smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1c(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C 3586046 LZIHBCIPHSHMOU-UHFFFAOYSA-N 447.451 1.527 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCCc2ccc(Cl)cc2)cc1C 9284685 OSTMWKPXWCQCHC-UHFFFAOYSA-N 437.949 1.710 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(=O)Nc3ccncc3)C2)cc1 9344594 GFZDYYITHCLYJV-MRXNPFEDSA-N 446.529 1.636 0 40 IDAB O=C(c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)N1CCN(c2ccccc2)CC1 12029509 QOGCZTVILYKQDX-FQEVSTJZSA-N 448.566 1.610 0 40 IDAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)c2cncc(O)c2)CC1 12133272 LVADFRMBCLQKAQ-UHFFFAOYSA-N 431.518 1.601 0 40 IDAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(CN2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 12818849 WSUHYJQBKAOVNX-QAPCUYQASA-N 436.530 1.390 0 40 IDAB Cn1c(-c2cccnc2)nn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=S 13070370 UULFCNOPMKZOQL-UHFFFAOYSA-N 430.559 1.977 0 40 IDAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 13101010 CSSLVFJPJKXQNN-UHFFFAOYSA-N 425.363 1.751 0 40 IDAB Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc3c(c2)OCO3)ccc1F 13371840 LTCZEPLJBFCOEQ-LPHOPBHVSA-N 441.502 1.592 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccco1 17094832 MUYOSAHYGNGVIT-OALUTQOASA-N 426.473 1.817 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccccc1OC 18156314 SJESSGVYNYILGY-WOJBJXKFSA-N 437.500 1.619 0 40 IDAB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccc2c(c1)OCO2 19541830 SELVPEPSCNOQEZ-UHFFFAOYSA-N 447.513 1.507 0 40 IDAB Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCN(CCO)CC1 19999873 SCTGIRJMRGPNOR-UHFFFAOYSA-N 428.514 1.197 0 40 IDAB Cc1ccccc1N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O 21936089 OAMRRNFILZMCFK-UHFFFAOYSA-N 431.558 1.910 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 22228059 IWEIDESOBOPOAD-HZPDHXFCSA-N 425.551 1.918 0 40 IDAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)c1 22411195 NOORHGSQNCFPQA-UHFFFAOYSA-N 437.421 1.427 0 40 IDAB Cc1cccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 22829404 FNIYBBBXZQVQQK-UHFFFAOYSA-N 444.601 1.944 0 40 IDAB CN(CC(=O)N[C@@H]1CCCc2c1cnn2C)S(=O)(=O)c1ccc2c(c1)OCCCO2 31593846 BSEFPGKQZJMICX-MRXNPFEDSA-N 434.518 1.396 0 40 IDAB COc1cc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC 32106570 ZEPQLEBGRBXMOB-CQSZACIVSA-N 427.457 1.820 0 40 IDAB Cc1oc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 40142169 FDSSZSQHDHGEQD-UHFFFAOYSA-N 445.541 1.900 0 40 IDAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(N(C)C)cc4)cnc32)c1 40478115 TVDUKEMQAIWXDY-UHFFFAOYSA-N 433.472 1.750 0 40 IDAB COC(=O)[C@H](CNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)Cc1ccc(F)cc1 48302606 PMTOXNFXZUNXHI-INIZCTEOSA-N 433.480 1.871 0 40 IDAB CCCCS(=O)(=O)N1CCC(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)CC1 72305122 GQFQBFGRANRFIK-IBGZPJMESA-N 443.610 1.458 0 40 IDAB O=C(N[C@@H](CO)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 95476398 RMNFUWQGSZPCEF-WBVHZDCISA-N 446.554 1.942 0 40 IDAB COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(O)nc2ccccn2c1=O 96115525 UFGMRBODQXDWBN-HNNXBMFYSA-N 435.436 1.956 0 40 IDAB biogenic O=C1c2nn(Cc3noc(-c4cccs4)n3)c(=O)n2CCN1Cc1ccccc1F 98213054 HLYAFWGQDAFMIV-UHFFFAOYSA-N 426.433 2.000 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)C1 219268469 SHWVOQACJKTZQQ-CYBMUJFWSA-N 427.914 1.525 0 40 IDAB Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(C4CC4)[C@H](C(=O)NC4CCCC4)[C@@]34C=C[C@@]2(C)O4)no1 245227215 GIROLZLCWUZLJH-IPPWWJLBSA-N 440.500 1.683 0 40 IDAB CN1CCN(CCCNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3cccnc3N2)CC1 253596170 OBGJYBUURDAWIC-APNMAYFZSA-N 440.592 1.513 0 40 IDAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CN(C(=O)CN3CCOCC3)CCO2)n1 257312092 UMMJKHQTFLEFJM-FQEVSTJZSA-N 426.521 1.773 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl 408555413 XACULBICQIFTOS-JTQLQIEISA-N 447.922 1.302 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 575616591 SKXVTQSECPFLGY-UHFFFAOYSA-N 438.403 1.774 0 40 IDAB O=C(CSCc1cc(=O)n2ccsc2n1)N1CCN(Cc2cccc(F)c2)C(=O)C1 610203944 WLIZZHXHQVAFLG-UHFFFAOYSA-N 446.529 1.999 0 40 IDAB CC(C)CC(=O)N1CCCN(C)CCN(C(=O)Cn2cccnc2=O)Cc2ccccc21 643555132 USBMYZIXFHEGLJ-UHFFFAOYSA-N 439.560 1.987 0 40 IDAB CN1CCC2(CCN(CC(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)CC2)C1=O 683675511 ZOAPUWHFZCRCLF-UHFFFAOYSA-N 440.375 1.981 0 40 IDAB CC(C)C(=O)N1CC2(C1)[C@H](C(=O)N1CCN(C)CC1)c1ccccc1C(=O)N2C(C)C 1549174375 ANGZPVDDXFWBTM-FQEVSTJZSA-N 426.561 1.645 0 40 IDAB CCCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2c1c(=O)n(C)c(=O)n2C 928663 VKSKRDDIVGSGIF-UHFFFAOYSA-N 430.534 1.641 0 40 IDAB Cc1cc(NC(=O)COC(=O)/C=C/c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)no1 3376279 QPRNFMVEQPDBJG-AAOUONPWSA-N 442.881 1.696 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)CCSc2nc(Cl)nc3nc[nH]c23)cc1 8992705 BXNRERKJVXYYRE-UHFFFAOYSA-N 426.911 1.452 0 40 IDAB NC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCCC1 9378063 HROPKPKCXNHESO-INIZCTEOSA-N 439.534 1.209 0 40 IDAB CCc1ccc(NC(SCC(=O)NCCOC)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9974221 UZAXDXGTMURCEJ-UHFFFAOYSA-N 434.518 1.419 0 40 IDAB O=C(NCc1ccncc1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 10219894 NSTCBMNDGOJGBG-UHFFFAOYSA-N 445.888 1.604 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)NCc1ccccc1 13038211 MVZJJKMLRFUVGO-UHFFFAOYSA-N 445.541 1.471 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)/C=C/c2nc3ccccc3s2)cc1 13059294 NMCBVJIYJFUJKA-MDZDMXLPSA-N 445.522 1.859 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O 13098117 ROTKDYMXIFJLOU-JOCHJYFZSA-N 442.541 1.559 0 40 IDAB COCCNC(=O)[C@@H](c1ccncc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13509273 ISSIKFQWXIBZQG-JOCHJYFZSA-N 448.483 1.952 0 40 IDAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 14023023 GEEKEFFUHMNCLW-INIZCTEOSA-N 437.497 1.084 0 40 IDAB Cc1cc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)n1-c1nccs1 14172226 ILGGFIGFFKAECJ-UHFFFAOYSA-N 425.532 1.948 0 40 IDAB O=C(CCc1cc(Cl)no1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19292225 GOEKTHQRTYLJCX-ZDUSSCGKSA-N 445.907 1.655 0 40 IDAB C[C@]12CN(CCCN3C(=O)c4ccccc4C3=O)C[C@H]1C(=O)Nc1ccccc1C(=O)N2 19576351 IVARYFCRDHQUFG-UUOWRZLLSA-N 432.480 1.745 0 40 IDAB CNC(=O)c1cn(C)nc1CC1CCN(C(=O)[C@@H](c2ccccc2)N2CCOCC2)CC1 19756369 OCTRTKLSLMGYBC-JOCHJYFZSA-N 439.560 1.634 0 40 IDAB O=C(Cn1cccn1)N1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19762166 PCXDIYSSJJAWKP-OAQYLSRUSA-N 435.484 1.504 0 40 IDAB Cc1nc([C@H]2CCCN(C(=O)CCC(N)=O)C2)ncc1C(=O)NCc1ccc(F)cc1 19765490 NOTAMAZLIMRPMW-INIZCTEOSA-N 427.480 1.826 0 40 IDAB CCOc1ccccc1-n1c(=O)[nH]c(O)c([C@@H]2NCCc3cc(OC)c(OC)cc32)c1=O 20533319 WMAYRRXFEDSKDT-HXUWFJFHSA-N 439.468 1.882 0 40 IDAB CN(CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccc(Cl)nn1 31911647 OYXVKVSSNIGUQV-UHFFFAOYSA-N 429.955 1.597 0 40 IDAB COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NCc4ccccn4)CN32)cc1 35442267 AAFNATCRUDPMHW-VWPQPMDRSA-N 437.544 1.218 0 40 IDAB biogenic,in-vitro O=C(Nc1cccnc1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 36366696 JNCCWRLONUEMOL-OAHLLOKOSA-N 430.486 1.094 0 40 IDAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 72394895 RSBYMKVOJDFEBD-QAPCUYQASA-N 425.485 1.885 0 40 IDAB O=C(NCc1ccnc(N2CCCC2)c1)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96124027 WKFZLVJRXLWAKE-SFHVURJKSA-N 433.520 1.585 0 40 IDAB O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)NCc1ccc(Cl)cc1 98213097 DNGXINVYTACEJI-UHFFFAOYSA-N 443.866 1.810 0 40 IDAB O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCCN2CCCC2=O)CC1 101460756 LQNGORHVBWRQRR-PUZFROQSSA-N 442.560 1.468 0 40 IDAB CN(C[C@@H]1CCCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1)C(=O)OC(C)(C)C 108088911 CQDACPNKCUZPBG-INSJMTBZSA-N 435.521 1.254 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 216371417 IJVRSURBTCENDM-HNNXBMFYSA-N 448.511 1.872 0 40 IDAB CCn1c(=O)oc2cc(S(=O)(=O)NCCNS(=O)(=O)c3ccc(C)cc3)ccc21 223031783 BQJFMXQJSSRFHO-UHFFFAOYSA-N 439.515 1.180 0 40 IDAB COc1ccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c(OC)c1 224987475 AWQIJWRFAKZZGV-UHFFFAOYSA-N 449.529 1.945 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 225201097 RWDDYPUPYIJHBI-CQSZACIVSA-N 439.484 1.894 0 40 IDAB COc1ccc(OC)c(CCN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 230077022 SPWCARZIVZOXHP-WOJBJXKFSA-N 430.526 1.761 0 40 IDAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3nc4cc(Cl)ccc4n3C)CC2)OC[C@]1(C)O 257315924 VDGTVJXKRXPKDM-PXNSSMCTSA-N 434.924 1.878 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3nc(C)n[nH]3)C2)cc1 260752200 XSMWEDCOSZAOAW-AWEZNQCLSA-N 439.563 1.431 0 40 IDAB COc1ccccc1C1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCCCC1 559878131 WPYFPWZLNJTXCX-IBGZPJMESA-N 429.561 1.946 0 40 IDAB O=C(C[C@H]1C[C@H]2O[C@H](CNC(=O)Nc3cccnc3)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 604381760 NGJLGLUGBUZTAS-VLFNSIGCSA-N 444.463 1.335 0 40 IDAB biogenic,in-vitro COc1cc(C)c(S(=O)(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)cc1C 1888930588 NKAIVRVHWXCQFS-HOTGVXAUSA-N 428.518 1.507 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccc(F)cc1 1873269 DNHVPMCSWWUSHB-IBGZPJMESA-N 448.332 1.805 0 40 IDAB Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(=O)O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 2130498 FKWBHSUGFQMCEU-NARGUJOISA-N 433.464 1.780 0 40 IDAB biogenic CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(F)cc2)c(=O)c3=O)cc1 8849402 MJCRZUIYOHSOHI-UHFFFAOYSA-N 425.420 1.733 0 40 IDAB CCOc1ccccc1-n1nnnc1SCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 9173339 RVSKXEPZVIHFGP-CYBMUJFWSA-N 425.536 1.189 0 40 IDAB Nc1nc(SCC(=O)NCc2ccco2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 9518205 QLGMVCZNQAHWPG-UHFFFAOYSA-N 435.412 1.884 0 40 IDAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1c(C)cc(C)[nH]c1=O 10228514 RNEXEXCQZZVEEE-QGZVFWFLSA-N 430.530 1.905 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1C 10274155 ZSUJDYRHKBJHPF-KRWDZBQOSA-N 441.532 1.481 0 40 IDAB COC(=O)c1cccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1 11906057 HKDFWGIQGKMBGR-UHFFFAOYSA-N 438.483 1.649 0 40 IDAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 13000702 IQIJLGHMYMVOQU-HSZRJFAPSA-N 449.419 1.352 0 40 IDAB O=C1NC(=S)NC(=O)C12[C@H](c1ccc(F)cc1)NC(=S)N[C@@H]2c1ccc(F)cc1 13110831 UDWDDKIXDYGXST-OKILXGFUSA-N 432.477 1.742 0 40 IDAB CC[C@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C(=O)O 13607779 UUSYMCSCYXKOAE-UGSOOPFHSA-N 439.534 1.661 0 40 IDAB CCn1cc(C(=O)NCCCCCC(=O)NCCN(C)C)c(=O)c2cc3c(cc21)OCO3 13629716 RTRMJYVLRHWWTL-UHFFFAOYSA-N 444.532 1.718 0 40 IDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 14129252 RLWFHUSIQTXCSI-HNNXBMFYSA-N 433.486 1.288 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 14248199 IEJYNBDGMVLCIW-UHFFFAOYSA-N 437.543 1.439 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 15391584 FNEFWVWVNHWZNZ-ZDUSSCGKSA-N 434.470 1.559 0 40 IDAB C[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N1CCN(c2ccccn2)CC1 19077477 NJXRMKHOTPZFEZ-CYBMUJFWSA-N 432.531 1.102 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccccc2)cc1OC 19589736 RRUXSVNGAYQZMP-UHFFFAOYSA-N 433.530 1.673 0 40 IDAB Cn1ccnc1C(=O)N1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19759197 QADMFQQOCJCZPJ-FQEVSTJZSA-N 435.484 1.654 0 40 IDAB COc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)NCc1ccccc1 19938171 QOJILOSCEFPJID-UHFFFAOYSA-N 433.530 1.236 0 40 IDAB COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O 20467248 OYVFQZISHDIOIX-ORZDUAMFSA-N 432.565 1.797 0 40 IDAB biogenic,in-vitro COc1cc(C(=O)NCC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc(OC)c1OC 23100444 OVEOMLTZVHSGDZ-UHFFFAOYSA-N 441.484 1.732 0 40 IDAB COC(=O)C1CCN(C(=O)Cn2ncc(Br)c(Br)c2=O)CC1 23558035 PVQPTPCXIUTCFA-UHFFFAOYSA-N 437.088 1.180 0 40 IDAB O=C(CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)NCCc1c[nH]c2ccccc12 35388159 RMFRGNAYHWVIKN-HSZRJFAPSA-N 448.523 1.811 0 40 IDAB O=C(NCc1cccnc1-n1cncn1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 40108916 MNZIANZTJWUMJI-GOSISDBHSA-N 426.502 1.522 0 40 IDAB O=C1N[C@@H](CC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccc21 72338788 BRYDLBSXOGWVGW-GHTZIAJQSA-N 440.525 1.830 0 40 IDAB CS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3Cc4cnc(N5CCOCC5)nc4[C@H]3C2)cc1 72342357 VAJUQAUUGVXNGN-MJGOQNOKSA-N 442.541 1.058 0 40 IDAB CC(C)NC(=O)CSc1ccccc1C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 95430112 WDPDZTQQUCOWPI-HNNXBMFYSA-N 427.592 1.846 0 40 IDAB CN(C)C(=O)CN1[C@H]2CCN(C(=O)C3CCCC3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263942 ONNQTVDQOUKMFF-ROUUACIJSA-N 449.573 1.708 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccc5c(c4)OCO5)no3)C2=O)cc1 101274909 BVSFBAGGHJTHRS-MSOLQXFVSA-N 448.395 1.967 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 408596926 VCCLNMMTDGRNPV-GFCCVEGCSA-N 432.926 1.817 0 40 IDAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCCN2CCOCC2)cc1 408709725 GLUBTVWPYYZNDA-UHFFFAOYSA-N 438.528 1.702 0 40 IDAB O=S1(=O)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cccc3cccnc23)[C@@H](O)C1 575426024 KYPFHWXKYCFZBU-MSOLQXFVSA-N 432.523 1.584 0 40 IDAB O=C(NC1CS(=O)(=O)C1)[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 585101880 HUJGXYLLTNFHCJ-HXUWFJFHSA-N 444.557 1.014 0 40 IDAB CC(=O)N[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 677996316 JOFZVVDXGARNJR-OAHLLOKOSA-N 437.905 1.460 0 40 IDAB NC(=O)c1c(NC(=O)CSc2ncnc3c2cnn3CCO)sc2c1CCCC2 1891279 OQTIDSPBHAUGGS-UHFFFAOYSA-N 432.531 1.589 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(Cl)cc3)CC2)cc1 3408267 SJYXSHXWVVNWAO-UHFFFAOYSA-N 435.933 1.911 0 40 IDAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2nc(C)no2)c(=O)c2ccccc21 8593634 WKPVILRTKGEERV-UHFFFAOYSA-N 435.440 1.940 0 40 IDAB C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OCO2 9415815 SIDCRQDCCKZEOJ-NEPJUHHUSA-N 438.531 1.640 0 40 IDAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)CC2=O)c1 12389967 WCPYTVBMQWXLOW-CQSZACIVSA-N 431.470 1.512 0 40 IDAB CC(C)c1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 12910371 AJKYHJZJBFVABK-UHFFFAOYSA-N 429.542 1.903 0 40 IDAB Cc1cccc([C@H]2N=C(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)N=C(N)N2)c1 13578879 FAEZBHSYDCFKNR-MRXNPFEDSA-N 432.531 1.287 0 40 IDAB CC1CCN(C(=O)[C@H](C)OC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)CC1 14157200 JMEIOKYSEGJZCO-MAUKXSAKSA-N 435.546 1.940 0 40 IDAB Cc1nn(C)cc1[C@H](C)NC(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O 19751402 WIOGVOJHJINCFP-AWEZNQCLSA-N 425.464 1.837 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1OC 20005214 KZALSKQZWDPAPS-HKUYNNGSSA-N 448.541 1.889 0 40 IDAB COc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c(OC)c1OC 20244438 FWMDZVGLBHPEBJ-UHFFFAOYSA-N 437.518 1.885 0 40 IDAB Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 20674122 JAXTVZGJABUQAE-LBPRGKRZSA-N 436.394 1.979 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCCO2 32102490 SDKATICATBGEBK-IFIJOSMWSA-N 425.507 1.297 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2nccn2C(F)F)CC1 32855736 VURDFWWAIGAODA-UHFFFAOYSA-N 428.461 1.946 0 40 IDAB COc1ccc(CCN(Cc2cnn(C)c2)S(=O)(=O)c2cn(C)nc2C)cc1OC 36615262 MUNZDIZINBIYNY-UHFFFAOYSA-N 433.534 1.913 0 40 IDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)c1nc(N2CCCCC2)ncc1Cl 40142104 KIHXFBGYZNNGEZ-UHFFFAOYSA-N 437.953 1.970 0 40 IDAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)C3CCN(S(C)(=O)=O)CC3)n2)cc1 42379573 HWIBNLOIXALNSC-UHFFFAOYSA-N 448.545 1.097 0 40 IDAB O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1nnc([C@@H]2CCCO2)s1 44890648 OATRMLNFIAGIKV-INIZCTEOSA-N 430.534 1.856 0 40 IDAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(-n3cnnn3)cc2)C1=O 58309315 QHTULMSXPWENIR-NRFANRHFSA-N 435.444 1.467 0 40 IDAB CCOCCCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 96012251 WYTAHNJXDIILJF-AWEZNQCLSA-N 439.456 1.161 0 40 IDAB CN1CCN(CCNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3cccnc3N2)CC1 100208310 SDDDCBPFOZNGQF-VIRUWPMXSA-N 426.565 1.123 0 40 IDAB CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(C)cc1C 101170395 SNSYWTDXYZISJL-ZCNNSNEGSA-N 437.445 1.600 0 40 IDAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCCN2CCOCC2)s1 222970543 PAYWGAMSCIRZRK-UHFFFAOYSA-N 425.536 1.099 0 40 IDAB C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 223858446 LQCNMAUDXBDBPZ-CQSZACIVSA-N 439.559 1.824 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)s1 225237878 WHLXBASQFFIHEJ-LLVKDONJSA-N 439.519 1.596 0 40 IDAB CN1CCN([C@H]2CC[C@](CNC(=O)CN3CCCC3)(c3ccccc3)CC[C@@H]2O)CC1 257268897 MNRVHBSYSBPWSH-LSQMVHIFSA-N 428.621 1.687 0 40 IDAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCN1CCOCC1 408621590 OUFAKVMFEIQQKO-UHFFFAOYSA-N 435.521 1.465 0 40 IDAB COCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408822706 SNCDXRJDVTXAFG-UHFFFAOYSA-N 438.502 1.670 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 409393772 XZDQCIYWKNHQMQ-LLVKDONJSA-N 438.333 1.961 0 40 IDAB Cc1cc(C2CCN(C(=O)CCC(=O)Nc3ccc4c(n3)n(C)c(=O)n4C)CC2)n[nH]1 544815825 ABTMFRBUTVKWKV-UHFFFAOYSA-N 425.493 1.428 0 40 IDAB O=c1ccc(-c2ccncc2)nn1CC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 585606381 WSGMMGUYOMMAJF-UHFFFAOYSA-N 440.481 1.397 0 40 IDAB C[C@@]1([C@H]2CCCN(C(=O)CCSCc3nc(O)c4ccccc4n3)C2)NC(=O)NC1=O 610659349 OGRODXYAZRQNFX-ZSEKCTLFSA-N 443.529 1.795 0 40 IDAB O=C(CN1CCOCC1)N1CCCCC2(CO)CCN(CC2)Cc2ccccc2OCC1 643574949 CZGPFRJLORLMAC-UHFFFAOYSA-N 445.604 1.985 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cccc(F)c5)C[C@H]4C3)ncnc21 1888930528 LQXULKWQUXNLPC-IYBDPMFKSA-N 430.509 1.883 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](Nc2cccc(C)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 823409 GMHYNAOFGRHEHB-FCMAGTKHSA-N 437.445 1.490 0 40 IDAB COc1ccc(NC(=O)CNC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 6232668 YZQQLTKAYSDCTD-MUDKKEKZSA-N 436.461 1.146 0 40 IDAB CCOC(=O)c1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCOC)c(=O)n2C)cc1 8724518 QMHZQRLPVCIKGT-CQSZACIVSA-N 441.488 1.508 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@@H]1C 9315392 DCHCJBVQAHMQPQ-HCVBEMKVSA-N 433.505 1.381 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 9388930 UEWZFNUGYHGAFQ-UHFFFAOYSA-N 427.504 1.282 0 40 IDAB CC(C)N(C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(C)C 9519781 YIEPXJBLZMFKBR-UHFFFAOYSA-N 449.573 1.919 0 40 IDAB CC(C)CCNC(=O)NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 9961234 SDJIPCAWPHPOQN-UHFFFAOYSA-N 430.552 1.067 0 40 IDAB O=C1CCCN1Cc1cccc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 12795991 GMPNVOZIGFFLGD-JOCHJYFZSA-N 449.507 1.933 0 40 IDAB Cc1ccc(N2C(=O)C(=O)N(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 14200699 FPBLKAHCDPUISE-QGZVFWFLSA-N 447.513 1.249 0 40 IDAB COc1cc(-c2nnc(SCC(=O)O[C@@H]3CCS(=O)(=O)C3)o2)cc(OC)c1OC 15850541 HEPRBZXKFKFQPF-LLVKDONJSA-N 444.487 1.585 0 40 IDAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCCN3CCCC3)CC1)NC2=O 19219589 AIUODJDXHFRTNV-SBUREZEXSA-N 427.549 1.460 0 40 IDAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)c1 19234429 DXBWKQROONCOJC-UHFFFAOYSA-N 425.514 1.937 0 40 IDAB O=C(c1cc([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)no1)N1CCC(O)CC1 19331074 AUMBRNQUXKSAGU-CQSZACIVSA-N 437.493 1.979 0 40 IDAB O=C(c1cnc(N2CCOCC2)nc1CCNS(=O)(=O)c1ccccc1)N1CCCC1 19697275 MODQRJPHHUAJIX-UHFFFAOYSA-N 445.545 1.070 0 40 IDAB COCCC(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699455 LTIOFGNUZBYULE-UHFFFAOYSA-N 428.533 1.601 0 40 IDAB Nc1nc(C2CCN(C(=O)COC[C@H]3CCCCO3)CC2)ccc1C(=O)N1CCOCC1 19765988 JUMHJAUKOQSMNL-GOSISDBHSA-N 446.548 1.428 0 40 IDAB COC(=O)c1c(NC(=O)CN2CCN([C@H](C)C(=O)NC3CC3)CC2)sc2c1CCC2 22194578 GCFGWHDYHVHHOG-CYBMUJFWSA-N 434.562 1.247 0 40 IDAB COc1ccc(C(=O)N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)CC2)cc1 23056883 MRGVRJFKVOQKTP-MWTRTKDXSA-N 442.516 1.480 0 40 IDAB CC(=O)OC1[C@@H](OC(C)=O)C(=O)N(c2ccccc2C(F)(F)F)C(=O)[C@@H]1OC(C)=O 28539518 SRFRFBMTKZZFFR-HUUCEWRRSA-N 431.319 1.374 0 40 IDAB CCn1c(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)nc2c(C)nn(C)c2c1=O 28556836 PYCFLYPRPGTUNI-UHFFFAOYSA-N 440.504 1.438 0 40 IDAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCNC(N)=O)C2=O)cc1OC 33497321 HPHFYXCWWRJKDS-RVDMUPIBSA-N 436.490 1.305 0 40 IDAB C[C@@H]1CC(=O)Nc2c1c(NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)nn2C 35597805 NSMZOEJODXQQAY-GFCCVEGCSA-N 433.490 1.139 0 40 IDAB O=C(Nc1ccc(O)cc1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 36356914 QVJCIKAJSSLYGY-HNNXBMFYSA-N 445.497 1.405 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3[S@@](C)=O)c2)CC1 78899474 WEMFIQKTNNGLQG-LJAQVGFWSA-N 449.554 1.529 0 40 IDAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 219269182 ZLCZPVWNOOSAHR-CYBMUJFWSA-N 441.941 1.867 0 40 IDAB CN(c1ccc(OCC(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1)S(C)(=O)=O 224609371 AVZRZEVPVMMBLY-UHFFFAOYSA-N 445.541 1.900 0 40 IDAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 247877367 ATIUPTXTUKAXII-AIANPOQGSA-N 436.578 1.655 0 40 IDAB COc1ccc(OC)c(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 408713044 HYLMUCZVRPQFPS-UHFFFAOYSA-N 447.513 1.743 0 40 IDAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(C(OC(C)=O)OC(C)=O)O1 409047292 OCDDWNQAYFTUGE-UIVXKWKOSA-N 435.816 1.614 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)c1 553414680 HNRRPOQGRUHDJI-QGZVFWFLSA-N 437.949 1.838 0 40 IDAB COCCNC(=O)[C@H]1C[C@@H](NCc2cccc(OC)c2)[C@H](c2cnc(C(C)C)[nH]2)[C@@H]1O 2332241958 VICQYYMHFFDNBM-UYWIDEMCSA-N 430.549 1.927 0 40 IDAB O=C(Nc1ccc(F)cc1F)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243115 KFZZSQFAWHDSQN-ZDUSSCGKSA-N 430.408 1.401 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)O 2116862 HDOJBLNQEMFBRY-ODXCJYRJSA-N 432.473 1.693 0 40 IDAB biogenic CCc1cccc(OC[C@@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 4370907 MAKSUMATINUOPC-INIZCTEOSA-N 427.505 1.416 0 40 IDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C 4411350 GPKHYEGVIIWOKA-ARFHVFGLSA-N 426.558 1.543 0 40 IDAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCN(C(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 5347963 MGYIOASIVWQLEQ-HOTGVXAUSA-N 428.530 1.199 0 40 IDAB Cc1cccc(OC[C@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 7425896 IWNXKUMTHIOTMJ-JKSUJKDBSA-N 427.505 1.408 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)Cc2c(F)cccc2Cl)cc1 9254764 WXOXODFHCOXEQY-UHFFFAOYSA-N 428.869 1.571 0 40 IDAB O=C(c1cccc(-c2nn[nH]n2)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9596275 MIYQSLOHXFFADD-UHFFFAOYSA-N 438.513 1.502 0 40 IDAB Nc1nnnn1Cc1nnc(S(=O)(=O)Cc2ccccc2Cl)n1-c1ccccc1 12377099 KEYXSMCRBBEZJR-UHFFFAOYSA-N 430.881 1.512 0 40 IDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)N1CCc2ccccc2C1 13149141 XOOAWIPPTVRCHT-UHFFFAOYSA-N 427.482 1.243 0 40 IDAB COc1ccc(N([C@@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1Cl 13679680 JIKRGRTUENZQEK-AWEZNQCLSA-N 433.958 1.342 0 40 IDAB O=C(Nc1cccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1)c1cccs1 14021071 KYAZWGNKKRZBCP-QGZVFWFLSA-N 433.555 1.945 0 40 IDAB COC(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc(C(=O)OC)c1 14797093 NJGVUVSWJQMTPF-NSHDSACASA-N 438.433 1.704 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc(C(C)=O)cc4)c(=O)c3s2)CC1 15863934 YPBKWSMIUAYBPS-UHFFFAOYSA-N 440.529 1.836 0 40 IDAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCOCC1 19499595 CDJLYRJUZOXDAG-SFHVURJKSA-N 426.477 1.810 0 40 IDAB COc1ccc([C@H](N2CCOCC2)P(=O)(N2CCOCC2)N2CCOCC2)cc1 20030256 PXAMXYGYXPEGOM-HXUWFJFHSA-N 425.466 1.884 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2nnc(COc3ccc(F)cc3)n2N)CC1 21732222 KSYPAGUYLKVUIL-UHFFFAOYSA-N 438.485 1.103 0 40 IDAB COC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)sc2c1CCCC2 22521638 SZQPBRQTNCDVRV-LBPRGKRZSA-N 429.564 1.870 0 40 IDAB COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)NC[C@@H]1COc2ccccc2O1 23223267 XDKUQCXEOZLQPQ-MRXNPFEDSA-N 429.425 1.776 0 40 IDAB C[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 23249307 HTAPJCQELODOCX-JXFKEZNVSA-N 432.546 1.324 0 40 IDAB CCOC(=O)C1=C(CSc2nnc(CCC(N)=O)n2CC(C)C)NC(=O)N[C@H]1CC 23329660 RYFOJQQTEDSYID-LBPRGKRZSA-N 438.554 1.353 0 40 IDAB O=C(c1ccccc1N1CCCC1=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23702426 SCOWKBDSFJPGSS-UHFFFAOYSA-N 437.525 1.841 0 40 IDAB NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 25607234 NMTSAGMJNGXCQJ-QZTJIDSGSA-N 436.940 1.027 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26935381 SFAYIMIKCDWBHU-HNNXBMFYSA-N 449.504 1.566 0 40 IDAB COCCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32994507 FQUGXGGNYIVFHI-UHFFFAOYSA-N 443.504 1.195 0 40 IDAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3cc(F)c(F)cc3Cl)[C@H]2SC1 33538251 NSSOSVYNXHCEDG-BLLLJJGKSA-N 446.815 1.534 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 33544010 WLPGKGMUPYCTLI-DWKHYPNZSA-N 438.527 1.767 0 40 IDAB CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 40150764 LXIWESBHSZRMGY-QGZVFWFLSA-N 431.580 1.778 0 40 IDAB O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)[C@@H]1CCS(=O)(=O)C1 48365774 ONAHPYBCEOQWIP-LLVKDONJSA-N 429.545 1.454 0 40 IDAB Cn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 56966681 GQJMGRUOVCNKIF-UHFFFAOYSA-N 444.539 1.804 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70924505 WDPIIZVZCGTALO-UHFFFAOYSA-N 439.559 1.778 0 40 IDAB O=C(C[C@H](CN1CCN(Cc2cccnc2)CC1)C(=O)O)Nc1ccc2c(c1)OCO2 72405252 YHYZLQMQKNHZFQ-QGZVFWFLSA-N 426.473 1.658 0 40 IDAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CCO)c2ccccc2)c1 89661624 SLSWFFOITLMDST-SFHVURJKSA-N 433.530 1.942 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 95115748 XNXNWJFYULHZJU-VWEIPLKFSA-N 447.491 1.589 0 40 IDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2c(C)nc3n2CCCC3)CC1 95456599 FXHCCQJCLOLXHM-GOSISDBHSA-N 437.610 1.376 0 40 IDAB O=c1cc(CO)oc(C(c2cccc(OC(F)F)c2)c2oc(CO)cc(=O)c2O)c1O 95480920 MVTSAPNFAKERQI-UHFFFAOYSA-N 438.335 1.770 0 40 IDAB O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 105190757 CZWYSKQUGLIDLE-IPJFTJQSSA-N 441.553 1.412 0 40 IDAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)N(C)S(=O)(=O)N1 208532096 MTDFYNOINMSZHE-HUUCEWRRSA-N 447.439 1.845 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222390860 OLLJUZHQVINXRA-INIZCTEOSA-N 443.525 1.693 0 40 IDAB COc1ccc(OCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 224342179 YTZITCTXAFWDMF-UHFFFAOYSA-N 425.482 1.642 0 40 IDAB C[C@H](C(=O)N1CCN2CCC[C@H]2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 253372996 HKGZVATUYKMFGZ-DGGJZMOXSA-N 425.533 1.246 0 40 IDAB Cc1ccccc1-c1cccc(C[C@H]2C(=O)N(C)CCN2C(=O)[C@H]2CCC(=O)NC(=O)N2)c1 257219373 DGOFRBJUXFHWRD-RTWAWAEBSA-N 448.523 1.862 0 40 IDAB CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 257324126 WNHBNSRHCOIDGW-DEOSSOPVSA-N 439.560 1.941 0 40 IDAB CCn1c(=O)oc2cc(NC(=O)CN3CCN(Cc4ccccc4)C[C@@H]3C(N)=O)ccc21 257331130 XRNBEANCNPBXOV-LJQANCHMSA-N 437.500 1.225 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1NC(=O)c1ccccc1F 408556797 JVQVMSACFOWTTF-UHFFFAOYSA-N 435.477 1.973 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 408596929 VCCLNMMTDGRNPV-LBPRGKRZSA-N 432.926 1.817 0 40 IDAB Cc1noc(C)c1C(=O)N1CCN2CCn3c(C(=O)NCC4CCCCC4)nnc3[C@@H]2C1 585109968 XSNDLHBIEWHCMP-KRWDZBQOSA-N 441.536 1.706 0 40 IDAB Cn1nccc1C(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 585282992 AKSDXNPYMVHLSD-QFIPXVFZSA-N 446.479 1.098 0 40 IDAB NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2[C@@H]3Cc4c(Br)cccc4[C@@H]32)cc1 1213318232 BMOYHTIMAUPDPS-VNQPRFMTSA-N 443.344 1.713 0 40 IDAB CC(C)CCNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 4893601 GSEFXLULJXVJJR-UHFFFAOYSA-N 425.551 1.856 0 40 IDAB COC(=O)[C@@H](C)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)C1CCCCC1 5398429 LBYZQCAHOUMEBB-BEFAXECRSA-N 447.507 1.737 0 40 IDAB biogenic,in-vitro Cc1cccc(C)c1Nc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1 9510287 JQXOQRAWAXFFNW-UHFFFAOYSA-N 432.531 1.853 0 40 IDAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1nonc1NC(C)=O 9877514 QUQRFDBLDIYKQY-UHFFFAOYSA-N 431.434 1.766 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc(Br)o2)cc1 10801228 LQLPLWSUYYNSLP-UHFFFAOYSA-N 431.264 1.205 0 40 IDAB O=C(NCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1)c1cccc(F)c1 12376816 AYYHIPSYVDQYRF-UHFFFAOYSA-N 432.433 1.342 0 40 IDAB CC1(C)NC(=O)N(CCC(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O 12802906 RDORYWHXAIKICU-KRWDZBQOSA-N 428.489 1.514 0 40 IDAB CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21)C(=O)O 12889949 MYOGPWORSRCWFR-FXAWDEMLSA-N 438.484 1.991 0 40 IDAB biogenic CCCCNS(=O)(=O)c1cccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 12905243 IIXSNLDYRVTXJT-UHFFFAOYSA-N 430.486 1.407 0 40 IDAB CCN(Cc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15330511 BYOYIYQGNLDEEU-UHFFFAOYSA-N 443.525 1.874 0 40 IDAB COc1cn(CC(=O)N2CCCc3ccccc32)c(CSc2nnnn2C)cc1=O 15883865 BACQVOMSWKYNCL-UHFFFAOYSA-N 426.502 1.652 0 40 IDAB COCCN1C[C@H](C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)CC2)CC1=O 19128467 YRXIXBRNYPUOLS-IXDOHACOSA-N 439.507 1.915 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1C=CCN1S(=O)(=O)c1cccc2nonc12 19345244 VDWBFSMBPNWQHF-CQSZACIVSA-N 428.426 1.197 0 40 IDAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)CNC(C)=O)nc32)c1 19698679 JYCSSXXZPFQYBB-UHFFFAOYSA-N 425.489 1.368 0 40 IDAB O=C(NCCO)c1cc([C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)nc2ccccc12 19761375 LFIORZIEHUYJTD-MRXNPFEDSA-N 444.495 1.718 0 40 IDAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC 19991025 AZORFXVNRCKAPP-QHCPKHFHSA-N 426.469 1.801 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20460326 MKGULRRWLPQQJH-GOSISDBHSA-N 433.486 1.229 0 40 IDAB CCCCn1nc(C(=O)OCc2nc(N)nc(Nc3ccccc3OC)n2)ccc1=O 21736164 IQECZOHPYOZRCQ-UHFFFAOYSA-N 425.449 1.920 0 40 IDAB Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 23156357 OLIYNBKALVJYIK-NRFANRHFSA-N 449.548 1.992 0 40 IDAB O=C1CN(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cn2)CCN1 27264519 DWSUOMUHFWZDES-MRXNPFEDSA-N 425.464 1.648 0 40 IDAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1Cl)C(=O)NCCN1CCOCC1 32927488 WVWUOKQMPZTTTC-MAUKXSAKSA-N 431.986 1.790 0 40 IDAB O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 40088914 TVOCDMYCYJWPCC-GOSISDBHSA-N 425.514 1.984 0 40 IDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCNC(=O)C[C@@H]1c1ccccc1 48235420 XYJQGTFZYVPFPX-FOIQADDNSA-N 442.541 1.175 0 40 IDAB COc1cc2c(cc1OC)CN(Cc1c(O)c(=O)cc(CN3CCOCC3)n1C)CC2 85875695 GVDUASCJZCHSEM-UHFFFAOYSA-N 429.517 1.499 0 40 IDAB biogenic CC(=O)OC(OC(C)=O)[C@@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]12 100340442 PNMGKNIZLDIVSS-FHQLIMNDSA-N 427.409 1.545 0 40 IDAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 103673417 XLFMQWRYWBHHCP-BMFZPTHFSA-N 430.892 1.863 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 222459852 CWMVAFNMPBNCJB-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)c2ccccc2O1 226039983 KUJTVUMNKAHMTH-IBGZPJMESA-N 432.498 1.458 0 40 IDAB CS(=O)(=O)N1CCC[C@@H](c2nc(C(=O)NCCN3CCCCC3)c3ccccn23)C1 306128831 HLYINBUMIKPYOF-QGZVFWFLSA-N 433.578 1.689 0 40 IDAB Cc1cc(N2CC[C@](O)(CN(C)Cc3ccc(OCCN4CCOCC4)cc3)C2)ncn1 585271642 GKALAPXXBNZOPU-DEOSSOPVSA-N 441.576 1.569 0 40 IDAB CNC(=O)c1cccc([C@H]2CNCCN2CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1848354037 XYZYXAUISMJPJS-JOCHJYFZSA-N 439.535 1.480 0 40 IDAB C[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)OCC(=O)Nc1ccccc1F 3256523 SZHZKYIPYCTSQC-JTQLQIEISA-N 438.462 1.679 0 40 IDAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N3)cc1 3623585 YBTUXVJMISFPKI-IBGZPJMESA-N 445.357 1.369 0 40 IDAB COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc12 6177673 GGTLGDXXFXBLMI-UHFFFAOYSA-N 431.880 1.800 0 40 IDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 9203724 HJZJGNUXRCXQFE-CEXWTWQISA-N 426.469 1.187 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)CNC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3 9304073 FYIQJKBJDWEVII-CQSZACIVSA-N 428.489 1.080 0 40 IDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 9355948 WZRCDLPEIZROLC-QLDGJZPUSA-N 443.408 1.163 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccco1 9418414 MIEAOWDLYIVPHW-OALUTQOASA-N 426.473 1.817 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1nccs1 9483344 LYDNZRLPIFSTDF-GFCCVEGCSA-N 442.950 1.952 0 40 IDAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(Cl)cn1 9632770 KCHUPURDPRDWRL-UHFFFAOYSA-N 439.877 1.551 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccc(C)cc2)cc1 9806524 SYNZNCMFWNTPRF-GOSISDBHSA-N 445.541 1.589 0 40 IDAB CCOC(=O)Cn1c(C)cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc12 10233586 CUUKSMFSKYZAOX-UHFFFAOYSA-N 429.864 1.723 0 40 IDAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3cc(C)on3)[nH]c2=O)cc1 12033251 APRBUXYDCLFJAM-UHFFFAOYSA-N 430.446 1.640 0 40 IDAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12732144 ZMYJTQWUSPUIBD-UHFFFAOYSA-N 431.392 1.667 0 40 IDAB O=S1(=O)C[C@H](N2CCN(c3ccc(F)cc3)CC2)[C@@H](S(=O)(=O)c2cccs2)C1 13371163 UJQNVELIYRYOMU-IRXDYDNUSA-N 444.575 1.649 0 40 IDAB CCOC(=O)Cn1nnnc1[C@@H](CC)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 13496003 VPPFJXSDMBHYPS-LJQANCHMSA-N 442.520 1.722 0 40 IDAB COc1ccc(-c2cc(C(=O)N3CCN(C)CC3)n[nH]2)cc1S(=O)(=O)N1CCCC1 15860804 XVPBCUYBBMFHPR-UHFFFAOYSA-N 433.534 1.257 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)CN3CCC(C)CC3)C2)cnn1C 17094577 LGWUUUPUHWVZJA-SJLPKXTDSA-N 425.599 1.366 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCN3C(=O)Cc3ccccc3F)[nH]c2=O)C1 19572969 CEYSQHPPDGLLNA-KRWDZBQOSA-N 434.493 1.133 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCCN(Cc4ccsc4)C3)[nH]c(=O)c2C1 19583806 XEEWCKUBQFMJTC-HNNXBMFYSA-N 437.591 1.376 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1)NC1CC1 22932028 OIZKMYGZATVVCZ-QGZVFWFLSA-N 441.601 1.899 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1=O 23805968 VMYLKJIPEVLOBD-XMMPIXPASA-N 445.479 1.880 0 40 IDAB COCCCNC(=O)CN1CCN(CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)CC1 24781281 HDFPHSZWNNVPRZ-UHFFFAOYSA-N 446.527 1.029 0 40 IDAB CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1 40149821 YARKVDSOBWHZTC-KRWDZBQOSA-N 438.550 1.703 0 40 IDAB CCCS(=O)(=O)N1CCC(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)CC1 49462027 VTQQLXRLNISAFW-OAQYLSRUSA-N 437.606 1.936 0 40 IDAB O=C(CCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1nncs1 61720203 ZSTATSNJZFOYNM-UHFFFAOYSA-N 441.510 1.319 0 40 IDAB C[C@H]1CCCN(CCCNC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)C1 72326214 VPOWUNSYBKEPHO-SBUREZEXSA-N 442.564 1.184 0 40 IDAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(C[C@H]2CCCN(S(C)(=O)=O)C2)C1=O 79061924 PONUMTCXZYRIQD-VBKZILBWSA-N 437.518 1.287 0 40 IDAB COc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N2CCN(C)CC2)Cn2ccnc23)cc1 96263267 UBDJOCNECYRVGS-OAQYLSRUSA-N 439.560 1.556 0 40 IDAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 223530586 MHSUEOIORDAKOS-SFHVURJKSA-N 446.573 1.853 0 40 IDAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223573313 WFKCRQVGODJNKZ-INIZCTEOSA-N 443.525 1.693 0 40 IDAB COc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 223990262 TYIICXSIHMXNHP-UHFFFAOYSA-N 436.486 1.428 0 40 IDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 224353622 CWRUBVPGDDTDRK-UHFFFAOYSA-N 445.548 1.472 0 40 IDAB Cn1nc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)cc1CCOc1ccccc1F 257273833 NIKSVQFFPFBRFV-HXUWFJFHSA-N 438.525 1.895 0 40 IDAB COCCN1CCC[C@]2(CN(C(=O)c3ccnn3C)C[C@H]2c2ccnn2C(C)C)C1=O 306123633 ASQMIJFPBISZQG-HTAPYJJXSA-N 428.537 1.692 0 40 IDAB O=C1[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccccc1I 409281357 LHGDUYBCBRNCOE-KOFHJDLBSA-N 439.205 1.477 0 40 IDAB CSCC[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)n1c(O)nc2ccccc2c1=O 524734490 KEBGQDIQOFUGID-ZDUSSCGKSA-N 433.515 1.519 0 40 IDAB COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCOCC1 585262396 MSXQSOBJJNYVSF-YJMBLLCNSA-N 430.476 1.846 0 40 IDAB O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@@H](C3)O[C@@H]1C2 888085097 SOLUWJRYJLAZCX-XMZIXOGTSA-N 449.385 1.634 0 40 IDAB CCCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1c(C)cc(C)cc1C 4357317 KZPNEMJPRXVMHE-QGZVFWFLSA-N 425.551 1.381 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(OCC)cc2)n(C)c1=O 9156922 LEEMUBCAPKGXRK-UHFFFAOYSA-N 427.461 1.400 0 40 IDAB COCCNC(=O)CSc1nc(-c2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 9517526 BCSMNQFPPPNHPD-UHFFFAOYSA-N 449.920 1.202 0 40 IDAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9632472 JUGFXRWPYYFZRK-OAHLLOKOSA-N 436.461 1.416 0 40 IDAB O=C(CNS(=O)(=O)c1ccc(F)c(F)c1F)OCCCn1c(=O)[nH]c2ccccc21 10900321 CDUFILATZNEGMP-UHFFFAOYSA-N 443.403 1.659 0 40 IDAB CCC(=O)N1CCN(C(=O)c2cn(CCOC)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 11666205 CANQNSGFFYZHBM-UHFFFAOYSA-N 437.500 1.480 0 40 IDAB COc1ccc(NC(=O)CSc2nc(C3CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 11758107 SWLQIKBDIHFTEA-UHFFFAOYSA-N 427.486 1.644 0 40 IDAB NS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 12757512 WCRIIZBOURQDLA-UHFFFAOYSA-N 449.554 1.580 0 40 IDAB CCCCn1c(N)c(N(CCC)C(=O)c2nn(C)c(=O)c3ccccc23)c(=O)[nH]c1=O 13042481 KWVXUIQGQPHJEE-UHFFFAOYSA-N 426.477 1.223 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)C2=O 13114797 HKPOFGDVPSCHLX-LBKMDBTOSA-N 433.530 1.707 0 40 IDAB COc1ccccc1CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 13371506 AXDQKGBKIBADRS-HKUYNNGSSA-N 427.519 1.606 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 13555496 IZZPAUWVVUXEQB-GOEBONIOSA-N 439.468 1.598 0 40 IDAB Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)c3n[nH]c4ccccc34)CC2)c1 13842829 SDRXGNHEYPCPOG-UHFFFAOYSA-N 427.530 1.753 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)CC2)s1 15098474 YTGHLVCWCLRLHG-HNNXBMFYSA-N 448.570 1.737 0 40 IDAB CN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCN1CCOCC1 16742335 HYQFLYPUPITGTK-VWLOTQADSA-N 445.475 1.801 0 40 IDAB CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)on1 19452938 CDMNVTAEFJRCIX-UHFFFAOYSA-N 444.517 1.740 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccccn3)[nH]c(=O)c2C1 19520397 ZDMKPSNWGKAHIB-SFHVURJKSA-N 445.545 1.169 0 40 IDAB COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)c3ccc4c(c3)n(C)c(=O)n4C)n2)cc1 19574199 RZDGUCLOAZJIQJ-HNNXBMFYSA-N 447.495 1.928 0 40 IDAB O=C(CN1CCCC1)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702954 QUOWDCIFHAZTNT-QGZVFWFLSA-N 444.557 1.764 0 40 IDAB CNc1nc([C@@H]2CCCCN2C(=O)c2ccc(C)n(C)c2=O)nc2c1CCN(C(C)=O)C2 19708672 QMDUKLPICCPDGY-IBGZPJMESA-N 438.532 1.797 0 40 IDAB Cc1nc([C@H]2CCN(C(=O)Cc3ccc(N(C)C)cc3)C2)ncc1C(=O)N1CCOCC1 19757617 CBFOBVYDOFGDCM-IBGZPJMESA-N 437.544 1.882 0 40 IDAB Cc1nc(N)cc(CC2CCN(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)n1 19758908 GIUVHNGQWJGILF-UHFFFAOYSA-N 428.537 1.745 0 40 IDAB CNC(=O)CN1CCN(C(=O)c2cn(C(C)C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 23108712 GNSQOIKTKHZGQS-UHFFFAOYSA-N 436.516 1.224 0 40 IDAB CCOc1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 23325162 DRETZUFEKMHCDW-UHFFFAOYSA-N 440.500 1.725 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)cc1C 25606798 CNYKHWJPPNKXSN-OAQYLSRUSA-N 441.553 1.937 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1nnc2ccc(C(F)(F)F)cn12 32843008 CRLRXCQVBOEXDT-UHFFFAOYSA-N 429.380 1.334 0 40 IDAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 33414065 CZWYSKQUGLIDLE-GQAARTMKSA-N 441.553 1.412 0 40 IDAB CC(=O)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)C(C)C 36386041 OYWFYLRHWOZESH-NRFANRHFSA-N 437.606 1.956 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1cccc(Br)c1 67286194 OYNXGWXGLDUKJN-QGZVFWFLSA-N 437.338 1.868 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(C(=O)c3ccccc3)CC1)n2Cc1ccccc1 72260218 COSXXKGRTHTONV-UHFFFAOYSA-N 444.495 1.434 0 40 IDAB CN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 96262260 JVVHBTOOHMAFNA-LEWJYISDSA-N 440.569 1.825 0 40 IDAB O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 97163836 VKTYFABUADBNOK-VQHPVUNQSA-N 432.464 1.111 0 40 IDAB C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 105349112 BBRJAESPJYCZMT-BYWWRHNPSA-N 427.407 1.266 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1C 224325652 LZILJBGYXMYDNZ-UHFFFAOYSA-N 433.534 1.141 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253500143 XVGNADCCCZEHRJ-JRSUCEMESA-N 438.429 1.457 0 40 IDAB biogenic CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)COc3ccc(F)c(Cl)c3)[C@H]2O)CC1 257289598 PZJIFOONPDPPDG-QWFCFKBJSA-N 427.904 1.372 0 40 IDAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(C2CCN(S(C)(=O)=O)CC2)C1 585182356 DVCYTDDHRIZQPM-ZDUSSCGKSA-N 437.591 1.606 0 40 IDAB COc1cc(CNC[C@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN(C)C 585272965 NURBJADFASCLEZ-HSZRJFAPSA-N 444.580 1.223 0 40 IDAB C[C@@]1(c2cccc(CNC(=O)Nc3ccc(F)c(S(C)(=O)=O)c3)c2)NC(=O)NC1=O 1624844187 CGERZFPQWIUILG-IBGZPJMESA-N 434.449 1.606 0 40 IDAB COc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2snc(C(N)=O)c2N)cc1OC 6074324 UFEQBMBEAUVPHP-UHFFFAOYSA-N 435.506 1.403 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1 9671770 QMOUFDWJYOOQDK-QGZVFWFLSA-N 435.477 1.556 0 40 IDAB O=C(NCc1ccncc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 10219940 JDRUSHQNVLSPAW-UHFFFAOYSA-N 445.888 1.604 0 40 IDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 10758881 GOVAGBXSGVKAJC-TWWFPWMWSA-N 443.500 1.347 0 40 IDAB Cc1nc(C2CCN(C(=O)C[C@H]3SC(=O)N(C)C3=O)CC2)nc(N2CCOCC2)c1C 12142979 TWIWNBVJERBALU-MRXNPFEDSA-N 447.561 1.720 0 40 IDAB C[C@]1(NC(=O)CCCNC(=O)N2CCc3c([nH]c4ccccc34)C2)CCS(=O)(=O)C1 12391240 YHPNEVINJSSDSZ-NRFANRHFSA-N 432.546 1.709 0 40 IDAB C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccco1 12566964 RPWLZPVBEJNNCT-MRXNPFEDSA-N 449.529 1.625 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)C2=O 13114796 HKPOFGDVPSCHLX-FIWNRLKKSA-N 433.530 1.707 0 40 IDAB CC(C)(C)NC(=O)CN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 13503184 CZSYLCDSXDBVDH-HNNXBMFYSA-N 445.969 1.541 0 40 IDAB CN1CCN(C(=O)CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 14169171 PSJOKBYUJUCRFF-UHFFFAOYSA-N 432.528 1.839 0 40 IDAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1 19209739 IFWOVMLQJKTXSU-IBGZPJMESA-N 444.557 1.692 0 40 IDAB CC(C)S(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19451080 AZMNIRVMXVSWNK-GOSISDBHSA-N 445.545 1.629 0 40 IDAB COCCN1CCN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)CC1 19590937 XQFVXGUNYGSOAK-OAQYLSRUSA-N 438.532 1.163 0 40 IDAB Cc1noc(Cn2c(=O)c3cc4c(cc3n(CC(=O)Nc3ccccc3)c2=O)OCO4)n1 20936785 GPVYKXTZTUMUKX-UHFFFAOYSA-N 435.396 1.270 0 40 IDAB CSCC[C@@H](C(=O)OCC(=O)NC(=O)NCC(C)C)N1C(=O)c2ccccc2C1=O 20979651 HHBSDTWRYIHRJF-HNNXBMFYSA-N 435.502 1.429 0 40 IDAB CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)N3CCN(CCO)CC3)c(O)n2n1 22854635 KXRGIUDKKFNXFE-GOSISDBHSA-N 447.561 1.775 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)C(=O)N2CCN(C)CC2)cc1 22996731 YOLLIKLWLUGBMP-UHFFFAOYSA-N 444.557 1.670 0 40 IDAB CCn1c(CN2CCN(Cc3cc(C)no3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 27562947 RJQARROFVLDUMM-UHFFFAOYSA-N 446.577 1.921 0 40 IDAB O=C1N[C@H](CCc2ccccc2)C(=O)N1CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 29363308 VBCNOKUBNRNHOX-RBUKOAKNSA-N 447.557 1.498 0 40 IDAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 32873911 KSIWRYLPEPHZNB-CQSZACIVSA-N 439.472 1.929 0 40 IDAB CCCCN1C(=O)c2ccc(C(=O)OCC3=C(C(=O)OCC)[C@H](C)NC(=O)N3)cc2C1=O 32911132 RSCBQOMTZMJJER-LBPRGKRZSA-N 443.456 1.758 0 40 IDAB CN1CCN(C(=O)c2ccc(CNC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)cc2)CC1 40107864 GUSKBXLGYRVZAY-NRFANRHFSA-N 441.576 1.618 0 40 IDAB O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)NCc1cccc(C(F)(F)F)c1 49400030 NBUQGBACRATUQZ-UHFFFAOYSA-N 436.394 1.063 0 40 IDAB CC(C)COC[C@H](O)CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 84544426 DDIALFCTZFFXDS-LJQANCHMSA-N 426.579 1.944 0 40 IDAB Cc1nn2c(O)c3c(nc2c1-c1ccccc1)CN(C(=O)COCCN1CCCC1=O)C3 100215408 CJJHCHLUZMUQFJ-UHFFFAOYSA-N 435.484 1.892 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)[C@@H]3[C@H]4CCCC[C@H]43)C1)C2=O 248171379 SEVIJTKPJXZXAV-INDMIFKZSA-N 444.576 1.983 0 40 IDAB CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 575424736 WIMNBEASQBYJTJ-LJQANCHMSA-N 436.555 1.701 0 40 IDAB Cc1nc(C)n(CCC(=O)N2CCO[C@](COc3ccc(Cl)cc3)(CC(N)=O)C2)n1 585286665 PXYGWRJDEIOJMO-HXUWFJFHSA-N 435.912 1.490 0 40 IDAB NC(=O)[C@@H]1c2ccccc2CCN1CC1(CN2CCc3ccccc3[C@H]2C(N)=O)COC1 679854556 YZMPOWHUMICTNC-VXKWHMMOSA-N 434.540 1.172 0 40 IDAB CCOc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)cc1C 1888921928 CBVIPCHXYLDULV-IRXDYDNUSA-N 442.545 1.897 0 40 IDAB NC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)n2N)sc2c1CCCC2 3378381 YTMVXSNXRVZAMB-UHFFFAOYSA-N 429.531 1.824 0 40 IDAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 3415771 MLMDKJZCKMIELP-UHFFFAOYSA-N 447.513 1.427 0 40 IDAB COCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 6239032 JRJUXJDJHGGBIH-MRXNPFEDSA-N 433.530 1.801 0 40 IDAB C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)C1 6283179 LTXMAHFVECPGON-ZIAGYGMSSA-N 429.550 1.878 0 40 IDAB CCOC(=O)c1csc(NC(=O)CSc2nnnn2-c2ccc(C(=O)OC)cc2)n1 6600002 IZHZPGUEGTWJQI-UHFFFAOYSA-N 448.486 1.813 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](n2ccc3ccccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 8671622 LCOUBIHGTOPVKV-LLVBAIKDSA-N 447.440 1.897 0 40 IDAB O=C(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)NCc1ccco1 9155772 FDWLCNFCGSCMFP-UHFFFAOYSA-N 425.894 1.764 0 40 IDAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)N1CCCC1 9382067 SVLGLAMEYXMMJL-UHFFFAOYSA-N 446.920 1.603 0 40 IDAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9454982 ABWNLMPRKFKMAV-UHFFFAOYSA-N 447.561 1.970 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)nc1N 9467913 QWNNWXPSWFTGKH-UHFFFAOYSA-N 434.430 1.238 0 40 IDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1C 9492516 FDYGDRLPRCWJHS-UHFFFAOYSA-N 447.513 1.465 0 40 IDAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 9513876 GEKWHKXUGLELQW-UHFFFAOYSA-N 433.555 1.951 0 40 IDAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)NC1CCCC1 9519772 ATHNGOVLNCFBIL-UHFFFAOYSA-N 433.530 1.333 0 40 IDAB CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)C(=O)N(Cc4ccco4)C3=O)ccc21 9577775 QEVAPYFVYBNMPW-UHFFFAOYSA-N 445.453 1.166 0 40 IDAB C[C@H]1Oc2ccc(NC(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cc2NC1=O 9834473 WNWNWKKXHLKRIG-VERVWZFWSA-N 436.424 1.574 0 40 IDAB O=C(CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)N1CCOc2ccccc21 12142399 JIFQKEPLMZPWSZ-UHFFFAOYSA-N 428.514 1.608 0 40 IDAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)ccc21 12183533 NOXNYIGJFIAXSE-UHFFFAOYSA-N 441.509 1.763 0 40 IDAB COc1cc(C(=O)N2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)cc(OC)c1OC 12251687 MMLXOWWRXMVPMP-NSHDSACASA-N 441.531 1.987 0 40 IDAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 13566662 APXXAKXSABZEEB-UHFFFAOYSA-N 443.875 1.573 0 40 IDAB COc1ccc(NC(=O)N2CC[C@H]3CC(=O)N(CCN4CCNC4=O)CC[C@H]3C2)cc1 15673220 CMUAOOKVQAPREZ-IRXDYDNUSA-N 429.521 1.813 0 40 IDAB biogenic,in-vitro O=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccccc1N1CCOCC1 19350006 ZQZYHNKFXPRVKU-UHFFFAOYSA-N 438.532 1.204 0 40 IDAB CCN(CC)CCN1C(=O)[C@@H]2CN(C(=O)[C@@H](N)C(C)C)C[C@]2(C)NC(=O)c2ccccc21 19526384 HBFCHQDWPMWDPY-WXVUKLJWSA-N 443.592 1.305 0 40 IDAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(S(=O)(=O)c2cn(C)cn2)C1 19695986 JLHIDVUPOZBZRS-HXUWFJFHSA-N 429.502 1.445 0 40 IDAB COc1ccc(CNC(=O)[C@H]2CN(C(=O)c3cnc(C)nc3C)Cc3cn(C)nc32)cc1 19701511 IDGTZUGGTHVKPC-FQEVSTJZSA-N 434.500 1.892 0 40 IDAB Cc1cccc(OCCNC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)c1 21628186 FYKVFSBKTVZBRD-HNNXBMFYSA-N 438.575 1.388 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1 22400102 QGTHDPQDAYPOIJ-UHFFFAOYSA-N 445.607 1.932 0 40 IDAB CCN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2cccnc2)CC1 22784405 FOKDZJFLIAONSS-FQEVSTJZSA-N 429.952 1.846 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)CC(=O)NC(C)(C)C 36624940 GZAXMKDNPYVVTJ-SFHVURJKSA-N 441.550 1.134 0 40 IDAB Cc1ccc(N2CC[C@@H](C(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)C2=O)cc1C 58162035 YZHSELVGBSVPHN-SCTDSRPQSA-N 437.562 1.212 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(Cn3nnn(-c4ccccc4)c3=O)CC2)cc1 58175524 AFHOCSQTSBLSBL-UHFFFAOYSA-N 428.518 1.092 0 40 IDAB COCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 96263950 OPHSEIPOTWXWFB-ROUUACIJSA-N 431.514 1.671 0 40 IDAB Cc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)NC4CC4)[C@H]4C=C[C@]3(O4)[C@H]2C(=O)NC2CCCC2)cc1 100432032 PMOHSBMXAZPEMG-DCYXXNAWSA-N 449.551 1.983 0 40 IDAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)C(=O)NCc2ccco2)cc1 222969300 YJBDOKKJALIRDS-HNNXBMFYSA-N 437.518 1.213 0 40 IDAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224083288 CVPZWXAOCKJKOO-RLLQIKCJSA-N 425.529 1.924 0 40 IDAB CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCC[C@H]1C(N)=O 4375670 NQZYVZPEQQKCLY-OWCLPIDISA-N 426.558 1.543 0 40 IDAB COCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 6239030 JRJUXJDJHGGBIH-INIZCTEOSA-N 433.530 1.801 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](n2ccc3ccccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 8671440 LCOUBIHGTOPVKV-KNOXWWKRSA-N 447.440 1.897 0 40 IDAB COCCn1c(=O)[nH]c(=O)c2c1nc(CCc1ccccc1)c(=O)n2Cc1ccccc1 8861409 PNAJZMBGZWJIOH-UHFFFAOYSA-N 432.480 1.726 0 40 IDAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@@]12C(=O)Nc1ccccc12 9189944 PDBRRUIOLAGAFM-ZAMGYDSWSA-N 437.452 1.310 0 40 IDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CNC(=O)c2cccs2)c1 13017525 MYAKYYBMZXIQPU-UHFFFAOYSA-N 430.891 1.717 0 40 IDAB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 13041779 KYGQHFSUKXKKNQ-IERDGZPVSA-N 435.546 1.397 0 40 IDAB CCCOc1ccc([C@]2(C)C(=O)N(CN3CCOCC3)C(=O)[C@H]2CN2CCOCC2)cc1 13511199 ATLKMLJYBCDKDF-QPPBQGQZSA-N 445.560 1.340 0 40 IDAB COc1ccc([C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)N2CCCC2)cc1 17911968 JXLQUEUGXDJGKM-LJQANCHMSA-N 433.530 1.918 0 40 IDAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)C2CCOCC2)CC3)CC1 19462940 NWWNZFWEBLHOKD-YOEHRIQHSA-N 428.533 1.443 0 40 IDAB COc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)s1 19561973 FPDNATIMUDQWLB-CYBMUJFWSA-N 438.531 1.135 0 40 IDAB COCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C1 19593086 MDBLNOFUGNGWFF-CQSZACIVSA-N 428.464 1.460 0 40 IDAB Cc1cccn2cc(C(=O)N3CCO[C@@H](C(=O)N4CCN(c5ccccc5)CC4)C3)nc12 19747162 ISHQBXBASUNJHF-OAQYLSRUSA-N 433.512 1.833 0 40 IDAB Cn1nc(C2CC2)cc1C(=O)N1CCO[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19759102 JFDXHPIIFPSMKJ-QFIPXVFZSA-N 449.511 1.782 0 40 IDAB COc1ccc(CCNC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)cc1OC 20761216 BXXHJIGUSAKWMX-UHFFFAOYSA-N 427.457 1.790 0 40 IDAB biogenic COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCSc3nnnn3C)o2)c1 22108522 XZFWLXHWUAKRIT-UHFFFAOYSA-N 431.474 1.925 0 40 IDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 25066211 CELDBZAJBGGECM-UHFFFAOYSA-N 448.574 1.705 0 40 IDAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)N[C@H]1CCS(=O)(=O)C1 27937012 VCQOXIWLIRRCOO-QMMMGPOBSA-N 430.246 1.845 0 40 IDAB C[C@H]1C[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C(=O)O1 32736517 ANQUOSHHTMNJCN-UGSOOPFHSA-N 439.486 1.496 0 40 IDAB CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)N(C)C 32933042 SKSQZPSETQUBPE-FUHWJXTLSA-N 425.551 1.377 0 40 IDAB COc1ccc(OCc2noc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)cc1 49027382 ALQVZAIDZRCWTQ-UHFFFAOYSA-N 446.485 1.838 0 40 IDAB COC(=O)c1ccccc1NC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O 49421698 DFTLOYQDSUHEPY-UHFFFAOYSA-N 445.428 1.641 0 40 IDAB COCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(N2CCCC2)n1 67256992 QGBWMLQWMIOBFX-UHFFFAOYSA-N 429.496 1.478 0 40 IDAB O=C(c1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 71824216 NLDBFDYSLYVXAX-SFHVURJKSA-N 448.566 1.628 0 40 IDAB COc1cccc(N2CCN(C(=O)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)c1 72405941 KCXJUSNZXIILDP-GOSISDBHSA-N 432.546 1.831 0 40 IDAB O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(CCn2ccnc2)CC1 77099951 RNDXLFAFBJBSLJ-INIZCTEOSA-N 446.349 1.843 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCc3ccccc32)cc1OC 225095222 ZHMURDCTRFXHSW-UHFFFAOYSA-N 447.557 1.893 0 40 IDAB Cc1nnc2c(N3CC[C@@H](NS(=O)(=O)c4ccc(Br)s4)C3)nccn12 575414517 JACGIYBQTGSNIV-SNVBAGLBSA-N 443.352 1.814 0 40 IDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 575426729 YWWLDXYKUIXBAY-HOTGVXAUSA-N 446.547 1.010 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@H]2C1 1888930601 OVOACKVBVAELSC-STQMWFEESA-N 432.481 1.268 0 40 IDAB C[C@@]1(C(=O)N2CCC3(CC2)O[C@@H](C(=O)N2CCOCC2)Cn2ccnc23)CC=CCC1 2055793472 IPDRULHDIOMMRW-XMSQKQJNSA-N 428.533 1.705 0 40 IDAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN(C)CC1OCCO1 2420257 PSBMEZBWXIDZKQ-UHFFFAOYSA-N 426.267 1.960 0 40 IDAB CCCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2cc(Cl)ccc2c1=O 3370603 BUIFJHFXJZKJPB-UHFFFAOYSA-N 449.920 1.415 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2Cl)n(C)c1=O 8667132 XXGAOTSQBKOYBL-UHFFFAOYSA-N 441.669 1.534 0 40 IDAB CSCC[C@@H](C(=O)NCC1CCC(C(=O)O)CC1)n1c(=O)[nH]c2ccccc2c1=O 9236759 WEGRZYOAQWGFKK-KVULBXGLSA-N 433.530 1.991 0 40 IDAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(-n3cnnn3)cc2)c(=O)n(-c2ccccc2)n1C 9468097 GTKGPBZRNAFCME-OAHLLOKOSA-N 447.455 1.644 0 40 IDAB COc1cc(/C=C/C(=O)OCC(=O)NCCN2C(=O)CSC2=O)ccc1OC(F)F 9492097 PFYJXGNDIWMPKY-HWKANZROSA-N 444.412 1.665 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)CC[C@H]2NC(=O)NC2=O)sc2c1CCCC2 9492109 GDOJEGGHXJMJOW-LLVKDONJSA-N 437.474 1.274 0 40 IDAB Cc1cc(C(=O)COC(=O)C2=NNC(=O)CC2)c(C)n1C[C@@H]1COc2ccccc2O1 9492883 QHHQRNSQXIKOTA-OAHLLOKOSA-N 425.441 1.937 0 40 IDAB O=C(CCSc1ccccc1)NC(=O)COC(=O)Cn1cnc2ccccc2c1=O 9882967 ZTDHZXZUPALEFM-UHFFFAOYSA-N 425.466 1.765 0 40 IDAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)NC(=O)NCc3ccccc3)C2=O)cc1 12801639 HYRUKVPXDKFVGB-HSZRJFAPSA-N 438.484 1.964 0 40 IDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 12905303 HYUCDGDQAOIPMG-QRWLVFNGSA-N 432.498 1.552 0 40 IDAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12972645 NGTHHCFLNWMWRY-KGLIPLIRSA-N 445.497 1.756 0 40 IDAB Cn1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 13003169 FLOQBTLTSTYFDN-HXUWFJFHSA-N 430.574 1.817 0 40 IDAB COc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 13009921 BRQRNAYTTCPKLP-HNNXBMFYSA-N 439.468 1.916 0 40 IDAB CCCn1c(N)c(Br)c(=O)n(CC(=O)Nc2ccc(NC(C)=O)cc2)c1=O 13016704 CIPULLRTTLUEMM-UHFFFAOYSA-N 438.282 1.362 0 40 IDAB COc1ccc(C)cc1N(CC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccc(C)cc1 13675751 QVWGKDPTADLJEB-UHFFFAOYSA-N 445.541 1.808 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 14000226 FDYPDINVJWTTMB-KRWDZBQOSA-N 441.532 1.716 0 40 IDAB C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 16013443 JDIRXVFLIVGBPN-ARGWBDOXSA-N 443.862 1.781 0 40 IDAB C[C@@H](OC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)NC(N)=O 16044133 KPFVVAPKHSUKIF-GFCCVEGCSA-N 429.458 1.805 0 40 IDAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NCc1ccc2c(c1)OCO2 17178489 ADPTWICIYZAMJZ-OAQYLSRUSA-N 425.485 1.611 0 40 IDAB C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1)c1ccccc1 19459034 HNWKTKJHVIIWMP-GDBMZVCRSA-N 430.530 1.207 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3CCC(C)CC3)CC1)O2 19496710 XTPXBXFVVSCBHK-HSZRJFAPSA-N 429.517 1.827 0 40 IDAB CCn1cncc1C(=O)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 19578504 XXDWYXIBVBFVNG-GOSISDBHSA-N 440.479 1.676 0 40 IDAB Cc1nn2c([C@H]3CN(C(=O)c4cccnc4)CCO3)ccnc2c1CN1CCC(O)CC1 19707729 XYTLMXXOZUEOLH-OAQYLSRUSA-N 436.516 1.603 0 40 IDAB Cc1ccc(=O)n(CC(=O)N2CCC(Cc3nn(C)cc3C(=O)NC3CCCC3)CC2)n1 19757101 GJSNBKVUZDBPEA-UHFFFAOYSA-N 440.548 1.439 0 40 IDAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)CC1 20634612 COWKZIPAMUPNCH-KRWDZBQOSA-N 446.456 1.167 0 40 IDAB Nc1nc2c(nc(Nc3ccc4c(c3)Cc3ccccc3-4)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 22055707 RMYQNJYFBAYPNG-RCCFBDPRSA-N 446.467 1.657 0 40 IDAB in-vitro COc1ccc(CCN2C[C@H](C(=O)NCC(C)(C)N3CCOCC3)CC2=O)cc1OC 23653585 ZGJVDYBGRNKGLU-GOSISDBHSA-N 433.549 1.322 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(C)c2C)c1=O 32958159 DGVXGWSJQCZJPL-UHFFFAOYSA-N 429.521 1.484 0 40 IDAB CCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)NC4CCCCC4)c(=O)c3s2)C1 33141263 MAAIEXZTIDXKBW-CQSZACIVSA-N 446.577 1.654 0 40 IDAB CCOc1ccc(Cc2cc([C@@]3(OC)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 38428908 GKTWLVVOULBRDU-QMCAAQAGSA-N 438.904 1.603 0 40 IDAB in-vitro C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 39996269 CSWQRQHVYRARBX-MSOLQXFVSA-N 445.541 1.634 0 40 IDAB O=C(NCc1cccc(NC(=O)c2ccco2)c1)C1=CN2CCS(=O)(=O)N=C2C=C1 40074498 HJLHUYCCSQXDTI-UHFFFAOYSA-N 426.454 1.646 0 40 IDAB O=C1N[C@H](C(=O)N2CCN(Cc3ccncc3)CC2)CS[C@H]1Cc1ccccc1F 40087827 XOUVRXOLIIZPFC-PMACEKPBSA-N 428.533 1.708 0 40 IDAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)o1 40142135 VBOYQRMNEXRCEN-NWDGAFQWSA-N 437.440 1.580 0 40 IDAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 40154295 FCPGTYGLNWQLEO-SOUVJXGZSA-N 443.591 1.681 0 40 IDAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 44899724 WKQWFHPYCGHQBH-UHFFFAOYSA-N 447.498 1.901 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(OC)c2)C(=O)N3)cc1 64965728 WNBIVWRXGHGVJJ-UHFFFAOYSA-N 429.498 1.804 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)Cn1c(N2CCOCC2)nc(COC)cc1=O 67219819 DXYUEVLHJBGFJM-UHFFFAOYSA-N 430.461 1.042 0 40 IDAB O=C(c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)N1CCN(c2ncccn2)CC1 71768222 XDRQKTZVAFWQLE-UHFFFAOYSA-N 443.471 1.947 0 40 IDAB CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)c1 78869752 WEDOYSWSBAYALK-KRWDZBQOSA-N 433.578 1.642 0 40 IDAB COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nnc(-c2ccoc2C)n1N 84144927 OVTMOQMQMRIAJG-UHFFFAOYSA-N 430.490 1.724 0 40 IDAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 97119220 DXWWBNDPHCQRPY-CQSZACIVSA-N 426.336 1.875 0 40 IDAB O=C(CN1C(=O)c2ccccc2C1=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 97674645 WAXYGANUMSTPOM-MHWRWJLKSA-N 436.449 1.530 0 40 IDAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 225272890 WPPVCEKNLFILHR-GOSISDBHSA-N 432.498 1.418 0 40 IDAB O=C1CCCN1CCOc1ccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4ccnc4cn3)C2)cc1 257308900 TYRAUEGHDLRAPO-GHTZIAJQSA-N 449.511 1.406 0 40 IDAB COC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 408613407 WYOAUDYVHDAVHS-AWEZNQCLSA-N 438.477 1.943 0 40 IDAB CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)CC1 409023040 BRGUQMKXKHMNAI-UHFFFAOYSA-N 433.505 1.857 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ccc(Cl)cn4)C[C@@H]3C2)cc1C(N)=O 2298233198 OBXVOVXVEFNTCB-BETUJISGSA-N 436.921 1.599 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCC(C)C)c1 4357580 DIHYTTRCEIPHBY-GOSISDBHSA-N 425.551 1.319 0 40 IDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NCc1cc(Cl)c2c(c1)OCCCO2 9465827 DPFJCBRWMZLAOE-UHFFFAOYSA-N 435.889 1.856 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)CC1 12006140 DTXTXKLDLLDMRS-UHFFFAOYSA-N 428.894 1.822 0 40 IDAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@@H]4CC(=O)N(Cc5cccnc5)C4)C3)cc2n1 12088731 KBQIKJBZLNKRSP-ZWKOTPCHSA-N 434.500 1.893 0 40 IDAB Cc1ccccc1OC[C@@H](O)Cn1c(N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 12232424 GUTZDAMDSLYGJN-KRWDZBQOSA-N 441.532 1.418 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1C(N)=O 12908694 PGMZEZSCGKJLIW-UHFFFAOYSA-N 428.873 1.063 0 40 IDAB COC(=O)c1cnc(NC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)s1 12933458 QUHNWGYMDHDLNL-LLVKDONJSA-N 434.499 1.729 0 40 IDAB CN(CCc1ccncc1)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 13371959 NWQYZCBBGVBXEG-ROUUACIJSA-N 428.963 1.849 0 40 IDAB COCCCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 14111559 QHXLVEBTRRWROV-UHFFFAOYSA-N 425.533 1.660 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc(F)c3)CC2)c1 14242522 WMIYXUSVRYOPGV-UHFFFAOYSA-N 433.505 1.705 0 40 IDAB Cc1ccc(C2(CN3CCC(NC(=O)CN(C)[C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 19208365 OCMPCEKGROOHFY-NRFANRHFSA-N 433.618 1.726 0 40 IDAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CCN(c3ncccn3)CC1)C2=O 19699424 RGTWUYZPBCKEIU-UHFFFAOYSA-N 434.500 1.672 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C[C@H]3C=CCC3)C1)C2=O 19699594 KOFVGLXESLJWMU-ZWKOTPCHSA-N 430.549 1.903 0 40 IDAB COc1ccc(-n2c(=O)[nH]c(O)c([C@@H]3NCCc4c3[nH]c3ccc(OC)cc43)c2=O)cc1 20610562 VRXZSLIWMTWQDR-FQEVSTJZSA-N 434.452 1.965 0 40 IDAB biogenic COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)[C@H]3COc4ccccc4O3)CC2=O)c1 20745916 XKEJPCJLZAMDMI-MGPUTAFESA-N 439.468 1.121 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C/c2ccccc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 33548210 NBLPYLGNOWTTPP-KNGSKEOJSA-N 438.527 1.767 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCSC(F)(F)F)c1 40146341 LBOSYGNUCMNXGD-UHFFFAOYSA-N 441.497 1.756 0 40 IDAB CONS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 40152564 FDUJHUXFHNVDRR-UHFFFAOYSA-N 433.486 1.213 0 40 IDAB O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)N1CCc2ccccc2C1 49421717 PHQJECPZDCBEBL-UHFFFAOYSA-N 427.457 1.800 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 57414668 CMMRQLPSELWZCW-OAQYLSRUSA-N 437.500 1.693 0 40 IDAB Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)c12)OC(C)(C)CC3 79190586 VMSZULJGGDPUEA-ZDUSSCGKSA-N 435.498 1.887 0 40 IDAB biogenic Cn1cc([C@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(Br)cc3)C2=O)cn1 89917045 KMAPLEYAZCAKCP-INIZCTEOSA-N 441.307 1.424 0 40 IDAB Cc1ccc(C(=O)[C@H]2C(=O)C(=O)O[C@H]2[C@H]2OC(=O)C(=O)[C@H]2C(=O)c2ccc(C)cc2)cc1 104247098 AQMIFMWHYUMHMK-WGKKAQPQSA-N 434.400 1.590 0 40 IDAB CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 104371385 WOPWLXOQMMEKKL-RNEAKCBISA-N 431.470 1.381 0 40 IDAB COC(=O)[C@H]1CN(C(=O)C[C@H](NS(C)(=O)=O)c2ccc(OC)cc2)c2ccccc2O1 225953505 CGMXMGQMAFGZJB-QFBILLFUSA-N 448.497 1.643 0 40 IDAB CCc1nc2ccccc2n1CCC(=O)N1CC[C@@](C)(O)[C@H](n2cc(C)c(O)nc2=O)C1 257255447 KHMQHZCILUKSMM-WZONZLPQSA-N 439.516 1.784 0 40 IDAB NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](CSCC(F)(F)F)NS2(=O)=O 1700363 RINBGYCKMGDWPY-SECBINFHSA-N 425.863 1.313 0 40 IDAB in-man COc1ccc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 2631423 IGNVGJMNSYBYJG-UHFFFAOYSA-N 434.514 1.584 0 40 IDAB COc1ccc(NC(=O)[C@H]2C(=O)C(=O)N(c3ccc(OC)cc3OC)C2=O)c(OC)c1 5663412 WVHMJPURBJQQTO-QGZVFWFLSA-N 428.397 1.418 0 40 IDAB O=C(CCNS(=O)(=O)c1ccccc1Br)N1CCN(C(=O)C2CC2)CC1 8778389 HMBILIXDKKAVSI-UHFFFAOYSA-N 444.351 1.198 0 40 IDAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8936940 YOPJNYZJBCBPGF-UHFFFAOYSA-N 448.508 1.962 0 40 IDAB O=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCOCC3)cc2)C1 9234006 QWRYPEKFVDGJSP-MRXNPFEDSA-N 443.525 1.655 0 40 IDAB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc(C)cc1 9636801 QHNUAZWNAPSBQV-WHZJULEDSA-N 437.445 1.030 0 40 IDAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)c2O1 9661723 WWHKHNKIGSOBRH-UHFFFAOYSA-N 434.470 1.608 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)NCC(C)(c2ccccc2)c2ccccc2)n(C)c1=O 9731684 LDRZFNPOGNXWIH-UHFFFAOYSA-N 431.496 1.556 0 40 IDAB COc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 9807044 GGEVMYZCSRLOCF-HNNXBMFYSA-N 437.543 1.342 0 40 IDAB Cc1nc(C)c(CC(=O)N2C[C@H](C(=O)N(C)C)[C@]3(CCc4ccccc4C(=O)N3)C2)s1 12124935 QAYIKZDGHLARNJ-JPYJTQIMSA-N 440.569 1.964 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C)cc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 12406452 QHNUAZWNAPSBQV-NXNFSMPISA-N 437.445 1.030 0 40 IDAB biogenic COc1cccc([C@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2nccn2C)c1 12628657 PWVDLYYIDNURDH-KRWDZBQOSA-N 427.486 1.132 0 40 IDAB Cc1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nn1-c1ccc(F)cc1 12676137 ZPMMJPDIZONSSP-UHFFFAOYSA-N 445.476 1.988 0 40 IDAB COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1S(=O)(=O)NC1CC1 14108332 IYBGHFJVCIBJIQ-KRWDZBQOSA-N 429.498 1.188 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(NC(C)=O)cc1 15627390 UVFTYQDATADJKK-UHFFFAOYSA-N 433.486 1.927 0 40 IDAB Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 22920144 UXTQHTFOCZTQTK-LJQANCHMSA-N 431.562 1.232 0 40 IDAB CCOC(=O)C1=C(COC(=O)C2=NN(C)C(=O)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 29904536 XPRHWXFEEUTZNA-KRWDZBQOSA-N 448.863 1.663 0 40 IDAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)C1 40388850 IQTNHDJWZGEDLH-OCCSQVGLSA-N 439.472 1.842 0 40 IDAB CCN(CC)[C@H](CNC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C)c1ccccc1Cl 48362432 IIYNHOVVIVCVMF-OAHLLOKOSA-N 446.939 1.735 0 40 IDAB Cc1ccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C 57841217 OHTJVYFRGIUMGF-UHFFFAOYSA-N 444.469 1.277 0 40 IDAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)N(C)C)cc2)s1 58439959 ZZEGJOUBSVAWQP-UHFFFAOYSA-N 425.532 1.695 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCCN1C(=O)CNC1=O 72273209 YGWNKCGOCQAURD-UHFFFAOYSA-N 425.283 1.486 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNC2(C(N)=O)CCCC2)c1 72308582 ZCANZIOZYPFREY-UHFFFAOYSA-N 426.539 1.052 0 40 IDAB O=C(CN1CCC[C@@H]1c1ccccn1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 72311930 PKKAKMZIQUPEFM-HXUWFJFHSA-N 430.530 1.878 0 40 IDAB CCN(CC)C(=O)Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21 72331994 RSYALNRTMODKPL-UHFFFAOYSA-N 440.500 1.837 0 40 IDAB CN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 96262245 UUNKCSSWBQJTNS-ZWKOTPCHSA-N 427.530 1.225 0 40 IDAB Cn1c2c(c(=O)n(C)c1=O)[C@H](CC(=O)NCCc1c[nH]c3ccc(Cl)cc13)C(=O)N2 101478855 VUPYGSAPQYHJNJ-ZDUSSCGKSA-N 429.864 1.003 0 40 IDAB CS(=O)(=O)c1ccc(OC[C@]2(CNC(=O)c3ccc(F)cc3)C[C@H](O)[C@H](O)C2)cc1 107283781 LXINASCOSBAZLP-KXTWHKPSSA-N 437.489 1.540 0 40 IDAB biogenic,in-vitro CC(C)C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 169679492 HUYQJPSECCTJSR-WIZAYZPVSA-N 431.514 1.494 0 40 IDAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NCCO)cc1 222958733 FMAFSQUEPBAJLY-INIZCTEOSA-N 430.501 1.781 0 40 IDAB O=C(O)COc1cccc(C(=O)NC[C@@]2(O)CCCN(c3ccnc4cccnc34)C2)c1 257339481 ZBXTUMXMKQMSNM-QHCPKHFHSA-N 436.468 1.855 0 40 IDAB CN1CCN(CCCNC(=O)c2nc([C@@H]3CCCN3c3ncccn3)n3ccccc23)CC1 306132355 LGGPJGFULBFMJQ-FQEVSTJZSA-N 448.575 1.833 0 40 IDAB Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 511225564 WVTXHLXWCHGBCB-QGZVFWFLSA-N 437.529 1.950 0 40 IDAB COc1ccc(S(=O)(=O)N(CCCCCC(=O)O)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 575426479 UFCGHZFUNXUGTK-CQSZACIVSA-N 449.547 1.527 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)C2CN(c3cc(-n4nc(C)cc4C)ncn3)C2)n1 575607414 CIRHAQNIYQBVDB-UHFFFAOYSA-N 441.517 1.916 0 40 IDAB Cc1noc(C)c1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)c3cncnc3)C[C@@H]1CO2 1772594496 FVEHGIWDJTXUPG-GOSISDBHSA-N 448.483 1.906 0 40 IDAB O=S(=O)(c1ccc(Cl)nc1)N1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 703774 XNOHHQVSTVBITH-UHFFFAOYSA-N 437.330 1.479 0 40 IDAB COc1ccc2c(C)c(CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2c1OC 2118861 RMQHYTWVRFBXPD-KRWDZBQOSA-N 434.445 1.003 0 40 IDAB biogenic COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2=O)c(OC)c1 8761998 IRBNXFLCFIHNST-KLHDSHLOSA-N 434.489 1.624 0 40 IDAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1 9661016 WWSYCQXSSYWHBP-UHFFFAOYSA-N 445.497 1.915 0 40 IDAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 9948885 BUCLZGDQOVSCCK-VGSWGCGISA-N 445.541 1.338 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2cccc(C)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 12406249 LERJREBRRWXADA-WRTQPQOASA-N 437.445 1.030 0 40 IDAB COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2N)CC1 12637484 RDQTVUVUDSSXNR-UHFFFAOYSA-N 425.514 1.560 0 40 IDAB CCC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1C 13012389 HYSBWQHNDSIHLP-UHFFFAOYSA-N 444.513 1.716 0 40 IDAB COc1cc(OC)c2c(C)c(CC(=O)NCCNC(=O)c3ccncc3)c(=O)oc2c1 13627496 HQXJURIFPIVHPK-UHFFFAOYSA-N 425.441 1.602 0 40 IDAB O=C(COc1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 13689461 RFLOASPBGGCEGC-HXUWFJFHSA-N 426.425 1.305 0 40 IDAB COc1ccc(Cl)cc1NCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 16045750 YYBSWTCYQPAPIF-UHFFFAOYSA-N 443.891 1.904 0 40 IDAB O=C(c1ccc2c(c1)OCO2)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19345475 PCIHVRALCWKMPG-HNNXBMFYSA-N 436.468 1.423 0 40 IDAB COC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 21817162 XSJZGRLCPSTLSK-AWEZNQCLSA-N 442.253 1.808 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 22412358 VXQARAXPNDMWEN-UHFFFAOYSA-N 434.543 1.957 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCN(CC(=O)NC(C)(C)C)CC2)cc1NC(C)=O 22531125 MJVYGNOLASMZNH-UHFFFAOYSA-N 440.566 1.265 0 40 IDAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)N1CCN(CC(=O)N2CCCC2)CC1 35362622 ZTMIFJMXKKVTHK-UHFFFAOYSA-N 449.968 1.174 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 36398791 UPARRYFDZKFNQV-HNNXBMFYSA-N 434.570 1.463 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCN4CCCC[C@@H]4C3)CC2)Oc2ccccc21 72326140 VFIMUNHSQGGMEF-UZUQRXQVSA-N 426.517 1.214 0 40 IDAB CN(C)c1ncc(CN2C[C@@H](C(=O)NC(C)(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)cn1 72334504 YOTKVODCDUYFGF-YADARESESA-N 436.560 1.614 0 40 IDAB CCn1c(C2CCN(C(=O)c3cncc(Br)c3)CC2)nn(CCOC)c1=O 77147152 WISMFVMLPIDRON-UHFFFAOYSA-N 438.326 1.888 0 40 IDAB Cc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC(C)(C)C)N(C3CCCC3)C(=O)[C@H]24)no1 100436275 KSBRUNIMBIHUGB-MIRVAYRJSA-N 442.516 1.929 0 40 IDAB CC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C3\C(=O)Nc4ccccc43)c(=O)n12 100895703 IZKAOEVHZXAETM-SGEPLTRUSA-N 431.473 1.597 0 40 IDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@@H]1C 104727818 ZKJANBXPNILKEK-BXWFABGCSA-N 438.546 1.948 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 222459766 WPPMYJKCKWVJHR-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222792855 BHLJOBAXZJUMSE-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB Cc1ccc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 224547651 ZLVQJKDBKYSYPJ-UHFFFAOYSA-N 431.558 1.910 0 40 IDAB CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 225252257 AXHRDLPNNDKCDL-OAHLLOKOSA-N 434.470 1.180 0 40 IDAB CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4ccccc4O3)[C@H]21 248323264 XNEWTCWKDGAHAW-QBLIABLWSA-N 426.469 1.327 0 40 IDAB COc1cccc2c1OC1(CCN(S(=O)(=O)N3CCOCC3)CC1)[C@H]1CCCO[C@H]21 257344177 ZWBIAMCRISGBCX-PKOBYXMFSA-N 438.546 1.967 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)c(C)c1 408591144 JCKWIORBXOLDPP-FQEVSTJZSA-N 437.606 1.851 0 40 IDAB CCOC(=O)[C@@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 547643028 IPHHAOQUEOGHBG-QGZVFWFLSA-N 431.470 1.836 0 40 IDAB Cc1cccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C5CCOCC5)[C@H]4C3)CC2)c1 585284687 VEXZADPCQRZZDC-VXKWHMMOSA-N 429.561 1.417 0 40 IDAB COc1cc(CNC[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc(OC)c1 585286175 WNYSRGNHBXTXMS-UPVQGACJSA-N 428.529 1.751 0 40 IDAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CCOC[C@H](C4CCC4)C3)cn2)CC1 645006699 LAGHNKCNBXTWOU-QGZVFWFLSA-N 437.566 1.444 0 40 IDAB COc1ccccc1C(=O)N1C[C@@H]2OCCS(=O)(=O)N(Cc3cccc(F)c3)[C@@H]2C1 1534645884 PKSBLWQZNVEPOY-QUCCMNQESA-N 434.489 1.890 0 40 IDAB O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1569694791 YPXYXJNHOCVNTO-ZVZYQTTQSA-N 445.457 1.721 0 40 IDAB O=C(NCc1cccc2c1OC(F)(F)O2)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1641302215 IZELRWYPZNIMDJ-GOEBONIOSA-N 436.386 1.968 0 40 IDAB COc1ccc2[nH]cc(CCNC(=O)[C@H](C)NC(=O)Cc3n[nH]c(=O)c4ccccc34)c2c1 9052611 VJXXBNBPIODEQX-AWEZNQCLSA-N 447.495 1.819 0 40 IDAB Cc1ccc2c(c1)CCCN2CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9508659 MWUHACCZSFHDLB-UHFFFAOYSA-N 433.512 1.891 0 40 IDAB Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3CCNc2ccccc2)n(C)c1=O 10108960 WYZYXIIZGYCPKA-UHFFFAOYSA-N 429.484 1.770 0 40 IDAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1OC 12738362 ULTZCFXMQYWGDA-MRXNPFEDSA-N 426.516 1.877 0 40 IDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1cc(=O)n2ccsc2n1 16823697 SCVYLFJJEBKSGR-INIZCTEOSA-N 433.511 1.576 0 40 IDAB COc1cccc(CNC(=O)c2cc3c(nc2N)CCN(C(=O)c2ccc(=O)n(C)c2)C3)c1 19701146 QDXMWKGOERSLKG-UHFFFAOYSA-N 447.495 1.500 0 40 IDAB COCCNC(=S)N(CCCN1CCOCC1)Cc1cc2ccc(OC)cc2[nH]c1=O 19824730 USJCFICHGDDCHQ-UHFFFAOYSA-N 448.589 1.582 0 40 IDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@H](O)c1ccccc1 20739064 CDRUFNNWRBEJEQ-IRXDYDNUSA-N 425.441 1.466 0 40 IDAB COc1ccccc1-n1nnnc1SCC(=O)NCC1(N2CCOCC2)CCCCC1 23819175 JDTNJHAIRPTLCM-UHFFFAOYSA-N 446.577 1.914 0 40 IDAB COc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCC[C@@H]1C 31611310 KAKXBGKPFHLDAY-GOEBONIOSA-N 444.575 1.517 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCN1CCN(c2ncccn2)CC1 32333179 TYPBOXHMYLELRS-HXUWFJFHSA-N 442.539 1.699 0 40 IDAB CCn1c(S[C@@H]2CCCCNC2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 32871621 DUEXTXULVAKPNO-QGZVFWFLSA-N 438.575 1.838 0 40 IDAB COc1ccc(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1OC 32946781 SYEUZKUXVXRZMY-UHFFFAOYSA-N 436.515 1.969 0 40 IDAB O=C([C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1)N1CCOCC1 35362687 SBPHNQAEXJPHEO-LJQANCHMSA-N 435.571 1.655 0 40 IDAB C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1nnnn1-c1ccccc1 40089679 ITBLCXQYBHQDJQ-AWEZNQCLSA-N 432.531 1.932 0 40 IDAB C[C@H](NC(=O)[C@@H](C)S(=O)(=O)c1nnc(N2CCOCC2)s1)c1ccc(F)cc1 58232049 OFQLEGKOAJSUOU-NWDGAFQWSA-N 428.511 1.553 0 40 IDAB O=S(=O)(N1CCOCC1)N1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 72371311 USBQHFYZYWAPQM-CQSZACIVSA-N 442.488 1.676 0 40 IDAB COc1cc(Br)c(CNc2cnn(CC(=O)NCCN(C)C)c2)c(OC)c1 95462157 DVRAWCDUEZPQAD-UHFFFAOYSA-N 440.342 1.953 0 40 IDAB CC1(C)[C@]2(C(=O)N3CCN(C(=O)[C@]45CC[C@@](C)(C(=O)O4)C5(C)C)CC3)CC[C@@]1(C)C(=O)O2 100749438 LHLRTIIKMVJLPU-NEWJYFPISA-N 446.544 1.901 0 40 IDAB COc1cccc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@](C)(N=3)[C@@H]2C(C)=O)c1O 100895690 UWCGRTIBAKTOBG-KGCNAXJQSA-N 436.489 1.989 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CC1 222625816 ACGAPCHENXCWMY-UHFFFAOYSA-N 443.323 1.787 0 40 IDAB O=C(NCc1ccccc1)[C@H]1[C@@H]2C(=O)N(C3CC3)[C@@H](C(=O)NC3CCCC3)[C@@]23C=C[C@H]1O3 245230321 PEQRRQDTRSBGEN-JWEZWNSLSA-N 435.524 1.675 0 40 IDAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)C1 250672038 MXEGWLMTZZTNRV-DYVFJYSZSA-N 446.456 1.167 0 40 IDAB O=C(C[C@@]1(COc2ccc(Cl)cc2)CN(Cc2c[nH]cn2)CCO1)N1CCOCC1 257216433 CUNBTZLXCKHCPU-NRFANRHFSA-N 434.924 1.962 0 40 IDAB Cc1c(CNS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)cnn1C 534647691 STVKNXZASQZZFR-UHFFFAOYSA-N 428.312 1.160 0 40 IDAB O=S1(=O)CC[C@H](NN(C(c2ccccc2)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1 575420694 JEMHLGVHLFYJPX-VQTJNVASSA-N 434.583 1.957 0 40 IDAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ccc5nnc(C(F)(F)F)n5n4)C3)n2)n1 585606156 SSQVRPBPSLSBDY-UHFFFAOYSA-N 445.409 1.639 0 40 IDAB CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1=O 643557155 SPFMJGCTFMHJIQ-QHCPKHFHSA-N 426.517 1.895 0 40 IDAB CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1 2601405 FLCWJAFJHOTHDW-KRWDZBQOSA-N 428.342 1.681 0 40 IDAB Cc1ccc(-n2nnnc2SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c(C)c1 2644983 WLAOWILYWTWMIV-UHFFFAOYSA-N 443.533 1.353 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 3250859 IOCAWSRAULGNCO-AWEZNQCLSA-N 433.486 1.802 0 40 IDAB CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 3345313 HBZVCEFRKZBHTJ-UHFFFAOYSA-N 435.477 1.239 0 40 IDAB COC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2ccco2)cc1 4399998 BEWIDSYFTXRHEK-UHFFFAOYSA-N 427.457 1.888 0 40 IDAB COc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n(C)c(=O)n4C)n3C)sc2c1 6445022 BJNRDFUZJFFTKP-UHFFFAOYSA-N 446.514 1.320 0 40 IDAB O=C(C1CC1)N1CCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 8778379 UZTJJSUIMGVNNJ-LICLKQGHSA-N 431.558 1.780 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 9266132 UJSWWBLVJAQCTC-MRXNPFEDSA-N 435.502 1.280 0 40 IDAB O=C1NC(=O)C2(CCN(C(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)N1 12890217 CGDHTWICLPCTJW-UHFFFAOYSA-N 425.411 1.517 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C[C@H]3CCCCO3)C1)C2=O 19699588 YCCLEHXIAOHVPH-QZTJIDSGSA-N 448.564 1.506 0 40 IDAB CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(S(=O)(=O)c2cnn(C)c2)CCO1 19702827 LAMJMXDZRNLQGS-OAHLLOKOSA-N 449.558 1.930 0 40 IDAB CNc1nc(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2c1CN(C(C)=O)CC2 19705590 GTAYWAPJWVUNES-UHFFFAOYSA-N 429.546 1.991 0 40 IDAB CCOc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 21150209 JFZKQOVBXWCLCI-UHFFFAOYSA-N 446.508 1.707 0 40 IDAB CCOC(=O)N1CCN([C@@H](c2cccnc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697869 BGPCJFSRSDSQRM-FQEVSTJZSA-N 430.505 1.767 0 40 IDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 23462785 MCZNHNQDDRTOJZ-MRXNPFEDSA-N 427.534 1.528 0 40 IDAB Cc1nn(C)c2c(=O)n(C(C)C)c(N3CCN(C(=O)COc4ccc(F)cc4)CC3)nc12 28559110 OLXYAMKVZANDFC-UHFFFAOYSA-N 442.495 1.886 0 40 IDAB C[C@@H](OC(=O)[C@@H]1COc2ccccc2C1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 32823875 FQNXNTIUYWUZON-PBHICJAKSA-N 432.498 1.176 0 40 IDAB CCOC(=O)c1sc2ncn(CC(=O)NC[C@@H]3COc4ccccc4O3)c(=O)c2c1C 32863942 YXUQPFSTILLRFL-CYBMUJFWSA-N 443.481 1.899 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 40152899 NBABIBFVFRFEEO-UHFFFAOYSA-N 435.506 1.002 0 40 IDAB O=C(OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)c1n[nH]c(=O)c2ccccc12 57840789 DPVCLZDCVJORKE-HNNXBMFYSA-N 447.513 1.428 0 40 IDAB CCN(CC)Cc1ccccc1CNC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 58162147 TZUNXQWWTUEJHF-UHFFFAOYSA-N 425.533 1.743 0 40 IDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 58298019 PFTVSYYEWFERJI-UONOGXRCSA-N 426.395 1.473 0 40 IDAB O=C(c1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 71824214 NLDBFDYSLYVXAX-GOSISDBHSA-N 448.566 1.628 0 40 IDAB CCNC(=O)c1cccc(CNC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)c1 72301529 HLHLBJLPQYCTRZ-HXUWFJFHSA-N 449.511 1.190 0 40 IDAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4cccnc4)[C@@H]3CO)cc2)nn1C 72321260 JOQVXQLLUFAQAX-IFMALSPDSA-N 435.484 1.837 0 40 IDAB biogenic,in-vitro CN(Cc1nccn1C)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 95402860 VTZRBQJVSZCJBL-UHFFFAOYSA-N 428.312 1.194 0 40 IDAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(=O)n(C)n3)cc2)n1 96123956 ZFUXZWBVXJYANZ-UHFFFAOYSA-N 428.474 1.251 0 40 IDAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)c1 96380433 VTUUCLPZXVJNFS-UHFFFAOYSA-N 426.516 1.082 0 40 IDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 104812923 WHPCEMIWRPQORT-MPTYRVRUSA-N 426.560 1.917 0 40 IDAB Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c(C)c1 104894944 DCRMYZYOOYFBKC-SFHVURJKSA-N 430.592 1.204 0 40 IDAB CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N(O)CC(N)=O 166392771 SLRMDZMWYPSUCZ-IRXDYDNUSA-N 434.493 1.022 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3cnn(C[C@@H]4COc5ccccc5O4)c3)cc21 206848058 FJRJQFOVIAZTRK-CQSZACIVSA-N 442.453 1.969 0 40 IDAB C[C@H](C(=O)NCCCN1CCOCC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220254975 KGWFDHMKAVRWBC-CYBMUJFWSA-N 438.377 1.986 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 223021540 UEZKMCIGULGMHP-UHFFFAOYSA-N 447.560 1.418 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC 223860113 BVRXEDPEQWBRLU-ZDUSSCGKSA-N 440.543 1.888 0 40 IDAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 224461863 RPZKDBFNBYNCKY-GOSISDBHSA-N 448.541 1.978 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3ncn[nH]3)C2)cc1C 226084587 AYYNCVNZHQBGHA-CQSZACIVSA-N 439.563 1.431 0 40 IDAB COc1ccc(OC)c(CCN2CC(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 230077028 SPWCARZIVZOXHP-UXHICEINSA-N 430.526 1.761 0 40 IDAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc(=O)n(C)c(=O)n1C 257226230 FJSCRBIWSOTJEB-GWNKNSFXSA-N 436.556 1.783 0 40 IDAB Cc1cnn(CC(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)c1 257287931 PSCCYROQKRQVJV-CQOQZXRMSA-N 426.561 1.881 0 40 IDAB O=C(NCc1ccncc1)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710230 UAWUPBQNARPSKV-UHFFFAOYSA-N 432.436 1.995 0 40 IDAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCOCC2)cc1OC 408775589 ILNSNIAJUUWIKK-UHFFFAOYSA-N 448.541 1.796 0 40 IDAB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 504664416 JDNBUCYFCINGLN-ZBAMRAGRSA-N 432.480 1.494 0 40 IDAB biogenic NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](c1ccccc1OC(F)F)NS2(=O)=O 3240784 FFUWXHBFNQESMW-CYBMUJFWSA-N 439.849 1.991 0 40 IDAB CN(CC(=O)OCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(Cl)cc1 8631895 WMMLKONHHQYKAY-UHFFFAOYSA-N 436.873 1.800 0 40 IDAB CCOc1ccc(N2CCn3c2nn(CC(=O)N2CCc4ccccc42)c(=O)c3=O)cc1 8849375 NNLCZHRJCDAMNN-UHFFFAOYSA-N 433.468 1.545 0 40 IDAB COc1ccc(C(=O)N[C@@H](C)C(=O)N2CCC3(CC2)NCCc2[nH]cnc23)cc1OC 9185690 SZKBFYZBBXCONY-AWEZNQCLSA-N 427.505 1.209 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CN3C(=O)COc4ccccc43)CC2)cc1 9216919 VWSQNCGIKHLAEI-UHFFFAOYSA-N 443.525 1.644 0 40 IDAB NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O 9331428 AHNLLIJEOSSECX-OALUTQOASA-N 438.484 1.584 0 40 IDAB biogenic CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 9344689 BNSFWPQRJBCJOI-STQMWFEESA-N 432.365 1.612 0 40 IDAB CCn1nnnc1SCC(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9376288 FQYYVPCQFARRKB-UHFFFAOYSA-N 437.485 1.312 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)NCC(C)(c1ccccc1)c1ccccc1)c(=O)n2C 9378415 ZPIJTKFKLSOJOQ-UHFFFAOYSA-N 431.496 1.556 0 40 IDAB COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)N4CCCC4)nn23)cc1 9578553 VXJPKOIQRWPEQC-UHFFFAOYSA-N 440.529 1.820 0 40 IDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)c2ccc(CC(=O)N3CCOCC3)s2)C1=O 9595542 ODODHOIFRLRWQN-FQEVSTJZSA-N 431.470 1.392 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1 9806054 IHOSBYWLCYXCIS-INIZCTEOSA-N 445.497 1.001 0 40 IDAB Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCCCOC(C)C)CS(=O)(=O)C3)c1 10250528 NWGUWDHUQOZXQB-UHFFFAOYSA-N 434.518 1.479 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)o2)nn1C 11693841 UVCIISYBUSWVBF-ZDUSSCGKSA-N 448.480 1.957 0 40 IDAB O=C([C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2O1)N1CCCCC1 12781319 ZCWFMFXGEBGMKM-LJQANCHMSA-N 442.497 1.825 0 40 IDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 12894859 FSRNMWZATLOLLJ-UHFFFAOYSA-N 427.482 1.409 0 40 IDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 13057902 YFDOLTJSSJSINL-FQEVSTJZSA-N 430.486 1.343 0 40 IDAB O=C(c1ccc(CS(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2)CC1 19934824 YLIBUAHFWKJUBZ-UHFFFAOYSA-N 429.542 1.811 0 40 IDAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)O)cc2)c1C 20343105 VRAPKAAOGHZCCU-QXSJWSMHSA-N 433.442 1.685 0 40 IDAB COC[C@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(OC)cc3)CN21 20464542 NVYOCVLTZMQKSD-HIUFNZKISA-N 444.576 1.144 0 40 IDAB biogenic,in-vitro CCOC(=O)N1CCN(C(=O)CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 21334919 UMBIBCQEXJLTBC-UHFFFAOYSA-N 446.426 1.756 0 40 IDAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 23268865 CROVGALKRNHGKT-UHFFFAOYSA-N 425.532 1.659 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 25196761 JNNAGPUPINTTOA-UHFFFAOYSA-N 448.589 1.160 0 40 IDAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 40142369 JQDDWODBZIUYMS-HOTGVXAUSA-N 429.608 1.867 0 40 IDAB Cn1c(=O)c2ccc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)nc2n(C)c1=O 72374592 NPCZEKIZEPXEDV-QGZVFWFLSA-N 432.477 1.687 0 40 IDAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)CN[C@H]2C=CS(=O)(=O)C2)CC1 72397040 XLMSTZNZSJVTLO-INIZCTEOSA-N 446.504 1.079 0 40 IDAB CCOc1cccc2cc(C(=O)NCCn3nc(-n4nc(C)cc4C)ccc3=O)c(=O)oc12 77196894 LRHDVGCHJYOIDY-UHFFFAOYSA-N 449.467 1.981 0 40 IDAB CC(C)NC(=O)N1CCC2(CC1)O[C@H](C(=O)NCCc1ccncc1)Cn1ccnc12 96263233 KVUCQDFBSXGZDO-SFHVURJKSA-N 426.521 1.445 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(Cl)ccc21 101345252 BYRPHMNUKDOQNL-ATDDHBJVSA-N 445.950 1.628 0 40 IDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCN(C(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)CC1)OC2=O 101693010 LHLRTIIKMVJLPU-WAPCQROESA-N 446.544 1.901 0 40 IDAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222887448 RUCNRPHMVBFGAI-GOSISDBHSA-N 431.558 1.967 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3[C@H]4CCCC[C@H]34)CC1)C2=O 257215705 CRGYLHCGFZAQBR-ROUUACIJSA-N 444.576 1.983 0 40 IDAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)N[C@H](C)c2ccccc2)CC1=O 408654162 JXPHJDJQRZWXLC-NVXWUHKLSA-N 439.468 1.609 0 40 IDAB COc1cccc(N2CCC(O)(CN3CC[C@@H]4[C@@H](CCCCN4CC(N)=O)C3)CC2)c1 585282576 HERVPCIFENRWQD-SIKLNZKXSA-N 430.593 1.688 0 40 IDAB CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)CC2=CCCCC2)CC3)C1=O 2055795751 QEEZCFGJAHBTSZ-QFIPXVFZSA-N 437.606 2.000 0 40 IDAB C[C@@H](CNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 2666463 QTKREROYBHNMOS-JUOUICQDSA-N 434.533 1.851 0 40 IDAB biogenic CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(N)=O 6135082 FNBLRADOWVNAIT-GVDBMIGSSA-N 440.585 1.933 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 9195890 ZPBBBYDTFPDTKS-XWIAVFTESA-N 427.457 1.857 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)Cc1c(C)nn(C)c1C)n2CCC 10199952 MZOLNJHNQAMYHK-UHFFFAOYSA-N 430.509 1.733 0 40 IDAB Cn1cnc2c1c(=O)n(CCCn1c(-c3ccccc3)nc3ccccc3c1=O)c(=O)n2C 12525122 DJGLSULJEYZYKF-UHFFFAOYSA-N 442.479 1.901 0 40 IDAB C[C@H]1CCc2c(sc3c2-c2ncnn2-c2nnc(SCC(=O)N4CCOCC4)n2-3)C1 13805759 GVNXTXGTZUZAQP-NSHDSACASA-N 443.558 1.966 0 40 IDAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2 14158159 ZUNZBOOZDMWLFO-UHFFFAOYSA-N 444.440 1.695 0 40 IDAB Cn1c(=O)n(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c2ccccc21 14226522 RMOULIPFHBUPCO-UHFFFAOYSA-N 425.464 1.262 0 40 IDAB Nc1c(N(Cc2ccccc2)C(=O)C2=COCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 14383322 AGSJFAFSSJQJJA-UHFFFAOYSA-N 434.452 1.589 0 40 IDAB COc1cccc(C(=O)NCCNC(=O)c2nc(-c3ccc(OC)c(OC)c3)no2)c1 15082011 NWVYWFDKLRECOE-UHFFFAOYSA-N 426.429 1.922 0 40 IDAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(S(C)(=O)=O)CC2 19562175 FRIIXFDHKVRCLH-CQSZACIVSA-N 437.547 1.220 0 40 IDAB CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)NCCN2CCOCC2)[C@@]1(C)C(=O)c1ccccc1N 19576074 BIOHBCBEFWKSMB-YZZKKUAISA-N 430.549 1.067 0 40 IDAB CNc1nc([C@@H]2CCCCN2CCC(=O)N2CCOCC2)nc2c1CN(C(C)=O)CC2 19710387 UBPPWSREEVPVSF-IBGZPJMESA-N 430.553 1.199 0 40 IDAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)Nc1ccc(F)cc1F 20614080 WPTNUVNSBSHLCU-QGZVFWFLSA-N 433.411 1.822 0 40 IDAB COc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1S(=O)(=O)N1CCCC1 22025128 MXXKCSLKXXZIPJ-UHFFFAOYSA-N 425.551 1.320 0 40 IDAB NC(=O)C1CCN(C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 22928422 BHBYDEHYXYWSFT-UHFFFAOYSA-N 442.497 1.879 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)c(Cl)c1 28208288 QVUIXIWZUFVDHH-UHFFFAOYSA-N 433.958 1.198 0 40 IDAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C(=O)N1CCCc2ccccc21 32860327 UGFOLNKFHZKODG-OAHLLOKOSA-N 447.513 1.560 0 40 IDAB O=C1N[C@H](C(=O)NCc2ccc(-n3cncn3)nc2)CS[C@H]1Cc1ccccc1F 40107054 DOGCEPYAOGBJTH-IRXDYDNUSA-N 426.477 1.261 0 40 IDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(-c3noc(O)n3)cc2)C[C@@H](C)O1 58341900 KTHANRVNQAROTC-VXGBXAGGSA-N 425.467 1.003 0 40 IDAB O=C(NC[C@H](CO)Cc1cc(F)ccc1F)C1CCN(c2ccc3nncn3n2)CC1 72303111 YNTKYLFCJQTFER-CQSZACIVSA-N 430.459 1.586 0 40 IDAB CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(=O)c(OCc3ccccc3)co2)CC1 72314254 LLDLEAORHRKWJJ-UHFFFAOYSA-N 427.457 1.029 0 40 IDAB CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)CCCN3CCCC3=O)CC2)n1 72337224 RYDZNKPUPAMQGZ-UHFFFAOYSA-N 429.565 1.984 0 40 IDAB CC(=O)OC[C@H]1O[C@H](CCc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 75629527 WORXVQFPXMAEAC-QMCAAQAGSA-N 436.457 1.745 0 40 IDAB O=C(NCCNc1nnnn1-c1ccccc1)Nc1cccc(Cn2cccnc2=O)c1 84572641 IPCXQQPRALCIAW-UHFFFAOYSA-N 431.460 1.501 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc1OC 85420715 WNDGURXLUQSKEF-ZPDADZDASA-N 439.468 1.646 0 40 IDAB CCn1ccnc1-c1cccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)CN(C)C)c2)c1 89310037 DWIUATIYFVBHIN-GOSISDBHSA-N 425.493 1.266 0 40 IDAB CCC1(CC)NC(=O)N(CC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)C1=O 95348631 WJZJSDLOEFQLJV-KRWDZBQOSA-N 449.939 1.121 0 40 IDAB O=C(OCC(=O)N1CCc2ccccc2C1)[C@@H]1CSCN1S(=O)(=O)c1ccccc1 97124683 KKZSVOUHMDMJMS-IBGZPJMESA-N 446.550 1.878 0 40 IDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(F)c(F)c3)C(=O)[C@@H]21)Nc1ccc2c(c1)OCCO2 101169303 AFGXUIHMTQMHMH-QZTJIDSGSA-N 443.366 1.668 0 40 IDAB CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)CC1 113949497 FFJFAMGPQUKSIZ-UHFFFAOYSA-N 444.395 1.765 0 40 IDAB Cc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224491270 MGDGVVVSJOCMRP-UHFFFAOYSA-N 434.514 1.590 0 40 IDAB COc1ccccc1CCN1C[C@@H](C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CC1=O 257198904 LIUIEGUMRMJMRD-SXLOBPIMSA-N 435.524 1.894 0 40 IDAB COc1cccc(Cc2cc(C)nc([C@H]3CN(C(=O)CN4CCNC(=O)C4)CCO3)c2)c1 257323585 WKZOOUBWOVOVCY-JOCHJYFZSA-N 438.528 1.321 0 40 IDAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2)CC1=O 408655215 LPJQCKXDXNLIGC-HNNXBMFYSA-N 425.441 1.679 0 40 IDAB CC(=O)Nc1cccc2c1CCN(C(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1)C2 617292101 QKILYFAZMQDRPQ-UHFFFAOYSA-N 429.498 1.711 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 3315431 GGBXFVWSPPWGRR-UHFFFAOYSA-N 448.497 1.919 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4Cl)c(C)c(C)n23)n(C)c1=O 9297133 DNTVHHFPKUBSBZ-UHFFFAOYSA-N 429.864 1.972 0 40 IDAB CCn1nc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)c2ccccc2c1=O 9499555 UMYUJBGDZSCYSX-UHFFFAOYSA-N 430.486 1.928 0 40 IDAB O=C(NCc1ccco1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1 9577959 ZMZPVYOMVYVQPY-MRXNPFEDSA-N 441.893 1.103 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 12530444 IAWWAFPOWQANGV-UHFFFAOYSA-N 448.497 1.919 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)n(C)c1=O 12547634 ZYNRVSAQLAIZDB-GOSISDBHSA-N 435.509 1.670 0 40 IDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(I)cc3)cc2[nH]c1=O 13582095 MJGZPFVMANPCMX-UHFFFAOYSA-N 443.222 1.622 0 40 IDAB CN1C[C@@H](c2cc(N(C)C)nc(C3CCN(CC(=O)N4CCCCC4)CC3)n2)CC1=O 19697493 KEXWOXZYOFQVFY-SFHVURJKSA-N 428.581 1.680 0 40 IDAB NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 22247020 TVRMXWLAHGPRLC-LJQANCHMSA-N 433.505 1.439 0 40 IDAB O=C(CCn1cnc2ccc(Br)cc2c1=O)NCc1nnc2ccccn12 23440712 WVUSHERZVQAIMC-UHFFFAOYSA-N 427.262 1.908 0 40 IDAB CCOC(=O)N1CCC(NC(=O)COC(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 25118011 MJOVYIJMDNFLMD-UHFFFAOYSA-N 431.489 1.636 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(c3ncnc4c3oc3ccccc34)CC2)C[C@@H](C)O1 26776442 TVOTVPUYHUTNSN-GASCZTMLSA-N 431.518 1.852 0 40 IDAB C[C@@H]1CN(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C[C@@H](C)O1 32899245 IVDMUIJNAONTRO-IAGOWNOFSA-N 435.546 1.987 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)NCc1ccco1 34886469 RHMDPXLILFCVIF-UHFFFAOYSA-N 447.435 1.801 0 40 IDAB Cc1ccc(-c2cnc(CCC(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1C 40094537 XIRLDJDDSFXUCF-QGZVFWFLSA-N 433.530 1.701 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)ccc21 41091408 LNTCMUQRCOMGGU-MRXNPFEDSA-N 428.470 1.333 0 40 IDAB COC(=O)c1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3ccsc3)CC2)cc1 49027070 QQPILXZUKFGLAO-UHFFFAOYSA-N 437.543 1.271 0 40 IDAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCC(=O)NCC(F)(F)F 59325562 HGAWRFFRVCCGPY-SFHVURJKSA-N 426.395 1.170 0 40 IDAB CCOC(=O)C1CCN(C(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)CC1 67301041 SSFGLBPVQTVVNF-UHFFFAOYSA-N 445.491 1.694 0 40 IDAB CC(C)(C(N)=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 72306484 FCDFDUNWQSNHGR-LAHWMRIESA-N 430.593 1.602 0 40 IDAB COc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 78899424 VKZOQLWQVNOQHQ-RDJZCZTQSA-N 444.575 1.517 0 40 IDAB CCN(Cc1c(F)cccc1F)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 79112001 KHHAPMASRJKJTF-GFCCVEGCSA-N 425.457 1.779 0 40 IDAB COC(=O)Cn1ccnc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 89587468 ZEVSHAVSQJOXLH-CYBMUJFWSA-N 449.305 1.796 0 40 IDAB COc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@]32CCN(C)C2=O)cc1 96144063 URXXOBCHMAJYIM-QHCPKHFHSA-N 428.533 1.763 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)CC1 220229346 STBDUICGJAYLCK-AWEZNQCLSA-N 443.522 1.159 0 40 IDAB CN(c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1)S(C)(=O)=O 222416699 YHYVGXHTSQLQIE-UHFFFAOYSA-N 437.543 1.229 0 40 IDAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2cnc(N(C)C)nc2)CC1 257270329 MTTJUECNQPEGSJ-PQNGQFLHSA-N 439.560 1.992 0 40 IDAB COc1ccc(OC)c(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)c1 260901718 NDWDSLKWODEDCO-HNNXBMFYSA-N 436.486 1.426 0 40 IDAB CCn1cc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c(=O)c2ccc(C)nc21 575609956 CPENTAYFORZALC-UHFFFAOYSA-N 445.487 1.058 0 40 IDAB CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 585270793 BCEMROXZOHQBHN-QHCPKHFHSA-N 427.549 1.261 0 40 IDAB COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)c1 8927535 COQFMTYEAONEJX-HNNXBMFYSA-N 444.415 1.762 0 40 IDAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O)c1cccs1 9349284 ILWCQKTVYUBISX-CYBMUJFWSA-N 437.543 1.888 0 40 IDAB C[C@@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 9597051 FTCJWAAODYMDQF-MRXNPFEDSA-N 432.498 1.742 0 40 IDAB Nc1c(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(=O)[nH]c(=O)n1C1CC1 9712736 LUBFEARDPMQTLI-UHFFFAOYSA-N 429.414 1.207 0 40 IDAB COc1ccc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 10216292 QZDRPNGZGOQRGR-UHFFFAOYSA-N 430.486 1.689 0 40 IDAB COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnnn2C)c(OC)c1 10254830 WZAKNGZQJVUYIW-UHFFFAOYSA-N 446.489 1.329 0 40 IDAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 11859333 QHYWXNZKGQQUKY-UHFFFAOYSA-N 449.554 1.572 0 40 IDAB C[C@@H]1[C@H](c2ccccc2)OCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C 12417207 JMCAFHDDCDQCDJ-AUUYWEPGSA-N 429.498 1.388 0 40 IDAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 12853207 YPSHIANEKIBASU-AWEZNQCLSA-N 435.889 1.859 0 40 IDAB COCCN(CCOC)C(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 13138925 HKWDSBPCVDTFDY-LJQANCHMSA-N 429.420 1.176 0 40 IDAB CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 14920449 ORBYXDXVSWDBFV-OAHLLOKOSA-N 444.294 1.927 0 40 IDAB Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)NC(=O)N(C)C1=O 17027411 CSZIBGKKHPBELW-OSPHWJPCSA-N 443.463 1.357 0 40 IDAB Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)CC1(CCOCC1)O2 19218702 WNJJMDQWDZHXPZ-FQEVSTJZSA-N 436.530 1.072 0 40 IDAB CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 19573791 UYYVXWIORLJVGC-UHFFFAOYSA-N 429.506 1.150 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 19631976 FIBNVTVSHQVEQT-UHFFFAOYSA-N 440.543 1.707 0 40 IDAB CCOC(=O)C1=C(CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)NC(=O)N[C@@H]1CC 21672510 NREZZBWWWOJAMU-MRXNPFEDSA-N 430.553 1.939 0 40 IDAB O=CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 26110305 BXQJTGRWKNIHKE-HNNXBMFYSA-N 448.372 1.836 0 40 IDAB CCCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)ccc1=O 32740928 APCICLJNMHLDFF-UHFFFAOYSA-N 426.445 1.078 0 40 IDAB COc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 39985761 YKLIXMBSGOJYPO-UHFFFAOYSA-N 430.486 1.728 0 40 IDAB Cc1c(C(=O)N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 40012248 SKWUOQPHBWOANJ-AWEZNQCLSA-N 435.546 1.197 0 40 IDAB NC(=O)[C@@H](CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)Cc1ccc(F)cc1 58153696 QOJMKAHREJFLIY-QGZVFWFLSA-N 438.459 1.535 0 40 IDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)CC2)no1 65552129 UWMSVUJSKBSGQR-ZDUSSCGKSA-N 429.502 1.812 0 40 IDAB C[C@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)Cn4ccnc4)CC3)n2)C1 72335946 MQRGJXJVUFQHPH-INIZCTEOSA-N 446.577 1.719 0 40 IDAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(n4c(=O)oc5ccccc54)CC2)[C@@H]3C1=O 72347854 QYNHFIMZDFWEGO-ZBNTXBBCSA-N 437.496 1.948 0 40 IDAB O=S(=O)(c1ccc(Br)cc1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 77100291 KNCGRQDEJKLFIP-UHFFFAOYSA-N 449.334 1.936 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)cc21 96099556 UMNXDLNOKOQEAV-UHFFFAOYSA-N 440.499 1.493 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCCC4)c3)CC2)cc1OC 96121064 RKWRVDFOKKRFOL-UHFFFAOYSA-N 433.534 1.605 0 40 IDAB Cc1cnc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)NC(C)C)CC3)O2)cn1 96263223 JMGCERSQOACXFI-QGZVFWFLSA-N 427.509 1.106 0 40 IDAB CCOC(=O)C1=C(N)Nc2cc(=O)nc(OC)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 100252299 NWYSMTBSPPQXKR-INIZCTEOSA-N 432.433 1.026 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 102078173 SNXXAJLSMFIACH-LBPRGKRZSA-N 442.468 1.621 0 40 IDAB C[C@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)C[C@@H](C)O1 215685907 HARZAVKWKDZNJH-UHIISALHSA-N 443.572 1.093 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 222889263 PRMLBGSARCSCOQ-KRWDZBQOSA-N 447.557 1.667 0 40 IDAB COc1cc(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc(OC)c1OC 224317784 HLJNPVDGPVQEOS-UHFFFAOYSA-N 443.504 1.301 0 40 IDAB CN(Cc1ccc(C(=O)NCCCN2CCOCC2)cc1)S(=O)(=O)c1ccccc1 224416680 OXSIUGSGCYSNAJ-UHFFFAOYSA-N 431.558 1.959 0 40 IDAB O=C(CN1CC[C@@](O)(CN2CCC(F)(F)CC2)C1)Nc1ccccc1N1CCOCC1 257220525 DLCUXXYOXRFXOW-OAQYLSRUSA-N 438.519 1.630 0 40 IDAB Cc1c(C(=O)N2CCOC[C@](O)(CNC(=O)c3cnccn3)C2)[nH]c2ccc(F)cc12 257227693 FQMIYHKXQQFCDM-NRFANRHFSA-N 427.436 1.039 0 40 IDAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 257248082 JCAKKBNWQKOJGU-LJQANCHMSA-N 434.422 1.945 0 40 IDAB Cc1cc(N2CCC[C@](O)(CNC(=O)COc3ccc(CN4CCCC4)cc3)C2)ncn1 257248569 JEGMUJCNPNVMLQ-DEOSSOPVSA-N 439.560 1.907 0 40 IDAB Cn1ccc(C(=O)N2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)n1 306134877 OAKUVHXBEKFHCO-HYBUGGRVSA-N 431.496 1.853 0 40 IDAB Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 409414243 JJIYIYXHWWGXJY-DOTOQJQBSA-N 435.546 1.917 0 40 IDAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)n1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1 599121064 FPWXRXDXPYXKHG-HNAYVOBHSA-N 435.488 1.545 0 40 IDAB CCOc1ccccc1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nnc(C)n4n3)C[C@H]2C1 1888920868 KWMCOIYGDLRSRD-HOTGVXAUSA-N 428.518 1.588 0 40 IDAB Cc1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c1 2134504 DXEGUBZOOFITMD-WGFFODHRSA-N 434.489 1.835 0 40 IDAB biogenic C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2C2CCCC2)C1=O 8718332 OTDITPFIBWZSCY-FQEVSTJZSA-N 443.533 1.855 0 40 IDAB NC(=O)c1ccc2c(c1)OCCOCCOc1ccc(C(N)=O)cc1OCCOCCO2 8892754 IFMMPVOYJASBHU-UHFFFAOYSA-N 446.456 1.147 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 8987066 JKRXVSLMUSAUSQ-OPAMFIHVSA-N 425.441 1.418 0 40 IDAB COc1ccc(CCC(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 13570969 NCCXLHNSFHHUMC-MRXNPFEDSA-N 425.533 1.519 0 40 IDAB biogenic C[C@@H](OC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)Nc1ncc(Cl)cc1Cl 14707795 QANQQQYHCLCHBC-SECBINFHSA-N 437.239 1.962 0 40 IDAB COc1ccc([C@@H]2N=C3NCN(N4CCN(C)CC4)CN3c3nc4ccccc4n32)cc1 19171516 JGEFTWQHMQGZHL-OAQYLSRUSA-N 432.532 1.750 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CN(C(=O)c2cn(C)nc2C)C[C@@H]1C(=O)N(C)C 19583426 YCOPOLPWBBCIET-AUSIDOKSSA-N 439.516 1.012 0 40 IDAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1)C(=O)OC 20762525 GJWFEFWVJNGEPG-LPHOPBHVSA-N 430.461 1.570 0 40 IDAB biogenic COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 22796663 CVJKFDQWLRPVKV-OAQYLSRUSA-N 438.528 1.825 0 40 IDAB Cc1nnc(NC(=O)CSc2nc(CC(=O)NCc3cccs3)cc(=O)[nH]2)s1 23145305 REESPVGRLYPYHJ-UHFFFAOYSA-N 436.544 1.581 0 40 IDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24779550 HNJZLLOCZOZXEW-KRWDZBQOSA-N 427.509 1.710 0 40 IDAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1C 32739505 XLEUHAKDPNEAQL-GOSISDBHSA-N 436.555 1.950 0 40 IDAB CCCCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)s1 32760011 UJZIMAVZONEFKF-UHFFFAOYSA-N 437.547 1.644 0 40 IDAB O=C(NCCCN1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 35096657 UBUUKFYNWAOISX-NRFANRHFSA-N 431.558 1.415 0 40 IDAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(F)c(F)c4)cnc32)c1 40478171 ROVLKLFHLMLMSW-UHFFFAOYSA-N 426.383 1.962 0 40 IDAB CCS(=O)(=O)NCCNC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 48290792 NJHVLFAGINMYJR-UHFFFAOYSA-N 433.456 1.501 0 40 IDAB COc1nn(C)cc1C(=O)N(C)CC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 56910689 FUUBZAXOFDPYOO-UHFFFAOYSA-N 440.426 1.263 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)c3cccs3)n2Cc2ccccc2)n(C)c1=O 57681208 JXYWNRVEDJNAMF-UHFFFAOYSA-N 438.513 1.385 0 40 IDAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1 57730143 PVEGVXFYYCKSCV-ZDUSSCGKSA-N 445.549 1.579 0 40 IDAB O=C1CCN(Cc2cc(=O)c(OCC(=O)N3CCN(c4ccccc4)CC3)co2)CC1 72404415 LLKOAEXWXKETCE-UHFFFAOYSA-N 425.485 1.532 0 40 IDAB CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 78875215 OXMMLFOMMJUFCM-GJZGRUSLSA-N 449.533 1.533 0 40 IDAB CS[C@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1N1CCCC1 97163898 XTJIQSKEPABWEI-ROUUACIJSA-N 437.587 1.514 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@]4(CN(c5cccc(OC)c5)C(=O)[C@H]24)O3)CC1 101416176 CYBWPEYKLISFFX-QPXQOZNCSA-N 441.484 1.282 0 40 IDAB O=C(NCc1nc(-c2ccccc2)no1)c1cccc(S(=O)(=O)N2CCOCC2)c1 219992226 SUZBDDYIRKLYBO-UHFFFAOYSA-N 428.470 1.688 0 40 IDAB CCN(c1ccc(C(=O)Nc2nnc(SCC(=O)OC)s2)cc1)S(C)(=O)=O 225580975 WFAWAPIAEUGCAO-UHFFFAOYSA-N 430.533 1.841 0 40 IDAB Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)ccc1OCC(=O)N(C)C 226686053 ACTLIOMEAFAFGX-INIZCTEOSA-N 425.551 1.387 0 40 IDAB CCOCCCN1C[C@@H](C(=O)N2[C@H]3CC[C@H]2Cn2c(nc4ccccc4c2=O)C3)CC1=O 248319318 PZSBIVAHCRRGMO-BZSNNMDCSA-N 438.528 1.587 0 40 IDAB CN(C)S(=O)(=O)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 257341357 ZJZPCAPKOURGGG-GOSISDBHSA-N 428.942 1.875 0 40 IDAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 409017990 OQLZICQMZSEUPF-UHFFFAOYSA-N 447.513 1.842 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@H]2CN(c3nccs3)C[C@H]2C1 1888919663 IYWDCMICLRSNJM-CALCHBBNSA-N 448.570 1.372 0 40 IDAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 1357704 JNHUDBHMUSMDDS-DNVCBOLYSA-N 432.550 1.758 0 40 IDAB CCCCn1c(SCC(=O)N2CCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C 6162125 XQXBJGDAGPQEIO-UHFFFAOYSA-N 427.530 1.915 0 40 IDAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCC(=O)OC 8660994 SRQPIZJHCDNBAJ-BJMVGYQFSA-N 446.197 1.422 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 8672185 VRLRUOHEYJCNHB-CYBMUJFWSA-N 441.506 1.513 0 40 IDAB O=C(NCCC(=O)N1CCC2(CC1)NCCc1[nH]cnc12)c1ccc(Br)o1 9410843 CAEMFWVNYQGWOX-UHFFFAOYSA-N 436.310 1.549 0 40 IDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9465427 QHNWCSLXNCZPKE-UHFFFAOYSA-N 428.470 1.056 0 40 IDAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3nonc3NC(C)=O)n2C)cc1 9878046 QRUZBXKOCGGXLW-UHFFFAOYSA-N 431.434 1.341 0 40 IDAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCn2c(=O)n(C)c3ccccc32)cc1 10824397 IDLYUYLYNIOIDX-UHFFFAOYSA-N 444.557 1.874 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)c1C 11105529 QCGARBZXRRXYGP-NSHDSACASA-N 438.458 1.502 0 40 IDAB COc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCOCC3)c3nnnn3c2c1 13150730 XZPRJJWKXONVBX-LJQANCHMSA-N 435.492 1.809 0 40 IDAB COc1ccc([C@@H](CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)N(C)C)cc1 14119102 WUNJDQSNKNPEHC-GOSISDBHSA-N 430.530 1.543 0 40 IDAB COc1ccc(C(=O)N(C)CC(=O)NC(C)(C)C)cc1S(=O)(=O)NC1CCCC1 15817686 OOAHYZFMPQYVST-UHFFFAOYSA-N 425.551 1.903 0 40 IDAB CC(C)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1Cl 16839461 WHMIWIBEIKIPJO-CYBMUJFWSA-N 435.912 1.595 0 40 IDAB CCn1nccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC)cc1)C(C(=O)OC)=C(C)N=2 17102241 QMGOVDDJWPAEOB-WPNIOXTASA-N 438.509 1.633 0 40 IDAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 19045900 QOMRTAMECKUYSL-QFIPXVFZSA-N 438.440 1.223 0 40 IDAB O=C1CCC[C@]2(CN(C(=O)c3cnc(N4CCOCC4)nc3)C[C@H]2c2ccccc2F)N1 19368192 MLJAPTSVFFMBRG-FDDCHVKYSA-N 439.491 1.731 0 40 IDAB CN1CCN(C(=O)C(Sc2nccc3ccccc23)C(=O)N2CCN(C)CC2)CC1 33429195 XYBMBGLFYTVXRU-UHFFFAOYSA-N 427.574 1.244 0 40 IDAB O=C(CSC[C@H](O)[C@@H](O)CSCC(=O)Nc1nccs1)Nc1nccs1 40546179 DWNVBUNXOFHDRL-UWVGGRQHSA-N 434.590 1.365 0 40 IDAB Cc1ccc(N2N=C(C(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)NCC2=O)cc1 58173694 CASOYUWXEZOMEY-GOSISDBHSA-N 425.489 1.336 0 40 IDAB CSCC[C@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)O 61720124 APTWHERGQWRFMQ-AWEZNQCLSA-N 440.319 1.995 0 40 IDAB Cc1ncsc1CN1C(=O)CO[C@H](c2ccc(NC(=O)c3cnccn3)cc2)[C@H]1CO 72321211 CQFLPRVXXKYNGZ-YLJYHZDGSA-N 439.497 1.955 0 40 IDAB biogenic,in-vitro CC(=O)Nc1ccc(N(C[C@H](O)CNCC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 95117132 OJIGQMOBYFZHNX-GOSISDBHSA-N 435.502 1.184 0 40 IDAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 96116442 XQUKAYLGQXOATK-AABGKKOBSA-N 448.523 1.737 0 40 IDAB biogenic COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(OC)cc3)c(=O)n12 101765436 VHLUQZNUIQOUOE-NCSXYHBRSA-N 436.489 1.868 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 102611040 OSBGSEHADJMEIK-UHFFFAOYSA-N 444.440 1.484 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 169685339 VCIRVTJQPNZIIS-ZTENYAIWSA-N 439.342 1.971 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222482252 DPEBKDYZQMXDAP-MRXNPFEDSA-N 443.525 1.693 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1F 238849482 JCVVKESWECWSMJ-UHFFFAOYSA-N 432.499 1.033 0 40 IDAB CCn1c(CCCC(=O)N2C[C@@H](O)[C@H](n3cc(F)c(O)nc3=O)C2)nc2ccccc21 257260999 LFJFKMDSIGXXMC-IAGOWNOFSA-N 429.452 1.225 0 40 IDAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cc(C)on4)cc3)C(=O)[C@H]12 408668617 VFNVWHMOJABZKL-ZXUOCUECSA-N 435.436 2.480 0 40 IDAB O=C1NC(=O)C2(CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)Cc4ccccc4-5)C3)CC2)N1 506128386 DYOIMJPHLPJUSY-QGZVFWFLSA-N 444.491 1.811 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(C(N)=O)cc2)(c2ccccc2)CC1 506977314 KNZPOXPEMQCBHQ-UHFFFAOYSA-N 429.542 1.785 0 40 IDAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[C@H]1CCN(c2ccccn2)C1 509732517 XTIORBJTPHLZIF-IBGZPJMESA-N 431.562 1.988 0 40 IDAB Cc1[nH]c(-c2ccncc2)nc(=O)c1Cc1nc(-c2ccc(N3CCN(C)CC3)nc2)no1 545018113 NAEKGIXXFQEDSQ-UHFFFAOYSA-N 444.499 1.928 0 40 IDAB Cc1nnc2n[nH]c(NC(=O)[C@@H]3[C@H](C)C=C[C@@H]4C(=O)N(CC(F)(F)F)C(=O)[C@@H]43)c2c1C 1140401211 HTROFTQCQJFMAB-UWXZRWETSA-N 436.394 1.894 0 40 IDAB Cc1nc(N2C[C@H]3CN(C(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C[C@@H]3C2)nc(O)c1F 1888897863 RFZPUYDWEZWTEL-HUUCEWRRSA-N 449.508 1.088 0 40 IDAB COc1ccc(F)c(CN2CCO[C@]3(CO[C@@H](C(=O)NCCCn4ccnc4)C3)C2)c1 2056225941 FTLKTUIMOGODAX-IRLDBZIGSA-N 432.496 1.597 0 40 IDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1C 3406016 VJMXYBCBGMOBHI-UHFFFAOYSA-N 429.498 1.864 0 40 IDAB Cc1ccc(C)c(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 3557237 KUCCWKAMGIUBCG-UHFFFAOYSA-N 446.525 1.987 0 40 IDAB NC(=O)Cn1c(CN2CCC(C(=O)N3CCCCCC3)CC2)nc2ccccc2c1=O 8879893 ZKJSVAQIVPXLEZ-UHFFFAOYSA-N 425.533 1.496 0 40 IDAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)c1ccco1 9337634 IPHIRKYWCCMUST-UHFFFAOYSA-N 446.312 1.849 0 40 IDAB O=C1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)NC(N2CCN(c3ccccc3)CC2)=N1 9355698 KZRULPSYDLOSBS-GOSISDBHSA-N 435.484 1.463 0 40 IDAB Nc1c(C(=O)CSc2nnc(N3CCCCC3)n2C2CC2)c(=O)[nH]c(=O)n1C1CC1 11372716 ZLWLFDSNUYADOE-UHFFFAOYSA-N 431.522 1.345 0 40 IDAB COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)c1 12029785 JMVNJXIOIAMRGP-MRXNPFEDSA-N 439.511 1.917 0 40 IDAB COCCc1nnc(NC(=O)CN2CC3(CCOCC3)Oc3ccccc3C2=O)s1 12086847 QLRCTRWFEXDVGX-UHFFFAOYSA-N 432.502 1.750 0 40 IDAB CS(=O)(=O)Nc1nc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2s1 12324102 SIEFZVQDHLDGDL-UHFFFAOYSA-N 440.528 1.245 0 40 IDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 12886533 SJZKTGOZDCEJOJ-LJQANCHMSA-N 447.488 1.828 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Br)cc3)c2)CCN1 13012103 PHOKRTPBEZWJKH-UHFFFAOYSA-N 438.303 1.822 0 40 IDAB O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19077782 FWADJPBYCPPRGO-UHFFFAOYSA-N 432.527 1.993 0 40 IDAB O=S1(=O)C[C@H](N2CCN(c3ccc(F)cc3)CC2)[C@@H](S(=O)(=O)c2ccccc2)C1 19796916 SDSNYLXTHJSGKV-PMACEKPBSA-N 438.546 1.587 0 40 IDAB CN(C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCCN1CCOCC1)c1ccccc1 20503919 PPDLDTCUZKEDHU-JAXLGGSGSA-N 431.650 1.630 0 40 IDAB biogenic,in-vitro Cc1ccc(CNC(=O)c2nnc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)s2)cc1 32770483 DVTADUKFBLHKRU-QGZVFWFLSA-N 429.546 1.600 0 40 IDAB Cn1ccnc1[C@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2)c1ccccc1 69598833 DOURNRBTQIZZQW-MRXNPFEDSA-N 435.469 1.634 0 40 IDAB CCc1nnc(NC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)s1 72326845 LBJCGIXLVREFOW-YUNKPMOVSA-N 428.518 1.992 0 40 IDAB O=C(NCCn1nnn(-c2cccs2)c1=O)C1CCN(C(=O)c2cccs2)CC1 72341030 LOXKQQMRRCUWSF-UHFFFAOYSA-N 432.531 1.221 0 40 IDAB Cn1c(=O)c2ccc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)nc2n(C)c1=O 72374591 NPCZEKIZEPXEDV-KRWDZBQOSA-N 432.477 1.687 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H](CO)c2ccccc2)c1 79019867 XHNDVXZZHZHBER-LJQANCHMSA-N 447.557 1.339 0 40 IDAB CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(I)c1 97379370 RAVAWLUJURWVGF-ZJUUUORDSA-N 428.317 1.943 0 40 IDAB O=C1C[C@H](N2CCN([C@@H]3CC(=O)N(c4ccccc4)C3=O)CC2)C(=O)N1c1ccccc1 100393908 JMZMOIGUGYEDAE-BGYRXZFFSA-N 432.480 1.268 0 40 IDAB Cc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)C2=O)cc1 101312704 UCOUGHNJGNQGCD-GHTZIAJQSA-N 435.480 1.611 0 40 IDAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(S(C)(=O)=O)cc1 219268006 OKOYQHVPLIBMGC-DOTOQJQBSA-N 431.580 1.176 0 40 IDAB COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNCc4ccc(F)cc4)[C@@H](O)[C@H]3O2)cc1 225512662 BKDIXJYYROZDDX-CNSORXHKSA-N 444.503 1.916 0 40 IDAB biogenic,in-vitro COCCNC(=O)CN1CC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 257281336 OORZVPYFUBSTBT-IBGZPJMESA-N 437.544 1.816 0 40 IDAB COc1ccc(N(CC(=O)NCCO)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl 408596713 XQBSFGRYNAADQM-UHFFFAOYSA-N 442.921 1.969 0 40 IDAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)c(C)c2)cc1 408598111 ZYOHQFFJXNOMEX-UHFFFAOYSA-N 447.557 1.931 0 40 IDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1 408693482 WQIHLEIKTASAOP-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB CC(C)(CO)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 679316954 PTJWNEUYXOCJMB-INIZCTEOSA-N 425.476 1.808 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)C5CCCCC5)C[C@@H]4C3)ncnc21 1888906408 KYFMLTDLNWJOEI-HOTGVXAUSA-N 434.566 1.503 0 40 IDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)c5cncc(Br)c5)C[C@H]4C3)ncnc21 1888910351 KDVGLIDBASYKJI-CHWSQXEVSA-N 428.294 1.729 0 40 IDAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCc1cc(=O)n3cc(Br)ccc3n1)CS2 3397418 SXZQAKATRVHUGV-PXAZEXFGSA-N 438.303 1.954 0 40 IDAB CCCCN1C(=O)c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1=O 3550405 KUVGUQPTACAFJH-UHFFFAOYSA-N 429.498 1.703 0 40 IDAB CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2c1c(=O)n(C)c(=O)n2C 6198420 ZXACMPCWIQFMSQ-UHFFFAOYSA-N 430.490 1.143 0 40 IDAB C[C@H]1Sc2ccc(C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2NC1=O 8713600 CWDIOAURFUXFGI-SNVBAGLBSA-N 435.483 1.562 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCc2ccncc2)cc1 9715279 WOAITJKYWZUANR-IBGZPJMESA-N 444.557 1.756 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 10095269 BOWLSJLMKJOBIO-UHFFFAOYSA-N 441.531 1.232 0 40 IDAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 10251347 FCLWBCSDNSRKCF-CQSZACIVSA-N 432.415 1.845 0 40 IDAB C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 10525992 JJNGAWHCBRERNW-AWEZNQCLSA-N 433.486 1.355 0 40 IDAB CN(C)[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc2c(c1)OCO2 12196754 BGERZPUOVDSXPY-QGZVFWFLSA-N 445.497 1.650 0 40 IDAB COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CN(C)Cc2ccco2)c1C(=O)OC 12767771 WOPIQKQHQKLPGL-UHFFFAOYSA-N 438.458 1.700 0 40 IDAB COc1ccc(CN2CCN(C(=O)NCc3ccnc(N4CCOCC4)c3)CC2)cc1 12985228 SAKBNEUGZIBCFN-UHFFFAOYSA-N 425.533 1.954 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1cccc(Cl)c1 13640113 TWBGQHGVDRMKGX-JKSUJKDBSA-N 436.896 1.820 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3cccc(F)c3)C1)C2=O 19699747 YPLIYBZVYISGIM-SFHVURJKSA-N 444.507 1.682 0 40 IDAB CNc1nc(C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)nc2c1CCNC2 19710936 CUBMZFQNYUSNTC-UHFFFAOYSA-N 435.525 1.880 0 40 IDAB CC(C)CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 20533480 DLRGHJDVKISZIR-UHFFFAOYSA-N 438.576 1.798 0 40 IDAB CCN1CCN(C(=O)CCCCCn2c(=O)[nH]c3cc(C(=O)OC)ccc3c2=O)CC1 20616772 LSRCPXCDWYQYEQ-UHFFFAOYSA-N 430.505 1.201 0 40 IDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(Cc3csc(-c4ccco4)n3)CC2)C1=O 22989978 BPMMPBVXMABRIT-OAQYLSRUSA-N 443.529 1.768 0 40 IDAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 23134679 TVRCNSNLUYHMDX-UHFFFAOYSA-N 429.484 1.979 0 40 IDAB Cn1ncc2c(=O)n(CC(=O)Nc3ccccc3NS(=O)(=O)c3cccs3)cnc21 23194848 WLGHHZHHDFAICC-UHFFFAOYSA-N 444.498 1.631 0 40 IDAB CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)CC1 24611029 ZXUMMDZNQJHJAQ-UHFFFAOYSA-N 437.562 1.838 0 40 IDAB COc1cc(/C=C/C(=O)OCC(=O)N2CCNC2=O)ccc1OCc1c(C)noc1C 24919820 HYZKYDCSPZHNCS-FNORWQNLSA-N 429.429 1.987 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 26537831 ILCNTXAHHWWWSQ-SFHVURJKSA-N 433.534 1.137 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1F 32717949 OUUXVOUVHUISMO-UHFFFAOYSA-N 426.901 1.756 0 40 IDAB CCOC(=O)/C=c1/s/c(=C/c2ccsc2)c(=O)n1CC(=O)NCc1ccc(F)cc1 33463047 YPISPSXOMZRNBA-LVOXPBLISA-N 446.525 1.599 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1CC(=O)N[C@@H]1CCCC[C@@H]1C 33531072 ZAJVTOBDHGIBFN-ITRMWBFSSA-N 446.544 1.916 0 40 IDAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCC(=O)N[C@@H]3CCS(=O)(=O)C3)c12 48287709 FEBQMAWAPLUZJI-GFCCVEGCSA-N 446.460 1.370 0 40 IDAB Cc1ccc(NCCCNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nc1 72290018 XKPGRZKXXIRLJM-UHFFFAOYSA-N 434.566 1.451 0 40 IDAB O=C(NC[C@@H](CO)Cc1cc(F)ccc1F)C1CCN(c2ccc3nncn3n2)CC1 72303110 YNTKYLFCJQTFER-AWEZNQCLSA-N 430.459 1.586 0 40 IDAB COC(=O)c1cc(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)ccc1Br 89404347 DJMKLPDUKARPKC-LBPRGKRZSA-N 433.324 1.377 0 40 IDAB O=C(c1ccno1)N1C[C@@H]2[C@H](C1)c1nc(NCc3ccccc3)ncc1CS2(=O)=O 96252077 AQOMOYFJZDEPKE-DOTOQJQBSA-N 425.470 1.613 0 40 IDAB COc1ccc(CCNc2ccc(C(=O)O)cc2S(=O)(=O)NCCCO)cc1OC 217462425 WOUJETPCPHYFTA-UHFFFAOYSA-N 438.502 1.717 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222850222 GVIWVOCXWXWVOW-CQSZACIVSA-N 445.497 1.003 0 40 IDAB COCCC(=O)N1C[C@@H](c2ccnn2C)[C@@]2(CCCN(Cc3csc(C)n3)C2=O)C1 306124260 BKVPNKISOVRYHY-LAUBAEHRSA-N 431.562 1.956 0 40 IDAB O=C(NCCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 408591489 JETKOIBFDRDJLE-MRXNPFEDSA-N 429.970 1.579 0 40 IDAB O=S1(=O)CC[C@H](N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc3ccccc3c2)C1 575425545 ZSCZRJLGZOKNLN-CALCHBBNSA-N 443.568 1.205 0 40 IDAB CC(C)N1CCN([C@H]2CCN(C/C=C/CN3CC[C@@H](N4CCN(C(C)C)CC4)C3)C2)CC1 610394625 PCWZFPIIEWPBKO-COTLFELJSA-N 446.728 1.743 0 40 IDAB C[C@]1(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)OCCc2sccc21 1629053125 DTGAWVGBURJAGP-FXCLAUTBSA-N 432.517 1.996 0 40 IDAB O=c1ccc(-c2ccncc2)nn1C1CN(S(=O)(=O)c2cccc3nsnc23)C1 1775978161 NTGKHERBPBTWKK-UHFFFAOYSA-N 426.483 1.556 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2cccs2)CC1 3406678 HJHGLAQCQUNMSH-UHFFFAOYSA-N 430.529 1.215 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 9068012 ZMZTUOXPFGWLPV-SFHVURJKSA-N 443.481 1.713 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccn4)CC3)C2)cc1 9134623 RFXMENYQOLYYAP-SFHVURJKSA-N 444.557 1.840 0 40 IDAB COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 9283396 ITTHZAUWSTUXNJ-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB COc1cccc(OCC(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 12163187 MJJTWQJWQBNFPW-UHFFFAOYSA-N 448.545 1.127 0 40 IDAB CCN1c2nc3ccccn3c(=O)c2C[C@@]2(C(=O)NC(=O)N(C3CCCCC3)C2=O)[C@@H]1C 13556775 TWTCQJURLIHJPQ-PSLXWICFSA-N 437.500 1.863 0 40 IDAB COc1cccc(NS(=O)(=O)c2cc(N3C(=O)[C@H](C)CS3(=O)=O)ccc2OC)c1 13734443 NHTMUVAIPOSNFT-GFCCVEGCSA-N 440.499 1.817 0 40 IDAB Cc1cc(C)c2c(c1)[C@@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15959537 RPQFRVHPUSVADI-DJXPEODFSA-N 433.508 1.647 0 40 IDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 16093109 RVKJMMMPXXMWBR-OAHLLOKOSA-N 430.548 1.435 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19530596 WFLFNNVOUSSOAL-QGZVFWFLSA-N 431.537 1.060 0 40 IDAB Cc1ncc(C(=O)N2CCO[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c(C)n1 19762851 BRKKVCDRDSHXTK-NRFANRHFSA-N 435.484 1.577 0 40 IDAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(CC)CC3)cc2c1 20082365 YIRKCVXVIRCUHZ-FQEVSTJZSA-N 425.537 1.450 0 40 IDAB Cn1nnnc1-c1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c1 23098186 OPMYWLSYBCRSIT-UHFFFAOYSA-N 426.502 1.889 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN(C)C3CCCCC3)CC2)c1 23695293 AAXXLBLCFPTRRC-UHFFFAOYSA-N 439.578 1.801 0 40 IDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c12 31758734 DAACFAVBGCFADI-UHFFFAOYSA-N 425.445 1.218 0 40 IDAB CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 33325517 RGCHDZFJVBKURC-GOSISDBHSA-N 430.530 1.522 0 40 IDAB Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)NCCN3CCCS3(=O)=O)CC2)c1 58210583 WHJVFQMEKHBXDL-LJQANCHMSA-N 437.610 1.230 0 40 IDAB Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 69778909 DWRXUKDSMMBOMB-OAHLLOKOSA-N 426.521 1.913 0 40 IDAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)cc1 95410458 RUKKSCCNIQRAOF-OAHLLOKOSA-N 433.534 1.559 0 40 IDAB CC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)ccc1C 95454386 FGOHECNUARRFSW-UHFFFAOYSA-N 429.506 1.210 0 40 IDAB COc1ccc(-c2nnc(SCC(=O)NCCC(=O)Nc3ccccc3)n2N)cc1 95979957 RNDLZDJYWVZLAV-UHFFFAOYSA-N 426.502 1.905 0 40 IDAB CCOCCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 96012250 WYTAHNJXDIILJF-CQSZACIVSA-N 439.456 1.161 0 40 IDAB COc1ccc(-c2nn([C@H](C)C(=O)NCCCN3CCOCC3)c(=O)cc2OC)cc1 96101079 UPSPRVVPQCJXRB-MRXNPFEDSA-N 430.505 1.327 0 40 IDAB O=C(N1CCCC1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ccccn3)C[C@@H]2C1 96251498 JVMWIBRFALYLSH-CVDCTZTESA-N 427.549 1.675 0 40 IDAB COCCn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2cc(S(N)(=O)=O)ccc21 100872970 OJRXVUMVICUUNC-VZCXRCSSSA-N 449.510 1.524 0 40 IDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21)Nc1ccc2c(c1)OCCO2 101166619 RZZRTAUGFWTTAH-ZWKOTPCHSA-N 425.376 1.529 0 40 IDAB COc1cc(CN(C)S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc(OC)c1OC 223018686 KPAAXMLPFCJATC-UHFFFAOYSA-N 444.531 1.905 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCOC(C)C 224450107 AQEYNGDSOHOXBT-UHFFFAOYSA-N 428.551 1.580 0 40 IDAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C(=O)N(c5cccc(O)c5)C(=O)[C@H]34)[C@H]2C(=O)N1c1cccc(O)c1 245231358 CEYMZESSFHGLPA-XETNVZRVSA-N 430.416 1.825 0 40 IDAB CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1=O 643555603 CDSQFUNOVUFGBA-HSZRJFAPSA-N 426.517 1.895 0 40 IDAB C[C@H]1C[C@@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C(=O)N1c1cnn(C)c1 645037760 KTTVFNTVZYQGFR-WCQYABFASA-N 444.293 1.729 0 40 IDAB C[C@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@](C)(O)c3cccc(F)c3)cn2)C[C@@H](C)O1 1623184537 XTGNAGCUMIVWKJ-ZSDSOXJFSA-N 433.484 1.687 0 40 IDAB COc1cc(C)c(S(=O)(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)cc1C 1888941742 KIJVHUVJSCQEEH-IYBDPMFKSA-N 442.545 1.746 0 40 IDAB O=C1CCCN1CCOCC(=O)N1CCO[C@@H](c2cccc(Nc3nccs3)n2)C1 2037834439 DTHZCPJEEFRNIB-MRXNPFEDSA-N 431.518 1.821 0 40 IDAB CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)COc3ccc(F)cc3)c2n1 8947403 XTUJHXQIEZKVSA-UHFFFAOYSA-N 446.508 1.719 0 40 IDAB O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCOCC1)Cc1cccnc1 9344770 SXYUQPXEBBJYGA-UHFFFAOYSA-N 442.925 1.346 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NCc3ccco3)CC2)cc1 9435564 WWBIPRNGRNQLLY-HNNXBMFYSA-N 449.529 1.510 0 40 IDAB O=C(NCCc1ccc(F)cc1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 9576796 OTPFKSYAOBMOQA-LJQANCHMSA-N 449.504 1.038 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)cc1 9630414 PPBWNUMXJMEBBS-UHFFFAOYSA-N 430.479 1.656 0 40 IDAB O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 10109525 GQUZQBANGJWXTO-KRWDZBQOSA-N 441.509 1.730 0 40 IDAB O=C1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)c2c(nc(N3CCCCC3)[nH]c2=O)N1 12391487 DPRCUELSPVYLGH-CYBMUJFWSA-N 425.445 1.596 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)C[C@@H](C)O1 12598721 IIQNAOVFOSBSRB-CALCHBBNSA-N 445.545 1.237 0 40 IDAB CN(CC(=O)NC(C)(C)C)C(=O)CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 12918910 FSMMGZSSPFZQMW-UHFFFAOYSA-N 432.609 1.720 0 40 IDAB CCOC(=O)C1=C(COC(=O)/C(=C/c2ccccc2)n2nnnc2C)NC(=O)N[C@@H]1C 13062651 XCCYAWWVTFXMKF-YUSFRKCESA-N 426.433 1.041 0 40 IDAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 13084858 AXCKCKKKDZFXIL-NRFANRHFSA-N 447.532 1.842 0 40 IDAB COc1ccccc1N(CC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccc(C)cc1 13612290 MEUIZNAJNZIUGE-UHFFFAOYSA-N 431.514 1.500 0 40 IDAB Cc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)n(C)n1 13614533 PVLOIOYKOITGSC-UHFFFAOYSA-N 432.462 1.052 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 13806214 ZKBFZZVOBNMNKK-MRXNPFEDSA-N 427.505 1.552 0 40 IDAB CCN(C(=O)CCNC(=O)c1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14584263 SVVVIIQMVQOHJY-UHFFFAOYSA-N 449.511 1.649 0 40 IDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 15954556 XEFYLLYIUVFEEH-CRAIPNDOSA-N 447.532 1.950 0 40 IDAB biogenic CCn1nc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc2c1=O 16964499 CDYYJRJZMGSWMC-FQEVSTJZSA-N 448.479 1.683 0 40 IDAB COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(Cc2nc(C(C)C)no2)CC1 22891683 YFRKHYWAOSCKQJ-UHFFFAOYSA-N 430.509 1.916 0 40 IDAB Cc1cc(NC(=O)CSc2nc(=O)n(CCCN3CCOCC3)c3c2CCCC3)no1 22909252 KNCCDVKLTHHGIY-UHFFFAOYSA-N 447.561 1.872 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)CNC(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CC2 32101549 LCXDEDKVQBESDH-GOSISDBHSA-N 437.496 1.758 0 40 IDAB biogenic CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1COc2ccccc2O1 32675396 NQYCJEFLTDMPEW-AUUYWEPGSA-N 429.498 1.706 0 40 IDAB COc1ccc(-n2cnc3cc(C(=O)N[C@H]4CCS(=O)(=O)C4)ccc3c2=O)cc1Cl 36354177 CCXZQBVCAZOLDC-ZDUSSCGKSA-N 447.900 1.965 0 40 IDAB COC(=O)c1cn([C@H]2CCCC[C@@H]2NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)nn1 40152509 TUDJJWLHMPJTJQ-HOCLYGCPSA-N 446.508 1.262 0 40 IDAB CSc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nc1C 58155171 ONOYVMAHRHOOJE-UHFFFAOYSA-N 426.545 1.546 0 40 IDAB C[C@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O 58264799 PECSNNBNNYILSQ-JOCHJYFZSA-N 433.424 1.618 0 40 IDAB O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN(C(=O)C2CC2)C1 58356877 LKSDLYZEICPFEJ-QGZVFWFLSA-N 432.952 1.753 0 40 IDAB CCN(CCO)C(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C(C)C 84774005 DJDYJAKKBFJVAM-SFHVURJKSA-N 427.567 1.312 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)cc1C 101502594 CNYKHWJPPNKXSN-NRFANRHFSA-N 441.553 1.937 0 40 IDAB Cc1cc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)no1 102539700 GIOATLHAKLVXOT-CFPPRVJZSA-N 449.463 1.883 0 40 IDAB CN1CCN(C[C@]2(O)CCN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)C2)CC1 257330415 XOHDGSWUOHIHPG-HSZRJFAPSA-N 425.533 1.497 0 40 IDAB O=C1CCCN1C[C@H]1CC[C@@]2(COCCN(Cc3ccccc3N3CCOCC3)C2)O1 306130926 JSTFAAKNGCUWMG-ZJSXRUAMSA-N 429.561 1.896 0 40 IDAB Cn1cc(C(=O)N2CCOC[C@@]3(CC[C@@H](CNc4ncccn4)O3)C2)c(=O)c2ccccc21 306136780 QCXYZYJALLLABA-BXKMTCNYSA-N 449.511 1.831 0 40 IDAB Cn1c(C(=O)NCCNC(=O)c2c(-n3cnnn3)sc3c2CCC3)cc2ccccc21 524733096 UFEFGDQZSXRHLP-UHFFFAOYSA-N 435.513 1.864 0 40 IDAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCOCC3)c2C)CCN1Cc1ccccc1 585261820 QYOPCRJEJSQMRS-QHCPKHFHSA-N 436.556 1.904 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)COc3ccc4c(c3)cc(C)n4C)[C@H]2O)CC1 585269184 XAKJQWMWUIVBJR-KIFXHHALSA-N 442.560 1.428 0 40 IDAB O=C(Cc1ccccc1)N1CC[C@](O)(CN2CCN(Cc3ccc(F)cc3)CC2)[C@@H](O)C1 585289496 ISXPFIBCCKZSHO-ZCYQVOJMSA-N 441.547 1.510 0 40 IDAB CCOC(=O)[C@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)[C@H](O)c1ccncc1 1169734768 GVEGNWPNMDPMHH-NHCUHLMSSA-N 427.457 1.369 0 40 IDAB Cc1cccc(C(=O)N2CCN3CC(=O)Nc4cc(-c5ncnn5C)ccc4OC[C@H]3C2)c1 1772594444 ALWPMYQVFXKNEJ-LJQANCHMSA-N 446.511 1.948 0 40 IDAB COc1ccc(C(=O)N2CCC3(CC2)N(Cc2ccccc2)C(=O)[C@H]2CN(C)CCN23)cn1 1772595239 FUESMTDVDQRHNP-OAQYLSRUSA-N 449.555 1.681 0 40 IDAB O=C1NCCNC(=O)[C@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1cccnn1)C2 2037818663 HODYAHBXMFPQOX-XMMPIXPASA-N 449.511 1.584 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc3c(c1)OCO3)n2C 8746490 GJLOFENJNATKCI-UHFFFAOYSA-N 444.513 1.801 0 40 IDAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCCCOC(=O)Cc1n[nH]c(=O)c2ccccc12 8884419 BRINOPUCRWAVKH-UHFFFAOYSA-N 448.435 1.421 0 40 IDAB O=C(N[C@H](CO)c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9050993 RMNFUWQGSZPCEF-DOTOQJQBSA-N 446.554 1.942 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)Cc2cccc3ccccc23)cc1 9491539 XCAJTKWVZCDAFV-UHFFFAOYSA-N 425.510 1.505 0 40 IDAB Cc1nc(S[C@H](C)C(=O)NC[C@H]2CCCO2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525618 OUIVYXKZHYXDQE-TZMCWYRMSA-N 435.550 1.230 0 40 IDAB Cn1c(=O)c2cc(C(=O)NCC(=O)c3ccccc3)n(Cc3ccccc3)c2n(C)c1=O 11845111 HWZHUYGYUPBCBS-UHFFFAOYSA-N 430.464 1.700 0 40 IDAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCO2 12163097 NTTCLEBZGFAFTO-UHFFFAOYSA-N 432.502 1.082 0 40 IDAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)CC1=O 12322194 NHCJEFQOWJPSNF-AWEZNQCLSA-N 431.470 1.512 0 40 IDAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H]3C=CS(=O)(=O)C3)cc2)cc1 12391606 UAMLWVFEVPOILA-INIZCTEOSA-N 436.511 1.214 0 40 IDAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NC[C@H]2CCCO2)C(=O)[C@]31C 12868335 XGDXGVGJOYVJQV-WXQIDZRNSA-N 440.500 1.896 0 40 IDAB biogenic C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)NCc1ccc2c(c1)OCO2 13127960 KQYXZMUAFZESOO-YPMHNXCESA-N 439.515 1.573 0 40 IDAB Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 13691643 ZUCFXFUGGHQVNO-JCYILVPMSA-N 428.576 1.383 0 40 IDAB O=C(COc1ccccc1Cc1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14083664 LYZAHBQCBLMIOJ-NRFANRHFSA-N 428.554 1.988 0 40 IDAB COc1ccc(OC)c(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 20758502 TVKUUVFZYVNBMY-SFHVURJKSA-N 425.445 1.994 0 40 IDAB biogenic CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 25384691 UZJINQSFPIPZLF-QGZVFWFLSA-N 437.543 1.589 0 40 IDAB COc1ccc([C@H](CNC(=O)c2cc3c([nH]c2=O)CCCC3=O)N2CCOCC2)cc1 29881644 VKSKRXIEELBZDA-FQEVSTJZSA-N 425.485 1.706 0 40 IDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)s1 32741565 UOLDBVZVGKTVQT-HNNXBMFYSA-N 442.559 1.288 0 40 IDAB C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccccc3Br)CC2)C[C@@H](C)O1 40086123 LIMBIHZNBHZACT-HUUCEWRRSA-N 432.384 1.921 0 40 IDAB O=C(CCCNc1ncccn1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 40129622 KWWXVDRAQAWMGW-UHFFFAOYSA-N 425.461 1.480 0 40 IDAB COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3snnc3C)CC2)cc1 43942221 VGXCZQGVCUTXPY-UHFFFAOYSA-N 445.501 1.240 0 40 IDAB COc1ccc(OC)c(N(CC(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)c1 44840423 GNHHGNJAGFXIPW-UHFFFAOYSA-N 444.513 1.972 0 40 IDAB NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2S1 79492104 DICCXHOPHCSSGA-RYRKJORJSA-N 436.445 1.936 0 40 IDAB COc1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)C(C)C)cc1 95402690 CSDZVDZRMVRDJE-HNAYVOBHSA-N 427.505 1.678 0 40 IDAB CCc1ncc(C(=O)NCCC(=O)N2CCN(C(=O)c3cnc(CC)s3)CC2)s1 95451343 VFDFSSNZOKQUMN-UHFFFAOYSA-N 435.575 1.829 0 40 IDAB CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NCCc4ccccn4)cn23)C1 96156769 LDJJCUPYNAROFE-SFHVURJKSA-N 436.520 1.067 0 40 IDAB COCCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)C4CC4)nn3c(O)c2C1 100243310 TUIIOUMDLLPYQU-SFHVURJKSA-N 427.505 1.820 0 40 IDAB C[C@H](CNC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 100775142 QTKREROYBHNMOS-AZHJKWFKSA-N 434.533 1.851 0 40 IDAB biogenic COC(=O)Cn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2c(C)cc(C)cc21 101345244 ATDACDBZCLJZGM-SXZOAGKDSA-N 439.559 1.592 0 40 IDAB CCOC(=O)c1ccsc1NC(=S)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 102616938 SZYRWGVYDJFURP-NUZBWSBOSA-N 433.511 1.545 0 40 IDAB CCCCn1c(N)c(N(CCC)C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(=O)[nH]c1=O 103019965 FHDBCSNTBQHLHI-GJZGRUSLSA-N 447.536 1.227 0 40 IDAB Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 104894943 DCRMYZYOOYFBKC-GOSISDBHSA-N 430.592 1.204 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222376744 WYGTZSFGFHOCNG-OAHLLOKOSA-N 429.498 1.303 0 40 IDAB Cc1nonc1CNC(=O)[C@@H]1CN(C(=O)Cc2c(C)[nH]c3ccc(Cl)cc23)CCN1C 257293504 QPTKKYMKJITRIK-IBGZPJMESA-N 444.923 1.823 0 40 IDAB CN([C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccc1)S(C)(=O)=O 260892665 CLCGZPKGQFEKDP-NRFANRHFSA-N 431.558 1.768 0 40 IDAB O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1cnc(O)c2ccccc12 530330838 WZNJVNXURZQPFI-INIZCTEOSA-N 434.500 1.966 0 40 IDAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 557419843 HFDFFNISVLZFTP-OAHLLOKOSA-N 426.498 1.503 0 40 IDAB O=C1CCc2cc(S(=O)(=O)NCc3nnc4n3CC[C@H](C(F)(F)F)C4)ccc2N1 575609060 XZVPCKHUIXRYCA-NSHDSACASA-N 429.424 1.766 0 40 IDAB COc1ccc(CNC(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cc1OC 575612355 LYCYVZLTZCLNJY-UHFFFAOYSA-N 438.481 1.843 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CN(c3ccc4nnc(C)n4n3)C2)c(C)c1 1565520872 WPRJWSWHWQIPQV-UHFFFAOYSA-N 429.506 1.209 0 40 IDAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2cn(C)c3ccccc23)CC1 1772595314 LULCMKGLFXQMRI-JOCHJYFZSA-N 435.572 1.979 0 40 IDAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5ccccc5OC)C[C@H]4C3)ncnc21 1888932243 LXSIQZDPRXKRIU-HUUCEWRRSA-N 428.518 1.612 0 40 IDAB NC(=O)c1ccsc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9988911 YKKAWOONQQJODF-NSHDSACASA-N 445.453 1.153 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1OC 10284090 FKJQVDIHIDYMBU-UHFFFAOYSA-N 447.513 1.200 0 40 IDAB CC(C)NC(=O)NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 10796404 FCCOKGMOAPXUFG-UHFFFAOYSA-N 430.438 1.455 0 40 IDAB COc1ccc(Cn2c(O)c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c(=O)[nH]c2=O)cc1 12658081 WOHKVQKOIYVPDL-QGZVFWFLSA-N 440.408 1.576 0 40 IDAB biogenic COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NC(C)(C)C)cc1OC 12715239 NJWOUYNZQLCZOV-JTQLQIEISA-N 449.533 1.791 0 40 IDAB CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)c3cccs3)CC2)NC(=O)N[C@@H]1C 13112312 YFDIDHFBDMXGSL-GFCCVEGCSA-N 435.502 1.662 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(C)c(F)c2)[C@H](C)O)cc1 13984678 UGQDLTBVYMXFRK-LIRRHRJNSA-N 438.477 1.652 0 40 IDAB O=C(Cc1ccc(F)cc1)NCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1 15081995 JMCLPYXLRNUYRE-UHFFFAOYSA-N 446.460 1.271 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nn2cnc3ccccc3c2=O)C1 17849098 LSMDFHLZNQGZOM-AWEZNQCLSA-N 431.474 1.172 0 40 IDAB Cc1ccc(-c2nnn(CC(=O)OCc3nnc4n(C)c(=O)c5ccccc5n34)n2)cc1 18866683 LQSSZVOWEPZNOK-UHFFFAOYSA-N 430.428 1.287 0 40 IDAB COc1ccc(S(=O)(=O)NCCCN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 19074934 YXAUKUTUBRQHBR-UHFFFAOYSA-N 428.532 1.693 0 40 IDAB O=c1[nH]c(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nc2ccccc12 19077313 XINFHKYMKDOCMV-UHFFFAOYSA-N 442.526 1.434 0 40 IDAB COCCNC(=O)CN1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19697607 PHSGWHOWADLQNR-KRWDZBQOSA-N 447.557 1.510 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 20030643 UMMTZRKRTUKOMD-UHFFFAOYSA-N 439.559 1.182 0 40 IDAB OC[C@@H]1O[C@H](CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@H](N2CCOCC2)[C@@H]1O 20464681 AZJJGOQOFMAZJT-NAVOZUGXSA-N 448.510 1.788 0 40 IDAB biogenic,in-vitro COCCN1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 20566223 OIKKBCRHDHEIBE-QPXQOZNCSA-N 439.899 1.950 0 40 IDAB O=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1)N1CCCC1 25747638 DKPCUFQHMSUOML-UHFFFAOYSA-N 436.559 1.377 0 40 IDAB CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(C)=O 30726613 ZEBMMHUDQRRILP-YNLINXDKSA-N 449.588 1.448 0 40 IDAB biogenic,in-vitro C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)N3CCNC3=O)c2)C1 32776149 YHPACABNPXGZGJ-ZNMIVQPWSA-N 437.518 1.450 0 40 IDAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1 32865290 FJFBHBYMOJYKDH-INIZCTEOSA-N 434.562 1.104 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H](C)O1 40153288 LOECRDYILAHGBB-GJZGRUSLSA-N 436.534 1.377 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)NCCn3nc(-n4ccnc4C)ccc3=O)CC2=O)cc1C 77197018 MMFGOCBQPJOZQN-GOSISDBHSA-N 434.500 1.524 0 40 IDAB CNC(=O)CN1CC2(CCN(Cc3ccco3)CC2)COc2ccccc2S1(=O)=O 96037190 AXCKQHYLUAENSS-UHFFFAOYSA-N 433.530 1.691 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)cc1OC 96105248 MOGVXTRQWPTFFJ-KRWDZBQOSA-N 437.504 1.650 0 40 IDAB CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4C(=C5C(=O)OC(C)(C)OC5=O)[C@H]5[C@@H]2[C@@H]2[C@@H]3C[C@H]4[C@H]52)C(=O)O1 100932774 NGQONMCYYIFSHF-VXWTXJKASA-N 426.421 1.640 0 40 IDAB O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4[C@@H](c5ccco5)c5sc(=O)[nH]c5S[C@H]43)[C@H]2C1=O 101175839 IOYLOAKNPVOCST-VSEHOXEVSA-N 446.506 1.977 0 40 IDAB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 103673421 XLFMQWRYWBHHCP-CWRNSKLLSA-N 430.892 1.863 0 40 IDAB CSc1nnc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 225304759 PUMROOMMDVLQMN-SECBINFHSA-N 430.533 1.824 0 40 IDAB COc1cccc(CN2CC3(C2)C(=O)N(Cc2ccccc2F)C(=O)[C@@H]2C[C@@H](O)CN23)c1 225390616 DBGWFTWHHHWNBQ-NQIIRXRSSA-N 439.487 1.393 0 40 IDAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N(C)[C@@H]1CCCC[C@H]1O 225738185 COUYWQPGZUZURK-RTBURBONSA-N 440.562 1.411 0 40 IDAB COc1ccc2c(c1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C[C@@]1(CCCN(C)CC1)O2 248026120 LSXQDBKTSFAPEQ-JTSKRJEESA-N 430.505 1.259 0 40 IDAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)CN2C(=O)COCC2=O)n1 257293437 QPLBRWIHDORIED-INIZCTEOSA-N 443.891 1.818 0 40 IDAB C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1)C(=O)N1CCOCC1 408592897 KRSUDUAVRSRFIW-CQSZACIVSA-N 433.486 1.212 0 40 IDAB CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)nn1 510619019 VTBLFPBPMXHXCZ-GFCCVEGCSA-N 426.399 1.274 0 40 IDAB Cc1cc(O)cc(C2CCN(C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)CC2)n1 585292228 YPLQRKIKWFXCBT-YADHBBJMSA-N 447.557 1.072 0 40 IDAB CCCn1c(N)c(N(C)C)c(=O)n(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1=O 2653751 VLTBDCMXXRHWLR-UHFFFAOYSA-N 429.399 1.606 0 40 IDAB COc1cc(/C=C/C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)O)cc(OC)c1OC 8665518 SAZDGPRWZSXGOK-KDZJKLFMSA-N 436.486 1.357 0 40 IDAB COc1ccc(C(=O)OCC(=O)N2CCC[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 9315749 VNKTWZCQSNSGDI-OAHLLOKOSA-N 440.518 1.131 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 9451331 IZZPAUWVVUXEQB-HOCLYGCPSA-N 439.468 1.598 0 40 IDAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CS2 9465589 FXYRPRXRAGJMJF-YJBOKZPZSA-N 427.523 1.113 0 40 IDAB CCCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 9882637 HDMBOJOQBWWULA-KRWDZBQOSA-N 444.575 1.137 0 40 IDAB CCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O 12660321 RZSSLCQNNAGTQY-LASHMREHSA-N 431.482 1.239 0 40 IDAB biogenic CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)NCC(C)(C)N2CCOCC2)c1 12780130 IXYDLYZYIDMMMK-UHFFFAOYSA-N 448.383 1.540 0 40 IDAB Cc1nnc2ccc(N3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)nn12 13847954 RTRZVTGRJRLCBU-UHFFFAOYSA-N 426.424 1.962 0 40 IDAB CN(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699640 PNWFMWYIWUHJBM-HXUWFJFHSA-N 441.576 1.168 0 40 IDAB CN(C)c1ncc(C(=O)N2CC[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)cn1 19702117 IJFQIXFSODFGKY-ZDUSSCGKSA-N 440.529 1.504 0 40 IDAB Cc1cc(C)n(-c2ccc(SCCCn3c(=O)c4c(ncn4C)n(C)c3=O)nn2)n1 21562430 VGRDCVWPQLZOEX-UHFFFAOYSA-N 426.506 1.209 0 40 IDAB CN1CCN(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1 22829654 ZOBAEMBEZPEUDR-UHFFFAOYSA-N 430.574 1.879 0 40 IDAB CCOC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cnn(C)c3C)c(=O)n12 36007356 PKAOIWFZDIPOSS-OLHJDLPCSA-N 438.509 1.291 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3COc4ccccc4O3)c2)CC1 36287590 FOMRSSLJYVOXBX-KRWDZBQOSA-N 431.514 1.193 0 40 IDAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC(O)CC3)cc2c1 57589790 PLVFOISKYFMBNU-WIYYLYMNSA-N 438.532 1.857 0 40 IDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCc1nnc2ccccn12 96224229 YNDJCAQUWIHBAF-INIZCTEOSA-N 440.891 1.942 0 40 IDAB CN(C)CCN1[C@H]2CCN(C(=O)c3ccc[nH]3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263971 YTOJHEWETLJBDE-ROUUACIJSA-N 432.546 1.633 0 40 IDAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2nc(-c3ccccc3)no2)Oc2ccccc21 218795427 JKPMQSNDHBSVFL-KRWDZBQOSA-N 428.470 1.970 0 40 IDAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1COc2ccccc2O1 224292736 QGKFSMGAKJDEOR-HXUWFJFHSA-N 432.498 1.806 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c(C)c1C 224334047 RHTXJKYYQOHAHS-UHFFFAOYSA-N 447.561 1.450 0 40 IDAB Cc1n[nH]c(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 226081911 GDEPTFFTIYUYON-CYBMUJFWSA-N 427.527 1.561 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC1)O2 248333010 JOTXISZZKPQTCG-MNFWLRKXSA-N 443.544 1.893 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408658603 LICGRMZSHANAME-JCDILYBXSA-N 427.457 1.546 0 40 IDAB Cc1noc(C)c1CN1C[C@@]2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O 585104490 OJMIEKYQFQDUJI-JOCHJYFZSA-N 447.557 1.946 0 40 IDAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(S(=O)(=O)c4cn(C)cn4)C3)C2)cc1 1258995043 HVOFMALXEBYVHV-IBGZPJMESA-N 433.490 1.367 0 40 IDAB O=C(N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2)C1(c2ccc(F)cc2)CC1 2332243299 ZETXUAYHRYIXGL-KRWDZBQOSA-N 437.468 1.288 0 40 IDAB COc1cccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1 922902 ZIWHQGHUTNCZHR-UHFFFAOYSA-N 439.559 1.456 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 2469199 NSMZQNRPHVRYOL-NSHDSACASA-N 426.882 1.064 0 40 IDAB O=S(=O)(c1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1)N1CCOCC1 3211799 HOOCPWROUKOPRU-FQEVSTJZSA-N 432.542 1.506 0 40 IDAB CNC(=O)CNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 9049969 AHOGSSZABAYITH-UHFFFAOYSA-N 441.509 1.906 0 40 IDAB Cc1nnc(SCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)n(N)c1=O 9284580 PFTBQZNBWCSETH-UHFFFAOYSA-N 427.486 1.831 0 40 IDAB COC(=O)CN1C(=O)[C@]2(C(C(=O)OC(C)C)=C(C)OC(N)=C2C(=O)OC)c2ccccc21 9427609 YGHNOPZKILMWSG-QFIPXVFZSA-N 444.440 1.043 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(Cl)ccc2C)n(C)c1=O 9519270 YWOVTCLJBMOANZ-LLVKDONJSA-N 431.880 1.819 0 40 IDAB COc1ccccc1OCC(=O)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1 9570233 PHELKFXNBRIBOK-UHFFFAOYSA-N 433.530 1.342 0 40 IDAB Nc1c(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(=O)[nH]c(=O)n1C1CC1 9580578 STCKXDVVHLYZJT-UHFFFAOYSA-N 435.469 1.558 0 40 IDAB Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 9613548 PGXICLINKFKFCL-CQSZACIVSA-N 437.543 1.432 0 40 IDAB COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3nnc(C)s3)n2C)cc1 9615109 OTLGELFLZVFAJL-UHFFFAOYSA-N 447.546 1.687 0 40 IDAB Cn1cc(C(=O)N2CCN(c3ccccc3)CC2)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21 9651330 XGUYKWDFPVWOSV-UHFFFAOYSA-N 429.480 1.980 0 40 IDAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@H]32)cc1 9675575 DPSISPCLGVGVBZ-MOPGFXCFSA-N 439.428 1.644 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 9730217 LXAWTENEIMCQAU-UHFFFAOYSA-N 442.541 1.677 0 40 IDAB CCOc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(=O)OC)c(=O)n(C)c4nc23)cc1 9829493 MQFJHKXTYMQJEU-UHFFFAOYSA-N 425.445 1.327 0 40 IDAB Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccc(S(N)(=O)=O)cc1 10233452 MIUWSMUHZKOPRK-UHFFFAOYSA-N 444.517 1.141 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3nccs3)CC2)cc1OC 10270039 RJZAXYCRXZMDBX-UHFFFAOYSA-N 440.547 1.178 0 40 IDAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCCc1cccs1 11904740 UHAYFZYKACWKAH-UHFFFAOYSA-N 428.557 1.952 0 40 IDAB CCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)NCc3cccnc3)cs2)CC1 12069802 DRNGHKDQWFSQQI-UHFFFAOYSA-N 432.506 1.703 0 40 IDAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)/C=C/C(=O)O)CC2)on1 12154523 VMBFPPLZKCNPBR-NSCUHMNNSA-N 427.461 1.623 0 40 IDAB COc1cccc(N2C[C@H](NC(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)CC2=O)c1 12180157 SUSRLXYJSCDXEF-OAHLLOKOSA-N 446.485 1.447 0 40 IDAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(CN2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 12818863 WSUHYJQBKAOVNX-YJBOKZPZSA-N 436.530 1.390 0 40 IDAB CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)N[C@H]3CCCc4ccccc43)c2c1 14351985 OGRUJGKLYATFHR-KRWDZBQOSA-N 429.502 1.304 0 40 IDAB COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16022182 SCWXIHJWDBJOSQ-FDGPYGQJSA-N 437.471 1.825 0 40 IDAB Cc1ccc(C2(CN3CCC(NS(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 19208400 JHGRWYSSIAUNJF-IBGZPJMESA-N 426.604 1.598 0 40 IDAB CCN1CCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)CNC(=O)c2ccccc2O3)CC1 19527777 IUZDXSPIPABEGC-HXOBKFHXSA-N 428.533 1.113 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)NCc3cccs3)CC1)CNC2=O 19562806 NDKIIEYUYGRACA-JOCHJYFZSA-N 443.525 1.947 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O 19699599 UHMXFXLYWBWGGE-IBGZPJMESA-N 440.544 1.789 0 40 IDAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCCN2CC(=O)N2CCNC2=O)n1 19767186 GDETUIYNXDHLDD-GOSISDBHSA-N 428.537 1.926 0 40 IDAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1 20051836 JKIQBDVFTIQIPF-KRWDZBQOSA-N 438.532 1.325 0 40 IDAB COc1ccc(OC)c(C(=O)COC(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)c1 22226382 UDBBYZXPWLBAHO-UHFFFAOYSA-N 427.457 1.840 0 40 IDAB COc1ccccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22229098 OWBIDPCFJIIDOT-UHFFFAOYSA-N 431.514 1.777 0 40 IDAB Cn1ncc2c(N3CCN(C(=O)CSCC(=O)Nc4ccc(F)cc4)CC3)ncnc21 23461781 DZEFAEGUAJVPMP-UHFFFAOYSA-N 443.508 1.523 0 40 IDAB COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 32903752 AIHLUCKUPCCLER-FQEVSTJZSA-N 447.557 1.242 0 40 IDAB O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)NCc1ccc2c(c1)OCO2 35380333 DLRVXJJAOOGHSS-NRFANRHFSA-N 439.468 1.016 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@@H](C)O1 40153287 LOECRDYILAHGBB-GASCZTMLSA-N 436.534 1.377 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@H](O)[C@H]4CCCC[C@@H]43)CC2)Oc2ccccc21 72326145 FITYWQWDWQCQAH-ZEMPLXOASA-N 441.528 1.670 0 40 IDAB CC(C)S(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)C1 100234649 VMRGGVQGAQLKNB-HNNXBMFYSA-N 447.561 1.647 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2nc(O)c3c(n2)CN(S(C)(=O)=O)CC3)CC1 100238748 HPCLUUAFKRMJFX-JKIFEVAISA-N 438.550 1.369 0 40 IDAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(OC)cc3)c(=O)n12 100639596 VHLUQZNUIQOUOE-LLXCKISVSA-N 436.489 1.868 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1ccccc1F 219244815 HSLKDIJHHYIQDZ-UHFFFAOYSA-N 433.465 1.805 0 40 IDAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222991412 HMFRZHCOHCEFJO-GOSISDBHSA-N 443.525 1.693 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)s1 225258470 FTHNJVPKIHTNBW-UHFFFAOYSA-N 444.560 1.825 0 40 IDAB CN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCNC(=O)c1cccnc1 257308851 TYKGAGDEWBDKSQ-DEOSSOPVSA-N 448.527 1.635 0 40 IDAB CCOC(=O)COc1ccccc1/C=C1\SC(=O)N(CC(=O)NCCCOC)C1=O 409199405 CMANCNUKIMRDPX-WJDWOHSUSA-N 436.486 1.818 0 40 IDAB CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CCO[C@@](C)(c2ccccc2)C1 531604131 MZXFEGIAOAYMSX-JOCHJYFZSA-N 447.557 1.757 0 40 IDAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 1889096235 KMCLVYHEHMMJPW-FQEVSTJZSA-N 445.479 1.496 0 40 IDAB Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c(=O)n(C)c1=O 3360819 NLTYVMITVDBBOT-UHFFFAOYSA-N 430.465 1.374 0 40 IDAB Cc1cc(S(=O)(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)cc(S(N)(=O)=O)c1C 8721540 KCRLDMGFLYPZIL-UHFFFAOYSA-N 432.545 1.048 0 40 IDAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCCCC2)cc1N(C)S(C)(=O)=O 8754094 GUTMKGHMFXAWJI-UHFFFAOYSA-N 431.580 1.380 0 40 IDAB CCOC(=O)C(C(=O)OCC)=c1s/c(=C/c2ccc(O)cc2)c(=O)n1-c1ccccc1 8756033 HDGPXDLXSRTLMS-NBVRZTHBSA-N 439.489 1.710 0 40 IDAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CCCN(C)C 9060249 AMFUOLQAANSCEO-UHFFFAOYSA-N 426.496 1.905 0 40 IDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9450065 DFLGPBIALHWBDF-UHFFFAOYSA-N 430.465 1.338 0 40 IDAB CCn1c(Cc2ccccc2)nnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 9497007 YHSFCTNIFLGIHI-UHFFFAOYSA-N 426.502 1.631 0 40 IDAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 9727626 YCBLFBNMBAXGAZ-KXBFYZLASA-N 439.921 1.285 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)C1 12085712 ZWQKHVXZCWVNRM-QMHKHESXSA-N 443.500 1.319 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCOCC4)nc3)CC2=O)c(OC)c1 12224028 XFUGMJQFFIHMSS-KRWDZBQOSA-N 440.500 1.605 0 40 IDAB C[C@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@@H](C)O1 12529903 BJTOWIKGLXDSPI-TXEJJXNPSA-N 435.887 1.873 0 40 IDAB NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 12635264 JLLSIAOKDFTMDY-UHFFFAOYSA-N 438.556 1.455 0 40 IDAB CC1CCN(Cc2csc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)n2)CC1 12765554 MKZBTJHTWJPXEL-UHFFFAOYSA-N 428.518 1.573 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)NC2CCCCC2)cc1 12910742 ZQWXGUKJJUYMLU-CQSZACIVSA-N 439.534 1.646 0 40 IDAB Cc1nc2ccccc2n(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1=O 12985815 UTWXGTVNPKKBDC-UHFFFAOYSA-N 440.525 1.379 0 40 IDAB COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1S(=O)(=O)N1CCCC1 13100561 BCOZCNSYISNHMT-SFHVURJKSA-N 443.525 1.532 0 40 IDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](Cc1ccccc1)n1cnnn1 13164255 RBYOKCPUBXHGLD-IBGZPJMESA-N 442.501 1.117 0 40 IDAB COc1ccc(CCNC(=O)COCC(=O)N2CCN(c3ccccn3)CC2)cc1OC 18271676 SEUUTJSQFHMAQN-UHFFFAOYSA-N 442.516 1.123 0 40 IDAB Cc1cc(C)n(-c2ccc(NCCNS(=O)(=O)c3ccc4c(c3)OCCO4)nn2)n1 19924150 BRSOMXDUVQTKHL-UHFFFAOYSA-N 430.490 1.441 0 40 IDAB COc1cc(CC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc(OC)c1OC 22201039 UKQPJQQIBWEWSP-UHFFFAOYSA-N 443.548 1.917 0 40 IDAB CCN1C(=O)/C(=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)c2ccccc21 27021069 YAWNVRZKOLMYGB-QCPHZMBFSA-N 432.461 1.948 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 29182266 ZEKOVHDQZWGQLN-HOTGVXAUSA-N 434.562 1.587 0 40 IDAB CCS(=O)(=O)Nc1cccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)c1 29653954 LSGFMPNESJOHLD-UHFFFAOYSA-N 425.532 1.465 0 40 IDAB COc1cccc(-c2c3c(=O)n(CCCN4CCN(C)CC4)ccc3nc3ncnn23)c1 40398275 QOSCCKKASCACIN-UHFFFAOYSA-N 433.516 1.752 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@@H]1CN(Cc2ccccc2)CCO1 58055695 JIODJSMTHTYTTH-LEWJYISDSA-N 432.590 1.850 0 40 IDAB COc1ccc(NC(=O)NC(=O)COC(=O)c2cnc3c(c2)c(C)nn3CCO)cc1 69534980 BEBSGOZLKFWAOU-UHFFFAOYSA-N 427.417 1.246 0 40 IDAB CCOC(=O)N1CCc2nn(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)cc2C1 96125539 UUKGZLOXUQMBHP-UHFFFAOYSA-N 444.488 1.134 0 40 IDAB CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)NCCc4cccc(F)c4)cn23)C1 96267678 SSFMHVNHXFJLLH-HNNXBMFYSA-N 431.493 1.590 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222793061 PZFMNINACUOQMM-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)s1 222985653 WVNWEAJNMPXCBN-UHFFFAOYSA-N 447.564 1.718 0 40 IDAB COc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1NC(C)=O 223787368 HLVLTBOQLHNZIV-UHFFFAOYSA-N 427.504 1.850 0 40 IDAB Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)cc1 229929196 JESAKGFQNKXLOS-KUMVCOKESA-N 434.489 1.835 0 40 IDAB COCCC(=O)N1CC[C@@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306135848 PCPILOBIQOJNBU-OAQYLSRUSA-N 431.514 1.673 0 40 IDAB CCn1ccnc1CN1CCCN([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 592187281 ARMVZPQSQDRIRM-LJQANCHMSA-N 442.564 1.377 0 40 IDAB Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 3317743 AVROLIRLLLCJFL-UHFFFAOYSA-N 444.509 1.762 0 40 IDAB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 3623286 XJAYMNLXKCRKRP-KRWDZBQOSA-N 428.342 1.471 0 40 IDAB COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(CCN2CCCCC2)c(=O)n1C 9156903 ACBBKTKEBMXIBK-UHFFFAOYSA-N 438.532 1.851 0 40 IDAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9493653 IZXTZGMMVOCUHW-AWEZNQCLSA-N 433.486 1.875 0 40 IDAB Cc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1C(=O)N1CCC(C(N)=O)CC1 9604985 WEGIVPZFAFZEMG-UHFFFAOYSA-N 447.532 1.993 0 40 IDAB Cc1ccccc1-n1cnnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 9635581 JKANLOZPCIGHTE-UHFFFAOYSA-N 431.543 1.674 0 40 IDAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCc2c[nH]c3ccccc23)c1 9672703 PJBXSGHQXROPOR-UHFFFAOYSA-N 428.514 1.624 0 40 IDAB Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C)c1 9683721 WCHKXVZRKCWPFH-UHFFFAOYSA-N 446.525 1.987 0 40 IDAB CCCn1c(=O)n(CC(=O)Nc2cccc(OC)c2)c(=O)c2c1nc(C)n2CCOC 10883430 SMVFUUNIOVXMAS-UHFFFAOYSA-N 429.477 1.372 0 40 IDAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 11583934 UTDFQUARVNHCHZ-IBGZPJMESA-N 437.424 1.774 0 40 IDAB O=S(=O)(c1cccc(Br)c1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009277 JANLXUFIMBMCSE-UHFFFAOYSA-N 449.334 1.936 0 40 IDAB O=C(CSc1ncccc1C(=O)NCCN1CCOCC1)Nc1ccc2c(c1)OCO2 14200090 VZOAIAJKUBEKER-UHFFFAOYSA-N 444.513 1.603 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(-n3cnnn3)c2)c(=O)[nH]c1=O 14669983 FEMBYVMQRYDYOO-UHFFFAOYSA-N 426.481 1.197 0 40 IDAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3n[nH]c(=O)c4ccccc34)cc2)C[C@@H](C)O1 15916127 MZZSFLRFQKNIMX-ZIAGYGMSSA-N 442.497 1.973 0 40 IDAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc4c(c3)OCO4)=C2)cc1OC 15952177 SLOFQYWRJHWGPU-UHFFFAOYSA-N 445.453 1.934 0 40 IDAB Cc1sc2ncn(CC3(O)CCN(C(=O)[C@@H](C)N4CCOCC4)CC3)c(=O)c2c1C 19561300 ONMSVKKLTLHHJN-OAHLLOKOSA-N 434.562 1.149 0 40 IDAB CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(S(=O)(=O)N2CCOCC2)C1 19739058 GHCOSTIHPMGSDI-HXUWFJFHSA-N 440.566 1.280 0 40 IDAB Cc1cc(NC(=O)Cn2cc(C(=O)N3CCC[C@H](CN4CCCC4)C3)ccc2=O)no1 19751011 IDLLHQWVLQAQTL-QGZVFWFLSA-N 427.505 1.731 0 40 IDAB CCOC(=O)N1CCN([C@@H](c2ccncc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697904 VSLNETHEUOWTRT-FQEVSTJZSA-N 430.505 1.767 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3ccc(C)cc3)CC2)cc1 22732995 XNZWWSIHPRYJFJ-UHFFFAOYSA-N 447.557 1.505 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134456 VKJSPEHANIWBFX-QGZVFWFLSA-N 449.490 1.499 0 40 IDAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccc2c(c1)CCC(=O)N2 48313877 ZAVSYWHOFLFGFR-CYBMUJFWSA-N 433.486 1.676 0 40 IDAB COC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 67287726 QAZOFRQCFGJOJS-IBGZPJMESA-N 447.488 1.324 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCN(c4ccccn4)CC3)CC2)Oc2ccccc21 72326106 DWFQXOJSNUXSTF-XMMPIXPASA-N 449.511 1.261 0 40 IDAB O=C(C[C@@H](CN1CCN(Cc2ccccn2)CC1)C(=O)O)Nc1ccc2c(c1)OCO2 72403290 VTXNKDSRSZMJDF-INIZCTEOSA-N 426.473 1.658 0 40 IDAB O=C(c1cccs1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 96056178 GOKIWWGNUVZKDD-JTSKRJEESA-N 441.557 1.756 0 40 IDAB COc1cc(OC)cc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)c1 96116205 LDKLFQKNDODLQN-UHFFFAOYSA-N 432.381 1.186 0 40 IDAB biogenic CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(c4cc5nc(C)cc(O)n5n4)CC2)[C@@H]3C1=O 100137459 NIENPJNOIYYWJU-YPHICONVSA-N 437.500 1.251 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H]3C=CS(=O)(=O)C3)CC2)cc1 101496866 UJZNHPROQLJDSV-BBWFWOEESA-N 426.560 1.507 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222626667 OBDQKLUUCJUIKO-AWEZNQCLSA-N 447.488 1.524 0 40 IDAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4cnc5ccccc5c4)C3)C2=O)o1 225440772 YSTWYBYPNJWICL-KNQAVFIVSA-N 446.507 1.695 0 40 IDAB biogenic,in-vitro COC(=O)CSc1nnc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)s1 225640657 UWIXTWNKORVCPX-UHFFFAOYSA-N 444.560 1.843 0 40 IDAB CCN(CC)CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2SC1(C)C 255961972 AFKRZUUZFWTBCC-HBFSDRIKSA-N 433.574 1.661 0 40 IDAB O=C1CCCC[C@H]2[C@@H](C[C@@H](Cc3ccccc3)N2C(=O)CCN2C(=O)CCNC2=O)N1 257201946 AJSSSTWVNAZFPY-QRVBRYPASA-N 426.517 1.589 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)CC1 408619006 HMOVCFTVLYHHQE-LBPRGKRZSA-N 432.926 1.817 0 40 IDAB CCN1C[C@@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)c(C)c4)nc(C(=O)NC)c32)C1=O 504640632 JVMYRXZOYAYKOL-GFCCVEGCSA-N 441.463 1.796 0 40 IDAB COc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1Cl 575616008 NFVGNAOCLZJFEY-UHFFFAOYSA-N 425.960 1.145 0 40 IDAB C[C@]1(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)OCCc2sccc21 1629053128 DTGAWVGBURJAGP-YBOAYWMSSA-N 432.517 1.996 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(c5cc(C(F)(F)F)ncn5)C[C@@H]4C3)ncnc21 1888913588 RNNFSOJRQNNJIL-BETUJISGSA-N 434.426 1.854 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(C)cc2)cc1 785662 ZHHVAGHXRGSZMM-UHFFFAOYSA-N 445.541 1.923 0 40 IDAB NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N12 2968735 SEOVILNFPNYYNM-QGZVFWFLSA-N 435.509 1.613 0 40 IDAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3246779 VHRQJBZXUDENRJ-MRXNPFEDSA-N 444.509 1.842 0 40 IDAB O=C(O)CN1C(=O)S/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 9264501 JBMMYZJFAYTSEH-CXUHLZMHSA-N 429.454 1.621 0 40 IDAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCc1ccco1 9340987 ZONAZYTYUAZSEF-AWEZNQCLSA-N 437.493 1.641 0 40 IDAB CCOC(=O)N1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1 9416472 LRGYEQUHZBZNED-UHFFFAOYSA-N 428.424 1.022 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2c(C)noc2C)c(=O)[nH]c1=O 9591237 VNYNSZRTNULZNJ-UHFFFAOYSA-N 427.461 1.146 0 40 IDAB COc1ccc(OCCNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 11997441 BSHAYAOFKRUGCS-UHFFFAOYSA-N 440.499 1.119 0 40 IDAB O=C(NCCc1ccccc1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 12140237 RGMJFMOULNMUIN-LJQANCHMSA-N 449.504 1.038 0 40 IDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(Cc3ccc4c(c3)CCO4)CC1)C2=O 14083876 XZSFQKFDUQHSMP-XDHUDOTRSA-N 440.544 1.766 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)cc1 14244136 BVJJGHQFDQVVTH-UHFFFAOYSA-N 434.543 1.194 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cc1c(C)nc2nc(N)nn2c1C 14245221 QJEUBCGRMPLSGU-UHFFFAOYSA-N 446.309 1.692 0 40 IDAB Cc1cc(-c2cnc(C)nc2CN(C)C(=O)CCc2ccc(S(N)(=O)=O)cc2)on1 19123457 MPVPVYLGDACZIM-UHFFFAOYSA-N 429.502 1.987 0 40 IDAB Cc1ccc(NC(=O)Cn2nc([C@@H]3CCCN(S(C)(=O)=O)C3)n(C)c2=O)cc1Cl 23141220 YBAQUEKZJHYKHM-CYBMUJFWSA-N 441.941 1.321 0 40 IDAB COc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1OC 36365272 IWTQJTOYCAYBMD-UHFFFAOYSA-N 433.486 1.499 0 40 IDAB CCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3cc(C)no3)CC2)cc1OCC 40013327 CYWSLLNLIQRABV-UHFFFAOYSA-N 430.505 1.855 0 40 IDAB COCCn1c(=O)c2sccc2n(CC(=O)NCc2cccc(OC)c2OC)c1=O 57485967 FQLYEXWGRRZTDI-UHFFFAOYSA-N 433.486 1.205 0 40 IDAB Nc1nc(N2CC(=O)N(CCc3ccccc3)C(=O)C2)ncc1C(=O)NCc1ccccc1 71772180 GOBWTGOLVWDHAD-UHFFFAOYSA-N 444.495 1.407 0 40 IDAB C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 103506638 XKLVJEDXEYQMDS-VXBCUWKVSA-N 432.480 1.434 0 40 IDAB Cc1c(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 225352937 KCSVGQDWRHTNNG-UHFFFAOYSA-N 428.514 1.885 0 40 IDAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@]2(O)CCCc3cc(OC)ccc32)c1 225713247 ZVPKKQLRYPOASR-OAQYLSRUSA-N 435.498 1.993 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)C[C@H](NS(C)(=O)=O)c2ccc(OC)cc2)c2ccccc2O1 225953492 CGMXMGQMAFGZJB-LPHOPBHVSA-N 448.497 1.643 0 40 IDAB COC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 245229964 IZMMNXRTNWXGMV-ISJRUSPKSA-N 440.427 1.979 0 40 IDAB CO[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C[C@]12CCCO2 257332387 XXCKFZLXLWVFKD-TZIWHRDSSA-N 437.562 1.680 0 40 IDAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1 408661411 VSTVWUXKOJSWRQ-MRXNPFEDSA-N 425.441 1.761 0 40 IDAB CCOC(CNC(=O)Cn1ncc2ccccc21)CNC(=O)Cn1ncc2ccccc21 541133179 SEWGNYTWNKXCFE-UHFFFAOYSA-N 434.500 1.724 0 40 IDAB O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)N1CCOCC1)C2 604381698 LFNGWPXNEADXRL-GOSISDBHSA-N 434.924 1.003 0 40 IDAB biogenic,in-vitro CC(=O)N1CCCN(c2ncccn2)CCN(C(=O)Cn2cncn2)Cc2ccccc21 643554099 ANOKLKDPURUPSB-UHFFFAOYSA-N 434.504 1.360 0 40 IDAB COCCNC(=O)[C@H]1C[C@@H](NCc2cccnc2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O 2332241890 CBDOBGIZHSUBPD-YVNJGZBMSA-N 435.528 1.857 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NC2CCCC2)ccc1F 3027814 NDJBPOPBRCOGPM-QGZVFWFLSA-N 427.498 1.046 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)n1 6547401 SUMGHDHPRZHIPK-UHFFFAOYSA-N 448.486 1.684 0 40 IDAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 9646865 WDFWARVILOCNKT-HDICACEKSA-N 433.530 1.995 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC(C(=O)Nc3ccccc3)CC1)C2=O 9818987 QWVHJKDALOUQIB-UHFFFAOYSA-N 441.532 1.869 0 40 IDAB CN(C)[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccccc1 11997554 QRMKIUYYCTWFJV-GOSISDBHSA-N 437.543 1.334 0 40 IDAB Cc1cc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)no1 12538804 QYAWZXHUCMFYRN-UHFFFAOYSA-N 449.533 1.655 0 40 IDAB O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(N2CCOCC2)cc1 12634794 XCDVXHZMVBBPNJ-RTBURBONSA-N 443.500 1.570 0 40 IDAB COC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 12950324 ZDAGFGFLWFXCMT-INIZCTEOSA-N 441.303 1.758 0 40 IDAB O=C(NC[C@H](O)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 13628676 RMVAALSXGRNPDM-WBVHZDCISA-N 446.554 1.942 0 40 IDAB C[C@@H]1CCc2c(sc3c2-c2ncnn2-c2nnc(SCC(=O)N4CCOCC4)n2-3)C1 13805756 GVNXTXGTZUZAQP-LLVKDONJSA-N 443.558 1.966 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)NC(=O)CO2 15108387 HATGCABACCLREJ-UHFFFAOYSA-N 447.469 1.056 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 22378168 UBKIJQVJWLKNIG-UHFFFAOYSA-N 439.559 1.062 0 40 IDAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c1 22796432 AMLFMDNHJAKIQT-NRFANRHFSA-N 441.507 1.828 0 40 IDAB Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@H](O)COc2ccc3ccccc3c2)n(C)c1=O 23115291 OJEFOWWSWWHIGB-SFHVURJKSA-N 449.511 1.627 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)cc1 30586437 MIHIHOOPTWIEQW-LSDHHAIUSA-N 435.468 1.790 0 40 IDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)C1 32755071 YCWMXDIQBLHMGS-XLAORIBOSA-N 436.644 1.049 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N[C@@H]1CCCCNC1=O 32913421 YCKBAVJFUVOCJB-OAHLLOKOSA-N 425.327 1.413 0 40 IDAB COc1ccccc1NC(=O)CNC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 33889764 BODVAWUTDKJLSN-VDCDIQELSA-N 436.461 1.146 0 40 IDAB O=C(NC1CCCC1)[C@H]1N(Cc2cccs2)C(=O)[C@H]2[C@@H](C(=O)NC3CC3)[C@H]3C=C[C@]21O3 33940046 NJLJHIDQRZZBGL-INSLWABXSA-N 441.553 1.736 0 40 IDAB COC(=O)CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 48374209 HKXLYSVRNJXSPG-UHFFFAOYSA-N 428.445 1.562 0 40 IDAB CC(C)CCn1c(N2CCN(Cc3ccccc3F)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952503 CAFRRCUDAQESSU-UHFFFAOYSA-N 428.512 1.931 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)C3CCC3)n2Cc2ccccc2Cl)n(C)c1=O 57681224 PVGCGBCDGUFYHO-UHFFFAOYSA-N 444.923 1.464 0 40 IDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cccc(-n3cc(Br)cn3)c2)C1 58313590 XRJZBPXFVYAWTO-CQSZACIVSA-N 427.324 1.789 0 40 IDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2C(F)(F)F)C1 65584894 ZBMSLDFFODDXOC-NSHDSACASA-N 432.428 1.832 0 40 IDAB COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70902573 FBMCMADKAOIDMX-UHFFFAOYSA-N 446.529 1.554 0 40 IDAB C[C@H]1CCC[C@H](C)N1C(=O)CN1C[C@H](C(=O)N(C)C)[C@]2(COc3ccccc3C(=O)N2)C1 72334322 JIKDLPIBKYJSMB-MDWCYVBFSA-N 442.560 1.357 0 40 IDAB COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3-c3ccc(=O)[nH]n3)c2=O)cc1 90613984 SEOPXRGZBOSJRI-UHFFFAOYSA-N 431.408 1.537 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C[C@@H](C)O1 95965895 OSERSORAUJESFA-NXHRZFHOSA-N 426.535 1.477 0 40 IDAB COc1ccc(S(=O)(=O)C2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)cc1 96099627 VEHVQSAZNCQHSV-UHFFFAOYSA-N 441.509 1.870 0 40 IDAB CC(C)CN1Cc2c(C(=O)N3CC[C@@H](N(C)C)C3)ncn2-c2ccccc2S1(=O)=O 96147380 ZFFFVRDBTFJBHE-MRXNPFEDSA-N 431.562 1.809 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)s1 225632079 VRMLHBYSEIIIFW-VIFPVBQESA-N 448.523 1.736 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)Cc1ccccc1 225772864 DFKSHDSWVJZDQX-SFHVURJKSA-N 445.541 1.996 0 40 IDAB COC(=O)c1cc(NC(=O)C(C)(C)NS(=O)(=O)c2ccc(OC)cc2)cnc1OC 225958047 QMEOBWQXXJJFOK-UHFFFAOYSA-N 437.474 1.581 0 40 IDAB COc1cc([C@H](CC(=O)N[C@H]2CCS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O 524731437 XYBBCSLUKDMCAQ-KBPBESRZSA-N 437.470 1.193 0 40 IDAB biogenic O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 552438271 QHECXPJQKWESRK-QUCCMNQESA-N 428.533 1.553 0 40 IDAB O=c1cc2c(nn1CC1CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC1)CCC2 585502263 QSCOHQHOXTWZCX-UHFFFAOYSA-N 431.514 1.604 0 40 IDAB O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC(CCO)(CCO)CC1 1635625123 NICRAILAWQAPKT-UHFFFAOYSA-N 439.559 1.931 0 40 IDAB COc1ccc(CNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)cc1 932578 WCGBRWFHVSECQW-UHFFFAOYSA-N 431.518 1.432 0 40 IDAB O=S(=O)(Nc1nc2ccccc2nc1N1CCN(CCO)CC1)c1cc(F)ccc1F 3440584 FNQNQOGJRWQDDF-UHFFFAOYSA-N 449.483 1.823 0 40 IDAB COCCn1c(=O)c2c(nc3n(-c4cc(OC)ccc4OC)c(C)c(C)n23)n(C)c1=O 8708342 CLIKOCDBGAWBFE-UHFFFAOYSA-N 427.461 1.419 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 8816113 MYKLRRWPGUZPPS-OAHLLOKOSA-N 447.488 1.838 0 40 IDAB Cn1ccnc1[C@H](NC(=O)CNC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 12507631 ZOBFRTAFUXDKMZ-GOSISDBHSA-N 445.932 1.887 0 40 IDAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1=O 12613675 PGIXXDNMKDFCFK-QGZVFWFLSA-N 428.898 1.490 0 40 IDAB Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NC[C@H]2CCCO2)c1 12715892 XFTHKQFQGUFWMT-TZMCWYRMSA-N 431.518 1.463 0 40 IDAB O=C1NCCN(C(=O)Cc2cccs2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164599 ZJZAAISWLDEOIL-IBGZPJMESA-N 426.542 1.357 0 40 IDAB O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NCc3ccco3)CN21)Nc1ccccc1 15708107 LNYPJEITHBXAMM-SCTDSRPQSA-N 441.557 1.604 0 40 IDAB biogenic,in-vitro CN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)[nH]c(=O)n(I)c1=O 16956711 YWQHYPHUSFBFLL-CYBMUJFWSA-N 438.225 1.499 0 40 IDAB biogenic CC(C)c1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 19451683 PBENXSFTLIVZQR-KRWDZBQOSA-N 445.545 1.674 0 40 IDAB Cc1c([C@@H](C)NC(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)cnn1C 19751637 QHTJMGGRTNGOOX-CQSZACIVSA-N 425.464 1.837 0 40 IDAB C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20760326 XKLVJEDXEYQMDS-BHPHKFCNSA-N 432.480 1.434 0 40 IDAB CN(C)CCN[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 22927364 TUGSYRFFXODNRR-OAQYLSRUSA-N 446.573 1.539 0 40 IDAB Cc1ccc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1C 23593486 AKULFDVFIHIFKS-UHFFFAOYSA-N 432.546 1.263 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 32853995 BEEBWEZZBUOBOW-NYYWCZLTSA-N 449.460 1.127 0 40 IDAB COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NCc4ccccc4)CN32)cc1 35442268 FLHFJTFDNLYYJG-XJUOHMSHSA-N 436.556 1.823 0 40 IDAB biogenic,in-vitro NC(=O)c1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCSC[C@H]43)C2=O)cc1 36056358 DDMCZWSOIGUACF-JTSKRJEESA-N 436.493 1.533 0 40 IDAB O=C(OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1n[nH]c(=O)c2ccccc12 57840783 DPVCLZDCVJORKE-OAHLLOKOSA-N 447.513 1.428 0 40 IDAB COc1cc(-c2c3c(=O)[nH]n(C(C)C)c3nc3[nH]c(=O)n(C)c23)c(OC)c2c1OCO2 85412523 YOLDNJNTBARJSC-UHFFFAOYSA-N 427.417 1.898 0 40 IDAB O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 95455453 CQLGPLOQDLQQKO-UHFFFAOYSA-N 431.440 1.610 0 40 IDAB CS(=O)(=O)N1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)[C@]2(CCNC2=O)C1 96262546 JZEOKQWTKICTOX-LJQANCHMSA-N 425.938 1.344 0 40 IDAB C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222895428 NYCPRSOAIPHBCU-HNNXBMFYSA-N 436.509 1.146 0 40 IDAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)COc3cc(C)c(Cl)c(C)c3)[C@H]2O)CC1 257239264 HOPSLWJDBALZTO-WOIUINJBSA-N 437.968 1.850 0 40 IDAB O=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)NCCOc1ccccc1 408567517 OEAOALDHEQYSGI-UHFFFAOYSA-N 435.480 1.878 0 40 IDAB COc1ccc(CN2C(=O)N[C@H](CCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 504485527 QEQVSDCKIMZPHV-UYAOXDASSA-N 425.485 1.616 0 40 IDAB biogenic CCN(CC)Cc1ccccc1CNC[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O 585291504 RCGIWHWMNCSXRP-PKTZIBPZSA-N 447.601 1.415 0 40 IDAB CCN1CCN(C(=O)c2ccc(NC(=O)c3cnc4c(c3)c(O)nc(=O)n4C)cc2)CC1 620913479 KDQQEYMZMYMESC-UHFFFAOYSA-N 436.472 1.064 0 40 IDAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363815 AEKSKORHTCIBQP-CQSZACIVSA-N 430.465 1.841 0 40 IDAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c2C1 3359758 VQBFOWLZIZZBNN-LBPRGKRZSA-N 436.468 1.379 0 40 IDAB Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)NC[C@H]1CCCO1 3446559 HJXBDACEGUNSHR-CYBMUJFWSA-N 442.339 1.721 0 40 IDAB COCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)c(OC)c2)n(C)c1=O 8724519 RCPNZVOGYJXEOE-UHFFFAOYSA-N 443.504 1.013 0 40 IDAB COc1ccc(CCNC(=O)Cn2cnc3c(nnn3Cc3ccccc3)c2=O)cc1OC 9278085 LYQXOOIJCHYFAM-UHFFFAOYSA-N 448.483 1.412 0 40 IDAB CCOC(=O)CCn1c(=O)c2c(nc3n(Cc4ccc(OC)cc4)c(C)cn23)n(C)c1=O 9713004 PURWGUZOZKVKTL-UHFFFAOYSA-N 439.472 1.468 0 40 IDAB COc1ccccc1C(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 9835315 MVLLEHKAUHEPED-UHFFFAOYSA-N 449.504 1.487 0 40 IDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375429 NJPNUCMJQFVLFA-OALUTQOASA-N 445.541 1.297 0 40 IDAB C[C@@]1(NC(=O)CCCNC(=O)N2CCc3c([nH]c4ccccc34)C2)CCS(=O)(=O)C1 12391239 YHPNEVINJSSDSZ-OAQYLSRUSA-N 432.546 1.709 0 40 IDAB CC(C)c1ccc(-n2nnnc2SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 12604022 AUAKEFNWYMRCOJ-UHFFFAOYSA-N 440.533 1.715 0 40 IDAB Nc1nc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)n[nH]1 12925562 OEAOEUBVSQPPPJ-UHFFFAOYSA-N 430.943 1.946 0 40 IDAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1CCN(S(=O)(=O)CC)CC1 12990055 AYPUBWNGXGHIIT-UHFFFAOYSA-N 440.953 1.987 0 40 IDAB CCCN(C(=O)CSc1nnc(-c2ccccc2OC)n1N)[C@@H]1CCS(=O)(=O)C1 13069409 HPXSDBNFXPMHLY-CYBMUJFWSA-N 439.563 1.185 0 40 IDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 15899642 JKJSAHRVLZNIEH-GJZGRUSLSA-N 442.509 1.793 0 40 IDAB CC(=O)N1CCc2cc(NC(=O)COC(=O)Cn3nnc(-c4ccc(C)cc4)n3)ccc21 18866728 KFNZDRNORXVDIE-UHFFFAOYSA-N 434.456 1.739 0 40 IDAB Cc1ccn(CCC(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1 19238040 QNDUMJKTIVFDNV-QGZVFWFLSA-N 438.532 1.366 0 40 IDAB O=C(CC[C@H]1CCCO1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339553 HPVXQWRBIQVMKH-RTBURBONSA-N 437.544 1.998 0 40 IDAB CC(C)NC(=O)[C@H]1CN(C(=O)C2CCCCC2)C[C@@H]1c1ccnc(N2CCOCC2)n1 19450145 HXWPJHNBRKYKBV-OALUTQOASA-N 429.565 1.960 0 40 IDAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)CN2CCCC2)CC1 19573758 VTHWQUNKTDTHCC-UHFFFAOYSA-N 435.594 1.672 0 40 IDAB COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 20020604 RGZWAEYYADSIEE-MRXNPFEDSA-N 434.514 1.972 0 40 IDAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c32)cc1 22610394 MVQDKMSEDZSPSD-HNNXBMFYSA-N 438.488 1.099 0 40 IDAB COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)N3CCOCC3)n2C)cc1 32579272 CAPVFZQQGKFNBY-CQSZACIVSA-N 433.534 1.195 0 40 IDAB O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 36108732 JZKNWZHEKGCZRR-IBGZPJMESA-N 439.493 1.054 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(OCC)c(C)c2)CC1 39986261 UYBHRPIALHRKND-UHFFFAOYSA-N 441.550 1.705 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCC[C@H](c2nnc3ccccn23)C1 40050307 PVXWSHZOLDJZKN-XDHUDOTRSA-N 444.495 1.829 0 40 IDAB COc1cc2c(cc1OC)CN(CCNC(=O)CCn1nnc3ccccc3c1=O)CC2 40150329 QCHOOWXTKQPLIB-UHFFFAOYSA-N 437.500 1.373 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 44038696 YXBGFKITEIMPDR-UHFFFAOYSA-N 438.527 1.861 0 40 IDAB Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)Cn3cncn3)ccc2C)c1 48326087 HHVTYJJWZHTDOS-UHFFFAOYSA-N 442.501 1.451 0 40 IDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnc(-n2ccnc2C)c1 57996069 MTRKYYQFTDOGKF-FQEVSTJZSA-N 439.541 1.969 0 40 IDAB COc1cc(Cl)c(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1Cl 72275471 HHFBTFGEXIHRBT-UHFFFAOYSA-N 446.312 1.837 0 40 IDAB CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccncc4)CC3)n2)CC1 72335882 RUKNRRILHXFEMU-UHFFFAOYSA-N 444.561 1.047 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC[C@@]2(C(=O)N(C)C)CN(C)C[C@@H]32)cc1 96143848 ANVSFKCYBCCXLU-SIKLNZKXSA-N 435.590 1.896 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1C(=O)N1CCOCC1 225253459 DHJZLCMTENMDGQ-OAHLLOKOSA-N 448.497 1.286 0 40 IDAB O=C(NCCCN1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225563914 LFBAVNHOSNAQQW-UHFFFAOYSA-N 443.569 1.886 0 40 IDAB COCCS(=O)(=O)N1CCC(NC(=O)[C@H](C)Oc2ccn(-c3ccccc3)n2)CC1 226853148 AITUWCOGGAMESG-INIZCTEOSA-N 436.534 1.196 0 40 IDAB CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C 245229908 IFAWXFBHEBGLFS-WLNKUXMVSA-N 425.529 1.777 0 40 IDAB CN(C)S(=O)(=O)N1CCc2c(O)nc([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 247946071 JYEAVPZCPZDXDT-RHSMWYFYSA-N 435.550 1.367 0 40 IDAB COc1ccc(NC(C)=O)c(NC(=O)CN2CCC[C@@](C)(C(=O)N3CCOCC3)C2)c1 257321080 WAACDNDTWIMKLH-JOCHJYFZSA-N 432.521 1.553 0 40 IDAB CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3cccnc3)cn12 306124875 CBEKXNRXUONQFT-SFHVURJKSA-N 429.488 1.337 0 40 IDAB O=C(NCc1cccnc1)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710177 RFCGEPQHZDMBGD-UHFFFAOYSA-N 432.436 1.995 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2ccc(C(F)(F)F)cc2)C1 585290643 RXBRVMDUGVOADL-MSOLQXFVSA-N 430.448 1.592 0 40 IDAB COC(=O)[C@@H](Cc1cncs1)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 1665316259 MAADGWCCKQKITM-MRXNPFEDSA-N 439.515 1.168 0 40 IDAB O=C(CN(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1F)NC[C@@H]1CCCO1 887649 CMDWUZBBRWJBBZ-AWEZNQCLSA-N 444.492 1.869 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(=O)n(C)c1=O 3241072 JRXVCGDWEJPMDT-UHFFFAOYSA-N 444.447 1.921 0 40 IDAB Cc1cc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)ccc1F 8594386 NYODHJXIDZGZNA-UHFFFAOYSA-N 434.493 1.962 0 40 IDAB C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8760453 QDZXBMVBTFSPAQ-ZBFHGGJFSA-N 445.497 1.253 0 40 IDAB CSCC[C@H](NC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)C(C)C)C(=O)O 8971775 AHZPEZSCSMRGDA-HOCLYGCPSA-N 433.534 1.913 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c1 9562468 AYMHIBHJAJBROP-SFHVURJKSA-N 444.513 1.429 0 40 IDAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)c1ccc(N2CCCC2=O)cc1 10026916 CACNGKXUSWYQML-CQSZACIVSA-N 448.570 1.894 0 40 IDAB Cn1nc(C2CCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)c2cccnc21 12186771 UQPIJABAOUVVPZ-UHFFFAOYSA-N 427.530 1.955 0 40 IDAB Cc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1NC(=O)c1ccco1 12613354 HUUCVAJCRHHFGJ-UHFFFAOYSA-N 440.500 1.457 0 40 IDAB CN1CCC2(CC1)NC(=O)N(CN1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2=O 12681641 NNCOFBQYPHYNFP-UHFFFAOYSA-N 443.504 1.040 0 40 IDAB CCCCn1c(N)c(N(CCC)C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(=O)[nH]c1=O 13073335 FHDBCSNTBQHLHI-HUUCEWRRSA-N 447.536 1.227 0 40 IDAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc3c(c2)OCO3)cc1 13371675 BZXFGSOFVLOVPX-LPHOPBHVSA-N 439.511 1.153 0 40 IDAB C[C@H](C(=O)NCCCN1CCCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 13671801 IQHFHSOBUZGQND-QGZVFWFLSA-N 439.578 1.995 0 40 IDAB Nc1nnc(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)s1 15525408 FAXGIIKZXBLFIK-UHFFFAOYSA-N 439.588 1.976 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnc2n(c1=O)CCS2 15827236 LJTVYRKSDJPERR-UHFFFAOYSA-N 434.543 1.454 0 40 IDAB COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2ccncc2)CC1 19290323 ZYCDFNYUFVBEJU-UHFFFAOYSA-N 441.513 1.637 0 40 IDAB CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)CN2CCCCC2)CCO1 19702944 GSOYFBYFXUKCHU-KRWDZBQOSA-N 446.573 1.746 0 40 IDAB COCCNC(=O)c1cc([C@H]2CN(C(=O)CN3CCCC3)CCO2)nc2ccccc12 19759363 AXPOEMWXFPYJDC-OAQYLSRUSA-N 426.517 1.607 0 40 IDAB Cc1c(C(=O)N2CCO[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)cnn1C 19759736 XTYDTPXSXSVQBP-NRFANRHFSA-N 437.500 1.555 0 40 IDAB COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1OC 20181815 NBPLQQYBVXZJOQ-UHFFFAOYSA-N 433.530 1.858 0 40 IDAB COC(=O)CCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 21970188 GMDSEYQSNQHJDF-IBGZPJMESA-N 442.534 1.610 0 40 IDAB Cc1nnc(SCC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1Cc1ccccc1 23638769 WWOVNWBGCJNWIJ-UHFFFAOYSA-N 431.543 1.691 0 40 IDAB CCCCN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1c(N)n(CCCC)c(=O)[nH]c1=O 24004523 DREJXTQUIUNJNM-XCLFUZPHSA-N 437.566 1.506 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)CC1 38946938 GRFRPIBESVQMRF-OALUTQOASA-N 437.537 1.272 0 40 IDAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)o1 48263159 HHLODEMWRQMQQM-QGZVFWFLSA-N 447.513 1.394 0 40 IDAB CN(C)c1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)cc1 57520421 PCSAOCWSBPVGTL-UHFFFAOYSA-N 428.518 1.462 0 40 IDAB C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)c1nnc2n1CCCC2 89913823 GGDKBHMXBBHLJX-NSHDSACASA-N 434.294 1.980 0 40 IDAB COCCCNC(=O)Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc2c1=O 90610196 ZGOHLAVBDYRIDX-UHFFFAOYSA-N 435.528 1.876 0 40 IDAB O=C([C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3)CC2)O1)N1CCCCC1 96036814 OPHCWCGOKJAWKJ-IBGZPJMESA-N 444.557 1.974 0 40 IDAB Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)N1CCN(c2ccncc2)CC1 96147582 AZXVZDGSSVVKKK-UHFFFAOYSA-N 433.516 1.676 0 40 IDAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224083231 CVPZWXAOCKJKOO-YSIASYRMSA-N 425.529 1.924 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3ccc4c(c3)ncn4C(C)C)CC[C@@H]2O)CC1 257229885 FZWGKTMGVANOLJ-VXKWHMMOSA-N 427.549 1.747 0 40 IDAB CCOCCCNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 409137814 YCMIHVQIZYHCTA-UHFFFAOYSA-N 440.303 1.600 0 40 IDAB Cc1ncn(CC(=O)N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)c(=O)c1C 1775968723 SSWUZVDUGFYCSX-UHFFFAOYSA-N 436.520 1.304 0 40 IDAB Cn1cc(-c2cncc(N3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)n2)cn1 2298235909 BZCWNKOEDOYDDE-UHFFFAOYSA-N 430.398 1.660 0 40 IDAB Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cnn(C)c4)C3)ccc12 2806611 IKDXPCIXOCPART-CQSZACIVSA-N 430.486 1.874 0 40 IDAB CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(OC)cc1)C[C@H](C(=O)O)O2 8685920 LHQNYVAYHIMIJV-QGZVFWFLSA-N 441.483 1.530 0 40 IDAB C[C@H](NC(=O)c1ccc(Br)o1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12 8791940 DADMNSICFCRIQG-NSHDSACASA-N 436.310 1.547 0 40 IDAB biogenic CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 8824843 POXSHLVWXLJQFS-GFCCVEGCSA-N 447.419 1.853 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1ccc2c(c1)OCO2 8991203 DIYWBPPVNFODCV-OAHLLOKOSA-N 445.497 1.571 0 40 IDAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 9545887 QUSSBYYREJBNIH-UHFFFAOYSA-N 434.470 1.629 0 40 IDAB O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)NC[C@H]1CCCO1 9578381 AMSUOWHXWXTYJL-MRXNPFEDSA-N 440.529 1.484 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCOc2ccccc2F)cc1 10998673 VZDBDSOVIDOMKQ-AWEZNQCLSA-N 437.493 1.988 0 40 IDAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12697810 LOKZQFOKXNEFLC-QZTJIDSGSA-N 431.514 1.751 0 40 IDAB CCn1c(COC(=O)c2nccnc2N)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12744862 BTMRGNWEKQWTQR-UHFFFAOYSA-N 444.517 1.960 0 40 IDAB O=C(O)[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12794448 YLYSNJGCUVZDRF-MRXNPFEDSA-N 438.502 1.324 0 40 IDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12797293 JOQRVAJXADVMSN-ROUUACIJSA-N 433.530 1.975 0 40 IDAB COc1ccc(CC(=O)NCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 12922246 IDPVBNITSVBVBM-UHFFFAOYSA-N 436.505 1.757 0 40 IDAB CCOC(=O)Cc1nn(CN2CCN(c3ncccn3)CC2)c(=S)n1Cc1ccco1 13000286 PYIJYCQOMQEVMK-UHFFFAOYSA-N 443.533 1.731 0 40 IDAB CC(C)Cn1c(N)c(C(=O)CSc2nnc(Cc3ccccc3)o2)c(=O)n(C)c1=O 13057643 NCMMXPQVEACGKI-UHFFFAOYSA-N 429.502 1.734 0 40 IDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13117352 CUKRQWYCNXZWKA-UHFFFAOYSA-N 446.529 1.461 0 40 IDAB O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 15271715 IXHGFGKIZRLZKG-UHFFFAOYSA-N 434.470 1.561 0 40 IDAB C[C@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccc(F)cc1F 15392851 KLCGAKHUCLPNQX-JTQLQIEISA-N 425.417 1.416 0 40 IDAB Cn1c(=O)c2c(ncn2CCC(=O)NCC2(N3CCCCC3)CCCCC2)n(C)c1=O 16204606 PFTOGUYATNTMPR-UHFFFAOYSA-N 430.553 1.129 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2CN2CCOCC2)cc1 18213998 QGYNAPARXSKMKA-UHFFFAOYSA-N 431.558 1.764 0 40 IDAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)CN4CSCC4=O)C3)c2N)cc1 19558651 FUWYFULBOJPJCX-AWEZNQCLSA-N 443.529 1.417 0 40 IDAB CNC(=O)c1ccc(-c2ccc([C@@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)nc2)cn1 19693526 OEOLOZQKPPZRQK-FQEVSTJZSA-N 432.484 1.929 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)cc1 26541643 WAKLIMSORBYLNJ-UHFFFAOYSA-N 431.470 1.136 0 40 IDAB COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc1 36394182 AYJXOALGGKBDRZ-HXUWFJFHSA-N 435.546 1.653 0 40 IDAB COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)c1C 84007916 CFKHQDIRJGHAOE-UHFFFAOYSA-N 436.486 1.877 0 40 IDAB C[C@@H]1CN(CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)C[C@@H](C)O1 95459717 LVIHGPVJYXIAIX-HZPDHXFCSA-N 439.503 1.811 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2cccnc2)c2sc(=O)[nH]c2S[C@H]31 100902034 MLQZGIPLWFHGLW-FDLCOSGESA-N 443.506 1.389 0 40 IDAB Cc1cc2ncc3c(n2n1)CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C3 208035472 KYGDIVZMWGCALQ-UHFFFAOYSA-N 441.513 1.257 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)CC1 408611388 WWPHYDYDILGCOD-INIZCTEOSA-N 441.550 1.689 0 40 IDAB CNC(=O)Cn1nc(NC(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C 504617909 ANJDIXABHHGYIW-CQSZACIVSA-N 428.493 1.478 0 40 IDAB CN(C)S(=O)(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCc2ccccc2C1 585262291 CVFLDCXBWHHUSN-CZYKHXBRSA-N 431.558 1.390 0 40 IDAB NC(=O)Cc1csc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)n1 604419482 DGAYXUZPVPHXLL-LJQANCHMSA-N 447.476 1.924 0 40 IDAB CO[C@H]1CN(C(C)=O)CCCN(Cc2ccnn2C(C)C)CCCCOC[C@H](O)[C@@H]1O 2037971342 QKUGGJDGBQNGEX-FKBYEOEOSA-N 440.585 1.052 0 40 IDAB Cc1nc[nH]c1CN1C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)OCCCCCCOc2cccc1c2 2037972565 BJXIYWPASMDZMP-SSGKUCQKSA-N 449.548 1.138 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 2118862 ADJLKUUMIVVJMV-WYRIXSBYSA-N 432.473 1.693 0 40 IDAB biogenic O=C(COC(=O)CNC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1OC(F)F 3286998 FWSIIDSSEPPXQE-UHFFFAOYSA-N 439.396 1.508 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCC(=O)c2ccc[nH]2)CC1 3382125 NFISNNDZEPDYLZ-UHFFFAOYSA-N 434.470 1.628 0 40 IDAB Cc1ccc(-c2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2N)cc1 3393907 KLYWKDSPOOJKRP-UHFFFAOYSA-N 426.502 1.637 0 40 IDAB O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 4915444 XLUMOZQZGPJGTL-ZWKOTPCHSA-N 444.440 1.664 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)O 8790977 HQMVLGSYKQQKMW-CEMCJKAASA-N 433.530 1.765 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCc1ccc2c(c1)OCCO2 9441864 WNLSOBRWVMPZMK-UHFFFAOYSA-N 446.525 1.760 0 40 IDAB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCN3CCOCC3)c2)cc1 12557242 TYHHVJYXEIFUKU-UHFFFAOYSA-N 433.530 1.948 0 40 IDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 13117663 GZCNFGHELFXSNE-UHFFFAOYSA-N 449.467 1.495 0 40 IDAB CCCCN(C(=O)c1ccc2c(c1)nnn2CC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14720204 RYEVMZPAWKOMFS-UHFFFAOYSA-N 427.509 1.986 0 40 IDAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 15884091 WSJLVNCTEWPIIQ-UHFFFAOYSA-N 439.476 1.861 0 40 IDAB CS(=O)(=O)c1ccc2nc(NC(=O)c3nc(S(C)(=O)=O)ncc3Cl)sc2c1 16751395 YRYTUXMIYPZOLE-UHFFFAOYSA-N 446.919 1.799 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NCc3ccco3)nc(C3CCCC3)nc2n(C)c1=O 17148809 KHHSDLFXHXKMTO-UHFFFAOYSA-N 429.502 1.686 0 40 IDAB CN(CC(=O)Nc1cccnc1-n1cccn1)S(=O)(=O)c1ccc2c(c1)OCCCO2 23171003 GPTFJZHREROOQY-UHFFFAOYSA-N 443.485 1.688 0 40 IDAB COC(=O)c1sc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c(C(=O)OC)c1C 24527966 KFPINTUMVOWFGQ-UHFFFAOYSA-N 444.453 1.498 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 25164122 XASDWONUHOMHAY-UHFFFAOYSA-N 447.513 1.336 0 40 IDAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)Oc2ccccc21 26112828 FWPADIVZJHXULN-GOSISDBHSA-N 430.486 1.433 0 40 IDAB C[C@@H]1C[S@@](=O)CCN1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 72308399 FGTZRRPWEONOOD-LOKFHWFJSA-N 448.010 1.906 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ncccc3Br)CC2)CC1 96102941 WMCPYCUDFPMOPI-UHFFFAOYSA-N 446.367 1.886 0 40 IDAB CC(C)CC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(Cc3cnn(C)c3)C[C@@H]2C1 96251504 PEYLDDYHPFPTCR-OFNKIYASSA-N 431.581 1.366 0 40 IDAB COc1cccc(CCN2C[C@H]3CCN(C(=O)c4cnc(C)cn4)CC[C@H]3S2(=O)=O)c1 107183828 BKXLZDYLLWXAKA-WIYYLYMNSA-N 444.557 1.903 0 40 IDAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222818993 NBMREJJPEHOGAO-OAHLLOKOSA-N 447.985 1.491 0 40 IDAB COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc2O1 223020242 WLJGOCPCQKFOKA-INIZCTEOSA-N 426.472 1.187 0 40 IDAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(F)c(F)c3)C2)C(=O)N1Cc1ccccc1F 225390247 VOJUXUMWVARMBV-UZLBHIALSA-N 445.441 1.663 0 40 IDAB biogenic,in-vitro CNc1cc(N2CCC[C@](O)(CNCc3ccc(OC)c(OCCOC)c3)C2)ncn1 257248525 JEAMJJJFTPQYOZ-QFIPXVFZSA-N 431.537 1.673 0 40 IDAB COc1cccc(S(=O)(=O)N(C)C2CN(c3ccc4nnc(C(C)(C)C)n4n3)C2)c1 1565523589 RMDRLVIQUSVPAU-UHFFFAOYSA-N 430.534 1.940 0 40 IDAB CC(=O)N1CCN(Cc2ccncc2)CC=CCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)C1 2037971366 XQCSJAAEQAXCBO-WXFUMESZSA-N 449.592 1.472 0 40 IDAB COc1cc(OC)cc(C(=O)NN2C(=S)N(c3ccc(F)cc3)C(=O)[C@H]2CC(N)=O)c1 1443877 SIOAFLYDHGYULL-MRXNPFEDSA-N 446.460 1.365 0 40 IDAB COc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1S(=O)(=O)NC1CC1 8707568 JJDNPHLFUJQTLY-UHFFFAOYSA-N 431.514 1.804 0 40 IDAB COc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc(C(C)=O)cc4)cnc32)cc1OC 9517852 QJIJQDIGMBQIAJ-UHFFFAOYSA-N 448.439 1.836 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCc2ccco2)c1 9577810 UDCBKOGQUQESID-LJQANCHMSA-N 449.529 1.109 0 40 IDAB C[C@H]1Oc2ccc(NC(=O)[C@@H]3CCCN3C3=NS(=O)(=O)c4ccccc43)cc2NC1=O 9726014 VRALGDPWYKZZQY-WBMJQRKESA-N 440.481 1.958 0 40 IDAB COc1ccc(OC)c(NCCCn2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 10049425 QKYYIBHXLIHEMS-UHFFFAOYSA-N 426.477 1.812 0 40 IDAB CSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 12660220 NPQAQXMWDAMBJC-IMJJTQAJSA-N 437.518 1.225 0 40 IDAB CCN(C(=O)COC(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12919291 MMWYWEYYALHKSK-UHFFFAOYSA-N 428.470 1.439 0 40 IDAB CCOC(=O)C1=C(COC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)NC(=O)NC1 12990146 AINLACYGAIKZHL-UHFFFAOYSA-N 428.445 1.459 0 40 IDAB COc1cc2oc(=O)c(CC(=O)NCCNC(=O)[C@H]3CCCNC3=O)c(C)c2cc1Cl 13655859 ZAIDWRYSJODJLP-LBPRGKRZSA-N 449.891 1.065 0 40 IDAB CSCC[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14140397 ZVHNQCZQBTWLSR-SNVBAGLBSA-N 441.000 1.024 0 40 IDAB CC(C)CCc1c(O)nc(SCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)[nH]c1=O 15955561 RRPZKGOVHLYLHU-LSDHHAIUSA-N 444.557 1.964 0 40 IDAB COC(=O)c1c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)sc(C(N)=O)c1C 17098830 ZNCGMBGTAHWQFB-UHFFFAOYSA-N 434.493 1.842 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)/N=c1/sccn1Cc1ccccc1Cl)c(=O)n2C 17341305 GTHHTHFDVBTJCB-RELWKKBWSA-N 444.904 1.126 0 40 IDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)OCC(=O)c1ccc2c(c1)OCCCO2 19353866 LRBVCRBORXQISA-UHFFFAOYSA-N 431.422 1.419 0 40 IDAB COCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C1 19593087 MDBLNOFUGNGWFF-AWEZNQCLSA-N 428.464 1.460 0 40 IDAB Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 19756817 ZRTKCXRFNUWLBH-UHFFFAOYSA-N 432.550 1.398 0 40 IDAB Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccc(F)cc2)n(C)c1=O 20084387 KPABKOBTKFPAFF-UHFFFAOYSA-N 433.509 1.045 0 40 IDAB COC(=O)c1sc(NC(=O)c2nn([C@H]3CCS(=O)(=O)C3)c3c2CCCC3)nc1C 27985816 OVLJBUMUUBGPPE-NSHDSACASA-N 438.531 1.925 0 40 IDAB O=C(CCCn1cnc2ccccc2c1=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 31997399 MOBCBLCMHOPVFE-UHFFFAOYSA-N 441.513 1.105 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSc1nc(N)nc(N)n1 32745316 FRTUOKAQNQDSBA-UHFFFAOYSA-N 440.327 1.296 0 40 IDAB CN(C)CCNC(=O)c1ccc(OCc2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 36359996 CSQRQXFGOACIHZ-UHFFFAOYSA-N 437.518 1.171 0 40 IDAB Cn1c(CS(=O)(=O)Cc2csc(COc3ccc(F)cc3)n2)cc(=O)n(C)c1=O 48236022 UYGMNKMCWXBNMW-UHFFFAOYSA-N 439.490 1.374 0 40 IDAB O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 48278521 IROXBXLUHXQRAT-KBPBESRZSA-N 434.436 1.280 0 40 IDAB COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 64856750 WELGZGLNUGNJKZ-IBGZPJMESA-N 435.488 1.278 0 40 IDAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccccc1OC 67287453 XJOJGAPXEYGXTD-IBGZPJMESA-N 431.489 1.705 0 40 IDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2)NCc1ccccn1 71281390 QYZIPEOXQNGEET-UHFFFAOYSA-N 443.261 1.507 0 40 IDAB CSCC[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 95471287 IZAUTOOZXDSUAR-QWHCGFSZSA-N 444.604 1.322 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)CC1 222588780 JAFDTTCONXLYEX-UHFFFAOYSA-N 427.523 1.542 0 40 IDAB CN(C)CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 257222765 DUQHFHPWYNSYPD-HTDNTCHWSA-N 427.520 1.811 0 40 IDAB Cc1ccc(NC(SCC(=O)NC[C@@H]2CCCO2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409371578 XFMXIGYMSOUSAS-HNNXBMFYSA-N 446.529 1.697 0 40 IDAB Cc1noc(C)c1CNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 525641414 SMDVFNGZWXWEBB-UHFFFAOYSA-N 429.296 1.723 0 40 IDAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCCc2ccc3c(c2)OCO3)[C@@H](O)C1 585284486 LHJAXLUJCVWPDC-UNMCSNQZSA-N 432.904 1.839 0 40 IDAB CO[C@H]1CN(C(C)=O)CCCN(C(=O)c2ccc(F)cc2)CCCCOC[C@H](O)[C@@H]1O 643583923 PDMQDEQDNKLFQG-ACRUOGEOSA-N 440.512 1.054 0 40 IDAB NC(=O)[C@@H](N)CCC(=O)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643588189 DMFUSZBWXVVINQ-IBGZPJMESA-N 444.576 1.500 0 40 IDAB Cc1ccc(OCC(=O)NCC(=O)OCc2cc(=O)n3nc(C(C)C)sc3n2)cc1 8605392 JHCYYJLDJBMLJJ-UHFFFAOYSA-N 430.486 1.821 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@]3(CCOc4ccccc43)C1=O)OCO2 9245602 QZNYQSWXGVDZAB-QFIPXVFZSA-N 437.408 1.786 0 40 IDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2c(C)nn(C)c2C)c2cc(Br)ccc21 9303378 DNHOANIOHBHLHQ-INIZCTEOSA-N 448.321 1.640 0 40 IDAB O=S(=O)(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 9570269 ZJCCZHRYGCWAEV-UHFFFAOYSA-N 445.513 1.395 0 40 IDAB COc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@H]32)c1 9675565 IYJXILDGYGPSBC-OALUTQOASA-N 439.428 1.644 0 40 IDAB CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)CC1 10131927 AYKIIICVHMALFF-UHFFFAOYSA-N 449.305 1.974 0 40 IDAB COc1cc(OC)cc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1 11796037 RGIBHCJTRLXPPA-UHFFFAOYSA-N 447.557 1.976 0 40 IDAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 12890211 VBNNFFDEAPDYKV-UHFFFAOYSA-N 430.490 1.207 0 40 IDAB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc(S(N)(=O)=O)c1C 12925685 SFAZNBRHDTTYAC-UHFFFAOYSA-N 429.542 1.844 0 40 IDAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)N1CCN(C)CC1 13557314 DYETYILBGCWBFC-XKTJCTHUSA-N 430.574 1.561 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 14000237 MRCPGNNGRZIBHC-RHSMWYFYSA-N 441.532 1.716 0 40 IDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 16753839 BTWSZTVPJLFHEH-ZDUSSCGKSA-N 443.934 1.363 0 40 IDAB COc1ccc(CC(=O)N2CCC(Cn3nnn(-c4cccs4)c3=O)CC2)cc1OC 19560363 APVHAWIWEZXQLF-UHFFFAOYSA-N 443.529 1.989 0 40 IDAB CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 19573492 HOBVJNHYRDUNCP-UHFFFAOYSA-N 438.575 1.976 0 40 IDAB CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)NCCN2CCCC2=O)[C@@]1(C)C(=O)c1ccccc1N 19576072 UFBAWXCWXCMQPJ-YZZKKUAISA-N 428.533 1.357 0 40 IDAB C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1CCCC1 21327094 OUKIDJPAOUCEOU-CYBMUJFWSA-N 426.491 1.117 0 40 IDAB COCCNC(=O)CSc1nnc(N2CCN(C(=O)Cc3cccs3)CC2)s1 23141878 RCCDZDMJSZJLOX-UHFFFAOYSA-N 441.604 1.346 0 40 IDAB O=C(Nc1ccc(N2CCOCC2)nc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 23188469 WIYGIFHABFZSAC-UHFFFAOYSA-N 431.518 1.353 0 40 IDAB Cc1cc(CN(C)C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)no1 25135639 ZFZGTBGANUAONL-UHFFFAOYSA-N 434.518 1.255 0 40 IDAB COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCCCC2)CC1 36351203 OHFFJADYAGDKDI-UHFFFAOYSA-N 430.958 1.635 0 40 IDAB COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1F)C(=O)OC 36569449 NKLDNPWHTWWIHH-CRAIPNDOSA-N 434.424 1.319 0 40 IDAB Cc1cc(C)nc(Nc2nc(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cs2)n1 49029479 KBFAGNKROUTWPY-UHFFFAOYSA-N 446.558 1.842 0 40 IDAB O=C(CN1c2ccccc2N(CC(=O)NCc2ccco2)S1(=O)=O)NCc1ccco1 58244486 ZPHAEZGVIQRCBS-UHFFFAOYSA-N 444.469 1.377 0 40 IDAB O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 65515079 MCXPJUPCGSKDGC-ZWKOTPCHSA-N 430.505 1.839 0 40 IDAB CCOC(=O)c1c(NC(=O)C(=O)NC[C@H]2CCCO2)sc(C(=O)OCCOC)c1C 72309171 KCTGUFLELXPBQC-GFCCVEGCSA-N 442.490 1.270 0 40 IDAB CN1C(=O)CO[C@@H](C(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)[C@@H]1c1ccccc1 223157105 QLZGDXAWTRKJFP-VQTJNVASSA-N 431.514 1.615 0 40 IDAB CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 225963071 ZTPULFOEOVTHKH-UHFFFAOYSA-N 430.574 1.658 0 40 IDAB CCOCCCN1C[C@H](C(=O)N2[C@H]3CC[C@H]2Cn2c(nc4ccccc4c2=O)C3)CC1=O 248319319 PZSBIVAHCRRGMO-SQNIBIBYSA-N 438.528 1.587 0 40 IDAB CCN1CCN(C(=O)CNS(C)(=O)=O)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257237134 HFHUXUAWPBHNRY-LJQANCHMSA-N 444.557 1.147 0 40 IDAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)O)c(OC)c2)C1=O 409203208 VTFLRXDPEHOIRJ-DHDCSXOGSA-N 438.458 1.348 0 40 IDAB CS(=O)(=O)c1ccc(CN2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@H]3C2)cc1 1549162727 VSVWWHUPIGNNRA-LJQANCHMSA-N 447.557 1.498 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 1641396627 IWAGPWQDYQQFHC-HNNXBMFYSA-N 449.581 1.582 0 40 IDAB CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2cccc(F)c2)C1=S 662345 YVCGPKYBMGQPPK-KRWDZBQOSA-N 428.489 1.647 0 40 IDAB CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(C)cc1C 6549441 SNSYWTDXYZISJL-VAMGGRTRSA-N 437.445 1.600 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 8231383 FILZFNLAOVLMSO-PEBXRYMYSA-N 425.489 1.772 0 40 IDAB Cc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1S(=O)(=O)N1CCCCCC1 9314382 ZPIRMFITBZVQEX-UHFFFAOYSA-N 436.578 1.696 0 40 IDAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 9666703 QYVQCBUUDBJOCV-LBPRGKRZSA-N 438.531 1.294 0 40 IDAB O=C(CCN1CCC[C@H](C(=O)N2CCOCC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 9982964 VSQNZZDZJCCCON-WNZYQOIOSA-N 446.592 1.742 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12608367 JAOTXWOENVSDPE-UHFFFAOYSA-N 430.486 1.277 0 40 IDAB CCCCN(C(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl)c1c(N)n(CCC)c(=O)[nH]c1=O 12699792 LMXSEPGZZLDEAP-QGZVFWFLSA-N 449.335 1.789 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CN2CCN(C(=O)C3CC3)CC2)C1=O 13113360 VLDBPLLCUPURAB-QFIPXVFZSA-N 428.489 1.127 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)n1 13730479 PFAGXXHSXPPWAR-UHFFFAOYSA-N 443.485 1.173 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O 14184294 UNGBJSPRLBPLIE-UHFFFAOYSA-N 438.532 1.895 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 16044445 NFLMEORRJGFHOR-GOSISDBHSA-N 439.559 1.974 0 40 IDAB COc1cccc([C@@H]2CN(Cc3cnc(N4CCOCC4)nc3)C[C@]23CCCC(=O)N3)c1 19566075 DPTOVNFJVNTXTA-XUZZJYLKSA-N 437.544 1.960 0 40 IDAB Cc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)ncc1C(=O)NCc1ccc(F)cc1 19751939 NPFBZTUSVGIBAD-MRXNPFEDSA-N 435.525 1.840 0 40 IDAB O=C(NCCN1CCN(C(=O)c2ccccc2Cl)CC1)C(=O)Nc1ccc(F)cc1 19805815 XVYNGNQBTXUJQH-UHFFFAOYSA-N 432.883 1.992 0 40 IDAB COc1cccc(OC)c1OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 20347392 SRZSUVAPPCPMOH-SFHVURJKSA-N 430.501 1.990 0 40 IDAB NC(=O)COc1ccccc1C(=O)OCC(=O)N1CCN(Cc2ccccc2F)CC1 22866293 INHSUCTZCYMAGL-UHFFFAOYSA-N 429.448 1.191 0 40 IDAB C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 23055066 WSRCNHNFYBLVAN-DARAHFNDSA-N 430.457 1.892 0 40 IDAB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(S(=O)(=O)N2CCOCC2)CC1 31247850 IZWXWAKCFXPMLW-UHFFFAOYSA-N 432.546 1.382 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nnco4)cc3)CC2)cc1 32727632 PERCNOXMNQOYOB-UHFFFAOYSA-N 428.470 1.892 0 40 IDAB CCn1cc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(=O)NCCc2ccccc2)n1 36007222 VGNJGQZJUASWAM-XDNAFOTISA-N 426.473 1.692 0 40 IDAB O=C(NCCn1ccnc1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 40051390 HDQPCGHRJUGTAQ-UHFFFAOYSA-N 446.451 1.999 0 40 IDAB O=C1N[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CS[C@H]1Cc1ccccc1F 40052196 HRXMGTJELOOVAB-UXHICEINSA-N 441.528 1.953 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2CN2CCOCC2)C[C@@H](C)O1 48274249 PSPOZBKXNOAIMB-CALCHBBNSA-N 440.566 1.079 0 40 IDAB COc1cccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 56998126 ACUQBVVMKBDJMN-MSOLQXFVSA-N 430.482 1.438 0 40 IDAB CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)CC1 72327606 TYXXFWVZMZNRSA-QMHKHESXSA-N 427.501 1.482 0 40 IDAB Cc1ccc([C@@H](CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)N2CCCC2)o1 78726127 MRITWHGHJYBZJO-QGZVFWFLSA-N 430.530 1.970 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@H]4[C@@H](C3)OCCN4C)ccc2C)cc1 89651309 DNJALXHLHKTVCD-VQTJNVASSA-N 445.541 1.959 0 40 IDAB CC(C)c1sc(Br)nc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 95473792 KSCOPLBJSZOBLV-UHFFFAOYSA-N 425.374 1.593 0 40 IDAB C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1=O 95478642 WKBKKTCKFLNOOF-OAQYLSRUSA-N 429.498 1.057 0 40 IDAB O=C(c1ccc(OCC(F)(F)F)nn1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 96004529 PVZPVTVTDPZCIO-UHFFFAOYSA-N 449.433 1.765 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)n1 96105263 SIXZGANYDMOFOE-ZDUSSCGKSA-N 442.505 1.475 0 40 IDAB COc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NC5CC5)CC4)c3CO2)cc1 97139327 SYYGFAXAYFYZLF-LJQANCHMSA-N 425.489 1.689 0 40 IDAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222887302 FVZCLFZULCZHTJ-GOSISDBHSA-N 431.558 1.967 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 224736705 MBVYDVCHHDESKT-UHFFFAOYSA-N 435.502 1.476 0 40 IDAB CCN(CC(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21)S(=O)(=O)c1ccc(C)cc1 226048060 FFZFQSSEPNPMNA-IBGZPJMESA-N 432.498 1.973 0 40 IDAB CNc1cc(N2CCC[C@](O)(CNCc3ccc(OCCN(C)C)c(OC)c3)C2)ncn1 257228282 FTHHOYOBVMSAAW-QHCPKHFHSA-N 444.580 1.588 0 40 IDAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 408588443 GHRFHJCCBYZHGJ-CYBMUJFWSA-N 441.531 1.427 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408652880 DGLXHFDSUHOIJK-PEMVHADBSA-N 428.441 1.381 0 40 IDAB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)o3)C2=O)cc1 409009472 AHSNYDBNCRWQLU-ATVHPVEESA-N 426.429 1.656 0 40 IDAB O=S1(=O)CC[C@H](NN(C(c2ccccc2)c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1 575420692 JEMHLGVHLFYJPX-PMACEKPBSA-N 434.583 1.957 0 40 IDAB CCN1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 585168867 VRIBECTWASLRIZ-NHCUHLMSSA-N 448.523 1.944 0 40 IDAB CC1(C)COc2c(S(=O)(=O)N3CCOc4ccc(S(C)(=O)=O)cc43)cnn2C1 1561352602 HLXBRROBSBHXBL-UHFFFAOYSA-N 427.504 1.293 0 40 IDAB Cc1cc([C@H](O)[C@H](O)CO)c(Cc2ccc(N[C@@H]3CC(=O)O[C@H]3/C=C/[C@@H](C)O)cc2)o1 1772591827 QZRCQDUNRLFOKR-VUTGPDSESA-N 431.485 1.598 0 40 IDAB O=c1ccc(-c2ccncc2)nn1C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1775974531 UOFMTDLLLQOBDJ-UHFFFAOYSA-N 426.454 1.322 0 40 IDAB NC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC1(O)CCN(c2cccc(F)c2)CC1 2037845580 CZFTYUDXALWDTF-JOCHJYFZSA-N 426.536 1.829 0 40 IDAB CC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 842696 ZMYVXNQBLJFNRP-SFHVURJKSA-N 449.916 1.711 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCC(C)C)c1 4357582 DIHYTTRCEIPHBY-SFHVURJKSA-N 425.551 1.319 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](n2ccc3ccccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 8671441 LCOUBIHGTOPVKV-LXHROKJGSA-N 447.440 1.897 0 40 IDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC 8917843 MMQUYVMIBCZPRK-CKNLXJGOSA-N 448.472 1.568 0 40 IDAB biogenic O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9340852 UONONOUPAHREQI-QGZVFWFLSA-N 442.541 1.926 0 40 IDAB Cc1nnc(NC(=O)CSc2nc(CC(C)C)nc3c2c(=O)n(C)c(=O)n3C)s1 9517422 AIBHOTFOSGBKIB-UHFFFAOYSA-N 435.535 1.116 0 40 IDAB COc1cc(OC)c(N2C[C@@H](C(=O)O[C@H](C)C(=O)N3CCOCC3)CC2=O)cc1Cl 12777948 SMZZKZIDIZJVDH-OLZOCXBDSA-N 440.880 1.501 0 40 IDAB Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccc4c(c3)OCO4)cc21 13364566 CZSYSICYWJPTFX-UHFFFAOYSA-N 438.440 1.055 0 40 IDAB CCCCN(C(=O)CSc1n[nH]c(=O)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 16803026 FECSHSDUNOQOPC-INIZCTEOSA-N 438.575 1.528 0 40 IDAB CC(=O)NCc1ccc([C@H]2CN(S(=O)(=O)c3ccc(F)c(C)c3)C[C@@H]2C(N)=O)cc1 19698742 ZOICSIXMVWSMSB-MOPGFXCFSA-N 433.505 1.660 0 40 IDAB Cc1nn2c([C@@H]3CN(C(=O)c4cccnc4)CCO3)ccnc2c1CN1CCC(O)CC1 19707727 XYTLMXXOZUEOLH-NRFANRHFSA-N 436.516 1.603 0 40 IDAB O=c1[nH]c(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc2scc(-c3ccco3)c12 22807475 DPSOBQQQFQBYBN-ZDUSSCGKSA-N 434.543 1.549 0 40 IDAB CC1CCN(Cc2ccc(CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)cc2)CC1 24898068 IEADMQCQVAFEOF-UHFFFAOYSA-N 435.528 1.794 0 40 IDAB COc1cc(Br)c(CC(=O)OCCN2C(=O)NC(C)(C)C2=O)cc1OC 28184504 LFYFKHTWEYWGGO-UHFFFAOYSA-N 429.267 1.882 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc(OC)c3OCC(=O)O)C2=O)o1 33659349 MTQZTCMZIXFENJ-MDWZMJQESA-N 430.369 1.631 0 40 IDAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(O)CC3)cc2c1 57594491 YDFSXWZNLRSDCK-FXAWDEMLSA-N 440.504 1.248 0 40 IDAB CCc1ccc([C@@H](COC)NC(=O)CNS(=O)(=O)c2cc(OC)ccc2OC)o1 83825383 GIYCZZRUEWFLHA-OAHLLOKOSA-N 426.491 1.641 0 40 IDAB Cn1cc(I)c(=O)n(CC(=O)Nc2ccnn2C2CCCC2)c1=O 89749781 FJGCGKMMUZPCSZ-UHFFFAOYSA-N 443.245 1.102 0 40 IDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2c(C)nc3n2CCCC3)CC1 95456600 FXHCCQJCLOLXHM-SFHVURJKSA-N 437.610 1.376 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)C[C@H](Cn2cnnn2)c2ccc(Cl)cc2)cc1 95477567 DEVSSGFYUIHARH-OAHLLOKOSA-N 434.909 1.464 0 40 IDAB O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)Nc1ccc(F)cc1F 98213090 PANJETFMQFMSGM-UHFFFAOYSA-N 431.374 1.757 0 40 IDAB Cc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccco2)cc1 100229909 WILNNEXLSOHUSY-IBGZPJMESA-N 448.357 1.626 0 40 IDAB CN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1 224315752 TYUNZACFEYTSBT-UHFFFAOYSA-N 431.440 1.952 0 40 IDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 225599933 QCZUUICPADPKER-UHFFFAOYSA-N 438.984 1.827 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 226035384 OBZDWEQGNHFFOR-SFHVURJKSA-N 434.470 1.283 0 40 IDAB O[C@H]1CCN(Cc2cccc(OCCn3cncn3)c2)C[C@]1(O)COc1ccc(F)cc1 585282027 GAGMAOFXKBQPIR-GOTSBHOMSA-N 442.491 1.873 0 40 IDAB CO[C@H]1CN(C(C)=O)CCCN(CCCc2ccc(C)o2)CCCCOC[C@H](O)[C@@H]1O 643913255 NMGOMNNKHARUGU-VABKMULXSA-N 440.581 1.608 0 40 IDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 3350756 HNDXUALNYDCEQO-FQEVSTJZSA-N 445.516 1.632 0 40 IDAB Cn1c(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)nc2ccccc21 9157020 JQFHTRYNSDKQSK-MRXNPFEDSA-N 428.514 1.961 0 40 IDAB O=C(c1cccs1)N1CCC[C@H]1C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9283084 MSKBVOIWUWCJQK-OAGGEKHMSA-N 426.560 1.547 0 40 IDAB CCOC(=O)C1=C(COC(=O)c2ccccc2-n2cnnn2)NC(=O)N[C@H]1c1ccccc1 9639748 KQJAGDNQSYQYIW-IBGZPJMESA-N 448.439 1.690 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cccc(F)c3)C2=O)cc1OC 9675588 OSIBDANQJVOQNR-MSOLQXFVSA-N 427.392 1.775 0 40 IDAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 10022814 OPDRCBZELHZAKN-UHFFFAOYSA-N 443.507 1.962 0 40 IDAB COC(=O)C1CCN(C(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)CC1 10542129 PDVFNVPHQZXYEF-LBPRGKRZSA-N 432.926 1.915 0 40 IDAB O=C(NCCC(=O)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 12322709 HKZBSNCCALOJBD-HNNXBMFYSA-N 427.954 1.869 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(-n4cnnn4)c3)cc2)C[C@@H](C)O1 12598680 VLPJZIWBRHIARX-GASCZTMLSA-N 442.501 1.713 0 40 IDAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 12629205 BAHQOTBVBUWOIA-UHFFFAOYSA-N 436.497 1.455 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](CCC(=O)O)C(=O)O 12889834 FOYFLALCUWRAIR-NDGTYSDOSA-N 434.449 1.004 0 40 IDAB biogenic CCN(C(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 13576306 VPIMUBLVOONUNC-WJQTUHTMSA-N 426.491 1.898 0 40 IDAB CC(=O)N1CCc2c(O)nc([C@H]3CCCN3C(=O)Cc3ccc4c(c3)OCCO4)nc2C1 19019021 LZQKGTGWOSCVBD-GOSISDBHSA-N 438.484 1.764 0 40 IDAB COc1cccc(CC(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CC3)C4)C2)c1 19564074 PPOBBFYWJCNKFH-QGZVFWFLSA-N 436.512 1.632 0 40 IDAB C[C@@H]1C[C@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 19699428 MNBMMYVBOXMGQF-VQIMIIECSA-N 438.528 1.860 0 40 IDAB Cc1cccc(NC(=O)CN2CCN(CN3C(=O)C(=O)N(C4CCCC4)C3=O)CC2)c1C 22919574 HWGUNVJHKBNABD-UHFFFAOYSA-N 441.532 1.550 0 40 IDAB CCNc1nc(NCC)n2nc(SCC(=O)Nc3ccccc3C(=O)OC)nc2n1 25581464 YKSJAEMVZWYQNI-UHFFFAOYSA-N 430.494 1.900 0 40 IDAB O=C(OCc1cc(=O)n2ccccc2n1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 32747221 NSSWBGXXVNXQKD-GOSISDBHSA-N 427.482 1.981 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccccc2F)c(=O)n1CC(=O)N1CCC(C)CC1 33528092 RBRRRFJAAVMIMD-FDTGUPFSSA-N 432.517 1.480 0 40 IDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)n1 40107529 IRJZIHVRINPGEW-UYAOXDASSA-N 444.557 1.183 0 40 IDAB COc1ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc1[C@@]1(C)NC(=O)NC1=O 48303840 ZCAQSDIOQDFQPA-LJQANCHMSA-N 426.539 1.147 0 40 IDAB COc1ccc(OCCc2cc([C@H]3CCN(S(=O)(=O)N4CCOCC4)C3)n[nH]2)cc1 72371304 BTECQWYZEHFVQO-INIZCTEOSA-N 436.534 1.406 0 40 IDAB COC(=O)Cc1csc(N(C)C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)n1 78813209 JWJOTRQMLSEXPM-AWEZNQCLSA-N 443.481 1.910 0 40 IDAB O=C(c1ccccn1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1cccc(Cl)c1)S3(=O)=O)O2 96264010 YDALCJGPZMNLFL-KPFFTGBYSA-N 433.917 1.933 0 40 IDAB CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)CC1 96377334 GCJDKRYGCZZFDC-UHFFFAOYSA-N 442.481 1.160 0 40 IDAB Cc1ccc([C@@H](c2c(O)n3c(nc2=O)SCC3)c2c(O)nc3n(c2=O)CCS3)cc1 100134020 TXWXJJNVOPGHLD-GFCCVEGCSA-N 442.522 1.911 0 40 IDAB Cn1cc(S(=O)(=O)N2CCCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)cn1 225597428 UGJSQUZROSLRLU-UHFFFAOYSA-N 432.546 1.392 0 40 IDAB Cc1nonc1CC(=O)N1CCN(C)[C@H](C(=O)NCCc2ccc(C(F)(F)F)cc2)C1 257207376 BHMKWAHFJWODGA-KRWDZBQOSA-N 439.438 1.441 0 40 IDAB COC[C@H](C)NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 408605633 JSZKXPSRXQMRBA-JTQLQIEISA-N 426.276 1.208 0 40 IDAB Cn1c(=O)n(C)c2cc(NC(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)ccc21 408616001 DURQVOGUJPCIQB-UHFFFAOYSA-N 432.458 1.010 0 40 IDAB COc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1 575426744 ZEEJKIVRUQVNPO-HZPDHXFCSA-N 427.500 1.057 0 40 IDAB CN(C)c1nc(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)nc(N2CCCC2)n1 575608315 XVDUBMLSANEOGR-UHFFFAOYSA-N 440.476 1.464 0 40 IDAB COCC(=O)N1CCCN(C)CCN(C(=O)CCCn2cncn2)Cc2ccccc21 643554427 IOVDWDJBRRCDMY-UHFFFAOYSA-N 428.537 1.402 0 40 IDAB C[C@@]1(C(=O)NCc2ccc3c(c2)C(=O)NCC3)C[C@@H](O)CN1C(=O)OCc1ccccc1 1611288254 BWAPNZQOUJWQQB-DVECYGJZSA-N 437.496 1.751 0 40 IDAB COc1c2c(cc3c1OCO3)CC[N+](N1CCc3cc4c(c(OC)c3[C@H]1O)OCO4)=C2 2037186 UOMFYMHHTALLMB-JOCHJYFZSA-N 427.433 1.613 0 40 IDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)C2=O 8719117 PBMVBAKXPIPTPG-YCRPNKLZSA-N 448.545 1.910 0 40 IDAB CC(C)[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9184395 RVBXWYYNNZLCTM-QFBILLFUSA-N 437.562 1.347 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@@H](O)COc1ccc(Cl)cc1 9369228 VGNZZMASBZSENT-SECBINFHSA-N 429.658 1.279 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1cc(=O)c2ccccc2o1 9570264 ZEUOOHPRSMODFE-UHFFFAOYSA-N 441.509 1.675 0 40 IDAB O=C(CSc1nnnn1Cc1cccs1)N1CCN(C(=O)c2cccs2)CC1 9711935 RYBBSGDJVNCCLE-UHFFFAOYSA-N 434.572 1.921 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 9974491 HBEFRECGLRQJSX-KRWDZBQOSA-N 438.546 1.898 0 40 IDAB C[C@@H](C(=O)NCCCN1CCCC1=O)N1CC2(CCOCC2)Oc2ccccc2C1=O 12086870 WYMFXIGKAGYMBM-KRWDZBQOSA-N 429.517 1.588 0 40 IDAB Cc1cc(NC(=O)[C@H]2C[C@@H](c3cn(C)nc3C)NS(=O)(=O)N2C)n(-c2ccccc2)n1 12131350 SOXOYACCMGAQIL-ZWKOTPCHSA-N 443.533 1.441 0 40 IDAB COC[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3F)CC(=O)N(CCN(C)C)C2=O)C1 12166524 WIMWKHGBFMDMTC-GAJHUEQPSA-N 433.524 1.659 0 40 IDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12391489 ZQYKZZFBZDMGKU-INIZCTEOSA-N 446.510 1.364 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@@H]1COc2ccccc2O1 12849628 HZCXVCSWUDMJHL-FQEVSTJZSA-N 447.513 1.410 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)CCOc2ccccc2F)cc1 12913185 VZDBDSOVIDOMKQ-CQSZACIVSA-N 437.493 1.988 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)n(C)n1 13615072 MWTQWMQUCRPTTJ-CQSZACIVSA-N 430.490 1.818 0 40 IDAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 14063214 WOSIURKNSDLEBA-UHFFFAOYSA-N 437.529 1.903 0 40 IDAB CCOC(=O)c1c(NC(=O)CN2CCC[C@H](C(=O)OCC)C2)sc(C(=O)NC)c1C 14183140 WUEJUBXMUMAFEW-ZDUSSCGKSA-N 439.534 1.806 0 40 IDAB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 15953686 GNHWIJRBWFZPSH-MDTICMOCSA-N 431.448 1.889 0 40 IDAB biogenic CNc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(C(=O)OC)n(C)c3ccccc23)n1 18194531 XMEQPEFEIAALQJ-UHFFFAOYSA-N 433.450 1.010 0 40 IDAB CC(C)[C@@H](C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O 19313153 HIIPTZQQUJBGAF-SFHVURJKSA-N 446.481 1.577 0 40 IDAB COCCc1ncc(CN2CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)cn1 19693269 MWRJMWROZIPRTE-IBGZPJMESA-N 434.500 1.795 0 40 IDAB CNC(=O)c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(CC(=O)N(C)C)cc2)nc1C 19711152 MFBXNWKXNQWJOY-FQEVSTJZSA-N 444.557 1.906 0 40 IDAB O[C@@H](COCc1ccc2c(c1)OCO2)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22030649 OVXQRVYYDKJFQZ-LJQANCHMSA-N 428.485 1.839 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1C 22066741 WNKDDHCPPRRPCN-MRXNPFEDSA-N 446.481 1.919 0 40 IDAB Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 22313748 LRPBJOVMLPVKJP-SFHVURJKSA-N 448.614 1.913 0 40 IDAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)c1 22766426 KTOPQLREBALPJU-IBGZPJMESA-N 429.546 1.750 0 40 IDAB NC(=O)c1c(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)sc2c1CCC2 22928809 RDCMWJUCQHICDJ-UHFFFAOYSA-N 442.541 1.821 0 40 IDAB Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@H](O)COc2ccccc2Cl)n(C)c1=O 23115200 QHJCEPABYDOSRB-ZDUSSCGKSA-N 433.896 1.127 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)CC(C)C)CC2)NC(=O)N[C@H]1c1ccc(C)o1 24828851 CMJFMFUXJWNDRP-FQEVSTJZSA-N 432.521 1.949 0 40 IDAB COc1ncccc1CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 30307088 PHRRPDCNCDBRFP-SFHVURJKSA-N 435.502 1.481 0 40 IDAB O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CCN(c2ncccn2)CC1 72329672 NNDPCOZJJFRLPC-UHFFFAOYSA-N 446.471 1.202 0 40 IDAB COc1ncc(C2(O)C[C@@H]3CC[C@@H](C2)N3C(=O)c2ccc3c(c2)OCCO3)c(OC)n1 100724800 KBPZEBNSBNBLMM-GJZGRUSLSA-N 427.457 1.920 0 40 IDAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(S(C)(=O)=O)cc1 219267907 OKOYQHVPLIBMGC-NVXWUHKLSA-N 431.580 1.176 0 40 IDAB Cc1nonc1CNC(=O)[C@H]1CN(C(=O)Cc2c(C)[nH]c3ccc(Cl)cc23)CCN1C 257293505 QPTKKYMKJITRIK-LJQANCHMSA-N 444.923 1.823 0 40 IDAB Cc1noc(C)c1CN1CCC2(CC1)CCn1c2nc2c(c1=O)CN(S(C)(=O)=O)CC2 306133287 MHQGKTCEJPKXLU-UHFFFAOYSA-N 447.561 1.103 0 40 IDAB COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4cccc(C)n4)C2)C3)cc1 306137376 QURZZZHFIGVFFL-DEOSSOPVSA-N 433.512 1.614 0 40 IDAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C)CC1=O 408659390 SGUXWIMIRKDWNF-HNNXBMFYSA-N 425.441 1.679 0 40 IDAB COC(=O)c1cn(C2CCN(C(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)nn1 544769243 KLVIJMZKNJADGM-UHFFFAOYSA-N 438.488 1.645 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)NCc3nc(N(C)C)nc(N4CCCC4)n3)CC2=O)cc1C 575607439 UCAFWLCPRPKHKU-KRWDZBQOSA-N 437.548 1.824 0 40 IDAB Cc1ccccc1N1CCC(O)(CN2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)CC1 585283401 OBCVUZAXQSBROL-VXKWHMMOSA-N 429.561 1.417 0 40 IDAB O=C(O)c1ccc(N2C(=O)CN(C3CCN(C(=O)NC4CCOCC4)CC3)C2=O)cc1 618255054 CXIUBDCVTFMNTR-UHFFFAOYSA-N 430.461 1.506 0 40 IDAB COc1cccc(CN2CCCCc3ccccc3OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C2)c1 643584749 RGUWVEKXCMSHBX-XWVZOOPGSA-N 431.529 1.356 0 40 IDAB COc1cccc(CN2CCCCOC[C@H](O)[C@H](O)[C@@H](OC)CN(C(C)=O)CCC2)c1 643913274 OOBFWZCNIYBZCX-VABKMULXSA-N 438.565 1.283 0 40 IDAB NC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCCCCC2)CC1 1712892978 FZRBXXKYODJKLC-GOSISDBHSA-N 432.569 1.667 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1 1775965706 AXGILMJGDGVJGI-UHFFFAOYSA-N 430.530 1.848 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 1330376 SAMAFUKAXCHFTH-UHFFFAOYSA-N 429.564 1.150 0 40 IDAB O=S(=O)(O)c1cc(I)c(O)c(I)c1 4777950 WUFWNWSUSBGBSH-UHFFFAOYSA-N 425.969 1.848 0 40 IDAB in-vitro O=C(O)Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O 8659917 IEMBYTNIWAZTNU-UHFFFAOYSA-N 445.472 1.736 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2ccco2)sc(C(C)=O)c1C 8685411 RTOHZYLLXNTCJH-UHFFFAOYSA-N 436.442 1.941 0 40 IDAB COc1cc(OC)c(N2C[C@H](C(=O)N3CCN(C(=O)C4CC4)CC3)CC2=O)cc1Cl 8745985 NQHHZRXNAMARRK-CQSZACIVSA-N 435.908 1.791 0 40 IDAB NC(=O)CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1 9600063 CGPANQICVUUKMX-UHFFFAOYSA-N 427.533 1.152 0 40 IDAB COc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1S(=O)(=O)N1CCCC1 9712097 DQQUGJDPXJESCF-UHFFFAOYSA-N 428.474 1.708 0 40 IDAB Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 10060216 VVXJGTGZVZBBDV-UHFFFAOYSA-N 438.527 1.428 0 40 IDAB C[C@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCO1 11502473 WZQMQOUCDBQONJ-HNNXBMFYSA-N 443.953 1.200 0 40 IDAB Cc1cc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)on1 12159439 RNUCZMDTHYSWAK-KRWDZBQOSA-N 432.502 1.840 0 40 IDAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 12802570 LBSQQCWKTMAWMY-FPTDNZKUSA-N 431.456 1.407 0 40 IDAB C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 12911341 NCOBCQVAZGCONL-QAPCUYQASA-N 449.529 1.577 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)COc2ccccc2F)c(=O)[nH]c1=O 13149726 UQXDPQVRWHQVPZ-UHFFFAOYSA-N 442.447 1.517 0 40 IDAB O=S1(=O)C[C@H](N2CCN(c3ccccc3F)CC2)[C@@H](S(=O)(=O)c2cccs2)C1 13371209 APABPPVIIJFABU-IRXDYDNUSA-N 444.575 1.649 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 13573276 UMSWYBBSMHRQPH-XTDOFWJNSA-N 436.306 1.472 0 40 IDAB COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)N1CCc2ccccc21 13730321 IEOSMBXDDVNLRB-CYBMUJFWSA-N 436.511 1.759 0 40 IDAB CC1CCN([C@H](CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c2cccs2)CC1 14515247 WGMOMLFVDKEACP-OAHLLOKOSA-N 444.561 1.085 0 40 IDAB CCc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1 15935821 FEJDNFJGJKXZSD-PMERELPUSA-N 426.502 1.859 0 40 IDAB O=C(O)CC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16021992 RTTDALGSQFWQQJ-HMSHQKHKSA-N 433.464 1.515 0 40 IDAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(=O)[nH]c1)CC1(CCOCC1)O2 19219340 WAUGMPAOECAASQ-QAPCUYQASA-N 425.485 1.991 0 40 IDAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)s1 19290310 OGKCPRBYGQEAEQ-UHFFFAOYSA-N 447.542 1.699 0 40 IDAB Cn1nccc1CN1CCC(c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 19744816 SMSOUFRMXTVVDK-UHFFFAOYSA-N 436.438 1.764 0 40 IDAB CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)N2CCn3c2nc2ccccc23)CC1 20573586 SDTDVCROTUNWEX-FQEVSTJZSA-N 432.528 1.951 0 40 IDAB CNC(=O)CSc1nnc(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)s1 23141707 CBLXKFVRIASQMW-HWKANZROSA-N 447.542 1.467 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c(=O)[nH]c1=O 33462981 NIJYQVTYLTYGFM-UHFFFAOYSA-N 430.411 1.890 0 40 IDAB O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)[C@@H](C(=O)NC3CCCC3)[C@]23C=C[C@H]1O3 33940047 NJLJHIDQRZZBGL-VCFUNXJFSA-N 441.553 1.736 0 40 IDAB O=C(c1ccsc1)N1CCN(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 49027062 HMCSAPINJFVVPO-UHFFFAOYSA-N 437.543 1.256 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)cc1 57520672 GABCGUDFLYVOLI-UHFFFAOYSA-N 443.485 1.182 0 40 IDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc(Cn2cccnc2=O)c1 57997348 SFWOGLMCWSADDS-QUCCMNQESA-N 427.505 1.150 0 40 IDAB CN1C(=O)c2ccc(NC(=O)NCCS(=O)(=O)N3CCc4ccccc43)cc2C1=O 58161482 FAJSGDYKOVCDGF-UHFFFAOYSA-N 428.470 1.426 0 40 IDAB Cc1nc(Cn2ncc3ccccc3c2=O)cc(NCCS(=O)(=O)N2CCCCC2)n1 72373299 GNNBUDMZIWZLSO-UHFFFAOYSA-N 442.545 1.771 0 40 IDAB Cn1cc(C(=O)N2CCC(c3nc4c(c(=O)[nH]3)CN(Cc3ccc(O)cc3)CC4)CC2)cn1 72398966 NFLLFUOHBPTZPR-UHFFFAOYSA-N 448.527 1.787 0 40 IDAB CCCCC[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(=O)O 95989703 WWTDHCKIYFCWPN-OAHLLOKOSA-N 438.550 1.906 0 40 IDAB COc1ccc(CNc2ncc3c(=O)n(-c4ccc5c(c4)OCO5)c(=O)[nH]c3n2)c(OC)c1 102911765 QCEIOPAXMLPYSX-UHFFFAOYSA-N 449.423 1.827 0 40 IDAB COCCn1c(S)nc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)ccc2c1=O 103963123 DZGNTJAGPBJFOT-UHFFFAOYSA-N 442.497 1.523 0 40 IDAB O=C(O)C12C3(Cl)[C@@]4(Cl)C5(Cl)C(O)(O)C(Cl)([C@@]14Cl)[C@@]2(Cl)[C@]53Cl 104078506 XTWBNKWREPGTEI-WCTKRSPPSA-N 435.301 1.650 0 40 IDAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 197917542 SPBMJJYWQZRUJD-MRXNPFEDSA-N 430.578 1.964 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3cnn(C[C@H]4COc5ccccc5O4)c3)cc21 206848100 FJRJQFOVIAZTRK-AWEZNQCLSA-N 442.453 1.969 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3cccc(OC)c3)no2)ccc1OC 223904420 IDHJDOYDMGKXQA-UHFFFAOYSA-N 432.458 1.592 0 40 IDAB CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1[C@@H](c2ccccc2)C[C@@]2(C)[C@@H](O)[C@@H](O)CCC[C@@H]12 257225599 FGXRYYIPJGATJK-NLSRWQAPSA-N 431.577 1.729 0 40 IDAB CN1c2ccccc2N(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)S1(=O)=O 390826422 KSHJWXRXRBIKFV-CQSZACIVSA-N 432.477 1.496 0 40 IDAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nnnn1-c1ccccc1 522351652 UUCRGPGUADCZBH-OAHLLOKOSA-N 442.501 1.174 0 40 IDAB COc1ccc(Cn2nc3n(c(=O)c2=O)CC2(CCN(C(=O)C4(F)CCC4)CC2)C3)cc1 585105974 SQFWDOGWWVDPGK-UHFFFAOYSA-N 442.491 1.519 0 40 IDAB Cn1nccc1/C=C/C(=O)N1CCOc2ccccc2CCCOC[C@@H](O)[C@@H](O)CC1 1614485299 MGKYMDYOMOJYAD-FIKIWUFISA-N 429.517 1.416 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)cc1C(N)=O 1888899256 ZOHCQZJIEIWTSU-GJZGRUSLSA-N 443.529 1.218 0 40 IDAB O=C(C(=O)N1CCC2(CC1)OCCO2)c1cn(CC(=O)N2CCCC2)c2ccccc12 4271997 BYZDQQGKLDRBMR-UHFFFAOYSA-N 425.485 1.812 0 40 IDAB Cn1c(=O)n(CCCO)c(=O)c2c1nc1n2CCCN1c1ccc(Br)cc1 8706324 MPHNQUBTFLFZIA-UHFFFAOYSA-N 434.294 1.583 0 40 IDAB C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)c1c[nH]c2ccccc12 8708515 AFESBGMMKMKSJM-QWHCGFSZSA-N 431.470 1.448 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 8987069 JKRXVSLMUSAUSQ-AOMKIAJQSA-N 425.441 1.418 0 40 IDAB Cc1c(C)c2ccc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O 9186973 CDDQCWPMMZQCGS-UHFFFAOYSA-N 430.482 1.795 0 40 IDAB CN(c1ccc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1)S(C)(=O)=O 9762610 CXJGXBJJVODSOD-OAQYLSRUSA-N 443.481 1.495 0 40 IDAB CN(C)CCCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21 12233351 UYVCSOQYQAEFFQ-OAHLLOKOSA-N 430.509 1.826 0 40 IDAB O=C(NCCC(=O)N1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 12322708 HKZBSNCCALOJBD-OAHLLOKOSA-N 427.954 1.869 0 40 IDAB COc1ccc(Cn2nnnc2SCC(=O)NC(=O)[C@H]2COc3ccccc3O2)cc1 12798164 WQCDFHDDBCKVDO-QGZVFWFLSA-N 441.469 1.305 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)NC(=O)N[C@@H]1C 13112295 JPMWVDHIXDOVGK-HIFRSBDPSA-N 429.473 1.664 0 40 IDAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(=O)OC)c1=O 13992311 YLPFIPDXULVGAI-UHFFFAOYSA-N 425.441 1.625 0 40 IDAB Nc1c(C(=O)NC2CC2)c2nc3ccccc3nc2n1Cc1ccc(S(N)(=O)=O)cc1 16778249 OBEPWTBNXOLKLC-UHFFFAOYSA-N 436.497 1.755 0 40 IDAB COC(=O)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1 16807352 NAQQXSVRXUVKTA-MRXNPFEDSA-N 427.457 1.654 0 40 IDAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)N[C@H](c1ccccc1)c1cccs1 22920095 GNAJRYCDMFBJJX-GHTZIAJQSA-N 433.599 1.758 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NC3CCN(S(C)(=O)=O)CC3)CCCC2)c1 29825408 AHUKUQRBYZJRTA-UHFFFAOYSA-N 442.603 1.930 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)NCc3nc4ccccc4s3)c2)CCN1 32755005 NIVXFSFRWCYRMB-UHFFFAOYSA-N 430.511 1.347 0 40 IDAB COCCOc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1C 48302524 YCSDRSPRPSDMBC-UHFFFAOYSA-N 433.530 1.998 0 40 IDAB O=C(NCc1cc(F)ccc1Br)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 59799048 ZEOBBKPZXBILPT-LBPRGKRZSA-N 446.298 1.370 0 40 IDAB COc1ccccc1-n1c(O)nc2nc(N3CCN(c4ncccn4)CC3)ncc2c1=O 67264321 ZPMOUOBXAZGJCD-UHFFFAOYSA-N 432.444 1.007 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NC[C@@H]1COCCO1 72327683 DTWHLEULIXIYGH-QVKFZJNVSA-N 436.892 1.588 0 40 IDAB CCn1cc(C(=O)C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cn1 89305711 UMSGZBQMOUPJCO-UHFFFAOYSA-N 445.328 1.926 0 40 IDAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](CCSC)NC(N)=O)CC1 89396273 VNIPERSPTHLMEW-JKSUJKDBSA-N 442.969 1.488 0 40 IDAB O=C(NCCN1CCOCC1)[C@@H]1C[C@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 96144495 SJUCXFVEAOAIRX-WIOPSUGQSA-N 435.524 1.822 0 40 IDAB O=C(O)C12C3(Cl)[C@]4(Cl)C5(Cl)C(O)(O)C(Cl)([C@]1(Cl)[C@]53Cl)[C@]24Cl 104078511 XTWBNKWREPGTEI-LIRVHSTGSA-N 435.301 1.650 0 40 IDAB CC1=C(C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)N(c2ccccc2Cl)CO1 145143566 OSIDWIDMHJFBPU-HACGYAERSA-N 437.905 1.997 0 40 IDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCSc2nc(C)n[nH]2)c(C)c1 222790258 BUFRSPPFBJNIER-UHFFFAOYSA-N 427.552 1.397 0 40 IDAB COc1ccc(CNC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 223535939 PFFDALUODOMUNZ-UHFFFAOYSA-N 448.541 1.974 0 40 IDAB CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2c(c1)OCCO2 224837532 CISVNGFEQQNSOR-UHFFFAOYSA-N 435.454 1.987 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCSc2ncn[nH]2)CC1 226081227 BTFJMJFLBLPNPG-UHFFFAOYSA-N 439.563 1.431 0 40 IDAB O=C(NCCN1Cc2ccccc2OCC1=O)[C@@H]1CC(=O)N(CCc2cccs2)C1 238832165 GEDBTHIRYVKSRL-QGZVFWFLSA-N 427.526 1.677 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)CC2)Nc2ccccc21 253615544 OLAMMIFXFAGJMT-DPSWKAHMSA-N 440.544 1.704 0 40 IDAB Cc1nccn1CCC1CCN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1 585290751 DRCXDXDUUQNECO-YADHBBJMSA-N 448.589 1.090 0 40 IDAB COCC(=O)N1CCCN(C)CCN(C(=O)c2ccc(=O)n(C)c2)Cc2ccccc21 643554211 CPHHEPNRPAMRLY-UHFFFAOYSA-N 426.517 1.343 0 40 IDAB Cc1n[nH]cc1CN1C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)OCCCCCCOc2cccc1c2 2037972604 GDGMSFGYFWBDEC-SSGKUCQKSA-N 449.548 1.138 0 40 IDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C2CC2)cc1 1333428 ADQHVVYEZVRABW-UHFFFAOYSA-N 437.543 1.729 0 40 IDAB CCCCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 2661093 AULJAKJFNVJZJU-UHFFFAOYSA-N 428.514 1.817 0 40 IDAB COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(Cl)cc2)c(=O)c3=O)cc1 8849311 XRBJXOSCNRJKHY-UHFFFAOYSA-N 427.848 1.857 0 40 IDAB CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC1CC1 9410134 QKWNQVKCWSOULY-SFHVURJKSA-N 439.603 1.604 0 40 IDAB CCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc12 9519906 UCZSTRCNVXWRFI-HZPDHXFCSA-N 435.546 1.577 0 40 IDAB COc1ccccc1OCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1 11796076 PTQRNYXZSJNSOR-UHFFFAOYSA-N 447.557 1.732 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1 12408865 BXDKMWGSRIVBTJ-HNNXBMFYSA-N 429.502 1.422 0 40 IDAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 12554365 DSRKOOVXMUXAGD-CQSZACIVSA-N 448.520 1.825 0 40 IDAB CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C2=COCCO2)c(=O)[nH]c1=O 12882618 HTFNACBGQLJRAP-UHFFFAOYSA-N 430.461 1.349 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O[C@H](C)C(=O)N2CCOCC2)C(C)C)cc1C 12908707 ZHXVOTQWBQYHQA-SJLPKXTDSA-N 426.535 1.397 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@H](C)C(=O)N2CCOCC2)C(C)C)cc1C 12908712 ZHXVOTQWBQYHQA-AEFFLSMTSA-N 426.535 1.397 0 40 IDAB CN(C(=O)COC(=O)c1ccc(Cl)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12932756 PSWYMASMJLLLAM-UHFFFAOYSA-N 448.888 1.702 0 40 IDAB O=C(NCCCN1CCCC1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 12973314 MSZQLVXNUNCJEP-UHFFFAOYSA-N 429.926 1.103 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc1 13164590 UVQUEMJCVBPHJE-OAQYLSRUSA-N 444.513 1.525 0 40 IDAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1OC 13723367 DNLYTXHSCBVJIC-UHFFFAOYSA-N 440.499 1.961 0 40 IDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc2c(c1)OCCCO2 15752837 ISTAFHLDULEBLG-ZDUSSCGKSA-N 444.465 1.701 0 40 IDAB COc1ccccc1Nc1nc(N)nc(COC(=O)C2CCN(C(=O)C3CC3)CC2)n1 16670859 PBWZNVKCRINDOF-UHFFFAOYSA-N 426.477 1.898 0 40 IDAB Cc1ccc(C2(CN3CCC(NS(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 19208398 JHGRWYSSIAUNJF-LJQANCHMSA-N 426.604 1.598 0 40 IDAB O=C(Cn1cccn1)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702258 ZAGOJVKGOGQKEA-OAHLLOKOSA-N 425.514 1.981 0 40 IDAB Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)C3)c(=O)n1 19744326 NQPHQIBYFSGVDI-GOSISDBHSA-N 438.532 1.867 0 40 IDAB Cc1nc([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)ncc1C(=O)N1CCCCC1 19763267 OFFNBSYBGLGTNX-QGZVFWFLSA-N 437.566 1.168 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 22401468 TZMIXODUSIXDQS-LJQANCHMSA-N 433.486 1.698 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)cc1 23186807 RHUPJUVTQBCYDU-SFHVURJKSA-N 443.591 1.078 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3c(=O)oc4ccccc43)CC2)cc1 25426984 GNBUURPUVGAFRL-UHFFFAOYSA-N 445.497 1.735 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3CC)c1 29519681 ASIHAMNMCOAXGN-UHFFFAOYSA-N 445.501 1.388 0 40 IDAB CN(CC(=O)N[C@H]1CCCc2c1cnn2C)S(=O)(=O)c1ccc2c(c1)OCCCO2 31593851 BSEFPGKQZJMICX-INIZCTEOSA-N 434.518 1.396 0 40 IDAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)NC1c2ccccc2-c2ccccc21 32857848 NXDBQMATDMZYSS-QGZVFWFLSA-N 425.554 1.677 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3OCC(N)=O)C2=O)o1 34868893 RNJOAKNAHAYUFB-QPEQYQDCSA-N 433.804 1.677 0 40 IDAB CC(C)[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C(=O)NC(N)=O 40159029 FXMJCXSTBQOZIH-AWEZNQCLSA-N 431.898 1.501 0 40 IDAB COc1ccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccccc2)c(OC)c1 44792400 NJEOHAXTANJRBE-UHFFFAOYSA-N 433.530 1.673 0 40 IDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCCN(C(=O)c2ccc[nH]c2=O)CC1 58110609 HHOSRKHNHXEFIU-UHFFFAOYSA-N 444.875 1.128 0 40 IDAB O=C(c1ccc(-n2cnnc2)cc1)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338918 XFUSBDQJAWLYJL-FQEVSTJZSA-N 438.513 1.850 0 40 IDAB Cc1c(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)nnn1-c1cccc2cnccc12 79094301 KGORVHKPFUEUHH-RDJZCZTQSA-N 428.518 1.572 0 40 IDAB CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](n3cc(C(=O)O)cn3)C2)cc1 95982557 MMNAZLLLEPCOQG-PYUISTEWSA-N 432.502 1.709 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2c2cc3nc4c(c(O)n3n2)CCCC4)CC1 100139298 QMNMJYRHFOEMDA-SFHVURJKSA-N 447.561 1.649 0 40 IDAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc(C)c2)CC1=O 138536891 OIEXXWLMGGZKCS-HNNXBMFYSA-N 425.441 1.679 0 40 IDAB O=C(NCc1nc(-c2cccs2)no1)c1cccc(S(=O)(=O)N2CCOCC2)c1 219992491 UYHLPLYXWRIXLB-UHFFFAOYSA-N 434.499 1.749 0 40 IDAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224301314 PGXZSQYWUHTTQC-UHFFFAOYSA-N 440.543 1.837 0 40 IDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1 225970122 FXAJJMGNNNGCPK-UHFFFAOYSA-N 445.950 1.728 0 40 IDAB O=C1CCCN1CCCOc1ccc(CNC[C@]2(O)CCCN(c3ncccn3)C2)cc1 257228380 FTOURYDLFZORCM-XMMPIXPASA-N 439.560 1.989 0 40 IDAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)[C@@H]2Cc4ccccc4O2)C3)n1 306125057 CFYIUKHOEFMEOS-AEFFLSMTSA-N 429.498 1.183 0 40 IDAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)c1 408660781 VHSLPNYLCJESIR-INIZCTEOSA-N 425.441 1.679 0 40 IDAB CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@]12C(=O)N(CC(=O)OC)c1ccccc12 989145 PEGFJDKLWROZEH-JOCHJYFZSA-N 444.440 1.045 0 40 IDAB biogenic O=C(OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 2765715 WTTRUBICDWFROZ-HBFSDRIKSA-N 436.420 1.907 0 40 IDAB CC(C)C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCC[C@@H]1C(N)=O 4375667 NQZYVZPEQQKCLY-ARFHVFGLSA-N 426.558 1.543 0 40 IDAB CCN(CC)CCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C)C(=O)NCc1ccccc1 6511810 VLNOBGSXNIAZDZ-CQSZACIVSA-N 446.577 1.313 0 40 IDAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21 9001514 MFQDQTOJZZLEOG-UHFFFAOYSA-N 431.452 1.957 0 40 IDAB O=C(CSc1nnnn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)C1 9427187 YADINRRDBJGMGG-UHFFFAOYSA-N 430.515 1.245 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3cccc(F)c3)C2)cc1 9486697 ZRDKISXZFSECOK-OAHLLOKOSA-N 449.504 1.990 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 9664184 DAGOOQDDVGEQNS-AWEZNQCLSA-N 429.545 1.577 0 40 IDAB CCSc1nnc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)s1 10216387 VILYJFVNGAEEFN-UHFFFAOYSA-N 438.560 1.635 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)N3CCCC3)CC2)c1 10263280 CTTHNGSPNBKQPE-INIZCTEOSA-N 436.530 1.844 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2N2CCCC2)CC1 12636788 AOGSQCQFZZDVGK-UHFFFAOYSA-N 447.561 1.837 0 40 IDAB COCCCn1c(S[C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n[nH]c1=O 12825059 CMJYKMNWLFYNDB-LLVKDONJSA-N 437.478 1.208 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NCc1ccccc1 12928110 RKRMUUXRDWDUNS-UHFFFAOYSA-N 448.520 1.548 0 40 IDAB O=S(=O)(c1cccc(F)c1)N1CCN(Cn2nnn(-c3ccccc3)c2=S)CC1 13069266 ZQKUEIMPHCOFKG-UHFFFAOYSA-N 434.522 1.901 0 40 IDAB CCN1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C(C)(C)C)CC1 19973378 BODHQKZWRCTZIK-LJQANCHMSA-N 439.520 1.725 0 40 IDAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 21847837 AJEFRKXBPKDVAQ-HNNXBMFYSA-N 446.529 1.208 0 40 IDAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 23242928 LKBBZGLHTKCORT-UHFFFAOYSA-N 443.569 1.974 0 40 IDAB O=C(CCN1CCC(NS(=O)(=O)c2ccccc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 25051020 IUEOUOHUZYYRJK-UHFFFAOYSA-N 443.529 1.628 0 40 IDAB COc1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1OC 44849808 HDRCUKNRBJWAMV-UHFFFAOYSA-N 425.482 1.772 0 40 IDAB O=C(NCCNS(=O)(=O)CCOc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 70637838 CDSALUQEPATTFR-UHFFFAOYSA-N 449.504 1.902 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3nnc4ccccn34)CC2)cc1 72404083 XSMPLMAMLHBICH-UHFFFAOYSA-N 443.529 1.594 0 40 IDAB COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)CC2=O)cc1 77101280 VOWCCHYGAWOLLM-QGZVFWFLSA-N 447.495 1.680 0 40 IDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)C1 95349205 SAKXMESJAUPEBZ-VAMGGRTRSA-N 428.581 1.342 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H](c1ccccc1)n1cnnn1 95473298 GHQLHODCTKFCCE-FQEVSTJZSA-N 440.529 1.406 0 40 IDAB O=C([C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3)CC2)O1)N1CCCC1 96263173 KDLYPYVUFRXOTK-SFHVURJKSA-N 430.530 1.584 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 225847366 NQHFXVOQFGZJMN-UHFFFAOYSA-N 449.529 1.866 0 40 IDAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N1CCC(C(N)=O)CC1 408536369 ZCOYROLWWXISFU-UHFFFAOYSA-N 445.541 1.576 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408658606 LICGRMZSHANAME-SIZUQEQISA-N 427.457 1.546 0 40 IDAB C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1)c1ccccc1 408996827 AVRLLPAOQBZVCB-INIZCTEOSA-N 426.473 1.023 0 40 IDAB COCCNC(=O)[C@H]1C[C@@H](NCc2ccc(OC)cc2)[C@H](c2cnc(C(C)C)[nH]2)[C@@H]1O 2332241910 HEZTWQNUQXZTSG-UYWIDEMCSA-N 430.549 1.927 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc2)C[C@H](C)O1 8849464 FLJSZZVMVHHJJZ-RYUDHWBXSA-N 439.515 1.820 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccc(F)cc1 9477235 FABFWRPBJOPIJF-IAGOWNOFSA-N 426.452 1.144 0 40 IDAB COc1cccc(-n2ccnc2SCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 9512287 HLWFGAGVVLTBHT-UHFFFAOYSA-N 432.527 1.937 0 40 IDAB CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[nH]c1=O 9660396 YROQNDNBJMDUSN-UHFFFAOYSA-N 444.517 1.637 0 40 IDAB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Sc1ccccc1 9974835 VADVOLSTRCVERX-UHZRXMQZSA-N 439.486 1.435 0 40 IDAB CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 10758762 PWNPOCVHPZOWTR-UHFFFAOYSA-N 426.516 1.376 0 40 IDAB CCOC(=O)[C@@H](NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)C(C)C 12085667 QOTWJSUCPZQIEC-SIKLNZKXSA-N 431.489 1.222 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)cc1 12903326 XSVAGVHXUQEQQG-UHFFFAOYSA-N 426.502 1.182 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1C(N)=O 12928379 LELFIURPNODXGR-UHFFFAOYSA-N 444.435 1.290 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)N1CCN(c2ncccn2)CC1 14251192 XUGWNBBFEUPOMK-QHCPKHFHSA-N 434.500 1.299 0 40 IDAB Cn1c(=O)c2ccccc2n2c(SCC(=O)NC(=O)NCCc3cccs3)nnc12 16323028 PHWYUPKCRAHNSA-UHFFFAOYSA-N 442.526 1.803 0 40 IDAB CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 16916760 PTGOTQXZDNSYLD-UHFFFAOYSA-N 448.523 1.890 0 40 IDAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 17101402 ZSPPQVSLUBRWIJ-UHFFFAOYSA-N 437.499 1.655 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)[nH]c2=O)C1 19572957 VDSGOKDQAMAXBY-KRWDZBQOSA-N 434.493 1.133 0 40 IDAB Cc1cnc(C(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ccccc34)C2)cn1 19697668 GLTBARNWUVGJID-MRXNPFEDSA-N 426.498 1.936 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 21010505 PTCNFQWSRYLQKA-INIZCTEOSA-N 427.548 1.389 0 40 IDAB Cc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 22228690 IPFAXGLPEDVICA-UHFFFAOYSA-N 431.514 1.579 0 40 IDAB O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCN(c2nccs2)CC1 22699669 KULXBXMCLFVFLH-MRXNPFEDSA-N 436.559 1.563 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3ccccc3)CC2)cc1 22732986 PPVOCBSVOJZRGG-UHFFFAOYSA-N 433.530 1.197 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)CCN1 24772040 PEBMWMGXLRROBQ-UHFFFAOYSA-N 426.498 1.261 0 40 IDAB CCOC(=O)C1=C(CN2CCC[C@@H]2C(=O)NCc2ccco2)NC(=O)N[C@@H]1c1ccco1 27143539 KKZZSMQOEQDIOB-VQIMIIECSA-N 442.472 1.825 0 40 IDAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)C1 30867854 XRLZFFGOGOSEFX-IAGOWNOFSA-N 428.574 1.923 0 40 IDAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)cc2)c1C 35898073 DQYDSTRAERNLKZ-UGUYLWEFSA-N 435.458 1.909 0 40 IDAB COc1ccc(-n2cnc3cc(C(=O)N[C@@H]4CCS(=O)(=O)C4)ccc3c2=O)cc1Cl 36354176 CCXZQBVCAZOLDC-CYBMUJFWSA-N 447.900 1.965 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 40135029 MEAFHORBUANOLL-MRXNPFEDSA-N 442.563 1.893 0 40 IDAB CC(C)c1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 40145416 XURSNCAYEFDFAW-OAHLLOKOSA-N 449.529 1.802 0 40 IDAB COc1ccccc1N1CCN(C(=O)Cn2ccn(-c3ccccc3C)c(=O)c2=O)CC1 67320574 KXXZAWUCHULRHD-UHFFFAOYSA-N 434.496 1.665 0 40 IDAB CN1Cc2ccccc2C[C@H]1C(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325742 YBJXMBJBITYTSW-IBGZPJMESA-N 426.542 1.766 0 40 IDAB CC(=O)c1ccc2c(c1)CCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)CC2 89593966 STNZYUFXZOYQNU-HXUWFJFHSA-N 444.557 1.793 0 40 IDAB Cc1cc(C(=O)NC[C@H]2COC3(CCOCC3)O2)ccc1NS(=O)(=O)C(F)(F)F 95992250 FNXVTQYZKHXJCD-ZDUSSCGKSA-N 438.424 1.908 0 40 IDAB CNC(=O)CN1Cc2c(C(=O)N3CCCC[C@H]3C)ncn2-c2ccccc2S1(=O)=O 96147491 BZXAOSLQBFIKJA-CQSZACIVSA-N 431.518 1.137 0 40 IDAB COC(=O)C[C@H](c1c(O)cc(C)n(CC(=O)O)c1=O)c1cc2cccc3c2n(c1=O)CC3 96222389 GTQPMSDGOVKWQT-HNNXBMFYSA-N 438.436 1.513 0 40 IDAB biogenic Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc3nsnc3c2)CC1 238873255 NKLMDQCLVCDKRD-UHFFFAOYSA-N 434.547 1.578 0 40 IDAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)CN(C)[C@H]3CCS(=O)(=O)C3)C2)on1 247948213 BMIGOQSGJOKASK-KGLIPLIRSA-N 439.563 1.326 0 40 IDAB O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1C[C@@H](O)[C@H](n2cc(F)c(O)nc2=O)C1 257235388 GXPYSAHUMSYDAZ-VXGBXAGGSA-N 427.314 1.041 0 40 IDAB Cc1cnn(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)c1 257273325 NGCWIHIHIZNUHG-UNMCSNQZSA-N 439.560 1.652 0 40 IDAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3nccs3)C[C@H]2N1Cc1ccccn1 306137270 QRJBHEBASGBNDM-CVEARBPZSA-N 429.527 1.769 0 40 IDAB CCCN1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3ccccc3C(=O)N2)CC[C@@H]1O 514287633 SBGBMTMWLSHBOK-HKWIXDGRSA-N 431.533 1.077 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)c1 560780301 HYSREVIQVDEFMR-UHFFFAOYSA-N 437.543 1.010 0 40 IDAB O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccc(C(F)(F)F)cc2)C1 585283060 BGJRNYQIWPPBDL-RBUKOAKNSA-N 444.475 1.982 0 40 IDAB CC(=O)N1CCN(Cc2ncc[nH]2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)C1 643913487 ZPYGDOKPWLZWJJ-KCZVDYSFSA-N 440.585 1.024 0 40 IDAB CN(Cc1ccc(OCCOCCO)cc1)C[C@]1(O)CCN(c2cncnc2N(C)C)C1 2037916447 QUAFLQWIGNXFJR-HSZRJFAPSA-N 445.564 1.004 0 40 IDAB Cc1ccccc1OC[C@H](O)Cn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 625748 FNJYRRDEWRADDA-MRXNPFEDSA-N 427.505 1.916 0 40 IDAB CCOC(=O)CN1C(=O)[C@]2(C(C(=O)OCC)=C(C)OC(N)=C2C(=O)OC)c2ccccc21 2373707 ALPTWAQSJPZMST-QFIPXVFZSA-N 444.440 1.045 0 40 IDAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O 2448812 WWYXQYASDFTHRC-MRXNPFEDSA-N 428.372 1.707 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)NC(N)=O)n2CC 6153637 NTHGSGWJOLZTJE-LLVKDONJSA-N 427.552 1.762 0 40 IDAB Cc1ccc(N2CCn3c2nn(CC(=O)N2CCN(c4ccccc4)CC2)c(=O)c3=O)cc1 8849613 QQHSGCOILNGFLM-UHFFFAOYSA-N 446.511 1.214 0 40 IDAB CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCC(O)CC2)s1 8912349 MOZUHHDNHDXTAF-UHFFFAOYSA-N 436.964 1.994 0 40 IDAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8954656 PCDRKGFSBLJFMY-UHFFFAOYSA-N 442.497 1.718 0 40 IDAB COC(=O)[C@@](NC(C)=O)(Nc1nc2ccc(S(C)(=O)=O)cc2s1)C(F)(F)F 8974582 HWCLMJPDYGVVLV-CYBMUJFWSA-N 425.410 1.679 0 40 IDAB CCCCCCc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)O)cc2oc1=O 9033553 XPDUHNYQIWFVKY-UHFFFAOYSA-N 432.473 1.920 0 40 IDAB biogenic Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 9206038 KIDSALSHMLWDIW-SFHVURJKSA-N 434.518 1.920 0 40 IDAB CN(CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)Cc1ccc(Cl)cc1 9507241 MUIDIDUEIYHZDH-UHFFFAOYSA-N 441.919 1.915 0 40 IDAB O=C([C@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9516134 UJDKPIAGUWPAQN-OAQYLSRUSA-N 444.509 1.685 0 40 IDAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)NC[C@H]1CCCO1 9519719 GUWCVYFXJZOAMG-QGZVFWFLSA-N 447.557 1.723 0 40 IDAB CC(C)NC(=O)NC(=O)COC(=O)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C 9742374 NELFXPNIJPQZFA-SXSDINLZSA-N 425.507 1.379 0 40 IDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 10027540 IECXLWCXILYQGD-UHFFFAOYSA-N 425.513 1.908 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 12781377 CRUPPNNBJYYYPF-UHFFFAOYSA-N 436.534 1.925 0 40 IDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 12905307 HYUCDGDQAOIPMG-MGPUTAFESA-N 432.498 1.552 0 40 IDAB O=C(c1ccccc1)N1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 13119928 DCRMAZQIEYXLMF-FQEVSTJZSA-N 433.574 1.403 0 40 IDAB C[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 13296291 ILHARJDHIPSJBM-AAEUAGOBSA-N 435.506 1.739 0 40 IDAB COc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 17969005 JPILSYHKHYFEQY-UHFFFAOYSA-N 447.513 1.427 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCN(C(=O)CCc4ccccc4)C3)[nH]c(=O)c2C1 19520426 PBDGLMCZSYNMSX-KRWDZBQOSA-N 444.557 1.426 0 40 IDAB NC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)COCCN2CCCC2=O)CCO1 19697918 OKYUTDCJUKMYSM-OAHLLOKOSA-N 431.514 1.539 0 40 IDAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c32)c1 22610496 TYCIDWYQZLIQRZ-HNNXBMFYSA-N 438.488 1.153 0 40 IDAB COc1cn(CC(=O)NCc2ccccc2Cl)c(CN2CCN(C(C)=O)CC2)cc1=O 22698584 XEVAHDHSMSIBIO-UHFFFAOYSA-N 446.935 1.491 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 23053935 IZJXHPYEZQWZJC-MRXNPFEDSA-N 431.514 1.971 0 40 IDAB COc1cc(/C=C/C(=O)OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc(OC)c1 23673258 ZRFJPGUEBBUOJB-VOTSOKGWSA-N 431.445 1.546 0 40 IDAB O=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23994796 DHWMSDCWADBCEY-RBUKOAKNSA-N 441.553 1.524 0 40 IDAB COc1ccc([C@@H](CNC(=O)c2cc3c([nH]c2=O)CCCC3=O)N2CCOCC2)cc1 29881642 VKSKRXIEELBZDA-HXUWFJFHSA-N 425.485 1.706 0 40 IDAB O=C([C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)c2ccccc2O1)N1CCOCC1 32788197 ZIBOWBLPGMNLGQ-OAQYLSRUSA-N 434.452 1.050 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 40119096 PUWVFJMGEISUTD-UHFFFAOYSA-N 433.552 1.366 0 40 IDAB O=C(CN1CCC[C@H](C(=O)Nc2ccccn2)C1)NC(=O)Nc1ccc2c(c1)OCO2 40149566 SKDWMJANEMIUMJ-AWEZNQCLSA-N 425.445 1.809 0 40 IDAB COc1cccc(-c2ccc(=O)n(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2)c1 44903752 PTAMTNIUPITWAE-KRWDZBQOSA-N 433.530 1.591 0 40 IDAB O=C(Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O)Nc1ccc(Cl)c(Cl)c1 49409363 ROIZLEYFXORXDE-UHFFFAOYSA-N 446.312 1.815 0 40 IDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)C[C@H]3SC(=O)N(C)C3=O)CC2)n1 72337133 LNYMYYKVGVCAPJ-OAHLLOKOSA-N 433.534 1.412 0 40 IDAB COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](CCSC)NC(N)=O)CC1 89396270 VNIPERSPTHLMEW-CVEARBPZSA-N 442.969 1.488 0 40 IDAB COC(=O)C1(NC(=O)CN2C(=O)N[C@@](C)(CCc3ccc(OC)cc3)C2=O)CCCCC1 89914314 TVTMCTOVMGWYMR-QFIPXVFZSA-N 445.516 1.930 0 40 IDAB CCOc1ccc(Cc2cc([C@@]34OC[C@@](CO)(O3)[C@H](O)[C@H](O)[C@@H]4O)ccc2Cl)cc1 255987057 MCIACXAZCBVDEE-MLBCHFTJSA-N 436.888 1.357 0 40 IDAB Cc1cc2nc(C)n(CC(=O)N3C[C@@H](O)[C@H](n4ccc5c(C(N)=O)ccnc54)C3)c2cc1C 257227006 FNFCHXCJXIKKTN-NHCUHLMSSA-N 446.511 1.855 0 40 IDAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 409251587 AMGNPRCVBMUMFW-UHFFFAOYSA-N 425.532 1.594 0 40 IDAB CC(=O)N[C@H]1C[C@H]2CN(Cc3ccc(F)c(Cl)c3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332241991 GTHKTRZPFJCPAE-BXWFABGCSA-N 436.915 1.295 0 40 IDAB CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 1266521 IRBUKOYEHQIQRN-UHFFFAOYSA-N 446.895 1.404 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccccc2)cc1 9576330 NZQIMWYVKBCZPG-IBGZPJMESA-N 431.514 1.165 0 40 IDAB O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1)OC[C@H]1CCCO1 12136982 QWXHNNIUOHBGEZ-CABCVRRESA-N 439.921 1.267 0 40 IDAB Cc1[nH]c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc1Cc1ccccc1 12547983 YBCROAXOZFGKHZ-GOSISDBHSA-N 448.614 1.732 0 40 IDAB Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NC[C@@H]2CCCO2)c1 12715887 XFTHKQFQGUFWMT-JSGCOSHPSA-N 431.518 1.463 0 40 IDAB Cc1ccc(C(=O)N[C@H](C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 12751210 PKFOFVFWSVYDIE-NXHRZFHOSA-N 438.546 1.327 0 40 IDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 13164558 CPIJWVVYDPLENR-UXHICEINSA-N 427.526 1.119 0 40 IDAB COCCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc2c1=O 13598123 LJFKYOLPZLZZJO-UHFFFAOYSA-N 425.470 1.943 0 40 IDAB CC(C)c1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCOC2)CC1 19451701 ZUOKFSACZVFTCK-KRWDZBQOSA-N 445.545 1.531 0 40 IDAB CNc1nc([C@@H]2CCCCN2C(=O)COCCN2CCCC2=O)nc2c1CN(C)CC2 19710399 FFBFRLKRPRPPTD-SFHVURJKSA-N 430.553 1.199 0 40 IDAB CNC(=O)c1cnc([C@@H]2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)nc1C 19757468 PREUWFVLSCWNAD-CQSZACIVSA-N 434.493 1.464 0 40 IDAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c32)c(C)c1 22610533 DJKKNMCSYQJLJG-AWEZNQCLSA-N 438.488 1.153 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccncc3)CC2)cc1 23804950 FGJUSXTYENQZCU-UHFFFAOYSA-N 430.530 1.297 0 40 IDAB CCOC(=O)CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 25869827 YLRMWKLAUVEPMS-UHFFFAOYSA-N 441.550 1.836 0 40 IDAB Cc1cc(N2CCN(C(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)n2ncnc2n1 30585268 FTGZUSFTTIKJDZ-UHFFFAOYSA-N 446.515 1.498 0 40 IDAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 32957427 VVAMHQNBZJHTTG-FUHWJXTLSA-N 436.530 1.181 0 40 IDAB Cc1c(NC(=O)c2cccc(NC(=O)C3=NNC(=O)CC3)c2)c(=O)n(-c2ccccc2)n1C 32973894 KQORELJFFOYCFQ-UHFFFAOYSA-N 446.467 1.941 0 40 IDAB COc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCC3)c2=O)cc1OC 49409004 HHPXPMXAEGIWOJ-UHFFFAOYSA-N 435.502 1.679 0 40 IDAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 59118922 UZUQJUUYGXWYKP-OAHLLOKOSA-N 442.541 1.912 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@@H]([C@H]1CCOC1)N1CCCC1 65512478 WOFYIPXBAQBZOD-YJBOKZPZSA-N 440.566 1.568 0 40 IDAB O=C(NCC1CCN(c2cnccn2)CC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 70898809 SGBKKEKHWGLJHU-UHFFFAOYSA-N 436.516 1.965 0 40 IDAB Cc1ccc(S(=O)(=O)c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2N)cc1 71771781 XENLSDJYHRXESJ-UHFFFAOYSA-N 427.486 1.755 0 40 IDAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)S(=O)(=O)N(C)C)n1 72391862 WHGQQAKJDLGZEE-MRXNPFEDSA-N 432.550 1.273 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1 96099507 IGFSEULCKNGTQN-UHFFFAOYSA-N 440.543 1.750 0 40 IDAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(C(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)CC1)OC2=O 100814727 LHLRTIIKMVJLPU-KIHHCIJBSA-N 446.544 1.901 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCc2ccc3c(c2)OCCO3)cc1 224262150 BVJIJUSTJBDZLR-UHFFFAOYSA-N 434.514 1.836 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 225599988 NEQLOQHOLNORCX-UHFFFAOYSA-N 446.526 1.260 0 40 IDAB C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@H]1CCC2=O 514252357 FJAZVHYPASAQKM-JSZZTDKSSA-N 446.496 1.383 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccsc2)c(=O)n1CC(=O)N[C@H]1CCCC[C@H]1C 585145810 QAUOUUZICSCMTC-TVLLGNEVSA-N 434.583 1.839 0 40 IDAB CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCN(c2ncccn2)C1 585270792 BCEMROXZOHQBHN-HSZRJFAPSA-N 427.549 1.261 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)CCCN1Cc3ccccc3C1=O)[C@H](C(N)=O)C2 604405005 UDCZSPSHQDZCQG-IBGZPJMESA-N 437.496 1.879 0 40 IDAB biogenic CC(C)C[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NCC(=O)O 2120578 YUCMYBQLKQOQAJ-GOSISDBHSA-N 444.484 1.782 0 40 IDAB biogenic CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 2131759 YFYYUMMMSAYHTR-ROUUACIJSA-N 441.509 1.796 0 40 IDAB biogenic O=C(NCCC1=CCCCC1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 3027775 YNABVXCGEOWXDK-MRXNPFEDSA-N 441.575 1.608 0 40 IDAB CCN(C(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)[C@@H]1CCS(=O)(=O)C1 3376718 GGURNLJGYJSXSQ-YJYMSZOUSA-N 438.527 1.194 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](N2CCc3ccccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4043417 RTRYJIOTUZUULJ-LILSUDLASA-N 449.456 1.132 0 40 IDAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)NC(=O)c1cccn1C 8684963 RXFNLVWEBKVQJA-INIZCTEOSA-N 431.514 1.685 0 40 IDAB CSC[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)O 8970888 NOYPLWXKHCPAQM-DLBZAZTESA-N 427.482 1.818 0 40 IDAB biogenic Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 9119955 OHXDDYWXBFYDSS-UHFFFAOYSA-N 443.481 1.813 0 40 IDAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9646331 DFFTWHOOYUMFIW-LJQANCHMSA-N 442.479 1.480 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccco1 9747008 UKIGZXUIBHKPBF-CQSZACIVSA-N 425.532 1.707 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1 10374386 DRWMJECJEXEOTB-UHFFFAOYSA-N 437.518 1.211 0 40 IDAB COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1cccc(N2CCCC2=O)c1 11505041 XMIHXRLAZYWBGG-UHFFFAOYSA-N 425.441 1.734 0 40 IDAB O=c1ccc(-c2ccncc2)nn1CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 11746636 NTKJTXMOSJDORB-UHFFFAOYSA-N 428.470 1.445 0 40 IDAB CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCCC2)CC1 12554522 OQIQJGCQEDASOU-UHFFFAOYSA-N 436.578 1.588 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1CCC[C@@H]1C(N)=O 12802191 PHVXSDXKTMHYDF-QGZVFWFLSA-N 438.550 1.148 0 40 IDAB CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(=O)Nc2ccc(OC)cc2)cc1 12905028 HWIOZEBVKYBWHJ-UHFFFAOYSA-N 449.529 1.859 0 40 IDAB CC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)c1cccs1 14044500 QTYXVQXSJGZTNP-CQSZACIVSA-N 427.573 1.910 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(Cc3ccc4c(c3)CCO4)CC1)C2=O 14083869 XZSFQKFDUQHSMP-MZNJEOGPSA-N 440.544 1.766 0 40 IDAB C[C@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccc(F)c(F)c1F 14352070 KJTVLFXGPZXBFS-VIFPVBQESA-N 443.407 1.555 0 40 IDAB CCOc1ccccc1NC(=O)CSc1c(COC)cnc2c1c(=O)n(C)c(=O)n2C 15883770 GUGNEYJTGVNPEA-UHFFFAOYSA-N 444.513 1.908 0 40 IDAB COC(C)(C)C(=O)N1CC[C@H](c2ccnc3c(CN4CCC(C(N)=O)CC4)c(C)nn23)C1 19707537 KVWUIAAXSKQLOA-KRWDZBQOSA-N 442.564 1.476 0 40 IDAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)CNC(C)=O)nc32)c1 19744266 QZUSKLQTHVIJSE-LJQANCHMSA-N 437.500 1.683 0 40 IDAB Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 19767130 TYKJFTVMDOMYGI-LJQANCHMSA-N 445.545 1.429 0 40 IDAB O=S1(=O)CC[C@H](S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 19912224 DWBGNHXFMOZCJH-FQEVSTJZSA-N 434.583 1.911 0 40 IDAB Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c2c(C)nn(C)c2n1 25169770 FRBLMOZNWCYPGJ-UHFFFAOYSA-N 446.533 1.727 0 40 IDAB CC(=O)N(c1nn(CN2CCN(c3ccc(C(N)=O)cn3)CC2)c(=S)s1)C1CC1 32916175 XMLSEBABEHGAAD-UHFFFAOYSA-N 433.563 1.463 0 40 IDAB CC(=O)N[C@@H]1[C@@H](Oc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1OCC(=O)O 35057616 DVENRNKFWMZEEL-RGSFXNQGSA-N 443.452 1.879 0 40 IDAB CN1[C@@H](CCC(=O)N2CCC(O)CC2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1cccc(Cl)c1 35442575 SRRGKSIJZSKGGB-DWLFOUALSA-N 448.995 1.477 0 40 IDAB biogenic,in-vitro COC(=O)Cn1c(SCc2cc(=O)[nH]c3c2c(C)nn3C)nc2ccccc2c1=O 36612131 RDTXZJWRKJFBLB-UHFFFAOYSA-N 425.470 1.745 0 40 IDAB CN1CCN(C(=O)Cn2cc(NC(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)cn2)CC1 72273998 FGOJMAHEZULVQS-UHFFFAOYSA-N 447.883 1.285 0 40 IDAB COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)nc2ccccn2c1=O 96114161 PVGWXARWPLDWAJ-CYBMUJFWSA-N 449.419 1.708 0 40 IDAB biogenic COC(=O)[C@@H](CN1CCN(Cc2ccccc2)CC1)[C@](O)(c1nccn1C)C(F)(F)F 97003102 KWGYCQSTEKBKHR-XLIONFOSSA-N 440.466 1.777 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 100175258 BUQHFGFRUJETAR-GEYWLOKFSA-N 443.408 1.129 0 40 IDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@@H]1C 104727814 ZKJANBXPNILKEK-TXPKVOOTSA-N 438.546 1.948 0 40 IDAB CCC[C@]1(C(=O)OC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 169330428 YITHMDNOIAFBJL-WBYLCXCBSA-N 434.489 1.690 0 40 IDAB CCOc1ccc(N([C@@H](CC)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1 220675237 IZKIFCKXIXQKHO-IBGZPJMESA-N 427.567 1.468 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1OC 224565873 YDSCQMJKLXUQNA-UHFFFAOYSA-N 433.530 1.366 0 40 IDAB CCN1CCN(CC(=O)N(C)[C@@H]2CC[C@@](CNC(C)=O)(c3ccccc3)CC[C@H]2O)CC1 257205080 AXODBUFSKOWCJW-VDKIKQQVSA-N 444.620 1.460 0 40 IDAB CS(=O)(=O)N1C[C@H](C(=O)NC[C@H]2COc3ccccc3O2)Oc2ccc(Cl)cc21 260910171 XBLKHFGPSLHDDS-SCLBCKFNSA-N 438.889 1.823 0 40 IDAB Cc1ccccc1OCCNC(=O)[C@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CCN1C 585168378 HCNCIJDJSNDYAP-HXUWFJFHSA-N 448.527 1.732 0 40 IDAB CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CO1 1153326770 PDYBHGDQSGHXHH-SLFFLAALSA-N 439.597 1.426 0 40 IDAB CCn1c(=O)c(C(=O)CSc2nnc3ccccn23)c(N)n(Cc2ccccc2)c1=O 9170855 WCGCWKULFGVWTM-UHFFFAOYSA-N 436.497 1.678 0 40 IDAB O=S(=O)(c1ccc(S(=O)(=O)N(Cc2ccncc2)C2CC2)cc1)N1CCOCC1 9205113 XBDKVKXOIIHUOL-UHFFFAOYSA-N 437.543 1.456 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2)ccc1F 9577819 QQXANSBPTFGHPR-LJQANCHMSA-N 449.504 1.304 0 40 IDAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NC2CCCCC2)CS(=O)(=O)C3)cc1 10219748 GYHAHZAFZACGBR-UHFFFAOYSA-N 432.502 1.697 0 40 IDAB CCOC(=O)CN1C(=O)[C@]2(N[C@@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c2ccccc21 12413358 KSXPGDMDBZILQH-OJHRKZRYSA-N 433.464 1.589 0 40 IDAB Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)COc3ccccc3C)CC2)c1 12445079 ZRADTLYTFPQZKF-UHFFFAOYSA-N 431.558 1.950 0 40 IDAB COC(=O)C1CCN(C(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1 13676341 DVJFPAWKYPDOCJ-UHFFFAOYSA-N 433.324 1.627 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 16154224 NTKKWTBWMMGOPN-UHFFFAOYSA-N 426.516 1.825 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 16521466 OWBBGEXHBDJSGX-HNNXBMFYSA-N 428.514 1.999 0 40 IDAB O=C(C1CCC1)N1CCC(c2nc(O)c3c(n2)CCN(C(=O)C2CCOCC2)C3)CC1 19014456 TXBQEUPGZDSDGS-UHFFFAOYSA-N 428.533 2.000 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccccc3)[nH]c2=O)C1 19520458 NYDKREOECKQYRX-LJQANCHMSA-N 444.557 1.774 0 40 IDAB C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 19575410 PETSVBLVTKYGSC-OLZOCXBDSA-N 437.493 1.278 0 40 IDAB CCN(CC)S(=O)(=O)N1CCc2nc(N)c(C(=O)NCc3cccc(OC)c3)cc2C1 19700627 NRDLLNMDVGTKTQ-UHFFFAOYSA-N 447.561 1.547 0 40 IDAB O=C(CCn1nnn(-c2ccccc2)c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 24748615 OMWPTKIBESAAOO-UHFFFAOYSA-N 442.501 1.242 0 40 IDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 24764514 INGPLIJGZVDHDB-UHFFFAOYSA-N 431.580 1.350 0 40 IDAB O=C(CCNS(=O)(=O)c1cccnc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 25008978 TZRKOEVVKOLMCI-UHFFFAOYSA-N 438.456 1.013 0 40 IDAB CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)N(C)C 32933044 SKSQZPSETQUBPE-SJLPKXTDSA-N 425.551 1.377 0 40 IDAB C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35365991 XKLVJEDXEYQMDS-TVUBOINASA-N 432.480 1.434 0 40 IDAB CCOC(=O)N1CCC(NC(=O)C2CCN(c3nc4ncnc(O)c4s3)CC2)CC1 35461302 LNGPJRKPZYKKLD-UHFFFAOYSA-N 434.522 1.745 0 40 IDAB CONS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1 40106843 GYQDDYMBFLJWID-GJZGRUSLSA-N 434.518 1.465 0 40 IDAB C[C@@]1(Cn2ccc(-n3cccc3)c2-n2cccc2)[C@H](C(=O)O)N2C(=O)C[C@@H]2S1(=O)=O 48047558 ZEQXUNBCAARVKA-ABSDTBQOSA-N 428.470 1.268 0 40 IDAB Cc1c(C(=O)NCCN2CCS(=O)(=O)CC2)cnn1-c1ccc(C(F)(F)F)cn1 48236996 ZSRASTDHIPPTGN-UHFFFAOYSA-N 431.440 1.055 0 40 IDAB CC[C@H](C(=O)Nc1cnn(C[C@H](O)CN(C)OC)c1)n1nnc(-c2ccc(Cl)cc2)n1 95456512 CQBKTHVVZNIWPF-IAGOWNOFSA-N 448.915 1.634 0 40 IDAB O=C(NCC(=O)N1CCC[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1)c1ccccc1 95474259 HGUOPZQUHFUFBC-ROKPMTFOSA-N 427.545 1.809 0 40 IDAB CCc1cccc2c1NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 105378474 SQGPABFIJDWYSY-ZHQAUJEGSA-N 449.507 1.559 0 40 IDAB biogenic CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1 216306597 GGXDIJBFNCFHFF-QGZVFWFLSA-N 445.545 1.469 0 40 IDAB CCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 226649521 SCTSXRAQMFCZOR-DVSDUFGPSA-N 443.408 1.129 0 40 IDAB CN(CC(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CCCC3)[C@H]1CCS(=O)(=O)C1 247962637 FTBPCPHORBLBDC-KSSFIOAISA-N 447.561 1.096 0 40 IDAB CCn1ccc(C(=O)N2CCN(C)[C@H](C(=O)N3CCC(Oc4ccccc4F)CC3)C2)n1 257318315 VNJPPWFUVNNSKF-FQEVSTJZSA-N 443.523 1.868 0 40 IDAB CN1CCO[C@@](Cc2ccccc2)(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)C1 257328202 XEPIHPWCMGZVPW-RCZVLFRGSA-N 436.556 1.128 0 40 IDAB O=C(NCCn1nc(-n2cccn2)ccc1=O)[C@@H]1CCCN(c2ccc(C3CC3)nn2)C1 585150002 VQJXDJOYVAHWDZ-QGZVFWFLSA-N 434.504 1.129 0 40 IDAB COCCNC(=O)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)/C=C/c2cccs2)C1 1614940367 ASTVFAJKWAVHBA-FNEOHHHZSA-N 429.546 1.984 0 40 IDAB O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1088011 KHZXDZUEOGYJSA-UHFFFAOYSA-N 449.554 1.710 0 40 IDAB CCCN1C(=O)[C@@H]2[C@@H](CCN2C(=O)CSCC(=O)O)N(Cc2cccs2)C1=O 4260478 PHKGEYYSWGBWHX-CJNGLKHVSA-N 425.532 1.710 0 40 IDAB biogenic,in-vitro O=C(COC(=O)CCOc1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9349164 UCYNEHGRLWAAGQ-UHFFFAOYSA-N 448.497 1.658 0 40 IDAB CCN(C(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 9612865 SZHBJDQIVZDXSE-LFAOLKIESA-N 441.502 1.304 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccccn1 9715289 OBIPMACZSDBOCJ-MRXNPFEDSA-N 436.559 1.509 0 40 IDAB O=C(NCCc1ccccc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 10219825 DJNLJTRVDGYMTN-UHFFFAOYSA-N 442.472 1.737 0 40 IDAB NS(=O)(=O)Cc1ccc(CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 10707003 CKQPDMXQMXFORF-UHFFFAOYSA-N 430.313 1.828 0 40 IDAB CCc1cc(CC)n(-c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n2C(C)C)n1 12518978 HTJGTDNXLFVEIC-UHFFFAOYSA-N 443.552 1.120 0 40 IDAB O=C(CSc1nccn1-c1cccc(F)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12540135 PVDGSNJQFHJDDH-QGZVFWFLSA-N 438.550 1.435 0 40 IDAB CC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 13137770 IVUJZQHLDLNDGS-KBPBESRZSA-N 443.953 1.442 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1 16321112 XQJAPABJEAZQFV-FZKQIMNGSA-N 428.532 1.649 0 40 IDAB COc1ccc2c(c1)CCN(C(=O)CN1CC[C@@]3(CCC1=O)NC(=O)c1cccnc1N3)C2 19562545 JLXCITJXWMSSAQ-XMMPIXPASA-N 449.511 1.539 0 40 IDAB O=C(NCCN1CCOCC1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 20533349 CWFMAHVSOBKHGW-UHFFFAOYSA-N 431.496 1.760 0 40 IDAB COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)[C@H]2COc3ccccc3O2)CC1=O 20744717 KPPBOEUHMYQDKK-MGPUTAFESA-N 439.468 1.121 0 40 IDAB COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)c1 22766157 HYCXSWXRFOHZNW-SFHVURJKSA-N 432.546 1.809 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC2)cc1 26940224 IIKIKWSBRWQFSU-UHFFFAOYSA-N 431.514 1.997 0 40 IDAB O=S1(=O)CC[C@H](N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 32652487 PLVABQVIAHDZQK-NSHDSACASA-N 446.900 1.852 0 40 IDAB CN(Cc1ccccc1Br)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 32826459 VWYYQWVYEJEGEU-UONOGXRCSA-N 429.336 1.443 0 40 IDAB CCOc1ccc(CCNC(=O)CN2CCC(NS(C)(=O)=O)CC2)cc1OCC 32865300 QDLJVAZMUFKGCI-UHFFFAOYSA-N 427.567 1.156 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccccc1F 44904234 ZXSOTQFYWDXCHB-UHFFFAOYSA-N 431.493 1.941 0 40 IDAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)N(C)S(=O)(=O)N1 57730549 MTDFYNOINMSZHE-CABCVRRESA-N 447.439 1.845 0 40 IDAB CN(C)C(=O)[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 58307606 XSRVFCHXGFDYOQ-IBGZPJMESA-N 446.529 1.659 0 40 IDAB O=C1N[C@@]2(COC3(CCN(C(=O)Cn4nnc5ccccc54)CC3)C2)Nc2ccccc21 72325265 FSDAFHWUCCLJJS-QHCPKHFHSA-N 432.484 1.765 0 40 IDAB COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 95482173 XMNDQFQFBWXDSY-UHFFFAOYSA-N 431.558 1.745 0 40 IDAB CC(=O)[C@H](C)n1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 96306521 BULFMPUTFMBINH-ZDUSSCGKSA-N 428.468 1.035 0 40 IDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)s1 224289293 HGBJLKCPUBNQAW-UHFFFAOYSA-N 433.537 1.329 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 253397526 FTCRVQGPPFOOHQ-SOFGYWHQSA-N 446.529 1.702 0 40 IDAB CCN1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257262422 LLIMIAUUXCTGOS-IBGZPJMESA-N 449.511 1.150 0 40 IDAB CC(C)(C)OC(=O)N1[C@@H](CNC(=O)CN2CCOCC2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257316678 VGNVKDRVQSKOFD-QSNWEANLSA-N 425.570 1.754 0 40 IDAB CC1(C(=O)N2C[C@@H]3OCC(=O)N(CCc4ccccc4)[C@H]3C2)CCN(c2ncccn2)CC1 257317305 VJERBPNSXRDAOT-SFTDATJTSA-N 449.555 1.764 0 40 IDAB COC(=O)C1=C(C)N=C2N=CNN2[C@H]1c1ccc(OCC(=O)N2CCCCC2)c(OC)c1 334160734 LFGRYFLYFXKYEU-FQEVSTJZSA-N 441.488 1.793 0 40 IDAB Cc1noc(C)c1C(=O)N1CCO[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 585107000 NONIVOJFEUNZHJ-CVDCTZTESA-N 426.517 1.690 0 40 IDAB CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 585273005 OIWLLQWVHPRUMR-XMMPIXPASA-N 441.576 1.651 0 40 IDAB Cc1nnc2n[nH]c(NC(=O)[C@@H]3[C@H](C)C=C[C@H]4C(=O)N(CC(F)(F)F)C(=O)[C@@H]43)c2c1C 1140401209 HTROFTQCQJFMAB-OSWAYODCSA-N 436.394 1.894 0 40 IDAB FC(F)(F)c1nnc2ccc(N3CCN(Cc4nnc(C5CCOCC5)o4)CC3)nn12 1775973617 PHXLJZPAKFDMBM-UHFFFAOYSA-N 438.414 1.742 0 40 IDAB COc1ccnc(N2C[C@H]3CN(S(=O)(=O)c4ccc(NC(C)=O)cc4C)C[C@@H]3C2)n1 1888897895 GHGAXBZUCGAFMN-HOTGVXAUSA-N 431.518 1.509 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)cc1OC 1888944450 NAAQKELSRQRHMM-ZIAGYGMSSA-N 444.517 1.137 0 40 IDAB CN(C)C(=O)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)Cc1ccccn1)C2 2056226765 ZJDWTQMEZFRZLQ-DEOSSOPVSA-N 430.512 1.846 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccncc5)C(=O)[C@H]24)O3)cc1OC 8764295 PXEJCMCVHDBDIB-RHQSAMMMSA-N 449.507 1.740 0 40 IDAB CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)C1 8775074 CDTJDXNIAPKPFV-QGZVFWFLSA-N 439.516 1.570 0 40 IDAB COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)c1 8927526 KPVRFNQLGFQXQD-QGZVFWFLSA-N 440.452 1.932 0 40 IDAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 8941427 MIBZDDDFLRETTE-LBPRGKRZSA-N 430.313 1.881 0 40 IDAB O=C(NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21)c1ccc2c(c1)OCO2 9016651 JNJJOOVWRIJNBJ-UHFFFAOYSA-N 435.415 1.939 0 40 IDAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)NCC(=O)Nc1ccc(F)cc1 9058132 RTPUZVKPQRATMF-UHFFFAOYSA-N 429.477 1.800 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(=O)N1CCOCC1 9191370 LINSXKGZDRIDKX-UHFFFAOYSA-N 434.470 1.740 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(-n3cnnn3)cc2)c1 9464437 USOHDGFWLWYGGO-UHFFFAOYSA-N 441.517 1.765 0 40 IDAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(N)=O)[C@H](C)CC)cc1 9612569 ICRMLBYCFDHVIN-DOMZBBRYSA-N 427.527 1.496 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)ccc1OC 10008918 UBJYTMPGQGGLCI-UHFFFAOYSA-N 441.531 1.642 0 40 IDAB Cc1csc(NC(=O)CSc2nc(=O)n(N3CCN(C)CC3)c3c2CCCC3)n1 10255193 YDAPVKJGIWGXFS-UHFFFAOYSA-N 434.591 1.501 0 40 IDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)no1 11279977 COSSQTNEUKVXLV-KGLIPLIRSA-N 446.485 1.714 0 40 IDAB O=C(Cc1cccs1)NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21 11666037 KBZFUDABAKMMSO-UHFFFAOYSA-N 449.544 1.363 0 40 IDAB O=C(CCC(=O)N1CCS(=O)(=O)CC1)N[C@H]1CC2(CCOCC2)Oc2ccccc21 12087068 GACFAPDKCQIBFT-KRWDZBQOSA-N 436.530 1.213 0 40 IDAB COc1cccc(-n2cnnc2SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 12593451 FBZFMYUTEQAKLT-UHFFFAOYSA-N 444.561 1.135 0 40 IDAB O=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12913421 ZDFVCQMYVDLFRK-NQIIRXRSSA-N 433.599 1.758 0 40 IDAB Cc1ccc(-c2noc(COC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cc1 12972470 VRJXIOSJAALQJZ-CQSZACIVSA-N 432.458 1.254 0 40 IDAB CCCn1c(N)c(C(=O)COC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(=O)[nH]c1=O 13069148 QFCHCTJKYCFABB-UHFFFAOYSA-N 446.460 1.916 0 40 IDAB CCc1nnc2ccc(N3CCN(S(=O)(=O)c4ccc(OC)cc4OC)CC3)nn12 13848128 KCESAPIBLILOFQ-UHFFFAOYSA-N 432.506 1.215 0 40 IDAB CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 16321550 CNTJCOZJJAYUEF-UHFFFAOYSA-N 433.486 1.683 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CN1Cc1ccccc1 16695075 SQTOYNZHPWFUFT-DENIHFKCSA-N 449.507 1.546 0 40 IDAB Cc1nc(C)c(S(=O)(=O)N[C@@H](c2cc(O)nc(N3CCN(C)CC3)n2)C(C)C)s1 19560586 UJABPJFGRZJRRV-MRXNPFEDSA-N 440.595 1.683 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(F)cc4F)C3)[nH]c(=O)c2C1 19572729 DVNPWMVKXRKTAU-AWEZNQCLSA-N 438.500 1.745 0 40 IDAB COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C)CC3)c(=O)[nH]c2c1 19940422 RJKWLPYUPLEYKV-FXAWDEMLSA-N 439.520 1.039 0 40 IDAB Cc1c(Br)c(=O)oc2cc(OCC(=O)NCCN3CCOCC3)ccc12 20426373 IIYJNEKXXZGTDT-UHFFFAOYSA-N 425.279 1.691 0 40 IDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C 20428137 HESPUILTNSQHIA-GOSISDBHSA-N 434.452 1.233 0 40 IDAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC)C(=O)OC 20763133 RGJMHCAKKBGZKJ-KXBFYZLASA-N 430.461 1.570 0 40 IDAB biogenic COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)N2CCN(CCO)CC2)c1=O 22697577 NYRLMFFNDYUZCH-JOCHJYFZSA-N 431.533 1.217 0 40 IDAB COc1cccc(-n2cnn(CN3CCN(CC(=O)N4CCCCC4)CC3)c2=S)c1 22924552 BVTDXKMXNCGGMS-UHFFFAOYSA-N 430.578 1.999 0 40 IDAB O=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCN(C[C@@H]2CCCO2)CC1 23817759 YXYUZSIJGSAAMR-IBGZPJMESA-N 433.530 1.695 0 40 IDAB O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608374 LKOICUBRZGVWQM-UHFFFAOYSA-N 443.997 1.720 0 40 IDAB COC(=O)c1cnc(NCCc2cn3ccccc3n2)c(S(=O)(=O)N2CCOCC2)c1 40153526 AENQZALDZWSDDY-UHFFFAOYSA-N 445.501 1.191 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)NCCOc1cc(N2CCOCC2)nc(C)n1 49372163 MLSOSYJBXFCICP-UHFFFAOYSA-N 426.470 1.127 0 40 IDAB Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338892 HDZVHXYYGKEGSB-YJYMSZOUSA-N 432.550 1.500 0 40 IDAB CN(C)c1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CCN(C(=O)CO)CC2)n1 72352069 HWRWWFLASJUUIL-IBGZPJMESA-N 437.544 1.757 0 40 IDAB COc1cccc(N2C[C@H](C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)CC2=O)c1 77148666 XHKZDDQFLRSPBR-MRXNPFEDSA-N 439.516 1.684 0 40 IDAB COCCCN1C(=O)[C@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 97514677 NKZXHBWKHXAHSY-AZXNSQLWSA-N 435.480 1.392 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC2)c(-c2ccncc2)n1 100205376 KDZOBNCVHMVGMD-IAGOWNOFSA-N 429.546 1.751 0 40 IDAB Cc1cnccc1-c1c[nH]nc1[C@H]1CC[C@H](CNC(=O)c2cc(=O)n(C)c(=O)n2C)CC1 100731928 FIPPREXIMQHYHF-IYBDPMFKSA-N 436.516 1.881 0 40 IDAB O=C([C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)N1CCN(c2ncccn2)CC1 101495772 IMVUCEVWNFCJAV-KDURUIRLSA-N 443.573 1.910 0 40 IDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 101558898 NDIPFGQEQGJMQI-HZVDNRATSA-N 443.525 1.607 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCSc2nc(C)n[nH]2)cc1 226046691 UZPGIBFNTDEMCS-UHFFFAOYSA-N 427.552 1.431 0 40 IDAB Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)ccc1OCC(=O)N(C)C 226686049 ACTLIOMEAFAFGX-MRXNPFEDSA-N 425.551 1.387 0 40 IDAB Cc1cc(C(=O)N2CCOCC2)ccc1NCc1nnc2n(C)c(=O)c3ccccc3n12 503952625 XRIXNEMMFSMBGQ-UHFFFAOYSA-N 432.484 1.974 0 40 IDAB Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)c2nn(-c3cccc(F)c3)cc2O)CC(=O)N1C 581002702 GISRMNKMZJWYDL-FOIQADDNSA-N 426.452 1.769 0 40 IDAB Cc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)Cc5ccccc5Cl)C[C@H]4C3)nn12 1888916425 PORZJFOKVMAHKU-HZPDHXFCSA-N 432.937 1.984 0 40 IDAB COc1ccc(C(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)CCC(=O)O)C2)cc1 4237055 PMCPCHJOBJITGR-GOEBONIOSA-N 439.468 1.920 0 40 IDAB biogenic,in-vitro COc1ccc([C@@H](CC(=O)O)NC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OC 8771991 WGKALOXGHZGKAW-OAHLLOKOSA-N 427.413 1.452 0 40 IDAB biogenic CCn1cc(C(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)c(=O)c2ccc(C)nc21 9729177 DDBBXIUXSJEQSZ-HSZRJFAPSA-N 449.467 1.845 0 40 IDAB CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 9849384 IZKKYZMIFCMEKK-UHFFFAOYSA-N 427.440 1.342 0 40 IDAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3)CC2)c1 11907000 XLOVRKBWYMQSMP-UHFFFAOYSA-N 449.554 1.572 0 40 IDAB CC(=O)N1CCCN(C(=O)CN2CC3(CCOCC3)Oc3ccc(Cl)cc3C2=O)CC1 12087134 CULIUWGDSFMZAM-UHFFFAOYSA-N 449.935 1.805 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)COc2ccccc2C)c(=O)[nH]c1=O 12788928 XVNBPXDIFGRKPL-UHFFFAOYSA-N 438.484 1.686 0 40 IDAB O=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCc1nnc2ccccn12 12816730 DRRLWSRLXIXGNH-UHFFFAOYSA-N 435.271 1.199 0 40 IDAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1 14170628 UBOCHYZDLOIBAS-QHCPKHFHSA-N 448.567 1.794 0 40 IDAB COc1ccc(CCNC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)cc1OC 16850933 DYZLXQDGBXXAAL-OAHLLOKOSA-N 433.530 1.721 0 40 IDAB C[C@@H](C(=O)NCCN1CCCC1=O)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 19080108 RCLIBBSCKVQHFQ-QMHKHESXSA-N 427.501 1.530 0 40 IDAB COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCCN4CCCC4=O)C3)c2N)cc1 19558758 RBQWZIZTSOBMCR-INIZCTEOSA-N 439.516 1.897 0 40 IDAB CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)c4ccc(-n5cnnc5)cc4)CC3)cc2n1 19585751 LBGYWQURQCPKHF-UHFFFAOYSA-N 444.499 1.985 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NCCc2ccccc2)cc1 22228353 GJZXBFWVMULGCR-UHFFFAOYSA-N 431.558 1.735 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1 22228778 OSWBNLYMTIWSQN-UHFFFAOYSA-N 435.477 1.144 0 40 IDAB CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1Cl 23115209 RAQMPEOYWSSOJP-CYBMUJFWSA-N 435.912 1.373 0 40 IDAB O=C(CCN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc2c(c1)OCCO2 25677949 HZYWPLHSRUMZFI-UHFFFAOYSA-N 437.543 1.854 0 40 IDAB CC1CCN(CCCNC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)CC1 28070034 BIRFGDZHIMSQLI-UHFFFAOYSA-N 431.566 1.793 0 40 IDAB Cc1nc2ccccc2nc1COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO 32724431 DJRHBAGAGIUHSK-UHFFFAOYSA-N 444.513 1.950 0 40 IDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)NCc2ccccn2)cc1 36357261 WSAIMCHUIMAEFV-LJQANCHMSA-N 444.557 1.575 0 40 IDAB O=C(COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O)N1CCNC1=O 40266527 MLQGGNYPPWBJMT-UHFFFAOYSA-N 430.436 1.032 0 40 IDAB COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCCS3(=O)=O)c(OC)c2)cc1 40287819 NLIGTSCNYATNAC-UHFFFAOYSA-N 447.513 1.889 0 40 IDAB Cc1cccc(CN2CCC(NC(=O)CCc3c(C)c4c(=O)[nH]n(C)c4[nH]c3=O)CC2)c1 48333146 FEDLLFXDXNDANP-UHFFFAOYSA-N 437.544 1.885 0 40 IDAB COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)CC1=O 71890999 QVFYHMPVXRZPOJ-BBRMVZONSA-N 438.484 1.338 0 40 IDAB COC(=O)[C@@H]1CC(=O)NN(Cc2coc(-c3ccc(I)cc3)n2)C1 95452668 VPHMRSLBZFPLEF-LLVKDONJSA-N 441.225 1.972 0 40 IDAB C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O 100774642 QAWUZTZYTDHJPF-JONQDZQNSA-N 425.526 1.898 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 224979951 CQHOJACMIMRJJZ-UHFFFAOYSA-N 433.530 1.853 0 40 IDAB Cc1cc(-c2cncnc2)cc([C@H]2CN(C(=O)COCCN3CCCC3=O)CCO2)n1 257212295 CCSCFHFXSIPSFA-HXUWFJFHSA-N 425.489 1.386 0 40 IDAB CN1c2ccccc2N(C2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)S1(=O)=O 575414121 LEDHTFJGGWTHLA-UHFFFAOYSA-N 439.501 1.468 0 40 IDAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1 575426593 WNHMMEWOLKBMQJ-SJORKVTESA-N 441.527 1.053 0 40 IDAB Cc1cc([C@H](O)[C@H](O)CO)c(Cc2ccc(N[C@@H]3CC(=O)O[C@H]3/C=C/[C@H](C)O)cc2)o1 1772591828 QZRCQDUNRLFOKR-YBRKUYKGSA-N 431.485 1.598 0 40 IDAB COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCOCC2)cc1OC 804393 AZIQZANTUYCTMG-LJQANCHMSA-N 446.525 1.678 0 40 IDAB CCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2c1c(=O)n(C)c(=O)n2C 880845 SIJMTEWWLBQGAE-UHFFFAOYSA-N 429.502 1.777 0 40 IDAB Cn1c(=O)c2c(ncn2C[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)n(C)c1=O 952710 RMLXWCATAFKYHX-QGZVFWFLSA-N 444.495 1.435 0 40 IDAB biogenic CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)O 2125393 CIKMDCQKPKFRRX-YUNKPMOVSA-N 432.473 1.829 0 40 IDAB biogenic CCOC(CCNC(=O)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1)OCC 2688597 VKKRGZKIQYPYII-HZPDHXFCSA-N 441.575 1.886 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 3357847 XYZCBLJKAUQMTC-SFHVURJKSA-N 433.530 1.918 0 40 IDAB Cn1c(=O)c2nc(SCC(=O)Nc3ccc(Br)cc3)n(C)c2n(C)c1=O 9166793 BJWQLBADSCAVAG-UHFFFAOYSA-N 438.307 1.464 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O 9222401 NCBIYWLIDBYAGQ-FQEVSTJZSA-N 426.454 1.885 0 40 IDAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1 9409740 OBSGXJGUMDYLEY-CQSZACIVSA-N 432.502 1.593 0 40 IDAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1)N1CCSCC1 9531014 SDFPYELFZCHCIW-MRXNPFEDSA-N 437.587 1.790 0 40 IDAB CN(C)CCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 9747394 JRIGHMXXPXEXTB-INIZCTEOSA-N 444.985 1.067 0 40 IDAB C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9871278 ZCMOBKKHIXZBRF-NXEZZACHSA-N 437.503 1.336 0 40 IDAB Cn1c(=O)n(CC(N)=O)c(=O)c2c1nc1n(-c3ccccc3F)c(-c3ccccc3)cn21 10271940 FFISYQGXUHPJQL-UHFFFAOYSA-N 432.415 1.430 0 40 IDAB O=C(NCCc1ccc(F)cc1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031146 YYJXFKFGHBFOOE-INIZCTEOSA-N 443.493 1.898 0 40 IDAB COc1ccccc1CNC(=O)C(=O)NC[C@H]1OCCN1C(=O)c1ccc(Cl)cc1 12080715 MMHQXEWFSJQEJJ-GOSISDBHSA-N 431.876 1.580 0 40 IDAB O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@@]1(Nc1ncccn1)C(F)(F)F 12360656 HHLQGPMSFLRAHJ-INIZCTEOSA-N 438.753 1.791 0 40 IDAB Cc1ccc(C(=O)N[C@H](C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 12751200 PKFOFVFWSVYDIE-JQHSSLGASA-N 438.546 1.327 0 40 IDAB CCOC(=O)c1c(NC(=O)CN2CCC(C(=O)N(C)C)CC2)sc(C(=O)NC)c1C 13096825 VFSNJJZHLUTDIB-UHFFFAOYSA-N 438.550 1.332 0 40 IDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16024496 OPNZIEVNEBUACP-ZHUCMLQESA-N 436.306 1.349 0 40 IDAB CC1CCN(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 17179765 WXTPTWYKZVNJQD-INIZCTEOSA-N 426.608 1.757 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N1C[C@H](C)O[C@H](C)C1 18117952 RSCFGAWJUQOZQF-GASCZTMLSA-N 441.575 1.140 0 40 IDAB Cc1ccccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(S(C)(=O)=O)CC2 19236783 OSBPNBBLZZBXGU-SFHVURJKSA-N 430.530 1.763 0 40 IDAB CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)CN3CCC[C@H](C)C3)[C@@]21C 19496527 METMTICIPCYKOR-MTSNRIFQSA-N 439.560 1.968 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)N3CCC(C)CC3)CC1)O2 19496709 XTPXBXFVVSCBHK-QHCPKHFHSA-N 429.517 1.827 0 40 IDAB Cc1c(NC(=O)c2cccnc2N2CCN(CCO)CC2)c(=O)n(-c2ccccc2)n1C 19577112 XIYHUUYIQNYPOA-UHFFFAOYSA-N 436.516 1.246 0 40 IDAB CN1C[C@H](c2ccc(CN(C)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)[C@@H](C(N)=O)C1 19698773 VQUYGMMINHAMMQ-MOPGFXCFSA-N 445.541 1.409 0 40 IDAB Cc1ncc(C(=O)NC2CC2)c([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 19766730 WHMYSBHZVJINSY-QGZVFWFLSA-N 444.513 1.974 0 40 IDAB COc1ccc([C@H]2CC(=O)c3c(C)nc(N4CCN(CCO)CC4)nc3C2)c(OC)c1 21123178 IAVLNTNAGOVYCK-MRXNPFEDSA-N 426.517 1.829 0 40 IDAB Cc1ccc(CN2C[C@@H](C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2=O)cc1 30643771 PPMBOCZRKMFSND-NRFANRHFSA-N 436.560 1.462 0 40 IDAB CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 33325518 RGCHDZFJVBKURC-SFHVURJKSA-N 430.530 1.522 0 40 IDAB CCCCn1c(SCC(=O)N2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C 35312950 YAKPEBOATPNRID-UHFFFAOYSA-N 441.557 1.911 0 40 IDAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nnc([C@@H]2CCCO2)s1 44901216 OHFMAWNUPLTSOM-HNNXBMFYSA-N 434.497 1.999 0 40 IDAB CCOc1ccc(-n2ccn(CC(=O)NCc3ccc(OC)c(OC)c3)c(=O)c2=O)cc1 67256145 ISNBVKXMLPSBIP-UHFFFAOYSA-N 439.468 1.732 0 40 IDAB Cc1cc(C(=O)N2CCOCC2)ccc1N(C)CC(=O)N1CCN(c2ncccn2)CC1 72313270 ZMJZSALZHAETGF-UHFFFAOYSA-N 438.532 1.042 0 40 IDAB Cc1nc(C2CCN(C(=O)CCN3CCOCC3)CC2)nc2c1CCC(=O)N2CC1CC1 72371157 OZIPIJKAQKCBTA-UHFFFAOYSA-N 441.576 1.903 0 40 IDAB COc1ccc(NC(=O)CN2CCC[C@@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cc1 72380725 VCZLHJWLGYVKPE-MRXNPFEDSA-N 427.505 1.709 0 40 IDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 77190968 SECKRLUQANNNMM-UHFFFAOYSA-N 435.362 1.622 0 40 IDAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 84637076 JSDDLXGXAQHGDV-MGPUTAFESA-N 433.530 1.413 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C)cc1 95453031 BSDQFHNZVLVNKH-OLZOCXBDSA-N 431.511 1.323 0 40 IDAB O=C([C@@H](c1ccccc1)n1cnnn1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 95476258 FETGUWVGDCWOCX-GOSISDBHSA-N 446.920 1.449 0 40 IDAB COCC(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C2CCOCC2)CC4)C1 100233642 HTFZWPJCLDSROU-OAHLLOKOSA-N 429.521 1.324 0 40 IDAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100789710 MQPFAAHFXWNQNJ-HKUYNNGSSA-N 441.553 1.895 0 40 IDAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cn1cnc2ccccc2c1=O 206803089 DGEUFFBZTBMOGP-KDOFPFPSSA-N 425.416 1.757 0 40 IDAB C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3ccco3)c3sc(=O)[nH]c3S[C@H]12 245227623 KZQAKQMIKBMOJN-GUBZJDGZSA-N 446.506 1.976 0 40 IDAB Cc1nonc1CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257205234 AYDMPMSGHBGJRG-FIXSFTCYSA-N 441.576 1.526 0 40 IDAB CN1CC2(CCN(C(=O)C3CCCC3)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O 643574519 YXDXGCTZHKWRNO-LEWJYISDSA-N 444.572 1.991 0 40 IDAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCc4ccccc4C3)CC2)o1 1676465620 XHVKZFNFBLGIFT-QGZVFWFLSA-N 446.529 1.342 0 40 IDAB Cc1cccc(OC[C@H](O)CN(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)C(C)C)c1 1681922860 OXJVFNXJZXUNAT-NLWGTHIKSA-N 441.594 1.873 0 40 IDAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)NCc1ccc2c(c1)OCO2 3318776 OUXSAMPTPROSJP-UHFFFAOYSA-N 446.481 1.673 0 40 IDAB CCCCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2ccccc2c1=O 3323969 TZULBTHUSSNYNT-UHFFFAOYSA-N 429.502 1.151 0 40 IDAB Cc1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)c1 4166137 XUJGSTGUEQKYAR-OAHLLOKOSA-N 439.534 1.754 0 40 IDAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCN1C(=O)c2ccccc2C1=O 8705840 TYVFVKINHWYGMG-UHFFFAOYSA-N 427.438 1.302 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)n(C)c1=O 9467128 NNDNKSMDDLSWKF-UHFFFAOYSA-N 432.440 1.325 0 40 IDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NCCc1ccccc1 9486909 GUWHAWFABNQFKJ-FUHWJXTLSA-N 437.496 1.674 0 40 IDAB COc1cccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c1 9492699 XWSJRZNMKHYRDS-QHCPKHFHSA-N 438.484 1.938 0 40 IDAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC(=O)N[C@H]1CCS(=O)(=O)C1 9643989 PBDRIUTYRZRZER-QMMMGPOBSA-N 438.318 1.141 0 40 IDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9724986 YRDDBHRDOCROBQ-INIZCTEOSA-N 428.466 1.966 0 40 IDAB NC(=O)NCCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 11866827 SPDVCKVVLULAFV-INIZCTEOSA-N 431.445 1.069 0 40 IDAB biogenic CN(CCc1ccccn1)C(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086610 GAXJVRZJAWOVHD-XMMPIXPASA-N 436.512 1.656 0 40 IDAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC(=O)CN1CCCC1=O 12549589 ORCGGPLMAHYEHV-UHFFFAOYSA-N 439.497 1.944 0 40 IDAB CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 13097965 BZAPPKGTVSCNJC-UHFFFAOYSA-N 425.532 1.924 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(CC)n4n3)CC2)cc1 13848144 SGDYCYGNBXODGW-UHFFFAOYSA-N 444.517 1.374 0 40 IDAB COC(=O)c1cccc(NC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c1 14896202 ZXUUNDGVVFOVTN-KRWDZBQOSA-N 444.465 1.511 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)NCc3cccnc3)CC1)O2 19219049 QSVQCLPTVUSALU-MZNJEOGPSA-N 436.512 1.968 0 40 IDAB CS(=O)(=O)N1CCc2ccc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)cc21 19819431 JQXUOYOTISUUDV-UHFFFAOYSA-N 449.510 1.047 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 21010503 PTCNFQWSRYLQKA-MRXNPFEDSA-N 427.548 1.389 0 40 IDAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCCN2CCOCC2)cc1 22874183 QNFJXMHZAJLHLB-UHFFFAOYSA-N 435.521 1.854 0 40 IDAB Cc1noc(C)c1CSCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 23133817 VPHVOBHYDCXFRE-UHFFFAOYSA-N 445.588 1.923 0 40 IDAB Cn1cnc2c1c(=O)n(CCCSc1nnnn1-c1cccc(Cl)c1)c(=O)n2C 24091133 UIIDIGPVWXULAF-UHFFFAOYSA-N 432.897 1.245 0 40 IDAB CCOC(=O)N1CCC(NC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 24470376 RJZDLKMVGZJPIA-UHFFFAOYSA-N 425.507 1.295 0 40 IDAB COCCN(CCCN(C)C)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 32923978 HQPCFUPOPMBECS-QZTJIDSGSA-N 441.594 1.525 0 40 IDAB COC(=O)CC1CCN(C(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 72401172 QLRDFAIQFRXQST-UHFFFAOYSA-N 436.940 1.973 0 40 IDAB COCC(=O)N1CCC2(CC1)O[C@H](C(=O)NCc1ccc(OC)cc1)Cn1ccnc12 96036730 BDEUZMWGVXFACX-SFHVURJKSA-N 428.489 1.071 0 40 IDAB Cn1cc(CN2CCC3(CC2)Cc2nc4c(c(=O)n2C3)CN(c2ncccn2)CC4)cn1 306129913 IQLULACBMYRELO-UHFFFAOYSA-N 432.532 1.168 0 40 IDAB Cn1c(C(F)(F)F)nn(C2CCN(S(=O)(=O)c3ccc4oc(O)nc4c3)CC2)c1=O 575615811 JVBFSMDBGMOUAY-UHFFFAOYSA-N 447.395 1.473 0 40 IDAB COc1ccc(C(=O)NN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(N)=O)cc1 720821 ORBPCFPMMVNBFL-MRXNPFEDSA-N 428.470 1.226 0 40 IDAB COC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccccc1 1516870 JZVXXKCISRTHDW-VZVUQDNOSA-N 448.500 1.160 0 40 IDAB COc1ccc(-n2nnnc2SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1 3347918 HQAGBBSYBJUONA-UHFFFAOYSA-N 430.465 1.999 0 40 IDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1 6017134 ZYDJQZXFLHTBAK-UHFFFAOYSA-N 429.424 1.938 0 40 IDAB COc1cc(NC(=O)Cn2ccn(Cc3ccccc3OC)c(=O)c2=O)cc(OC)c1 8588240 VEKUZKGUHKFGNY-UHFFFAOYSA-N 425.441 1.723 0 40 IDAB CC(C)[C@@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O 9170899 UVELKMNWTXVIMC-VDNDLQMASA-N 434.493 1.804 0 40 IDAB O=C(COC(=O)Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(N2CCOCC2)cc1 9469841 RHJQMOPUAWOSBR-UHFFFAOYSA-N 439.390 1.886 0 40 IDAB CCn1c(S[C@H]2C[C@H](C)OC2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9871084 PSNHWDGNPIRIHB-LRDDRELGSA-N 425.532 1.873 0 40 IDAB CCc1c(C)nc2cc(C3CCN(C(=O)CN(C)[C@@H]4CCS(=O)(=O)C4)CC3)nn2c1O 12134195 MJOUVMBGLSDEOF-MRXNPFEDSA-N 449.577 1.131 0 40 IDAB CC(=O)N1CCN(c2nc(N3CCOCC3)nc3c2CCN(Cc2ccccc2)C3)CC1 12142750 NDKNCHZKUHMSOG-UHFFFAOYSA-N 436.560 1.540 0 40 IDAB O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc2c(c1)OCO2 12360184 VAZGDIFLGOKYTF-UHFFFAOYSA-N 435.436 1.841 0 40 IDAB biogenic,in-vitro Cc1cn2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc2n1CC(=O)O 12551606 PQJYKPAZFWDWOO-UHFFFAOYSA-N 436.255 1.898 0 40 IDAB CCCc1nc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cs1 12753153 RSVSCJWCAMVQAF-UHFFFAOYSA-N 444.604 1.250 0 40 IDAB Cc1ccnc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)nn12 12982146 YOEBFDARIUCORM-UHFFFAOYSA-N 426.911 1.294 0 40 IDAB O=C(CN1CCOCC1)N1CCN(Cn2nc(/C=C/c3ccc(F)cc3)[nH]c2=S)CC1 14237282 KXONQDXTBRMYIU-ZZXKWVIFSA-N 446.552 1.684 0 40 IDAB CCCCN(C(=O)Cn1cnc2ccccc2c1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O 14623745 CSEFCBVHXLZEBR-UHFFFAOYSA-N 440.504 1.462 0 40 IDAB COc1cc(CN2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)ccc1OCC(N)=O 19693646 AXKMOKRCACGQQN-JOCHJYFZSA-N 435.484 1.985 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1OC 22766319 YEJBEWMKXRRJSQ-KRWDZBQOSA-N 432.546 1.809 0 40 IDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)CN3CCOCC3)CC2)cc1 23674158 FJPLGJDUBRILPR-QUCCMNQESA-N 425.595 1.200 0 40 IDAB O=c1/c(=C\c2ccncc2)sc2n1CN(c1ccc(I)cc1)CN=2 33934546 RGWSNEUYCZVDFY-OQLLNIDSSA-N 448.289 1.793 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 35363844 DUCJOSYWMDPMOJ-PILDZVQMSA-N 449.507 1.613 0 40 IDAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCCN(c3ncccn3)CC1)cn2CC(=O)O 36366120 HXTTVUKECAUSFZ-FQEVSTJZSA-N 439.472 1.863 0 40 IDAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)c2)n1 48252537 NEJJVKRSQWKEJG-IBGZPJMESA-N 441.488 1.904 0 40 IDAB COC(=O)C[C@@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1ccccc1 48344404 OYKUQOAJHBVKGN-KNQAVFIVSA-N 435.480 1.883 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1 48374880 XTKXOCUSYRCJAP-AWEZNQCLSA-N 431.580 1.443 0 40 IDAB COc1ccc(NC(=O)Cn2nc3c4sc(N(C)C)nc4ncn3c2=O)c(OC)c1 67246214 PLCBEBRKHBXRGR-UHFFFAOYSA-N 429.462 1.223 0 40 IDAB COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(CCN)[C@@H]3CO)cc2)cc1OC 72321367 WXNFCEXOTHECNI-DYESRHJHSA-N 429.473 1.176 0 40 IDAB biogenic,in-vitro COc1ccc(S(=O)(=O)CC(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1 72393934 SXOCETGQWGYOLB-CQSZACIVSA-N 429.502 1.552 0 40 IDAB COc1cccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)c1 98213174 BVJJXQCZJGOQDZ-UHFFFAOYSA-N 425.420 1.487 0 40 IDAB COc1ccccc1N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O 224553859 CBWYWNLIKUWVGI-UHFFFAOYSA-N 447.557 1.610 0 40 IDAB CNc1cc(N2CCC[C@](O)(CNC(=O)c3cccc(OCCN(C)C)c3)C2)ncn1 257340819 ZHQCNJRNYXXDPS-QFIPXVFZSA-N 428.537 1.220 0 40 IDAB O=C(NCCO)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408582480 CQKYUTPSTKMPJA-INIZCTEOSA-N 427.320 1.447 0 40 IDAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)N[C@@H]1CCS(=O)(=O)C1 524734624 WOULUQYUSHSAAF-VLIAUNLRSA-N 439.493 1.495 0 40 IDAB NC(=O)C1CCN(C(=O)[C@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC23CCOCC3)CC1 585101989 RDIHARGQYWNAJL-CQSZACIVSA-N 443.470 1.381 0 40 IDAB O=C(CCn1ccc(O)nc1=O)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147541 JMOBJVRRINNUIO-UHFFFAOYSA-N 435.484 1.502 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(C(=O)c1cccnc1)C2 1549167465 PANVJFCJQCBNMQ-OAQYLSRUSA-N 448.523 1.783 0 40 IDAB COc1ccc(S(=O)(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)cc1C(N)=O 1888900849 UDTDCTQSYQUBAC-UHFFFAOYSA-N 430.408 1.375 0 40 IDAB COc1cccc2c1O[C@@]13CCCC[C@H]1[C@H]2[C@H](S(=O)(=O)N1CCN(C)CC1)C(=O)N3 1888999956 CEWHUCYENCMFMD-HRDWYUFVSA-N 435.546 1.133 0 40 IDAB Cc1cnc(Nc2cccc([C@@H]3CN(S(=O)(=O)N4CCOCC4)CCO3)n2)s1 2037834618 VKOOBPATCUHWKK-HNNXBMFYSA-N 425.536 1.540 0 40 IDAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1 1363911 BIOSPRYQBPDVTR-HNNXBMFYSA-N 442.501 1.710 0 40 IDAB NC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 3306125 XAYNGLGMRBXSSD-UHFFFAOYSA-N 427.526 1.771 0 40 IDAB CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O 6190656 MMYOLAYKEMCIIR-UAGQMJEPSA-N 434.537 1.253 0 40 IDAB C1CN(P2(N3CC3)=NP(N3CC3)(N3CC3)=NP(N3CC3)(N3CC3)=N2)CCO1 8214568 SCGZIPCHOAVGCL-UHFFFAOYSA-N 431.362 1.749 0 40 IDAB in-man Cn1c(=O)oc2ccc(S(=O)(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc21 8783088 NEYGWSUTCTWFQH-UHFFFAOYSA-N 437.499 1.717 0 40 IDAB Cc1cc(/C=C/C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)n1Cc1ccco1 8876551 QNSNWINVYVYWEF-DKFQHHCZSA-N 434.514 1.948 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2nnc(NC3CC3)s2)cc1 8937614 JISYZGVXGYCJKV-UHFFFAOYSA-N 441.560 1.411 0 40 IDAB CCCn1c(=O)n(CC(=O)NC[C@@H]2CCCO2)c(=O)c2c3c(sc21)COC(C)(C)C3 9410411 SRUWAZLHIMTLTP-ZDUSSCGKSA-N 435.546 1.781 0 40 IDAB COc1ccc(NC(=O)CSc2nnc(C)n2N)cc1S(=O)(=O)N1CCCCC1 9466698 RYEPGOPRDIMABM-UHFFFAOYSA-N 440.551 1.214 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccccn1 9715250 PRRRAJGSDNZYQI-GOSISDBHSA-N 430.530 1.448 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(F)cc2)cc1 9806711 QMAINLHKFACPGX-MRXNPFEDSA-N 435.477 1.742 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1c(C)nn(C)c1C 10678478 BWVRFGZZKSFIRO-UHFFFAOYSA-N 436.534 1.638 0 40 IDAB CS(=O)(=O)c1cccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccccc3)o2)c1 10692297 QDEYHTZDKYGHEB-UHFFFAOYSA-N 435.483 1.742 0 40 IDAB O=C(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)NC(=O)c1ccccc1 11046303 LUNHOKWSKXBEJC-UHFFFAOYSA-N 430.482 1.975 0 40 IDAB C[C@H](C(=O)N[C@]1(C)CCS(=O)(=O)C1)N1CC2(CCOCC2)Oc2ccccc2C1=O 12086881 ZFUIBIVVKKTTJD-FOIQADDNSA-N 436.530 1.152 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 13573279 UMSWYBBSMHRQPH-XMDUPGNXSA-N 436.306 1.472 0 40 IDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 14901340 PLJGRTKDYLEEBN-KFWWJZLASA-N 439.534 1.744 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 18708841 LXNYAPRHCRWOLZ-IBGZPJMESA-N 446.504 1.640 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19520415 IMBWCGHKTGGFFY-KRWDZBQOSA-N 431.518 1.240 0 40 IDAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C)CC2)C1 19938143 RNCVFLADSZVSPL-HNNXBMFYSA-N 429.970 1.913 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccco1 24014385 ZOLYUPOQDNSAOA-GOSISDBHSA-N 445.403 1.563 0 40 IDAB O=S(=O)(NCCc1cn2c(n1)CCCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 32809776 QYAQNYXAABYUPB-UHFFFAOYSA-N 438.575 1.525 0 40 IDAB Cc1cccc(C(=O)NCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c1 35291064 QOCQQGOVJDGNNY-UHFFFAOYSA-N 446.511 1.632 0 40 IDAB COCCNC(=O)[C@@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 36576588 HGRLBDKUJRMARY-KLAILNCOSA-N 425.551 1.039 0 40 IDAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN([C@@]1(C)CCS(=O)(=O)C1)C3 57151476 LPWRRYTZGDSBMF-NRFANRHFSA-N 435.498 1.854 0 40 IDAB O=C(Cn1c(-c2cccs2)noc1=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 71826656 IPLONTZRQMUCDQ-GFCCVEGCSA-N 439.540 1.842 0 40 IDAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 71892535 YEMAYIHNZSUGJE-NJYVYQBISA-N 447.601 1.235 0 40 IDAB O=C(O)c1cc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cnc1Cl 79103011 FASQRJGTJVGTTL-SECBINFHSA-N 439.833 1.672 0 40 IDAB COc1ccc(-c2nn(CCCC(=O)NCCN3CCOCC3)c(=O)cc2OC)cc1 96100911 LABPLHLJAUWFOB-UHFFFAOYSA-N 430.505 1.156 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)N1CC(S(=O)(=O)c2ccc(OC)cc2)C1 96121906 RFONHQBWFCRTQC-UHFFFAOYSA-N 431.513 1.390 0 40 IDAB CCN1C(=O)C2(CCN(S(C)(=O)=O)CC2)CC12CCN(C(=O)Cc1ccccc1)CC2 103462651 RHMBTBWIFJKIKE-UHFFFAOYSA-N 447.601 1.884 0 40 IDAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cn1cnc2ccccc2c1=O 206803003 DGEUFFBZTBMOGP-KSSFIOAISA-N 425.416 1.757 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408652375 CKQFDTQWATVDAB-GOYXDOSHSA-N 440.452 1.541 0 40 IDAB CC(=O)N1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)Cc1ccc(F)cn1)C2 585101563 NADLRSZBMMFJJG-JOCHJYFZSA-N 428.439 1.769 0 40 IDAB CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccn4)n3C[C@H](COC)OC)C2)CC1 1547725344 WKUHQVDTVVKGPS-RTBURBONSA-N 429.569 1.218 0 40 IDAB Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)nn1 1775970059 ZHZIIYAHHPOJCV-UHFFFAOYSA-N 444.513 1.918 0 40 IDAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)c(=O)n(C)c1=O 2630271 SCKSPZIFQBYSHW-UHFFFAOYSA-N 429.260 1.527 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 2654848 BYXUMVQSLYPJRI-HNNXBMFYSA-N 433.486 1.288 0 40 IDAB CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)NCCNC(C)=O 5415189 ZEXRVMWGHHLKPI-IRXDYDNUSA-N 425.551 1.374 0 40 IDAB biogenic,in-vitro Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 8745711 SJJGTZQXRVAXTP-AWEZNQCLSA-N 446.558 1.458 0 40 IDAB CC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O 8792079 CZZXLHCWTVDXBG-BBRMVZONSA-N 431.449 1.025 0 40 IDAB biogenic COC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)cc1 9001102 VFKHXGQUUVPRFF-UHFFFAOYSA-N 445.435 1.427 0 40 IDAB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)NCc1ccccc1 9263802 MNZWAHQKLYGJSI-UHFFFAOYSA-N 439.497 1.882 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)Nc3ccncc3)C2)cc1 9420599 OBFRWYNYHRIFAY-HNNXBMFYSA-N 432.502 1.246 0 40 IDAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 9908572 NZBRKSAMGIMKSG-JLTOFOAXSA-N 433.486 1.707 0 40 IDAB CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)CC1 10131856 CCYNBMSOZIXFNG-UHFFFAOYSA-N 430.461 1.228 0 40 IDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 10758921 GOVAGBXSGVKAJC-KFCXZAFISA-N 443.500 1.347 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(c2cnccn2)CC1 11545784 CGWHVDYTDUFEPK-UHFFFAOYSA-N 429.546 1.373 0 40 IDAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 11905035 ZOIRXTPTOBTKRZ-GFCCVEGCSA-N 438.483 1.587 0 40 IDAB CC(C)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)NCC(=O)O 12296161 DAIGAFPLDLTFCH-CVEARBPZSA-N 433.461 1.046 0 40 IDAB biogenic Cn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c2ccccc21 12918409 WKXBEERZHBDLEK-UHFFFAOYSA-N 448.932 1.527 0 40 IDAB NC(=O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 14235310 WUESRSAGFRTSMI-UHFFFAOYSA-N 431.470 1.744 0 40 IDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1C 14255423 VUDXUSLMBQXAOB-KBPBESRZSA-N 428.507 1.389 0 40 IDAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)Nc1ccc(F)c(F)c1 15647567 NZYARMGSMLNDMM-GFCCVEGCSA-N 431.395 1.844 0 40 IDAB CNc1nc(C2CCN(C(=O)[C@H](C)CN3CCOCC3)CC2)nc2c1CCN(C(C)=O)C2 19710843 RKWVDUCHWFNLHM-MRXNPFEDSA-N 444.580 1.097 0 40 IDAB Cc1nc([C@@H]2CCN(C(=O)CN3Cc4ccccc4C3)C2)ncc1C(=O)N1CCOCC1 19757762 ZSJOEYLKYMECFY-HXUWFJFHSA-N 435.528 1.589 0 40 IDAB O=C1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 19961058 SQPAGGSTYRCNLM-LBPRGKRZSA-N 437.378 1.690 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(C)cc3)CC2)cc1C 21149823 GYFOLLFBCTYHOF-UHFFFAOYSA-N 442.545 1.794 0 40 IDAB CCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2C1 21295238 DXUQQVLDFMEDCM-UHFFFAOYSA-N 436.559 1.794 0 40 IDAB CCCCN(C(=O)COC(=O)c1ccc(Cn2cncn2)cc1)[C@H]1CCS(=O)(=O)C1 22613618 PIBBMWYGJBVJHF-SFHVURJKSA-N 434.518 1.299 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(C)CC3)CC2)cc1OC 23421744 BFZNUNRSRXTDGB-UHFFFAOYSA-N 425.551 1.315 0 40 IDAB CC1=C[C@@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN1CCOCC1 30880007 JOIPKKVNTNNYKK-ACRUOGEOSA-N 443.592 1.900 0 40 IDAB biogenic,in-vitro COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC#N)c([N+](=O)[O-])c3)C2=O)o1 33622674 OSPWCAZPTZMISC-JYRVWZFOSA-N 426.341 1.970 0 40 IDAB Cc1ccccc1-n1ncc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C1CC1 48253283 ZIXOPEOTJGTUAL-MRXNPFEDSA-N 430.530 1.481 0 40 IDAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O 57520689 NZNXALZGNJOKJM-UHFFFAOYSA-N 443.485 1.167 0 40 IDAB CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](n3cc(C(=O)O)cn3)C2)cc1 95982556 MMNAZLLLEPCOQG-JEJOPICUSA-N 432.502 1.709 0 40 IDAB COc1c2c(c(Cn3nnn(-c4ccccc4Cl)c3=O)c(OC)c1OC)C(=O)OC2 96191880 PBIKPVJGIHQCTE-UHFFFAOYSA-N 432.820 1.827 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 225193437 XCTLMPZIKDROSK-MRXNPFEDSA-N 433.530 1.625 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]4C=C[C@H]3C43CC3)nc2C1 247503287 GELJSTNBFHRIHU-IIVZCXTMSA-N 444.557 1.766 0 40 IDAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CN(C(=O)CN3CCNC(=O)C3)CCO2)n1 257216101 CTCHCDBEPRXSET-OAQYLSRUSA-N 442.947 1.966 0 40 IDAB CCN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCCc3ccccc3)c2)CC1 408713471 ADBIZFLDRYOXIM-UHFFFAOYSA-N 431.558 1.994 0 40 IDAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCC(N)=O 409215042 ZWPJDILXOOBSTC-OVCLIPMQSA-N 442.403 1.230 0 40 IDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4c4ccccc4)C3)C2)[nH]n1 540328611 OAMHDZAKUHAMIU-WWNBULGVSA-N 436.516 1.555 0 40 IDAB CN1c2ccc(F)cc2N(CCNC(=O)CCS(=O)(=O)c2ccccc2)S1(=O)=O 575610915 CFAIHEVXESUOHD-UHFFFAOYSA-N 441.506 1.307 0 40 IDAB O[C@]1(CNCc2ccc(OCCN3CCOCC3)cc2)CCCN(c2cnccn2)C1 585274267 UUCHNKVOSYTTAO-QHCPKHFHSA-N 427.549 1.309 0 40 IDAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5ccc(OC)cc5)C[C@H]4C3)ncnc21 1888935234 CFVQDHKWVLCTGI-HUUCEWRRSA-N 428.518 1.612 0 40 IDAB Cc1ccccc1N1C(=O)C[C@H](N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 2633299 AQTCZOIBKIPZRQ-IBGZPJMESA-N 431.489 1.773 0 40 IDAB CCC(=O)Nc1nnc(CCOCCOCCc2nnc(NC(=O)CC)s2)s1 6461952 YMTQZYYQLJTNCF-UHFFFAOYSA-N 428.540 1.905 0 40 IDAB O=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)c1cccc(Br)c1 8588178 RQUSDTWRBIDVPI-UHFFFAOYSA-N 433.309 1.574 0 40 IDAB COC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(N(C(=O)C(C)C)S(C)(=O)=O)cc12 8753912 ZUMKPSPBYWTRLB-UHFFFAOYSA-N 430.504 1.493 0 40 IDAB COc1ccc(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 9575304 VJLTYFFMVZMTRS-MRXNPFEDSA-N 431.514 1.851 0 40 IDAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)NCc4ccc5c(c4)OCO5)cn(C)c3c2=O)cc1 9820658 DYLBKYQYWRMVAB-UHFFFAOYSA-N 432.436 1.985 0 40 IDAB CCCCn1c(N)c(N(CCC(C)C)Cc2nnnn2-c2ccccc2)c(=O)[nH]c1=O 10486300 STNRBMYZIDXALH-UHFFFAOYSA-N 426.525 1.947 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)CSc2ccc3c(c2)OCCO3)cc1 12566745 GWCKSWXOLUOLEX-UHFFFAOYSA-N 438.483 1.379 0 40 IDAB CC[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Br)cc1 12576211 DWEWNSDRBRIKLH-CYBMUJFWSA-N 434.294 1.464 0 40 IDAB C[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12746395 JUKDBWRKTNOOKE-OXJNMPFZSA-N 429.542 1.780 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2cccs2)cc1 13375883 JDCHEOFSINRFDJ-ROUUACIJSA-N 442.584 1.478 0 40 IDAB O=C1[C@H]2C3C=CC([C@@H]2C(=O)N1Cc1cccnc1)[C@H]1C(=O)N(Cc2cccnc2)C(=O)[C@H]31 13777930 OROWPZZWTYLNEV-ABPJMCOGSA-N 428.448 1.195 0 40 IDAB CCCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)cc1 13847983 TTYYFXULJIWKDB-UHFFFAOYSA-N 443.533 1.682 0 40 IDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(Cc3ccc4c(c3)CCO4)CC1)C2=O 14083872 XZSFQKFDUQHSMP-BXKMTCNYSA-N 440.544 1.766 0 40 IDAB O=S(=O)(c1ccc(Cl)s1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 14099784 ZOANJBPIESYYBB-UHFFFAOYSA-N 428.001 1.829 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](c3nc(-c4ccsc4)cc(=O)[nH]3)C2)CC1 19572256 PHCCSMQZAMCSNW-CQSZACIVSA-N 436.559 1.486 0 40 IDAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1)Nc1ccc(F)cc1F 20465236 WETLPHVCWWYBSW-IVAOSVALSA-N 433.455 1.634 0 40 IDAB biogenic,in-vitro COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1)C(=O)OC 20762530 GJWFEFWVJNGEPG-QFBILLFUSA-N 430.461 1.570 0 40 IDAB biogenic CC(=O)Nc1ccc(S(=O)(=O)NCCNc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 23144539 XUSHTWRYJCFIRV-UHFFFAOYSA-N 443.533 1.936 0 40 IDAB CCNC(=O)COc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1 24625458 OIGRQFOUUAEFKD-UHFFFAOYSA-N 447.513 1.475 0 40 IDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 25176603 DBHQOIHICNMELA-UHFFFAOYSA-N 438.922 1.524 0 40 IDAB CN(C)C(=O)N1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 32244540 XIRNMJRLCZOSFY-UHFFFAOYSA-N 425.283 1.000 0 40 IDAB COc1cc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)cc(OC)c1OC 32814420 DLOFWVVJADUKIP-UHFFFAOYSA-N 433.442 1.703 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3cccs3)CC2)o1 40094613 YYONXDTZARMDHA-UHFFFAOYSA-N 426.516 1.984 0 40 IDAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC[C@H](O)C(F)(F)F 72290285 CXGCJGBRHWBXOW-KBPBESRZSA-N 428.498 1.825 0 40 IDAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC1)O2 72328087 OYBMJQRZKQOYGH-WJONJSRFSA-N 448.541 1.403 0 40 IDAB C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 97527153 PSJFWERFRDMJIM-WAWSTRMLSA-N 445.608 1.454 0 40 IDAB Cc1c(C(=O)N2CCOC[C@@](O)(CNC(=O)c3cnccn3)C2)[nH]c2ccc(F)cc12 257227694 FQMIYHKXQQFCDM-OAQYLSRUSA-N 427.436 1.039 0 40 IDAB CNc1cc(N2CCC[C@@](O)(CNCc3ccc(OC)c(OCCOC)c3)C2)ncn1 257248524 JEAMJJJFTPQYOZ-JOCHJYFZSA-N 431.537 1.673 0 40 IDAB O=C1CCCN1CCOCC(=O)N1CCC[C@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 257269196 MOZCLRKIJBKZQI-SFHVURJKSA-N 445.564 1.771 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1 408657872 POPCMNUPVRFCRV-HNNXBMFYSA-N 425.441 1.679 0 40 IDAB COc1cc2ncn([C@@H]3[C@@H](O)[C@H](NC(=O)Nc4cccnc4)[C@H]4CO[C@@H]3O4)c2cc1OC 952844918 STUGFUXGKWJGQA-LTFPLMDUSA-N 441.444 1.296 0 40 IDAB biogenic,in-vitro O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Br)cc1)C2)NC[C@H]1CCCO1 1547201010 HKGPAFDHCPEABW-CYBMUJFWSA-N 436.266 1.091 0 40 IDAB C[C@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)[C@@H](O)c1c(Cl)cccc1Cl 1630183194 YRIWNRUSZIWSSC-RMLUDKJBSA-N 434.301 1.400 0 40 IDAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5cc(C)ccc5OC)C[C@H]4C3)ncnc21 1888941701 FDLRGVTZTUNBKB-HZPDHXFCSA-N 442.545 1.920 0 40 IDAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 1889007124 MIKUGVNTSHELMJ-UHFFFAOYSA-N 432.436 1.910 0 40 IDAB COc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)c(OC)c1 2712523 QPFCENLEWIVJLI-UHFFFAOYSA-N 445.457 1.945 0 40 IDAB C[C@@H](NC(=O)[C@@H]1C[C@H](OCc2ccc(F)cc2)CCN1C(=O)c1cccn1C)C(N)=O 3839736 DAMBGOOGQUBNEL-BJZITVGISA-N 430.480 1.344 0 40 IDAB biogenic,in-vitro CCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCN(C(=O)OCC)CC3)ccc12 6529268 HXSUTYCYCPSKQJ-UHFFFAOYSA-N 445.472 1.244 0 40 IDAB COc1cc2c(c3oc(=O)c(CCC(=O)N(C)C[C@@H](O)CO)c(C)c13)CCC(C)(C)O2 8764760 ZDQXIUKRLJYSGU-CQSZACIVSA-N 433.501 1.958 0 40 IDAB biogenic COC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1C 8849279 ZMJIMDXGAPHOSW-UHFFFAOYSA-N 441.531 1.431 0 40 IDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 8994986 HLIVWBCNWLFFAL-PXNSSMCTSA-N 439.468 1.376 0 40 IDAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1nccs1 9184131 CTGMIVDFHSZKNX-STQMWFEESA-N 440.522 1.826 0 40 IDAB CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cc(OC)ccc2Cl)CC1 9184745 IXWYCZDCKBWMLR-UHFFFAOYSA-N 446.939 1.286 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccco1 9223626 CYRZNFQNGRRDPS-UHFFFAOYSA-N 431.514 1.421 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)NCCC(C)C)CC3)cc1 9708537 QYXQRAABTAVGGD-UHFFFAOYSA-N 437.562 1.497 0 40 IDAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)c1ccc3c(c1)OCO3)CC2 10705385 SXHZCWZYEAIDAF-UHFFFAOYSA-N 448.497 1.550 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)NCc3ccc(C)o3)CC1)O2 12087106 HRVXVJFGKVHCFD-QHCPKHFHSA-N 441.484 1.787 0 40 IDAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 12804130 HDZVPERNHQPUSW-LBPRGKRZSA-N 444.469 1.357 0 40 IDAB O=C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12972611 QTPMDWDOPZVGQO-LJQANCHMSA-N 444.509 1.539 0 40 IDAB CC(C)C[C@@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1=O 13059078 HCIFEQFNQVJEMX-LJQANCHMSA-N 442.969 1.960 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 13100171 PFZPCOYJEPDTEZ-NRFANRHFSA-N 442.497 1.583 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 14247456 DHMKSFKTGYQPLU-AWEZNQCLSA-N 449.533 1.114 0 40 IDAB COc1cccc(C(=O)NCCNC(=O)c2nc(Cn3cc(Br)cn3)no2)c1 15082402 SZGJCAXQBAQIIK-UHFFFAOYSA-N 449.265 1.245 0 40 IDAB COc1ccc(CN2CCc3c([nH]c([C@@H]4CCN(C(=O)c5cnn(C)c5)C4)nc3=O)C2)cc1 19290537 IQODIUPZDCQOQW-QGZVFWFLSA-N 448.527 1.700 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c(=O)c2C1 19572589 NFMNTUWDAZWTQT-GOSISDBHSA-N 448.520 1.523 0 40 IDAB Cc1nc([C@@H]2CCN(C(=O)COc3ccc(F)cc3F)C2)ncc1C(=O)N1CCOCC1 19757793 PBZHYLQPEOZDJN-OAHLLOKOSA-N 446.454 1.931 0 40 IDAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](c2ncc(C(=O)N3CCOCC3)c(C)n2)C1 19757807 XDZFBQCOQRFPGL-INIZCTEOSA-N 448.520 1.883 0 40 IDAB CC[C@@H](C)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 21137582 ADWAAGXGZKDRNI-CQSZACIVSA-N 440.518 1.316 0 40 IDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CN3CCOCC3)CC2)cc1 23674151 FJPLGJDUBRILPR-UYAOXDASSA-N 425.595 1.200 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H]3COc4ccccc4O3)CC2)cc1 24925529 KSTDSLCNWIKFEI-HXUWFJFHSA-N 432.498 1.805 0 40 IDAB CCOC(=O)c1ccc(N(CC(=O)NC)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 27915279 FAGRVLRJQGVFDX-UHFFFAOYSA-N 434.470 1.576 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccc(Cn2ccnc2)cc1 30219832 PXBBWOBLOOTBEX-XMMPIXPASA-N 429.480 1.941 0 40 IDAB O=C(NC[C@H]1COc2ccccc2O1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 30994882 DRYUMBSAVJCPLX-INIZCTEOSA-N 441.513 1.423 0 40 IDAB CCN(CC)CCOC(=O)[C@@H]1N2C(=O)[C@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C 31703488 AFKRZUUZFWTBCC-CMKODMSKSA-N 433.574 1.661 0 40 IDAB biogenic O=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 31810683 NLFRCMFAOAMPBL-OAQYLSRUSA-N 434.540 1.890 0 40 IDAB CCn1c(=O)c(C(=O)Cn2cccc(C(F)(F)F)c2=O)c(N)n(Cc2ccccc2)c1=O 31814216 UZLHAKAHRSABJD-UHFFFAOYSA-N 448.401 1.724 0 40 IDAB CC(=O)c1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4ccccn4)c(=O)nc2-3)cc1 32615358 ZISOIMDPUNPVKY-UHFFFAOYSA-N 429.436 1.794 0 40 IDAB CN(C)C(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 32913060 OJLOWWIKHSEEEN-UHFFFAOYSA-N 426.514 1.052 0 40 IDAB CC(C)[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C[C@@H]([C@@H]2C=C[C@H](C)C2)C1=O 35982627 WBHZECPWZFPNII-CSHUHZATSA-N 433.530 1.884 0 40 IDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc(O)cc1)(C(=O)OC)N[C@H]2c1ccccc1F 38140092 DVARYMCFDJNTDD-YWNPBTLJSA-N 426.444 1.951 0 40 IDAB Cc1ccc(NC(=O)N[C@@H]2CCCCNC2=O)cc1NC(=O)N[C@@H]1CCCCNC1=O 40149909 CISJWEXZCQCCSA-HZPDHXFCSA-N 430.509 1.575 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc(-c4cccs4)no3)C2)CC1 62022942 VKIAZWPSDGYDIN-CQSZACIVSA-N 439.563 1.114 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(Cc2cnc(OC)nc2)C[C@@H]1C(=O)N(C)C 72334378 SIINKVBXWPEEJG-XXBNENTESA-N 439.516 1.129 0 40 IDAB CNC(=O)c1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5ccccc5[C@H]4[C@@H]3C2=O)cc1 79478207 WOBLPFFOUXIMJB-ZOBUZTSGSA-N 435.461 1.524 0 40 IDAB COc1ccc(COC(=O)c2cccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 83947373 CBNPMLAVQJIFJW-INIZCTEOSA-N 439.511 1.518 0 40 IDAB Cc1nnc(N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)s1 101656118 CWXASFDLWVPAQF-INIZCTEOSA-N 438.391 1.567 0 40 IDAB Cn1nc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)ccc1=O 257287513 PQHPXRJVWMWPAI-LJQANCHMSA-N 443.891 1.992 0 40 IDAB Cc1cn([C@@H]2CN(C(=O)CCCc3nc4cc(Cl)ccc4[nH]3)C[C@H]2O)c(O)nc1=O 257317159 VIPLFZXUXFPYTG-HZPDHXFCSA-N 431.880 1.554 0 40 IDAB O=C(c1ccco1)N1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@@H]2C1 306124581 BTXCRARMCKWSKO-NVXWUHKLSA-N 426.454 1.546 0 40 IDAB COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1NC(=O)c1ccc(C)cc1 408589756 FIQSUSQTZUVFBK-UHFFFAOYSA-N 433.530 1.866 0 40 IDAB O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1N2Cc1ccccc1 575420397 HHOVPOKBRILLBN-ZDNVTZCJSA-N 446.594 1.336 0 40 IDAB Cc1cc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)nc(N2CCCC2)n1 1570000230 SCMJZCAFDGUQNS-AZUAARDMSA-N 441.507 1.345 0 40 IDAB COC(=O)c1cc(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)cc(C(=O)OC)c1 3497540 ZGPNSYYSKCJJRU-QGZVFWFLSA-N 429.381 1.582 0 40 IDAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H]4CS(=O)(=O)C[C@@H]4O)c(C)c3cc2c1C 8765226 CWLPYTGPRICPQL-IRXDYDNUSA-N 433.482 1.671 0 40 IDAB biogenic O=C(Nc1ccccc1N1CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9643133 YZIYLLBJBIDDJE-UHFFFAOYSA-N 431.514 1.796 0 40 IDAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 9806887 MOUXEBFOXKOCGS-HNNXBMFYSA-N 441.962 1.987 0 40 IDAB O=C(Nc1nnc(C2=COCCO2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1 10186859 NPKCNWADCGRUQT-UHFFFAOYSA-N 426.476 1.516 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 13097707 IRUCDWOXOBNCPF-ZDUSSCGKSA-N 425.532 1.512 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1 13134641 IEAHQIULUUENCJ-UHFFFAOYSA-N 430.404 1.869 0 40 IDAB CCOC(=O)[C@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)NC(=S)N[C@@]1(O)C(F)(F)F 13482799 OENWNEXPHLZYGC-HSMVNMDESA-N 438.424 1.661 0 40 IDAB O=C(Cn1c(=O)n2nc(-c3cccnc3)nc2c2c3c(sc21)CCC3)N1CCOCC1 13691873 MFXJMJIPMLSTTJ-UHFFFAOYSA-N 436.497 1.515 0 40 IDAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Cc1n[nH]c(=O)c2ccccc12 14246488 SNXKIOGTPFBIHQ-UHFFFAOYSA-N 433.512 1.268 0 40 IDAB CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)C[C@H](C)n4nc(C)cc4C)C3)[nH]c2=O)C1 19572695 ZDQPUFXOMXVUQJ-RDJZCZTQSA-N 426.521 1.455 0 40 IDAB CN1CCN(C(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)C[C@@H](Cc2ccccn2)C1=O 19696850 ZFVIWGSSEXMSBM-GOSISDBHSA-N 435.528 1.364 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@H]3CC=CCC3)CC1)C2=O 19699376 KFDMDFFPDZJKNC-KRWDZBQOSA-N 430.549 1.903 0 40 IDAB CN(C)CC(=O)N1Cc2cn(C)nc2[C@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)C1 19701252 QCEMYIPWRARRDO-GOSISDBHSA-N 426.496 1.387 0 40 IDAB Cc1nc([C@@H]2CCCN2C(=O)CNS(C)(=O)=O)ccc1C(=O)NCc1ccc(F)cc1 19711216 HNZYCLRJTOSVHR-IBGZPJMESA-N 448.520 1.672 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 20016098 LQGOFXUNBNCUSP-ZDUSSCGKSA-N 438.502 1.704 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)cc1 23186809 RHUPJUVTQBCYDU-GOSISDBHSA-N 443.591 1.078 0 40 IDAB C[C@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(-n2cncn2)cc1 24651490 YTVYRNKSTLXCIQ-INIZCTEOSA-N 441.513 1.779 0 40 IDAB CCOC(=O)C1=C(CN2CCC[C@H]2C(=O)NCc2ccco2)NC(=O)N[C@@H]1c1ccco1 27143543 KKZZSMQOEQDIOB-QFBILLFUSA-N 442.472 1.825 0 40 IDAB CCOC(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 28660920 DLRYOAQMPPFVAY-QGZVFWFLSA-N 439.534 1.495 0 40 IDAB CCOC(=O)[C@H](CNS(=O)(=O)c1cc(NC(C)=O)ccc1OC)Cc1cccnc1 58154182 VMXBRJRFYBRVNS-INIZCTEOSA-N 435.502 1.749 0 40 IDAB CC(=O)c1ccc(N2CCN(CC(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 89292068 BECXRYYXFXIRKN-SFHVURJKSA-N 437.537 1.328 0 40 IDAB COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(Cc2nnc3n(C)c(=O)c4ccccc4n23)C1=O 89741015 KSJGBLHTQRQOMB-HSZRJFAPSA-N 444.451 1.483 0 40 IDAB CC[C@@H](C(=O)Nc1cnn(C[C@@H](O)CN(C)OC)c1)n1nnc(-c2ccc(Cl)cc2)n1 95456513 CQBKTHVVZNIWPF-IRXDYDNUSA-N 448.915 1.634 0 40 IDAB C[S@](=O)C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1 95461434 BOXLPKGQFPUVEI-RBSBEOHCSA-N 449.554 1.302 0 40 IDAB CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCN(S(C)(=O)=O)CC1 95976772 SYMZPXHHOGHSHJ-UHFFFAOYSA-N 427.548 1.601 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2)cc1 101494090 CEVOSYZYPKOCBS-FUHIMQAGSA-N 442.603 1.773 0 40 IDAB Cc1ccc(C)c(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 224467493 REDXFJXSXDBLBA-UHFFFAOYSA-N 448.541 1.898 0 40 IDAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)N3CCOCC3)ccc21 225676586 NEXJKDCNCMAERD-UHFFFAOYSA-N 433.511 1.873 0 40 IDAB Cc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC(C)(C)C)N(C3CCCC3)C(=O)[C@H]24)no1 245227373 KSBRUNIMBIHUGB-URAQMDAQSA-N 442.516 1.929 0 40 IDAB CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccccc3OC)C2)nc2c1CN(C(C)=O)CC2 257204123 ATDDDPMSHKDTAG-OAHLLOKOSA-N 445.545 1.610 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@@H]2c2ccc(CNC(=O)CO)cc2)cc1 257221638 DPYHHHVZZLXZEW-FGZHOGPDSA-N 425.529 1.308 0 40 IDAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 408592174 LJRDLHQXYUHNPI-CXUHLZMHSA-N 439.424 1.998 0 40 IDAB CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1Cc1ccccc1 670135066 IIPPZPQCXRHHFY-UHFFFAOYSA-N 425.537 1.802 0 40 IDAB Cc1cc(N2C[C@@H]3CN(C(=O)C[C@@H]4CSc5nc(C)c(C)c(=O)n54)C[C@H]3C2)ncn1 1889404704 MWCLIBCNZWUWPP-BRWVUGGUSA-N 426.546 1.590 0 40 IDAB O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(C3CCCC3)[C@@H](C(=O)NC3CCCCC3)[C@]23C=C[C@H]1O3 4895704 TUORRBUWABAHCA-UEHPKLIBSA-N 427.545 1.807 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 8602562 XVGNADCCCZEHRJ-VIYGXFRKSA-N 438.429 1.457 0 40 IDAB biogenic CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CNC(=O)COc1ccccc1 8625512 YOMKCEVXPRTUMI-UHFFFAOYSA-N 447.875 1.475 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)O 8995269 NKLARHDZJWJDSF-SKDZVZGDSA-N 446.504 1.249 0 40 IDAB biogenic COc1ccc(NCCn2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c(OC)c1 9421309 UZYUOZHQOXTWIE-UHFFFAOYSA-N 426.477 1.433 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccccc1N1CCCC1=O 9502911 ODRAYCSTQDCCIF-HSZRJFAPSA-N 434.452 1.982 0 40 IDAB CCOC(=O)CN1C(=O)[C@]2(C(C(=O)OCC)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 9695240 SAJKIRDNQSYBRS-OAQYLSRUSA-N 426.429 1.040 0 40 IDAB CN(C)CCCNC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 9741434 GBAQOLMVPSRFFM-QGZVFWFLSA-N 441.550 1.586 0 40 IDAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(c2ncccn2)CC1 9963790 RMVPHJHJRDUFMZ-UHFFFAOYSA-N 427.486 1.511 0 40 IDAB O=C(Cc1ccccc1)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OCCc1ccccc1 12137505 YYKUCBGDZYJHAU-IBGZPJMESA-N 439.537 1.607 0 40 IDAB CN(CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)Cc1cnn(-c2ccccc2)c1 12569217 ZASNNZQBNQPLGS-HSZRJFAPSA-N 432.484 1.803 0 40 IDAB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(Cl)cc1 13756732 MEUXRWPSGKEJIB-OKZBNKHCSA-N 443.836 1.637 0 40 IDAB Cc1csc2c([C@H]3CCCN(C(=O)CCC(=O)N4CCC[C@H]4C(N)=O)C3)nc(C)n12 19240400 OILLKQDLKPSJOZ-HOTGVXAUSA-N 431.562 1.975 0 40 IDAB CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CCO1 19702825 LAMJMXDZRNLQGS-HNNXBMFYSA-N 449.558 1.930 0 40 IDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C 20428141 HESPUILTNSQHIA-SFHVURJKSA-N 434.452 1.233 0 40 IDAB O=C(NC[C@@H]1CCCO1)c1ccc2c(=O)c(S(=O)(=O)c3ccccc3)c(O)[nH]c2c1 20530014 ZGJIEMRIKRBRNY-AWEZNQCLSA-N 428.466 1.975 0 40 IDAB C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCCC1 20822221 GORPBNYZKORCSS-BONVTDFDSA-N 439.317 1.187 0 40 IDAB CSCC[C@H](C(=O)Nc1ccc(-n2cnnn2)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 21675868 ZNIHYABQGJYKQQ-YESZJQIVSA-N 428.518 1.898 0 40 IDAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c(=O)[nH]c1=O 21892741 MIZCORLNRKQESF-UHFFFAOYSA-N 447.499 1.897 0 40 IDAB CN(Cc1ccccc1)C(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O 22378047 PAKYJVGUBYKSHR-UHFFFAOYSA-N 439.559 1.362 0 40 IDAB O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)NCc1ccc2c(c1)OCO2 22788149 KRKMAYSDIOFOIY-UHFFFAOYSA-N 444.919 1.941 0 40 IDAB O=C(CN1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1)N1CCCCCC1 22977213 FDIJLKDGZZWAMK-UHFFFAOYSA-N 442.612 1.597 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23135195 KJMXNXSELGAPBB-UHFFFAOYSA-N 425.424 1.880 0 40 IDAB Cc1ccc(-n2ccnc2SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1C 23138120 QWYAMYJSTRBRIE-IBGZPJMESA-N 448.614 1.913 0 40 IDAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 24489192 YBYDCMCJYBMRTH-UHFFFAOYSA-N 434.525 1.829 0 40 IDAB O=C(Cn1nnn(-c2cccs2)c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 29975013 WUKMIFWAIRXHKO-UHFFFAOYSA-N 438.435 1.858 0 40 IDAB O=C(NCC1CCN(c2ncccn2)CC1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 49522691 VKLDJOUFQCPHKN-UHFFFAOYSA-N 448.527 1.673 0 40 IDAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CCCO1 56945256 SIITVMGMRMPQQN-UXHICEINSA-N 426.517 1.554 0 40 IDAB COC(=O)c1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc(C)c1C 58163041 VSCUGAQULYYJAN-UHFFFAOYSA-N 447.513 1.826 0 40 IDAB C[C@@H](C(=O)NCCc1ccccc1F)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326364 PPHVNMZMDSFLHS-WNSKOXEYSA-N 439.491 1.832 0 40 IDAB O=C(NCC(=O)N1CCC[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1)c1ccccc1 79488517 HGUOPZQUHFUFBC-SKPFHBQLSA-N 427.545 1.809 0 40 IDAB COc1cccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)c1 98213207 ZRIUNQVXRKDRQB-UHFFFAOYSA-N 439.447 1.165 0 40 IDAB CN1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3O2)CC1 253595845 JUUQJISEWBASJT-DDDCRWRYSA-N 426.561 1.695 0 40 IDAB Cc1nc2cc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cc(C)c(O)nc4=O)C3)ccc2[nH]1 257232295 GKGKRHFKQJMRPH-XMSQKQJNSA-N 425.489 1.599 0 40 IDAB CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 257297427 RHFDHPWYABPTAU-DEOSSOPVSA-N 440.544 1.392 0 40 IDAB CN(CC1(O)CCN(c2cccc3nccn23)CC1)C(=O)c1ccc(OCC(=O)O)cc1 257316396 VFKMLHPHFUNICO-UHFFFAOYSA-N 438.484 1.901 0 40 IDAB COC(=O)COc1ccccc1/C=C1\SC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O 409212382 QWZKWUOXNXXDDQ-CIKBWMHTSA-N 434.470 1.570 0 40 IDAB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(I)cc1)[C@H]1C=C[C@@]2(C2OCCO2)O1 409275691 LJKAEFOVLAMOEG-IPJQOSJUSA-N 439.205 1.477 0 40 IDAB Cn1ccc2ccc(NS(=O)(=O)c3ccc(NS(C)(=O)=O)c(F)c3)cc2c1=O 516977326 RWBGSYRAILKONA-UHFFFAOYSA-N 425.463 1.850 0 40 IDAB O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCS(=O)CC1 553007634 IDCYOKWXVSQHHI-LJQANCHMSA-N 436.530 1.532 0 40 IDAB C[C@]1(c2ccc(C(=O)N3C[C@H](C[C@@H]4COCC(=O)N4)c4ccccc43)cc2)NC(=O)NC1=O 554656825 FCGVXBWCLUSFHF-KPNPRUKOSA-N 448.479 1.390 0 40 IDAB Cc1nccc(O[C@H]2CCCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)C2)n1 575609520 MQWNTLGYGKOMJF-KRWDZBQOSA-N 428.514 1.852 0 40 IDAB CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)CCc2cnn(C)c2C)CC1 585294340 YZRWHOLGUYWTAX-UHFFFAOYSA-N 434.537 1.082 0 40 IDAB CN(Cc1cnc2n1CCOC21CCN(C(=O)Cn2ccccc2=O)CC1)CC1CC1 1565555699 ODKRYFBXPUZQBE-UHFFFAOYSA-N 425.533 1.435 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5cn(C(C)C)cn5)C[C@H]4C3)nn12 1888926456 MIXSKDKBLPBDNO-GASCZTMLSA-N 430.538 1.221 0 40 IDAB Cc1cc(C(=O)NC[C@H]2OC[C@@H](n3ccc(O)nc3=O)[C@@H]3OC(C)(C)O[C@@H]32)ccc1F 2037977856 QHXRGLKWIUCYCP-XYVMCAHJSA-N 433.436 1.286 0 40 IDAB Cc1ccc(-n2nnnc2SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 3348089 SQSOGMBZQZZZSD-HXUWFJFHSA-N 437.485 1.561 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 3388500 PZBCXVHXLOXEIJ-UHFFFAOYSA-N 437.543 1.051 0 40 IDAB COc1ccccc1-c1nc(SCCN2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 8900211 GPDULBXNFXMPLW-UHFFFAOYSA-N 427.530 1.891 0 40 IDAB O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)NCC(F)(F)F 8946052 XDRJHASYEHHHTF-UHFFFAOYSA-N 439.437 1.619 0 40 IDAB Cc1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1-c1ccc(F)cc1 12573069 QOIAWJKRQMGXIN-UHFFFAOYSA-N 428.449 1.643 0 40 IDAB Cc1ccc(/C=C/C(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)o1 12858300 WQGAJWPLYZWZFY-ZHACJKMWSA-N 438.440 1.288 0 40 IDAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(CN2C(=O)CNC2=O)cc1 14244979 VJUYBRCPORWQEG-FQEVSTJZSA-N 440.475 1.681 0 40 IDAB O=C(NCc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 15935858 XHNWCEFTLFADJV-INIZCTEOSA-N 444.492 1.519 0 40 IDAB CCc1ccc2c(c1)[C@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15968075 QYGAWXRFFNIKCQ-BINBFKAUSA-N 446.507 1.088 0 40 IDAB biogenic COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)C4CCN(C(C)=O)CC4)C3)c2N)cc1 19016704 WABQCXAJMBHSTL-QGZVFWFLSA-N 439.516 1.753 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCC[C@@H](C)C2)c2c(C(N)=O)nc(-c3cccs3)nc21 19524218 MLYHCHUBXHSSKR-GFCCVEGCSA-N 428.518 1.699 0 40 IDAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)CN2CCNC(=O)C2)n1 19689862 MNYWIGGOBHBBSX-GOSISDBHSA-N 442.951 1.958 0 40 IDAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)CNC(C)=O)n1 19697423 JEGQNOGMHRIIAG-AWEZNQCLSA-N 428.468 1.272 0 40 IDAB CCc1nnsc1C(=O)N1Cc2cn(C)nc2[C@H](C(=O)NCc2ccc(OC)cc2)C1 19701546 RTDUDIWNVMWLOT-MRXNPFEDSA-N 440.529 1.899 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(CN4CCOCC4)c3)CC2)cc1 19932162 HKKLXUFYXBWRNF-UHFFFAOYSA-N 443.569 1.974 0 40 IDAB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 23074732 AABNFIZJTBTKBI-UHFFFAOYSA-N 427.457 1.250 0 40 IDAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1F 25763665 FURFGKUPWNKBTQ-GOSISDBHSA-N 435.452 1.603 0 40 IDAB CSc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1C(=O)N1CCCCCC1 26120871 GWCKWNLRPZLECJ-UHFFFAOYSA-N 425.576 1.887 0 40 IDAB Cn1ncc2c(N3CCN(C(=O)CCC(=O)c4ccc5c(c4)OCCO5)CC3)ncnc21 32898871 WULAQUXIYRNKJB-UHFFFAOYSA-N 436.472 1.446 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)c1C 35268005 YFNGNSUWGGHXIP-UHFFFAOYSA-N 438.594 1.851 0 40 IDAB Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1S(C)(=O)=O 40145176 XRTKLZFIVHXLLZ-UHFFFAOYSA-N 431.562 1.674 0 40 IDAB Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC1CCN(CC(N)=O)CC1 40154898 SPFCPNZZUSILJK-UHFFFAOYSA-N 434.338 1.931 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](CCc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 40435024 WORXVQFPXMAEAC-MLBCHFTJSA-N 436.457 1.745 0 40 IDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 42379979 HWNUFBJMPZWXSN-CQSZACIVSA-N 439.428 1.112 0 40 IDAB CNS(=O)(=O)c1cccc(CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)c1 48331761 WYOUZAFFEJBSOA-UHFFFAOYSA-N 427.486 1.521 0 40 IDAB NC(=O)CNC(=O)c1cccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)c1 59253029 KAGCMXMKEATNQC-UHFFFAOYSA-N 448.273 1.617 0 40 IDAB Cn1c(CN2CCC([C@H]3CCCCCN3C(=O)C3CCOCC3)CC2)cc(=O)n(C)c1=O 69966800 YBFNUIWBBNNRLW-OAQYLSRUSA-N 446.592 1.494 0 40 IDAB COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnn(CC(=O)OC)c1 72301892 QSJBKNILURIVJZ-UHFFFAOYSA-N 437.396 1.901 0 40 IDAB O=C(CC[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NCCc1nnc2ccccn12 96223923 IGVKTNBARIUTSU-KRWDZBQOSA-N 438.463 1.470 0 40 IDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)s1 224944674 PAFCNCKLMKCGHA-UHFFFAOYSA-N 439.519 1.406 0 40 IDAB O=C(c1cc2n(n1)CCCC2)N1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1 239808035 KEWZYZXSZBJPHA-UHFFFAOYSA-N 429.502 1.648 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@H](O)[C@H]4CCCC[C@H]43)CC2)Oc2ccccc21 247847400 FITYWQWDWQCQAH-NARGUJOISA-N 441.528 1.670 0 40 IDAB CC(=O)N1CCC(N2CCN3[C@H](CN(C(=O)NCc4ccccc4)CC3(C)C)C2)CC1 253409125 ZMNGEZSKRHWKCW-QFIPXVFZSA-N 427.593 1.988 0 40 IDAB biogenic,in-vitro COC(=O)[C@@H](OCC(=O)OCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 263583547 JENGVTGGMANBDH-HXUWFJFHSA-N 430.409 1.575 0 40 IDAB O=C1CCCN1C[C@@H]1CC[C@]2(COCCN(Cc3ccccc3N3CCOCC3)C2)O1 306130924 JSTFAAKNGCUWMG-URXFXBBRSA-N 429.561 1.896 0 40 IDAB COc1c2c(c(CNC(=O)c3c(C)cc(C)n(C)c3=O)c3c1C(=O)N(C)CC3)OCO2 604405969 VDSQQFIPZHDVJK-UHFFFAOYSA-N 427.457 1.298 0 40 IDAB biogenic Cc1c(NC(=O)[C@H](C)OC(=O)CNC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 3234187 CSWZMGCSVJBOKX-INIZCTEOSA-N 436.468 1.785 0 40 IDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1C(F)(F)F 8749329 UECYHBJWKCMHKH-LLVKDONJSA-N 428.454 1.019 0 40 IDAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2ccccc21 9832067 RROVDQREIPTIDY-FQEVSTJZSA-N 445.497 1.460 0 40 IDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)OCc1cc(=O)n2c3c(sc2n1)CCCC3 9957803 AXBDYPMEDOHUBP-UHFFFAOYSA-N 441.465 1.837 0 40 IDAB Cn1c(=O)c2c(SCC(=O)N3CCCCC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O 11758171 BLUSYFAYAFMLTK-UHFFFAOYSA-N 443.504 1.938 0 40 IDAB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12984086 FYOUJMWWDWDTSH-QWHCGFSZSA-N 449.460 1.396 0 40 IDAB O=S1(=O)C[C@H](N2CCN(c3ccccc3F)CC2)[C@@H](S(=O)(=O)c2ccccc2)C1 13371301 TYDWMYGJZGRWKC-PMACEKPBSA-N 438.546 1.587 0 40 IDAB COc1ccccc1CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 13692953 ITBGFHBFRMXKOY-UHFFFAOYSA-N 438.527 1.876 0 40 IDAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC[C@@H]1CCCO1 14245979 ZCMKYJNPFNMXSS-INIZCTEOSA-N 443.953 1.248 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)c(C)c1 15350932 JTCIIXMRONDCGY-UHFFFAOYSA-N 443.529 1.418 0 40 IDAB C[C@@H](NC(=O)c1cccc2ncccc12)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1 19575431 YKHPYCYFBJOFOU-HUUCEWRRSA-N 431.514 1.205 0 40 IDAB COc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCC(N)=O 20228354 HRBURIYXLKJQLL-UHFFFAOYSA-N 427.910 1.192 0 40 IDAB COc1ccc(CCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 22372496 VAQAZNCAAOZKBJ-UHFFFAOYSA-N 434.514 1.981 0 40 IDAB COc1cc(OC)nc(NC(=O)COC(=O)c2ccccc2SCC(=O)NC2CC2)n1 22521247 OODSOADQPBTAEP-UHFFFAOYSA-N 446.485 1.660 0 40 IDAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 23674849 BPNRVOONFJCOQO-NRFANRHFSA-N 447.601 1.828 0 40 IDAB COCCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O 26099875 UHNZMEPBXCXIMB-UHFFFAOYSA-N 432.590 1.882 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nnc(-c4ccn(C)n4)o3)C2)cc1 36700469 WVNDZWXACGVVHY-ZDUSSCGKSA-N 446.489 1.518 0 40 IDAB COc1ccc(OC)c(N(CC(=O)NCc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 38772409 QRGYRDIMBFFCEE-UHFFFAOYSA-N 438.502 1.803 0 40 IDAB Cc1cc(C)n2ncc(C(=O)OCc3cccc(S(=O)(=O)N4CCOCC4)c3)c2n1 40060184 DYIZJELRJVAMBE-UHFFFAOYSA-N 430.486 1.724 0 40 IDAB CS(=O)(=O)c1snnc1C1CCN(C(=O)c2cnc(N3CCCCC3)nc2)CC1 72392502 ZGWYBWNAOKDJLJ-UHFFFAOYSA-N 436.563 1.742 0 40 IDAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 72394880 VAVVDVFLLFAHTF-QFBILLFUSA-N 439.512 1.928 0 40 IDAB CCOCCS(=O)(=O)NCC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 79100874 LKNLNMUAFFWGME-UHFFFAOYSA-N 428.385 1.023 0 40 IDAB O=C(NCC(=O)N1CCC[C@@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1)c1ccccc1 79488525 HGUOPZQUHFUFBC-NMMYMHLASA-N 427.545 1.809 0 40 IDAB O=C(NCc1n[nH]c(=O)[nH]1)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 95409673 AUARQIRXNHMWNC-UHFFFAOYSA-N 432.160 1.390 0 40 IDAB COc1ccsc1S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 95415193 PXWURMKRIAYVON-OAHLLOKOSA-N 429.951 1.943 0 40 IDAB COc1ccc2[nH]c(=O)c([C@H](CC(=O)N3CCOCC3)c3oc(C)cc(=O)c3O)cc2c1 96114322 BSFDTVMISSAHEF-INIZCTEOSA-N 440.452 1.885 0 40 IDAB biogenic COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(C(=O)OC)cc2)o1 96221884 BACKOPBXLGDDLC-QGZVFWFLSA-N 431.441 1.659 0 40 IDAB biogenic NC1=C2C(=O)Oc3cc(O)ccc3[C@H]2[C@@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]2S1 101411427 LBTMGQXXYSQZIH-DZKIICNBSA-N 438.417 1.568 0 40 IDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 223670644 SYPPXDSABOXHME-UHFFFAOYSA-N 444.556 1.675 0 40 IDAB CCOC(=O)c1cnc(NC(=S)NCc2ccc(S(=O)(=O)N(C)C)cc2)nc1C 225225240 SRFDIOUERYVZDC-UHFFFAOYSA-N 437.547 1.699 0 40 IDAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3CN3CCOCC3)ccc21 225683493 WCTYXWPZSBJMAA-UHFFFAOYSA-N 433.555 1.911 0 40 IDAB CNC(=O)[C@@H]1CN(C(C)C)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 257218464 DDGCVEOALQOQMT-KRWDZBQOSA-N 441.498 1.984 0 40 IDAB Cc1ccc(C(=O)N2CCC3(CCc4nnc(C(=O)NCCN(C)C)n4C3)CC2)s1 306143998 YSYWWFMBLDVARX-UHFFFAOYSA-N 430.578 1.808 0 40 IDAB CCOC(=O)COc1ccccc1/C=C1\SC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O 409214206 WWCFPPYPRDYLEW-DISPHTKASA-N 448.497 1.960 0 40 IDAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)n1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1 599121063 FPWXRXDXPYXKHG-DNVCBOLYSA-N 435.488 1.545 0 40 IDAB CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(nc1O)CCC[C@H]2O 1566433950 AXTIJLSCEYSHRH-VQTJNVASSA-N 426.517 1.176 0 40 IDAB Cc1cc(N2C[C@@H]3CN(C(=O)c4ccc(S(=O)(=O)N5CCCC5)cc4)C[C@H]3C2)ncn1 1775975149 ANOGUAXSKWFZCK-RTBURBONSA-N 441.557 1.778 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCCC1)OCCO3 6445234 ADMGOFUADQNYAL-MGPUTAFESA-N 438.488 1.650 0 40 IDAB O=C(CNS(=O)(=O)Cc1ccccc1)NCC(=O)Nc1cccc(C(F)(F)F)c1 8748933 KESFKZAKOJKLNF-UHFFFAOYSA-N 429.420 1.880 0 40 IDAB Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1=NCCS1 9263933 DJFOFEPROABUBE-UHFFFAOYSA-N 438.966 1.752 0 40 IDAB CCCn1c(=O)n(CC(=O)NC[C@H]2CCCO2)c(=O)c2c3c(sc21)COC(C)(C)C3 9410412 SRUWAZLHIMTLTP-CYBMUJFWSA-N 435.546 1.781 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCCc2ccco2)c1 9807497 HMWBIDMDNFZERM-QGZVFWFLSA-N 433.530 1.525 0 40 IDAB COc1ccc(C(=O)NCCS(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 10705373 IOYDCWINSYBHQD-UHFFFAOYSA-N 434.514 1.830 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](c2cnn(C)c2C)NS(=O)(=O)N1C 12130990 SAZVZMCCJHAYQI-HIFRSBDPSA-N 427.914 1.609 0 40 IDAB CCOC(=O)C1=C(COC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)NC(=O)NC1 12975499 UGGPZVISBIPUNA-UHFFFAOYSA-N 443.456 1.616 0 40 IDAB O=C1NC(=S)NC(=O)C12[C@@H](c1ccc(F)cc1)NC(=S)N[C@@H]2c1ccc(F)cc1 13110832 UDWDDKIXDYGXST-ZIAGYGMSSA-N 432.477 1.742 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1=O 13120982 KIHIHQLKKXEFOM-LAUBAEHRSA-N 433.530 1.412 0 40 IDAB CCn1nnc2c(N3CCN(CC(=O)Nc4cc(Cl)ccc4OC)CC3)ncnc21 13534117 JCJOYZLHRNEOKS-UHFFFAOYSA-N 430.900 1.664 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)C(=O)O 13630013 NVUYWGPFDXYIHC-XUJVJEKNSA-N 440.547 1.708 0 40 IDAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)NC(=O)NCc1ccco1 15546081 OBFVVLUHMRUYAC-LJQANCHMSA-N 426.473 1.886 0 40 IDAB Cc1ccccc1CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 19237064 MJLPHIXCYKTRCP-SFHVURJKSA-N 430.530 1.302 0 40 IDAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2cccnc2)CC1 19238556 RFEPZBDNWCMWEC-UHFFFAOYSA-N 431.543 1.999 0 40 IDAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3N4)ccc21 19573077 VTIQCJGHTHPAMG-UHFFFAOYSA-N 440.525 1.797 0 40 IDAB CN1CCc2nc([C@@H]3CCCN(C(=O)COc4ccc5c(c4)OCCO5)C3)nc(O)c2C1 19590243 RYDQCZQDXLAIMU-OAHLLOKOSA-N 440.500 1.726 0 40 IDAB C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 19705782 LKXIZGKWAAHDRW-SFHVURJKSA-N 430.549 1.228 0 40 IDAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(S(=O)(=O)N(C)C)C3)nc2C)c1 19757906 SEPWDGKVYCACCB-INIZCTEOSA-N 433.534 1.319 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 20566673 BKZUKLLYKBUEHA-PBQROFAYSA-N 433.508 1.913 0 40 IDAB COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N(C)C)cc1)N(C)CC3)OCO2 20758552 SFOLWLDSCPEKNI-GOSISDBHSA-N 436.472 1.679 0 40 IDAB biogenic CC(C)C(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 21682558 OXNXYEZZYHNINF-UHFFFAOYSA-N 447.513 1.761 0 40 IDAB O=C(CNC(=O)c1cccc(Br)c1)NCc1ccnc(N2CCOCC2)c1 25290719 OMAHEWJPVJIUOG-UHFFFAOYSA-N 433.306 1.727 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2NS(C)(=O)=O)c1 32809828 JSYAAQBFYDFQGW-UHFFFAOYSA-N 425.532 1.982 0 40 IDAB C[C@H]1CN(C(C)(C)CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 36398712 WIRATMBBXXVZMW-GJZGRUSLSA-N 431.986 1.965 0 40 IDAB C[C@@]1(NC(=O)CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)CCS(=O)(=O)C1 40149615 RAOWCTXLLFDFEP-SCLBCKFNSA-N 428.942 1.079 0 40 IDAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@H]3CCCO3)c2=O)c1 57426823 LHHYZMYCRMVVJB-MRXNPFEDSA-N 429.498 1.577 0 40 IDAB CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 57730140 ORYJNONGDYMCSG-LBPRGKRZSA-N 429.506 1.150 0 40 IDAB COc1ccccc1CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326329 DHFHVDXZESJFGG-CMJOXMDJSA-N 437.500 1.659 0 40 IDAB CCn1cc(C(=O)N2CCc3nc(C4CCN(C5CCOCC5)CC4)[nH]c(=O)c3C2)cn1 72398884 JWGLZMUCDZCUJE-UHFFFAOYSA-N 440.548 1.543 0 40 IDAB NC(=O)C1CCN(C(=O)CNC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 72400518 QYWKMLPEBMWFTL-UHFFFAOYSA-N 442.347 1.549 0 40 IDAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCSC[C@@H]2S(C)(=O)=O)C1 79093173 JYLUCTRBZZCZHR-HOTGVXAUSA-N 425.532 1.131 0 40 IDAB CCN1C[C@@]2(CC1=O)CN(C(=O)NCc1ccc(OC)cc1)CCN(C(=O)N(C)C)C2 96262157 JTKRGZKNHDMEQN-QFIPXVFZSA-N 431.537 1.443 0 40 IDAB CC(C)NC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CCC(N(C)C)CC4)cn23)C1 96267585 MYWXHMJSZBAAQQ-MRXNPFEDSA-N 427.553 1.803 0 40 IDAB Cn1ncc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc(Br)n2)(C4)C3)c1C(N)=O 101115121 LVOVWXCZVAOVBB-DDCRILKWSA-N 448.325 1.807 0 40 IDAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3c(C)nn(C)c3C)c(=O)n12 105544029 QWJJUGWLQHRWNT-OPHHXMKESA-N 438.509 1.209 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c1 225605704 QHZUJNDNVVXBQY-KRWDZBQOSA-N 434.470 1.831 0 40 IDAB O=C(O)[C@H]1CC(c2ccc(F)cc2)=NN1/C=c1\sc2nc(-c3ccncc3)nn2c1=O 256028189 YCGSSCUNJKSZNH-CCAPLTMGSA-N 436.428 1.372 0 40 IDAB CCn1c(CCCC(=O)N(C)[C@@H]2CC[C@@H](N3CCNC(=O)C3)[C@@H]2O)nc2ccccc21 257313137 UREBSSDXEFTFOX-DNVFCKCGSA-N 427.549 1.161 0 40 IDAB COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 516577920 WTUQFZDVUPVDOF-DYVFJYSZSA-N 434.518 1.400 0 40 IDAB Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 540620649 JQGQDHAHVXVYOW-GFCCVEGCSA-N 445.419 1.785 0 40 IDAB O=C(NC[C@]1(O)CN(Cc2ccc(OCc3ccccn3)cc2)C[C@H]1O)c1cscn1 585271253 VNIFVGZTSWYBHN-IRLDBZIGSA-N 440.525 1.455 0 40 IDAB CC(C)NC(=O)N1C[C@@H]2CC[C@@H](CNC(=O)CCS(C)(=O)=O)N2Cc2ccccc21 1565556749 ZXZAYAFAQLXGDR-ROUUACIJSA-N 436.578 1.509 0 40 IDAB Cc1nc(N2C[C@H]3CN(C(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C[C@H]3C2)nc(O)c1F 1888897861 RFZPUYDWEZWTEL-GASCZTMLSA-N 449.508 1.088 0 40 IDAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCC1 859429 PBFURKMOUOWFGW-QUCCMNQESA-N 442.578 1.580 0 40 IDAB CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@@H]1c1ccc(O)c(OC)c1 2504039 UPGQFRBVQZRMBV-QMTHXVAHSA-N 448.497 1.970 0 40 IDAB O=C(NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 3027799 GWEAJEUKUIHOBR-KRWDZBQOSA-N 443.953 1.642 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCCC1)OCCO3 6445197 ADMGOFUADQNYAL-QRWLVFNGSA-N 438.488 1.650 0 40 IDAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNS(C)(=O)=O)n(C)n2)cc1OC 8635520 PKQDUZJAOQUKHZ-UAGQMJEPSA-N 434.562 1.831 0 40 IDAB biogenic,in-vitro CN(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 9829574 YZXWWFJBVNDXAB-LJQANCHMSA-N 431.512 1.076 0 40 IDAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)c2cscn2)CC1 12133475 XDEMASYKOINDAI-UHFFFAOYSA-N 437.547 1.193 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(n3c(=O)[nH]c4ccccc43)CC1)C2=O 12592300 FFCMNLAYBIJKFU-CMJOXMDJSA-N 439.516 1.994 0 40 IDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12695726 RFJBCTSTJARCCF-UHFFFAOYSA-N 445.497 1.958 0 40 IDAB CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 12892232 PGFLKXBWOMFGJG-KRWDZBQOSA-N 428.576 1.439 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 13011604 CJSUHACDYDCNGF-UHFFFAOYSA-N 437.543 1.820 0 40 IDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 13028146 MCWSSOPLZSEZST-UHFFFAOYSA-N 435.477 1.939 0 40 IDAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(Cc4ccc5c(c4)OCO5)CC3)N2)c1 14606999 ADJQVTRQKPCMCY-IBGZPJMESA-N 449.511 1.725 0 40 IDAB C[C@H](NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O 15996878 ITTCLBHTTYJURL-MAUKXSAKSA-N 447.532 1.950 0 40 IDAB CN1C(=O)[C@H]2[C@@H](C1=O)N1[C@@H](c3cccs3)[C@H]3C(=O)N(C)C(=O)[C@@H]3N1[C@H]2c1cccs1 19171373 SPHHDFIPWOIWAC-XMEMRUQMSA-N 442.522 1.105 0 40 IDAB O=C(COc1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 20730867 KVXIFPIOQVAFBN-KRWDZBQOSA-N 425.460 1.928 0 40 IDAB CN(C)S(=O)(=O)c1cccc(CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1 21624330 ZGNNOAWTNCOQIX-CYBMUJFWSA-N 431.561 1.589 0 40 IDAB CCOC(=O)Nc1cccc(C(=O)OCC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c1 32858401 OILCJALTEBMVIV-QGZVFWFLSA-N 427.413 1.691 0 40 IDAB Cc1nc(NC(=O)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)sc1C(=O)N(C)C 38488418 ZLXWRYGLRFUOQE-CYBMUJFWSA-N 439.563 1.507 0 40 IDAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)cnc32)c1 40478138 VNLVIOHLHDDSFR-UHFFFAOYSA-N 426.383 1.962 0 40 IDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2CN2CCOCC2)C[C@@H](C)O1 48274255 PSPOZBKXNOAIMB-IAGOWNOFSA-N 440.566 1.079 0 40 IDAB COc1ccc([C@@H](CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)N2CCCC2)cc1 58266654 YBZLABOYNVVDJS-LJQANCHMSA-N 449.577 1.359 0 40 IDAB CCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccc(C)c3)CC2)cc1 59488500 UBQWCEREZWUCNB-UHFFFAOYSA-N 438.528 1.906 0 40 IDAB Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@H](C)C(=O)N3CCC(C(N)=O)CC3)CC1)O2 72328086 XPRWRXVZOVIGBF-GYCJOSAFSA-N 441.528 1.824 0 40 IDAB C[C@]12CC[C@H]3C(=CCc4cc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)ccc43)[C@@H]1CCC2=O 77292141 MQWRHMGEKSDVPS-WXWKMSCZSA-N 444.480 1.303 0 40 IDAB in-vitro C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1cccnc1 95471253 XXTIGXRVCQVXNU-HUUCEWRRSA-N 434.493 1.765 0 40 IDAB C[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223892538 YTDFHBLXNMFCPK-AWEZNQCLSA-N 442.534 1.868 0 40 IDAB COc1ccc(CNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c(OC)c1OC 225140066 GNGJVPUVDSBBID-UHFFFAOYSA-N 438.502 1.803 0 40 IDAB O=C1C[C@@H](C(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)CN1Cc1ccc2c(c1)OCO2 225424934 PYNPAQTUPDNUCS-KZNAEPCWSA-N 435.480 1.571 0 40 IDAB CCN(C(C)=O)[C@@H]1CCOC2(CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)C1 257344592 ZXYCCBCXVUTUTL-QGZVFWFLSA-N 429.521 1.677 0 40 IDAB O=C(c1ccc(N2CCOCC2)cc1)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390831284 QYWJIUYTJJQQKX-UHFFFAOYSA-N 435.484 1.811 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 408597780 YDROYTJUEBDRAZ-UHFFFAOYSA-N 439.578 1.243 0 40 IDAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CN1CCS(=O)(=O)CC1 501182128 QCFFETQLZWDVAG-FQEVSTJZSA-N 446.573 1.179 0 40 IDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(c1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575426454 TZASZWOGXUUCNB-CVEARBPZSA-N 425.484 1.046 0 40 IDAB CCCn1ccc(C(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)n1 643564139 NWXOSIPUIVQIGZ-SFHVURJKSA-N 447.580 1.727 0 40 IDAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 8653837 OSFUCVZWRXLFJC-JYWRCUDFSA-N 449.488 1.922 0 40 IDAB COc1cc(Br)c(CCn2c(=O)[nH]c(=O)c3sc(N)nc32)cc1OC 9060982 ISOXZQKTRXVGNV-UHFFFAOYSA-N 427.280 1.751 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cn2ccsc2n1 9335361 VQRSIPMNERGOSI-UHFFFAOYSA-N 436.515 1.607 0 40 IDAB COc1ccc(CCNC(=O)CCNC(=O)N2CC(=O)Nc3ccccc32)cc1OC 9410633 OQLDIIARXLTGME-UHFFFAOYSA-N 426.473 1.921 0 40 IDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 9549376 UDJFSLSRZSSWPO-UHFFFAOYSA-N 437.481 1.775 0 40 IDAB O=C(NCCc1ccc(F)cc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1 9576800 OTPFKSYAOBMOQA-IBGZPJMESA-N 449.504 1.038 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9739135 OWYJWWBNTRWBOS-UHFFFAOYSA-N 426.498 1.980 0 40 IDAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccco2)CS(=O)(=O)C3)cc1 10219757 OFPHAMVGSXKISE-UHFFFAOYSA-N 430.442 1.157 0 40 IDAB CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2n2nnnc12)N1CCOCC1 13513735 JSVSEFZSCOXDHQ-GOSISDBHSA-N 437.508 1.839 0 40 IDAB COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 13564306 PQHRJEAGYNQZFD-UHFFFAOYSA-N 434.470 1.958 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)o2)n(C)n1 13615038 VQAWIOOXAHWPOF-CQSZACIVSA-N 434.453 1.709 0 40 IDAB Cn1cc(S(=O)(=O)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(=O)n(C)c1=O 15327809 MIOQWWGPPRCZCE-UHFFFAOYSA-N 434.857 1.736 0 40 IDAB O=C(Nn1cnc2ccccc2c1=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 15599201 RCFZQSWZAXPXBG-OAHLLOKOSA-N 428.470 1.238 0 40 IDAB O=S(=O)(Cc1noc([C@@H]2C[C@@H](O)CN2Cc2ccc(CO)o2)n1)c1ccc(F)cc1 15673973 WBCNSKYUOPTCRL-DYVFJYSZSA-N 437.449 1.576 0 40 IDAB biogenic,in-vitro COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C)S(=O)(=O)c1cccs1 19622104 LYRSBLXOWHUBND-UHFFFAOYSA-N 428.488 1.811 0 40 IDAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20110413 OJABARNNHMCFFH-UHFFFAOYSA-N 440.525 1.964 0 40 IDAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc1O2 20732040 YTCHQDHGCGBSCH-UHFFFAOYSA-N 443.500 1.136 0 40 IDAB COc1cc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3nn(C)cc32)cc(OC)c1 21713964 FMOQMWGRDWNPIW-UHFFFAOYSA-N 449.467 1.601 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 22998109 CGAIZWAZKYJLGF-UHFFFAOYSA-N 431.514 1.293 0 40 IDAB CCCCN(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1c(N)n(CCCC)c(=O)[nH]c1=O 24004525 DREJXTQUIUNJNM-RNODOKPDSA-N 437.566 1.506 0 40 IDAB COc1ccc(S(=O)(=O)NCCS(=O)(=O)Cc2ccccc2)cc1NC(C)=O 32916461 PSODLCUNBHAFFH-UHFFFAOYSA-N 426.516 1.547 0 40 IDAB CC(C)CCn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(CC(N)=O)nc12 38486833 NGVWLHZVEUCSKA-UHFFFAOYSA-N 440.504 1.015 0 40 IDAB COc1ccc(N2C(=O)CN(CCc3cccc(OC)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408596 OLOJIFBFXVFXQT-LEWJYISDSA-N 430.526 1.761 0 40 IDAB CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccccc1OCC 57415826 ROWBZNWQXMJMCU-LJQANCHMSA-N 430.505 1.454 0 40 IDAB COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 58016651 IUHXVLGNUVPAAZ-QGZVFWFLSA-N 430.505 1.385 0 40 IDAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccn(Cc4ccccn4)n3)cc2)C1 65563660 FZHYNIRUNSUJKF-AWEZNQCLSA-N 441.469 1.565 0 40 IDAB C[C@H](NC(=O)c1cc(C2CC2)nn1C)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 72394936 BQWDBPJGDLXGSL-YJBOKZPZSA-N 425.533 1.767 0 40 IDAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCCc1csc(-n2cccn2)n1 90703369 QLBUHNCSUYAZCG-ZDUSSCGKSA-N 428.543 1.770 0 40 IDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cc(OC)c(O)c(OC)c2)o1 96221077 QIQVMESXYZZHRG-HNNXBMFYSA-N 449.456 1.595 0 40 IDAB biogenic CC(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)NCc3ccccc3C)CC[C@@H]12 96263594 BTFHGNLMOYNINO-QPPBQGQZSA-N 442.560 1.766 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 225224383 MVJNYSXPECTCGD-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB O=C(NCCSc1ncn[nH]1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 226072721 SOQJIRDEECNPKS-UHFFFAOYSA-N 429.955 1.767 0 40 IDAB COc1ncccc1CN1CC[C@@]2(Cc3nn(Cc4ccc(F)cc4)c(=O)c(=O)n3C2)C1 306133627 MRSQCUPBLAWFST-HSZRJFAPSA-N 437.475 1.444 0 40 IDAB Cn1ncc(CN2CCN(Cc3cnn(C)c3C(F)(F)F)CC(O)C2)c1C(F)(F)F 537677352 FQCSGRFZDCMUIG-UHFFFAOYSA-N 440.392 1.870 0 40 IDAB CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)CC1 6194039 FCFJNXLGFJVGRL-UHFFFAOYSA-N 437.331 1.920 0 40 IDAB O=C(O)[C@H]1[C@@H](C(=O)O)C2(c3ccccc3)NC1(c1ccccc1)[C@H](C(=O)O)[C@H]2C(=O)O 8386435 SLHKTTWYLPUJLM-DQOGKMHCSA-N 425.393 1.197 0 40 IDAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8718751 RIDCEMMVNNTIMV-UHFFFAOYSA-N 433.472 1.759 0 40 IDAB Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1C 8754777 KEBRSDRQMAAAPN-UHFFFAOYSA-N 433.505 1.705 0 40 IDAB CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 8952232 UKZVQBPULFPVKH-FCEWJHQRSA-N 434.606 1.688 0 40 IDAB biogenic O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)NCc1ccccc1Cl 9001405 TYLOBFWNSMEXHI-UHFFFAOYSA-N 435.871 1.971 0 40 IDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 9508654 OLCKKNAZNNUQJU-UHFFFAOYSA-N 436.511 1.843 0 40 IDAB Cn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3CC(=O)OCc2ccccc2)n(C)c1=O 9707505 MRFGWUDJIFLKPU-UHFFFAOYSA-N 438.488 1.399 0 40 IDAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9767616 JENPVNPJFWDLIJ-HOTGVXAUSA-N 436.559 1.759 0 40 IDAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc1 11866155 GCKWDXNVCSESSO-GFCCVEGCSA-N 429.545 1.098 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC1)CNC2=O 12086684 KYPAOFOCFMPTMV-KXNSMUHISA-N 445.516 1.205 0 40 IDAB Cc1ccc2c(c1)CN(S(C)(=O)=O)C[C@]1(CCCN(C(=O)Cc3nonc3C)C1)O2 12087199 NCYCMDMJZZBHIM-HXUWFJFHSA-N 434.518 1.444 0 40 IDAB COc1ccc(OC)c(CC(=O)N2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)c1 12251720 YPMSEEPPHSIZDU-GFCCVEGCSA-N 425.532 1.908 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/C(=O)N3CCOCC3)CC2)cc1 12771581 AZGMTDMDYOJECD-BQYQJAHWSA-N 435.546 1.058 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 13101968 NOJMZRMYKOKOJY-GOSISDBHSA-N 445.516 1.853 0 40 IDAB C[C@@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccc(F)c(F)c1F 14352069 KJTVLFXGPZXBFS-SECBINFHSA-N 443.407 1.555 0 40 IDAB CCOC(=O)CSCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 15403122 DOLYGLFLFATLIP-UHFFFAOYSA-N 440.587 1.695 0 40 IDAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(C(=O)OC)cc1)c(=O)n2C 15880403 CQGQUMCAKRZPTG-UHFFFAOYSA-N 426.429 1.228 0 40 IDAB COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)[C@@H](C)O 16102471 CMDMFCXLUPCMSQ-MDASCCDHSA-N 430.457 1.268 0 40 IDAB Cc1cccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)cn34)n(C)c2=O)c1 19201002 LQNUSMXTZZUGCX-UHFFFAOYSA-N 436.516 1.147 0 40 IDAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2n[nH]c(=O)[nH]2)C1 19580066 JABYBJVRTISXJO-OAQYLSRUSA-N 425.514 1.990 0 40 IDAB O=S(=O)(NC1CCC(NS(=O)(=O)N2CCCCCC2)CC1)N1CCCCCC1 22409906 FUMJBFHOXKPKCW-UHFFFAOYSA-N 436.644 1.718 0 40 IDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21)Nc1cc(F)ccc1F 22766152 RRFGCGIFDIMFEG-ZWKOTPCHSA-N 443.366 1.668 0 40 IDAB COC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 23820176 MTFCDWAZCZHUJX-OAQYLSRUSA-N 425.397 1.608 0 40 IDAB CC(C)N(CCNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)C(C)C 24838029 OUNLSMJGLBVYQT-QGZVFWFLSA-N 445.607 1.001 0 40 IDAB O=C(NCCNS(=O)(=O)c1cccc2nsnc12)c1ccc2c(c1)OCCCO2 36359618 IUFBWEUJUGPMDO-UHFFFAOYSA-N 434.499 1.561 0 40 IDAB NC(=O)NCCC[C@@H](NC(=O)CCn1ccc2cc(Br)ccc21)C(=O)O 36370047 WFUONICFBYYZQR-CYBMUJFWSA-N 425.283 1.812 0 40 IDAB biogenic O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)NCc1ccc2c(c1)OCO2 49410536 IHPHIXXZBAZGBJ-UHFFFAOYSA-N 447.513 1.458 0 40 IDAB NC(=O)c1nnn(-c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)n1 70999811 JTWBLSVYSRCZPR-UHFFFAOYSA-N 429.281 1.386 0 40 IDAB O=C(Cn1nc(N2CCSCC2)ccc1=O)NC1CCN(Cc2ccccc2)CC1 71286528 AZNADSIFJCNPFZ-UHFFFAOYSA-N 427.574 1.577 0 40 IDAB Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)c12)OC(C)(C)CC3 79190582 VMSZULJGGDPUEA-CYBMUJFWSA-N 435.498 1.887 0 40 IDAB biogenic COc1cc2nc(C)n(CC(=O)NCCn3cnc4ccccc4c3=O)c(=O)c2cc1OC 96345373 KPVAEADGULROSU-UHFFFAOYSA-N 449.467 1.248 0 40 IDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)c(F)c3)C(=O)[C@@H]21)Nc1ccc2c(c1)OCO2 101169289 GOEJWZSECZPHNV-DLBZAZTESA-N 429.339 1.625 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(OC)c4)C[C@@]34C=C[C@H]2O4)CC1 108234032 CYBWPEYKLISFFX-ZQAYVECASA-N 441.484 1.282 0 40 IDAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1CN(C)S(=O)(=O)c1ccccc1 224772302 JHLUBYDECIKYHQ-UHFFFAOYSA-N 445.541 1.853 0 40 IDAB CC(=O)Nc1ccc(N(C[C@@H](O)CN[C@H](C)C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 230239166 WMBHULQCLKDUQW-BEFAXECRSA-N 449.529 1.572 0 40 IDAB Cc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCC3)N(C3CC3)C(=O)[C@H]24)no1 245227636 RDQVWFSCWYQCKD-RMZWBFLNSA-N 426.473 1.293 0 40 IDAB CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)CN1C(=O)COCC1=O 257200601 ADZYHPXNSBQGDK-NJYVYQBISA-N 441.528 1.375 0 40 IDAB COc1ccc(C(=O)N2CCN(CCc3ccccc3)C[C@@H]2C(N)=O)cc1Cn1cccn1 257262494 LLQIHPYEXBVWSG-JOCHJYFZSA-N 447.539 1.794 0 40 IDAB COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)c1 408653075 HSEOTCGUBCHSJI-HNNXBMFYSA-N 441.440 1.379 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)N3CC(n4nc(-c5ccncc5)ccc4=O)C3)CC2=O)c1 1775974615 XTZIZJASORUVBD-KRWDZBQOSA-N 445.479 1.750 0 40 IDAB CCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 895454 HMJKCCBDTYEIOT-UHFFFAOYSA-N 434.562 1.574 0 40 IDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 3295531 QHTDFMUBZPJEEZ-UHFFFAOYSA-N 434.518 1.664 0 40 IDAB COCCCNC(=S)N(CCCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6198452 KUHYQEHRNBZSMQ-UHFFFAOYSA-N 448.589 1.964 0 40 IDAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 9355064 OBWLSZXYCQGPTR-KYSILRCISA-N 449.488 1.922 0 40 IDAB CC(=O)c1ccc(N2CCN(C(=O)CCN3C(=O)NC4(CCCC4)C3=O)CC2)c(F)c1 9469078 HQDTWRJGSUEVGX-UHFFFAOYSA-N 430.480 1.932 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2c(F)cccc2F)cc1 9508516 TUXJIKRPFLGFCV-UHFFFAOYSA-N 441.412 1.383 0 40 IDAB CCOC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCN(C(=O)OCC)C2 9639318 CHXGQRJVPQXZCY-UHFFFAOYSA-N 437.474 1.527 0 40 IDAB CCOC(=O)C1=C(COC(=O)c2ccccc2-n2cnnn2)NC(=O)N[C@@H]1c1ccccc1 9639738 KQJAGDNQSYQYIW-LJQANCHMSA-N 448.439 1.690 0 40 IDAB Cn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661304 IFMCADMSKHDMIO-UHFFFAOYSA-N 431.452 1.867 0 40 IDAB COC(=O)c1ccc2c(=O)n(CCC(=O)NCCCN3CCOCC3)c(=S)[nH]c2c1 12416130 LYYXHXVCPMHCPY-UHFFFAOYSA-N 434.518 1.074 0 40 IDAB CC(C)[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1)C(=O)NCc1ccc(F)cc1 12873432 FEAMDIVMHZYOEM-PMACEKPBSA-N 432.540 1.573 0 40 IDAB biogenic CC(C)C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Br)N1CCOCC1 12907946 YZAXIJFNPVKIKT-ZDUSSCGKSA-N 448.383 1.573 0 40 IDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)nc2n1 13097381 WCQNZOKNSSCZOD-SECBINFHSA-N 442.501 1.822 0 40 IDAB O=S(=O)(c1ccc2nnn(OCc3cc(-c4ccccc4)on3)c2c1)N1CCOCC1 15553182 TUWGWGONYAXVPA-UHFFFAOYSA-N 441.469 1.736 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1 17012769 LKEQPHXPWVBGKC-UHFFFAOYSA-N 433.534 1.141 0 40 IDAB Cc1ncc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)c(C)n1 19552516 KEVLSXSLQTXUKG-OALUTQOASA-N 437.548 1.864 0 40 IDAB Cc1nc(CN(C)CC(=O)N2CCNC2=O)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19698599 FYROMBGZWZLSLA-UHFFFAOYSA-N 440.479 1.387 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 21786227 WTFQZNGFIMCDEG-UHFFFAOYSA-N 429.454 1.733 0 40 IDAB COc1ccc(CNC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 22228283 STPFHUPFNKPJRI-UHFFFAOYSA-N 445.541 1.455 0 40 IDAB COc1ccc(CC(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)cc1OC 23134423 XXKLSONWJHYGNM-UHFFFAOYSA-N 440.479 1.706 0 40 IDAB O=S1(=O)CC[C@@H](N(Cc2cccs2)Cn2nnn(C[C@H]3CCCO3)c2=S)C1 37471610 ZEVGJXSGUSQAAU-ZIAGYGMSSA-N 429.593 1.696 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)NCc2cccs2)CC1 56908040 TVKGZGQQRGJNTR-INIZCTEOSA-N 437.591 1.953 0 40 IDAB O=C(COc1cccnc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 58341653 SMOAIPFCBWXNGH-UHFFFAOYSA-N 446.348 1.818 0 40 IDAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 59061397 CHUHENJIVYCEFF-HNNXBMFYSA-N 442.541 1.912 0 40 IDAB CN1CCN(CCCNC(=O)CNC(=O)Cc2cccc(F)c2)[C@H](c2ccccc2)C1 69950891 JLQDROJYGAKEAD-QFIPXVFZSA-N 426.536 1.979 0 40 IDAB NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cccnc1N1CCCCC1 72289378 QWSMTFCNWYDOHA-IBGZPJMESA-N 439.516 1.859 0 40 IDAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@H](c4ccnc5ncnn45)C3)ccc21 72334871 CLNVOMMGYKKEFI-INIZCTEOSA-N 426.502 1.466 0 40 IDAB CCc1nn(C)cc1CNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 95459076 FFQUQOLFMOUVIP-UHFFFAOYSA-N 425.942 1.748 0 40 IDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C3/C(=O)Nc4ccccc43)c(=O)n12 100895667 VBGOOFXCJVDNGT-BMYVXULGSA-N 447.472 1.181 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 222466869 LXXRWLJUFFRCJZ-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB COc1ccc(/C=C/C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224429673 LGSUUZWEIGRNFN-NYYWCZLTSA-N 446.525 1.925 0 40 IDAB Cc1c(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c(=O)n(-c2ccccc2)n1C 225572825 GMVIVNGRWKKOSO-UHFFFAOYSA-N 436.519 1.731 0 40 IDAB Cc1cc(OC2CN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)C2)cc(=O)n1C1CC1 245053512 OXQLEWUHFNRIDI-UHFFFAOYSA-N 431.470 1.388 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3cccc(Cc4ccccc4)n3)CC[C@@H]2O)CC1 257253935 KAXPKLYWRVWBJY-ZEQRLZLVSA-N 436.556 1.802 0 40 IDAB CC(=O)NCC(=O)N1CCCC[C@H]1c1ccc2c(=O)n(C)c(=O)n(Cc3ccccc3)c2n1 257280414 OKTDVKFOQKHACB-FQEVSTJZSA-N 449.511 1.333 0 40 IDAB COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1Br 408549218 QZFSYFPGDNOHAC-IZZDOVSWSA-N 427.207 1.067 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OCC)c(C)c2)CC1 408626998 XCYNWCYFHGCCFL-HNNXBMFYSA-N 427.523 1.361 0 40 IDAB Cc1cc(C)n(-c2cc(N3CC(C(=O)NCc4ccnc(N5CCOCC5)c4)C3)ncn2)n1 575609132 JMKFICSQCOYKKB-UHFFFAOYSA-N 448.531 1.263 0 40 IDAB O=C(COc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 2631421 JJWQOCPJJFDNAQ-UHFFFAOYSA-N 436.461 1.509 0 40 IDAB O=C(O)CSCC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccccc4)n3)CO[C@H]12 5413930 QKIZDPXGJJEEBU-ILRDRHFLSA-N 430.486 1.024 0 40 IDAB biogenic,in-vitro O=C(COC(=O)CCc1ccccc1)NCCNC(=O)COC(=O)CCc1ccccc1 9464186 PQTDYQAPGBXBGR-UHFFFAOYSA-N 440.496 1.571 0 40 IDAB COc1ccc(Br)cc1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1 9515913 KGTYLFYPGXJDIK-UHFFFAOYSA-N 427.342 1.160 0 40 IDAB COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 9729986 OPBXWLLTXHHLQN-UHFFFAOYSA-N 436.486 1.412 0 40 IDAB O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)Nc1ccc2c(c1)OCCO2 10218650 UOPFZBPPWQBUDG-LLVKDONJSA-N 425.488 1.549 0 40 IDAB COc1ccc(OC)c(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccccc2)c1 10283083 CHEXWQJCKQYROG-UHFFFAOYSA-N 447.513 1.200 0 40 IDAB CCc1cccc(OC[C@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385155 CWPXLBMMKSXIDF-QGZVFWFLSA-N 441.532 1.662 0 40 IDAB CCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CC(=O)OCc1ccccc1)c(=O)n2C 11613338 ONBLQFYYLILCKL-UHFFFAOYSA-N 436.472 1.463 0 40 IDAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12813768 IZYFOVAMXARCNT-RWMBFGLXSA-N 430.910 1.036 0 40 IDAB Cn1nnnc1-c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 12972451 ZWQFDCSEZVFYJL-AWEZNQCLSA-N 432.531 1.978 0 40 IDAB CCC[C@@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O 13097750 YXXRDPQGCKZYGJ-IBGZPJMESA-N 430.530 1.824 0 40 IDAB COCCCN[C@@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)O 16740602 VVKJXNRVAKNQCJ-AWEZNQCLSA-N 442.519 1.352 0 40 IDAB 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COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC(C)=O)c([N+](=O)[O-])c3)C2=O)o1 33775913 ORUYCLXKLGAVEC-QPEQYQDCSA-N 429.341 1.993 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cnc4c(c3)c(C)nn4C)CC2)cc1 59370219 JYPUTSRMQIKZJM-UHFFFAOYSA-N 442.545 1.530 0 40 IDAB CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3ccccc3)CC2)CC1 71280512 NGCJUKZOMPABBH-UHFFFAOYSA-N 431.537 1.598 0 40 IDAB O=C(Nc1ccc(-n2nnn(CC(=O)N3CCOCC3)c2=O)cc1)c1c[nH]c2ccccc12 77100258 ZFYUNXQVVOAKPT-UHFFFAOYSA-N 447.455 1.021 0 40 IDAB COc1ccc2nc(C)c(C(=O)NCC(=O)Nc3cccc4c(=O)[nH]nc(O)c34)cc2c1 84028566 BBQWMZAZLKHSQW-UHFFFAOYSA-N 433.424 1.862 0 40 IDAB COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(O)cc(C)n(CC(=O)O)c1=O 96221766 LBPHFKKQFXDSMJ-ZDUSSCGKSA-N 443.408 1.757 0 40 IDAB biogenic CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)CC1 220336583 NCRSXMPCHHJHLX-HNNXBMFYSA-N 426.535 1.960 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 226002207 FGPCNQNTWYZFDS-UHFFFAOYSA-N 439.559 1.813 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)CC[C@@H]2O)CC1 257322260 WFFKBXQDWUNYRO-PMACEKPBSA-N 445.560 1.295 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3ncn[nH]3)C2)cc1 260752304 XZVCAQVQTZEJSA-AWEZNQCLSA-N 439.563 1.513 0 40 IDAB CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)NCCCN2CCOCC2)c2ccccn12 306142510 XBEHOYUCXKVQDB-SFHVURJKSA-N 428.537 1.605 0 40 IDAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)C3CN(c4cc(-n5cncn5)ncn4)C3)nc21 575607192 AVDLYTVVKUMHRY-GFCCVEGCSA-N 440.489 1.182 0 40 IDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1)c1cn[nH]c1 585262293 CVMWHFAEBBADJT-LWSSLDFYSA-N 447.539 1.911 0 40 IDAB COc1cc(CN2CC[C@@](O)(CN3CCN(C(C)=O)CC3)C2)ccc1OCCCN(C)C 585270981 CRWAQDXJVDLIGS-XMMPIXPASA-N 448.608 1.127 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)c5cc(C(C)(C)C)n[nH]5)C[C@H]4C3)ncnc21 1888920855 ZDVSQCUUPFGWLD-GASCZTMLSA-N 438.536 1.702 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)N3[C@H]4CC[C@H]3CC3(C4)CN(C)C(=O)[C@H](C)O3)ccc21 1888979653 NKNJZIVTXVJQPG-WBAXXEDZSA-N 447.557 1.527 0 40 IDAB O=C(c1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1325291 VIQPBNMLGZJLIG-UHFFFAOYSA-N 443.525 1.306 0 40 IDAB CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2c1c(=O)n(C)c(=O)n2C 4103472 MDVZXMPXLZBLCS-UHFFFAOYSA-N 437.551 1.379 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 4386247 QBIJBYPTIJFGJP-INIZCTEOSA-N 427.505 1.916 0 40 IDAB CCOC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1 5028893 AQNKTIBMAUEPDI-IBGZPJMESA-N 441.484 1.320 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 9127452 DEOGTZCJUSLNFX-UHFFFAOYSA-N 437.543 1.682 0 40 IDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1 9244698 IHKFWEHZUQGSEG-UHFFFAOYSA-N 435.845 1.776 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)NC(=O)NC(C)(C)C)C(C)C)c1 9403652 MVGNXFLRHOLNSA-KRWDZBQOSA-N 437.493 1.626 0 40 IDAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1OC 9585165 PLVODUIWKLGWEK-UHFFFAOYSA-N 438.477 1.794 0 40 IDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1 9590938 DEQCLPKBMZYYRN-INIZCTEOSA-N 444.469 1.663 0 40 IDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 9807060 PDYGSVHXUSOBKE-CQSZACIVSA-N 441.962 1.987 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c(OC)c1 11858202 DWJVYWLVPRUPJS-GFCCVEGCSA-N 440.499 1.817 0 40 IDAB Cc1cccn2c(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c(-c3ccccc3)nc12 12520622 AFOLWARTKVCOPP-UHFFFAOYSA-N 443.467 1.696 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@@H]3c3cccn3C)CC2)cc1 12690145 DIFMDFSKQAXVOT-OAQYLSRUSA-N 446.573 1.704 0 40 IDAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCN(C(=O)c2ccco2)CC1 12973857 CSRQIVUCCVBUMU-UHFFFAOYSA-N 445.273 1.737 0 40 IDAB CC[C@H](C)N(C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 13041093 CNPHIMUXYUAWBF-XPIZARPCSA-N 435.546 1.658 0 40 IDAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3cccs3)cc2)C1=O 13688942 NOIFKZFETDDIGA-UHFFFAOYSA-N 428.557 1.972 0 40 IDAB CC(=O)Nc1ccc(OCC(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)cc1C 19570932 UPCIYINBVPGCRL-UHFFFAOYSA-N 425.489 1.544 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(F)c3F)[nH]c(=O)c2C1 19592910 XXIKLNGFHAKFQH-QGZVFWFLSA-N 446.454 1.947 0 40 IDAB COCCN1C[C@@H](c2cc(N(C)C)nc(CN(C)S(=O)(=O)c3ccccc3)n2)CC1=O 19700986 ADRNWGQZRUXXFH-INIZCTEOSA-N 447.561 1.326 0 40 IDAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)CCO1 19703115 HGIFBGNWDRVWGY-OAHLLOKOSA-N 441.513 1.430 0 40 IDAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(CC)CC3)cc2c1 20082362 YIRKCVXVIRCUHZ-HXUWFJFHSA-N 425.537 1.450 0 40 IDAB COCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 23100659 JKWPVKATTKCVPK-UHFFFAOYSA-N 431.445 1.666 0 40 IDAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(NC(C)=O)c2)c1=O 32739554 WZKLKKHQKRFJRI-UHFFFAOYSA-N 442.520 1.590 0 40 IDAB Cc1cc(CSc2ccccc2C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)no1 35334201 JYKFFUFPYHRLFI-UHFFFAOYSA-N 444.557 1.892 0 40 IDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 36386880 BGYRTTSFDSIBIR-HXUWFJFHSA-N 442.541 1.322 0 40 IDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 57279433 YOFRRCPXXJHGBJ-UHFFFAOYSA-N 442.545 1.875 0 40 IDAB CCOC(=O)CN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(C)C 58343640 CCFVEKGROJYLMG-UHFFFAOYSA-N 438.550 1.556 0 40 IDAB COc1cccc(CNC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 72326339 SWPJKAFHPFTYSH-IQMFZBJNSA-N 437.500 1.659 0 40 IDAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(C(=O)COCC(=O)O)C2)on1 72338469 VJTWOIDKLQAOQO-HNNXBMFYSA-N 429.477 1.847 0 40 IDAB CCOC(=O)N1CCC(NC(=O)Cn2ccn(-c3ccccc3OCC)c(=O)c2=O)CC1 90610119 LERFNJANQPSQML-UHFFFAOYSA-N 444.488 1.135 0 40 IDAB O=C(C1CCN(c2cncc3nnnn23)CC1)N1CCCN(Cc2ccccc2F)CC1 95449256 WHUFOQYMOWDFDY-UHFFFAOYSA-N 438.511 1.609 0 40 IDAB CC(=O)N1CCN(Cc2ccc(NC(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)cc2)CC1 95991538 UKIFSLDBHWQVGS-UHFFFAOYSA-N 446.511 1.888 0 40 IDAB CN(C)c1cc(N2CCC[C@](O)(CNCc3cccc(CN4CCOCC4)c3)C2)ncn1 257226852 FMLBLYNBEKMACX-DEOSSOPVSA-N 440.592 1.496 0 40 IDAB O=C1[C@H]2[C@H](C(=O)N1c1cccc(I)c1)[C@@]1(C3OCCO3)C=C[C@H]2O1 409293479 YSLSVPAQFQPNDV-HPTBWKMGSA-N 439.205 1.477 0 40 IDAB COc1ccnc(N2C[C@@H]3CN(S(=O)(=O)c4ccc5c(c4)CCC(=O)N5)C[C@H]3C2)n1 1888890969 BDIGVTRIBNNFJY-HUUCEWRRSA-N 429.502 1.127 0 40 IDAB COc1ccc(C(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c(O)c1 7778941 WMLJFXGZJPOSCS-OAHLLOKOSA-N 425.503 1.906 0 40 IDAB COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cc1C 8754998 GLRBQTQMPWJKEG-UHFFFAOYSA-N 429.520 1.075 0 40 IDAB Cc1cc2c(cc1S(=O)(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)O)NC(=O)CO2 8782690 RAMKHWNEZHGHEH-INIZCTEOSA-N 429.454 1.781 0 40 IDAB biogenic,in-vitro COc1cc([C@H]2C/C(=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)NN2)cc(OC)c1OC 9419676 JFMRFWFLINGZLJ-QFVIEVDGSA-N 444.488 1.917 0 40 IDAB O=C(C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CCN(c2ccccn2)CC1 9882117 XBZYMBGHCVXWRS-UHFFFAOYSA-N 439.541 1.591 0 40 IDAB Cc1ccc(C)c(-n2c(-c3ccccc3)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1 10101902 QKDRHHLUARHCLK-UHFFFAOYSA-N 442.479 1.908 0 40 IDAB CCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3ccncc3)ccc2=O)cc1 11744930 MLHAWDAPQFTFIG-UHFFFAOYSA-N 427.486 1.632 0 40 IDAB NC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 12747776 WPYKVNHQFJZMQH-UHFFFAOYSA-N 449.360 1.617 0 40 IDAB Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 12767258 AULGWCLCXIDNSG-UHFFFAOYSA-N 441.351 1.946 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CN(C(=O)c2cn(C)nc2C)C[C@H]1C(=O)N(C)C 19583432 YCOPOLPWBBCIET-WMZHIEFXSA-N 439.516 1.012 0 40 IDAB CN1CCN(Cc2ccccc2CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 32915602 JSFDGKGBOKZJGL-UHFFFAOYSA-N 430.574 1.614 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)cc1 35598200 XPKLBMFMLPNHGY-QGZVFWFLSA-N 430.486 1.173 0 40 IDAB Cc1ccc(NC(=O)N[C@@H]2CCCCNC2=O)cc1NC(=O)N[C@H]1CCCCNC1=O 40149910 CISJWEXZCQCCSA-CVEARBPZSA-N 430.509 1.575 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 48261358 LXVLOQDGJMLKST-GOSISDBHSA-N 436.578 1.626 0 40 IDAB COC(CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)OC 56945509 ZAYJTKUROGIAAD-GOSISDBHSA-N 448.495 1.133 0 40 IDAB CN1C(=O)[C@@H](CC(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)c2ccccc21 72392508 MIRPRCXSCAOYSO-AWEZNQCLSA-N 434.543 1.798 0 40 IDAB Cc1ccccc1-n1c(N2CCOCC2)nnc1S(=O)(=O)Cc1noc(CC(C)C)n1 79024212 IFKUDRKDKCZJCL-UHFFFAOYSA-N 446.533 1.968 0 40 IDAB O=C(CCn1cnc2sccc2c1=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005233 UFQRZIXEOOIDQS-OAHLLOKOSA-N 438.575 1.701 0 40 IDAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O 205689058 UUINGEJLRPYHEY-LFIBNONCSA-N 434.470 1.524 0 40 IDAB C[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 223891006 ZXEKAJMPCDVAOS-CQSZACIVSA-N 440.543 1.742 0 40 IDAB Cc1noc(-c2cccn3c(CNS(=O)(=O)c4c(C)nn(C(C)C)c4C)nnc23)n1 225749950 VLVYDIDGPLUNPB-UHFFFAOYSA-N 430.494 1.960 0 40 IDAB Cn1cnnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 252484737 GFYBFFXKJRFQCK-UHFFFAOYSA-N 444.844 1.334 0 40 IDAB CCCC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2NC1=O 252509761 YUXMBZQBZXVOIN-GOSISDBHSA-N 431.518 1.877 0 40 IDAB CNc1cc(N2CCC[C@](O)(CNCc3ccc(OCCOCCO)cc3)C2)ncn1 257274640 NLYJSXFVRLVTFZ-QFIPXVFZSA-N 431.537 1.027 0 40 IDAB CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)CN(C(=O)c3ccccc3)CC2)C1 306142717 XHGRKIOOHQBZEW-DEOSSOPVSA-N 435.528 1.907 0 40 IDAB Cc1ccc(Cl)cc1NC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1 409000313 VHLMPPZZMUABEQ-UHFFFAOYSA-N 446.891 1.746 0 40 IDAB COCCn1nccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3nccn3C)CC2)CO1 585101162 KLVDUFAEMVURTA-SFHVURJKSA-N 430.553 1.454 0 40 IDAB CCOCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1503179009 SOBVUMZNMYVUBV-SFHVURJKSA-N 442.520 1.853 0 40 IDAB COc1cc2ncn([C@@H]3[C@@H](O)[C@H](NC(=O)Nc4ccccc4)[C@H]4CO[C@@H]3O4)c2cc1OC 1534640204 SNSTZRVDYNXBLQ-SSSFQFABSA-N 440.456 1.901 0 40 IDAB CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)c4cnccn4)c(=O)n2C3)CC1 4259171 PZODWNWBLLMFHY-DLBZAZTESA-N 436.516 1.321 0 40 IDAB biogenic,in-vitro CCOC(=O)c1sc(NC(=O)CN2CCC(C(N)=O)CC2)c(C(=O)OCC)c1C 7141442 KBEBAPNUUDNYIP-UHFFFAOYSA-N 425.507 1.546 0 40 IDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 9155982 DGBSTIBFPBBNSC-QGZVFWFLSA-N 431.452 1.881 0 40 IDAB Cc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N1CCOCC1 9222481 QIIMRARVQQMBLV-UHFFFAOYSA-N 443.481 1.609 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cncc(Br)c2)c1 9335212 WNDKSHNKBFVRNP-UHFFFAOYSA-N 442.291 1.890 0 40 IDAB COc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(F)c(F)c1)CN=3)C(=O)N2 9410214 FEFMWCZBCSLLBY-MSUUIHNZSA-N 428.420 1.403 0 40 IDAB CCOc1ccc(-n2nnc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)cnc32)cc1 9412862 QSSDOIOSNLMVAD-UHFFFAOYSA-N 448.439 1.421 0 40 IDAB O=C(NCc1ccccc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Cl)cc1 9600442 JWQNNDOKCKNIHN-QGZVFWFLSA-N 437.905 1.120 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccccc4F)[C@H]3C2=O)cc1OC 9675583 XYWOEQOHBSNJDB-QZTJIDSGSA-N 427.392 1.775 0 40 IDAB COc1ccc(OC)c(-n2c(C)c(C)n3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)c1 9713127 XPSULFJSVNFCRC-UHFFFAOYSA-N 427.461 1.155 0 40 IDAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)COc1ccccc1)CC2 10705441 JIAYFCSJTXZIGH-UHFFFAOYSA-N 434.514 1.587 0 40 IDAB CCOc1ccccc1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC 11858342 KVPUSYQPUGIINU-UHFFFAOYSA-N 440.499 1.961 0 40 IDAB COc1ccccc1CNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 13115436 NOIQTLHVJJMRMG-UHFFFAOYSA-N 434.514 1.584 0 40 IDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)O)C(=O)N2CCc1ccc(S(N)(=O)=O)cc1 13567011 RVWRTFMKECWWMR-CDXJDZJCSA-N 430.482 1.702 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 15699252 SVLDYMIJLYRXJM-UHFFFAOYSA-N 435.889 1.781 0 40 IDAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 16626967 XKCVHQKDPBNKQO-UHFFFAOYSA-N 440.909 1.505 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCN(c3ncccn3)CC2)cc1 17298932 MLAIFQKHTLKCGG-IBGZPJMESA-N 431.562 1.827 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3)[nH]c(=O)c2C1 19520410 SHPAJXPHHHZXFT-GOSISDBHSA-N 430.530 1.845 0 40 IDAB COc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)c1 19564527 RKOMXELIOMYUSM-SFHVURJKSA-N 446.529 1.464 0 40 IDAB CC[C@H](C)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 21137585 ADWAAGXGZKDRNI-AWEZNQCLSA-N 440.518 1.316 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCn1c(=O)oc2ccccc21 24002547 GLSZSPLTZVLEDN-MRXNPFEDSA-N 446.529 1.816 0 40 IDAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1cccc(F)c1 27200785 NXIYHDJSAMPOMU-UHFFFAOYSA-N 441.431 1.367 0 40 IDAB Cc1csc(CC(=O)N2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)n1 36386057 VOCSCIUAOFDHJD-UHFFFAOYSA-N 447.586 1.426 0 40 IDAB C[C@@H](Sc1ncn[nH]1)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 40152767 WGVPPORTVSTFDP-LLVKDONJSA-N 449.480 1.837 0 40 IDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1 40158522 OVDSILADQXJYIP-UHFFFAOYSA-N 438.594 1.151 0 40 IDAB CCOC(=O)Cn1nnnc1CN(CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O 57640344 TZEFPCSYBLYCNT-UHFFFAOYSA-N 428.493 1.079 0 40 IDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1C(=O)N1CCCCC1 69951033 VNESAFWUAGIGNT-UHFFFAOYSA-N 426.498 1.990 0 40 IDAB CS(=O)(=O)c1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO 79023482 UYDUMGAPMKQDRG-CMPLNLGQSA-N 433.324 1.458 0 40 IDAB Cc1ccc(NC(=O)COc2ccccc2CC(N)=O)cc1S(=O)(=O)N1CCOCC1 89651259 GAXSHWTYYMHEGI-UHFFFAOYSA-N 447.513 1.061 0 40 IDAB C[C@H]1CN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2cc(Cl)ccc2N3)C[C@@H](C)O1 253604146 QUKFNSMZKULVHM-HKZYLEAXSA-N 434.924 1.840 0 40 IDAB Cn1cccc(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NC5CCCC5)n4CC3)C2)c1=O 2055785557 ZPNVTHSINSNRPH-QHCPKHFHSA-N 438.532 1.518 0 40 IDAB CC(=O)N1C(=S)NC(=O)/C1=C1/C(=O)N(CC(=O)Nc2cccc(C)c2)c2ccccc21 2701144 LVSZETJUQCVNOM-HNENSFHCSA-N 434.477 1.955 0 40 IDAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)NC1CCCC1 6530855 FBMAPIXEWNPNOO-UHFFFAOYSA-N 444.492 1.525 0 40 IDAB aggregator Cc1ccc(Cn2c(=O)c3c(nc4n(CCOCCO)c(C)c(C)n34)n(C)c2=O)cc1 8706294 UEWSTPFPQFAWOQ-UHFFFAOYSA-N 425.489 1.132 0 40 IDAB C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)c1c[nH]c2ccccc12 8708522 AFESBGMMKMKSJM-STQMWFEESA-N 431.470 1.448 0 40 IDAB CCOC(=O)NC(=O)c1cn(CCNc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O 8781920 FKHNPPHNJLPFLV-UHFFFAOYSA-N 449.773 1.602 0 40 IDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)n1 8868109 KUBAFSYKCZBKBA-SNVBAGLBSA-N 449.963 1.425 0 40 IDAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1 9443054 LPDCSCFYJRVLHB-UHFFFAOYSA-N 431.514 1.825 0 40 IDAB COc1cccc(-c2nc(SCCN3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 9517570 XPPRBZNSAJSKFP-UHFFFAOYSA-N 427.530 1.891 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(OC)c2)cc1 9806745 HAZGOSABZCKFTR-MRXNPFEDSA-N 447.513 1.612 0 40 IDAB COc1cc(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)cc(OC)c1OC 9828368 UTOZBCFMWQKPSC-UHFFFAOYSA-N 434.514 1.830 0 40 IDAB CC(=O)Nc1ccc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 10216349 GOMDJETZEBZGKJ-UHFFFAOYSA-N 427.486 1.630 0 40 IDAB COc1cccc(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccc(C)cc2)c1 10283286 HASHQYBRGSBTJA-UHFFFAOYSA-N 431.514 1.500 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)NC[C@H]1Cc2ccccc2O1 12085680 PBCZZAJPNFRQEJ-MZNJEOGPSA-N 435.480 1.638 0 40 IDAB Cc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)c1 12445081 JEZRXSBLKZNPSM-UHFFFAOYSA-N 431.558 1.950 0 40 IDAB CN(CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)Cc1cnn(-c2ccccc2)c1 12569216 ZASNNZQBNQPLGS-QHCPKHFHSA-N 432.484 1.803 0 40 IDAB CCc1ccccc1N1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1=O 12690400 KPUVJYRSLBRSAI-GUDVDZBRSA-N 434.558 1.797 0 40 IDAB CCCC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCC(C(N)=O)CC1 13505411 QHPOCMSROQTZRM-GOSISDBHSA-N 434.566 1.842 0 40 IDAB Cc1ccc2nc(NC(=O)CSc3nc4c(=O)n(C)c(=O)n(C)c4n3C)sc2c1 15882261 PLXLCZYAYIVHAM-UHFFFAOYSA-N 430.515 1.620 0 40 IDAB Cc1occc1-c1nnc(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)n1C 16045597 ZLLJCQXIKNDKCN-HXUWFJFHSA-N 440.485 1.974 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ccccn2)CC1 16638079 UTPSXYLDZLDWDL-UHFFFAOYSA-N 430.530 1.373 0 40 IDAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1Cc2cn(C)nc2[C@H](C(=O)N(C)C)C1 19701179 MMLILIDGBYCAAV-QGZVFWFLSA-N 445.545 1.232 0 40 IDAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(c4ccccc4)CC3)=C2)cc1 20219973 DBOWVLDKGQSZST-UHFFFAOYSA-N 440.525 1.907 0 40 IDAB CCOC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 20969394 ORJZBKAHMUVTHP-UHFFFAOYSA-N 436.939 1.596 0 40 IDAB CCCn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)c(=O)[nH]c1=O 21466288 KSIDFLHMNUKMIG-UHFFFAOYSA-N 429.502 1.795 0 40 IDAB O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)NCCNC(=O)c1ccco1 25681207 ADGCRFKQYUEPAP-UHFFFAOYSA-N 432.502 1.425 0 40 IDAB O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)NCc1ccccc1Cl 32616544 YYDCUECZSYZMMM-UHFFFAOYSA-N 435.871 1.923 0 40 IDAB CCOc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55387470 DSLGCLYXHOAASB-RBUKOAKNSA-N 444.509 1.828 0 40 IDAB CN(CCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 69949289 UTZHLWNBZWKVSJ-UHFFFAOYSA-N 439.497 1.860 0 40 IDAB Cc1cccc(S(=O)(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@]32CCN(C)C2=O)c1 96144310 JBZZNRDGEBFOFB-QFIPXVFZSA-N 448.589 1.612 0 40 IDAB COCCN1Cc2c(C(=O)NCc3ccncc3)ncn2-c2ccccc2S1(=O)=O 96266182 JFAMIFXCXFROJK-UHFFFAOYSA-N 427.486 1.348 0 40 IDAB CCCC(=O)N1CCc2nc3cc([C@@H]4CCCN(S(=O)(=O)CC)C4)nn3c(O)c2C1 100234629 FVEOJEIPTCKZSZ-CQSZACIVSA-N 435.550 1.649 0 40 IDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 105114890 KGQXZKRTRFWWPN-HLLBOEOZSA-N 435.546 1.989 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222839331 UGHDJBWKZUXCDW-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB COc1ccccc1NC(=O)COc1ccc(/C=c2\sc3ncnn3c2=O)cc1OC 256055493 IRTRJQQEHUDVEV-ZDLGFXPLSA-N 438.465 1.733 0 40 IDAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3OC)C2)cc1 408660771 VGPSFTNTKPRACH-INIZCTEOSA-N 439.468 1.933 0 40 IDAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1 575426591 WNHMMEWOLKBMQJ-IAGOWNOFSA-N 441.527 1.053 0 40 IDAB COCCCn1c(C)cc(=O)c([C@H](CC(=O)OC)c2ccc3c(c2)n(C)c(=O)n3C)c1O 1547206069 VIAXQCRKAPDRHS-MRXNPFEDSA-N 443.500 1.784 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@H]4C3)ncnc21 1888941906 SUUCMQZQKQVWTL-IYBDPMFKSA-N 428.518 1.230 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)cc1 907959 PLNZBOVIEWBJDN-UHFFFAOYSA-N 436.472 1.598 0 40 IDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)C2=O 8719115 PBMVBAKXPIPTPG-BTYIYWSLSA-N 448.545 1.910 0 40 IDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 9218362 CDNRNUWIXGRLCB-IBGZPJMESA-N 427.530 1.494 0 40 IDAB C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1CCCC1 9339523 BUVGJSIUAVNLDN-ZDUSSCGKSA-N 428.482 1.451 0 40 IDAB CC(=O)Nc1nc(SCC(=O)N2CCOCC2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 9518260 CCXKNYSCLKBERS-UHFFFAOYSA-N 449.464 1.071 0 40 IDAB CC(=O)N1CC2(CCN(C(=O)c3cnc4sc(C)nn4c3=O)CC2)Nc2ccccc21 12086166 RKYQIYTYZALNSJ-UHFFFAOYSA-N 438.513 1.913 0 40 IDAB COc1ccc(CC(=O)NCCc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 12678213 WQYQOCXDUTZGNA-UHFFFAOYSA-N 436.505 1.757 0 40 IDAB O=C(Cn1c(=O)n2nc(-c3ccco3)nc2c2c3c(sc21)CCC3)N1CCOCC1 13720458 JGUDLMNZGGRRTA-UHFFFAOYSA-N 425.470 1.713 0 40 IDAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)NC(=O)NCc1ccco1 15546080 OBFVVLUHMRUYAC-IBGZPJMESA-N 426.473 1.886 0 40 IDAB COc1cn(CC(=O)Nc2cccc(NC(C)=O)c2)c(CSc2nncn2C)cc1=O 16890566 XKZVDQBWEMXVMP-UHFFFAOYSA-N 442.501 1.875 0 40 IDAB CCCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 18523955 HDHPANMGDRHYRM-UHFFFAOYSA-N 439.563 1.160 0 40 IDAB CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)CNS(C)(=O)=O)CCO2)nc2ccccc12 19762763 KIWWAWKVNIZYCT-LJQANCHMSA-N 448.545 1.070 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 20865453 JMWJVOVJIHIOCN-UHFFFAOYSA-N 448.453 1.121 0 40 IDAB C[C@H]1CN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@@H](C)O1 23509123 SOTMWPZMBGAXQR-CALCHBBNSA-N 441.569 1.842 0 40 IDAB CCCCn1c(N)c(N(CC(=O)N2CCO[C@@H](C)C2)Cc2ccccc2)c(=O)[nH]c1=O 27315963 JPTBWKNQOCPKMU-INIZCTEOSA-N 429.521 1.173 0 40 IDAB COc1ccc(-c2n[nH]c(SCC(=O)N3C[C@@H](C(N)=O)Oc4ccccc43)n2)cc1 29412775 WXYUMMMQJMJXIL-INIZCTEOSA-N 425.470 1.852 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 32987855 JBPXBMHPVXIKNU-PZJWPPBQSA-N 435.590 1.861 0 40 IDAB COc1ccc(-n2ncc(C(=O)NCCNC(=O)c3cccs3)c2C(F)(F)F)nn1 40145534 AIBADJZZXHOMGT-UHFFFAOYSA-N 440.407 1.911 0 40 IDAB Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1)CC2 84286938 ZPFPBGQXNMGQOF-RHSMWYFYSA-N 439.482 1.674 0 40 IDAB COc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@@]34C=C[C@H]2O4)cc(OC)c1OC 101457237 DBJBXZBUIBMHFA-LTCHKBIJSA-N 441.440 1.934 0 40 IDAB C[C@@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 225903096 CPNWPLABYAGTHC-QGZVFWFLSA-N 433.626 1.932 0 40 IDAB CNC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)c4ccc(=O)n(C)c4)CCO3)n2)cn1 257303965 SJNLUZSCBBVORY-HXUWFJFHSA-N 433.468 1.416 0 40 IDAB COCc1nc2ccccc2n1CC(=O)N1CCN(CCc2ccccc2)C[C@@H]1C(N)=O 257318589 VOPHOJPALNWLCR-OAQYLSRUSA-N 435.528 1.424 0 40 IDAB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 408713227 OPQVWNKYZSTALB-UHFFFAOYSA-N 433.486 1.369 0 40 IDAB C=CC(=O)N(CC)CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1135533366 KHHJSTLLHAHHDH-UHFFFAOYSA-N 434.345 1.861 0 40 IDAB CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccn(C)n2)C1 1710347733 TXGQTLFBKJVIPQ-GOSISDBHSA-N 445.549 1.254 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NCCc1ccccc1 3313675 RZRDJZSGZQLYBL-UHFFFAOYSA-N 446.525 1.532 0 40 IDAB Cc1cccc(Nc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)s2)c1C 3356074 DQHCOYDZHOUFDL-UHFFFAOYSA-N 432.531 1.853 0 40 IDAB COc1ccc(NC(=O)CN(C)C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 8825464 RIYACTWDUHPWAU-UHFFFAOYSA-N 447.513 1.663 0 40 IDAB CCOC(=O)c1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)cc1 8849709 YRWMKVIWCDBSRZ-UHFFFAOYSA-N 449.467 1.681 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 8870929 NFSHDLYDNGLSFB-UHFFFAOYSA-N 449.554 1.581 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9438941 YGGQCYJYHLEPIX-XNTDXEJSSA-N 427.482 1.739 0 40 IDAB CCCCCC[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 9613751 ZHYCUHTTYBPZSH-HNNXBMFYSA-N 427.571 1.499 0 40 IDAB COc1cc(C(=O)NCc2nc3ccccc3n2C)ccc1OCC(=O)N1CCOCC1 9642305 VPDHXLAJUDGEEH-UHFFFAOYSA-N 438.484 1.750 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)n(C)c1=O 9672275 XAENIWRSONFKFD-AWEZNQCLSA-N 438.513 1.797 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 10188064 HYUVTNSBLUUHSW-NSHDSACASA-N 446.437 1.432 0 40 IDAB C[C@@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)N1CC2(CCOCC2)Oc2ccccc2C1=O 12086880 ZFUIBIVVKKTTJD-YWZLYKJASA-N 436.530 1.152 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1C(N)=O 12901666 LCGYLQDCXZAGKS-UHFFFAOYSA-N 438.937 1.495 0 40 IDAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12972646 NGTHHCFLNWMWRY-KBPBESRZSA-N 445.497 1.756 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)ccc3OC)CC2)cc1 13058566 IMRNGZKRRPQNGY-UHFFFAOYSA-N 433.530 1.957 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CC=C[C@H]1C(=O)NCc1ccc(OC)cc1 19555760 BUFKTGGTFJQIGG-SFHVURJKSA-N 430.482 1.727 0 40 IDAB C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O 23718434 MEMZUXMOWGEJIO-MRXNPFEDSA-N 432.955 1.386 0 40 IDAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 23818236 QHQQNJPIANYDRI-AOMKIAJQSA-N 426.425 1.825 0 40 IDAB O=S1(=O)CC[C@H](N(Cc2cccs2)Cn2nnn(C[C@@H]3CCCO3)c2=S)C1 24988833 ZEVGJXSGUSQAAU-KBPBESRZSA-N 429.593 1.696 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)Nc2c3c(c(OC)c4c2OCO4)CN(C)CC3)CC1 32123786 PNUZQCRJGABQPK-UHFFFAOYSA-N 439.534 1.412 0 40 IDAB biogenic CNC(=O)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 32803335 IBWRCXDIKLNTRC-UHFFFAOYSA-N 434.493 1.401 0 40 IDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1 35400233 GYSVXOXHNCYXDH-UHFFFAOYSA-N 439.545 1.747 0 40 IDAB COC(=O)/C=C1\SCC(=O)N1CCCN1C(=O)C(=O)N([C@H](C)c2ccccc2)C1=O 58180470 SBYUUSBAFLIYCV-YYTPVVGHSA-N 431.470 1.518 0 40 IDAB Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 95404913 APGXSNQTSZPGJG-JOCHJYFZSA-N 440.544 1.410 0 40 IDAB CCOC(=O)c1sc(NC(=O)N2CCO[C@@H](C(=O)NC)C2)c(C(=O)OCC)c1C 96005564 DUSPJHSQFINHTJ-LLVKDONJSA-N 427.479 1.389 0 40 IDAB CN(C)C(=O)CNC(=O)c1ccc2ccc(N3CCN(C(=O)c4ccccc4)CC3)n2c1 96155986 DRKSMNMXTZXPCI-UHFFFAOYSA-N 433.512 1.720 0 40 IDAB CN1CCN(C(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1 96243749 SFZHISQHAKXSPJ-IBGZPJMESA-N 438.532 1.579 0 40 IDAB CCC[C@]1(C(=O)OC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 96295842 YITHMDNOIAFBJL-GEYWLOKFSA-N 434.489 1.690 0 40 IDAB CC[C@@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)COC)CC4)C1 100234605 FOCQSKLOSDZZML-HUUCEWRRSA-N 429.521 1.718 0 40 IDAB CCOC(=O)[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 719640 FLXDKBNUHWAQLZ-IGCXYCKISA-N 436.383 1.839 0 40 IDAB Cc1ccccc1NC(=O)[C@H](C)NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 2126663 SOJAAJNZOAFWND-HLWREBGISA-N 434.489 1.835 0 40 IDAB biogenic Cn1c(=O)c2c(nc(N[C@H](Cc3ccccc3)C(=O)O)n2Cc2ccccc2)n(C)c1=O 2194155 WRTUNDXZORICHG-QGZVFWFLSA-N 433.468 1.590 0 40 IDAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O 9672018 ZFVAHYWWDGURJI-LJQANCHMSA-N 428.411 1.905 0 40 IDAB O=C(CSc1nnnn1C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9832145 ADJSNMOZESXSMH-UHFFFAOYSA-N 448.574 1.122 0 40 IDAB COC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)cc1 10021264 DWHACUIZCLYGBM-QFIPXVFZSA-N 425.441 1.565 0 40 IDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cnc21 10250947 MZAVRCNDSZHSBW-UHFFFAOYSA-N 444.517 1.516 0 40 IDAB CCOCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2C 12231903 JUXHTHNCZJAZOK-UHFFFAOYSA-N 436.516 1.978 0 40 IDAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 13475572 AJWACSICDGPONH-HDICACEKSA-N 428.553 1.717 0 40 IDAB COc1ccc(N2C[C@H](NC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1OC 16047669 GSMXMEBBOIEZFG-OAHLLOKOSA-N 442.472 1.570 0 40 IDAB Cc1ccccc1OCC(=O)N1CCN(CCNC(=O)c2ccc3c(c2)OCO3)CC1 20891181 DGWOXVLYUQSNJI-UHFFFAOYSA-N 425.485 1.677 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)CC(=O)N2CCOCC2)cc1 22079527 QMTDVDCTVOVVLN-UHFFFAOYSA-N 431.514 1.483 0 40 IDAB CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2cnn(-c3ccccc3)c2)c1 22132842 GKCAQVKTYBVROC-UHFFFAOYSA-N 444.513 1.884 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2cc(OC)c(OC)cc2N(C)S(C)(=O)=O)CC1 22251352 CYCNWJRMMCHTNN-UHFFFAOYSA-N 428.507 1.515 0 40 IDAB CN1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2ccc(Cl)cc2)CC1 22926964 QDSGZRSERHEEEI-JENIJYKNSA-N 427.014 1.576 0 40 IDAB biogenic,in-vitro CC(C)CNC(=O)CN1CCN(Cn2nc(-c3ccc4c(c3)OCO4)oc2=S)CC1 23254189 BFGCQEFKAKETTA-UHFFFAOYSA-N 433.534 1.949 0 40 IDAB CN(C)c1nc(N)nc(COC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)n1 24976436 JUKICROWFPJQPS-UHFFFAOYSA-N 435.440 1.879 0 40 IDAB O=S(=O)(c1ccc(Br)s1)N1CCN(c2ncnc3[nH]cnc23)CC1 31808050 YRBAVLLCCJFTSQ-UHFFFAOYSA-N 429.325 1.688 0 40 IDAB CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCCC(=O)N1CCCC1 32716745 YMUGSKIZFYOMLA-FYXHJSOBSA-N 439.603 1.827 0 40 IDAB C[C@H]1C[C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C(=O)O1 32736515 ANQUOSHHTMNJCN-SCLBCKFNSA-N 439.486 1.496 0 40 IDAB C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(=O)N1CCNC1=O 32774423 URNYFTCXXJCVHM-HTQZYQBOSA-N 428.228 1.461 0 40 IDAB C[C@H]1CN(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C[C@@H](C)O1 32899246 IVDMUIJNAONTRO-CALCHBBNSA-N 435.546 1.987 0 40 IDAB O=C1N[C@H](C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CS[C@H]1Cc1ccccc1F 36398565 FXBRIWSYXNDEKC-OALUTQOASA-N 445.516 1.982 0 40 IDAB O=C(CSC[C@@H](O)[C@@H](O)CSCC(=O)Nc1nccs1)Nc1nccs1 40546175 DWNVBUNXOFHDRL-AOOOYVTPSA-N 434.590 1.365 0 40 IDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1sc2nc(COC)nc(OC)c2c1C 72314233 FQYFAWFACCVTML-NSHDSACASA-N 428.536 1.309 0 40 IDAB Cn1c(=O)c2c(nc(N3CCOCC3)n2CCSc2nc3ccccc3o2)n(C)c1=O 96306443 JLCDHXITIFHHGX-UHFFFAOYSA-N 442.501 1.204 0 40 IDAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccc(Br)cc3Br)C(=O)[C@H]12 103129572 WZDRINMQXQMNQM-VHSXEESVSA-N 445.067 1.592 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)n(C)c1=O 219321938 WIOFOCGWGUTNTH-HNNXBMFYSA-N 449.483 1.419 0 40 IDAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223218916 DTEWXZGRHZYXRM-KRWDZBQOSA-N 447.488 1.524 0 40 IDAB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225713347 PXRFUVJATXSJOJ-QFIPXVFZSA-N 444.509 1.851 0 40 IDAB CN(CC(=O)N1CC[C@@H](c2cc(O)n3nc(C(C)(C)C)cc3n2)C1)[C@H]1CCS(=O)(=O)C1 247972285 HVMRCDUMECBZTM-CABCVRRESA-N 449.577 1.167 0 40 IDAB CN1CCN(C(=O)C[C@H]2CN(C(=O)C3CCOCC3)CC[C@@H]2Oc2ccccc2)CC1 257227705 FQNHAKUGSNFWKZ-UNMCSNQZSA-N 429.561 1.873 0 40 IDAB CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc1 502597335 ULZROXUVKKSSTH-GOSISDBHSA-N 434.566 1.929 0 40 IDAB CC(=O)Nc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](NC(C)=O)C2)c1 1541019601 OSLBTSNMPDBXMJ-RBUKOAKNSA-N 439.520 1.341 0 40 IDAB COc1cc(C)c(S(=O)(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)cc1C 1888921711 ZLVZUKHAMGRDEB-IRXDYDNUSA-N 442.545 1.815 0 40 IDAB OC[C@@H](O)[C@H]1OCCCCCCOc2cccc(c2)N(Cc2ccoc2)C[C@@H](O)[C@H]1O 2037972638 NPEGBWQSUXKFAH-SSGKUCQKSA-N 435.517 1.699 0 40 IDAB CC(C)(CNC1=NS(=O)(=O)c2ccccc21)CNC1=NS(=O)(=O)c2ccccc21 1461779 RPAFGOPOSYCWGX-UHFFFAOYSA-N 432.527 1.490 0 40 IDAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1OC 3360943 MMCYZCBGTJXAPX-UHFFFAOYSA-N 434.514 1.963 0 40 IDAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 8709001 KBCCCLKUOGVKFN-QGZVFWFLSA-N 443.554 1.784 0 40 IDAB O=C(c1cn2ccccc2n1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9378305 VWLGGVIGBDADNY-UHFFFAOYSA-N 442.497 1.642 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccc(O)cc1 9576025 BLHRCJAFWSRJDV-AWEZNQCLSA-N 435.477 1.687 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCc2ccco2)c1 9577812 UDCBKOGQUQESID-IBGZPJMESA-N 449.529 1.109 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 9949031 AVTZOCVWPWKNAN-UHFFFAOYSA-N 431.478 1.307 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1NC(C)=O 12508134 LSUPIXPPPNPDOU-UHFFFAOYSA-N 427.504 1.705 0 40 IDAB Cc1ccccc1[C@@H](OC[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 12535237 GMDDPZXFZRNDNK-NQIIRXRSSA-N 434.496 1.909 0 40 IDAB O=C1SCCN1CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 12872226 YSDQDSDIUYSJGX-UHFFFAOYSA-N 426.383 1.943 0 40 IDAB O=c1oc2cc(Cl)ccc2n1CN1CCN(S(=O)(=O)N2CCCCCC2)CC1 14202062 WAGGZUCGDBGDOP-UHFFFAOYSA-N 428.942 1.944 0 40 IDAB O=C(NCc1ccccn1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 17204082 RSRXIAPTYGDZOE-GOSISDBHSA-N 431.445 1.761 0 40 IDAB C[C@H](CN1CCOCC1)C(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 19456242 SCDHZEZXSSBWID-OAHLLOKOSA-N 428.537 1.058 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCN(C(=O)CCc4ccccc4)C3)[nH]c(=O)c2C1 19572780 IVOVROMOMLHXNM-MRXNPFEDSA-N 430.530 1.036 0 40 IDAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)CNC(C)=O)n1 19697424 JEGQNOGMHRIIAG-CQSZACIVSA-N 428.468 1.272 0 40 IDAB CCOC(=O)N1CCN(C[C@@H](O)COCCOc2ccc(Br)cc2)CC1 19938623 QQHLEUBUHJJBHE-MRXNPFEDSA-N 431.327 1.980 0 40 IDAB C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCCC1 20822215 GORPBNYZKORCSS-ZUZCIYMTSA-N 439.317 1.187 0 40 IDAB COCCn1nc(C(=O)NCCc2cc(OC)c(OC)cc2Br)ccc1=O 21961540 CCGIXFUULHKGIJ-UHFFFAOYSA-N 440.294 1.642 0 40 IDAB Cc1cc(CN2CCN(CC(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)no1 22804964 XYSKJNKXUHAUOY-UHFFFAOYSA-N 427.549 1.249 0 40 IDAB CN1CCN(CCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1 22933451 BCAYIMWHUYAGRE-UHFFFAOYSA-N 437.393 1.513 0 40 IDAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(OC)cc2OC)N2CCOCC2)cc1 23107445 QCVWIXSPMQQCPA-FQEVSTJZSA-N 443.500 1.841 0 40 IDAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2)c1C 31717677 IDSIGMFUJRNXSU-UHFFFAOYSA-N 448.483 1.941 0 40 IDAB CCN(CC)C(=O)CN1CCCN(C(=O)CNC(=O)Cc2cccc3ccccc23)CC1 32826983 IINLUKLLVSERAZ-UHFFFAOYSA-N 438.572 1.901 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)cc1 32929498 NNCAFBXRGUYFBC-CALCHBBNSA-N 431.624 1.973 0 40 IDAB CCN(C(=O)[C@H](C)OC(=O)C[C@H]1Sc2ccccc2NC1=O)[C@H]1CCS(=O)(=O)C1 34872015 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CCOC(=O)c1cccc(NC(=O)CN2C(=O)S[C@@H]([C@@H]3SC(=O)NC3=O)C2=O)c1 101375904 DQRAAQANZDULDF-RYUDHWBXSA-N 437.455 1.217 0 40 IDAB COCCNC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 101473179 YVYIAWMOHAULTK-HRCADAONSA-N 443.541 1.178 0 40 IDAB O=C(O)CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3ccco3)c3sc(=O)[nH]c3S[C@H]12 245235264 IOYLOAKNPVOCST-MTUFNJOKSA-N 446.506 1.977 0 40 IDAB Cc1nonc1CN(C)C(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCC3)c2)CCN1C 257295140 QXEFNOGXVKXESY-FQEVSTJZSA-N 426.521 1.393 0 40 IDAB COCCN1C[C@H](C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)CC1=O 257342768 ZQCKQMUYWAUIKL-GOSISDBHSA-N 445.564 1.627 0 40 IDAB CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 409138737 HGKDPXMFFWRVML-LFIBNONCSA-N 434.470 1.524 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(C(=O)O)cc2)c1 500634200 NELHVFJTJCYTDW-UHFFFAOYSA-N 433.486 1.724 0 40 IDAB CC(=O)N1CC(=O)[C@H]([C@H](c2cccnc2)c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])C1=O 524732788 NYKSQASWADIOKX-FCHUYYIVSA-N 432.480 1.888 0 40 IDAB O=c1ccc(-c2cccnc2)nn1CC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 585604536 DNZREOVYUVFNDX-UHFFFAOYSA-N 440.481 1.397 0 40 IDAB O=C(C1CC1)N1CC2(C1)OC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]12 1549162655 ULVRRVXWQVZDTI-OAHLLOKOSA-N 425.894 1.156 0 40 IDAB CC1CCN(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1 930472 IXOUWNDCAHTFDH-UHFFFAOYSA-N 441.557 1.833 0 40 IDAB Cc1nn(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cc1Cl 2732957 RQGKIPNLSREJNV-OAHLLOKOSA-N 442.973 1.494 0 40 IDAB O=C1CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c2ccccc2N1 3355403 QVHFPCPVTSIJGB-ZHACJKMWSA-N 429.454 1.105 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2c1=O 4791343 JROARJIRSSFGGE-UHFFFAOYSA-N 436.512 1.731 0 40 IDAB CCOC(=O)c1csc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)n1 6600005 MBGJQABDUPGSJJ-UHFFFAOYSA-N 434.459 1.755 0 40 IDAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)n1 8915156 CAYNKEUVAAIJJF-LLVKDONJSA-N 447.922 1.346 0 40 IDAB COC(=O)c1ccc(CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)o1 11758288 HOCAHHVNUUTPGN-UHFFFAOYSA-N 428.426 1.959 0 40 IDAB COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1=O 12616159 ZAAFHSCGNQMVOM-CQSZACIVSA-N 434.924 1.124 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 12938921 OBNBHYQEYRONSE-SSTJLMRISA-N 438.429 1.457 0 40 IDAB CCS(=O)(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)CC1 12946114 GATVVDWRFKNYOW-UHFFFAOYSA-N 438.937 1.738 0 40 IDAB NS(=O)(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 14245772 XBYOVBWPMOODFH-UHFFFAOYSA-N 441.506 1.513 0 40 IDAB NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 16013088 HJZSLJCUWMONSV-YDGKCNFYSA-N 438.871 1.136 0 40 IDAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@H](C)Cn3ccc(C)n3)[nH]c2=O)C1 19499098 DTXAHYWDLINNFQ-DNVCBOLYSA-N 440.548 1.959 0 40 IDAB Cc1nc(C2CCN(C(=O)[C@H]3CCCN(CCC(N)=O)C3)CC2)nc2c1CCCN2C 19705726 QGSGCGYJWXJCNP-SFHVURJKSA-N 428.581 1.461 0 40 IDAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F)C(=O)OC 20725482 FTOXAXKTNVVVJE-QFBILLFUSA-N 448.451 1.709 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)c1 20738005 ZXTPOQKBFJMAIR-KRWDZBQOSA-N 443.525 1.581 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1OC 36007440 ZGVRNAQBQRLXAB-UHFFFAOYSA-N 425.551 1.413 0 40 IDAB Cc1ccc2nc(NC(=O)CSc3nnc(Cc4c(C)[nH]c(=O)[nH]c4=O)o3)sc2c1 36708468 WJTHIWCGNBEPBV-UHFFFAOYSA-N 444.498 1.994 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cc(-c2cccnc2)on1 40134208 POWPWNJYGKBUCU-UHFFFAOYSA-N 442.501 1.013 0 40 IDAB CCOCCn1c(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952918 ZULPEQLXOLQYLM-UHFFFAOYSA-N 446.939 1.435 0 40 IDAB O=C(Nc1ccsc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1cnccn1 67335865 ZWAKKTQCOBYGBT-UHFFFAOYSA-N 442.545 1.561 0 40 IDAB O=C(c1ccc[nH]c1=O)N1CCCN(C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1 69384784 KNNPMKHBTGIQOH-SFHVURJKSA-N 440.525 1.265 0 40 IDAB O=C(Cn1nnn(-c2ccc(NC(=O)COc3ccccc3)cc2)c1=O)NCc1ccco1 77100276 DCBOLFFPAYRWQZ-UHFFFAOYSA-N 448.439 1.356 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)NCCn3nc(-n4ccnc4C)ccc3=O)CC2=O)cc1C 77197020 MMFGOCBQPJOZQN-SFHVURJKSA-N 434.500 1.524 0 40 IDAB COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)c1 78869762 VBIVSLMJDYPZNV-UHFFFAOYSA-N 431.474 1.250 0 40 IDAB CC(C)Cn1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2c1=O 79475806 RYJYOWACQOAJST-KRWDZBQOSA-N 431.558 1.602 0 40 IDAB CCC(COC[C@@H]1COC(=O)O1)(COC[C@@H]1COC(=O)O1)COC[C@@H]1COC(=O)O1 145254362 INECIFOTGMOUMW-MGPQQGTHSA-N 434.394 1.039 0 40 IDAB CN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 219271288 BNQIUKVSUAPSHO-AWEZNQCLSA-N 434.499 1.984 0 40 IDAB Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)nnn1-c1ccc(Cl)cc1 257218489 DDICWCOJZBWPBF-QWFCFKBJSA-N 433.940 1.915 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@@H](Oc2ccncc2F)C1 1775974640 KKBMGVYEYACNMH-MRXNPFEDSA-N 435.477 1.535 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CC[C@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888914173 KFRKZGOQOFPRCX-NSHDSACASA-N 446.411 1.838 0 40 IDAB COc1cnc(OC2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)nc1 1889201600 BOZFOXIAYFZPFU-CYBMUJFWSA-N 443.529 1.638 0 40 IDAB COc1ccc(OC)c(-n2nnnc2SCC(=O)NCc2ccc3c(c2)OCO3)c1 932161 MNWRCEJWBUEDBL-UHFFFAOYSA-N 429.458 1.817 0 40 IDAB C[C@H]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)c2C(N)=O)C1 3297852 QDKCOUSQANWOMA-JTQLQIEISA-N 433.511 1.755 0 40 IDAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 9806882 MOUXEBFOXKOCGS-OAHLLOKOSA-N 441.962 1.987 0 40 IDAB COCCNS(=O)(=O)c1ccc(OC)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 9971438 LQNRBRUAFPLFTL-UHFFFAOYSA-N 428.532 1.753 0 40 IDAB CCOc1ccc(NC(=O)CSc2nc(CC)nc3c2c(=O)n(C)c(=O)n3C)cc1 11758069 OPLQCWAAVZJJIM-UHFFFAOYSA-N 429.502 1.719 0 40 IDAB CN(CC(=O)NC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 12783190 VDUIEQZTVNQFHD-UHFFFAOYSA-N 439.456 1.627 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1 13164589 UVQUEMJCVBPHJE-NRFANRHFSA-N 444.513 1.525 0 40 IDAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccccc2F)cc1 13371696 QPSXNQDKXAWIBL-OALUTQOASA-N 427.519 1.606 0 40 IDAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 14124428 BPRYLHFVOZYIHO-JOCHJYFZSA-N 431.456 1.409 0 40 IDAB CCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1cc(OC)c(OC)c(OC)c1)CC2 16986950 KNNVYEITRTZDMG-UHFFFAOYSA-N 445.472 1.159 0 40 IDAB COCCC(=O)N1CCO[C@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)C1 19759488 WYAFZJYFEPHGJI-NRFANRHFSA-N 426.517 1.559 0 40 IDAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCN2S(=O)(=O)N(C)C)cc1 19767150 IWZVYXDOLFGTEL-GOSISDBHSA-N 433.534 1.667 0 40 IDAB COCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 19824317 HSDYWALZNJZZQU-UHFFFAOYSA-N 432.590 1.800 0 40 IDAB COc1cc(NC(=O)COC(=O)Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1OC 22497634 MDPBORAYOPLJEK-UHFFFAOYSA-N 441.440 1.684 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 23958660 UWTFQZGYDHQSRD-UHFFFAOYSA-N 431.558 1.541 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 32820665 YLFIDOCUEXFBLX-CQSZACIVSA-N 446.504 1.999 0 40 IDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CNC(=O)c2ccccc2F)CC1 35301061 WMSXKEOOAVOJGJ-UHFFFAOYSA-N 426.492 1.955 0 40 IDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 35413775 RHDDNCKIPBNYPD-OAHLLOKOSA-N 448.570 1.818 0 40 IDAB O=C(NCc1ccnc(OCc2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 48260591 NDLXCQQZKVLTNW-RTBURBONSA-N 443.525 1.312 0 40 IDAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccc2c(c1)CCC(=O)N2 48313874 ZAVSYWHOFLFGFR-ZDUSSCGKSA-N 433.486 1.676 0 40 IDAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cnn(CC(=O)NCCN(C)C)c3)c12 72295447 LAFPHONCLILUOU-UHFFFAOYSA-N 426.525 1.527 0 40 IDAB CN(C)C(=O)CCN1CCN(C(=O)Nc2ccc(I)cc2)CC1 89310412 PXUNXBJBOOFBIW-UHFFFAOYSA-N 430.290 1.919 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(F)c(Br)cc2F)n(C)c1=O 95435477 GWYOQAROMHDMBS-UHFFFAOYSA-N 428.193 1.113 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]12 100340450 PNMGKNIZLDIVSS-YVCBRDFCSA-N 427.409 1.545 0 40 IDAB Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1C 104895443 SWHDXEYRLIJMQB-SFHVURJKSA-N 430.592 1.204 0 40 IDAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCCSc1ncn[nH]1 222759544 RGVSRBVYYARHMR-UHFFFAOYSA-N 427.552 1.335 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 224221184 AATLFWKLSMFUQV-UHFFFAOYSA-N 441.531 1.253 0 40 IDAB C[C@]1(C(=O)N2CCOCC2)CN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)CCO1 257224655 FCTHYAWMWBQSBA-HSZRJFAPSA-N 440.500 1.762 0 40 IDAB CCOC(=O)N1CCC(N2CCN(C(C)=O)C[C@](O)(COc3cccc(F)c3)C2)CC1 585282070 GTMSTSMXRMMKRB-JOCHJYFZSA-N 437.512 1.721 0 40 IDAB COc1cc2nc(N3CCN(C(=O)c4nnc(SC)o4)CC3)nc(N)c2cc1OC 1846466 MULPYFRDYRZMDS-UHFFFAOYSA-N 431.478 1.297 0 40 IDAB in-man COc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccccc4F)CC3)N2)cc1 8777032 RQMDTVYYSGUAPE-SFHVURJKSA-N 425.464 1.840 0 40 IDAB O=C(NCC(=O)N1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9047268 OKQANVRDSRVVJW-HNNXBMFYSA-N 427.954 1.869 0 40 IDAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9913417 HROQYRRSXKIQKF-UHFFFAOYSA-N 443.525 1.764 0 40 IDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 12407841 HOLDZFZVJQAYEO-MRXNPFEDSA-N 426.491 1.221 0 40 IDAB CCn1c(=O)c(C(=O)CSc2nnc(C3CC3)n2C)c(N)n(Cc2ccccc2)c1=O 12679951 OTYAVACAYMVNOL-UHFFFAOYSA-N 440.529 1.641 0 40 IDAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1 12757274 HNAKRRLMNHHLTJ-UHFFFAOYSA-N 434.503 1.439 0 40 IDAB Cc1cc(C(=O)CN(C)CC(=O)N2CCOCC2)c(C)n1C[C@H]1COc2ccccc2O1 12819645 QPYCDPRXBSTXNO-IBGZPJMESA-N 441.528 1.918 0 40 IDAB CCOC(=O)C1=C(CSCC(=O)OCC(=O)Nc2ccc(F)cc2)NC(=O)N[C@H]1C 13149361 XWVSKXVDZGXUHG-NSHDSACASA-N 439.465 1.559 0 40 IDAB CCN(CC)C(=O)Cn1c(=O)n(CC(=O)Nc2ccc(F)cc2)c(=O)c2sccc21 13592535 IRIGRMWCKUPOKD-UHFFFAOYSA-N 432.477 1.871 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 15881636 MTKKLBWJZYTZAB-UHFFFAOYSA-N 431.514 1.460 0 40 IDAB O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 17170783 FYBQVVQVWDUQMD-UHFFFAOYSA-N 443.500 1.808 0 40 IDAB Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 19201030 AKUKBCRVANJCDG-QGZVFWFLSA-N 436.516 1.399 0 40 IDAB Cc1cnc(C(=O)N2CCO[C@H](c3c(C(=O)N(C)CCO)sc4ncccc34)C2)cn1 19702716 VVSMVONOZKUHCF-INIZCTEOSA-N 441.513 1.673 0 40 IDAB CN(CCO)C(=O)c1cc([C@H]2CN(C(=O)CN3CCCC3)CCO2)nc2ccccc12 19759420 XJZVRQMYTOWIEK-OAQYLSRUSA-N 426.517 1.295 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccccc2)cc1 19943748 DGHVPQNQSFDCIA-UHFFFAOYSA-N 447.557 1.729 0 40 IDAB COc1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC 20609754 JINFHAQXGMKQFX-GOSISDBHSA-N 425.445 1.994 0 40 IDAB biogenic CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 22231256 FPSWABXBMGRWOX-UHFFFAOYSA-N 445.541 1.756 0 40 IDAB CCOC(=O)CS[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 23515199 UWFYWHRNTGIJFJ-CQSZACIVSA-N 430.548 1.639 0 40 IDAB CCOC(=O)c1sc2ncn(CC(=O)NC[C@H]3COc4ccccc4O3)c(=O)c2c1C 32863943 YXUQPFSTILLRFL-ZDUSSCGKSA-N 443.481 1.899 0 40 IDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N(c3ccccc3)[C@@H]3C=CS(=O)(=O)C3)nc2n1 32941820 PWOUPZNXSOJCQT-MRXNPFEDSA-N 441.469 1.242 0 40 IDAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)cc2)c1C 35898072 DQYDSTRAERNLKZ-QXSJWSMHSA-N 435.458 1.909 0 40 IDAB O=C(CCN1CCC[C@H](C(=O)Nc2cnccn2)C1)Nc1ccc(N2CCOCC2)cc1 40149660 OXZNYKQGPBSJNC-SFHVURJKSA-N 438.532 1.993 0 40 IDAB CC(=O)[C@H](C)n1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 57122027 KQRBHBIEQVNESQ-AWEZNQCLSA-N 442.495 1.045 0 40 IDAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCC(=O)NCc1ccncc1 58014370 HUXLBNYUTAPANJ-UHFFFAOYSA-N 425.514 1.555 0 40 IDAB Cc1ccc(Br)cc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 59308977 NXQDLEJCEBPHAY-GFCCVEGCSA-N 428.308 1.862 0 40 IDAB COc1cc(/C=C/C(=O)N2CCNC(=O)[C@H]2CC(=O)O)ccc1OCc1c(C)noc1C 95389825 SVVDFMOFGVSVFF-QQOXCAACSA-N 443.456 1.694 0 40 IDAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(=O)n(C)n3)cc2)nc(C)n1 96123955 VCOUAYJAFZSZEZ-UHFFFAOYSA-N 442.501 1.559 0 40 IDAB CN1CCN(Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccccn3)cn12 96156659 BYCVBLUNALLTLC-OAQYLSRUSA-N 442.527 1.938 0 40 IDAB CC(C)CS(=O)(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251402 MYUYWTFLLDRPQX-NQIIRXRSSA-N 435.594 1.507 0 40 IDAB COc1ccc([C@H](C)NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(C)c2)C3=O)cc1 98213163 ZYWGZGVXALGAOG-KRWDZBQOSA-N 449.511 1.895 0 40 IDAB Cc1cc(C)cc(N2C(=O)C[C@H](N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)C2=O)c1 101312762 JNKVSZDCYLZMSB-UGKGYDQZSA-N 449.507 1.920 0 40 IDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCC(C)CC1 102306947 WQPAJXKZFGBCAQ-UHFFFAOYSA-N 436.505 1.682 0 40 IDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 104812919 WHPCEMIWRPQORT-LJIGWXMPSA-N 426.560 1.917 0 40 IDAB Cc1ccc(CN(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1 224049635 NKQLUYKJJTWWGV-UHFFFAOYSA-N 439.559 1.791 0 40 IDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)C(=O)OCc1cccn1-2 225379343 NQPFSPRZPGFGRX-UHFFFAOYSA-N 437.433 1.931 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 408556265 ZWEILLVVDYIMAK-UHFFFAOYSA-N 426.429 1.515 0 40 IDAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C)cc3)C2)cc1 408659913 TVHIRPLJFCAALL-GOSISDBHSA-N 437.452 1.873 0 40 IDAB O=C(Cn1cnc(-c2ccccc2)n1)NCCCNC(=O)Cn1cnc(-c2ccccc2)n1 563713044 HGJHRNGQVGHTJX-UHFFFAOYSA-N 444.499 1.526 0 40 IDAB Cc1ccc(S(=O)(=O)N(CCCCCC(=O)O)[C@H]2CS(=O)(=O)C[C@H]2O)c(C)c1 575422953 DRUXLMLRGYZCBK-JKSUJKDBSA-N 433.548 1.097 0 40 IDAB COc1ccc(S(=O)(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1F 585147633 KISKDQGODLGKIW-UHFFFAOYSA-N 441.506 1.846 0 40 IDAB O=C(c1cccc2c1OCCO2)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148447 BMJJEOZVHNOOCT-UHFFFAOYSA-N 427.379 1.889 0 40 IDAB COc1cc(C(=O)N2CCCCC3(CCN(C)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)ccn1 643580770 QNEFLJPPFHYGDL-RBUKOAKNSA-N 449.548 1.083 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)c1 1888922061 KURQNCVDZRRFTL-GASCZTMLSA-N 444.517 1.207 0 40 IDAB CN1CCc2c(n(C[C@@H](O)CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c3ccccc23)C1=O 1323339 JVMHZMCCBNIUKG-OTWHNJEPSA-N 446.551 1.911 0 40 IDAB biogenic Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 2134548 JESAKGFQNKXLOS-WGFFODHRSA-N 434.489 1.835 0 40 IDAB biogenic O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(c2ccccn2)CC1 2966829 WRSGSFVDJRVKAI-QGZVFWFLSA-N 434.525 1.878 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N1CCN(C(=O)c2ccco2)CC1 3266975 JAOBNIFIMMUVEX-QHCPKHFHSA-N 436.468 1.348 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ncnc4sccc34)CC2)cc1 3512511 ISSPZEGMNSPLBM-UHFFFAOYSA-N 432.527 1.912 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2c1=O 8609441 ZZIRNRHBEULDDP-UHFFFAOYSA-N 442.903 1.952 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 9291240 CBETWTCGHZUTSL-GOSISDBHSA-N 449.511 1.808 0 40 IDAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 9580165 QKGQBOGPXOVQDL-JQWIXIFHSA-N 425.488 1.591 0 40 IDAB O=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1 9806033 VSPVNBLLDKQCJT-SFHVURJKSA-N 449.960 1.968 0 40 IDAB CN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 12515597 XXAYWFIFRLGMIX-UHFFFAOYSA-N 431.514 1.427 0 40 IDAB CN(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCS(=O)(=O)C1 12553413 HJKSFCBMYVOBJN-NSHDSACASA-N 429.292 1.081 0 40 IDAB Cc1c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)cccc1-n1cnnn1 14233565 UGYWVPSCBSFMSV-UHFFFAOYSA-N 426.911 1.945 0 40 IDAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)N1CCN(c2ccccn2)CC1 16251740 DYLCNZQZZBRMQU-KRWDZBQOSA-N 426.498 1.777 0 40 IDAB Cc1c(S(=O)(=O)N2CCO[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cnn1C 19703289 PMHHDJDVCRIARB-AWEZNQCLSA-N 449.558 1.802 0 40 IDAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)C1 20244408 WYWSGVKVSPCXHQ-CALCHBBNSA-N 428.574 1.923 0 40 IDAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCc1ccccn1 22249261 OLFKWWJSJUYPPA-UHFFFAOYSA-N 425.894 1.451 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)CC1 23712653 QPWNYRCRDHCAFE-UHFFFAOYSA-N 427.523 1.640 0 40 IDAB CCOC(=O)COc1cccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1 25275346 BCUKMQFENKKKKL-UHFFFAOYSA-N 448.497 1.902 0 40 IDAB NC(=O)c1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccs4)c(=O)nc2-3)cc1 32616277 WJFQOYGKOPRAQR-UHFFFAOYSA-N 435.465 1.357 0 40 IDAB COCCOC(=O)c1c(NC(=O)CNCc2cccc(OC)c2)sc(C(N)=O)c1C 57999646 LTUWWMHOFFANFI-UHFFFAOYSA-N 435.502 1.696 0 40 IDAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)c1 59488010 VDTPQSMPHAKDCF-IRQJKIPJSA-N 429.448 1.988 0 40 IDAB biogenic CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@H]2C(N)=O)c1 60242073 BCTSRYNTGSTLPY-IBGZPJMESA-N 430.530 1.572 0 40 IDAB Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CCN(C1CCOCC1)C2 71890406 JWTOCEVOPNUUCZ-MRXNPFEDSA-N 425.533 1.974 0 40 IDAB CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cccs2)CC3)C1=O 96036553 HKZYJYHERQPDTN-LJQANCHMSA-N 425.576 1.484 0 40 IDAB O=C(NCCc1ccccc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccncc1)S3(=O)=O)O2 96145990 MYAPTCZMMAYXOZ-URVUXULASA-N 442.541 1.391 0 40 IDAB Cc1ccc(NC(=O)c2ccc3nnc([C@@H]4CN(c5ncccn5)CCN4C)n3c2)cn1 96156702 CMMINYKSJDVDBD-SFHVURJKSA-N 429.488 1.968 0 40 IDAB Cc1cc(C)n2nc(CCCOC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)nc2n1 97159656 WARUIXUUULAOHA-VKJFTORMSA-N 432.550 1.943 0 40 IDAB Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100789982 MOMBTNLTSZMDFH-GASCZTMLSA-N 430.457 1.604 0 40 IDAB O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 101499518 OXJJHGXTIMWYAZ-IJEWVQPXSA-N 446.978 1.852 0 40 IDAB O=C1CN(C(=O)CCC(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c2ccccc2N1 506172760 DRJJSXRNBNRQBP-OAHLLOKOSA-N 427.486 1.838 0 40 IDAB COCc1noc(C2(NC(=O)c3cc(F)c(N4CCOCC4)c(F)c3)CCOCC2)n1 585114026 KHBZKGDGEGQYFD-UHFFFAOYSA-N 438.431 1.767 0 40 IDAB CS(=O)(=O)NCC(=O)N1CCC2(CCCCCOc3ccccc3C(=O)NC2)CC1 643552017 WEJGGONKMIUTLC-UHFFFAOYSA-N 437.562 1.527 0 40 IDAB CCOc1ccc(CN2CCCCc3ccccc3OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C2)cc1 643583822 BRWZQPVSXZVHOX-WREZULKGSA-N 445.556 1.746 0 40 IDAB CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2ccc(OC)c(OC)c2OC)CC1 670416064 DPVFPTTWUHEBFH-CQSZACIVSA-N 443.504 1.824 0 40 IDAB Cc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1 924110 MDRMIIPKLGEMQK-UHFFFAOYSA-N 430.482 1.791 0 40 IDAB Cc1cccn2c(=O)c3c(nc12)N(C)[C@@H](c1ccccc1)C1(C3)C(=O)N(C)C(=O)N(C)C1=O 2353331 UAABGWPJUUWHRD-KRWDZBQOSA-N 445.479 1.773 0 40 IDAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 4077260 GEEQKJAEZUJADN-CABCVRRESA-N 437.591 1.693 0 40 IDAB CN1CCN(S(=O)(=O)c2cnccc2N2CCN(c3cccc(Cl)c3)CC2)CC1 4395682 NMVGCIQDPVXBLI-UHFFFAOYSA-N 435.981 1.998 0 40 IDAB Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 9130021 HNRXJCZEOHTRIT-BORCDFBASA-N 443.463 1.927 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nnc(SCc3ccccc3)s2)n(C)c1=O 9468142 KZTNANFSNOBGIS-UHFFFAOYSA-N 443.514 1.216 0 40 IDAB CC(=O)Nc1ccc(CC(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 9643811 OENSEQYALYBDSD-HXUWFJFHSA-N 444.509 1.951 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cc(F)ccc4F)[C@H]3C2=O)cc1OC 9675777 SIDFERKYXAITDQ-QZTJIDSGSA-N 445.382 1.914 0 40 IDAB COC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 10273029 LUIZNRTUWKQHNG-LJQANCHMSA-N 446.481 1.959 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1 12557397 UXMMGFZNIVBRBN-UHFFFAOYSA-N 430.530 1.614 0 40 IDAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12677801 DYWCSBZOKWIYFA-UHFFFAOYSA-N 427.473 1.548 0 40 IDAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCOc1ccccc1F 12931818 IGYIXRGZSAGPIA-UHFFFAOYSA-N 428.507 1.646 0 40 IDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1cc(=O)n2cc(C)ccc2n1 16823698 WZHXWZSDSODPRC-IBGZPJMESA-N 441.509 1.823 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)N3CCOCC3)c3ccccc3)CC2)s1 16926407 SMAIJCABRHKGQF-FQEVSTJZSA-N 449.598 1.963 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 19520273 HPAXFSBPJFEMEN-SFHVURJKSA-N 445.545 1.557 0 40 IDAB CN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)CCCN4CCCC4=O)C3)cc2n1 19585618 NOLOOIVYYIXISY-OAHLLOKOSA-N 426.521 1.493 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc4c(cc3N(C)C)n(C)c(=O)c(=O)n4C)CC2=O)cc1 20367540 NYGWSQHTTGZLTK-HNNXBMFYSA-N 449.511 1.603 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(N3CCC(NC(=O)c4ccccc4)CC3)nc2)CC1 24894112 GVLXFUZVUAUYNF-UHFFFAOYSA-N 443.573 1.417 0 40 IDAB CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)CC1 36615234 CUZFFPRMEXIMJO-UHFFFAOYSA-N 431.319 1.348 0 40 IDAB C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(C[C@@H](O)c2ccc3c(c2)OCO3)C1=O 58105574 DTFADJSNGLVDLA-FOIQADDNSA-N 432.454 1.319 0 40 IDAB O=C(CCN1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1)N1CCOCC1 59811148 RVECXRNXQIXSQD-UHFFFAOYSA-N 444.536 1.968 0 40 IDAB Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(C(=O)c3ccc(C)[nH]c3=O)CC1)O2 72394384 CMEOSPGYGORMCP-UHFFFAOYSA-N 445.541 1.821 0 40 IDAB COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](CCSC)NC(N)=O)CC1 89396276 VNIPERSPTHLMEW-HOTGVXAUSA-N 442.969 1.488 0 40 IDAB Cc1sc2nc(CN3CCN(C(=O)CCOC[C@H]4CCCO4)CC3)[nH]c(=O)c2c1C 95347341 XUFASWGRQJDQMU-MRXNPFEDSA-N 434.562 1.831 0 40 IDAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1C1CC1 102573567 IUHKIXSJMPHWJU-OAHLLOKOSA-N 432.329 1.590 0 40 IDAB O=C(CN1CCC[C@@H]1c1nnc2ccccn12)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 105553529 FFORUPXOIIASJN-KZNAEPCWSA-N 447.561 1.061 0 40 IDAB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 223790463 WMBHHLZZHZSTFT-UHFFFAOYSA-N 433.486 1.991 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 226035057 WHWXUYPKPNKIOP-UHFFFAOYSA-N 439.559 1.646 0 40 IDAB CCN1CCN(CCNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CC1 249694906 PUGIRCRHHJYSCK-KTXJPYHWSA-N 426.561 1.695 0 40 IDAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)cc2)c1 408590065 GVGPNWGRQNMKDQ-UHFFFAOYSA-N 447.557 1.931 0 40 IDAB CC(=O)N1CC[C@](C)(C(=O)NCC2CCC(CNC(=O)[C@@]3(C)CCN(C(C)=O)C3)CC2)C1 531087718 CGDZOVODFPXYRG-WVYIWEFDSA-N 448.608 1.542 0 40 IDAB CCS(=O)(=O)N1CCC(CNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1 544479719 DXCOFQRVYWBJEV-LJQANCHMSA-N 427.542 1.377 0 40 IDAB CCOCC(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OC[C@H](C)NC(=O)C1 643559257 SMPQEIZRBASEKQ-AWEZNQCLSA-N 425.913 1.612 0 40 IDAB COc1cc(=O)n(C)cc1C(=O)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775995030 PJLPPUPVSVFFNC-LBPRGKRZSA-N 437.294 1.878 0 40 IDAB O=C(Nc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363886 UKOLBCSKCQWWMQ-AWEZNQCLSA-N 430.465 1.841 0 40 IDAB O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1 5763573 LODRYEJATFVXFB-KRWDZBQOSA-N 427.592 1.766 0 40 IDAB Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 9620180 ZGDKKGHVOGFZRQ-FQEVSTJZSA-N 434.537 1.834 0 40 IDAB Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1-c1ccc(Br)cc1 9713063 WIEJMSRSMUTUEM-UHFFFAOYSA-N 445.277 1.003 0 40 IDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9762553 UWRSMHYKYWQDQM-QUCCMNQESA-N 438.553 1.991 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3C3CC3)CC2)c1 9835652 JXMCHRTVYFYKHR-UHFFFAOYSA-N 436.563 1.250 0 40 IDAB CN1CCN(n2c3c(c(SCC(=O)NCc4ccc(F)cc4)nc2=O)CCC3)CC1 10255102 UBXNMPKRIUMZLH-UHFFFAOYSA-N 431.537 1.163 0 40 IDAB CC(=O)Nc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)cc1 12033618 XLPZKFIRLTUKJQ-UHFFFAOYSA-N 442.457 1.887 0 40 IDAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 12554366 DSRKOOVXMUXAGD-AWEZNQCLSA-N 448.520 1.825 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)Nc1ccc2c(c1)OCO2 12786251 ZTYBQOGLAXZUOL-MRXNPFEDSA-N 434.518 1.659 0 40 IDAB O=C([C@@H]1CN(C(=O)c2cnc3n(c2=O)CCS3)c2ccccc2O1)N1CCCCC1 12990958 LWMTZHWJGWVPLM-KRWDZBQOSA-N 426.498 1.769 0 40 IDAB CSCC[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 15973369 RHYOENXZKCWYKI-COXOKUMDSA-N 449.960 1.993 0 40 IDAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2)cc1 16293279 OZTSNCMQBZZEJE-UHFFFAOYSA-N 431.514 1.899 0 40 IDAB O=C(CCc1ccsc1)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 19196341 JZHHZGYXCJVUJK-UHFFFAOYSA-N 436.555 1.898 0 40 IDAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2nc[nH]n2)CCO1 19449730 SJIBKAMOTWDLIL-QHCPKHFHSA-N 434.500 1.845 0 40 IDAB CCS(=O)(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCOCC1)CC3 19520322 PUVHUHSXQYGESU-SFHVURJKSA-N 435.550 1.459 0 40 IDAB Cc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)s1 19560146 DEFRPBHTYPGNAH-UHFFFAOYSA-N 446.558 1.702 0 40 IDAB CS(=O)(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699965 UUMHIYTWBNEHBB-SFHVURJKSA-N 434.562 1.040 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 23909302 BYEZHPICBXPPRC-UHFFFAOYSA-N 446.485 1.997 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2cncc(Br)c2)cc1 24844205 LQTZUJIXPHDHSI-UHFFFAOYSA-N 441.303 1.976 0 40 IDAB CN(CC(=O)N1CSC[C@H]1C(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 40089955 GCYWWZFKSKEUSI-INIZCTEOSA-N 445.994 1.875 0 40 IDAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 58135391 PURDDUJLVRNNFJ-UHFFFAOYSA-N 429.420 1.876 0 40 IDAB CN1C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3(C)C)cc2C1=O 72307361 OIOYMRWICMDFGI-UHFFFAOYSA-N 437.518 1.932 0 40 IDAB CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1 95436361 WJNBBVVJZNFXBU-IAGOWNOFSA-N 433.553 1.866 0 40 IDAB COC(=O)c1cc(S(=O)(=O)Nc2ccnnc2C)ccc1I 95944078 PBQJDRDBLVCRDQ-UHFFFAOYSA-N 433.227 1.977 0 40 IDAB COc1cccc(-c2noc(CNC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)n2)c1 219672287 CEIJPHCFJFCHOH-UHFFFAOYSA-N 442.453 1.596 0 40 IDAB COc1cccc(OCCNC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 223657515 XEUQCDOGQDDCQQ-UHFFFAOYSA-N 438.502 1.674 0 40 IDAB Cc1ccc(CNC(=S)Nc2nc(N3CCOCC3)cc(N3CCOCC3)n2)cc1 225943351 PUFNFHZFIDZQEW-UHFFFAOYSA-N 428.562 1.945 0 40 IDAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCC(=O)N2CCNC(=O)C2(C)C)n1 257303047 SFOGWYSBSCIJOC-SFHVURJKSA-N 438.532 1.756 0 40 IDAB CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cc(C)c3c(=O)n(C)c(=O)n(C)c3n1)C(=O)N2 606369398 PACXLANGSIFIDU-CQSZACIVSA-N 435.484 1.359 0 40 IDAB Cn1c(N2CCOCC2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C 6444971 DHLDDMBZBQKGNE-UHFFFAOYSA-N 434.294 1.081 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 8877180 FZBWEYSWJJZSOF-AWEZNQCLSA-N 433.461 1.672 0 40 IDAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)ccc12 8964539 MAQWCHLPIMCYTG-WBMJQRKESA-N 432.477 1.345 0 40 IDAB biogenic COc1ccc(Cn2nnnc2SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)cc1 9384864 KSCYNCSRGQBEQU-UHFFFAOYSA-N 444.517 1.010 0 40 IDAB Cc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 9569901 KOECXJAUNSIKST-UHFFFAOYSA-N 435.521 1.781 0 40 IDAB Cc1nc(S)nc(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9583823 IHSDNVZLUSMUNC-UHFFFAOYSA-N 438.550 1.987 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 9766577 LHGVOANAUXJEQK-OAQYLSRUSA-N 442.497 1.583 0 40 IDAB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cccc(C)c1 9974841 LERJREBRRWXADA-WHZJULEDSA-N 437.445 1.030 0 40 IDAB Cc1ccccc1-c1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 11883405 LKWFXMOQLQETTB-UHFFFAOYSA-N 425.514 1.717 0 40 IDAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 12030316 QXUWKAGZQAZOEB-LJQANCHMSA-N 437.539 1.629 0 40 IDAB CCN(CC)CCN(C(=O)CN1C(=O)CCC1=O)c1nc2cc3c(cc2s1)OCCO3 12140887 LEHVIPBOZQRAGS-UHFFFAOYSA-N 446.529 1.891 0 40 IDAB COC[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(CCN(C)C)C2=O)C1 12166510 WIMWKHGBFMDMTC-SBUREZEXSA-N 433.524 1.659 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCCC[C@H]2C)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12276813 DWZVRRZEYJUNLW-CYBMUJFWSA-N 440.479 1.919 0 40 IDAB CS(=O)(=O)CCC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 12927010 LMMKJXKJAJILTL-UHFFFAOYSA-N 437.440 1.103 0 40 IDAB COc1ccc(OCCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)cc1 13371586 NCZUPWRMWNIPIW-OALUTQOASA-N 443.518 1.442 0 40 IDAB COc1ccc(CCn2nnnc2CN2CCN(C(=O)c3ccco3)CC2)cc1OC 13505587 OCFLXOIUWZIVJU-UHFFFAOYSA-N 426.477 1.484 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2=O)cc1 14137484 PWELERLJZPFVOG-FQEVSTJZSA-N 431.470 1.504 0 40 IDAB CC[C@]1(C)NC(=O)N(NC(=O)CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 15483320 CCIPKQWNVUAAJA-KRWDZBQOSA-N 445.398 1.207 0 40 IDAB CC[C@@H]1C(=O)NCCN1CC(=O)N1C[C@@H](c2csnn2)[C@H](c2cccc(OC)c2)C1 19500865 CEUFKZQPFITOAR-YQVWRLOYSA-N 429.546 1.467 0 40 IDAB COc1ccc(CNC(=O)Cn2nc3n(c2=O)-c2cc(Cl)ccc2C2=NCCN23)cc1 19555754 LKSLTUHOXXDGIU-UHFFFAOYSA-N 438.875 1.593 0 40 IDAB COc1ccc2c(c1)OC1(CCN(C(=O)CNC(=O)c3cncc(O)c3)CC1)CC2=O 19562957 FFUSBIVNEHYMHX-UHFFFAOYSA-N 425.441 1.552 0 40 IDAB O=C(NCc1ccc(F)cc1)c1ccc(=O)n(CC(=O)N2CCN3CCCC[C@@H]3C2)c1 19751574 ITKIJMHOXMGURB-HXUWFJFHSA-N 426.492 1.614 0 40 IDAB COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 19819928 VXBIMXBUQUUHHQ-LJQANCHMSA-N 433.530 1.691 0 40 IDAB CCOC(=O)C1=C(CSc2ccc(S(=O)(=O)N(C)C)cn2)NC(=O)N[C@@H]1CC 23291981 IGWZCGSYJSQTFM-GFCCVEGCSA-N 428.536 1.333 0 40 IDAB COc1ccccc1COC[C@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 23389958 WXRSAOYOHZGLNR-LJQANCHMSA-N 438.521 1.718 0 40 IDAB O=C(Cn1cccc2c(=O)n(Cc3cccs3)c(=O)nc1-2)Nc1ccc2c(c1)OCO2 32616279 ZMPAXUNLGALSNR-UHFFFAOYSA-N 436.449 1.987 0 40 IDAB O=C(CCn1nc(O)ccc1=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 32675456 HUBIJRBYFUHPNB-UHFFFAOYSA-N 436.424 1.636 0 40 IDAB CC(C)[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C(=O)NC(N)=O 40159030 FXMJCXSTBQOZIH-CQSZACIVSA-N 431.898 1.501 0 40 IDAB C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(C[C@H](O)c2ccc3c(c2)OCO3)C1=O 58105555 DTFADJSNGLVDLA-YWZLYKJASA-N 432.454 1.319 0 40 IDAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1ccc(C(N)=O)cc1 59010207 DQQGHHKIGKYUAZ-SFHVURJKSA-N 442.468 1.871 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 67286965 TVTOSGSIPMGMDU-IBGZPJMESA-N 432.546 1.744 0 40 IDAB Cc1cc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccncc3)cc2)n(C)n1 67896790 XVMRUCXNQIGJIP-IFMALSPDSA-N 435.484 1.837 0 40 IDAB biogenic,in-vitro NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc3ccccc3c2O)cc1 89873114 KADASWIDGWWLSN-UHFFFAOYSA-N 428.466 1.709 0 40 IDAB COc1cn(CC(=O)N2CCN(c3ccccn3)CC2)c(CN2CCCCCC2)cc1=O 96224236 DFNWSGZMLIVVMS-UHFFFAOYSA-N 439.560 1.977 0 40 IDAB CC(C)NC(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CCC(N(C)C)CC4)cn23)C1 96267584 MYWXHMJSZBAAQQ-INIZCTEOSA-N 427.553 1.803 0 40 IDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 100251647 WZRCDLPEIZROLC-SUWCGCSTSA-N 443.408 1.163 0 40 IDAB C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222895281 WIDXRAWIRNRRMQ-HNNXBMFYSA-N 436.509 1.146 0 40 IDAB CCS(=O)(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 225963757 IZMRUXCUPYKYLO-UHFFFAOYSA-N 425.532 1.465 0 40 IDAB COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(OC)c3)[C@H](O)[C@H]2N(C)CCO)cc1 257239095 HNXXEPUHOPSKKQ-CZYKHXBRSA-N 430.501 1.307 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2CN(C(=O)c3ccn(C(C)C)n3)CCN2C)cc1C 257272471 NCOBSQCTPCNBAQ-FQEVSTJZSA-N 427.549 1.896 0 40 IDAB CC1(C)C[C@H](O)[C@H]2CC[C@](CNC(=O)CNS(C)(=O)=O)(c3ccccc3)CC[C@@H]2O1 257282707 OUXRJRGWRJIUNY-GHDARCQNSA-N 438.590 1.708 0 40 IDAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 409393828 YIYBKCBCOAWPLT-UHFFFAOYSA-N 441.531 1.347 0 40 IDAB C1CC[C@@H](NCCOCCN[C@@H]2CCCC[C@H]2N2CCOCC2)[C@@H](N2CCOCC2)C1 566953420 LZAUUWNWCIYZHY-YCAMKHIRSA-N 438.657 1.469 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3ccc(F)c(C)c3)C2)CC1 585282638 LYOUDAIBMVAAIU-UGKGYDQZSA-N 440.512 1.294 0 40 IDAB COc1ccccc1C(=O)N1CCC2(CCCCOCCNC(=O)[C@H](C)NC2=O)CC1 643564917 NFEIOKKIVXEKHR-KRWDZBQOSA-N 431.533 1.739 0 40 IDAB O=C(O)CCOCCOCCOCCOCCOCCOCCOCc1ccccc1 888087392 YZCWMBJKYDIQOU-UHFFFAOYSA-N 444.521 1.778 0 40 IDAB CCC(CC)NC(=O)c1nnc(N2CCO[C@H](COC)C2)n1CCNC(=O)C(C)(C)C 1513418352 QWBYYPPJEVRXCU-INIZCTEOSA-N 438.573 1.210 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@@H](O)COc1ccc2ccccc2c1 678535 JRLVWXKNAUFMHF-CYBMUJFWSA-N 445.273 1.779 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC[C@H]2CCCO2)C2CCCC2)cc1 4410654 FDRSAIQABKIHNT-GOSISDBHSA-N 437.562 1.340 0 40 IDAB Cn1nc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc2c1=O 9417209 KXXBORPAQNSINT-LJQANCHMSA-N 434.452 1.200 0 40 IDAB COC(=O)C1CCN(C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)n2N)CC1 9630804 NYXBXACSUUDRMM-UHFFFAOYSA-N 441.460 1.764 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1C 10027164 XTVXWAHOWYCDPT-UHFFFAOYSA-N 425.532 1.925 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 12923429 ZJSRDXXNIMDZOV-CYBMUJFWSA-N 438.440 1.609 0 40 IDAB Cn1c(CCNC(=O)[C@@H]2COc3ccccc3O2)nc2cc(NS(C)(=O)=O)ccc21 13691307 CAWCRBGPNAUEGN-SFHVURJKSA-N 430.486 1.444 0 40 IDAB COc1ccccc1NC(=O)Cc1noc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)n1 16695310 JQKAOBZHEZYVKC-QGZVFWFLSA-N 429.477 1.083 0 40 IDAB Cc1cc(C)n(CC(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3ccc(F)cc3)c2N)c(=O)n1 19572335 YTYYBLNBHTVTLT-GOSISDBHSA-N 438.463 1.641 0 40 IDAB CC(=O)N1C[C@H](c2ccc(CN(C)C(=O)CN3CCc4ccccc4C3)cc2)[C@@H](C(N)=O)C1 19699232 VWIKEHMOSOJZEW-RPWUZVMVSA-N 448.567 1.751 0 40 IDAB CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(CCO)CC2)cc1OC 22626946 BLUQLBUVPAPJAA-GOSISDBHSA-N 447.561 1.911 0 40 IDAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)cc1 23058017 QGUVAGYZXDLBIB-UHFFFAOYSA-N 436.559 1.029 0 40 IDAB CNC(=O)CSc1nnc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)s1 23141732 PCYNFVKUKNIYNH-UHFFFAOYSA-N 425.967 1.921 0 40 IDAB O=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)NCCCn1ccnc1 23142178 IXCMRVMOLBPEQJ-UHFFFAOYSA-N 428.518 1.487 0 40 IDAB O=S(=O)(NCCNc1cc(-n2cccn2)ncn1)c1ccc(OC(F)(F)F)cc1 23144562 CPDRPPCASRQGIM-UHFFFAOYSA-N 428.396 1.951 0 40 IDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 32443493 ILCNFQZCNGCXRK-CYBMUJFWSA-N 425.429 1.632 0 40 IDAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cn(CC(N)=O)c4ccccc34)C2=O)c1 33694398 FAYZKQNXXKZCOM-ZDLGFXPLSA-N 431.452 1.966 0 40 IDAB O=C(CNc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1)N1CCOCC1 40545785 QSGIUWBUHUMOGC-UHFFFAOYSA-N 436.559 1.518 0 40 IDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 43746839 IFGOVMJYCMDUSM-CVEARBPZSA-N 432.480 1.529 0 40 IDAB biogenic CCOC(=O)C(=O)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72338445 ZCYHXPGRZVZQRG-QGZVFWFLSA-N 425.489 1.644 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC[S@](=O)C[C@@H]1C 78969407 QHIUIWQFQJNHFO-RKOGDMNLSA-N 427.592 1.561 0 40 IDAB CC(=O)Nc1ccc(OC[C@H](O)CN(c2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1 95117055 VEQJRPWKFKPLPI-LJQANCHMSA-N 435.502 1.809 0 40 IDAB COc1ccc(CCN2C(=O)C[C@@H](N3CCN(c4ccccc4O)CC3)C2=O)cc1OC 103292389 VZWMUQXNWLYXMU-LJQANCHMSA-N 439.512 1.902 0 40 IDAB COc1cccc(OCCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 223659836 UEMSEDDXLBDGOA-UHFFFAOYSA-N 438.502 1.674 0 40 IDAB COc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 224499191 WJNWHFWQLIMMNB-UHFFFAOYSA-N 438.477 1.664 0 40 IDAB C[C@H](C(=O)N[C@H]1CN2CCC1CC2)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 253371339 AXRNCBUBDSKAOW-BIFSNJIPSA-N 425.533 1.150 0 40 IDAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)c1 260728365 ARFMIOUPVJHZIF-QGZVFWFLSA-N 434.470 1.574 0 40 IDAB CCN(Cc1ccccc1)C(=O)c1cn2c(nc1=O)[C@]1(CCN(S(C)(=O)=O)C1)CC2 306126025 DJVPMIDMOSDMHI-NRFANRHFSA-N 430.530 1.212 0 40 IDAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1cccc(Br)c1 408627341 ZKADYHLPFPHFLP-UHFFFAOYSA-N 434.356 1.054 0 40 IDAB Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O 575426625 XDVBLTVYONOURX-DLBZAZTESA-N 429.947 1.997 0 40 IDAB CC(=O)N1CCCN(C)CCN(C(=O)CCNC(=O)c2cccnc2)Cc2ccccc21 643557175 KDQKPCCELKBXRQ-UHFFFAOYSA-N 437.544 1.919 0 40 IDAB CCn1nc(C)c(S(=O)(=O)N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)c1C 2087043991 JBCBRWZYFDHHEI-IAGOWNOFSA-N 430.578 1.864 0 40 IDAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(C3CCC3)[C@@H](CNC(=O)c3ccccc3)C(=O)N2C1 2332242176 NWMTUJGMHLVFRB-IHPCNDPISA-N 427.549 1.330 0 40 IDAB Cc1cc(C)n2nc(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)nc2n1 8723914 XVOQMNFHIFOSDC-UHFFFAOYSA-N 434.453 1.153 0 40 IDAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(=O)(=O)NCc1ccccc1 9094975 FROQQNWYCMGSIU-UHFFFAOYSA-N 431.514 1.511 0 40 IDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 9111973 YXKDMTVGNAXVIP-UZLBHIALSA-N 437.493 1.161 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)CC1 9300909 ONUZJOYQYQDZSY-CQSZACIVSA-N 442.497 1.845 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)N(CCc1ccccc1)Cc1cccs1)c(=O)n2C 9516284 VZMGDAOITXKQPN-UHFFFAOYSA-N 437.525 1.767 0 40 IDAB Cn1ccnc1[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 10656681 IXJRBELMLUHZBJ-LJQANCHMSA-N 441.488 1.894 0 40 IDAB C[C@H]1CN(C(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@@H](C)O1 12591939 LIKGULSBNRTINB-OKILXGFUSA-N 443.477 1.856 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NCC(=O)N2CCNC2=O)c1 15294316 RBZUPCQVYRSDNI-UHFFFAOYSA-N 437.566 1.671 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)O 15956509 CIKMDCQKPKFRRX-FKIZINRSSA-N 432.473 1.829 0 40 IDAB biogenic O=C(COC(=O)[C@@H]1CCCO1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 16043851 SSQCSENNUJVQDO-HNNXBMFYSA-N 432.882 1.022 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)nc(O)c2C1 19081292 YXWIXMSWGIGSDP-ZDUSSCGKSA-N 425.555 1.099 0 40 IDAB CCOc1ccc([C@@]2(C)C(=O)N(CN3CCOCC3)C(=O)N2CN2CCOCC2)cc1 19312602 HQISKOUIEFIJGP-QFIPXVFZSA-N 432.521 1.144 0 40 IDAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(OC)c2OC)C[C@H]1c1ccnc(N2CCCC2)n1 19591939 AKHJQACHQRNJAE-IAGOWNOFSA-N 439.516 1.696 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3cccc(F)c3)CC1)C2=O 19699367 NHIXOWYTOKAGPY-UHFFFAOYSA-N 444.507 1.999 0 40 IDAB O=C(C[C@H]1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)NCc1ccccc1 19817491 YKJHBWYNMPHPSN-NRFANRHFSA-N 433.512 1.963 0 40 IDAB O=C(NC[C@H]1CCCO1)c1ccc2c(=O)c(S(=O)(=O)c3ccccc3)c(O)[nH]c2c1 20530015 ZGJIEMRIKRBRNY-CQSZACIVSA-N 428.466 1.975 0 40 IDAB Cc1nn2c(-c3ccc(S(=O)(=O)N4CCN(CCO)CC4)o3)nnc2c2ccccc12 20547722 QQRKYPCZULOWAF-UHFFFAOYSA-N 442.501 1.145 0 40 IDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC(=O)N(c2ccccc2)C1 20734702 KCAUDOHWXOPHIW-ROUUACIJSA-N 434.496 1.325 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCS(=O)(=O)c1ccccc1 70036456 PQWJFXBRIIJTBN-UHFFFAOYSA-N 432.470 1.223 0 40 IDAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(CC(=O)NCC3CC3)nc12 72347055 PNMHHHWKKXZRTK-IYBDPMFKSA-N 438.532 1.766 0 40 IDAB CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccsc2)CC3)C1=O 96036544 UCEAMVRYHGZUQH-IBGZPJMESA-N 425.576 1.484 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@H]1[C@H]3Sc2[nH]c(=O)sc2[C@H]1c1ccccc1 100531337 GBYMFODZINXBOP-VQUWHCFCSA-N 442.518 1.994 0 40 IDAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)c1 169687030 UFHDQKZEMIEXQO-DVSDUFGPSA-N 443.408 1.129 0 40 IDAB S=C(NCCN1CCOCC1)Nc1nc(Sc2ncccn2)cc(N2CCCC2)n1 225903345 BLKPNCJPIAHBTE-UHFFFAOYSA-N 446.606 1.637 0 40 IDAB CNc1nc([C@H]2CCN(CC(=O)Nc3ccc(OC)cc3)C2)nc2c1CN(C(C)=O)CC2 257304278 SKWCNLWFMBEOOF-INIZCTEOSA-N 438.532 1.860 0 40 IDAB CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccc(OCCN(C)C)c3)C2)ncn1 257328131 XEHPRCPAJALFBE-HSZRJFAPSA-N 442.564 1.562 0 40 IDAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(C(=O)N3CCCC3)CC2)C1 306138778 SHGCDEZZZUQHOQ-UHFFFAOYSA-N 425.493 1.929 0 40 IDAB CN(C)c1nc(CNS(=O)(=O)c2ccc(Br)s2)nc(N2CCCC2)n1 575605241 HYPNUDABIFBBKK-UHFFFAOYSA-N 447.384 1.840 0 40 IDAB O=C1CO[C@H]2CN(CC3(O)CCN(c4ccc(F)cc4)CC3)C[C@@H]2N1C1CCOCC1 585282961 KNXNYMUKOAYIIA-SFTDATJTSA-N 433.524 1.248 0 40 IDAB COCCNC(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(C)=O)CC2=O 958317727 IGJFAKOBPKXGGK-PMACEKPBSA-N 443.544 1.601 0 40 IDAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)Nc1ccccc1OC)CC2 1772595454 YNWKACJVBDBIPA-GOSISDBHSA-N 431.537 1.124 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(c5cc(C(F)(F)F)ncn5)C[C@@H]4C3)ncnc21 1888913589 RNNFSOJRQNNJIL-CHWSQXEVSA-N 434.426 1.854 0 40 IDAB Cn1c(NC(=O)CN2[C@H](c3ccccc3)C[C@]3(C)NCCCCC[C@H]23)cc(=O)n(C)c1=O 2037843357 BXESNTPCRTZUQI-JXQFQVJHSA-N 439.560 1.760 0 40 IDAB Cc1cccc(OC[C@@H](O)Cn2c(NCCCOC(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 2202013 CBUKOAZGSAQYSF-INIZCTEOSA-N 445.520 1.399 0 40 IDAB CC[C@H](C)N(C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 9634663 BKQNPAHAWGUXCE-ZFWWWQNUSA-N 431.532 1.061 0 40 IDAB COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)NC1CC1 9834590 VWAQIBXPRCUPRN-UHFFFAOYSA-N 433.486 1.327 0 40 IDAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)N2CCC(C(N)=O)CC2)CSC3)cc1 10220896 SBPDWXHNKJHDTI-UHFFFAOYSA-N 429.502 1.290 0 40 IDAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)[C@H]1CC(=O)N(c2ccccc2)C1 10251851 ZTLUZXFMEUPFOW-AWEZNQCLSA-N 432.415 1.845 0 40 IDAB COC(=O)C1CCN(C(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)CC1 10542131 PDVFNVPHQZXYEF-GFCCVEGCSA-N 432.926 1.915 0 40 IDAB COc1cc(OC)c(OC)cc1/C=C/C(=O)OCC(=O)N1CCN(c2ncccn2)CC1 10781699 MROXNXZMVZGPEE-AATRIKPKSA-N 442.472 1.408 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2c(OC)cc(OC)cc2oc1=O)C(=O)O 11865642 MTODOOJHFQCJAT-PRWKNARSSA-N 448.472 1.393 0 40 IDAB biogenic COc1ccccc1N1CCN([C@@H]2[C@@H](O)[C@H](NCc3ccc(F)cc3)[C@H]3CO[C@@H]2O3)CC1 12483897 YUXYZBPSJZLZGT-ZSXJVMONSA-N 443.519 1.599 0 40 IDAB biogenic,in-vitro O=C1OCC[C@@H]1Sc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1 12523609 JSVVLPNPWVJNKP-SFHVURJKSA-N 433.555 1.996 0 40 IDAB O=C1CC[C@@H](C(=O)Nc2nc(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)cs2)N1 12634610 QUELLSUCIUNZIV-INIZCTEOSA-N 447.948 1.905 0 40 IDAB CC[C@H](C)N(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 13041147 NWJBEJSMUSMDSQ-PDSXEYIOSA-N 449.529 1.030 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C(N)=O)cc3)CC2)c(C)c1 13069527 YRIKODIGVQPYSK-UHFFFAOYSA-N 430.530 1.347 0 40 IDAB O=C(O)C1CCN(C(=O)C[C@@H](CNC(=O)[C@@H]2CSCN2)c2ccc(Cl)cc2)CC1 13548277 PMUXJHUDFWPUDB-RDJZCZTQSA-N 439.965 1.916 0 40 IDAB CCN1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3 13624956 JBGHLRFROAFSFN-GJZGRUSLSA-N 442.516 1.469 0 40 IDAB COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C 14067099 ZPMNAXXVSPZAGJ-BPUTZDHNSA-N 444.937 1.245 0 40 IDAB COCCNC(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 14236267 JKUSJXGXHIYEFA-UHFFFAOYSA-N 425.894 1.633 0 40 IDAB COc1ccccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14607224 JHLVIABRZYLXLR-FQEVSTJZSA-N 436.512 1.375 0 40 IDAB Cc1cc2nc(C[C@@H](NS(=O)(=O)c3cn(C)cn3)c3ccc(F)cc3)cc(O)n2n1 19129924 DAVOYRXKJRFFNP-MRXNPFEDSA-N 430.465 1.878 0 40 IDAB O=S1(=O)C[C@H](N2CCC3(CC2)OCCO3)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 19797269 KAHWVLRAKXAAQC-HOTGVXAUSA-N 435.951 1.118 0 40 IDAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 19909002 FJCATROPVYSDER-LJQANCHMSA-N 433.530 1.391 0 40 IDAB O=C(CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)N1CCN(c2ncccn2)CC1 32909369 ITIIYWBGCKLKIR-OAQYLSRUSA-N 434.544 1.175 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccc(SC)cc2)c(=O)n1CC(=O)NCC(C)C 33527959 QFKOETSTRWOLEJ-VAAIZWELSA-N 434.583 1.576 0 40 IDAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 40062191 LMEDPHOTRVDDIF-KRWDZBQOSA-N 425.551 1.663 0 40 IDAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccc(F)c(F)c1 67285957 ZFBVVBZKOFRBAK-SFHVURJKSA-N 437.443 1.975 0 40 IDAB O=C(NCC(F)(F)F)c1nnn(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)n1 71005549 UNOCTOQAXPFHDA-UHFFFAOYSA-N 444.370 1.894 0 40 IDAB Cn1ccc(NC(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)n1 72306913 WRXXGQYYBTTYSH-UHFFFAOYSA-N 447.286 1.595 0 40 IDAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 79216467 NIVGLXXJIRMIAK-HOTGVXAUSA-N 443.500 1.729 0 40 IDAB CCCC[C@@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)N1CCCS1(=O)=O 89950174 ZOMOMWMEQUKBAK-OALUTQOASA-N 442.626 1.126 0 40 IDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN(Cc2ccc(C(=O)NC)cc2)Cc2ccco2)C1=O 96743032 OWSLMFITVQPAQH-JOCHJYFZSA-N 441.488 1.393 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]12 100340454 PNMGKNIZLDIVSS-YAKVFXAGSA-N 427.409 1.545 0 40 IDAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 223184476 NYPBFZDZNCNUOG-IBGZPJMESA-N 435.521 1.403 0 40 IDAB O=c1[nH]c2ccc(F)cc2c(=O)n1C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 225763118 ILFPFMCAPZADSM-UHFFFAOYSA-N 445.472 1.790 0 40 IDAB CCOC(=O)c1ccsc1NC(=S)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 252444406 SZYRWGVYDJFURP-DUBDDPSESA-N 433.511 1.545 0 40 IDAB Cc1nn(C)cc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257251808 JSIFDYRSFDBPAP-LSQMVHIFSA-N 439.604 1.947 0 40 IDAB O=C(COc1ccc(CNC[C@@]2(O)CCN(c3ccccn3)C2)cc1)N1CCOCC1 257290908 QETZXEZOVWHAJD-QHCPKHFHSA-N 426.517 1.050 0 40 IDAB CS(=O)(=O)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(C(=O)c1ccccc1)CC3 306123798 AXBCDZJAEWUPBS-UHFFFAOYSA-N 442.541 1.040 0 40 IDAB Cn1ccc(C(=O)N2CCC3(CC2)COCc2nnc(C(=O)NC4CCCCC4)n2C3)n1 306137030 QJKJQGGWUYSKHL-UHFFFAOYSA-N 441.536 1.527 0 40 IDAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCCN1CCOCC1 408708492 ITAYLLFQHDJRBX-UHFFFAOYSA-N 438.528 1.702 0 40 IDAB Cn1c(=O)n(C)c2cc(NC(=O)Nc3cccc4c3CCN(S(C)(=O)=O)C4)ccc21 502490500 DPXJKHTZGUDSHJ-UHFFFAOYSA-N 429.502 1.839 0 40 IDAB O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(C(F)(F)F)nc1 575605581 BZZGJPHWUHWYRT-UHFFFAOYSA-N 437.426 1.652 0 40 IDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)C1 607754349 DOGJWJUGPXLNJA-GASCZTMLSA-N 435.550 1.079 0 40 IDAB Cc1oncc1S(=O)(=O)N1CCN2CC(=O)Nc3cc(C(C)C)ccc3OC[C@@H]2C1 1772594447 ASSLKHVYFXBCRY-INIZCTEOSA-N 434.518 1.812 0 40 IDAB COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 3557228 REXUDRBLJOFTQY-UHFFFAOYSA-N 432.498 1.542 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OC 7402971 CEGPBAXRSWZXAA-OIPACUDHSA-N 426.535 1.802 0 40 IDAB CCCCN(C(=O)COC(=O)[C@]1(C)CC1(Cl)Cl)c1c(N)n(CCC)c(=O)[nH]c1=O 8718315 LMXSEPGZZLDEAP-KRWDZBQOSA-N 449.335 1.789 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1)OCO2 9126490 BVMKVFWQNDYXMR-UHFFFAOYSA-N 437.499 1.994 0 40 IDAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2NC(=O)c2ccncc2)cc1 9970016 KUYMNIDHISUDHU-KRWDZBQOSA-N 441.513 1.972 0 40 IDAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc2ccccc2[nH]1 11226799 FGSRQJINSVXMFN-UHFFFAOYSA-N 427.482 1.858 0 40 IDAB Cc1nc(O)c2nnn(C3CCN(C(=O)Cn4c(=O)cc(C)c5ccccc54)CC3)c2n1 12133624 DJWLSKVPGNJTLY-UHFFFAOYSA-N 433.472 1.722 0 40 IDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 12568740 HXBPVAYWEYHAIO-XMSQKQJNSA-N 447.557 1.720 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 12881059 NEOTVJJHJSMXEO-UHFFFAOYSA-N 439.515 1.673 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1C(N)=O 12926235 BMYRDOPNYPHEKB-UHFFFAOYSA-N 445.328 1.578 0 40 IDAB COc1ccc2c(COC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)cc(=O)oc2c1 12972657 VBQKKFYNYKOSKN-ZDUSSCGKSA-N 448.453 1.010 0 40 IDAB CCCCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 13061591 DCFQPKCJTJIHBN-BTYIYWSLSA-N 449.529 1.032 0 40 IDAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 13101415 WCONIVAKCOLFJR-GOSISDBHSA-N 446.525 1.888 0 40 IDAB CCCOc1ccc([C@@]2(C)C(=O)N(CN3CCOCC3)C(=O)[C@H]2CN2CCOCC2)cc1 13511201 ATLKMLJYBCDKDF-ZJSXRUAMSA-N 445.560 1.340 0 40 IDAB CCNC(=O)CNC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 14249024 OZPAUIGELKRTKK-UHFFFAOYSA-N 446.460 1.746 0 40 IDAB COc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1 15935819 XNEHAXPAIMEKSG-SSEXGKCCSA-N 428.474 1.305 0 40 IDAB CNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 17165134 QNOMUTMJHLXJSE-NSHDSACASA-N 440.294 1.689 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c2=O)C1 19520466 JBLWYESVFQMGCF-GOSISDBHSA-N 448.520 1.984 0 40 IDAB Cc1ccccc1-c1noc(COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 23042880 PRKLDSPRNXGLLD-CYBMUJFWSA-N 432.458 1.254 0 40 IDAB CNC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(CCc3ccc(OC)cc3)C2=O)c1 24146052 LMDBKKQRAJBXDA-QHCPKHFHSA-N 438.484 1.937 0 40 IDAB CCn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2c(C)nn(C)c2c1=O 28556842 WITJKDGBDLIDOD-UHFFFAOYSA-N 434.497 1.108 0 40 IDAB COc1ccc(C)cc1NC(=O)CNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 32754011 ROFVIXJCFMCPMV-UHFFFAOYSA-N 430.486 1.187 0 40 IDAB CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)o1 36352969 CNFOGYQDMKUZBJ-UHFFFAOYSA-N 435.502 1.446 0 40 IDAB C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2F)C[C@@H](C)O1 40152621 QZOFNGQBTSZMJX-CHWSQXEVSA-N 443.522 1.888 0 40 IDAB Cc1cc(NC(=O)CCC(=O)N2CCc3sccc3C2)n([C@@H]2CCS(=O)(=O)C2)n1 40156700 BWGACEZHYVLQCI-OAHLLOKOSA-N 436.559 1.916 0 40 IDAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cc1 70641131 ROSWEQXCQWAKKO-UHFFFAOYSA-N 441.517 1.522 0 40 IDAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NC[C@@H]1Cc2ccccc2O1 72326222 YYMICIGBWHDUSV-QMHKHESXSA-N 435.484 1.066 0 40 IDAB Cn1nc(C2CCN(CC(=O)Nc3ccc(C(N)=O)cc3)CC2)n(-c2ccccc2)c1=O 77100641 KDZJRIRPKZZJRM-UHFFFAOYSA-N 434.500 1.488 0 40 IDAB Cc1nn(-c2ccc(C(=O)NC3CCN(S(C)(=O)=O)CC3)cc2)c(C)c1CCC(=O)O 95389802 IZUZFWYFYGJWKJ-UHFFFAOYSA-N 448.545 1.660 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 222375524 LTCVYNITSFKSAG-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)s1 223236335 BFQBJUGBIWHIDO-LLVKDONJSA-N 444.560 1.905 0 40 IDAB Cc1c(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c(=O)n(-c2ccccc2)n1C 224246427 UGKYCLAIAUTVRZ-UHFFFAOYSA-N 444.513 1.898 0 40 IDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)N1CCC(n2c(=O)oc3ccccc32)CC1 247948181 RSLIZHXGUAWWAG-MATJIDPFSA-N 447.491 1.811 0 40 IDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)N1CCC(n2c(=O)oc3ccccc32)CC1 247948183 RSLIZHXGUAWWAG-RVKBEAOISA-N 447.491 1.811 0 40 IDAB CNc1nc([C@H]2CCN(S(=O)(=O)c3ccccc3OC)C2)nc2c1CN(C(C)=O)CC2 257204122 ATDDDPMSHKDTAG-HNNXBMFYSA-N 445.545 1.610 0 40 IDAB Cc1ccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccc(F)cc2)cc1 408625423 UWYVVPASJHMSPE-UHFFFAOYSA-N 435.521 1.778 0 40 IDAB O=S1(=O)C[C@@H](Nc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](O)C1 575426571 VVGGNRYYFNIIEA-SJORKVTESA-N 433.511 1.605 0 40 IDAB Cc1c(CCNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c2ccccc2n1C 585292237 ZAHXSDXJVFIXHF-PKTZIBPZSA-N 443.569 1.415 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5c(C)nn(CC)c5C)C[C@H]4C3)nn12 2087065713 NNEHEGWIBHCFLA-IYBDPMFKSA-N 444.565 1.277 0 40 IDAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCN1CCCCC1)c1ccc(C)cc12 2196530 JUYHHLVKNBGYFL-OAQYLSRUSA-N 429.546 1.983 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1 3348354 MBFNGCXCVRIWMO-UHFFFAOYSA-N 429.498 1.650 0 40 IDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCc1cc(=O)n3cc(Br)ccc3n1)CS2 3397422 SXZQAKATRVHUGV-SJKOYZFVSA-N 438.303 1.954 0 40 IDAB COC(=O)[C@](NC(C)=O)(Nc1nc2ccc(S(C)(=O)=O)cc2s1)C(F)(F)F 8974583 HWCLMJPDYGVVLV-ZDUSSCGKSA-N 425.410 1.679 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](CO)c3ccccc3)C2)cc1 9047591 HJFXDHFPFRTTOK-GHTZIAJQSA-N 445.541 1.896 0 40 IDAB CCCN(C(=O)[C@H](C)NC(=O)c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9390494 NCESBXWVZINXOH-AWEZNQCLSA-N 439.472 1.322 0 40 IDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 9484878 XSDCNZYNDHOGGL-XLIONFOSSA-N 437.500 1.204 0 40 IDAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cc1 9716277 NQESYSOPLNPRAB-UHFFFAOYSA-N 447.469 1.839 0 40 IDAB Cc1ccc(CNC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]32)cc1 9748116 QQURJDVPKTUYQZ-PMACEKPBSA-N 435.440 1.376 0 40 IDAB CN(C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O)[C@H]1CCS(=O)(=O)C1 9794955 VJANDOXKNSOQCY-BTYIYWSLSA-N 429.498 1.252 0 40 IDAB CN(C)CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 10111613 BEGMGZANCIXEFR-UHFFFAOYSA-N 437.493 1.470 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)NCC3(c4ccccc4)CC3)CC2)cc1C(N)=O 11750681 KPZSYCFELGOJSA-UHFFFAOYSA-N 444.557 1.373 0 40 IDAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 12030692 ZXWVJVBJWBNTRE-GOSISDBHSA-N 436.511 1.858 0 40 IDAB Cc1nc(C)n([C@@H](C)CC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 12089432 KGGRBWSSDVLMEL-RNODOKPDSA-N 432.550 1.815 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H](c2cnn(C)c2C)NS(=O)(=O)N1C 12130985 SAZVZMCCJHAYQI-DZGCQCFKSA-N 427.914 1.609 0 40 IDAB CCOC(=O)C1=C(COC(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)NC(=O)NC1 12999793 RLAITHZSMBNZSV-UHFFFAOYSA-N 429.473 1.240 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc3c(c2)OCCO3)cc1 13108326 YZZCLMIEMWGISZ-UHFFFAOYSA-N 447.513 1.444 0 40 IDAB O=C(CN(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCC1)NC[C@H]1CCCO1 13503055 SMZMQFIHKXMNFK-QGZVFWFLSA-N 441.525 1.170 0 40 IDAB CCn1nnc2c(N3CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)CC3)ncnc21 13533537 FATKUCQYZZQQOK-QGZVFWFLSA-N 448.531 1.560 0 40 IDAB Cn1ncc2c(N3CCN(CC(=O)Nc4ccc5c(c4)OC(F)(F)O5)CC3)ncnc21 14813309 BMNORUWPJVSQTD-UHFFFAOYSA-N 431.403 1.446 0 40 IDAB Cc1sc2ncn(CC3(O)CCN(C(=O)[C@@H](C)CN4CCOCC4)CC3)c(=O)c2c1C 19561289 JQMKILZNOJWZPL-HNNXBMFYSA-N 448.589 1.397 0 40 IDAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H](CO)[C@@]2(CCc3ccccc3C(=O)N2)C1 19577920 PRJFVTHTSPMQQT-IFXJQAMLSA-N 438.937 1.110 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C[C@H]3C=CCC3)CC1)C2=O 19699383 GMLVTTGMNTVZPV-KRWDZBQOSA-N 430.549 1.903 0 40 IDAB Cc1nc([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)nc2c1CCC(=O)N2CC1CC1 19741328 ORYPINOHCJSHPS-LJQANCHMSA-N 441.576 1.903 0 40 IDAB CCOc1cc2c(cc1NC(=O)CN1CCN(CC(=O)N3CCCCC3)CC1)O[C@@H](C)C2 22849488 JHUJIYCHPVGLOA-SFHVURJKSA-N 444.576 1.977 0 40 IDAB O=S(=O)(NCCCOC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 24345726 QTQFZYQBCDDLMS-MRXNPFEDSA-N 432.564 1.335 0 40 IDAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCc1ccc(CN2CCOCC2)cc1 24572545 FHCNATDTHJVBMO-UHFFFAOYSA-N 436.556 1.593 0 40 IDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCNC3=O)CC2)c(C)c1C 24835961 AOQXFQQZJXBXKB-GOSISDBHSA-N 436.578 1.475 0 40 IDAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 25209034 KKCMZHPOUKRKSZ-UHFFFAOYSA-N 444.561 1.383 0 40 IDAB C[C@@H](NC(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(S(N)(=O)=O)cc1 32863014 ZZAWJUNQUXHBSS-OAHLLOKOSA-N 430.530 1.999 0 40 IDAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 35334230 PCDLHMGZSKYJNN-UHFFFAOYSA-N 442.516 1.487 0 40 IDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O 71328882 OVCSWYCEZMJJCY-HXUWFJFHSA-N 439.443 1.959 0 40 IDAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cnccn4)CC3)n2)CC1 72335955 NWELSNFSGWBVJL-UHFFFAOYSA-N 444.561 1.926 0 40 IDAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)C(=O)N1CCOCC1 78720273 PGEYOTBLLNSEEH-GFCCVEGCSA-N 439.515 1.232 0 40 IDAB CCOC(=O)c1csc(NC(=O)[C@@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)n1 96105286 CVAZBORMVASMCQ-GFCCVEGCSA-N 428.478 1.546 0 40 IDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C(OC(C)=O)OC(C)=O)O2)c1 101361130 UFHDQKZEMIEXQO-MPWIWIEXSA-N 443.408 1.129 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 105346766 OJBPQRSSQGMMPR-SUCPGFJNSA-N 437.471 1.744 0 40 IDAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc4ccccc4n3)C2)cc1 239579023 DDTPZCRFTJPQOY-KRWDZBQOSA-N 427.482 1.941 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)NCCN3c4ccccc4N(C)S3(=O)=O)CC2=O)cc1 245015193 LQDAYUDRGQNBDB-HNNXBMFYSA-N 444.513 1.366 0 40 IDAB C[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 253375253 PANPVAPPWJRXQF-QZTZHPFYSA-N 439.560 1.636 0 40 IDAB CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)s1 390831568 SOIVOPABUDMNSB-LBPRGKRZSA-N 435.574 1.714 0 40 IDAB CN1c2ccccc2N(C2CCN(S(=O)(=O)CCC(F)(F)F)CC2)S1(=O)=O 390832171 XTVRIPXNEBLYEY-UHFFFAOYSA-N 427.470 1.934 0 40 IDAB CC(C)CC(=O)N1CCCN(C(=O)Cn2nc(O)ccc2=O)CCNCc2ccccc21 643557591 QTASUQLINWTQSF-UHFFFAOYSA-N 441.532 1.350 0 40 IDAB CC(=O)Nc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(C)=O)C2)c1 1541019603 OSLBTSNMPDBXMJ-RTBURBONSA-N 439.520 1.341 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5cccc(F)c5)C[C@H]4C3)ncnc21 1888944417 DZINXLWWYZBJPT-GASCZTMLSA-N 446.508 1.369 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCC(C)C)c(C)c1 3017368 ZACILRJEWDXKRW-QGZVFWFLSA-N 425.551 1.237 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)c2ccccc2OCc2ccc(F)cc2)c(=O)n(C)c1=O 3369540 MCSWUSVGICQROH-UHFFFAOYSA-N 441.415 1.424 0 40 IDAB COC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)sc(C(N)=O)c1C 8990983 CWHQECKNTYATOF-UHFFFAOYSA-N 449.485 1.257 0 40 IDAB CC(C)[C@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O 9170890 UVELKMNWTXVIMC-ISWURRPUSA-N 434.493 1.804 0 40 IDAB CC(C)Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCOCC1 9327977 HHFZSNHJOHVXLI-UHFFFAOYSA-N 435.525 1.954 0 40 IDAB Cc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)c(=O)n3C)cc1 9645724 SRASRJKHGMAGHC-UHFFFAOYSA-N 444.513 1.183 0 40 IDAB Cn1c(=O)c2ccccc2n2c(CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)nnc12 9958867 MMSQPOVRKIMHFY-NRFANRHFSA-N 434.481 1.926 0 40 IDAB O=C(O)C1CCN([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 12374523 QHJWNKODQVEOGV-ZDUSSCGKSA-N 428.226 1.720 0 40 IDAB COc1ccccc1-n1c(C)nnc1SCC(=O)N1CCN(CC(=O)NC2CC2)CC1 12555634 GNGQRIAUVUICIG-UHFFFAOYSA-N 444.561 1.099 0 40 IDAB CC(=O)NCCNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2cccs2)CC1 12675710 ZCMWSJGREWUOHC-UHFFFAOYSA-N 435.571 1.723 0 40 IDAB CN(Cc1c(F)cccc1Cl)C(=O)CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 12797460 NYAMDIWPLAXUQQ-CQSZACIVSA-N 445.944 1.016 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 13117687 YHIZXZFFQNIOAL-UHFFFAOYSA-N 432.458 1.607 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)N1CCC[C@@H](C)C1 13228015 DPUVZRPJHLTDTP-GFCCVEGCSA-N 426.452 1.387 0 40 IDAB CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(c3nc(Cl)nc4[nH]cnc34)C2)CC1 13551021 CZYMNBVSLJJWLK-GFCCVEGCSA-N 435.916 1.960 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1C(=O)NC2(CCCC2)C1=O 14165767 IXCVINYJQHZSRH-UHFFFAOYSA-N 437.294 1.677 0 40 IDAB Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccccc2Cl)n1 16839434 FJKBYGDCPALTSQ-CYBMUJFWSA-N 444.879 1.319 0 40 IDAB O=C(NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O)c1cnccn1 16850549 QHMNUEVYLGOHHI-UHFFFAOYSA-N 437.431 1.242 0 40 IDAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)CN(C)C)nc21 19698409 FENYCHQSCNXWLA-UHFFFAOYSA-N 425.533 1.972 0 40 IDAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)cc1 19757789 PODKQPPXLROSQZ-MRXNPFEDSA-N 446.529 1.444 0 40 IDAB CN1CCN(C(=O)CN2CCN([C@@H](C(=O)O)c3c[nH]c4cccc(Cl)c34)CC2)CC1 20744908 FDOGEZZMAWTIRR-HXUWFJFHSA-N 433.940 1.339 0 40 IDAB C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(Cl)c1 22357422 PCSYJHPJXBMLFY-FZMZJTMJSA-N 441.893 1.376 0 40 IDAB COc1ccc(CC(=O)N2CCc3sccc3C2)cc1S(=O)(=O)N1CCOCC1 22596999 MYHPTNWEBJCERA-UHFFFAOYSA-N 436.555 1.905 0 40 IDAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 32882407 HBEWHVLXLDWOIP-JOCHJYFZSA-N 441.553 1.929 0 40 IDAB COc1cc(N2C[C@H](C(=O)N[C@H](C)C(=O)NCc3ccco3)CC2=O)cc(OC)c1OC 58052960 ZHFLAFYRDBLNSG-ZIAGYGMSSA-N 445.472 1.479 0 40 IDAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)n1 71333752 ZFWKZAAOAVFHPD-GOSISDBHSA-N 425.416 1.870 0 40 IDAB C[C@H]1CCCCN1CCCNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326208 SPRUQIZRCGKQRO-SBUREZEXSA-N 442.564 1.326 0 40 IDAB CN(CC(=O)Nc1ccccc1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 83858904 NUEUHNCLEGOXIC-UHFFFAOYSA-N 447.513 1.613 0 40 IDAB CCN1CCN([C@@H](C)CNC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)CC1 95993677 DLADIQLVBAGXPU-XDHUDOTRSA-N 439.560 1.270 0 40 IDAB COc1ccc(OC)c(CN2CCN(C(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)c1 103044194 NTCKDMKOVFGFEX-BGYRXZFFSA-N 441.528 1.689 0 40 IDAB CN(c1ccc(OCC(=O)NCc2ccccc2CN2CCOCC2)cc1)S(C)(=O)=O 223336876 OTHKNWSLYZAZSI-UHFFFAOYSA-N 447.557 1.610 0 40 IDAB O=C(c1[nH]nnc1-c1ccc(F)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 225585955 YEZIAFPQHKHZNL-GOSISDBHSA-N 437.431 1.735 0 40 IDAB O=C(NC1CC1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)[C@@H](C(=O)NC3CCCC3)[C@@]23C=C[C@H]1O3 245227451 NJLJHIDQRZZBGL-YHSXXIMFSA-N 441.553 1.736 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](Nc2cccc(C)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 252394314 GMHYNAOFGRHEHB-AFDCHOCNSA-N 437.445 1.490 0 40 IDAB CN1CCC(Cc2cccc(F)c2)(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)CC1 257220617 DLMJTDXAQBWWMP-HSZRJFAPSA-N 427.524 1.628 0 40 IDAB CS(=O)(=O)N1CCC[C@@]12CCN(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]2O 257238568 HLPRZOZIZZOONJ-RDJZCZTQSA-N 435.468 1.505 0 40 IDAB O=C(CCNC(=O)c1cccnc1)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)c1 257255952 KJNIZGXFWFKAHG-VCOUNFBDSA-N 437.500 1.625 0 40 IDAB CN(Cc1ccccn1)C(=O)[C@@H]1CN(CC2CC2)C[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)O1 306125545 CTSJCSGIHQYAFO-HFMPRLQTSA-N 442.560 1.301 0 40 IDAB Cn1nccc1C(=O)N1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccc(F)cc1)C2=O 306139023 SNLFWPHRZQCCGA-GBXCKJPGSA-N 449.486 1.992 0 40 IDAB Cc1nc(CCNC(=O)[C@@H]2CN(Cc3cccc(OCCO)c3)CC23CCOCC3)no1 585102021 ZHIZAPQGIOMRGH-FQEVSTJZSA-N 444.532 1.337 0 40 IDAB CC(=O)N1CCN(C(=O)C2CCC2)CC=CCOC[C@H](O)[C@H](O)[C@@H](OCCC(C)C)C1 1615161861 QPGNZRBTNOPHID-FKBYEOEOSA-N 440.581 1.203 0 40 IDAB COC(=O)C(=O)[C@@H](C(=O)C(=O)Nc1cccc(C(C)=O)c1)c1nc2ccccc2[nH]c1=O 1630204 OPBBPMAXYCHXOE-MRXNPFEDSA-N 435.392 1.159 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2cccs2)cc1 3016056 QTZXWZVWPZHFGK-QGZVFWFLSA-N 437.543 1.226 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)Nc3cccnc3)C2)cc1 9423109 XKCLYTUTBLHJBY-HNNXBMFYSA-N 432.502 1.246 0 40 IDAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O 9494307 FOSADTXPKMWPJB-LJQANCHMSA-N 431.495 1.676 0 40 IDAB NC(=O)C1CCN(C(=O)Cc2csc(NS(=O)(=O)c3ccc(F)cc3)n2)CC1 9818328 ALHVMGLVUFQGCI-UHFFFAOYSA-N 426.495 1.349 0 40 IDAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cccc(C)c1 9974839 LERJREBRRWXADA-ZPAWYTMASA-N 437.445 1.030 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc(F)cc2)cc1 10284272 XXHIQRRMRHBJTC-UHFFFAOYSA-N 435.477 1.330 0 40 IDAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1=O 10912045 WVAZNVMFYTXZKS-UHFFFAOYSA-N 440.769 1.839 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)CC1 12029552 WMOUORYYFLPHAB-KRWDZBQOSA-N 443.543 1.063 0 40 IDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)c(C)n1C1CC1 14181176 NWLDLPBMWYFAOW-UHFFFAOYSA-N 430.530 1.685 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(Cc5ccncc5)C(=O)[C@H]24)O3)cc1OC 15894290 PXEJCMCVHDBDIB-XBZNOJLSSA-N 449.507 1.740 0 40 IDAB biogenic COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(=O)Nc2ccccc21 22064506 BPHKHUJCVHPOHF-UHFFFAOYSA-N 431.470 1.315 0 40 IDAB CC[C@@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)N1CCCC1 24799819 FUVONXKIEUZFPN-INIZCTEOSA-N 435.594 1.747 0 40 IDAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 25223346 BPYYJUSFUZLVHV-OYLFLEFRSA-N 449.463 1.436 0 40 IDAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(Br)c2)c1=O 32682516 QVFKGYWWSKDSNL-UHFFFAOYSA-N 436.310 1.521 0 40 IDAB O=C(CS(=O)(=O)Cc1nnnn1-c1ccccc1)Nc1ccc2c(c1)OC(F)(F)O2 32796951 VKGMFXQDGXXDPB-UHFFFAOYSA-N 437.384 1.537 0 40 IDAB O=C(NCCN1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 33131315 MGBBGDDQCQPWBI-UHFFFAOYSA-N 429.970 1.967 0 40 IDAB CN(C)S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 37171372 LIZCWDXWZSCLHX-UHFFFAOYSA-N 430.530 1.034 0 40 IDAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc4c(c2)OCO4)CC(=O)N3)C1 40388849 LMHXCPTYPCMWEG-AAEUAGOBSA-N 425.445 1.799 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)C1CCN(C(=O)C(C)(C)C)CC1)n2C 58144479 WCWIQDPBESAOPE-UHFFFAOYSA-N 447.536 1.551 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc(C)c1C 58209329 DOCWJTKZQDXEBV-UHFFFAOYSA-N 447.561 1.227 0 40 IDAB COC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204938 RGSOPUIESTXTAJ-LJQANCHMSA-N 442.447 1.658 0 40 IDAB CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)cc1 90610291 HTPYKALRYBDPMD-UHFFFAOYSA-N 448.589 1.590 0 40 IDAB COC(=O)[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 95955468 BEWKYIQKJBZQTF-ZDUSSCGKSA-N 439.317 1.044 0 40 IDAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(I)c1 97379367 RAVAWLUJURWVGF-VHSXEESVSA-N 428.317 1.943 0 40 IDAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3scnc3C)c(=O)n12 105544423 MNXRRSLVJJCJBN-CSIIPDGZSA-N 427.507 1.624 0 40 IDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)N1CCOCC1 219663957 DABDTXJHISMYIE-UHFFFAOYSA-N 443.481 1.332 0 40 IDAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222897839 QMIZCRILMFDGLN-OAHLLOKOSA-N 429.498 1.037 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3ncn[nH]3)C2)cc1 226083842 XNAOCBCVZIEFDH-CYBMUJFWSA-N 425.536 1.123 0 40 IDAB CN1c2ccccc2N(CCNS(=O)(=O)c2ccc(-n3cccn3)cc2)S1(=O)=O 253472121 JQMGRTDOIGGHPZ-UHFFFAOYSA-N 433.515 1.352 0 40 IDAB Cc1cc2nc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cc(C)c(O)nc4=O)C3)[nH]c2cc1C 257202297 ALERUQYUFZBIHS-WZONZLPQSA-N 439.516 1.908 0 40 IDAB CN(C)CCOc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cccc4nccn34)C2)cc1 257230415 GCFFXPUDVOTGGO-XMMPIXPASA-N 437.544 1.988 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1 260746319 RDVRGSAGZDKLMO-HNNXBMFYSA-N 449.504 1.902 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408659975 KMFNGUACWIANHG-HZVDNRATSA-N 442.468 1.766 0 40 IDAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(=O)(=O)NCCc1ccccc1 408713547 HOWPDNRPTRVSGR-UHFFFAOYSA-N 445.541 1.554 0 40 IDAB COc1cccc(-c2cc(C(=O)N(C)C3CN(c4ccc5nnc(C)n5n4)C3)n(C)n2)c1 1565519160 FZQUHKIGVMORPO-UHFFFAOYSA-N 432.488 1.803 0 40 IDAB Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCC(COc3ccc4nccn4n3)CC1)CS2 1888906685 NKKGWZFHUBCZKA-MRXNPFEDSA-N 440.529 1.949 0 40 IDAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 813977 XPCJSRIOTQLSNJ-UHFFFAOYSA-N 445.541 1.610 0 40 IDAB CCOC(=O)C1CCN(CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)CC1 4964279 CSNFAPSNAPTMSB-UHFFFAOYSA-N 425.551 1.931 0 40 IDAB CCc1ccc(O[C@@H]2O[C@@H](C(=O)OC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 5049634 DRXDDSAONXSIMP-KWLWEVDOSA-N 438.429 1.321 0 40 IDAB CCCn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c(=O)[nH]c1=O 9124930 RDPNRBXJXFOCMM-UHFFFAOYSA-N 436.468 1.996 0 40 IDAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 9184515 QXBGUBKPPKYLJO-QUCCMNQESA-N 448.566 1.414 0 40 IDAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9284305 VXLNRGYYSAJZCG-UHFFFAOYSA-N 448.472 1.593 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccc(Cl)cc1 9420272 VRQWTZKZHQYQGM-IAGOWNOFSA-N 442.907 1.658 0 40 IDAB O=C(NCc1ccc(F)cc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 10219809 DSFSGHUMVRJJQO-UHFFFAOYSA-N 446.435 1.834 0 40 IDAB CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)CC1 12390543 KGWMVSVPARELAZ-OAHLLOKOSA-N 439.472 1.614 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(Cn3nnn(C(C)(C)C)c3=S)CC2)cc1 12852494 VXCUYIOHOQOXCF-UHFFFAOYSA-N 440.595 1.927 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cn3nc4ccccn4c3=O)CC2)c1C 12932556 VPSQCRZRCLPDRU-UHFFFAOYSA-N 429.546 1.694 0 40 IDAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12990336 BCOBIXNIJUEVDC-UHFFFAOYSA-N 425.938 1.923 0 40 IDAB NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12991301 PZJSTINZGCOZCT-QGZVFWFLSA-N 445.497 1.199 0 40 IDAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 15899640 JKJSAHRVLZNIEH-GASCZTMLSA-N 442.509 1.793 0 40 IDAB O=C(c1cnccn1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699551 WBBSXGXCRFJRMQ-LJQANCHMSA-N 448.527 1.668 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccc(C)s3)C1)C2=O 19699755 XJQPIGPRYRSVEJ-HNNXBMFYSA-N 432.546 1.984 0 40 IDAB Cc1nn(C(C)C)cc1S(=O)(=O)N1CC[C@H](c2nc(C)c3c(n2)N(C)C(=O)CC3)C1 19739013 MDRPSMMXICGLHR-HNNXBMFYSA-N 432.550 1.958 0 40 IDAB Cc1nc(CC(=O)N2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cs1 19759088 GIFCPEFPOCVDFY-HXUWFJFHSA-N 440.525 1.864 0 40 IDAB CN1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4ccnn4C)CCO3)nc3ccccc23)CC1 19759669 KGUWUGPRPIZDCT-JOCHJYFZSA-N 448.527 1.570 0 40 IDAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccccc1C(N)=O)=C2C 20063997 GKLQQTZGXVJTEJ-UHFFFAOYSA-N 431.470 1.952 0 40 IDAB CCCCN(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 24004947 AFEHOZFCNJBTKC-RNODOKPDSA-N 437.566 1.362 0 40 IDAB Cc1nn(CC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c(=O)c2ccccc12 24778460 ZSRNIQWHKCICBK-UHFFFAOYSA-N 430.472 1.029 0 40 IDAB COc1cccc([C@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c2nccn2C)c1 29975718 APMIYYUGUQYLIZ-PMACEKPBSA-N 432.484 1.755 0 40 IDAB COc1ccc(N2C[C@H](C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 32090897 AENFADSETLIRFP-OAHLLOKOSA-N 439.468 1.964 0 40 IDAB CCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)NCc4ccco4)c(=O)c3s2)C1 33141265 NMZBAMDXNYOALO-CYBMUJFWSA-N 444.517 1.115 0 40 IDAB COc1cc(C(C)=O)ccc1OCC(=O)NCCOc1cc(N2CCN(C)CC2)ncn1 35598390 UWYQVMSYCCPEMG-UHFFFAOYSA-N 443.504 1.014 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(NC(=O)COc3ccc(F)cc3F)c2)CCN1 40106954 VLJCJPFUUMXPIM-UHFFFAOYSA-N 425.413 1.103 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2c3c(c(OC)c4c2OCO4)CN(C)CC3)cc1 40310003 TVSHLWNALACLIY-UHFFFAOYSA-N 434.514 1.941 0 40 IDAB biogenic CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)CC1 220233949 FTSBLLIYXRADKR-CQSZACIVSA-N 442.534 1.660 0 40 IDAB C[C@@H](Oc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224479286 MHQMTIOKBYCGGA-QGZVFWFLSA-N 434.514 1.670 0 40 IDAB CN(c1ccc(OCC(=O)NCc2ccccc2CN2CCCC2=O)cc1)S(C)(=O)=O 224885694 NVJGSFULJDJYRB-UHFFFAOYSA-N 445.541 1.900 0 40 IDAB CNc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(OCCN(C)C)cc3)C2)ncn1 257289019 PWQXMBRSQDMWLB-QFIPXVFZSA-N 428.537 1.220 0 40 IDAB CCN(CC(=O)N1C[C@H](C(=O)OC)Oc2ccccc21)S(=O)(=O)c1ccc(F)cc1 260737218 KLIXWUUTCATGLX-GOSISDBHSA-N 436.461 1.804 0 40 IDAB CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCCN(c4ccccc4)C3=O)CC2)CC1 555993964 KVNRWFVVMBYTIN-NRFANRHFSA-N 426.561 1.832 0 40 IDAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(Cc3cccc(F)c3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242243 VCKSVCUUJSTJTI-UFYCRDLUSA-N 445.539 1.213 0 40 IDAB COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2C1 1007360 UUJZKFFQBZJFFF-MLPAPPSSSA-N 439.287 1.296 0 40 IDAB CCN(C(=O)COc1ncnc2ccc(Br)cc12)[C@H]1CCS(=O)(=O)C1 4166765 IHURHSKNNJOPSX-LBPRGKRZSA-N 428.308 1.807 0 40 IDAB CC(=O)NCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 8299035 GGVUMNRVZYUWIY-DSKINZAPSA-N 442.589 1.533 0 40 IDAB biogenic,in-vitro C[C@@H]1CSC(N(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccc(Cl)cc2)=N1 9125594 ZZZMFMLRVHBSCV-LLVKDONJSA-N 446.920 1.612 0 40 IDAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 9908576 NZBRKSAMGIMKSG-VLIAUNLRSA-N 433.486 1.707 0 40 IDAB CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3)[C@@H]1CCS(=O)(=O)C1 11124991 RYYBIUVQKSAPRA-LLVKDONJSA-N 441.600 1.611 0 40 IDAB COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2C 12232093 LRGJHTBZSJSETA-UHFFFAOYSA-N 436.516 1.897 0 40 IDAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)c1C 13163806 LWZLRLBDSOEYGX-OAQYLSRUSA-N 435.444 1.460 0 40 IDAB Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)NCCc1cccs1 13729287 OYULNAQRMICXSV-CYBMUJFWSA-N 428.557 1.890 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(N3CCCC3=O)c2)c1 18092333 NATVELAGSJSKQZ-UHFFFAOYSA-N 446.529 1.644 0 40 IDAB COc1ccccc1CNC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 19570780 QDSAUPSWCIOYSM-DEOSSOPVSA-N 437.496 1.885 0 40 IDAB Cc1nc([C@@H]2CCCN2C(=O)CN2CCNC(=O)C2)ncc1C(=O)Nc1ccc(F)cc1 19755516 HWFNBDJGLVQHHJ-SFHVURJKSA-N 440.479 1.272 0 40 IDAB CS(=O)(=O)NCC(=O)N1CCC[C@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 19767384 JOJLGZGGTKBMPV-HNNXBMFYSA-N 434.493 1.728 0 40 IDAB COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 19819930 VXBIMXBUQUUHHQ-IBGZPJMESA-N 433.530 1.691 0 40 IDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC(=O)N(c2ccccc2)C1 20734707 KCAUDOHWXOPHIW-QZTJIDSGSA-N 434.496 1.325 0 40 IDAB C[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22363522 FPBLZILEXGSROC-ZDUSSCGKSA-N 428.507 1.873 0 40 IDAB Cn1ncc2c(N3CCN(CC(=O)N(Cc4ccco4)CC(F)(F)F)CC3)ncnc21 23662249 WGNMKVCNXRQNCZ-UHFFFAOYSA-N 437.426 1.669 0 40 IDAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CCn1nnc2ccccc2c1=O 24612213 FGCOUCOAZHJIPX-UHFFFAOYSA-N 443.529 1.326 0 40 IDAB O=C(CN1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1)NC1CC1 35325294 UNAXTELENHEIEH-UHFFFAOYSA-N 432.952 1.615 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN(C)CCOC)CC2)cc1 36396708 HACRTRYNJVXZGF-UHFFFAOYSA-N 441.594 1.571 0 40 IDAB Cc1cc(CN2CCN(C(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)CC2)on1 40013541 LRDBPHNHNYTELV-GOSISDBHSA-N 448.545 1.398 0 40 IDAB COc1ccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)cc1OC 44791416 QDKLBMMGABDCDA-UHFFFAOYSA-N 425.532 1.773 0 40 IDAB NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)CCn2nnc3ccccc3c2=O)C1 58434443 GGIINGMMZOZTDC-QGZVFWFLSA-N 434.500 1.518 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326559 IIIQUNQPOFNJMI-QZMQVMSPSA-N 427.549 1.540 0 40 IDAB O=C(NCCc1csc(-n2cccn2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90609471 MNDMBULBFGFQSI-UHFFFAOYSA-N 447.542 1.322 0 40 IDAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96050447 PAWBDBSUONNAFT-FQEVSTJZSA-N 430.896 1.945 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)NCCn3nc(-c4cccnc4)n(C4CC4)c3=O)CC2=O)cc1 206637699 ZKBCERZLFQVDQE-GOSISDBHSA-N 446.511 1.919 0 40 IDAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)NCCN1CCOCC1 219143128 UNZSIMAZAMFQOH-UHFFFAOYSA-N 427.523 1.531 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)ccc1OC 222901587 HSGIXXPBCGFKQL-UHFFFAOYSA-N 438.502 1.901 0 40 IDAB COc1ccc(N(CC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)cc1OC 223660509 KDHSOMSGWDLQRD-UHFFFAOYSA-N 426.466 1.804 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CN3CCCC[C@H]3C)C1)C2=O 248070598 GDJHDJXXQZMCPA-MSOLQXFVSA-N 447.580 1.175 0 40 IDAB Cc1nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c(O)c1CCC(=O)N1CCOCC1 257236613 HCZCOCUEZBGHIJ-GOSISDBHSA-N 427.505 1.608 0 40 IDAB CCn1c(O)nc2cc(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)ccc2c1=O 569341044 XVXPGYAMVCIYMI-HNNXBMFYSA-N 442.497 1.315 0 40 IDAB Cc1nc(N2C[C@H]3CN(C(=O)[C@H]4CC(=O)N(c5ccccc5)C4)C[C@H]3C2)nc(O)c1F 1888890882 PNYYPCPFLXPGSG-HRCADAONSA-N 425.464 1.577 0 40 IDAB Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1 1363929 UNJFPEZIBOOKTR-SFHVURJKSA-N 440.529 1.688 0 40 IDAB CCCc1c(C(=O)OCC)c2cc(NS(C)(=O)=O)c(OC)cc2n1S(C)(=O)=O 6142928 XQQQALBBZIAPHO-UHFFFAOYSA-N 432.520 1.958 0 40 IDAB CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 9212387 PRQROPMIIGLWRP-KSZLIROESA-N 437.562 1.197 0 40 IDAB biogenic CCCn1c(N)c(C(=O)CSc2nnc(Cc3csc(C)n3)o2)c(=O)n(C)c1=O 9254534 XDPADGDKSAJUJR-UHFFFAOYSA-N 436.519 1.253 0 40 IDAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1 9884487 QLKWSLFVWRKVJZ-UHFFFAOYSA-N 440.485 1.652 0 40 IDAB CCOc1ccccc1NC(=O)CSc1nc(CC)nc2c1c(=O)n(C)c(=O)n2C 11758068 WDFQHDDCSAKLAH-UHFFFAOYSA-N 429.502 1.719 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1c(F)cccc1F 12422827 NETZHTHSUAFGDF-UHFFFAOYSA-N 437.512 1.885 0 40 IDAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)N1CCc1ccccc1 12777507 IMSQQRWEFVSMKI-HXUWFJFHSA-N 445.516 1.502 0 40 IDAB O=C1CCCN1Cc1cccc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 12795987 GMPNVOZIGFFLGD-QFIPXVFZSA-N 449.507 1.933 0 40 IDAB CC(C)CCN1C(=O)c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1=O 12806557 KMEFNUNZJIAZIL-UHFFFAOYSA-N 443.525 1.949 0 40 IDAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 16043798 UEABAPWZVPLWFO-CYBMUJFWSA-N 431.942 1.804 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 16695766 MROFOJPCXWGULK-OAHLLOKOSA-N 425.441 1.388 0 40 IDAB O=C1COc2ccc(C(=O)C3CCN(C(=O)CCN4C(=O)CSC4=O)CC3)cc2N1 19345449 KLOMVBOBIVQKGT-UHFFFAOYSA-N 431.470 1.524 0 40 IDAB COCCNC(=O)c1cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)nc2ccccc12 19754378 IXVFCNCNKNJMHG-INIZCTEOSA-N 434.496 1.939 0 40 IDAB O=C(CSc1nnc(NC2CC2)s1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 21642943 LGOHTQAQYOOGSZ-CHWSQXEVSA-N 432.593 1.399 0 40 IDAB CCN(C(=O)COC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 22303306 NSADDBCQOHVURP-IUODEOHRSA-N 445.925 1.018 0 40 IDAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NC[C@H]1COc2ccccc2O1 22774629 HRWZRZVDVCLXGF-SFHVURJKSA-N 425.485 1.489 0 40 IDAB Cc1cccc(N2CCN(C(=O)CSc3nnc(C4CC4)n3CCC(N)=O)CC2)c1 28910839 KLGYUIOFAWQYLB-UHFFFAOYSA-N 428.562 1.780 0 40 IDAB CCS(=O)(=O)N1CCC(NC(=O)Cc2cc(OC)c(OC)cc2Br)CC1 31000917 CBQMAXCQEHZKST-UHFFFAOYSA-N 449.367 1.939 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 32903762 SXAOQYXJOAACEC-HNNXBMFYSA-N 429.564 1.758 0 40 IDAB Cc1nc(COc2ccccc2C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cs1 35349165 OEULCSJPGXOHIS-UHFFFAOYSA-N 444.557 1.647 0 40 IDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 40149885 VBEOOUKZSVCMBD-UHFFFAOYSA-N 443.997 1.888 0 40 IDAB O=C(CN1CCN(c2ccc3nnnn3n2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 57369356 SORLRQAWQUCBKY-UHFFFAOYSA-N 440.817 1.952 0 40 IDAB O=C(NCc1ccnc(Oc2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 57996131 IKRHFEJOFBTPQF-SJORKVTESA-N 429.498 1.526 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(C(=O)NCCOc3ccc(Cl)cc3)CC2)CC1 72272769 IFFZGGIPUWQRIS-UHFFFAOYSA-N 436.940 1.864 0 40 IDAB O=C(Cc1ccc2c(c1)OCO2)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338782 ODBOVNJXGDJASH-NRFANRHFSA-N 429.498 1.927 0 40 IDAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 72377312 SYQZAJXFLWQYAX-LJQANCHMSA-N 435.484 1.958 0 40 IDAB O=C(Nc1cc2ccccc2oc1=O)c1c[nH]c(=O)n(Cc2ccc3c(c2)OCO3)c1=O 96024181 UQCRITOFONLJST-UHFFFAOYSA-N 433.376 1.672 0 40 IDAB CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@]2(CC(=O)N(C)C2)C1 96143408 VXSLFMSANAZAFL-IBGZPJMESA-N 427.954 1.677 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC3(CC2)O[C@H](C(=O)N(C)C)Cn2ccnc23)cc1 96243579 NBFFLLQBQRQGHP-KRWDZBQOSA-N 434.518 1.059 0 40 IDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 101405602 YILUCZSTQJXXCA-CALCHBBNSA-N 446.529 1.661 0 40 IDAB Cn1c(=O)c2c(nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2C)n(C)c1=O 103208010 DISIDYDQLMTSAR-UHFFFAOYSA-N 444.539 1.882 0 40 IDAB CCOC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3cnn(C)c3C)c(=O)n12 105262602 PKAOIWFZDIPOSS-XFHSBGCQSA-N 438.509 1.291 0 40 IDAB Cc1cn([C@H]2CCN(C(=O)c3ccc(OCCN(C)C)cc3)CC[C@@H]2O)c(=O)nc1O 257300335 RTWUDQGSTCZYDF-OALUTQOASA-N 430.505 1.036 0 40 IDAB CCOC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)OC)C1=O 408548560 ISLRWVJNFKZNGJ-KPKJPENVSA-N 441.234 1.457 0 40 IDAB C[C@@H](NC(=O)CCc1ccccc1)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 507457995 SEQCSFPVTMCFBO-MJGOQNOKSA-N 435.532 1.594 0 40 IDAB O=C1CC[C@@H](c2nc(CNS(=O)(=O)c3cccnc3)no2)N1Cc1ccccc1F 1775963809 DTAIXFNJPMZNGP-INIZCTEOSA-N 431.449 1.946 0 40 IDAB biogenic,in-vitro CN(C)C(=O)CN1CCC[C@]2(CC=CCNC(=O)c3ccccc3OCCN(C)C2=O)C1 2037843462 DIWCFGCBYKZPOQ-XMMPIXPASA-N 442.560 1.384 0 40 IDAB Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(=O)n(C)c1=O 3315690 DROFGCYBFZJLBJ-UHFFFAOYSA-N 448.508 1.889 0 40 IDAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)NCc1ccc2c(c1)OCO2 3455205 ZRZLZMUUGGSJKJ-UHFFFAOYSA-N 427.482 1.916 0 40 IDAB CC(C)OCCCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 4284125 HUNLWHQDAYOPJH-DLBZAZTESA-N 425.576 1.841 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC[C@H]3CCCO3)nc(-c3cccs3)nc2n(C)c1=O 6530514 ZVGWDCQEANUGTP-LLVKDONJSA-N 447.542 1.143 0 40 IDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2O)CC1 9220700 YYPBSHLJQROJFG-FQEVSTJZSA-N 442.541 1.804 0 40 IDAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)NC(=O)Nc1ccc2c(c1)OCO2 9413885 UYQRGMRNFHISCD-UHFFFAOYSA-N 430.398 1.116 0 40 IDAB Cn1c(Cc2cccs2)nnc1SCCCn1c(=O)c2c(ncn2C)n(C)c1=O 9467444 JEWVHORMBGENTF-UHFFFAOYSA-N 431.547 1.397 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 9662486 PKUPOHFWSDYWBL-QZEKMECESA-N 431.514 1.691 0 40 IDAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)COc1cccc(C)c1)CC2 10705461 VQUHOPQYHGNSPA-UHFFFAOYSA-N 448.541 1.895 0 40 IDAB COc1ccccc1-c1noc(CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)n1 12921070 DSTLNCMFYGHDLX-NRFANRHFSA-N 446.427 1.688 0 40 IDAB CCOC(=O)[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)NC(=S)N[C@@]1(O)C(F)(F)F 13482805 OENWNEXPHLZYGC-WQGACYEGSA-N 438.424 1.661 0 40 IDAB COCCN1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)c3cccc(F)c3)n2)CC1=O 19700979 WYYKCQLSTARFFA-MRXNPFEDSA-N 429.496 1.916 0 40 IDAB CNC(=O)c1cn(C)nc1CC1CCN(C(=O)[C@H](c2ccccc2)N2CCOCC2)CC1 19756367 OCTRTKLSLMGYBC-QFIPXVFZSA-N 439.560 1.634 0 40 IDAB CCc1nc2ccccc2n1CC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 22379085 QMADRDDBNNOLAG-UHFFFAOYSA-N 441.488 1.123 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc(CN3CCOCC3)cs2)cc1C 23188581 XVMCJMGHHYIUFO-UHFFFAOYSA-N 438.575 1.851 0 40 IDAB O=S(=O)(c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)nc1)N1CCOCC1 23295905 AQADBJJTASDRIG-QPJJXVBHSA-N 428.558 1.938 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1 23818073 FAKKZYZJFLIUCC-QHCPKHFHSA-N 438.484 1.908 0 40 IDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 24749650 NANKTFVJHAGVIM-HOTGVXAUSA-N 431.580 1.020 0 40 IDAB NC(=O)N[C@H](Cc1ccccc1)C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 24976667 WOAHMWFSYQKJTE-OAHLLOKOSA-N 426.498 1.958 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(OC)c(Br)cc2OC)CC1 27823606 ARUDRVXRFVNDDQ-UHFFFAOYSA-N 437.312 1.929 0 40 IDAB O=C(C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccccc2)CC1 36585689 WMXNAEYGTNHXSK-GOSISDBHSA-N 436.468 1.779 0 40 IDAB COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3cn(C(F)F)nc3C)CC2)cc1 36615181 VFAKFEGPRDYLAB-UHFFFAOYSA-N 428.461 1.880 0 40 IDAB CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 67285907 BUSTUKBUQGYUCX-HXUWFJFHSA-N 432.521 1.512 0 40 IDAB CNC(=O)COc1cccc(CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)c1 69350680 LTMCJMCALRJSTD-UHFFFAOYSA-N 439.921 1.738 0 40 IDAB CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C)C1 71889495 OOCMOZYJQZNEAV-HUUCEWRRSA-N 426.521 1.913 0 40 IDAB Cc1cccnc1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 72404700 KGGRQEWRUHWEQF-UHFFFAOYSA-N 434.493 1.781 0 40 IDAB Cc1cnc2n(c1=O)C[C@H](C(=O)Nc1nc3ccc(S(C)(=O)=O)cc3s1)CS2 90609578 BSPFGOFQAQOPEQ-JTQLQIEISA-N 436.540 1.926 0 40 IDAB CC[C@@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1C(C)=O)[C@@H]32 98181785 PRAVTXPSWIMKTH-KXSDHGPUSA-N 440.540 1.915 0 40 IDAB CCOCCCN1C[C@H](C(=O)N2[C@@H]3CC[C@@H]2Cn2c(nc4ccccc4c2=O)C3)CC1=O 100119473 PZSBIVAHCRRGMO-KZNAEPCWSA-N 438.528 1.587 0 40 IDAB COc1ccc(OC[C@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1 102916066 OWHMZYVPIVCPRD-LSDHHAIUSA-N 443.504 1.108 0 40 IDAB C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 104207832 UHEIRMRCKHGZAA-SDADXPQNSA-N 428.441 1.668 0 40 IDAB S=C(NCCN1CCOCC1)Nc1ncc(Br)nc1Br 223892912 LVODGHDYVZTYMF-UHFFFAOYSA-N 425.150 1.620 0 40 IDAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3c[nH]c4ccccc34)C2)C(=O)N1Cc1ccccc1F 225390495 OEUSOAYJADGIMP-GCJKJVERSA-N 448.498 1.866 0 40 IDAB biogenic,in-vitro Cc1ccccc1-c1noc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 225565502 OTKBUOQQBAZNAM-UHFFFAOYSA-N 442.497 1.996 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1C 253398204 GSLVDVBYHFEWEO-UHFFFAOYSA-N 438.984 1.529 0 40 IDAB Cc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C(=O)NCC(C)C 408581846 ASHRXGDAGKUCNT-UHFFFAOYSA-N 425.532 1.829 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408658610 LICGRMZSHANAME-WTPVCQSKSA-N 427.457 1.546 0 40 IDAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(C1CCC1)C2 514287668 XBWHGJGOLIQYCD-VGRNTABGSA-N 443.544 1.219 0 40 IDAB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 575422707 VXSLZHJNPODFBD-NXEZZACHSA-N 430.766 1.625 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(Cc1cnn(C)c1)C2 1549166604 GQXJPLRCBZGXMI-NRFANRHFSA-N 437.544 1.481 0 40 IDAB Cn1cc(-c2cnc(OC3CCN(C(=O)Cn4cnc5ccccc5c4=O)CC3)nc2)cn1 1889270346 IVWOANUPXJIONU-UHFFFAOYSA-N 445.483 1.657 0 40 IDAB COc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3ccc(C(C)=O)cc3)cc2c1 918316 FOEDCUDCNVCDLM-UHFFFAOYSA-N 430.482 1.923 0 40 IDAB CCN(CC)CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C 4217251 AFKRZUUZFWTBCC-WSTZPKSXSA-N 433.574 1.661 0 40 IDAB biogenic,in-man CC(C)n1c(=O)n(CC(=O)NC[C@H]2CCCO2)c(=O)c2c3c(sc21)COC(C)(C)C3 9435265 UPLITUUXYVLJNK-CYBMUJFWSA-N 435.546 1.952 0 40 IDAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 9597058 GJFSDEGOSBRYDC-UHFFFAOYSA-N 432.498 1.489 0 40 IDAB Cn1c(=O)n(CC(N)=O)c(=O)c2c1nc1n(-c3ccc(Cl)cc3)c(-c3ccccc3)cn21 9713376 QQKKJXRBJPKVFP-UHFFFAOYSA-N 448.870 1.944 0 40 IDAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(CCOCCO)c(C)c(C)n34)n(C)c2=O)c1 10233640 WFZRNMMSEZGBER-UHFFFAOYSA-N 439.516 1.440 0 40 IDAB O=C(NCCc1ccc(F)cc1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030288 MQNVFYLXXSSZSR-GOSISDBHSA-N 425.503 1.759 0 40 IDAB C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12506152 YELTVLNKVFSGPH-LBPRGKRZSA-N 432.433 1.843 0 40 IDAB COc1ccc(N2C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3CO)CC2=O)cc1 12881852 GTDKPPDIHTZNQJ-KPFFTGBYSA-N 431.533 1.562 0 40 IDAB biogenic O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12914445 AAQMVINXAAVXBH-IBGZPJMESA-N 447.488 1.839 0 40 IDAB Cc1ccc(N2C(=O)N(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)C(=O)[C@H]2C)cc1 13039852 KVOQRCWKJAZYGO-AEFFLSMTSA-N 435.546 1.824 0 40 IDAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 13163424 QYVQCBUUDBJOCV-GFCCVEGCSA-N 438.531 1.294 0 40 IDAB CN1N=C(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CCC1=O 14252820 XSKXWGFIFOLZTC-UHFFFAOYSA-N 433.317 1.435 0 40 IDAB CCCN1CCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2cc(Cl)ccc2N3)CC1 19503392 QFNGGBNTISENMQ-JOCHJYFZSA-N 447.967 1.758 0 40 IDAB Cn1cc(C(=O)N2CCO[C@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)cn1 19703099 TYXIVZSWXCVBFO-INIZCTEOSA-N 441.513 1.716 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 20914141 GUYGTQSHMZYRSH-MRXNPFEDSA-N 436.559 1.931 0 40 IDAB CCN(Cc1cc(=O)n2cccc(C)c2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 21383938 YUQSHGDVJAJNOL-UHFFFAOYSA-N 432.484 1.510 0 40 IDAB Cc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 22229533 WFPUUMVTACKSLA-UHFFFAOYSA-N 431.514 1.313 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nc3nc(C)cc(C)n3n2)C1=O 32745144 LFMMCDYPHGCLOX-HXUWFJFHSA-N 439.501 1.722 0 40 IDAB C[C@H](OC(=O)[C@H]1COc2ccccc2C1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 32823880 FQNXNTIUYWUZON-WMLDXEAASA-N 432.498 1.176 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 32871810 AQSZFKSACQNCIX-HNNXBMFYSA-N 431.478 1.274 0 40 IDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 32895088 YIFZDVLWLLPULT-UHFFFAOYSA-N 437.503 1.834 0 40 IDAB Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 69596026 ONJOLLPGLQJAAY-OKILXGFUSA-N 433.534 1.143 0 40 IDAB O=C(c1cc(-c2ccc(F)cc2F)n[nH]1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124285 FAKVJOSSFRSUSO-UHFFFAOYSA-N 437.414 1.688 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCSc2ncn[nH]2)CC1 222620312 SUCVAKKGANTJPS-UHFFFAOYSA-N 443.526 1.262 0 40 IDAB COC(=O)c1cc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc(C(=O)OC)c1 225083784 RIVSEQMPOFWTQN-UHFFFAOYSA-N 446.437 1.714 0 40 IDAB NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(I)cc2)c1 226855370 KSLFVQRIHLTHOA-UHFFFAOYSA-N 438.268 1.739 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)C3[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)nc2C1 247511750 INKFFTWCIDANCQ-WIHIRCLASA-N 446.573 1.846 0 40 IDAB C[C@@H]1Oc2ccc(S(=O)(=O)N3[C@H]4CC[C@H]3CC(O)(c3nccn3C)C4)cc2NC1=O 248124756 LENMJEIWKDPFLT-IHRRRGAJSA-N 432.502 1.343 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3csc(-c4ccccc4)n3)[C@H]2O)CC1 257208463 BMGHOFMFAFKZRB-MISYRCLQSA-N 428.558 1.986 0 40 IDAB O=C1CCCN1CCOc1cccc(C(=O)N2C[C@H](O)[C@H](Cc3cn4ccnc4cn3)C2)c1 257262878 LNJSOPUFHFTOHA-NQIIRXRSSA-N 449.511 1.406 0 40 IDAB COc1ccc(N2C(=O)N[C@@H](CC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)C2=O)cc1 524732111 XVKQDGKHTCBIAM-LVFSCSRESA-N 440.500 1.370 0 40 IDAB biogenic COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3cc(C)nn3C)C2)n(-c2cccnc2)n1 2332241459 QOUBQEGFGJZSQM-YXJHDRRASA-N 425.493 1.278 0 40 IDAB CCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C 880827 HFKWRBJFUXZQFP-UHFFFAOYSA-N 447.517 1.592 0 40 IDAB CNS(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 2694827 QCNFFBFQISGRRE-UHFFFAOYSA-N 430.467 1.439 0 40 IDAB CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 4316516 UFRQGNQMNKVMHD-UHFFFAOYSA-N 428.512 1.923 0 40 IDAB COc1ccc([C@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)Nc3nc(SC)nn32)cc1 8995322 DGKMSOPAMVEPFC-CYBMUJFWSA-N 428.474 1.718 0 40 IDAB COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1 9508776 FTSOVGNHJFJHLK-UHFFFAOYSA-N 447.513 1.809 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCCc2ccc(F)cc2)cc1 9806195 MEBYOGOWHVOUOE-IBGZPJMESA-N 447.532 1.762 0 40 IDAB O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)Nc1ccc2c(c1)OCCO2 9857449 MHYGNZYOSJAQSC-UHFFFAOYSA-N 436.403 1.585 0 40 IDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 10054441 HPWRUTRRVTXDKF-UHFFFAOYSA-N 433.472 1.273 0 40 IDAB CCOc1ccccc1NCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 10108858 WHYYZWSULWXHPJ-AWEZNQCLSA-N 425.493 1.701 0 40 IDAB CC(=O)c1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 12984048 GILKPFBTOVHKRV-GOSISDBHSA-N 437.518 1.240 0 40 IDAB COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)N1CCOCC1 13519445 XALPYPDBUQEROW-UHFFFAOYSA-N 434.470 1.375 0 40 IDAB CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)c1ccc2c(c1)OCCO2 13668230 DXECPZUMOYEUGJ-UHFFFAOYSA-N 425.551 1.606 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)NC[C@@H]3CCCO3)CC1)O2 19218993 AEQDPZQDCBBPKE-SAHWJRBASA-N 429.517 1.552 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@H]1c1ccc(C)cc1 20674619 VMVDVPLTEPOZJT-OALUTQOASA-N 438.484 1.752 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC[C@H](c1cccs1)N1CCCC1 25383991 PDLLGSQPXXSLRA-GOSISDBHSA-N 445.589 1.862 0 40 IDAB CCS(=O)(=O)N1CCN(CC(=O)Nc2nn(Cc3ccccc3)cc2Cl)CC1 36007220 GZBCMQDCXUDGNI-UHFFFAOYSA-N 425.942 1.491 0 40 IDAB COc1cc(C(=O)NCC(=O)NCc2ccnc(N3CCCC3)c2)cc(OC)c1OC 36395015 VYXCKQCSKIDTCY-UHFFFAOYSA-N 428.489 1.754 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 54435628 TZXOVXPHTKPZIC-MSOLQXFVSA-N 448.520 1.056 0 40 IDAB COc1ccc(CNC(=O)CSc2cc(-n3ccc(C(=O)NC4CC4)n3)ncn2)cc1 57520272 IUMFKLHHYMVFNZ-UHFFFAOYSA-N 438.513 1.972 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(CN3CCOC3=O)cc2)C[C@@H](C)O1 58129806 YYVHDBLDQOBFOI-GASCZTMLSA-N 440.522 1.199 0 40 IDAB Cc1nc2c(cnn2-c2ccccc2)c(=O)n1NC(=O)CN1CCN(c2ccccc2)CC1 68739743 ODFIBNWCSHVFAI-UHFFFAOYSA-N 443.511 1.783 0 40 IDAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2ccc(Br)cc2)N(C)S(=O)(=O)N1 72335131 RTOLRMDBMARRNA-HUUCEWRRSA-N 442.339 1.709 0 40 IDAB COc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCC4CCOCC4)CC3)CC2=O)cc1 72403724 FAJAVZCZJZRECX-LJQANCHMSA-N 443.544 1.830 0 40 IDAB C[C@@H](C(=O)Nc1ccc(Br)cc1S(=O)(=O)N1CCOCC1)n1cncn1 84069700 IWUKWFBZPSGBKP-NSHDSACASA-N 444.311 1.261 0 40 IDAB CCOC(=O)N1CCC(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)CC1 90610123 MKQPBIVWKMPJCT-UHFFFAOYSA-N 448.907 1.449 0 40 IDAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CN2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O 104212713 HFRIHHATBWHSII-BCYZHJNNSA-N 446.548 1.130 0 40 IDAB CCOC(=O)[C@@H]1CNc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2O1 222376302 VJKZFBJHHUNAQE-FQEVSTJZSA-N 431.514 1.934 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222839134 YHPWPATUTYEOBK-MRXNPFEDSA-N 433.530 1.625 0 40 IDAB CCc1ccc(N(CC(=O)Nc2nnc(SCC(=O)OC)s2)S(C)(=O)=O)cc1 222839499 KFBUYEATJWHRMT-UHFFFAOYSA-N 444.560 1.770 0 40 IDAB Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3cncc(Br)c3)CC2)cn1 238970706 ZJNLPVQRPSIIOQ-UHFFFAOYSA-N 428.312 1.114 0 40 IDAB CN1c2ccccc2N(CCNC(=O)c2ccccc2S(=O)(=O)C(F)F)S1(=O)=O 253472563 NOSUNAGAHNPSFB-UHFFFAOYSA-N 445.469 1.614 0 40 IDAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCCN1CCCC1=O)[C@]1(C2)NC(=O)c2cccnc2N1 253595695 HOAPDDJDVGCSKP-DUBAVSPVSA-N 425.533 1.888 0 40 IDAB CN1C(=O)N[C@@H](c2ccc(C(=O)NCCNC(=O)c3cccnc3)cc2)[C@@H]2CCCO[C@@H]21 257299459 RQDDGUXKFLGMRE-IPJJNNNSSA-N 437.500 1.690 0 40 IDAB CN1CCN(C(=O)C[C@H]2CN(C(=O)CCN3CCCC3)CC[C@@H]2Oc2ccccc2)CC1 257326223 WWJIKHQIDQFVNF-GMAHTHKFSA-N 442.604 1.933 0 40 IDAB COc1ccc(CN2CC[C@@]3(Cc4nn(Cc5ccc(OC)cc5)c(=O)c(=O)n4C3)C2)cc1 306136598 PXUCPSKWANRINO-RUZDIDTESA-N 448.523 1.919 0 40 IDAB COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4cccc(C)n4)C2)C3)cc1 306137377 QURZZZHFIGVFFL-XMMPIXPASA-N 433.512 1.614 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 575421322 IXUYTFQZLXOODF-CVEARBPZSA-N 427.500 1.057 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O 575612095 KFUMPFPZYWJJCP-UHFFFAOYSA-N 449.507 1.153 0 40 IDAB O=C(NCC1CCCCC1)c1nnc2n1CCN1CCN(C(=O)Cc3ccccn3)C[C@@H]21 585109956 VFHSCAIIHBPVFF-IBGZPJMESA-N 437.548 1.425 0 40 IDAB CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 585272982 OAUZMTGNNUMPKY-XMMPIXPASA-N 426.561 1.866 0 40 IDAB Cn1nccc1C(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 585282990 AKSDXNPYMVHLSD-JOCHJYFZSA-N 446.479 1.098 0 40 IDAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CCCC4(CCOCC4)C3)cn2)CC1 608304542 ABWKMYAKQQFCQE-UHFFFAOYSA-N 437.566 1.588 0 40 IDAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(S(=O)(=O)c4cn(C)cn4)C3)C2)cc1 1258995053 HVOFMALXEBYVHV-LJQANCHMSA-N 433.490 1.367 0 40 IDAB COCCN1C[C@H](O)C(C)(C)COCCC[C@H]2CN(Cc3cncnc3)CC[C@H]2CC1=O 1534612851 NUSHREUSBVEKOJ-FKBYEOEOSA-N 448.608 1.977 0 40 IDAB COc1ccc(NC(=O)Cn2nc3ccc(S(=O)(=O)C(C)(C)C)nn3c2=O)cc1OC 1775967578 XBMKYLLYDREVAP-UHFFFAOYSA-N 449.489 1.119 0 40 IDAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 8944410 JVUJGXVHLOJZSS-UHFFFAOYSA-N 444.448 1.891 0 40 IDAB CC(C)[C@H]1C(O)=Nc2ccccc2N1C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C 9170903 UVELKMNWTXVIMC-VZEFYGNVSA-N 434.493 1.804 0 40 IDAB O=C(COC(=O)Cn1cnc2ccccc2c1=O)NC(=O)Nc1ccc2c(c1)OCCO2 9507857 LYSVFDLJVMXOBX-UHFFFAOYSA-N 438.396 1.059 0 40 IDAB O=C(CSc1ncc(CO)n1CC(=O)NC1CCCC1)Nc1ccc2c(c1)OCO2 9827589 AZOLSBTUUXOSBP-UHFFFAOYSA-N 432.502 1.894 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NC(=O)Nc1ccc2c(c1)OCO2 9873820 DILVJMQWYXBPNT-JOCHJYFZSA-N 436.424 1.847 0 40 IDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)cc2)C1 10608670 IFAMVFUIUOFHOY-GJZGRUSLSA-N 449.529 1.108 0 40 IDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 10758946 GOVAGBXSGVKAJC-FMKFIRIRSA-N 443.500 1.347 0 40 IDAB CCN(C(=O)COC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 11807045 ZLMHNLQEMPHLSM-HZRUHFOJSA-N 447.456 1.889 0 40 IDAB COc1ccccc1NS(=O)(=O)c1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1OC 13689274 GGWRCHHPIXDIIA-GFCCVEGCSA-N 440.499 1.817 0 40 IDAB O=C1NCCN(C(=O)/C=C/c2ccccc2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164534 MPCRLOUDUGUASH-LEQVUBRHSA-N 432.524 1.766 0 40 IDAB 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1.900 0 40 IDAB Nn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1-c1n[nH]c2c1CCC2 9541035 XVCULJASFJGVDS-UHFFFAOYSA-N 435.311 1.759 0 40 IDAB CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 12029847 MQQFXCIQIADXBJ-SFHVURJKSA-N 436.511 1.858 0 40 IDAB Cc1nc2sc3c(c2c2nn(CC(=O)N4CCNC(=O)C4(C)C)c(=O)n12)CC[C@H](C)C3 12132358 WWEYHZZKDGBANB-NSHDSACASA-N 442.545 1.276 0 40 IDAB COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)s1 12754457 XEJKFFONVPTGFV-UHFFFAOYSA-N 440.499 1.955 0 40 IDAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N[C@@H]1CCS(=O)(=O)C1 17638149 LYUDPBGPMUKEBD-MRXNPFEDSA-N 426.491 1.472 0 40 IDAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)nc12 19126960 SSBLRPFCDOIHAI-LJQANCHMSA-N 444.495 1.518 0 40 IDAB C[C@@H](NC(=O)c1ccc2ncccc2c1)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 19575426 JHEVNXWVPZMPRA-PBHICJAKSA-N 431.514 1.205 0 40 IDAB COc1ccc(CN2CCc3nc([C@@H]4CCCN4S(=O)(=O)N(C)C)nc(O)c3C2)cc1 19583689 JUNCIMXXSAZTPB-IBGZPJMESA-N 447.561 1.692 0 40 IDAB 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VWDAGKHIYNSYIT-VIFPVBQESA-N 428.679 1.660 0 40 IDAB O=C(CN1CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1)N1CCCC1 35338872 BUWGJOZYOJPATR-UHFFFAOYSA-N 445.523 1.766 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1CN(CCO)Cc1nnnn1Cc1ccccc1)OCO3 57642770 RGSYEWGYMXUJML-UHFFFAOYSA-N 434.456 1.286 0 40 IDAB COC(=O)CN(CC(=O)NCc1ccc2c(c1)OCO2)Cc1cc(OC)cc(OC)c1 60040385 XQALDEGDAVPWJA-UHFFFAOYSA-N 430.457 1.724 0 40 IDAB Cc1cccc([C@@H](CNC(=O)CS(=O)(=O)NC2CCC(C)CC2)N2CCOCC2)c1 60370505 FHJPXBXSAKUALU-FBPXKMNZSA-N 437.606 1.983 0 40 IDAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 61525770 PXUHKSVLMBUKCL-LLVKDONJSA-N 428.458 1.256 0 40 IDAB COCCCN(C)CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 72295867 NTXOMLJTIXLWIX-CALCHBBNSA-N 427.567 1.183 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)cc1 72303414 AXUDABBAJLMIRP-HNNXBMFYSA-N 440.547 1.526 0 40 IDAB C[C@@H](CCc1ccco1)NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326230 UDSWBOFLYZHAHB-OYHNWAKOSA-N 425.489 1.676 0 40 IDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)Cn3ncc4ccccc4c3=O)CC2)n1 72337132 JTRLUJFLONFGKB-UHFFFAOYSA-N 448.527 1.738 0 40 IDAB CCCCC[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(=O)O 95989702 WWTDHCKIYFCWPN-HNNXBMFYSA-N 438.550 1.906 0 40 IDAB COCCN1CC2(CCN(C(=O)c3cc(C)n[nH]3)CC2)COc2ccccc2S1(=O)=O 96145174 QFJLKBKDHPLDCN-UHFFFAOYSA-N 448.545 1.670 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)C2CCCCC2)sc2cc(S(N)(=O)=O)ccc21 100877520 OYSAQOFEDMAWFB-ZZEZOPTASA-N 425.532 1.921 0 40 IDAB COC(=O)C1CCN(C(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1 220220724 WZWRZZNOWDJAKR-CYBMUJFWSA-N 428.507 1.270 0 40 IDAB CC(C)c1nnsc1C(=O)N1CCN(C)[C@H](C(=O)NCCOc2cccc(F)c2)C1 257279188 OFLNYPJVKQAUTN-INIZCTEOSA-N 435.525 1.752 0 40 IDAB NS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 408604242 LNLZNBJPGOOCSK-UHFFFAOYSA-N 431.514 1.340 0 40 IDAB O=C(O)c1cccc(CN2CC3(C2)CN(C(=O)Cc2ccccc2)C[C@@H]2C[C@@H](O)CN23)c1 514288797 FBJZUTHTPMBRLZ-FCHUYYIVSA-N 435.524 1.459 0 40 IDAB biogenic,in-vitro COc1cc(CNC[C@@]2(O)CCCN(c3cnccn3)C2)ccc1OCCCN(C)C 585272080 IVOMZVWHYHPIPU-QHCPKHFHSA-N 429.565 1.937 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 585283158 QLLMJTLAOWHKRB-RXVVDRJESA-N 444.475 1.125 0 40 IDAB CC(C)c1nc(S(=O)(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)cn1C 585594256 VBYAYWRNSOJWFO-UHFFFAOYSA-N 444.565 1.758 0 40 IDAB O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)c3ccncc3)CC2)CN1 643565296 BOHRLPYQSFLYOH-VQTJNVASSA-N 439.512 1.167 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)cc1F 1565520738 KVXJUDKIIQRGSS-UHFFFAOYSA-N 432.481 1.659 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@](COc2ccccc2)(CC(=O)N2CCOCC2)C1 2037905442 HLSHICBGEQENCJ-FQEVSTJZSA-N 425.551 1.203 0 40 IDAB O=C(NCc1ccccc1)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCOCC3)cc2)C1 802462 IKXMFNAKRGNFFU-IBGZPJMESA-N 437.496 1.594 0 40 IDAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1 991001 UFWHPOARBPBVET-UHFFFAOYSA-N 434.470 1.740 0 40 IDAB Cc1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c1 2134502 DXEGUBZOOFITMD-VLAJGBEZSA-N 434.489 1.835 0 40 IDAB biogenic COC(=O)[C@H](CCSC)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 3128691 CSEZXGWZPOZYTJ-LBPRGKRZSA-N 439.353 1.138 0 40 IDAB CC(C)CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 8740993 IYQITJFFGRJRCQ-UHFFFAOYSA-N 430.940 1.903 0 40 IDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)nc2n1 8882508 HQIRADQHYAZHER-UHFFFAOYSA-N 435.444 1.334 0 40 IDAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O 9223134 QQTFSHZXAVRUII-UUOWRZLLSA-N 435.480 1.899 0 40 IDAB Cc1c(C(=O)O)sc2c1c(=O)n(Cc1ccccc1)c(=O)n2CCN1CCOCC1 9410495 DLCAHOMTTPYETD-UHFFFAOYSA-N 429.498 1.612 0 40 IDAB O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CN1Cc1ccccc1 9593643 UCXWOHCATWYSRN-NRFANRHFSA-N 441.553 1.709 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1COc2ccccc2O1 9632615 ALYOKPHWKCUILY-MRXNPFEDSA-N 432.498 1.586 0 40 IDAB C[C@@H]1Oc2ccc(NC(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)cc2NC1=O 9834471 WNWNWKKXHLKRIG-YTEVENLXSA-N 436.424 1.574 0 40 IDAB COC(=O)c1ccc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 10216337 AGQRHWWHEQXKRP-UHFFFAOYSA-N 428.470 1.458 0 40 IDAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(-n3cnnn3)cc2)c(=O)n(-c2ccccc2)n1C 13101460 GTKGPBZRNAFCME-HNNXBMFYSA-N 447.455 1.644 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)NC3CCCCC3)C2)cc1 13655063 VSCRLDHVPJDQHP-MRXNPFEDSA-N 437.562 1.661 0 40 IDAB CC(C)N1CCC2(CC1)NC(=O)N(C1CCN(S(=O)(=O)c3ccccc3)CC1)C2=O 19699525 SQBUKTDBSHUBDX-UHFFFAOYSA-N 434.562 1.635 0 40 IDAB COc1ccccc1CCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1OC 20744297 GRPNNHFCFWNPCO-UHFFFAOYSA-N 447.513 1.541 0 40 IDAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 23805273 JFMUONDGLKQIKX-QHCPKHFHSA-N 440.475 1.758 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCN2C[C@H](C)C[C@@H](C)C2)cc1 32929499 NNCAFBXRGUYFBC-IAGOWNOFSA-N 431.624 1.973 0 40 IDAB O=C(NC1CCN(c2ncccn2)CC1)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F 40108851 BQGDSGXUCOSBIW-UHFFFAOYSA-N 434.382 1.576 0 40 IDAB Cc1nc2ncnn2c(C)c1CCC(=O)NCc1cccc(OCCN2CCOCC2)c1 57985109 DUULYIHIHIQEQS-UHFFFAOYSA-N 438.532 1.701 0 40 IDAB CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C 69704179 RCSKLZZSXVVDIL-QGZVFWFLSA-N 425.576 1.819 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)CC1 72327605 TYXXFWVZMZNRSA-MWTRTKDXSA-N 427.501 1.482 0 40 IDAB CCCCNC(=O)CN1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 95947835 CUKFBYJNQCTSQU-UHFFFAOYSA-N 434.541 1.963 0 40 IDAB CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCCc4ccccc4)cn23)C1 96156748 XKUBQXLWNGJSRB-LJQANCHMSA-N 435.532 1.672 0 40 IDAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CCCO5)CC4)nn3c(O)c2C1 100243069 HXVYYQHTDVUGAC-SFHVURJKSA-N 427.505 1.615 0 40 IDAB CN1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3n[nH]cc3S(C)(=O)=O)cc2)CC1 257282124 OSKDQHCUQSIONI-GOSISDBHSA-N 446.577 1.341 0 40 IDAB Cc1cc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@@]42CCN(C(=O)NC(C)C)C2)no1 306139413 SWRQKIZTIPGEAK-JOCHJYFZSA-N 440.504 1.203 0 40 IDAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 408610085 UWHHRPQFWRYVCA-UHFFFAOYSA-N 445.541 1.600 0 40 IDAB Cc1cc(N2CCN(C(=O)CN(C3CC3)[C@H]3CCS(=O)(=O)C3)CC2)nc(C(C)C)n1 533387594 JWCBXGHFEBRSIS-SFHVURJKSA-N 435.594 1.209 0 40 IDAB COc1ncc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4ncc(C)cn4)C3)C2)cc1C 585102328 ZPGUCKPFCGAFEU-XMSQKQJNSA-N 427.505 1.173 0 40 IDAB CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)CCN1Cc2ccccc2C1=O 604405186 MJXWDUHRJGHNAH-IBGZPJMESA-N 437.496 1.749 0 40 IDAB biogenic COCCn1cnc2c(N3C[C@H]4CN(C(=O)c5cc(C)c(F)cn5)C[C@@H]4C3)ncnc21 1888918057 KJVQEAAZPPIOSD-GJZGRUSLSA-N 425.468 1.524 0 40 IDAB CCc1cc2c(=O)n(C)c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc2s1 2640349 NTLOKCVMYFDVEI-UHFFFAOYSA-N 438.556 1.936 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 3209771 UHUAYZYOHDEIKV-UHFFFAOYSA-N 437.543 1.974 0 40 IDAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1 9094971 VLTURSWELOESCI-UHFFFAOYSA-N 448.541 1.762 0 40 IDAB CN(C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 9715507 LHAQRUDUNUGAOD-GFCCVEGCSA-N 445.364 1.972 0 40 IDAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 9948891 BUCLZGDQOVSCCK-JTSKRJEESA-N 445.541 1.338 0 40 IDAB Cc1cc(NC(=O)CSCC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)no1 9959874 DHLQYTMDMVTEPH-UHFFFAOYSA-N 431.430 1.887 0 40 IDAB Cc1ccc(CNC(=O)CSc2nc(=O)n(N3CCN(C)CC3)c3c2CCC3)cc1 10255142 PIJHKGULIGEMCC-UHFFFAOYSA-N 427.574 1.332 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031474 QBGPQHZXJITYPU-ZDUSSCGKSA-N 441.458 1.768 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)N3C[C@H](C)O[C@H](C)C3)CC1)CNC2=O 12086681 KYPAOFOCFMPTMV-VBURHUQHSA-N 445.516 1.205 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2nnc3n2CCCCC3)cc1 12788889 KEGZOSXSIKPUPN-UHFFFAOYSA-N 437.547 1.304 0 40 IDAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(OC)cc1 12909209 ZWVXJTOCLVUJRT-LJQANCHMSA-N 431.514 1.697 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)Nc1ccccc1 13037961 RFOZKRMJYYIZCB-UHFFFAOYSA-N 431.514 1.793 0 40 IDAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1OC 13426678 MINOBWAIXJDIQH-SILNSSARSA-N 439.512 1.923 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(Br)o2)c(=O)[nH]c1=O 14624650 OBOGJPYHIFASBH-UHFFFAOYSA-N 429.271 1.568 0 40 IDAB O=c1/c(=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c2cccc3cccc1c32 15011527 ZUKWMJMTPAUMIY-DIBXZPPDSA-N 445.483 1.015 0 40 IDAB COc1ccc(-c2noc(C(=O)NCCNC(=O)c3ccccc3OC)n2)cc1OC 15082096 RKWFNCZZGQSLHR-UHFFFAOYSA-N 426.429 1.922 0 40 IDAB COc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C[C@]34C=C[C@H]2O4)cc(OC)c1OC 15905310 LQAIALVFPHCXFW-HPWZINAISA-N 444.484 1.612 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 16020152 DOUIWKYWWJPRLI-JAHYZZNOSA-N 439.899 1.950 0 40 IDAB CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)NC(=O)NC1 18329568 PEPZQMXMCYSSGO-UHFFFAOYSA-N 430.461 1.604 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)N3CCCCCC3)CC1)CNC2=O 19562738 VZZCTFYRUAWMSF-HSZRJFAPSA-N 429.517 1.971 0 40 IDAB CC(=O)N1CCN(CC[C@H]2CN(C(=O)c3ccc(N(C)C)cc3)CC[C@H]2CC(=O)O)CC1 20463256 FYFSLVMZRMULNM-SFTDATJTSA-N 444.576 1.860 0 40 IDAB biogenic,in-vitro O=C(CN1CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1)NC1CC1 22928604 BEFDUDPVIWUZTF-UHFFFAOYSA-N 447.539 1.336 0 40 IDAB CCOC(=O)C1=C(COC(=O)CSc2cccc[n+]2[O-])NC(=O)N[C@H]1c1ccc(C)o1 23014679 BWDRILFFZRCILC-SFHVURJKSA-N 447.469 1.728 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)CCN1 32631751 RWYPHUXYWVMGDP-UHFFFAOYSA-N 429.907 1.261 0 40 IDAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 38946942 YMNQXSDHDGVFSY-UXHICEINSA-N 435.455 1.896 0 40 IDAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 57674871 YJMPNNODMLNRCM-IBGZPJMESA-N 426.521 1.695 0 40 IDAB Cc1sc2nc(CN3CCOCC3)nc(NC[C@H](Cc3cnn(C)c3)C(N)=O)c2c1C 89565277 SSDZZMARBXYTRC-INIZCTEOSA-N 443.577 1.630 0 40 IDAB Cc1nc2n(c1CN1CCN(C(=O)Nc3ccnc(C(=O)N(C)C)c3)CC1)CCCC2 95942667 RGSQYVMYZSTLSW-UHFFFAOYSA-N 425.537 1.974 0 40 IDAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2nnnn2C)c2ccccc2)cc1 98087246 YUMCOWKXFYWACM-MRXNPFEDSA-N 432.531 1.980 0 40 IDAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@H](O)c4ccc5c(c4)CCO5)cc1c32 101326196 DUFCGTNFYFJYME-DJJJIMSYSA-N 435.480 1.806 0 40 IDAB CCn1cc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@](C)(N=3)[C@@H]2C(=O)OC)c(C)n1 102711013 XKWVEXZLFVLRPN-KGLOXBHBSA-N 438.509 1.384 0 40 IDAB CCN1C(=O)C[C@H](N2CCC(C3CCN(S(=O)(=O)N(CC)CC)CC3)CC2)C1=O 103462935 WDLBZIUCAYVMTP-SFHVURJKSA-N 428.599 1.144 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC[C@@H]1COc2ccccc2O1 225273271 NCQPOEWSACXSBT-QGZVFWFLSA-N 445.541 1.501 0 40 IDAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)CN1CCc3ccccc3C1)CC2 257255451 KHNHVRIFRWCJKR-HXUWFJFHSA-N 448.571 1.797 0 40 IDAB Cc1nonc1CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257285144 PFVNLRVXWSOHHC-MQSCRBSSSA-N 428.533 1.610 0 40 IDAB CCN(C(C)=O)[C@H]1CCOC2(CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)C1 257344591 ZXYCCBCXVUTUTL-KRWDZBQOSA-N 429.521 1.677 0 40 IDAB CCn1c(O)nc2cc(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)ccc2c1=O 512973853 QHXMBMKMOKETDR-INIZCTEOSA-N 436.468 1.532 0 40 IDAB COc1cc(CNC[C@@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN(C)C 585272968 NURBJADFASCLEZ-QHCPKHFHSA-N 444.580 1.223 0 40 IDAB Cc1nn(C)cc1CCC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585287446 XAZVSEUKZJSCCS-NRFANRHFSA-N 434.924 1.867 0 40 IDAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)n2)n1 1775969635 DHURTHHDABJBAS-UHFFFAOYSA-N 448.483 1.817 0 40 IDAB CCn1cc(S(=O)(=O)N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)nc1C 1888919579 XXELWYANBUFXSA-UHFFFAOYSA-N 428.518 1.885 0 40 IDAB COCc1nc2ccccc2n1CC(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 2037880153 JJSDSSJSHYUSML-QFIPXVFZSA-N 427.480 1.865 0 40 IDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CCCCC2)cc1 1379315 BWOPMOAOFZQAPJ-GOSISDBHSA-N 443.591 1.539 0 40 IDAB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3428451 FWBIGOXQLDATEK-UHFFFAOYSA-N 445.453 1.210 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 4076078 MDFADVWUTUMJKT-UHFFFAOYSA-N 437.543 1.726 0 40 IDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C 4411348 GPKHYEGVIIWOKA-XHSDSOJGSA-N 426.558 1.543 0 40 IDAB COCCNC(=S)N(CCCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6198453 KDOWEHHDVHXSTE-UHFFFAOYSA-N 434.562 1.574 0 40 IDAB COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1OC 9404010 GAANZHJCAHFIQU-UHFFFAOYSA-N 425.397 1.567 0 40 IDAB C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCc1nc(-c2ccccc2)no1 9477105 PCZHNKFHYUQEBD-ZDUSSCGKSA-N 432.440 1.337 0 40 IDAB O=C(Cn1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O)N1CCN(c2ccccc2)CC1 9517778 QHHWXBGDHMQEAV-UHFFFAOYSA-N 449.902 1.979 0 40 IDAB COC(=O)c1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)ccc1OC 9812442 DTHMJNZQIPHGPQ-OAHLLOKOSA-N 440.452 1.922 0 40 IDAB COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)c1 12030635 FBSMYGBPMOGQIH-INIZCTEOSA-N 439.511 1.917 0 40 IDAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1OC 12030644 YLNQTEJYIDIKLM-MRXNPFEDSA-N 439.511 1.917 0 40 IDAB CC(C)n1c(=O)n(CC(=O)N2CCCC2)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12220578 PGIRUVYXRVNQTD-UHFFFAOYSA-N 426.452 1.701 0 40 IDAB CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 12397272 RVOFYRJQHNGPCT-UHFFFAOYSA-N 438.594 1.343 0 40 IDAB CCCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 12639087 UJQYHZHMRBXKDK-UHFFFAOYSA-N 446.939 1.854 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3c(C)nn(C)c3C)CC2)cc1 12800984 FRAYJYLKAMRBPB-ZHACJKMWSA-N 432.546 1.982 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12820200 FRCPCYZJFOXZJW-HNNXBMFYSA-N 446.533 1.100 0 40 IDAB CCC(C)(C)N(CC(=O)NCc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N 13496073 JTTHTLHCRAIFBT-UHFFFAOYSA-N 447.517 1.500 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3ccccc3C)CC2)cc1 15730005 SZDQZQAYQMURGY-UHFFFAOYSA-N 447.557 1.505 0 40 IDAB CCCc1cc(=O)[nH]c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)n1 16681257 SYIRCGOFKSVJFT-UHFFFAOYSA-N 441.513 1.188 0 40 IDAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)Nc1ccc(N2CCCC2=O)cc1 17978972 UKRVXSHBPHUDJX-UHFFFAOYSA-N 440.481 1.847 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccs3)[nH]c2=O)C1 19520473 CFTROXCUNWCNOT-HNNXBMFYSA-N 436.559 1.907 0 40 IDAB CCOC(=O)C1=C(CSc2nnnn2C[C@@H]2CCCO2)NC(=O)N[C@@H]1c1ccccc1 29798595 MXKXHHDJIPDPJL-WMLDXEAASA-N 444.517 1.816 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)N1CCN(c2ccccc2F)CC1 38488422 DZFNHHPTIVLVKH-QGZVFWFLSA-N 434.537 1.890 0 40 IDAB CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 72284567 JSVBWUKRQRBOTB-UHFFFAOYSA-N 436.622 1.455 0 40 IDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C 89502441 HKDAFKFRKQKAGS-UHFFFAOYSA-N 447.513 1.752 0 40 IDAB CNC(=O)CN1CC2(CCN(c3ncc(F)cn3)CC2)COc2ccccc2S1(=O)=O 96145236 BUQYRADFTVBBPE-UHFFFAOYSA-N 449.508 1.032 0 40 IDAB COCCN1C(=O)/C(=C(\C)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)NC1=S 105209733 WVKAGLOUJUHOIU-NTCAYCPXSA-N 429.502 1.060 0 40 IDAB Cc1cc(OC2CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)CC2)cc(=O)o1 206972165 LAGIIGSLDXJBCV-UHFFFAOYSA-N 438.477 1.826 0 40 IDAB CSc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)s1 222915812 LWULAUIDTFYIMP-UHFFFAOYSA-N 427.577 1.590 0 40 IDAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl 224221408 PNLFCCGVXVOUDN-UHFFFAOYSA-N 448.950 1.956 0 40 IDAB O=C(N[C@@H](Cn1nccn1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 253472755 PGNHJHSFWKOYOG-FQEVSTJZSA-N 441.513 1.470 0 40 IDAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CCN(CC(=O)Nc1ccc(OC)cc1)C2 257233918 GRJCGBMGDUDMEA-MRXNPFEDSA-N 438.532 1.860 0 40 IDAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1ccc(C)n(C)c1=O)O[C@H](C(C)C)C(=O)N2 585280923 CTGZQJLEPWBOEP-QGZVFWFLSA-N 433.486 1.476 0 40 IDAB CO[C@H]1CN(C(C)=O)CCCN(C(=O)c2ccccc2F)CCCCOC[C@H](O)[C@@H]1O 643913173 IVZBDKZILXCWAZ-ACRUOGEOSA-N 440.512 1.054 0 40 IDAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 1357708 JNHUDBHMUSMDDS-BEFAXECRSA-N 432.550 1.758 0 40 IDAB CCC(=O)Nc1cc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)ccc1C 6149000 HMQXSEMYUMJNPW-UHFFFAOYSA-N 444.517 1.358 0 40 IDAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 9337027 XBJGVZYBCXUIMR-NRFANRHFSA-N 435.480 1.938 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)C[C@H](C)O1 9443874 ZXQIEBHFFJMYIP-STQMWFEESA-N 443.481 1.620 0 40 IDAB CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 9599592 RGZFHMDYNVSBKG-OAHLLOKOSA-N 443.481 1.622 0 40 IDAB O=C(CSc1nnc2n1CCCCC2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9788835 SQUFPDOWLMWOHS-UHFFFAOYSA-N 449.602 1.771 0 40 IDAB COc1ccc(Cl)cc1NCCN1N=C(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 10108790 CZBPMTXBCAVEKK-UHFFFAOYSA-N 431.884 1.404 0 40 IDAB C[C@H](C(=O)NCCCN1CCCC1=O)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 12086363 VKRTZIBLCCPPAL-MZNJEOGPSA-N 441.528 1.920 0 40 IDAB Cc1c(NC(=O)CSc2nnnn2C[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 14129357 HSOUBEADZGMEFC-HNNXBMFYSA-N 429.506 1.381 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccccn4)CC3)N2)cc1 14607050 CIJUHDPZSJTOHY-GOSISDBHSA-N 435.488 1.045 0 40 IDAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)CC2=O)cc1 16047646 RKFKJLHKJQPDNG-HNNXBMFYSA-N 446.485 1.447 0 40 IDAB COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCN(C)CC3)c(=O)[nH]c2c1 19940404 XEJFLCYRLJNORW-JOCHJYFZSA-N 445.527 1.908 0 40 IDAB COC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 20005722 YUMDHBOPGDILGI-CRAIPNDOSA-N 436.530 1.745 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c1 22705979 YHNAHYDHRLLDLH-KRWDZBQOSA-N 430.486 1.039 0 40 IDAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NCCN1CCOCC1 22767595 YXOAUPFRKFPTCZ-UHFFFAOYSA-N 427.526 1.923 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccccc4[nH]3)CC2)cc1C(N)=O 24759961 QSBGJIBEYZKUSD-UHFFFAOYSA-N 430.490 1.040 0 40 IDAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(CC(=O)N2CCNC2=O)CC1 24981575 HNSWVCAQWIPLKV-UHFFFAOYSA-N 436.578 1.459 0 40 IDAB O=C(O)CCCCCn1c(=O)c2cc3c(=O)n(CCCCCC(=O)O)c(=O)c3cc2c1=O 36644149 OSPZGNFXQYUPOL-UHFFFAOYSA-N 444.440 1.202 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)C2=NNC(=O)CC2)ccc1C 40159897 KJQHSDGRIGYIPD-CYBMUJFWSA-N 438.506 1.162 0 40 IDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1 41097399 JJWLTWUZLHOKDA-KRWDZBQOSA-N 444.484 1.733 0 40 IDAB O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 58298018 PFTVSYYEWFERJI-KGLIPLIRSA-N 426.395 1.473 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)C2CN(c3nc4c(F)cccc4s3)C2)cc1 62023140 QAOKZQLZMIPYEI-UHFFFAOYSA-N 434.518 1.878 0 40 IDAB O=C(CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3Cl)c21)N1CCOCC1 72336708 FJASKEIOMIOJFM-UHFFFAOYSA-N 428.880 1.777 0 40 IDAB c1cc(CN2CCN(c3cc(N4CCN(Cc5ccncc5)CC4)ncn3)CC2)ccn1 95972540 OIHDHCKTJSYHCV-UHFFFAOYSA-N 430.560 1.911 0 40 IDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NC[C@H](O)c2ccccc2)c2cc(Br)ccc21 101457841 MRBHLMSNSDQHIY-IRXDYDNUSA-N 446.301 1.823 0 40 IDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)c1 169687031 UFHDQKZEMIEXQO-ACTFIFLWSA-N 443.408 1.129 0 40 IDAB COc1ccccc1OC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225564510 VUUKNZCASWENKH-MRXNPFEDSA-N 434.514 1.913 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC[C@@H]2O)CC1 257204341 AUBXAVMVSIKKLQ-PMACEKPBSA-N 437.968 1.852 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)cc1 408590487 HKWLIDFZGKKDDT-QFIPXVFZSA-N 445.585 1.723 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888935235 GGQOYKUVKPZXLJ-BETUJISGSA-N 448.936 1.782 0 40 IDAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 2134546 JESAKGFQNKXLOS-VLAJGBEZSA-N 434.489 1.835 0 40 IDAB biogenic Cc1ccnc(SCCn2c(N3C[C@@H](C)C[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1 2430846 JDZMJVUQIWGCKI-KBPBESRZSA-N 443.577 1.807 0 40 IDAB CSC[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O 8918277 GSHBZIROFLLWJC-GJZGRUSLSA-N 443.566 1.557 0 40 IDAB biogenic CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 9218364 CDNRNUWIXGRLCB-LJQANCHMSA-N 427.530 1.494 0 40 IDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9222472 ZWKDJNHWZATFHG-UHFFFAOYSA-N 434.518 1.664 0 40 IDAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C(=O)c2ccco2)CC1 10027751 WBHIYPZFXKSNOW-UHFFFAOYSA-N 445.541 1.981 0 40 IDAB COC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 10273030 LUIZNRTUWKQHNG-IBGZPJMESA-N 446.481 1.959 0 40 IDAB O=C(CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)Nc1ccc2c(c1)OCO2 11337601 YRKJBZIKYPJHOF-OAHLLOKOSA-N 447.517 1.753 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(/C=C/C(=O)O)ccc2OC)cc1S(N)(=O)=O 12557219 MHFIROICVCMHRL-XBXARRHUSA-N 442.471 1.250 0 40 IDAB Cc1nc(Cc2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)o2)cs1 12750360 ATQFWBNEKQJVRL-UHFFFAOYSA-N 435.531 1.705 0 40 IDAB CCCCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 13061588 DCFQPKCJTJIHBN-VFNWGFHPSA-N 449.529 1.032 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2ccccc2)cc1 13522247 FOCMGLONSNCWQD-UHFFFAOYSA-N 433.486 1.173 0 40 IDAB Cc1csc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)n1 13598339 RCWAWHXTJKKDDI-UHFFFAOYSA-N 434.499 1.566 0 40 IDAB CN(C)c1ncc(-c2ccncc2)c(CCNC(=O)CS(=O)(=O)c2ccc(F)cc2)n1 19585348 VSJFKOLVNKZQPF-UHFFFAOYSA-N 443.504 1.876 0 40 IDAB Cc1nc([C@@H]2CCCN(C(=O)Cn3cccnc3=O)C2)ncc1C(=O)NCc1ccccc1 19765425 IJBPMSYGEMZUJS-LJQANCHMSA-N 446.511 1.678 0 40 IDAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(CC(=O)NC[C@H]4CCCO4)CC3)c2c1 20733781 FKEBPWFUVXXEFG-IIBYNOLFSA-N 430.505 1.215 0 40 IDAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1 22247705 VYXDLHXVKMDTGS-NRFANRHFSA-N 431.558 1.749 0 40 IDAB Cc1nc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n(C[C@H]2CCCO2)c1C 24514426 QXCZEMZKJSBPRC-OAHLLOKOSA-N 432.550 1.608 0 40 IDAB COc1ccc(C(C)=O)cc1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 32674732 JGRSRCDJZCTDAA-JOCHJYFZSA-N 438.480 1.951 0 40 IDAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 32818422 JDKKCTXTGOTISY-HZPDHXFCSA-N 429.970 1.771 0 40 IDAB COc1ccc(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c3cnn(C)c3n2)cc1 36613222 OAPPECARVMFHID-UHFFFAOYSA-N 429.502 1.361 0 40 IDAB C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)C[C@H](C)O1 40142422 ISANZPJVBRNCNT-GJZGRUSLSA-N 437.500 1.161 0 40 IDAB COC(=O)c1cnc(NC[C@H]2Cc3ccccc3O2)c(S(=O)(=O)N2CCOCC2)c1 48234456 STILPCZVCNQVIW-MRXNPFEDSA-N 433.486 1.305 0 40 IDAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN([C@]1(C)CCS(=O)(=O)C1)C3 57151473 LPWRRYTZGDSBMF-OAQYLSRUSA-N 435.498 1.854 0 40 IDAB O=C(CN1CCN(c2ccccc2O)CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 57315384 FKNUPJDIYLXVHF-KRWDZBQOSA-N 449.598 1.792 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)S[C@@H]([C@H]3SC(=O)NC3=O)C2=O)cc1 65090515 ANODIKIDQNDLGU-NEPJUHHUSA-N 437.455 1.217 0 40 IDAB CCc1nnc(NC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)s1 72326844 LBJCGIXLVREFOW-ODXCJYRJSA-N 428.518 1.992 0 40 IDAB COc1cc2c(cc1CN1CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C1)OCO2 72347314 MZNBBBKPCWGQGY-ZIAGYGMSSA-N 428.489 1.679 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC(=O)OCC2CC2)c1C 95451508 BAPZMOXGMVRTOK-ROUUACIJSA-N 438.546 1.114 0 40 IDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 101395647 MKYIOBGSZDLCBX-CALCHBBNSA-N 444.513 1.437 0 40 IDAB O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)N2CCC3(CC2)OCCO3)CC1 101447832 OZGVSOZZAKYRGJ-PUZFROQSSA-N 443.544 1.705 0 40 IDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 102289080 NDIPFGQEQGJMQI-IQGAEYHTSA-N 443.525 1.607 0 40 IDAB Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CC4)[C@@H](C(=O)NC4CCCC4)[C@@]34C=C[C@H]2O4)no1 245227638 RDQVWFSCWYQCKD-VEYJHQLJSA-N 426.473 1.293 0 40 IDAB C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1 408616197 XDGHFGKKTHKKPQ-CABCVRRESA-N 429.448 1.693 0 40 IDAB COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409114242 GJEAXUCHDJAUAT-UHFFFAOYSA-N 438.502 1.358 0 40 IDAB COc1cc2ncn(CC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)c(=O)c2cc1OC 524731712 IGKOOIADSZKOFQ-VKJFTORMSA-N 440.500 1.273 0 40 IDAB biogenic CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC 575420624 DLBAXATXFCPLJY-QGZVFWFLSA-N 432.608 1.913 0 40 IDAB CCn1nc(C)c(S(=O)(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5CC)C[C@@H]3C2)c1C 2087065707 AKOLKTDJDOGVDP-IYBDPMFKSA-N 444.565 1.436 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](CCC(=O)O)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 2128889 PCTAVKIIFJGKCY-XITLKHQFSA-N 425.485 1.831 0 40 IDAB biogenic Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)NCCN1C(=O)CSC1=O 3322607 LSXPTUUHAGTTNY-UHFFFAOYSA-N 430.486 1.517 0 40 IDAB CCc1cccc(OC[C@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 4370903 MAKSUMATINUOPC-MRXNPFEDSA-N 427.505 1.416 0 40 IDAB CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c2ccccc2O1 8861001 YQLFBLVRFUKTEE-KRWDZBQOSA-N 449.554 1.615 0 40 IDAB Cc1ccc(NC(=O)C(=O)NCCCN(C)C(=O)CCn2c(=O)oc3ccccc32)cc1 9225709 VWZOHFKSLKXVDO-UHFFFAOYSA-N 438.484 1.896 0 40 IDAB Cn1nc(CC(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc2c1=O 9739047 RMSAUVFCMXWNNU-NRFANRHFSA-N 448.479 1.129 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CCSC)C(=O)O)CC2)cc1 9783290 UMCQELPOARYZFV-INIZCTEOSA-N 430.548 1.418 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1=O 10803054 FWWMRMLFTKSPLB-HXUWFJFHSA-N 428.470 1.121 0 40 IDAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 12323033 KNRNUHCLCXISSR-ZBCRRDGASA-N 432.539 1.214 0 40 IDAB COc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc(Cl)c1OCC(N)=O 12780049 PFQPKLHDQCOKNP-UHFFFAOYSA-N 430.848 1.721 0 40 IDAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12782621 FSXMHAZCTAGXOK-CQSZACIVSA-N 436.559 1.322 0 40 IDAB COc1ccc([C@H](CC(=O)O)NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1OC 12892141 WGKALOXGHZGKAW-HNNXBMFYSA-N 427.413 1.039 0 40 IDAB biogenic CC[C@H](C)N(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 13041149 NWJBEJSMUSMDSQ-VFCRVFHLSA-N 449.529 1.030 0 40 IDAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 13521845 JBMDVRIFKUWBDD-UHFFFAOYSA-N 434.905 1.689 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)c1ccc2c(c1)OCO2 13668306 OFABUBIVHOQSIS-UHFFFAOYSA-N 425.551 1.954 0 40 IDAB CC(=O)N1CCCN(C(=O)CN2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)CC1 19017619 UPMOLZDIIMNDPB-HSZRJFAPSA-N 427.501 1.484 0 40 IDAB COc1ccc(CN2CCc3c([nH]c([C@@H]4CCN(C(=O)c5ccn(C)n5)C4)nc3=O)C2)cc1 19290878 GHZMVKJTEUECGB-QGZVFWFLSA-N 448.527 1.700 0 40 IDAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCCN4CCOCC4)C3)c2N)cc1 19558762 OPICFRFPQNWBSU-QGZVFWFLSA-N 441.532 1.607 0 40 IDAB CN(C)CCN1CCN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccccc3)C2)CC1 19582859 SPHASHXOCFBEDF-VQTJNVASSA-N 428.606 1.427 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 20566235 AFTUVLJUYFUBFM-MVOHMCPASA-N 449.507 1.619 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3OC)CC2)cc1 22732945 BOKNRNOHHCLNIC-UHFFFAOYSA-N 433.530 1.440 0 40 IDAB COCCNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)s1 23141910 IFLLPWZMCOSHBY-UHFFFAOYSA-N 435.575 1.664 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)NCc2ccccc2CN2CCOCC2)nc1N 24759320 HRWIZQHWEIFPFH-UHFFFAOYSA-N 445.545 1.476 0 40 IDAB COc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 25426775 GCKOXQOQBCMPFE-UHFFFAOYSA-N 441.484 1.507 0 40 IDAB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)N2CCCC2)c2ccccc12 39556664 SJAUGLCOOTXVQQ-WQRHYEAKSA-N 440.525 1.837 0 40 IDAB C[C@@H]1CN(Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)s3)cc2)C[C@@H](C)O1 40154628 ZNJDLEOFQANBAQ-HUUCEWRRSA-N 437.587 1.977 0 40 IDAB O=C(COc1coc(CN2CCSCC2)cc1=O)N1CCN(Cc2ccccc2)CC1 44901485 FTIHZJUYSAQGDR-UHFFFAOYSA-N 443.569 1.912 0 40 IDAB O=C(CN1CCN(S(=O)(=O)CCn2cnc3ccccc32)CC1)Nc1cccc(F)c1 48302471 MMCGRKRKAHNWTM-UHFFFAOYSA-N 445.520 1.762 0 40 IDAB CC[C@@H](C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1F 77291263 ROZMKYXKWMBTLS-LUNYSYNUSA-N 443.428 1.758 0 40 IDAB in-vitro COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 95115747 KSQBJQBUSNNORM-HULNYRCFSA-N 447.491 1.589 0 40 IDAB Cc1cc(=O)c(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1C 95477623 TWEYWFOZMKEAAJ-UHFFFAOYSA-N 439.921 1.259 0 40 IDAB Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 95980146 NYURJCPDFONSEQ-ZDUSSCGKSA-N 426.882 1.773 0 40 IDAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 222948046 SFQQPTPLSYMECF-HXUWFJFHSA-N 446.573 1.853 0 40 IDAB COc1cc(C(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc(OC)c1OC 225605948 DVAYHGHDUPETCL-UHFFFAOYSA-N 428.489 1.843 0 40 IDAB Cc1nc(CN2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)C2)co1 257320049 VVCUGCKOUYDPSL-QHCPKHFHSA-N 446.523 1.936 0 40 IDAB CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)CN(C(=O)c3cccn3C)CC2)C1 306124926 CCLFHQNDXVJGIT-HSZRJFAPSA-N 438.532 1.246 0 40 IDAB COCCNC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1C 408627049 XRSYUQLQELEVLD-UHFFFAOYSA-N 431.558 1.878 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCc3c(O)ncnc3C2)c(C)c1 680224293 WGIXZMUFNFHUCN-SFHVURJKSA-N 430.530 1.845 0 40 IDAB O=C(NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCC1 3027861 NKMPIHCTNSVICE-KRWDZBQOSA-N 427.498 1.128 0 40 IDAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccncc2)(C(F)(F)F)C(=O)N3)cc1 3622960 LXZWANOZNMYUCL-LJQANCHMSA-N 445.357 1.369 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3sccc3C(N)=O)CC2)cc1 9257600 BAVKVACZHMILRU-UHFFFAOYSA-N 436.559 1.491 0 40 IDAB Cc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N(C)C 9335716 OQVBNAZWAVUWFY-UHFFFAOYSA-N 429.495 1.301 0 40 IDAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O 11591227 BLPGBNKAKCRQNU-HXUWFJFHSA-N 427.438 1.061 0 40 IDAB CCCc1nc(SCC(=O)Nc2cccc(OC)c2)c2c(=O)n(C)c(=O)n(C)c2n1 11758091 LTSLJHIRENJGJD-UHFFFAOYSA-N 429.502 1.719 0 40 IDAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)N(C)S(=O)(=O)N1 12131219 NFBZOFQMQBAUTI-GJZGRUSLSA-N 431.440 1.966 0 40 IDAB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1OC 13135054 YIRFWQZHUKOYRB-UHFFFAOYSA-N 428.850 1.800 0 40 IDAB NC(=O)Cn1c(CSc2nnc(NC[C@@H]3CCCO3)s2)nc2ccccc2c1=O 13163635 BTSCSOWIHFRGJY-NSHDSACASA-N 432.531 1.617 0 40 IDAB O=C(NCCCN1CCCC1=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 14125887 WHTNTXYSOKIQLY-UHFFFAOYSA-N 444.351 1.632 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N2CCOCC2)cc1 14167701 DCFHHEPVRAMMQU-AEFFLSMTSA-N 426.535 1.479 0 40 IDAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCOCC1 14184341 GIDSFOZBXIDSPC-HNNXBMFYSA-N 426.535 1.443 0 40 IDAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 17477805 VGKNWIBZROQDHO-UHFFFAOYSA-N 428.470 1.056 0 40 IDAB O=C(CN1CCN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1)Nc1ccc(F)cc1 18058580 SUMKPUWFAHJUCZ-OALUTQOASA-N 442.491 1.250 0 40 IDAB Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 19104626 SYEBUQMXEPDSDZ-UHFFFAOYSA-N 431.543 1.945 0 40 IDAB CC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 19433229 DLKSOEZYPAWZMJ-UHFFFAOYSA-N 437.452 1.928 0 40 IDAB COc1cccc(CNC(=O)Cn2nc3c(cc2=O)CCc2nc(N4CCCC4)ncc2-3)c1 19565564 GNAHWLORQOBEEI-UHFFFAOYSA-N 446.511 1.724 0 40 IDAB COc1cc2cc(N)c(C3CCN(C(=O)CN4CCN(C)CC4)CC3)nc2cc1OC 19589973 RFSLEZICRLREQV-UHFFFAOYSA-N 427.549 1.788 0 40 IDAB Cn1c(=O)n(C)c2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)ccc21 21524864 KKJUSNMEJWPXKF-CYBMUJFWSA-N 434.543 1.978 0 40 IDAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O 22829841 UGYZSAZMPRFHMC-HNNXBMFYSA-N 447.001 1.257 0 40 IDAB Cc1nn(Cc2cccc(C(=O)Nc3cc(=O)n(C)c(=O)n3C)c2)c(C)c1Br 27970741 BBKFKHUAHUHASA-UHFFFAOYSA-N 446.305 1.960 0 40 IDAB O=C1N=C(O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C(=O)N1 33392469 DNGSTKSJUZNYEO-UHFFFAOYSA-N 438.234 1.276 0 40 IDAB COc1ccc(CNC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)cc1 72326308 RVYQWIFSOFJXQO-CMJOXMDJSA-N 437.500 1.659 0 40 IDAB CCc1nnc(NC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)s1 72326738 UGKBONPSYCMVEU-MPBGBICISA-N 429.502 1.959 0 40 IDAB CN(C)C(=O)c1cc2c(nc1N)CCN(C(=O)CCOc1ccc3c(c1)OCCO3)C2 72345686 HSWXQOHFULAQAL-UHFFFAOYSA-N 426.473 1.491 0 40 IDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 72396908 XWOUMWCKBCPVMT-INIZCTEOSA-N 444.513 1.150 0 40 IDAB CC(=O)O[C@@H]1[C@H](OC(=O)c2ccccc2)C=C[C@H](O)[C@]1(O)COC(=O)c1ccccc1 85881057 WTFRADBWXYQLMA-VLVHOKLOSA-N 426.421 1.663 0 40 IDAB biogenic,in-vitro CCOC(=O)C1=NN[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12 100910866 PEGQUHIGERVKBN-UWVGGRQHSA-N 433.774 1.042 0 40 IDAB COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cccc1OC 408535316 VVBPZMKWLZKHCF-XNTDXEJSSA-N 434.470 1.906 0 40 IDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1=O 408548147 DMUADBNDUHZEIT-LICLKQGHSA-N 427.388 1.909 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 408693266 LVLXOIOJLIOSRO-UHFFFAOYSA-N 434.514 1.697 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 409196613 QICVWIAGYDLKTA-UHFFFAOYSA-N 425.532 1.592 0 40 IDAB CCCC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)CN(C(C)=O)CC1 643913306 QAVHOCSZRWRYAY-KCZVDYSFSA-N 430.586 1.427 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Cc4cn(C)c5ccccc45)C[C@H]23)n1 1549163147 ZJZISCMORWWXGF-FQEVSTJZSA-N 446.511 1.741 0 40 IDAB CCc1ccc(C(=O)N2CCC3(CC2)O[C@H](C(=O)N2CCOCC2)Cn2ccnc23)cn1 2055795949 YYYNDQFWAQGCHL-IBGZPJMESA-N 439.516 1.230 0 40 IDAB O=C(O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 2130456 OECOESKZBWEZIY-QYUDBREXSA-N 425.485 1.995 0 40 IDAB biogenic COCCn1c(N2CCN(Cc3cc(C)ccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C 4316553 RDHWCCYATLKOJQ-UHFFFAOYSA-N 426.521 1.009 0 40 IDAB Cc1cc(NC(=O)CSc2nc(CC(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)no1 8828682 IEGQCLFBUBUJSY-UHFFFAOYSA-N 432.506 1.643 0 40 IDAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 9468856 XEYXXQKDDKYGMZ-UHFFFAOYSA-N 441.531 1.575 0 40 IDAB CCCCN(C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 9585139 UZEFBNYGNGWMQU-VGSWGCGISA-N 447.557 1.586 0 40 IDAB O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c2ccc(F)cc2N1 11336328 UYOOPSPZMWADQS-KRWDZBQOSA-N 435.452 1.924 0 40 IDAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 11739616 XAOXSFYDGCTNGP-UHFFFAOYSA-N 432.502 1.055 0 40 IDAB C[C@H](C(=O)N1CCC[C@@H](CO)C1)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 12085905 RJYHKSUIFCCMBY-DOQJBMMISA-N 448.951 1.824 0 40 IDAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)C[C@H]2CCCO2)CC1 12230021 FRVLGJZLKANTBO-QGZVFWFLSA-N 431.518 1.249 0 40 IDAB COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 12232088 QCOOOXFWNJLEPV-UHFFFAOYSA-N 440.479 1.841 0 40 IDAB O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 13128269 SNZGWBLJJWVCPI-UHFFFAOYSA-N 447.492 1.330 0 40 IDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 13164512 DRWBCGBJJDBRIW-UHFFFAOYSA-N 441.532 1.251 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 16026191 NOQMWPSDBROJAC-SYSFZUQMSA-N 432.480 1.099 0 40 IDAB biogenic CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(=O)c3ccccc3)cc2)cn1 17098856 SNFGMZOQLVFOFL-UHFFFAOYSA-N 434.499 1.823 0 40 IDAB CN(C)C(=S)/N=c1\ss/c(=N\C(=S)N(C)C)n1-c1ccc2c(c1)OCO2 18252098 XUGJFKHVMVEQAN-RYOQUFEFSA-N 427.602 1.823 0 40 IDAB CCN(C(=O)[C@@H](C)OC(=O)c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 18520082 VRFITMBRXMCQNK-YPMHNXCESA-N 431.894 1.692 0 40 IDAB C[C@H]1CN(CC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)C[C@@H](C)O1 19497439 XIMKJQQUVBUZAU-RYUMIWLPSA-N 437.487 1.275 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2S(=O)(=O)N2CCCC2)n1 19689724 YDDHDBOJOCTYDN-SFHVURJKSA-N 444.561 1.786 0 40 IDAB Cc1ncc(C(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)c(C)n1 19703143 YLWBRQFKBZYMQU-MRXNPFEDSA-N 441.513 1.639 0 40 IDAB CC(C)N1CCC(NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)CC1 19750852 MDLRWQIYXIVOKI-UHFFFAOYSA-N 428.508 1.906 0 40 IDAB O=C(NCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19861126 GYSCRJZJWHGPEZ-QGZVFWFLSA-N 429.970 1.330 0 40 IDAB CC[C@@H](C)NC(=O)CN1CCN(CN2C(=O)C(=O)c3c(Br)cccc32)CC1 22916833 AURRUKXEQPHDFF-CYBMUJFWSA-N 437.338 1.468 0 40 IDAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)NN1C(=O)N[C@@](C)(CC)C1=O 24797700 ALOASQQGLANJDZ-IBGZPJMESA-N 443.426 1.506 0 40 IDAB Cc1cc(N2C[C@@H](C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2=O)ccc1Br 32795616 USQHIZKRTOKWHG-JSGCOSHPSA-N 429.336 1.756 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)cc1 45970378 GYDFEIYOYQUWAU-UHFFFAOYSA-N 429.458 1.115 0 40 IDAB COC(=O)[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 58142264 ZDXFAOYHKLKZMD-GXTWGEPZSA-N 433.324 1.451 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)NCc1ccc2c(c1)OCO2 67197198 QKMAOFWXLLCOSB-UHFFFAOYSA-N 433.420 1.850 0 40 IDAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)NCc3ccco3)C2)CC1 79053264 FJXUVGWRUAMPNG-UHFFFAOYSA-N 428.511 1.056 0 40 IDAB COC(=O)CN1Cc2c(C(=O)Nc3ccccn3)ncn2-c2ccccc2S1(=O)=O 96266228 CLQWSMMKSMPQAG-UHFFFAOYSA-N 427.442 1.197 0 40 IDAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(OC(C)=O)OC(C)=O)C=C[C@]3(C)O2)cc1 100339636 MWDJUKCLWRCKSS-FHQLIMNDSA-N 443.408 1.267 0 40 IDAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCN3CCCC3=O)c2)cc1 224286227 BWISBILQZXXASI-UHFFFAOYSA-N 431.514 1.873 0 40 IDAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1N1C(=O)CCC1=O 225764459 QJTSXOBYNHLEOC-UHFFFAOYSA-N 442.453 1.877 0 40 IDAB CCCN1C(=O)N[C@@H](CC(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)C1=O 257294090 QSJUYMPFNANRMU-LEWJYISDSA-N 448.523 1.944 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)CC1 408610773 VUZGOEVOZFVSDO-HNNXBMFYSA-N 427.523 1.441 0 40 IDAB COc1cc([C@@H](CC(=O)NCCN2CCOCC2)c2oc(C)cc(=O)c2O)ccc1O 524731401 WDQWGDYNKAXFCQ-MRXNPFEDSA-N 432.473 1.338 0 40 IDAB biogenic O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CN2CCN(c3ccccn3)CC2)[C@@H](O)C1 585284282 JJPMCRWFPNKQGL-REWPJTCUSA-N 444.963 1.424 0 40 IDAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 1793004 BTFVZDPYFVEGQM-UHFFFAOYSA-N 449.916 1.058 0 40 IDAB CC(C)(C)C(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1 4124402 XTHCCECFXZPRBX-KRWDZBQOSA-N 428.342 1.537 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1C(N)=O 9244507 UWMPCXUXQOEJOP-UHFFFAOYSA-N 433.486 1.132 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2C2CCCC2)C1=O 9503508 FLSRAAFPHIHKHR-IBGZPJMESA-N 429.506 1.769 0 40 IDAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 9672078 XPJWDKMOWVKQCV-UHFFFAOYSA-N 431.514 1.727 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)C2=NN(c3ccccc3)C(=O)CC2)c(=O)[nH]c1=O 9987392 OYFZWQXXQUQFMF-UHFFFAOYSA-N 426.477 1.455 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)ccc2=O)cc1 11744004 NFRCBJSITFRQBG-UHFFFAOYSA-N 428.470 1.461 0 40 IDAB CCN(CCc1ccncc1)S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C 11859309 UAYYFFRZDCDHBQ-UHFFFAOYSA-N 437.543 1.710 0 40 IDAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030779 LLGGMPDRUZJOBH-INIZCTEOSA-N 437.495 1.671 0 40 IDAB CCOC(=O)[C@@H](NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)C(C)C 12085665 QOTWJSUCPZQIEC-UGKGYDQZSA-N 431.489 1.222 0 40 IDAB CCCCn1c2c(c(=O)n(C)c1=O)[C@@H](CC(=O)Nc1nc3c(s1)CCCC3)C(=O)N2 12569680 QOAYUWRDTJJDAJ-LLVKDONJSA-N 431.518 1.747 0 40 IDAB COC(=O)c1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036844 GNYQLDYCQXKQSL-UHFFFAOYSA-N 443.467 1.960 0 40 IDAB COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccco1)c1ccncc1 13502449 ZMPIKHMAEONTIL-QFIPXVFZSA-N 448.483 1.952 0 40 IDAB CCOc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccccn1 13723071 YGOHHSGDKRSELA-CYBMUJFWSA-N 439.515 1.271 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1 14022805 FIRVBTASNOSCFB-OAHLLOKOSA-N 437.543 1.682 0 40 IDAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2)C1=O 15858619 FKCYSBWRBACSAM-UHFFFAOYSA-N 445.497 1.580 0 40 IDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc2c(c1)OCCO2 18073427 MRUGFCCQFRHYNW-FQEVSTJZSA-N 443.525 1.880 0 40 IDAB Cc1cc(N)nc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 19317932 HEIIZDUNMWDAGX-UHFFFAOYSA-N 447.995 1.707 0 40 IDAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)C2CCOCC2)CC3)CC1 19462938 NWWNZFWEBLHOKD-PBHICJAKSA-N 428.533 1.443 0 40 IDAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 23257953 PPJJQUXEUAZYSN-UHFFFAOYSA-N 443.636 1.690 0 40 IDAB Cn1c(Cc2cccs2)nnc1SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 23818648 JEUHETLQEBURAH-UHFFFAOYSA-N 434.547 1.845 0 40 IDAB CCOc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1 32615427 SNNXONRBJNFGCT-UHFFFAOYSA-N 431.452 1.991 0 40 IDAB CCOC(=O)CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 79111124 LAONIAJBKOLTQW-UHFFFAOYSA-N 441.550 1.310 0 40 IDAB CC(=O)N1C(=S)NC(=O)/C1=C1/C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc21 100894796 RSQLUTVPMIASTO-ZCXUNETKSA-N 438.440 1.785 0 40 IDAB COC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224839251 WKINUOCMJOKDLZ-UHFFFAOYSA-N 435.454 1.921 0 40 IDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4ccc5c(c4)OCO5)C[C@@H]32)cc1 306141159 VMTFRXJMPOIACG-RBUKOAKNSA-N 432.480 1.720 0 40 IDAB C[C@@]1(c2cccc(C(=O)N[C@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)c2)NC(=O)NC1=O 508010031 JDEXMIPTOBIRJO-SBUREZEXSA-N 448.458 1.884 0 40 IDAB Cc1cnc(Nc2nc(C3CCN(C(=O)[C@H]4COCCN4)CC3)cn3cccc23)s1 585263300 VJSNVRHFEJDRRR-QGZVFWFLSA-N 426.546 2.537 0 40 IDAB COc1cc(C)c(C)cc1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nnc(C)n4n3)C[C@@H]2C1 1888919653 GRDAHAASWWTYHB-CALCHBBNSA-N 442.545 1.815 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5ccccc5F)C[C@H]4C3)ncnc21 1888930524 JGXGAMBIOQEVGW-IYBDPMFKSA-N 430.509 1.883 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccc(OC)c(C)c5)C[C@@H]4C3)ncnc21 2087069169 NWVSCEHNSOCVOX-HOTGVXAUSA-N 442.545 1.920 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2)n(C)c1=O 6089410 XVFGVZSBFOZMHA-LBPRGKRZSA-N 431.880 1.901 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 9291243 CBETWTCGHZUTSL-SFHVURJKSA-N 449.511 1.808 0 40 IDAB NC(=O)c1cc(NC(=O)COC(=O)COc2cccc(C(F)(F)F)c2)cc(C(N)=O)c1 9507181 ZCGBJRJGXTYQKG-UHFFFAOYSA-N 439.346 1.464 0 40 IDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21)Nc1cccc(F)c1 9748080 QBYBDDBHNXSDPH-QZTJIDSGSA-N 425.376 1.529 0 40 IDAB CC[C@@H](OC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)cc1)C(=O)c1ccccc1 10039647 CZZDZHIROJCJHV-GOSISDBHSA-N 432.498 1.594 0 40 IDAB Cc1c(C(=O)N2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)cnn1C 12133292 JNSKEZWWIRBGFL-UHFFFAOYSA-N 432.550 1.542 0 40 IDAB C[C@]12CN(Cc3ccccc3)C[C@H]1C(=O)N(CCN1CCOCC1)c1ccccc1C(=O)N2 12231863 HVKGSRIAHCNGCZ-NVQXNPDNSA-N 448.567 1.986 0 40 IDAB CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1Cl 12232336 ZFVVVVAPMZDHMU-LLVKDONJSA-N 442.303 1.992 0 40 IDAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1ccccc1 13722530 BFCYBUHETRUXBX-UHFFFAOYSA-N 438.527 1.673 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)NC(=O)NC1 14240426 VPETWCXBLYLBFN-AWEZNQCLSA-N 449.891 1.865 0 40 IDAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(=O)[nH]c1 16678074 LEZBYYMIYXDMNH-UHFFFAOYSA-N 432.502 1.248 0 40 IDAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)cc1 19290320 YKSKBYUXEKNYSX-UHFFFAOYSA-N 441.513 1.637 0 40 IDAB CN(C)c1ncc2c(=O)[nH]c([C@H]3CCCN(C(=O)CCCN4CCCC4=O)C3)cc2n1 19585620 NOLOOIVYYIXISY-HNNXBMFYSA-N 426.521 1.493 0 40 IDAB CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1 20480055 GKVYMERXYGBXIW-MRXNPFEDSA-N 444.536 1.338 0 40 IDAB COc1cc(CNCCCSc2nnnn2C)cc(Br)c1OCC(N)=O 22109257 DHQMQQJCMXXGOG-UHFFFAOYSA-N 445.343 1.117 0 40 IDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(Cc3csc(-c4ccco4)n3)CC2)C1=O 22989977 BPMMPBVXMABRIT-NRFANRHFSA-N 443.529 1.768 0 40 IDAB COC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)cc1 23820029 YXGYFRPEIXKUFO-JOCHJYFZSA-N 439.424 1.694 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 32093689 SLUSMWTXTGZZOH-UHFFFAOYSA-N 426.520 1.025 0 40 IDAB COc1ccc(C(=O)CSc2nnc(CCc3c(C)[nH]c(=O)n(C)c3=O)o2)cc1OC 35597133 ZIBYMOWNHVXZMN-UHFFFAOYSA-N 446.485 1.542 0 40 IDAB Nc1nonc1C(=O)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352464 KWEWQCDOMUGYEO-GFCCVEGCSA-N 427.486 1.969 0 40 IDAB Cc1cc(NC(=O)CSCC(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)no1 89606734 OZTWOEKQACZXPO-ZDUSSCGKSA-N 434.482 1.726 0 40 IDAB C[C@H](Cc1ncc[nH]1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 95450376 SKFMXSZLYVYIPB-CQSZACIVSA-N 426.926 1.544 0 40 IDAB Cc1cc(C)n(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3F)CC2)n1 98211130 MFNNXJUWOBRXCF-UHFFFAOYSA-N 446.508 1.572 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cc(F)ccc3F)C2=O)cc1OC 101169982 SIDFERKYXAITDQ-MSOLQXFVSA-N 445.382 1.914 0 40 IDAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222816642 GUVICYNDBREBFZ-CQSZACIVSA-N 433.958 1.101 0 40 IDAB Cc1ccccc1-c1cccc(C[C@@H]2C(=O)N(C)CCN2C(=O)[C@H]2CCC(=O)NC(=O)N2)c1 257219372 DGOFRBJUXFHWRD-NHCUHLMSSA-N 448.523 1.862 0 40 IDAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Br)cc1 408652312 CFRLCQJMWBHPPV-BNBDDXAPSA-N 435.274 1.962 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(c5nccc(C(F)(F)F)n5)C[C@H]4C3)ncnc21 1888913562 IJGBBHMHWZEWFL-CHWSQXEVSA-N 434.426 1.854 0 40 IDAB CCCCN1C(=O)NC(=O)/C(=C(\C)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O 4313024 QTRDZROVMFGFMI-GFWHJHDHSA-N 426.473 1.994 0 40 IDAB COc1ccc(NC(=O)[C@@H](c2ccc(OC)cc2)N(C)C(=O)C[C@H]2NC(=O)NC2=O)cc1 8690844 GRYCXMKNKLYEBT-IEBWSBKVSA-N 440.456 1.440 0 40 IDAB COc1ccc(OC)c(-n2c(C)cn3c4c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c4nc23)c1 9713116 YOZMZKIKXZESQH-GFCCVEGCSA-N 425.445 1.614 0 40 IDAB CS(=O)(=O)Nc1cccc(CNC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 10356363 IPGKBLCDCSOXQG-UHFFFAOYSA-N 430.408 1.913 0 40 IDAB Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(c4ccc(F)cc4)CC3)=C2)cnn1C 12088793 PCLMQUSDDIKVBM-UHFFFAOYSA-N 446.508 1.080 0 40 IDAB Cn1ncc(Cl)c1[C@H]1CCCCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 12159837 CXOMTFZAKHJBGB-OAHLLOKOSA-N 437.909 1.909 0 40 IDAB NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2)c1N 12466996 HVYPPGWKMRLAPW-UHFFFAOYSA-N 427.461 1.927 0 40 IDAB CCOC(=O)Cn1nnnc1[C@H](CC)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 13496004 VPPFJXSDMBHYPS-IBGZPJMESA-N 442.520 1.722 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1 15406861 NDUZMBZZKSDPLO-HNNXBMFYSA-N 443.591 1.245 0 40 IDAB Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 17135840 QZNHGDFJFDXCQQ-UHFFFAOYSA-N 439.537 1.977 0 40 IDAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NCCN3CCCC3)CC1)NC2=O 19219587 AIUODJDXHFRTNV-HXOBKFHXSA-N 427.549 1.460 0 40 IDAB O=C(c1cccnc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)[nH]c2=O)C1 19337768 KWNIJNJXZWSJCI-RTBURBONSA-N 437.500 1.596 0 40 IDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 19375701 DLLOOBMQUPGKHR-JOCHJYFZSA-N 443.525 1.969 0 40 IDAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@H](C)Cn3ccc(C)n3)[nH]c2=O)C1 19499097 DTXAHYWDLINNFQ-BEFAXECRSA-N 440.548 1.959 0 40 IDAB COC(=O)c1c(NC(=O)CN2CCN(Cc3cccc(F)c3)CC2)sc(C(N)=O)c1C 19647267 ZBACWXNKIJXXFO-UHFFFAOYSA-N 448.520 1.837 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)COc3ccccc3F)C1)C2=O 19700760 DPUXVZFUAAZJSV-INIZCTEOSA-N 432.496 1.602 0 40 IDAB CCOC(=O)N1CCN([C@H](c2ccncc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697906 VSLNETHEUOWTRT-HXUWFJFHSA-N 430.505 1.767 0 40 IDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc2c(c1)CCC(=O)N2 25588092 AKWSMQDRQSTDII-UHFFFAOYSA-N 436.468 1.862 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cn2cc(Br)ccc2=O)c1 30042173 ZEMBBWIENVDWBG-UHFFFAOYSA-N 442.335 1.322 0 40 IDAB O=C(NCc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 31780041 RVAJZDXDFDXBEO-UHFFFAOYSA-N 443.525 1.764 0 40 IDAB O=C(CSC(=S)N1CCCC1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 32740771 RBLBFVHCGXJFDS-UHFFFAOYSA-N 449.570 1.912 0 40 IDAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 32784384 VHVZENUDBPNIMJ-YLJYHZDGSA-N 443.500 1.951 0 40 IDAB CCS(=O)(=O)N1CCC(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)CC1 32907606 JHRWOVODOVHSSL-KRWDZBQOSA-N 431.505 1.650 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2SC)c1=O 32958180 MAWJSPLOKIXSPP-UHFFFAOYSA-N 447.561 1.590 0 40 IDAB COCCc1noc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c2)n1 49007572 BUWKQFOZWJVAOY-UHFFFAOYSA-N 441.463 1.575 0 40 IDAB COCCN(C(=O)CNc1ccc(C)c(Cl)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 57562959 ZTUYXBBPMWXNMC-UHFFFAOYSA-N 437.928 1.828 0 40 IDAB CC(C)(C)c1nccc(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)n1 78968241 FRAJFMOXXKEXJP-UHFFFAOYSA-N 446.577 1.517 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)Cc2ccccc2)sc2cc(S(N)(=O)=O)ccc21 100877705 SRRGXOXIXAXGQF-VZCXRCSSSA-N 433.511 1.583 0 40 IDAB C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccco5)[C@H]34)[C@@H]2C1=O 101261720 KZQAKQMIKBMOJN-JCJYEAITSA-N 446.506 1.976 0 40 IDAB O=C1CCCN1CCCOc1ccc(CNC[C@@]2(O)CCCN(c3cnccn3)C2)cc1 257263078 LOHUWLOHJXTQLO-DEOSSOPVSA-N 439.560 1.989 0 40 IDAB CN1C[C@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)Cc3ccco3)CC2)C1 306133020 LZDBRPCGOBECDR-HXUWFJFHSA-N 429.492 1.969 0 40 IDAB CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)CN(C(=O)c3ccccc3)CC2)C1 306142718 XHGRKIOOHQBZEW-XMMPIXPASA-N 435.528 1.907 0 40 IDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C(=O)OCC)CC2)c(Cl)c1 408554558 BZPWOVIBDMXPFK-UHFFFAOYSA-N 447.941 1.708 0 40 IDAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCC(C(N)=O)CC2)cc1 409004980 GSBJGYOHGCJSRN-UHFFFAOYSA-N 443.569 1.952 0 40 IDAB NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)Cn3c(=O)nc(O)c4ccccc43)c2)C1 518658731 BWWXOWBSEBCEJC-GOSISDBHSA-N 449.511 1.116 0 40 IDAB COC1(C)CCN(C(=O)[C@H]2C[C@@]3(CO2)CN(Cc2ncc(C(F)(F)F)[nH]2)CCO3)CC1 585102207 PGWURQSYVBOBRT-KUHUBIRLSA-N 446.470 1.816 0 40 IDAB COc1cc(CN(C)C[C@]2(O)CCCN(c3ncccn3)C2)ccc1OCCN(C)C 585271989 HXHGPOYEEZGKRT-HSZRJFAPSA-N 429.565 1.889 0 40 IDAB COc1ccc(C(=O)NCc2c3c(c(OC)c4c2OCO4)C(=O)N(C)CC3)cc1OC 604405408 SBSXUBBKXSVAQY-UHFFFAOYSA-N 428.441 1.999 0 40 IDAB biogenic COCCO[C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1 1639401296 HTWXATCTIYSIIV-HNNXBMFYSA-N 432.564 1.161 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1ccccc1 3413277 WMPNTWUUSDQQLV-FQEVSTJZSA-N 448.497 1.943 0 40 IDAB COC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(Br)cc3Br)C(=O)[C@@H]12 8416450 FPPTVAKOAVFKQV-BDAKNGLRSA-N 431.040 1.202 0 40 IDAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O)c1cccs1 8704903 RYDFSALPXCGJDA-BUXKBTBVSA-N 425.474 1.368 0 40 IDAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)cc1 9001391 GNJLLWQRFBGCPC-UHFFFAOYSA-N 444.451 1.599 0 40 IDAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 9218616 VDQNPPUIUSARPH-BFUOFWGJSA-N 439.921 1.285 0 40 IDAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9225706 GGMADMYNCDPDEH-UHFFFAOYSA-N 433.511 1.723 0 40 IDAB Cc1cc(=O)c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)nn1-c1ccccc1 9494913 SPKHWPQDCBBZBI-UHFFFAOYSA-N 444.538 1.749 0 40 IDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1=O 12005936 NCBHMOLUDOKEAG-CQSZACIVSA-N 431.470 1.190 0 40 IDAB COC(=O)c1ccc2c(=O)n(CC(=O)N3CCN(c4ccccn4)CC3)c(S)nc2c1 12415786 RFJJHDKQKJBVFR-UHFFFAOYSA-N 439.497 1.216 0 40 IDAB Cc1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1S(=O)(=O)N1CCCCC1 12566474 HLHMFYGAGQXFHT-UHFFFAOYSA-N 437.547 1.566 0 40 IDAB O=C(COC(=O)CCCOc1cccc(Br)c1)N[C@@H]1CCS(=O)(=O)C1 12858519 DREHISOCYHHJJM-CYBMUJFWSA-N 434.308 1.455 0 40 IDAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1sccc1C(N)=O 12898539 HUICZQNJIVVVSQ-SNVBAGLBSA-N 437.499 1.472 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2COc3ccccc3O2)cc1 12941403 GIBCDUQRJRUDQA-INIZCTEOSA-N 433.486 1.270 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)NC(=O)N[C@H]1C 13008899 NEXDYJDPQMIRDL-ZDUSSCGKSA-N 431.489 1.776 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 13714645 AQXUFHASMOXJKK-UHFFFAOYSA-N 431.514 1.591 0 40 IDAB COc1ccc(Br)cc1CN(C)C(=O)CCC(=O)N1CCN(C(C)=O)CC1 14121455 WVWPCEVDMOQFIG-UHFFFAOYSA-N 440.338 1.887 0 40 IDAB COc1ccc(NC(=O)c2cccc(OC)c2OC)cc1S(=O)(=O)N1CCOCC1 14578762 JKWIYNWGYQCJHM-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB COc1cc(NC(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)cc(OC)c1OC 14813279 IKVLVTQWYIUBPV-UHFFFAOYSA-N 441.492 1.150 0 40 IDAB CC(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)Cc3ccc4c(c3)OCCO4)nc2C1 19019018 LZQKGTGWOSCVBD-SFHVURJKSA-N 438.484 1.764 0 40 IDAB Cc1cccc(-c2ccc(C[C@H]3CN(C(=O)CN4CC(=O)NC4=O)CCNC3=O)cc2)c1 19235405 DAEIVLLGYPBSAF-FQEVSTJZSA-N 434.496 1.331 0 40 IDAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CCO1 19697782 MJUKELTXEDEATQ-CQSZACIVSA-N 444.513 1.491 0 40 IDAB Cc1nn(CC(C)C)cc1S(=O)(=O)N(C)Cc1ccc([C@H]2CN(C)C[C@@H]2C(N)=O)cc1 19698771 QMZCVQHMAQWVDQ-UXHICEINSA-N 447.605 1.799 0 40 IDAB Cc1nc([C@H]2CCCN2C(=O)Cn2cnc3ccccc32)ncc1C(=O)N1CCOCC1 19755760 RNMBJDPPNGUAPU-HXUWFJFHSA-N 434.500 1.971 0 40 IDAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)N1CCN(C)CC1 19831911 FASMTHBRQCSWKX-UHFFFAOYSA-N 432.550 1.103 0 40 IDAB Cn1c(=O)n(C)c2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)ccc21 21524866 KKJUSNMEJWPXKF-ZDUSSCGKSA-N 434.543 1.978 0 40 IDAB C[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22335808 MGCWSQAJHBDRBW-ZDUSSCGKSA-N 428.507 1.873 0 40 IDAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 23701229 YSIGIDIHYGZCDK-UHFFFAOYSA-N 431.880 1.790 0 40 IDAB CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 33325689 ZMQYQNBLKOPMEE-LJQANCHMSA-N 444.557 1.831 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 35374681 OJBPQRSSQGMMPR-VBXZMTOYSA-N 437.471 1.744 0 40 IDAB O=C(NCc1ccccn1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36352655 AUACCLJXWCRARG-INIZCTEOSA-N 428.514 1.535 0 40 IDAB CN(C(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)[C@H]1CCS(=O)(=O)C1 44892459 SDJLATXYDAUTBL-AWEZNQCLSA-N 440.319 1.318 0 40 IDAB COc1ccccc1OCCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 44916578 MBXOROLZLRTGAZ-UHFFFAOYSA-N 433.486 1.369 0 40 IDAB COCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 57773617 KMWATVARLMQEMD-LEWJYISDSA-N 425.529 1.712 0 40 IDAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(N)=O)C1=O 57996329 HXNWWGKWHGSDEI-NLFFAJNJSA-N 444.491 1.820 0 40 IDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 58298021 PFTVSYYEWFERJI-KBPBESRZSA-N 426.395 1.473 0 40 IDAB O=C(C[C@H](CN1CCN(c2ccccn2)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 61721725 PKYPCWNBUAQACD-MRXNPFEDSA-N 426.473 1.704 0 40 IDAB COc1ccc(N2C(=O)CN(Cc3ccc(OC)c(OC)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 63376381 MAOYCCSILAQNLG-RTBURBONSA-N 446.525 1.727 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@](C)(O)c3ccc(F)cc3F)C2=O)cc1 72285035 IYXUVHXMHFKKKJ-FCHUYYIVSA-N 447.438 1.764 0 40 IDAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC[C@H](CO)Cc1ccc(F)cc1 78994314 JGSYPWHBHZOAAS-MRXNPFEDSA-N 427.480 1.484 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)C(=O)NC3CCCC3)C2)cc1 80358330 KHJORIAWKDCXIB-CVEARBPZSA-N 437.562 1.659 0 40 IDAB Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)O[C@@H]2[C@H]2OC(=O)C(=O)[C@H]2C(=O)c2ccc(C)cc2)cc1 104247111 AQMIFMWHYUMHMK-DJDZNOHASA-N 434.400 1.590 0 40 IDAB C[C@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)C[C@H]3C(=O)Nc2ccc3c(c2)OCO3)C1 139080432 LMHXCPTYPCMWEG-WCQYABFASA-N 425.445 1.799 0 40 IDAB CCSc1nnc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 224555359 XOAKUNIXMORPIT-UHFFFAOYSA-N 430.533 1.826 0 40 IDAB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 226649525 SCTSXRAQMFCZOR-ACTFIFLWSA-N 443.408 1.129 0 40 IDAB NC(=O)COc1ccc(S(=O)(=O)NCC2CCN(C3CCSCC3)CC2)cc1 244969190 HDCXYPRSNDXCOV-UHFFFAOYSA-N 427.592 1.437 0 40 IDAB CS(=O)(=O)Nc1cccc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c(O)nc(O)nc2O3)c1 257213926 CJSYNHSEGHDDKS-VLIAUNLRSA-N 448.501 1.868 0 40 IDAB CN1CCN([C@H]2CC[C@](CNC(=O)c3nccn3C)(c3ccccc3)CC[C@@H]2O)CC1 257228685 FUVRWMWFAONQJE-HFMPRLQTSA-N 425.577 1.639 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl 408555425 XACULBICQIFTOS-SNVBAGLBSA-N 447.922 1.302 0 40 IDAB COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 408712959 DJQQIKPMPMRRPK-UHFFFAOYSA-N 425.894 1.854 0 40 IDAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)N[C@H]1CCS(=O)(=O)C1 524734623 WOULUQYUSHSAAF-VBKZILBWSA-N 439.493 1.495 0 40 IDAB COc1cnccc1C(=O)NC[C@H]1Cc2c(nn(C)c2C(=O)NCc2ccccc2)CO1 1565555627 FARNDZNQTOJJBH-MRXNPFEDSA-N 435.484 1.625 0 40 IDAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2N)cc1 2387064 ANGLPBCGOYVHNC-UHFFFAOYSA-N 434.503 1.046 0 40 IDAB O=C(Nc1ccccc1O)C1CCN(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)CC1 8752525 OOBNYSRSJNVAHL-QGZVFWFLSA-N 435.546 1.221 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)c1 9403915 YIHVIBWEYLFPGL-UHFFFAOYSA-N 442.588 1.113 0 40 IDAB O=C(NCCc1nnc2ccc(SCC(=O)N3CCOCC3)nn12)c1ccccc1 9578279 HKBHUJCRBPIUSL-UHFFFAOYSA-N 426.502 1.048 0 40 IDAB COCCn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1)c(=O)n2Cc1ccccc1 9631971 DNVJMJBLQIQZBY-UHFFFAOYSA-N 433.468 1.693 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n(C)c1=O 9731570 DIAGBKWDEHRYES-UHFFFAOYSA-N 425.445 1.504 0 40 IDAB CCc1nn(C)c(C(=O)N2C[C@H](C(=O)N(C)C)[C@]3(COc4ccccc4C(=O)N3)C2)c1C 12123970 GKVSGNUUFDHPBU-WAIKUNEKSA-N 439.516 1.012 0 40 IDAB O=C(OCC(=O)N1CCCC1)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 12623615 JUKWPZRBCWOZTP-UHFFFAOYSA-N 446.481 1.673 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 12972995 HGBQMYPTDYXINH-UTKZUKDTSA-N 433.530 1.108 0 40 IDAB CC(C)(CNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)N1CCOCC1 12976456 UOHJFAPZXXVQPN-XMMPIXPASA-N 438.528 1.834 0 40 IDAB CS(=O)(=O)c1ccc(NC(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)o2)cc1 12987103 RWLKARAWVKWAGU-SNVBAGLBSA-N 431.517 1.106 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCc2ccccc21 13117674 XJKQAQSWODOMCE-UHFFFAOYSA-N 443.525 1.353 0 40 IDAB COc1ccccc1CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1 13371836 AAYBJZYWASSEAW-HKUYNNGSSA-N 427.519 1.872 0 40 IDAB O=S(=O)(c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)N1CCCC1 13496920 PFEFYCHIFIBGIY-UHFFFAOYSA-N 449.598 1.978 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccccc2F)cc1 13856374 PYUNUBSXUCCOOU-UHFFFAOYSA-N 435.521 1.778 0 40 IDAB O=C(COc1ccccc1Cc1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14083661 LYZAHBQCBLMIOJ-OAQYLSRUSA-N 428.554 1.988 0 40 IDAB COC(=O)[C@@H](CCSC)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 16030073 PLROOIZZXLNFSK-SJORKVTESA-N 434.518 1.658 0 40 IDAB biogenic CC(C)N(C(=O)Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21)c1ccccc1 18999166 VTURWTGDBAAUGE-UHFFFAOYSA-N 434.294 1.638 0 40 IDAB CN(C(=O)CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2)[C@H]1CCS(=O)(=O)C1 19585855 NKCUUUWVXCINET-BTYIYWSLSA-N 434.514 1.049 0 40 IDAB O=C([C@@H]1CCCO1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699877 KPRUKWZIOZFJHS-PMACEKPBSA-N 440.544 1.743 0 40 IDAB CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)COCCN2CCCC2=O)C1 19702295 GNHAUBLZXTXUDV-CQSZACIVSA-N 430.530 1.611 0 40 IDAB CC[C@@H](C)NC(=O)CSc1nnc(CN(c2ccc(F)cc2)S(C)(=O)=O)n1C 20416355 WPUZLUFLPNGWFB-GFCCVEGCSA-N 429.543 1.927 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C)Cc4ccccc4C(=O)O3)CC2)cc1 23053436 HSBSAWJASSSERF-QFIPXVFZSA-N 444.509 1.700 0 40 IDAB Cc1ccc([C@@H](CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)N2CCOCC2)o1 25399433 RNLPYISTLUMYIW-MRXNPFEDSA-N 441.575 1.545 0 40 IDAB O=C(Nc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 32819022 GNKITGNXCQPSKW-UHFFFAOYSA-N 425.869 1.951 0 40 IDAB Cc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)NC4CC4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 33939994 PMOHSBMXAZPEMG-WGMIXOHXSA-N 449.551 1.983 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cc3c(OC)cc(OC)cc3n2C)CC1 35686268 DAWYFDULTRLSJV-CQSZACIVSA-N 446.504 1.615 0 40 IDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 40040147 MPWBSQYKPKEKNB-CHWSQXEVSA-N 445.925 1.518 0 40 IDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)c(OC)c1 40284027 VYYZAMYHUHPMEK-INIZCTEOSA-N 438.550 1.164 0 40 IDAB COc1cccc(CNC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)c1 49409176 DAIFOOQYHHMRGE-UHFFFAOYSA-N 433.530 1.594 0 40 IDAB COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 56997885 RNYIBLSGZRXJFU-UHFFFAOYSA-N 440.500 1.343 0 40 IDAB CC(C)[C@@H](C(=O)N[C@H](C)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1)c1ccccc1 57775030 CQCLXYLNEFWXNF-YVWKXTFCSA-N 436.574 1.783 0 40 IDAB CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@@H](c3cccc(Cl)c3)NC(=O)N2)CC1 67285591 YQWBAWZGHKOKSE-QGZVFWFLSA-N 436.896 1.895 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3c[nH]c(=O)cc3C)CC2=O)cc1 79015499 YKOUJZNJHZVWBZ-HNNXBMFYSA-N 446.529 1.705 0 40 IDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 84466175 LZBMBVHWTTYJOZ-HDICACEKSA-N 433.530 1.085 0 40 IDAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCCCN1CCS(=O)(=O)CC1 95463133 QKLFGXKGUJWHTC-NRFANRHFSA-N 443.569 1.785 0 40 IDAB Cc1ccc(CNC(=O)c2ccc3nnc([C@H]4CN(c5ncccn5)CCN4C)n3c2)o1 96156701 LRUXOJDUSNIONE-GOSISDBHSA-N 432.488 1.844 0 40 IDAB CNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)[C@H]13 100456211 BHFZYJRIBUYLBS-CDNTWCJUSA-N 429.542 1.594 0 40 IDAB CCCn1c(C(=O)N2CC[C@H](Oc3cc(C)oc(=O)c3)C2)cc2c(=O)n(C)c(=O)n(C)c21 206965460 WRMYWAKKCZWOKE-AWEZNQCLSA-N 442.472 1.004 0 40 IDAB C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccccc1 222776156 CAADLHHYIQRGPV-FQEVSTJZSA-N 425.529 1.931 0 40 IDAB CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 245229703 DMQBJQRBCCUDSL-BFRWAMQBSA-N 442.512 1.617 0 40 IDAB O=C(O)[C@@H]1CC(c2ccc(F)cc2)=NN1/C=c1\sc2nc(-c3ccncc3)nn2c1=O 256028190 YCGSSCUNJKSZNH-HEUOVEHFSA-N 436.428 1.372 0 40 IDAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(S(=O)(=O)c1ccccc1OC)CC2 257312006 ULZQOUJSOWZFAX-HNNXBMFYSA-N 445.545 1.610 0 40 IDAB CCOC(=O)N1CCC(O)(CNC[C@@]2(O)CCN(c3ccnc4cccnc34)C2)CC1 585282815 IABIGAPBNUBBMY-QFIPXVFZSA-N 429.521 1.144 0 40 IDAB O=C(NCc1nnnn1-c1ccccc1)N(CCCN1CCOCC1)Cc1ccncc1 603601526 BWILZQPFWCCWOD-UHFFFAOYSA-N 436.520 1.491 0 40 IDAB CO[C@H]1CN(C(C)=O)CCCN(Cc2ccc(Cl)cc2)CCCCOC[C@H](O)[C@@H]1O 643584525 CKISKPOOVSGVKC-FKBYEOEOSA-N 442.984 1.928 0 40 IDAB CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1 1136920357 QBPMPJMGTHVQDQ-VQTJNVASSA-N 438.484 1.229 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)N3[C@H]4CC[C@H]3CC3(C4)CN(C)C(=O)[C@@H](C)O3)ccc21 1888979652 NKNJZIVTXVJQPG-JLSDUUJJSA-N 447.557 1.527 0 40 IDAB C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)N(c1ccccc1)S(C)(=O)=O 640228 NASFEZHWBGURKL-INIZCTEOSA-N 431.514 1.952 0 40 IDAB Cc1ccc(Cn2c(SCC(=O)NC3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 930488 WPMLCTFYFIHJAE-UHFFFAOYSA-N 441.557 1.941 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2C(=O)CCC2=O)cc1 937633 NMDIKCGAKJQDHO-UHFFFAOYSA-N 443.481 1.613 0 40 IDAB COc1ccc(C(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c(O)c1 7778942 WMLJFXGZJPOSCS-HNNXBMFYSA-N 425.503 1.906 0 40 IDAB Cc1c(C)n2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc2n1CCO 8706361 OQXWMDXQSUZJRM-UHFFFAOYSA-N 446.305 1.569 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](CO)C(C)C 8790116 GOIWTMSFBJMTAQ-WNQRMCIFSA-N 433.574 1.920 0 40 IDAB biogenic O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1ccccn1 9060971 QGKMFPNKXSUSQB-QGZVFWFLSA-N 430.530 1.305 0 40 IDAB COc1ccccc1N1CCN2c3ccc(N)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 9450848 GMIMSPQFKIRMHR-HXUWFJFHSA-N 449.511 1.566 0 40 IDAB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccn2)CC1 9907236 XGAXEIOJDXTGGW-UHFFFAOYSA-N 441.507 1.235 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 11858354 LZOOLIOROLDZFG-UHFFFAOYSA-N 438.483 1.765 0 40 IDAB COc1ccc(S(=O)(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1NC(C)=O 14101714 NIGXRMCNMFHIBU-UHFFFAOYSA-N 441.531 1.382 0 40 IDAB Cc1cccc(C(=O)NCCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 14244527 RQEMJVWNKZHWSW-UHFFFAOYSA-N 435.484 1.258 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19583686 CWSWFASBIYLQQO-SFHVURJKSA-N 434.566 1.679 0 40 IDAB Cn1c(=O)c2c(nc3n(CCN4CCOCC4)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 20392957 BIDXPCJHKYXMAP-UHFFFAOYSA-N 442.907 1.339 0 40 IDAB COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)[C@@H]2COc3ccccc3O2)CC1=O 20744715 KPPBOEUHMYQDKK-YWZLYKJASA-N 439.468 1.121 0 40 IDAB COc1cc([C@@H](c2sc3ncnn3c2O)N2CCC(C(N)=O)CC2)cc(OC)c1OC 22609975 IVFCISINEOTHNH-HNNXBMFYSA-N 447.517 1.809 0 40 IDAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23701874 YVDPVLSKRMMAKO-KZSQQDEKSA-N 440.949 1.846 0 40 IDAB O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24987908 SGVGFHVWWJFVDV-NRFANRHFSA-N 447.601 1.165 0 40 IDAB O=CN1CCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)CC1 26113835 WMUOYVICQOGENZ-LJQANCHMSA-N 449.916 1.597 0 40 IDAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)O 35396144 HXYVBSCYNUKBNO-OQLLNIDSSA-N 436.442 1.054 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 40059639 IHKXHLZWHVOACC-UHFFFAOYSA-N 439.299 1.596 0 40 IDAB O=C(Nc1ccccn1)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 40145813 IAWGMZOJKFWOTL-UHFFFAOYSA-N 448.501 1.186 0 40 IDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1C 64889924 FRUKFFXTERUUMT-UHFFFAOYSA-N 429.498 1.781 0 40 IDAB CCn1cc(CN2CCc3nc(C4CCN(C(=O)[C@H]5CCCO5)CC4)[nH]c(=O)c3C2)cn1 72398937 IIIXNNHPGBRXSE-HXUWFJFHSA-N 440.548 1.430 0 40 IDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCC(N(C)CC(=O)NC(C)C)CC1 95432327 VHEHCBANRLLRRF-JOCHJYFZSA-N 428.577 1.970 0 40 IDAB C[C@@H](C(=O)NC1CC1)N1CCN([C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 97527155 PSJFWERFRDMJIM-FRBILKQBSA-N 445.608 1.454 0 40 IDAB O=C(O)C12C3(Cl)[C@]4(Cl)C5(Cl)C(O)(O)C(Cl)([C@@]14Cl)[C@]2(Cl)[C@]53Cl 104078521 XTWBNKWREPGTEI-RWGXGSSLSA-N 435.301 1.650 0 40 IDAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 225964544 BARNXGNWYNIQNH-UHFFFAOYSA-N 439.559 1.489 0 40 IDAB CCN(CC(=O)NCCSc1ncn[nH]1)S(=O)(=O)c1ccc(Br)cc1 226054317 MLXWTNXWJTYLTA-UHFFFAOYSA-N 448.368 1.486 0 40 IDAB CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)nc2)C1 257253588 JZMKDMLFGXMNSJ-ZPFZUWPUSA-N 425.529 1.810 0 40 IDAB Cc1nc(Nc2cccc([C@@H]3CN(S(=O)(=O)N4CCOCC4)CCO3)n2)sc1C 257276317 NTEGXGKAYUXEGS-INIZCTEOSA-N 439.563 1.849 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)CC1 408611391 WWPHYDYDILGCOD-MRXNPFEDSA-N 441.550 1.689 0 40 IDAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)CC1 585322566 SZGLEXIYVXNKKF-UHFFFAOYSA-N 439.559 1.221 0 40 IDAB CCc1nc(N2C[C@H]3CN(C(=O)Cn4c(=O)oc5ccccc54)C[C@H]3C2)nc(O)c1F 1888921940 GKNZXGOKRUPGJG-BETUJISGSA-N 427.436 1.386 0 40 IDAB CCOc1ccccc1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nnc(CC)n4n3)C[C@H]2C1 1888944384 YBOGPIITIGHEFG-HOTGVXAUSA-N 442.545 1.842 0 40 IDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 3307269 AKVJXFBFKQGEDN-MRXNPFEDSA-N 446.529 1.035 0 40 IDAB Cc1c(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(=O)n(-c2ccccc2)n1C 9442792 URQPAINUPBXUMX-DEOSSOPVSA-N 445.479 1.816 0 40 IDAB COc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1S(=O)(=O)N1CCOCC1 9662726 GDXJROXXLVZVFB-UHFFFAOYSA-N 437.474 1.068 0 40 IDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCS[C@H]2c2ccccc2F)c1 9671856 RRHPJQRYBBOQDY-SFHVURJKSA-N 425.507 1.512 0 40 IDAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O 11591226 BLPGBNKAKCRQNU-FQEVSTJZSA-N 427.438 1.061 0 40 IDAB C[C@@H](C(=O)NCCCN1CCCC1=O)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 12086362 VKRTZIBLCCPPAL-XDHUDOTRSA-N 441.528 1.920 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)cc2n1 12089389 ILMCGPIYEHNUKJ-FQEVSTJZSA-N 440.529 1.928 0 40 IDAB Cc1nc2sc3c(c2c2nn(CC(=O)N4CCNC(=O)C4(C)C)c(=O)n12)CC[C@@H](C)C3 12132352 WWEYHZZKDGBANB-LLVKDONJSA-N 442.545 1.276 0 40 IDAB CC(C)Oc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 12444738 GUWGSVLFNLMJSR-UHFFFAOYSA-N 432.546 1.751 0 40 IDAB Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)COc3ccccc3F)CC2)c1 12445087 WANPHFCMJPCVBJ-UHFFFAOYSA-N 435.521 1.781 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)n(C)c1 14249191 XHQJMGHLEJFSDH-UHFFFAOYSA-N 428.461 1.702 0 40 IDAB CCN(C(=O)COC(=O)c1c(NC(C)=O)sc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 16044791 XEKWIZHHCNZGPY-ZDUSSCGKSA-N 442.559 1.778 0 40 IDAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)cc2)cc1 16293355 WRGDDQVOFAFDQJ-UHFFFAOYSA-N 433.530 1.623 0 40 IDAB COc1ccc(N(C[C@@H](O)CN[C@@H](C)C(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1 16839611 XIJYLMXKGISIIK-BBRMVZONSA-N 442.921 1.968 0 40 IDAB CCN1CCN(C(=O)c2n[nH]c(=O)[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O 19527682 SOHSCEIULPWQJO-QGZVFWFLSA-N 449.511 1.937 0 40 IDAB CNC(=O)c1[nH]c(C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)nc1-c1ccc(OC)cc1 19698812 VKGZJLOJUDKTTM-MRXNPFEDSA-N 439.516 1.629 0 40 IDAB Cc1cccc(Cn2nnc(-c3nnc(SCC(N)=O)n3C[C@H]3CCCO3)c2N)c1 19897436 WIYHUCYQKURGME-CQSZACIVSA-N 428.522 1.232 0 40 IDAB CC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 21790381 IRWKGJXBSKZILV-GOSISDBHSA-N 430.482 1.960 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2C(=O)CCOc3ccccc32)C1=O 23948815 LCNYAYJCFRZLJH-QHCPKHFHSA-N 436.468 1.777 0 40 IDAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)NN1C(=O)N[C@](C)(CC)C1=O 24797706 ALOASQQGLANJDZ-LJQANCHMSA-N 443.426 1.506 0 40 IDAB O=C(NCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 31810335 WKZAQZJPVOSQLT-MRXNPFEDSA-N 425.464 1.039 0 40 IDAB Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 33935999 JESAKGFQNKXLOS-NJMAIJGVSA-N 434.489 1.835 0 40 IDAB O=C(OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 34290352 WTTRUBICDWFROZ-WSTZPKSXSA-N 436.420 1.907 0 40 IDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 57315538 QCEHNPABQYALKA-SFHVURJKSA-N 449.598 1.792 0 40 IDAB O=C1N[C@]2(COc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)NC[C@@H]1CCCO1 72334429 ZHMMOKRGUCBQTB-OWHZGTRUSA-N 435.524 1.975 0 40 IDAB CN1CCN(C[C@@H](O)CN(C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 95406736 TWYISXCDROWVAC-QUCCMNQESA-N 436.984 1.259 0 40 IDAB O=c1c(CN2CCOCC2)coc(O)c1CN1CCN(CCOc2ccccc2)CC1 101374499 KNVIWDXPLDGSGD-UHFFFAOYSA-N 429.517 1.374 0 40 IDAB O=S1(=O)CC[C@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(Br)s2)C1 103320881 DPHKWWOJLQPHRO-QWRGUYRKSA-N 444.394 1.867 0 40 IDAB O=C(NC1CC1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)[C@H](C(=O)NC3CCCC3)[C@@]23C=C[C@H]1O3 245230833 ZWWNKLNYFSHSJN-RCCCMVMJSA-N 435.524 1.675 0 40 IDAB CN1C(=O)N[C@@H](c2ccc(C(=O)NCCNC(=O)c3ccncc3)cc2)[C@@H]2CCCO[C@@H]21 257238452 HLANTZKSPMGCRK-IPJJNNNSSA-N 437.500 1.690 0 40 IDAB Cn1nc([C@@H]2CN(CC(=O)N3CCNC3=O)CCO2)cc1CCOc1ccccc1Cl 257297398 RHCOGCKBOJMNED-IBGZPJMESA-N 447.923 1.620 0 40 IDAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2)c1 408612008 XVZUYIKQQYVNLE-UHFFFAOYSA-N 447.513 1.599 0 40 IDAB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=c3/sc4n(c3=O)CCCN=4)o2)cc1C 409185537 MFLRYFGWSOWOSF-WOJGMQOQSA-N 438.509 1.227 0 40 IDAB COc1cc(CNC[C@]2(O)CCCN(c3cnccn3)C2)ccc1OCCCN(C)C 585272074 IVOMZVWHYHPIPU-HSZRJFAPSA-N 429.565 1.937 0 40 IDAB Cc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)Cc5cc(F)cc(F)c5)C[C@@H]4C3)nn12 1888916653 DLWROHOSYVUSFX-GJZGRUSLSA-N 434.472 1.609 0 40 IDAB Cc1cc(C)n(-c2cc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)nc(C)n2)n1 1889217643 APWWGTQRSFONDO-UHFFFAOYSA-N 437.529 1.859 0 40 IDAB O=C(NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1 3027762 ZKGZCIBJWSWYNI-INIZCTEOSA-N 429.926 1.252 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 8987096 AZDJELKMROKCFI-SFHVURJKSA-N 428.474 1.463 0 40 IDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 8987173 AJSNYQBPZNIBTO-QGZVFWFLSA-N 440.481 1.107 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 9068005 UJHQPUOKJJBPRP-INIZCTEOSA-N 429.454 1.371 0 40 IDAB CC(C)[C@@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc2ccccc2[nH]1 9644902 PUKFPTYNWSLBKQ-QGZVFWFLSA-N 437.504 1.604 0 40 IDAB COc1ccc(CN(C(=O)c2nn(C)c(=O)c3ccccc23)[C@H]2CCS(=O)(=O)C2)cc1 9666740 GHFVUSIVVWNLKN-INIZCTEOSA-N 441.509 1.772 0 40 IDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(F)c(F)c3)C(=O)[C@@H]21)Nc1ccc2c(c1)OCO2 9675202 GOEJWZSECZPHNV-IAGOWNOFSA-N 429.339 1.625 0 40 IDAB Cc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12 9713218 VLKSUSPIOYSUBW-UHFFFAOYSA-N 428.452 1.599 0 40 IDAB CC(C)NC(=O)Cn1nc2n(CC(=O)N[C@@H]3CCCC[C@H]3C)c3ccccc3n2c1=O 12117654 MQURFEIIALWQOC-HZPDHXFCSA-N 426.521 1.670 0 40 IDAB CCN1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 12997776 HVGXDBVRHSPWHM-LJQANCHMSA-N 448.633 1.424 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC 13680151 FWLHATZDWLJNIH-UHFFFAOYSA-N 436.442 1.429 0 40 IDAB CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)ccc12 15956469 JLARNNJLNBOOBC-OAQYLSRUSA-N 432.473 1.856 0 40 IDAB biogenic CC(C)CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 15971389 VPSKZLZZDXBAEK-QGZVFWFLSA-N 428.576 1.756 0 40 IDAB O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)ccc21 16963397 MASHOHMNEWRNPY-OAHLLOKOSA-N 445.518 1.856 0 40 IDAB CNC(=O)c1cnc([C@H]2CCN(C(=O)c3sc(N4CCOCC4)nc3C)C2)nc1C 19757493 QNNCQBSPZCYWAO-AWEZNQCLSA-N 430.534 1.376 0 40 IDAB Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@@H](O)COc2ccc3ccccc3c2)n(C)c1=O 23115289 OJEFOWWSWWHIGB-GOSISDBHSA-N 449.511 1.627 0 40 IDAB CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)NCc1ccc(C)cc1 35374219 SDJZRTMISREPJH-UHFFFAOYSA-N 435.484 1.954 0 40 IDAB CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(-c2ccc(C)cc2)n(C(C)C)c1=S 35590902 VNGSVSLXZFOYFJ-WAXPSYRMSA-N 436.534 1.087 0 40 IDAB CCOC(=O)C(NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C(=O)OCC 40069734 WGZITQPGYKMNOP-NSHDSACASA-N 441.278 1.413 0 40 IDAB COCCN1CC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)[C@@]2(CCN(C)C2=O)C1 96144272 KWLFSROAYQHECO-QFIPXVFZSA-N 435.590 1.576 0 40 IDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCCNC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)OC2=O 102811145 XGRKUKXYQLTUHB-MESAYYPLSA-N 434.533 1.853 0 40 IDAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 219267468 SOSDGQVQJOXJTH-PBHICJAKSA-N 425.551 1.932 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)s1 222837314 SQMGMRSTUBPLTD-VIFPVBQESA-N 448.523 1.736 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)c2ccccc2O1 226045046 YZSBBBOOPWAHBM-IBGZPJMESA-N 448.497 1.591 0 40 IDAB CCc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257306449 SUIGUPUWNKGPNP-DNVFCKCGSA-N 427.549 1.161 0 40 IDAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc(Br)cc1 408661783 OLKCFQQGIVSBOD-BHWMQLMCSA-N 433.258 1.738 0 40 IDAB COCCN1C(=O)S/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1=O 409215748 DYLDUYZORGYLIL-ATVHPVEESA-N 436.486 1.616 0 40 IDAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 409412753 OCQYMRDGXYHQQN-NEWSRXKRSA-N 438.528 1.860 0 40 IDAB O=S1(=O)CC[C@@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Br)cc2)C1 575424190 TUGUXSMDACLNKA-ZIAGYGMSSA-N 438.365 1.806 0 40 IDAB O=C(COc1ccc(CNC[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1)N1CCOCC1 585270434 JUODSHWQGKCMLX-HSZRJFAPSA-N 444.507 1.189 0 40 IDAB O=C1NC2(CCCC2)C(=O)N1CCN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 607732085 FEOUGDHYNQUCLJ-IBGZPJMESA-N 425.533 1.274 0 40 IDAB COCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 9288622 FBECKCDZEBGCPS-MRXNPFEDSA-N 431.514 1.993 0 40 IDAB COc1cccc(NC(=O)COc2ccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2)c1 9646171 ORCIAIWUVXIDKW-QGZVFWFLSA-N 432.498 1.972 0 40 IDAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(Cl)cc2)C1 10385485 IJFOBQWRHHJLIO-ZFWWWQNUSA-N 447.923 1.753 0 40 IDAB Cc1nc2cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)ccc2n1-c1ccccc1 10992730 IZIMNCGRLTVUOX-UHFFFAOYSA-N 447.451 1.353 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029408 BFDZDSPCWVUHCJ-INIZCTEOSA-N 437.495 1.306 0 40 IDAB CCn1cc([C@H]2C[C@H](C(=O)Nc3ccc(OC)c(OC)c3)N(C)S(=O)(=O)N2)c(C)n1 12130425 VUWHDQQDMDUAHG-HZPDHXFCSA-N 437.522 1.447 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)N1C[C@H](C)O[C@H](C)C1)c(=O)n2Cc1ccccc1 12532382 URWZBKXAXAMGTG-IYBDPMFKSA-N 425.489 1.064 0 40 IDAB Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 12764011 YAGKPCZIAONRLQ-GFCCVEGCSA-N 445.950 1.699 0 40 IDAB COC(=O)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)C(C)C 13624566 SOVAMZYDBNWLGE-WFASDCNBSA-N 440.547 1.406 0 40 IDAB CCCCCCNC(=O)CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13736252 QBDIOZKLLLIKQK-UHFFFAOYSA-N 439.520 1.995 0 40 IDAB COc1cc(/C=c2/sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)ccc1OC(C)=O 16734695 CXSCKIMBPWTPLV-UDWIEESQSA-N 449.488 1.892 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccccn3)CC2=O)cc1 17167792 VDLXPXWNEKDKAP-INIZCTEOSA-N 430.530 1.781 0 40 IDAB Cn1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccc(F)cc2)n1 19290991 MLFYLWOTTJPOFH-GOSISDBHSA-N 426.452 1.193 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CCOCC1)OCCO3 19292493 HMEGBNPJJXBZFW-HXUWFJFHSA-N 438.488 1.823 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccncc3)[nH]c2=O)C1 19520476 GKLNJUWRGOQITK-QGZVFWFLSA-N 431.518 1.240 0 40 IDAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)[C@H]2CCC(=O)N2)CCO1 19580564 WZQJORJTQNILHJ-BWKNWUBXSA-N 435.524 1.861 0 40 IDAB CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1 20504093 IHOHBVUZFGXZDD-UHFFFAOYSA-N 446.555 1.773 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)CC2=O)c1 20736864 LPLYALSWLNGKJM-HNNXBMFYSA-N 449.554 1.643 0 40 IDAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)Oc2ccccc21 22527529 ZSVNIPKPAWVVMA-IBGZPJMESA-N 445.497 1.325 0 40 IDAB CSc1nnnn1-c1cccc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 31916513 CZRYNDMUGPLKFI-UHFFFAOYSA-N 437.493 1.072 0 40 IDAB O=C1CN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c2ccccc2N1 34867466 GBGAUCVPPSWOEJ-UHFFFAOYSA-N 432.477 1.117 0 40 IDAB Cc1cc(N2CCN(CC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)nc(C(C)C)n1 35325414 RNFMZXGIDBFCLT-UHFFFAOYSA-N 443.552 1.316 0 40 IDAB O=C(CSc1nnnn1-c1cccc(Cl)c1)N1CCN(CC(=O)N2CCCC2)CC1 35362608 NCISZUVNLIIPGA-UHFFFAOYSA-N 449.968 1.174 0 40 IDAB CN(C)C(=O)CN1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3cc(Cl)ccc23)CC1 36358663 IZYNBOBEIYSICL-IBGZPJMESA-N 436.896 1.211 0 40 IDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 36708273 KFHXZSDAMDMXAI-UHFFFAOYSA-N 441.916 1.617 0 40 IDAB O=C(CCCNc1ncccn1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 40131466 MKCNJJFAYBRSHT-UHFFFAOYSA-N 425.461 1.480 0 40 IDAB NC(=O)C1CCN(c2nc3ncc4c(c3c(=O)[nH]2)C[C@H](c2ccccc2O)CC4=O)CC1 40372918 SKCUNGGUTNZIFB-ZDUSSCGKSA-N 433.468 1.638 0 40 IDAB CCc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4ncccn4)CC3)=C2C(=O)OC)cc1 57415297 GUKKYKDACGBZBW-FQEVSTJZSA-N 436.516 1.642 0 40 IDAB Cn1nc(C(=O)OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c2ccccc2c1=O 58157322 IODNJMIZQKGNAF-UHFFFAOYSA-N 436.468 1.561 0 40 IDAB COc1cc(CC(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)cc(OC)c1OC 58244628 BONPRKRAZHLGQB-UHFFFAOYSA-N 425.445 1.591 0 40 IDAB Cc1cc(C)nc(N2CCC(C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)CC2)n1 79491538 FZOVYNFACGRMCJ-KRWDZBQOSA-N 432.550 1.813 0 40 IDAB COc1ccc(CCNC(=O)CC[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 96222005 AOGNVPQRXVHREZ-SFHVURJKSA-N 439.468 1.983 0 40 IDAB biogenic CCOC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccn(CC)n3)c(=O)n12 105543453 ROQWYKIZHBRCMY-QXAAHVJJSA-N 438.509 1.466 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCc3ccccc3C2)cc1 224056156 QRVGJZDGTUWYLK-UHFFFAOYSA-N 431.558 1.880 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 224239028 RPSKRGVISDOJKL-UHFFFAOYSA-N 445.541 1.868 0 40 IDAB S=C(NC[C@H]1CCCO1)Nc1nc(Sc2ncccn2)cc(N2CCOCC2)n1 225907985 NRBWFOYXUZXGFY-CYBMUJFWSA-N 433.563 1.720 0 40 IDAB Cc1cn([C@@H]2CN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)CC[C@@]2(C)O)c(O)nc1=O 257202753 ANGNRKBYTRUWDV-IIBYNOLFSA-N 445.907 1.944 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3cc(-c4ccccc4F)no3)[C@H]2O)CC1 257315224 VAKYGSUIQFGACG-YFVAEKQCSA-N 430.480 1.657 0 40 IDAB CS(=O)(=O)N1CC[C@H](C(=O)NCc2nc(-c3ccccc3)no2)Oc2ccccc21 260511761 SFRVZDYPWDSUIO-QGZVFWFLSA-N 428.470 1.970 0 40 IDAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)CC1 408557903 PIXGKIBJXDPFLK-UHFFFAOYSA-N 429.542 1.981 0 40 IDAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1 524735486 FNGOLVYKXNBNOV-UHFFFAOYSA-N 444.542 1.359 0 40 IDAB Cn1ncc2c(N3CCN(C(=O)C(=O)NCc4ccc(C5CCC5)cc4)CC3)ncnc21 568800988 RYFJNJKXIYFRST-UHFFFAOYSA-N 433.516 1.596 0 40 IDAB NC(=O)C1CCN(C(=O)[C@@H]2CN(Cc3cccc(OCCO)c3)CC23CCOCC3)CC1 585101970 NQXLIVYDDMJADM-NRFANRHFSA-N 445.560 1.010 0 40 IDAB Cc1noc(C)c1C(=O)N1CCO[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 585107001 NONIVOJFEUNZHJ-WMZHIEFXSA-N 426.517 1.690 0 40 IDAB O[C@H]1CN(Cc2cccc(CN3CCOCC3)c2)C[C@@H]1N1CCN(c2ccccc2)CC1 585271739 HAQOABRVWHMTEB-UIOOFZCWSA-N 436.600 1.886 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)Cc2ccccc21 1556097294 JAFJYYMGKSGTBJ-UHFFFAOYSA-N 433.895 1.002 0 40 IDAB Cc1nc(O)[nH]c1C(=O)CCCCC(=O)N1CCC([C@@H]2NC(=O)N[C@H]3OCC[C@H]32)CC1 1848356261 NFIVRPSUYQGNJH-JVPBZIDWSA-N 433.509 1.449 0 40 IDAB COCCOC(=O)N[C@H]1CO[C@@]2(CCCN(Cc3ccnc(N4CCOCC4)c3)C2)C1 2056226265 OAJWGYPNJHEMCP-KNQAVFIVSA-N 434.537 1.414 0 40 IDAB COC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)cc1 932538 PJVDMBDYKGNGQW-UHFFFAOYSA-N 445.501 1.532 0 40 IDAB CCOc1ccc2[nH]c(=O)c(CN(CCO)Cc3nnnn3Cc3ccccc3)cc2c1 1326888 IUHADHKMQNXSDN-UHFFFAOYSA-N 434.500 1.956 0 40 IDAB C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)C1 6530685 XVGHTSDUGWIMLB-KBPBESRZSA-N 429.550 1.498 0 40 IDAB CCn1cc(C(=O)NN2CCCCC2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 9506933 HSZGMYKMTIGIIF-UHFFFAOYSA-N 443.523 1.960 0 40 IDAB COCCNC(=O)CSc1nc(-c2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 9517514 OGYKAUJUCBHGMI-UHFFFAOYSA-N 449.920 1.202 0 40 IDAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 9579963 QEBIXVNORCAZEO-XMMPIXPASA-N 444.495 1.746 0 40 IDAB COc1ccc(OC)c(NCCCn2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 10049552 WOEVAWYATVFLGL-UHFFFAOYSA-N 426.477 1.514 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OCC)c(C)c2)CC1 10301380 HXOCFUAJCZFAIM-UHFFFAOYSA-N 426.535 1.816 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccc(OC)cc1 10385670 RHYJTRBEXXBVFB-UXHICEINSA-N 437.500 1.619 0 40 IDAB CCOCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 12231898 GDLYDJOWUDIVMP-UHFFFAOYSA-N 440.479 1.923 0 40 IDAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12568179 DIKDCKTUVURFRU-UHFFFAOYSA-N 433.530 1.229 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)NCc1ccco1 13031675 SFTOFWBANQDZMS-UHFFFAOYSA-N 435.502 1.064 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(CN3C(=O)NC(CC)(CC)C3=O)CC2)cc1 13061685 WDFUVEUSTGHBDL-UHFFFAOYSA-N 438.550 1.460 0 40 IDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 13685217 RBRGELOMSOBQPN-ZACQAIPSSA-N 425.485 1.875 0 40 IDAB CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21 14242116 RVWOMTDPRBKNKK-AWEZNQCLSA-N 443.481 1.888 0 40 IDAB CC(C)C(=O)NC1CCN(C(=O)[C@@H]2[C@H](C(=O)N(C)C)[C@]2(C)C(=O)c2ccccc2N)CC1 19086175 VPEVFYGQUXQZPO-IMWIBFENSA-N 442.560 1.555 0 40 IDAB O=C(Cc1cccnc1)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 19338476 ZDZUZNSUJWTFCP-FQEVSTJZSA-N 437.475 1.783 0 40 IDAB O=C(Cn1nnc2ccccc21)N[C@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 19749621 GEFQDWBHPKKGFJ-SFHVURJKSA-N 441.513 1.256 0 40 IDAB COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCOCC2)cc1 19819940 HICSCMYMEIJYKH-LJQANCHMSA-N 434.514 1.818 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)CC1 22384237 IUFWFXAIMKWIMY-UHFFFAOYSA-N 427.523 1.541 0 40 IDAB CN(C)c1nc(N)nc(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)n1 22849618 BWHXPMJLPBWAAB-UHFFFAOYSA-N 429.916 1.541 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22917400 SGPHYXJGWJCKQB-UHFFFAOYSA-N 442.491 1.769 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccnc1N1CCCC1 23873398 HBXAPCCHVWWSHJ-UHFFFAOYSA-N 446.529 1.964 0 40 IDAB COc1cccc([C@@H](NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2nccn2C)c1 24019217 LQSXTNXCWSPRHO-HXUWFJFHSA-N 433.468 2.000 0 40 IDAB O=C(NCCC(=O)N1CCCC1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 32716767 XWFUNXDAGUDAAP-UHFFFAOYSA-N 445.497 1.958 0 40 IDAB CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 32741956 RSGWXXWKOUJXRU-UHFFFAOYSA-N 434.426 1.239 0 40 IDAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccccc1OCCN1CCCC1=O)CC(=O)N2 36358953 OMTUFGYEZHGQJY-INIZCTEOSA-N 448.483 1.739 0 40 IDAB O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 40154164 ZPNJBEBXZKQVHA-UHFFFAOYSA-N 448.520 1.973 0 40 IDAB CCOc1c(Cl)cc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 40161876 SDZSHERGVRNAJE-UHFFFAOYSA-N 436.852 1.351 0 40 IDAB O=C(Cn1cnc2nc(N3CCCC3)sc2c1=O)N1CCN(c2ccc(F)cc2)CC1 45970605 FFMCKKLZAXWLBU-UHFFFAOYSA-N 442.520 1.941 0 40 IDAB O=C(C[C@@H](CN1CCN(Cc2ccccn2)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 71279139 YXMCCJQAAGIHKE-KRWDZBQOSA-N 440.500 1.700 0 40 IDAB Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1)CC2 84286941 ZPFPBGQXNMGQOF-PBHICJAKSA-N 439.482 1.674 0 40 IDAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cc(OC)ccc2Br)CC1 96377016 WYMIFAAWKIGGGG-UHFFFAOYSA-N 433.324 1.223 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 105377552 DUCJOSYWMDPMOJ-XYCWUBKJSA-N 449.507 1.613 0 40 IDAB biogenic CCC(=O)Nc1nnc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)s1 224197047 GBWJVIANDIEHBX-UHFFFAOYSA-N 439.519 1.122 0 40 IDAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(CC(=O)Nc1ccccc1F)CC2 257270785 MVQGRENJGNYRPT-OAHLLOKOSA-N 426.496 1.990 0 40 IDAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C)C(=O)NCc2ccccc2)cc1 260714182 BCAHXHNIEHMKCN-QGZVFWFLSA-N 447.557 1.620 0 40 IDAB CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)n1 605705149 UZIYFTYFXOXGFI-GFCCVEGCSA-N 436.494 1.256 0 40 IDAB N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 4535889 RCMWNNJFKNDKQR-AABGKKOBSA-N 425.485 1.065 0 40 IDAB biogenic COc1cc(C(=O)OCC(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(F)cc1 8825487 XVDVQFCPSFPQON-UHFFFAOYSA-N 446.431 1.867 0 40 IDAB O=C([C@@H]1CCCN1C(=O)c1cccs1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9283085 MSKBVOIWUWCJQK-JYJNAYRXSA-N 426.560 1.547 0 40 IDAB CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9662662 SMWDBPKQNHBCGZ-HPCHECBXSA-N 433.301 1.047 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)[C@H]2CCCN2C(=O)c2cccs2)c(=O)[nH]c1=O 9960708 DHNWIMFFRCCOOM-CYBMUJFWSA-N 433.534 1.638 0 40 IDAB CN(C)CCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 10111465 XYSWJDNJYJCCFX-UHFFFAOYSA-N 433.530 1.721 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12 10282499 DCSHLHVOLJPTBE-OAHLLOKOSA-N 443.529 1.297 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142354 YJHJZRBMZTUNHS-UHFFFAOYSA-N 439.497 1.119 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N(Cc3ccco3)C(=O)c3cccnc3)ccc21 12293325 VGHMPVYOYLKSRP-UHFFFAOYSA-N 426.454 1.896 0 40 IDAB COc1ccc(OC)c(CNC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)c1 13012471 PHGCXRGCGPQCOE-UHFFFAOYSA-N 438.502 1.706 0 40 IDAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)C2=NNC(=O)CC2)CC1 13017703 NESPTXMPVOIPRO-UHFFFAOYSA-N 434.562 1.700 0 40 IDAB CN(Cc1ccccc1)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 13075376 YKHDLRZIWSJNCZ-UHFFFAOYSA-N 445.541 1.423 0 40 IDAB Cc1c(C(=O)O)sc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1C(=O)O 13121353 LERFSEZMWPPQTD-UHFFFAOYSA-N 438.483 1.600 0 40 IDAB Nc1c(Br)cc(S(=O)(=O)N(C[C@H]2CO2)C[C@@H]2CO2)cc1Br 13382315 WNHUKSCLSZCIGE-OCAPTIKFSA-N 442.129 1.582 0 40 IDAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(Br)o1 14372109 VOAVFOSFYVMPTE-UHFFFAOYSA-N 425.264 1.729 0 40 IDAB COc1ccc([C@H](CNC(=O)CCn2cnc3ccccc3c2=O)N2CCOCC2)cc1 14899904 KHYCOTZVQDYSRO-QFIPXVFZSA-N 436.512 1.985 0 40 IDAB O=C(O)c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 16449384 OCEIONHNTLUMPK-UHFFFAOYSA-N 434.455 1.776 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c(-c2cccnc2)n1 19290308 WRBILOIHTHDFOZ-UHFFFAOYSA-N 429.477 1.768 0 40 IDAB C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C[C@@H](C)O1 20533326 KKAINDYLNWPYSC-ZIAGYGMSSA-N 431.924 1.745 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1 22380054 ZTTUSVQELROJJE-UHFFFAOYSA-N 445.950 1.995 0 40 IDAB COc1ccc(OC)c([C@@H](c2sc3nc(C)nn3c2O)N2CCN(CCO)CC2)c1 22626942 KKYYIUUEVPERIS-KRWDZBQOSA-N 433.534 1.521 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(NCC(=O)Nc3ccc(F)c(F)c3)nc2)CC1 23818399 NSJDTFAKSLUFBS-UHFFFAOYSA-N 425.461 1.347 0 40 IDAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 31593767 OVUFJGIUGMITOM-WMZOPIPTSA-N 446.529 1.538 0 40 IDAB COCCNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O 32947211 MNIGJNSTRNCJID-SNVBAGLBSA-N 430.324 1.395 0 40 IDAB COc1ccc(OC)c(/C=C2\SC(=O)N(CCC(=O)N[C@@H]3CSC[C@@H]3O)C2=O)c1 54361021 KIWVNOHTHHVOLH-VKQKDJGISA-N 438.527 1.723 0 40 IDAB COc1cccc(CNC(=O)CSc2cc(-n3ccc(C(=O)NC4CC4)n3)ncn2)c1 57520277 MOTSXFZKYAZIHY-UHFFFAOYSA-N 438.513 1.972 0 40 IDAB Cc1ccc2cc(C)c3nn(CCNC(=O)Cc4ccc(-n5cnnn5)cc4)c(=O)n3c2c1 57740193 LODRYTKLOXPIIM-UHFFFAOYSA-N 442.483 1.601 0 40 IDAB C[C@@H](C(=O)N1CCN(C)CC1)N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326597 XABJNAFGVJLLLN-QKKBWIMNSA-N 433.940 1.367 0 40 IDAB COC(=O)Cc1csc(N(C)C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)n1 78813215 JWJOTRQMLSEXPM-CQSZACIVSA-N 443.481 1.910 0 40 IDAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCC[C@H](c3nc[nH]n3)C2)c1 79017674 SNJJIYTYSORPEH-UZYOAWRESA-N 436.490 1.576 0 40 IDAB CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 257210991 BXABKAUUHXWURO-UHFFFAOYSA-N 438.527 1.041 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)co1 534741366 VCYFOUGTHRQBOP-AWEZNQCLSA-N 431.392 1.520 0 40 IDAB COc1cc(CNC[C@@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OCCCN(C)C 585270661 ALYBLGBFJZTLPF-QHCPKHFHSA-N 429.565 1.855 0 40 IDAB C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2ccnn2C)CC(=O)N1 643559369 SVPSTPNTBOMLCM-AWEZNQCLSA-N 447.923 1.623 0 40 IDAB CCOCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1503179008 SOBVUMZNMYVUBV-GOSISDBHSA-N 442.520 1.853 0 40 IDAB O=C(CN1CCN(c2nc(O)cc(C(F)F)n2)CC1)N1CCN(c2ccccc2)CC1 2086865033 CDQVJZDIJKOBCR-UHFFFAOYSA-N 432.475 1.591 0 40 IDAB O=C(c1ccccc1OC(F)F)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243201 QZWJLRHAHMFMAY-ZDUSSCGKSA-N 427.429 1.193 0 40 IDAB Cc1nnc(SCCn2c(N3C[C@@H](C)C[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1 1899369 QHVSFWPACQAEFF-QWRGUYRKSA-N 435.579 1.858 0 40 IDAB O=c1[nH]c2ccc(NC(=S)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2[nH]1 2629378 QISGKSXSCRYXLA-UHFFFAOYSA-N 433.515 1.686 0 40 IDAB Cc1nn([C@H](C)C(=O)Nc2cnn(C)c2C(=O)NCc2cnn(C)c2)cc1Br 2804672 IFDHWCZINCIXFC-LLVKDONJSA-N 449.313 1.551 0 40 IDAB CCc1ccc(I)c(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O 3598303 DVBXFRSRFUTZTN-UHFFFAOYSA-N 448.257 1.826 0 40 IDAB in-man CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 4195233 LXRUIXXRKYDWQC-UHFFFAOYSA-N 444.937 1.776 0 40 IDAB CCC[C@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N 4374137 LDZDPQVNCKALJP-ZIAGYGMSSA-N 437.566 1.673 0 40 IDAB CC(=O)O[C@@H]1CO[C@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4974828 PMTIEPHCACAGRT-CGEWXTDFSA-N 447.231 1.457 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Br)cc2)n(C)c1=O 8708883 MOGIYYANBNOLNB-UHFFFAOYSA-N 448.277 1.374 0 40 IDAB CCOC(CCNC(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1)OCC 9524568 VKKRGZKIQYPYII-HOTGVXAUSA-N 441.575 1.886 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)Cc2ccc(F)cc2)CC1 9570174 JFXAPCVMXDQLNO-UHFFFAOYSA-N 435.521 1.645 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)cc1 9589449 DFZZWKNUIYMYGL-QHCPKHFHSA-N 441.484 1.838 0 40 IDAB CCn1c(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)nnc1N1CCOCC1 9749012 YMTBZHWJBQVOKU-UHFFFAOYSA-N 430.534 1.992 0 40 IDAB O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 9870278 BNPGUAQCIBJRLB-LJQANCHMSA-N 429.498 1.371 0 40 IDAB COc1ccc(C(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2ccccc2Cl)cc1 12080719 GRRQWZPPMPVJEY-SFHVURJKSA-N 431.876 1.580 0 40 IDAB Cc1ccc(N2C(=O)N(CC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)C(=O)[C@@H]2C)cc1 13039853 KVOQRCWKJAZYGO-FUHWJXTLSA-N 435.546 1.824 0 40 IDAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(OC)ccc2OC)c1=O 13533199 ZJRNTRJBXRSHPP-UHFFFAOYSA-N 433.486 1.917 0 40 IDAB Cc1nn2c(nc(N3CCN(CC(=O)N4CCOCC4)CC3)c3ccccc32)c1Cl 16737962 KKUHIFXQZWQYFK-UHFFFAOYSA-N 428.924 1.825 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCc3ccccc3F)c2)CC1 18825880 WSQIIATYALQHCG-UHFFFAOYSA-N 433.505 1.651 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCN(C(=O)Cc4cccs4)C3)[nH]c(=O)c2C1 19572690 SYOZXOCAKRCWHE-ZDUSSCGKSA-N 436.559 1.098 0 40 IDAB CN1C(=O)S[C@@H](CC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1=O 19586821 HRSZRAGITANREK-HNNXBMFYSA-N 431.470 1.523 0 40 IDAB NC(=O)C1CCN(C(=O)CN2CCO[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)CC1 19693064 SIELSLLMTKREDA-GOSISDBHSA-N 443.935 1.894 0 40 IDAB CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4cnn(C)c4)CCO3)nc3ccccc23)CC1 19762580 JDIIXMNNSQDUSV-QFIPXVFZSA-N 448.527 1.570 0 40 IDAB Cc1nc([C@@H]2CCCCN2CC(=O)N2CCC(N3CCCCC3)CC2)ncc1C(N)=O 19764503 GLYAQLVCMVPTKY-FQEVSTJZSA-N 428.581 1.888 0 40 IDAB CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 22851605 MSEKJWLJCGEVIQ-IBGZPJMESA-N 442.491 1.670 0 40 IDAB COc1ccc(/C=C/C(=O)N(C)Cc2cccnc2)cc1S(=O)(=O)N1CCOCC1 32967286 HXWCXQBAEZDYNU-SOFGYWHQSA-N 431.514 1.783 0 40 IDAB Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1 35655386 YOSUHIXVPGGTIN-UHFFFAOYSA-N 433.516 1.699 0 40 IDAB NC(=O)CNC(=O)c1ccc(CNC(=O)COc2ccc(F)cc2Br)cc1 40119349 DJHIPUSMIMVOFR-UHFFFAOYSA-N 438.253 1.499 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c(Cl)c1 40149884 GKLGMFGCHRVECV-UHFFFAOYSA-N 443.997 1.888 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@]3(C)CC(=O)N=C4C=CC=CN43)CC2)cc1 40158150 RRDKBUSETJBEBM-QFIPXVFZSA-N 442.541 1.691 0 40 IDAB COC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)CCNC(=O)c1ccc(Cl)cc1 41157817 VSQDCEWNLBOIII-INIZCTEOSA-N 425.913 1.670 0 40 IDAB CNS(=O)(=O)c1cccc(NC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c1 48353572 FQEATKGEFOGSGJ-UHFFFAOYSA-N 447.565 1.262 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CNS(=O)(=O)C(C)C)C2)cc1 58229514 OIFQJJVKCKUNOD-MRXNPFEDSA-N 445.607 1.553 0 40 IDAB NC(=O)C1CCN(C(=O)CN2CC[C@]3(CCC2=O)CC(=O)c2cc(Cl)ccc2O3)CC1 72327663 LGRALGPUAGYAMQ-JOCHJYFZSA-N 447.919 1.780 0 40 IDAB Cc1cccc(C(=O)N2CCCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)c1 78597021 BQMSLKXNXDRWGG-UHFFFAOYSA-N 446.507 1.941 0 40 IDAB C[S@@](=O)C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1 95461433 BOXLPKGQFPUVEI-YRVHBCJASA-N 449.554 1.302 0 40 IDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCn3cnc4ccccc43)C2=O)cc1 96224204 OLCFFXSHJHTFMP-IBGZPJMESA-N 435.484 1.714 0 40 IDAB Cc1ccc([C@H](CNS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)OCCO)cc1 96338137 JXEZOBFKKXFTNW-FQEVSTJZSA-N 430.526 1.859 0 40 IDAB C[C@@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 103125951 MMEJCLBULUBJBT-KBMXLJTQSA-N 428.441 1.669 0 40 IDAB Cc1n[nH]c(SCCNC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)n1 226035900 RETVSERAVRMGSP-UHFFFAOYSA-N 438.362 1.949 0 40 IDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc(O)cc1)(C(=O)OC)N[C@H]2c1ccccc1F 245229727 DVARYMCFDJNTDD-QPXQOZNCSA-N 426.444 1.951 0 40 IDAB O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(CC4CC4)C[C@@H]13)CC[C@@H]2O 253405631 SUAWASGVWFRIAA-WCCBULMPSA-N 443.544 1.030 0 40 IDAB C[C@@H]1CN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2cc(Cl)ccc2N3)C[C@@H](C)O1 253604147 QUKFNSMZKULVHM-ZMOMAAQPSA-N 434.924 1.840 0 40 IDAB Cn1c(=O)c2ccc([C@H]3CN(C(=O)CCc4ccc(F)cc4)CCO3)nc2n(C)c1=O 257214852 CNSAAKOPPZYPCC-GOSISDBHSA-N 426.448 1.304 0 40 IDAB O=C(CCCc1nc2cc(Cl)ccc2[nH]1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 257217711 DAGVSVHXWVNCMT-OPYAIIAOSA-N 436.940 1.194 0 40 IDAB CN1CCC(Cc2cccc(F)c2)(C(=O)NC[C@@]2(O)CCN(c3cnccn3)C2)CC1 257220618 DLMJTDXAQBWWMP-QHCPKHFHSA-N 427.524 1.628 0 40 IDAB Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C)C[C@H]2CN(C(=O)NC(C)C)C[C@@H]23)o1 306138467 RYISUCKWXJMPEC-HOCLYGCPSA-N 428.493 1.391 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)C2)c(OC)c1 408653112 IBCVHGJOMZGIIM-OAHLLOKOSA-N 441.440 1.379 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1)c1ccccc1 409145734 PMMDZFMMIOEMQF-MRXNPFEDSA-N 445.541 1.829 0 40 IDAB Cn1cnc2nc(O)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)c21 521757188 MDQXLMVHBKJRNG-UHFFFAOYSA-N 437.428 1.099 0 40 IDAB CN1c2cc(F)c(NC(=O)CCn3cnc4ccccc4c3=O)cc2N(C)S1(=O)=O 575612832 OIPOKORSWGXLKK-UHFFFAOYSA-N 431.449 1.695 0 40 IDAB O=C(NC1CCN(c2ncccn2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 642589108 BIUMCRZSRBDOML-IBGZPJMESA-N 429.546 1.805 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 1345835 JAZRXBVJTABPOZ-LJQANCHMSA-N 445.541 1.806 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1 2655460 BTLPOZXBXXBJBO-UHFFFAOYSA-N 445.497 1.859 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCC(C)C)ccc1F 4554316 RFWLWMRFSYCODN-INIZCTEOSA-N 427.542 1.956 0 40 IDAB O=C(O)COCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4cccs4)ccc3NC(=O)[C@H]12 8296733 SDOYWONSYUTNND-KSSFIOAISA-N 429.454 1.168 0 40 IDAB biogenic,in-vitro CN(C(=O)c1ccccc1C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 8881787 VTLZEIGGQJGLRT-HNNXBMFYSA-N 430.482 1.423 0 40 IDAB C[C@H](NC(=O)COC(=O)CSCC(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 8882342 RTVWBUFRMDRIEU-BZSISCHUSA-N 438.590 1.843 0 40 IDAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1ccccc1 9302709 LQBINWLDVQPMCD-LJQANCHMSA-N 429.542 1.910 0 40 IDAB C[C@@H]1CCc2sc3c(c2C1)-c1ncnn1-c1nnc(SCC(=O)N2CCOCC2)n1-3 9498037 QWXKVEAMRWTFAY-LLVKDONJSA-N 443.558 1.966 0 40 IDAB C[C@@H]1CN(C(=O)Cn2cnc3c(nnn3-c3ccc(Br)cc3)c2=O)C[C@@H](C)O1 9517788 COPAQZWZXJTCJJ-VXGBXAGGSA-N 447.293 1.376 0 40 IDAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)c2C(N)=O)C1 9639448 TULICITXUOYLRX-UHFFFAOYSA-N 440.481 1.657 0 40 IDAB CN(c1ccc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1)S(C)(=O)=O 9762609 CXJGXBJJVODSOD-NRFANRHFSA-N 443.481 1.495 0 40 IDAB Cc1c(C(=O)O)sc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)c1C(=O)O 9877511 JWQZVPHOVVMDAL-UHFFFAOYSA-N 444.531 1.866 0 40 IDAB COc1cccc([C@@H]2CN(C(=O)CN3CCCN(C(C)=O)CC3)C[C@H]2c2csnn2)c1 12163139 YUOMXKWXBDMDEI-VQTJNVASSA-N 443.573 1.811 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)cc1 12795603 WTKCEMVNGJKBGM-UHFFFAOYSA-N 430.530 1.700 0 40 IDAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 12819941 OEPKLDBXGFRPCJ-QKFKETGDSA-N 437.452 1.865 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(Cn3c(=O)n(C)c4ccccc43)CC2)cc1 12924180 JLCZITDPXQCZKS-UHFFFAOYSA-N 430.530 1.703 0 40 IDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 12941959 VKJUPXBLLCXIOD-UHFFFAOYSA-N 428.470 1.594 0 40 IDAB Cn1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)c1 13003171 FLOQBTLTSTYFDN-FQEVSTJZSA-N 430.574 1.817 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)c(C)c1 13039758 RHUWFNWHZSABDC-QGZVFWFLSA-N 444.557 1.736 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(OCC)c(C)cnc2n(C)c1=O 15880401 ZUOYAZBFVRFTSI-UHFFFAOYSA-N 440.456 1.618 0 40 IDAB CC[C@@H](C(=O)N1CCC(c2nc3c(c(NC)n2)CN(C(C)=O)CC3)CC1)N1CCOCC1 19711428 DEYPYTPEJPGGRJ-FQEVSTJZSA-N 444.580 1.240 0 40 IDAB Cc1nn(C)c(C)c1CCNC(=O)c1cccn(CC(=O)N(C)C2CCCCC2)c1=O 19750076 LZQOYEPYLIOWQK-UHFFFAOYSA-N 427.549 1.962 0 40 IDAB CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc([C@@H]2CCCN2C)n1 19760738 PNKAZKRFXGVUDI-SFHVURJKSA-N 444.561 1.990 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1F 22851221 DWBJSQSWRSGAFE-QGZVFWFLSA-N 438.477 1.915 0 40 IDAB COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC 31812203 MWVQTIUVCSEGKD-YVEFUNNKSA-N 440.378 1.589 0 40 IDAB O=C(CN1CCOCC1)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 32760199 SKURBUVEYKKROQ-UHFFFAOYSA-N 435.322 1.547 0 40 IDAB O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1)N1CCOCC1 35362685 SBPHNQAEXJPHEO-IBGZPJMESA-N 435.571 1.655 0 40 IDAB CCOC(=O)c1cc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc(C(=O)OCC)c1 36813861 ZLJIGIZCFKGSPP-INIZCTEOSA-N 426.491 1.793 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)n1 38542319 XFQAEVWTWCAWOU-CQSZACIVSA-N 440.547 1.603 0 40 IDAB COCCCNC(=O)COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1CCCOC 40158776 HIWMKOICHYERTI-UHFFFAOYSA-N 444.488 1.304 0 40 IDAB Cc1csc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 44892691 JFMYOJALKLLJNM-UHFFFAOYSA-N 440.522 1.842 0 40 IDAB Cc1noc2nc(-c3cccs3)cc(C(=O)NCC(=O)N[C@H]3CCS(=O)(=O)C3)c12 48290756 DLHCVUGRSCWIRP-NSHDSACASA-N 434.499 1.293 0 40 IDAB O=C(CN1CCN(C(=O)[C@H](c2ccccc2)N2CCSCC2)CC1)N1CCCCC1 48302592 YIFJKNYMZJISDG-QFIPXVFZSA-N 430.618 1.933 0 40 IDAB O=C(c1nnc2sc(-c3ccc(I)cc3)nn12)N1CCOCC1 57354664 ZWBRJFFDMVGJLX-UHFFFAOYSA-N 441.254 1.930 0 40 IDAB Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CCN(S(=O)(=O)C(C)C)C2 70021267 VAPDWJYKTJJQEA-KRWDZBQOSA-N 447.561 1.581 0 40 IDAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CCO1 84636634 RFFVCYOTQMSWQN-JCGIZDLHSA-N 445.520 1.247 0 40 IDAB CN(C)S(=O)(=O)c1cccc(COC(=O)[C@H]2CCN2S(=O)(=O)c2ccccc2)c1 97133802 GBWHKKPARZDDJM-GOSISDBHSA-N 438.527 1.443 0 40 IDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCc1cc(=O)n2cc(Br)ccc2n1 97569664 JKNZJBJIXWMYIL-ZIAGYGMSSA-N 446.257 1.451 0 40 IDAB COC(=O)c1ccccc1N1C(=O)[C@@H]2SC(N)=C3C(=O)Oc4ccccc4[C@@H]3[C@@H]2C1=O 107165392 VDJYLKBQDGNOHS-HLLBOEOZSA-N 436.445 1.951 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)NCCN3c4ccccc4N(C)S3(=O)=O)CC2=O)cc1C 239611730 FCLRXIMZYHUZMC-KRWDZBQOSA-N 442.541 1.974 0 40 IDAB CN(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCN(c2ccccc2)C1=O 604631205 PCCPSDZHUHFFPA-LJQANCHMSA-N 430.530 1.714 0 40 IDAB C[C@@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(C(=O)COc1ccccc1)CC2 643565316 VXSONCLNTLOWBO-SFHVURJKSA-N 431.533 1.496 0 40 IDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(C(=O)CCn2cnc3sccc3c2=O)C1 671943527 XLZILVRHVREWOG-OCCSQVGLSA-N 425.474 1.274 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(c5ncc(Br)cn5)C[C@H]4C3)ncnc21 1888913839 SNVTVXSLPGUDOL-BETUJISGSA-N 445.325 1.598 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc2nnn(OCC(=O)NCc3ccccc3OC)c2c1 3326690 XUWHJVFHZQRSAJ-UHFFFAOYSA-N 447.517 1.215 0 40 IDAB CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(C)cc1C 6549450 SNSYWTDXYZISJL-AABGKKOBSA-N 437.445 1.600 0 40 IDAB Cc1ccccc1Nc1nc(N)nc(COn2nnc3ccc(S(C)(=O)=O)cc32)n1 9285757 NMNXVQNVVKOVQV-UHFFFAOYSA-N 426.462 1.283 0 40 IDAB CCOC(=O)CN1C(=O)[C@@]2(C(C(=O)OCC)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 9375121 SAJKIRDNQSYBRS-NRFANRHFSA-N 426.429 1.040 0 40 IDAB COc1cc(-c2nnc(SCC(=O)N3CCN(C(C)=O)CC3)o2)cc(OC)c1OC 9508257 GIIUJZQFRXTLPW-UHFFFAOYSA-N 436.490 1.545 0 40 IDAB CCNC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 9645876 HIZGRHXLDSKKKI-LBPRGKRZSA-N 435.468 1.747 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cccc(C)c2)S(=O)(=O)c2ccccc2)CC1 9764164 ZOVXFMBIJCBVIK-NRFANRHFSA-N 443.525 1.216 0 40 IDAB C[C@@H]1CN(c2ccc(Br)cc2)c2nc3c(c(=O)n(CC(=O)O)c(=O)n3C)n2C1 10271966 DSQJCAXCHILRJR-SNVBAGLBSA-N 448.277 1.532 0 40 IDAB Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)on1 11010548 OLFAYTLYDBUCAC-UONOGXRCSA-N 446.485 1.714 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)cc1 11858341 OWMQFYDOIUQLDG-UHFFFAOYSA-N 426.472 1.571 0 40 IDAB CCOc1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)cc1 11858343 RBJLFCTWAKBPOP-UHFFFAOYSA-N 440.499 1.961 0 40 IDAB CCOc1ccc(N2C[C@H](NC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1 12180194 FUOOECDKZPRRBL-MRXNPFEDSA-N 426.473 1.951 0 40 IDAB CN(Cc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)o1)S(C)(=O)=O 12185881 NINCXGPVGXAGHS-UHFFFAOYSA-N 429.502 1.787 0 40 IDAB Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 12535235 GMDDPZXFZRNDNK-RXVVDRJESA-N 434.496 1.909 0 40 IDAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 12732032 XISYSYGDGMKDBZ-OAHLLOKOSA-N 438.527 1.755 0 40 IDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 12777000 WPGNZDBLZJDOQA-UHFFFAOYSA-N 441.469 1.086 0 40 IDAB CC(C)(C)NC(=O)CN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 13151004 AILDGTWBKNMACE-HNNXBMFYSA-N 429.514 1.026 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 13688657 DAHIUYVQDBBAIY-UHFFFAOYSA-N 431.514 1.727 0 40 IDAB COc1cccc(-c2nnn(CC(=O)NCC(=O)Nc3ccccc3Br)n2)c1 14138451 NUQOPDKKWGRCQM-UHFFFAOYSA-N 445.277 1.866 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 14239925 SCLAKXDABGWGKJ-UHFFFAOYSA-N 428.514 1.410 0 40 IDAB CC(=O)NCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 15958871 KHIIYKCGCVCABY-HXUWFJFHSA-N 426.469 1.874 0 40 IDAB biogenic O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)[C@@H]1CCCN1C(=O)c1ccco1 18377487 ORASSPPOIQCKTA-SFHVURJKSA-N 429.448 1.915 0 40 IDAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1Cl 19201056 LQQIGQZBJXDADK-UHFFFAOYSA-N 444.923 1.342 0 40 IDAB CN(Cc1nc(NC2CC2)ncc1-c1ccccn1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1 19586371 IMKPMOKUGIPMPA-AWEZNQCLSA-N 437.547 1.062 0 40 IDAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)c1 22766429 KTOPQLREBALPJU-LJQANCHMSA-N 429.546 1.750 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(OC)c1 23107276 KACVLGAUJPKJNA-IBGZPJMESA-N 431.464 1.971 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccccc1CN1CCOCC1)C2=O 23673908 CVZVQAFIRWGZSI-HXOBKFHXSA-N 428.533 1.636 0 40 IDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1C 23722119 ZOLGWGNWJPLTSD-UHFFFAOYSA-N 447.542 1.986 0 40 IDAB CC(C)CN(C(=O)CN1CCc2ccccc2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 34875413 JSBNMLGWVXNSCW-UHFFFAOYSA-N 427.549 1.822 0 40 IDAB Cc1nnc(SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1Cc1ccccc1 36385103 NIGXUSQCKWXLFT-UHFFFAOYSA-N 442.589 1.494 0 40 IDAB COC(=O)CCN(CC(C)C)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 40151673 FFSGJMIZHNWQOA-UHFFFAOYSA-N 442.534 1.377 0 40 IDAB Cc1oc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1S(=O)(=O)N1CCCC1 40154680 VSKCIUHHYPHVFR-UHFFFAOYSA-N 446.529 1.802 0 40 IDAB CCn1c(N2CCN(Cc3ccc(Br)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952336 JYMXWNBXZYGGRZ-UHFFFAOYSA-N 447.337 1.528 0 40 IDAB CC(=O)Nc1ccc2c(CN3CCN(CCNC(=O)c4ccco4)CC3)cc(=O)oc2c1 57428493 SFIRAHSEUBZSNE-UHFFFAOYSA-N 438.484 1.892 0 40 IDAB C[C@@H](C(=O)NCCS(=O)(=O)N1CCc2ccccc21)N1C(=O)[C@H]2CCCC[C@H]2C1=O 58101058 NIEGCYLOWUQAIB-BHYGNILZSA-N 433.530 1.059 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(-c3noc(O)n3)cc2)C[C@H](C)O1 58341899 KTHANRVNQAROTC-RYUDHWBXSA-N 425.467 1.003 0 40 IDAB COc1ccccc1N1CCN(C(=O)c2nc3n(n2)-c2ccccc2S(=O)(=O)N3)CC1 83980544 QFHCCOOPUMHIJT-UHFFFAOYSA-N 440.485 1.353 0 40 IDAB O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)NCc1ccc(F)cc1 98213189 RSPUEJWYEBSCMM-UHFFFAOYSA-N 427.411 1.295 0 40 IDAB CC[C@H](C(=O)NCCN1CCOCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222495711 AAAGPJVINSJHEP-OAHLLOKOSA-N 433.958 1.342 0 40 IDAB CCOc1ccc(OCC)c(S(=O)(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1 224183095 FJQLKPPGPBIBSG-UHFFFAOYSA-N 436.534 1.898 0 40 IDAB CC(=O)NCCCC[C@H](N)C(=O)N(C)CC1(O)CCN(c2ccnc3ccncc23)CC1 257213165 CGKOJJOQFZSNIE-IBGZPJMESA-N 442.564 1.053 0 40 IDAB CCn1c(C)nc2cc(C(=O)N3CC[C@@](C)(O)[C@H](n4cc(C)c(O)nc4=O)C3)ccc21 257225488 FGKWCYZWNKHQBS-XMSQKQJNSA-N 425.489 1.774 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)COc3cc(C)nc4ccccc34)[C@H]2O)CC1 257253891 KARKYRUYLIJZTJ-PQNGQFLHSA-N 440.544 1.484 0 40 IDAB COCC(=O)NCc1ccc([C@H]2CN(C)C[C@H]2C(=O)NCCc2ccc(OC)cc2)cc1 257316772 VGYQFTZMINLPFS-DHIUTWEWSA-N 439.556 1.962 0 40 IDAB C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 260913020 ZOKCFVGJTJVWJF-HOCLYGCPSA-N 448.497 1.569 0 40 IDAB O=C(N[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O)C1CCC1 514288863 KVDFLNTVBPFLKX-GBESFXJTSA-N 427.467 1.872 0 40 IDAB biogenic,in-vitro Cn1c(C(=O)NCCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)cc2ccccc21 524732547 OUTJRQWSVYAHKN-KRWDZBQOSA-N 433.468 1.165 0 40 IDAB biogenic Cc1cnc(O)n1-c1cccc(-c2noc(CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)c1 547063668 SHZJUKPTQSGMQL-LMSBXDPUSA-N 435.440 1.641 0 40 IDAB Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 1139151691 QKNZWDGDXQPIAG-OAQYLSRUSA-N 439.493 1.983 0 40 IDAB O=C(CN1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CCN(c2ccccc2)CC1 1889186967 GEWAZSWNVFFJOU-UHFFFAOYSA-N 434.466 1.966 0 40 IDAB CN(C)C(=O)c1nc(CNC(=O)CN)n(-c2ccc(Cl)cc2C(=O)c2ccccc2)n1 1591479 PJYXYQHKKWCODE-UHFFFAOYSA-N 440.891 1.428 0 40 IDAB CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 8918470 PCWDGKGMAKWHNZ-KRWDZBQOSA-N 433.505 1.562 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(N)s1 12555379 ACDZHNRKDSGFPN-UHFFFAOYSA-N 429.549 1.180 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c2ccccc2N1 12734821 OGONTRAAZYXYTR-OAHLLOKOSA-N 435.452 1.924 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(OC(F)F)cc1 12920241 ABRVPDSMFAWCIH-UHFFFAOYSA-N 427.429 1.873 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCN(Cc2ccccc2)CC1 13581040 OOHKXCURJPUCMH-UHFFFAOYSA-N 435.521 1.799 0 40 IDAB COc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccccc2)c(OC)c1 13647440 YJFDXKFVSBECJH-UHFFFAOYSA-N 447.513 1.200 0 40 IDAB CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)c1 14639073 RJKKSEHCLWTWDO-UHFFFAOYSA-N 435.477 1.703 0 40 IDAB Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCC2)c1 17135564 LEQWYZLZPRUAHH-UHFFFAOYSA-N 440.529 1.694 0 40 IDAB COc1cc2c(cc1CCNS(=O)(=O)c1ccc3c(c1)c(=O)n(C)c(=O)n3C)CCC2 19289706 QKKSTRAMLHTAKB-UHFFFAOYSA-N 443.525 1.256 0 40 IDAB CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnn1CC)CC2 19499867 CGCSXWQCULJROU-YOEHRIQHSA-N 426.521 1.894 0 40 IDAB COc1ccc(CN2CCc3nc([C@H]4CCCN4S(=O)(=O)N(C)C)nc(O)c3C2)cc1 19583692 JUNCIMXXSAZTPB-LJQANCHMSA-N 447.561 1.692 0 40 IDAB CCOC(=O)[C@@]1(Cc2ccc(O)cc2)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@@H]21 20150421 CLJUXOSYNIMXSO-YWNPBTLJSA-N 426.444 1.951 0 40 IDAB O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 21874041 QCPDSVSOEICQEN-UHFFFAOYSA-N 435.590 1.415 0 40 IDAB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1 23107436 RGYMNPYGVKHKBO-OAQYLSRUSA-N 427.501 1.510 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1F 30753254 AESPVSVLUVELOK-UHFFFAOYSA-N 434.537 1.783 0 40 IDAB COc1cc(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc(OC)c1 32946798 OUTGTHNXFWQTHM-UHFFFAOYSA-N 436.515 1.969 0 40 IDAB CCOc1cc([C@@H]2NC(=O)NC(CN3CCC4(CC3)OCCO4)=C2C(=O)OC)ccc1O 67285630 ZDWAXFREKVSDLO-IBGZPJMESA-N 447.488 1.411 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2nc3c(N4CCC[C@H](C)C4)nccn3c2=O)c1 71328211 ORECZBAGGCRHSS-AWEZNQCLSA-N 426.477 1.783 0 40 IDAB CO[C@H]1CCC[C@@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)C1 72399126 ALVCSOCHWHWKOT-SQNIBIBYSA-N 442.560 1.976 0 40 IDAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)C2)n1 79492686 AVMWBNSUSDSIQY-IAGOWNOFSA-N 432.550 1.813 0 40 IDAB COC(=O)c1ccc2c(=O)[nH]c(CN3CCN(C)C[C@H]3CNC(=O)OC(C)(C)C)nc2c1 84240616 BGRXTCLYAWSEMX-OAHLLOKOSA-N 445.520 1.350 0 40 IDAB O=C(c1cccnc1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 96056176 BCZLCBWYWVECNX-CVDCTZTESA-N 436.516 1.089 0 40 IDAB COc1cc(CNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc(OC)c1OC 224251447 WMJHGFVSXGMAHI-UHFFFAOYSA-N 440.493 1.930 0 40 IDAB COC[C@H](C)N1C[C@H](C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)CC1=O 253377849 YJSIDSZKRIBKKT-DAYGRLMNSA-N 438.532 1.947 0 40 IDAB CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2=O)CC1)N1CCCC1=O 533604013 XJSCHKPQCGHIMD-QRSOYHKCSA-N 448.608 1.824 0 40 IDAB Cc1ccc(NC(=S)N[C@H]2CS(=O)(=O)C[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1 575419904 AKUNEWOUAKRQOH-MNOVXSKESA-N 444.793 1.933 0 40 IDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O 575424972 DCOJDXWOHFALSB-DLBZAZTESA-N 439.511 1.042 0 40 IDAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)COCC(=O)O)CC2)C1=O 643578949 KPRGZNZYJQGZNE-UHFFFAOYSA-N 432.517 1.960 0 40 IDAB CC(=O)N1CCCCCCCN(CC(=O)N2CCN(CCO)CC2)Cc2ccccc21 2037932401 FOMIXYHKESTGRL-UHFFFAOYSA-N 430.593 1.942 0 40 IDAB CC12CN(S(=O)(=O)c3ccccc3)CC(C)(CN(S(=O)(=O)c3ccccc3)C1)C2=O 2319581 MCEQDWWRRZZBHW-UHFFFAOYSA-N 448.566 1.977 0 40 IDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 2643399 CTCROIFUWNYKKJ-UHFFFAOYSA-N 440.499 1.295 0 40 IDAB CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)c2c(C)noc2C)c(=O)[nH]c1=O 3448745 RXHGFZKRATXLEW-UHFFFAOYSA-N 449.508 1.760 0 40 IDAB CCOC(=O)/C=c1\s/c(=C\c2ccc(F)cc2)c(=O)n1CC(=O)N[C@H]1CCCC[C@H]1C 9127326 ZAJVTOBDHGIBFN-XHHDEUQUSA-N 446.544 1.916 0 40 IDAB Cn1ccnc1C(=O)c1cc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nc2ccccc12 9493713 WRCQRWVKRWOISF-ZDUSSCGKSA-N 444.538 1.595 0 40 IDAB COc1ccc(N2C[C@@H](NC(=O)NC[C@H]3COc4ccccc4O3)CC2=O)cc1OC 9568856 BRMBBUSAHZTZOL-HOCLYGCPSA-N 427.457 1.948 0 40 IDAB COC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(OC)c(Cl)c4)c(C)cn23)n(C)c1=O 9713099 DMTRQKFKJDXSKP-UHFFFAOYSA-N 445.863 1.672 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)n(C)c1=O 9731568 ZZLFJLGNWIZKGK-CYBMUJFWSA-N 438.469 1.466 0 40 IDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 10703149 NSSSAGLUDHJNKL-QZTJIDSGSA-N 428.489 1.607 0 40 IDAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(S(C)(=O)=O)CC1 11720155 XWUJOSBRTXOPHN-HNNXBMFYSA-N 436.361 1.852 0 40 IDAB O=C(OCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1n[nH]c2ccccc12 12530900 MNSKSDNHHANXGV-MRXNPFEDSA-N 427.482 1.936 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1C(N)=O 13002026 DEVNTCKJGVUPNN-UHFFFAOYSA-N 445.328 1.578 0 40 IDAB C[C@H](Nc1ccc(C(N)=O)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 13062765 UEDOKEJQHGPLFT-AWEZNQCLSA-N 432.502 1.246 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)CN1C(=O)N[C@@]3(CCc4ccccc43)C1=O)CC2 13121274 ZZMZAKCONYTSHS-XMMPIXPASA-N 435.480 1.982 0 40 IDAB O=C1NC[C@@H](CCC(=O)N2CCCCC2)N2C[C@@H](NC(=S)Nc3ccccc3)C[C@@H]12 15708555 SXPZMSAMKUJJNX-OTWHNJEPSA-N 429.590 1.707 0 40 IDAB biogenic,in-vitro COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 16194209 LZOCXDKJRRMMSF-UHFFFAOYSA-N 434.470 1.512 0 40 IDAB O=C(O)[C@@H]1[C@H](C(=O)O)[C@H](c2ccccc2)N2[C@@H](C(=O)O)[C@H](C(=O)O)[C@@H](c3ccccc3)N12 19170568 RCMUBGHNTZSDQN-OBRKIGFESA-N 440.408 1.323 0 40 IDAB Cc1cnccc1C(=O)N1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCOCC3)n2)C1 19239492 GOIWEXSMMIOWON-OALUTQOASA-N 438.532 1.397 0 40 IDAB CC(C)c1nc2ccccc2c2nn(CC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)c(=O)n12 19453871 GDEYTOCNRAAGMA-UHFFFAOYSA-N 445.483 1.997 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3Cl)CC2)cc1OC 19604266 SKJYAHGXVRAUFR-UHFFFAOYSA-N 425.894 1.899 0 40 IDAB COc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 22229151 KLBDXRIUBWTNKC-UHFFFAOYSA-N 431.514 1.777 0 40 IDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1 23248395 QQVFSLZDUAOLDS-JOCHJYFZSA-N 428.577 1.323 0 40 IDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCc1ccc3c(c1)OCO3)C2=O 23673892 HBYPNTIGOYMUNA-UHFFFAOYSA-N 445.472 1.466 0 40 IDAB CCn1c(SCC(=O)N2CCOCC2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 32579270 OPFIRUNFXLMBFX-AWEZNQCLSA-N 433.534 1.749 0 40 IDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 32910071 PLJTWSFAMZMHKM-GJZGRUSLSA-N 442.509 1.793 0 40 IDAB C[C@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)c1ccc(NS(C)(=O)=O)cc1 40161886 MDXGZLJIJDAFPT-LBPRGKRZSA-N 448.453 1.331 0 40 IDAB O=C(NCCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1nc(O)c2ccccc2n1 44892927 WTPPSBYDQIDWES-UHFFFAOYSA-N 441.513 1.072 0 40 IDAB CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCN(c3ccccc3F)CC2)c1 56998020 UMUXJBRWYFRMBU-UHFFFAOYSA-N 427.480 1.661 0 40 IDAB CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 57611568 RMCJSVVQLDVIJS-KRWDZBQOSA-N 436.559 1.688 0 40 IDAB O=C(c1ccc(CN2CCOCC2)o1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325694 BOPQIECUTANDNM-UHFFFAOYSA-N 446.529 1.448 0 40 IDAB COc1ccccc1CNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326331 DHFHVDXZESJFGG-IQMFZBJNSA-N 437.500 1.659 0 40 IDAB CC1CCN(CC(=O)N2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)CC1 72335897 NBULKLPOOWUDAR-UHFFFAOYSA-N 449.621 1.918 0 40 IDAB O=C1N[C@@H](CC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccc21 72338790 BRYDLBSXOGWVGW-RXVVDRJESA-N 440.525 1.830 0 40 IDAB CC(=O)N1CC(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)C1 95939789 NXMQJUHLZBOBRS-XMMPIXPASA-N 432.480 1.513 0 40 IDAB COCCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(S(N)(=O)=O)ccc21 100872980 UTZQLWMHKOTYPT-VZCXRCSSSA-N 449.510 1.509 0 40 IDAB CCOC(=O)C1=NO[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]12 100923508 XEXNGJCOOMWSDJ-ONGXEEELSA-N 434.758 1.469 0 40 IDAB O=S1(=O)C=C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 105827644 LAWPMYKEAODRCP-MRVPVSSYSA-N 431.127 1.801 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@H]2CCc3ncc(C(=O)NCCN4CCCC4)n32)cc1 306144237 ZAGDRHMMHOKWQM-QGZVFWFLSA-N 431.562 1.483 0 40 IDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575426736 ZDULZBCVZCUOJT-CVEARBPZSA-N 440.499 1.064 0 40 IDAB Cn1cc(S(=O)(=O)NCc2noc([C@@H]3CCC(=O)N3Cc3ccccc3F)n2)cn1 1775963726 AMCSESAAYWQGHB-HNNXBMFYSA-N 434.453 1.284 0 40 IDAB biogenic,in-vitro CCOC(=O)CN1C(=O)[C@]2(C(C(=O)OC)=C(C)OC(N)=C2C(=O)OCC)c2ccccc21 1322833 RNNJVLPCVHVSMJ-QFIPXVFZSA-N 444.440 1.045 0 40 IDAB biogenic CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 6002581 HZXWVCLHZLFBCA-HOTGVXAUSA-N 435.521 1.824 0 40 IDAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O)c1cccs1 8704902 RYDFSALPXCGJDA-CWTRNNRKSA-N 425.474 1.368 0 40 IDAB CCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc(C(=O)N(CC)CC)c1C 8824425 QDTQOVATAXOYJM-UHFFFAOYSA-N 440.551 1.970 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O 8922967 MAXCYNYYCPOYTK-HXUWFJFHSA-N 428.518 1.985 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1C 9691421 VRHKTXZIHDXARN-UHFFFAOYSA-N 447.557 1.456 0 40 IDAB COc1ccccc1CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 11436455 BKSYXSJTOUHOMG-UHFFFAOYSA-N 432.498 1.953 0 40 IDAB COc1ccc([C@@H]2C[C@H](C(=O)N3CCc4ccccc4C3)N(C)S(=O)(=O)N2)cc1OC 12159631 JSZQIMBTZVFWMV-RBUKOAKNSA-N 445.541 1.868 0 40 IDAB COc1ccccc1N(C(C)=O)c1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 12603720 LABQCXDQRPZVKZ-UHFFFAOYSA-N 440.485 1.632 0 40 IDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)cc2)C1 12777304 IFAMVFUIUOFHOY-GASCZTMLSA-N 449.529 1.108 0 40 IDAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12906626 OHOXGGZZCZREIT-UHFFFAOYSA-N 448.520 1.229 0 40 IDAB CC(C)CN(C(=O)CCC(=O)NCc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13042406 QCJGXKJARFDEAG-UHFFFAOYSA-N 443.548 1.860 0 40 IDAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)c1C 13163805 LWZLRLBDSOEYGX-NRFANRHFSA-N 435.444 1.460 0 40 IDAB CC(=O)N[C@H](Cc1cccc(C)c1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1 13565550 BVADMNWAZKVSAP-JOCHJYFZSA-N 447.543 1.803 0 40 IDAB Cc1sc2nc(N3CCN(CC(=O)NCc4ccco4)CC3)n3ncnc3c2c1C 13653927 MYHAVIGFRXRIHI-UHFFFAOYSA-N 425.518 1.987 0 40 IDAB Cn1c(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nnc1-c1ccc(F)cc1 14123751 MQYUHGLGQACGER-UHFFFAOYSA-N 431.493 1.901 0 40 IDAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCOC3)[nH]c(=O)c2C1 19239461 WEZPOXPPKBVNTH-DNVCBOLYSA-N 437.500 1.372 0 40 IDAB O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(S(=O)(=O)CCc3ccncc3)CC2)no1 19405118 JHYQCVMLSSLTEV-GOSISDBHSA-N 448.545 1.730 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3CCCC[C@@H]3C)CC1)O2 19496283 YSCUQFWZJLKYKM-QMHKHESXSA-N 429.517 1.970 0 40 IDAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@@H](C)Cn3ccc(C)n3)[nH]c2=O)C1 19499095 DTXAHYWDLINNFQ-KXBFYZLASA-N 440.548 1.959 0 40 IDAB Cn1nccc1C(=O)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702918 LBTALSNWMHENJS-MRXNPFEDSA-N 441.513 1.716 0 40 IDAB CNC(=O)c1cnc([C@H]2CCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)nc1C 19763591 WVZZWAGHSKSSIJ-INIZCTEOSA-N 430.530 1.497 0 40 IDAB O=C1O[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)Cc2ccccc21 23078435 GPHGFOPSJLKHAL-SFHVURJKSA-N 434.901 1.955 0 40 IDAB CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)CC(=O)NCc2ccccc2F)c1 32929557 VUZONKNPZGIPPD-UHFFFAOYSA-N 428.507 1.307 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3[C@H](C)COC[C@H]3C)C2)cc1 34897537 NJSGWSPPWVWJHU-BZUAXINKSA-N 439.534 1.901 0 40 IDAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1 36393807 LRQKTNQCGNSCDC-FQEVSTJZSA-N 444.509 1.983 0 40 IDAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)NCc3ccc4c(c3)OCO4)c2=O)CC1 49409180 KFZIGFQWTBWSKH-UHFFFAOYSA-N 447.513 1.314 0 40 IDAB C[C@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2)c1ccc(S(C)(=O)=O)cc1 69560037 WZWPDHZFOOGAOX-NSHDSACASA-N 447.498 1.276 0 40 IDAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1ccccc1S(=O)(=O)C(F)F 96120423 VTEAALQMORBJQC-UHFFFAOYSA-N 436.502 1.617 0 40 IDAB Cc1ccc(N/N=c2\c(=O)cc/c(=N\Nc3ccc(S(=O)(=O)O)cc3)c2=O)c(C)c1 100506391 GQMZKIPSOYKZFR-RPPGGBECSA-N 426.454 1.002 0 40 IDAB Cc1cc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)n1 211103184 HNEGJGSNEAWKSF-UHFFFAOYSA-N 432.424 1.999 0 40 IDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCSc2ncn[nH]2)c(Cl)c1 222841670 ZHRHTTUIIOPJRG-UHFFFAOYSA-N 447.970 1.824 0 40 IDAB COc1ccc(C(=O)NCCSc2nc(C)n[nH]2)cc1S(=O)(=O)N1CCCCC1 222916120 RQESVFQVIJGTKQ-UHFFFAOYSA-N 439.563 1.818 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3ccccc3C)no2)cc1 225546105 OCBAGOGETGYIQA-UHFFFAOYSA-N 430.486 1.991 0 40 IDAB Cc1nc(N2C[C@H]3CN(C(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)C[C@H]3C2)nc(O)c1F 1888890884 PNYYPCPFLXPGSG-OAGGEKHMSA-N 425.464 1.577 0 40 IDAB O=C(NCC1CC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)c2cnn3ccccc23)C1 2055793387 WNTNTOZYNUBCHQ-HSZRJFAPSA-N 433.516 1.934 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCC(C)C)c(C)c1 3017108 RLKQHMPZVDORCD-SFHVURJKSA-N 439.578 1.627 0 40 IDAB CC(C)NC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 6171233 VRBAIQIFFXAPBX-UHFFFAOYSA-N 434.470 1.940 0 40 IDAB COC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 6190475 XMBXIWSRAICXIP-MSOLQXFVSA-N 449.548 1.943 0 40 IDAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1nccs1 9184130 CTGMIVDFHSZKNX-QWHCGFSZSA-N 440.522 1.826 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccccn1 9420667 KLZOXINPFXLGIU-AWEZNQCLSA-N 436.921 1.891 0 40 IDAB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1nccs1 9426788 RLWRETXIYDONJD-UHFFFAOYSA-N 432.487 1.661 0 40 IDAB CCCCN(C(=O)CSc1nnc2n1CCCCC2)c1c(N)n(CCC)c(=O)[nH]c1=O 9579754 RRTYLHDRZJAMIU-UHFFFAOYSA-N 449.581 1.772 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccccc2F)cc1 9806877 HXDMJTCWKJMPLD-INIZCTEOSA-N 449.504 1.420 0 40 IDAB COC(=O)c1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)ccc1OC 9812443 DTHMJNZQIPHGPQ-HNNXBMFYSA-N 440.452 1.922 0 40 IDAB COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)c(C)c2)cc1 13371868 CUYAOISGSVNLOA-PMACEKPBSA-N 441.546 1.914 0 40 IDAB CCOC(=O)c1sc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)nc1C 14122137 HWHCKUQDZJYUMW-UHFFFAOYSA-N 445.544 1.963 0 40 IDAB O=C1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)NC(N2CCN(Cc3ccccc3)CC2)=N1 14606985 SCWBBBOVTLNGNK-IBGZPJMESA-N 449.511 1.459 0 40 IDAB O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCN(c2ncccn2)CC1 17299791 ABGRHWODVWDBCM-UHFFFAOYSA-N 443.554 1.979 0 40 IDAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCN(C4CCCC4)CC3)CC2)Oc2ccccc21 19374684 QVVBHUDQCUNKKM-DEOSSOPVSA-N 440.544 1.604 0 40 IDAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C)c3cc(=O)[nH]c(N4CCCC4)n3)ccc21 19458344 GQWKFHWFPBTAID-CQSZACIVSA-N 445.545 1.709 0 40 IDAB CCOC(=O)[C@H]1CCCN(CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)C1 19530341 PAJNPFPDGHNLPN-IBGZPJMESA-N 444.576 1.951 0 40 IDAB CC(=O)N1CCC(c2cc(CN(C)C)n(CCNS(=O)(=O)c3ccc(C)cc3)n2)CC1 19709122 LUBFAQXVZAHMIW-UHFFFAOYSA-N 447.605 1.958 0 40 IDAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 23247928 ZGPKMRJXUWLQLA-SFHVURJKSA-N 449.573 1.861 0 40 IDAB CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)CC1 26456020 KYAAHZKAGBSQIY-INIZCTEOSA-N 425.551 1.269 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCCO2 32102488 SDKATICATBGEBK-MRRJBJDNSA-N 425.507 1.297 0 40 IDAB O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(OC(F)(F)F)cc3)CN21)NC1CC1 35442303 ARTLHHTUPSYQJO-JZXOWHBKSA-N 440.466 1.675 0 40 IDAB biogenic,in-vitro CS(=O)(=O)N1CCN(C(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)CC1 38488140 JKDMTRXABYROBO-UHFFFAOYSA-N 440.522 1.571 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc(-c3cccnc3)on2)CC1 46762888 CYUWGIRCZNTEEI-UHFFFAOYSA-N 431.474 1.878 0 40 IDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCCCN(C(C)C)S(C)(=O)=O 48274360 MQEWDWDYUZCUCV-KRWDZBQOSA-N 426.518 1.081 0 40 IDAB O=C(CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)c1ccc2c(c1)OCCO2 72325791 WAMLBUVLKJOIRG-UHFFFAOYSA-N 429.498 1.837 0 40 IDAB COc1cccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)c1 98213096 BMIWYZDBTBYJSF-UHFFFAOYSA-N 439.447 1.165 0 40 IDAB COc1ccc2c(CC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(N)=O)cc(=O)oc2c1 205327535 FQRDIXOPNDZWBY-ROUUACIJSA-N 443.500 1.351 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C(=O)O)cc1 217719977 MYQYOOQSJUVBQO-UHFFFAOYSA-N 429.248 1.812 0 40 IDAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(Cc2ccccc2)CC1 219433815 NRXKKIATHYMUAC-UHFFFAOYSA-N 427.526 1.956 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225423231 PPDURQSUDVRGPZ-AWEZNQCLSA-N 439.484 1.894 0 40 IDAB O=c1/c(=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)sc2n1CCCN=2 408837806 NZGXFZMITBWOLL-YBEGLDIGSA-N 437.930 1.487 0 40 IDAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)NCc5ccccc5CS(=O)(=O)N5CCCC5)[C@H]1[C@H]3[C@@H]42 503548742 RIYMNXRGLAFPML-AKBMASFOSA-N 426.538 1.555 0 40 IDAB COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524730021 RLEFMLGVDJMLTI-INIZCTEOSA-N 446.456 1.029 0 40 IDAB biogenic CS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 568466482 HMEBPILJTDJEBP-WMZOPIPTSA-N 428.576 1.378 0 40 IDAB COCCNC(=O)[C@@H]1CCC(=O)NCCCCCOc2ccc(Cl)cc2C(=O)N1 643570962 NWKBCHPHJGVUOZ-INIZCTEOSA-N 425.913 1.660 0 40 IDAB C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)CCn1cc(C(N)=O)c(O)nc1=O 1588004488 NPFLOYBBBIQYCV-SECBINFHSA-N 441.257 1.087 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)cc1C(N)=O 1888899255 ZOHCQZJIEIWTSU-GASCZTMLSA-N 443.529 1.218 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(C(=O)c5cc(C)c(F)cn5)C[C@H]4C3)ncnc21 1888918058 KJVQEAAZPPIOSD-HUUCEWRRSA-N 425.468 1.524 0 40 IDAB CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OC)=C(N)O1 989131 CPEUDRWVNFKHGZ-OAQYLSRUSA-N 430.413 1.020 0 40 IDAB biogenic Cc1cccc(NC(=O)[C@@H](C)NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)c1 2134505 DXEGUBZOOFITMD-JCSQCDBKSA-N 434.489 1.835 0 40 IDAB biogenic CCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 3405932 PAIZERVKCBUGRK-UHFFFAOYSA-N 449.348 1.974 0 40 IDAB CCn1cc(C(=O)NCC(=O)N2CCCC[C@@H]2CCO)c(=O)c2cc3c(cc21)OCO3 9418659 HZQJKDIZVXGOJS-CQSZACIVSA-N 429.473 1.243 0 40 IDAB COc1ccc(N2C(=O)C(=O)N(CC(=O)N(C)Cc3ccc(OC)c(F)c3)C2=O)cc1 9463131 BVCAXWUIHHUIBU-UHFFFAOYSA-N 429.404 1.797 0 40 IDAB COc1ccc(-c2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)n2C)cc1 9713621 SBMHXMYQFRLOFA-UHFFFAOYSA-N 428.474 1.233 0 40 IDAB C[C@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 9839888 DOZZOABYIGICAS-ZDUSSCGKSA-N 444.473 1.097 0 40 IDAB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1[C@H]1CCS(=O)(=O)C1 9952426 NAPBNODFUIMMLA-LSDHHAIUSA-N 439.563 1.605 0 40 IDAB CCCOc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)CC2)nn1 12440305 IQMYSYMGHJZBMT-KRWDZBQOSA-N 439.516 1.976 0 40 IDAB COCCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(Cl)c1 12467150 USYPMLSRIYRVMR-UHFFFAOYSA-N 425.898 1.195 0 40 IDAB Cc1cc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1Br 12782738 IKLNQPKTUMVCAO-GFCCVEGCSA-N 428.308 1.862 0 40 IDAB COC(=O)[C@H](CCSC)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 12850949 CLBVBMTUESGLDM-AWEZNQCLSA-N 433.552 1.103 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)N2CCOCC2)C(C)C)cc1C 12908695 ZHXVOTQWBQYHQA-FUHWJXTLSA-N 426.535 1.397 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CCCn2nc(-c3cccs3)ccc2=O)cc1 13698673 WVAMFOFCVXFUFG-UHFFFAOYSA-N 446.554 1.758 0 40 IDAB C[C@@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 14135409 MMEJCLBULUBJBT-BMFZPTHFSA-N 428.441 1.669 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(CC(N)=O)cs1 14331303 ZCPKZZVTFNIXCG-AWEZNQCLSA-N 430.939 1.766 0 40 IDAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1N1CCOCC1 15038777 KZDFDXUFRPYWIY-INIZCTEOSA-N 432.546 1.630 0 40 IDAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@]4(C3)OCCc3cnc(C)nc34)ccc21 19524264 BRISNNXKYFWKMR-NRFANRHFSA-N 444.513 1.966 0 40 IDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 19695011 KSGFVIDCTGLNAE-KRWDZBQOSA-N 446.511 1.637 0 40 IDAB Cn1cc(C(=O)N2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)cn1 19762571 CENMAJHJXMIIJG-NRFANRHFSA-N 435.484 1.654 0 40 IDAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)ncc1C(=O)NCc1ccccc1 19763542 FUAGUAIQXRDVDP-GOSISDBHSA-N 446.511 1.829 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(Cc4ccccc4)CC3)N2)cc1 20374216 RRRKESRGFQFPSQ-NRFANRHFSA-N 448.527 1.646 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCSCC2)cc1 20503869 RIMUWNJOLRBKSW-OKZBNKHCSA-N 425.620 1.733 0 40 IDAB biogenic,in-vitro O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NCC(=O)Nc1ccc(F)cc1 22917247 HAQJEODICPAFGC-UHFFFAOYSA-N 428.464 1.427 0 40 IDAB O=C1CCc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2N1 23747263 PXGDJGMXVSNASR-UHFFFAOYSA-N 429.498 1.522 0 40 IDAB COc1cccc([C@@]2(C)NC(=O)N(CCOc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)c1 23846361 AJVIJMQMVKRVCO-OAQYLSRUSA-N 447.513 1.792 0 40 IDAB NS(=O)(=O)c1ccc(OCCN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 27371794 QMZKBDOGFCPAKD-OAQYLSRUSA-N 445.541 1.993 0 40 IDAB C[C@H](OC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(=O)N1CCNC1=O 32774428 URNYFTCXXJCVHM-YUMQZZPRSA-N 428.228 1.461 0 40 IDAB COc1ccccc1[C@H](NC(=O)CCNS(=O)(=O)c1c(C)noc1C)c1nccn1C 32842432 LKTKRGWACVUQMV-SFHVURJKSA-N 447.517 1.608 0 40 IDAB C[C@@H]1Oc2ccccc2N(CCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)C1=O 32842860 RGBWLIZEPKFNQY-AWEZNQCLSA-N 434.470 1.460 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC2CCN(C(=O)C3CC3)CC2)C(C)C)c1 32908683 MFUJTZXKVGUHNE-FQEVSTJZSA-N 431.533 1.975 0 40 IDAB Cc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325732 RHDPZAQOUGCGNZ-SFHVURJKSA-N 444.557 1.864 0 40 IDAB NC(=O)C1CCN(C(=O)CCc2nnc3c(N4CCCCC4)nc4ccccc4n23)CC1 35460786 NMHWRRODCXZEEL-UHFFFAOYSA-N 435.532 1.924 0 40 IDAB CC(=O)N[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 58179355 RFZNCRHZOLDESD-LJQANCHMSA-N 435.546 1.417 0 40 IDAB Cc1cc(C)n(C(=O)C2CCN(c3ncccc3S(=O)(=O)N3CCOCC3)CC2)n1 67172487 RSJBRELOBQWPFE-UHFFFAOYSA-N 433.534 1.473 0 40 IDAB Cc1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2cnn(C3CCCC3)c2n1 71284777 WUXCUOYHKKIXEQ-QGZVFWFLSA-N 431.562 1.800 0 40 IDAB CN(C)c1nc(N2CCOCC2)nc2c1CCN(S(=O)(=O)Cc1ccccc1)CC2 96254924 SCNYEUDOKZQXNO-UHFFFAOYSA-N 431.562 1.310 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)CC1 102266991 DWMQMLXNAFULTH-YQQAZPJKSA-N 437.587 1.827 0 40 IDAB Cc1nonc1CC(=O)N1CCN(C)[C@@H](C(=O)NCCc2ccc(C(F)(F)F)cc2)C1 257207377 BHMKWAHFJWODGA-QGZVFWFLSA-N 439.438 1.441 0 40 IDAB CC(C)n1ccc(C(=O)N2CCN(C)[C@H](C(=O)NCc3ccc4c(c3)CCCO4)C2)n1 257210667 BVQHCFNQCQMQBM-FQEVSTJZSA-N 425.533 1.862 0 40 IDAB CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)CN(C(=O)c3cccn3C)CC2)C1 306124927 CCLFHQNDXVJGIT-QHCPKHFHSA-N 438.532 1.246 0 40 IDAB CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)CC1 408527692 FIAJSVJBCVGPCB-UHFFFAOYSA-N 439.534 1.459 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 575421997 LKRHTUZIKHFRAJ-MRXNPFEDSA-N 438.527 1.721 0 40 IDAB C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2cc[nH]n2)CC(=O)N1 643559457 XXHDOQDZRJDDCB-ZDUSSCGKSA-N 433.896 1.613 0 40 IDAB CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H](CO)[C@@H]1CN1CCS(=O)(=O)CC1 1772595056 SYEMFQSTJVEDKQ-ZTFGCOKTSA-N 448.507 1.895 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(COc4ccc5nccn5n4)CC3)cc21 1888959390 MEPPCDMSYUPLMC-UHFFFAOYSA-N 443.485 1.654 0 40 IDAB O=C(O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 2130455 OECOESKZBWEZIY-FAODYONGSA-N 425.485 1.995 0 40 IDAB biogenic CCc1ccc2c(COn3nnc4ccc(S(=O)(=O)N(C)C)cc43)cc(=O)oc2c1 2646435 AKIHGSNSABPWGR-UHFFFAOYSA-N 428.470 1.979 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)C(C)C)cc1 8942680 XAQRTJZDLSURRZ-BXWFABGCSA-N 426.535 1.477 0 40 IDAB C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC1CCCCCC1 9050211 WQHKAAHATGKHJT-SCLBCKFNSA-N 446.953 1.750 0 40 IDAB O=C(Cn1c(=O)c2sccc2n(CC(=O)N2CCCCCC2)c1=O)N1CCCCC1 9410044 GPQIOJCZZFNMKE-UHFFFAOYSA-N 432.546 1.640 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2C)S(=O)(=O)c2ccccc2)CC1 9764194 YBMRNLICBFYVHP-NRFANRHFSA-N 443.525 1.216 0 40 IDAB COc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCOCC1 9779454 PVUJIXGWKMJWGD-MRXNPFEDSA-N 448.497 1.286 0 40 IDAB COc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1NC(C)=O 10678865 YAIATHGQVYHBMM-UHFFFAOYSA-N 447.560 1.444 0 40 IDAB CC(=O)NCCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 12541790 DCEBRCJCGQEOBJ-UHFFFAOYSA-N 445.925 1.523 0 40 IDAB O=C(NC[C@H]1O[C@@H](Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)[C@H](O)[C@@H]1O)C1CC1 12603476 NZUACDPYZOMOFD-LQKXBSAESA-N 443.378 1.193 0 40 IDAB biogenic,in-vitro CC(C)CCN(C(=O)/C=C/c1ccnn1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12898875 XQAHCANJVXEJCC-MDZDMXLPSA-N 436.516 1.993 0 40 IDAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NCc1ccco1 13556237 WFGRHTKXOMZAAD-VFNWGFHPSA-N 441.484 1.861 0 40 IDAB O=C1[C@H]2C3C=CC([C@H]2C(=O)N1c1ccc(O)cc1)[C@H]1C(=O)N(c2ccc(O)cc2)C(=O)[C@H]31 13562120 NLZXLQPOFRCKRZ-QLQTZTHHSA-N 430.416 1.825 0 40 IDAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3S(=O)(=O)N(C)C)[nH]c(=O)c2C1 19238699 QOWKTGPVIBPWSW-INIZCTEOSA-N 437.591 1.641 0 40 IDAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)CNS(C)(=O)=O)C3)cc2N1 19451347 RFHXWAKQFPEEFH-SGMGOOAPSA-N 437.488 1.692 0 40 IDAB Cc1c(CN(CCNC(=O)c2cccs2)Cc2ccccn2)c(=O)n(C)c(=O)n1C 19577079 ZUZUIZVQCGBNAN-UHFFFAOYSA-N 427.530 1.281 0 40 IDAB CCN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 20031025 DUDCMHLSBUIVNY-UHFFFAOYSA-N 445.950 1.314 0 40 IDAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(CC(=O)Nc3cccc(F)c3)CC1)C2=O 22788842 BEIIGFGYNKQSDK-KSFYIVLOSA-N 431.512 1.840 0 40 IDAB Cc1ccc(-n2ccnc2SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1C 23138115 QWYAMYJSTRBRIE-LJQANCHMSA-N 448.614 1.913 0 40 IDAB CCN(CC)[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)Cc1ccccc1 24688226 YIHBCJSWNCNTCT-QGZVFWFLSA-N 425.576 1.565 0 40 IDAB Cc1csc(=O)n1CCCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 25620562 AYPJFBZNMIJAMO-UHFFFAOYSA-N 445.513 1.810 0 40 IDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)C1 29198253 BINKFCVHYLUBLP-OCCSQVGLSA-N 444.351 1.342 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1 32615450 OJNJCWFGVSTBCE-UHFFFAOYSA-N 445.435 1.378 0 40 IDAB CCCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C 35312961 LDDYGMAQYMVRAW-UHFFFAOYSA-N 444.513 1.980 0 40 IDAB Cc1csc(CC(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)n1 36386230 YYMWNDJAFQVTJQ-UHFFFAOYSA-N 430.530 1.938 0 40 IDAB CS(=O)(=O)NCC1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 42381339 SHGPRFJNOZQOOE-UHFFFAOYSA-N 437.562 1.415 0 40 IDAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 58107042 GUDVYVZZSZKSET-UHFFFAOYSA-N 429.542 1.936 0 40 IDAB C[C@]1(c2cccc(NC(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)c2)NC(=O)NC1=O 60684920 JBUKAXNMKIYOBC-PKTZIBPZSA-N 447.451 1.073 0 40 IDAB O=C(C[C@@H](CN1CCN(Cc2cccnc2)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 71283426 XGBFBRKHVIFTSP-SFHVURJKSA-N 440.500 1.700 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1 77154377 OZDSJXQCFIIQNG-UHFFFAOYSA-N 427.505 1.912 0 40 IDAB COc1ccc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)c(OC)c1 85876714 KQFDCFDXMKBPOZ-UHFFFAOYSA-N 432.381 1.186 0 40 IDAB biogenic CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC[C@@H]3COCC[C@H]32)c1 95415670 POHXRZKVUVEXIM-IEBWSBKVSA-N 437.562 1.474 0 40 IDAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2c(C)nn(C)c2C)c2cc(Br)ccc21 101446135 DNHOANIOHBHLHQ-MRXNPFEDSA-N 448.321 1.640 0 40 IDAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cccnc2)[C@H]31 169678375 MLQZGIPLWFHGLW-QZWCVPLHSA-N 443.506 1.389 0 40 IDAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206911110 OYPTYVWRMLVNPG-UHFFFAOYSA-N 439.423 1.587 0 40 IDAB COc1cccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1 240122385 VYAKQQWQVCJPNP-UHFFFAOYSA-N 442.563 1.131 0 40 IDAB COC(=O)[C@]1(C)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 245230608 VFOVZBMOVLHSID-ISJRUSPKSA-N 438.436 1.545 0 40 IDAB Cc1cc2c(cc1NC(=O)CCn1cnc3ccccc3c1=O)N(C)S(=O)(=O)N2C 575612847 OJPJCAQYCULUAQ-UHFFFAOYSA-N 427.486 1.865 0 40 IDAB CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](COC)C2)n1CCNC(=O)C(C)(C)C 1513418354 QWBYYPPJEVRXCU-MRXNPFEDSA-N 438.573 1.210 0 40 IDAB Cc1cn2nc(OCC3CCN(C(=O)[C@@H]4CC(=O)N(C5CCOCC5)C4)CC3)ccc2n1 1888876288 ISKCOSDNEXUULK-GOSISDBHSA-N 441.532 1.683 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cccc(C)c3O)CC2)cc1 3536436 OGEQEMKDJCIHGS-UHFFFAOYSA-N 432.498 1.699 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3CCc2ccccc2)n(C)c1=O 5461396 XNVBCYJMGHGXNM-HNNXBMFYSA-N 425.489 1.159 0 40 IDAB CC(=O)N(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)c1ccc(Oc2ccc(Cl)cc2)cc1 5760856 AWECIOWHICWSBI-MDMHHNQBSA-N 439.848 1.217 0 40 IDAB COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(OC)cc1-n1cnnn1 8816135 BOHMRXZUKNQXAX-UHFFFAOYSA-N 430.490 1.190 0 40 IDAB Nc1c(C(=O)c2ccc3c(c2)NC(=O)CO3)sc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 9349221 WYDDBINNTVDWOO-UHFFFAOYSA-N 448.460 1.944 0 40 IDAB CCc1ccc(NC(SCC(=O)NCCCOC)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9974382 GDPZAWNOCGCIJT-UHFFFAOYSA-N 448.545 1.809 0 40 IDAB Cc1cc(NC(=O)COC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n(C)n1 11269388 FREPGOICDPWHDJ-UHFFFAOYSA-N 439.398 1.916 0 40 IDAB O=C(N[C@H]1CCS(=O)(=O)C1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 12323034 KNRNUHCLCXISSR-XUJLQICISA-N 432.539 1.214 0 40 IDAB CCCCn1c(=O)n(CC(=O)NCC(F)(F)F)c(=O)c2c1ncn2Cc1ccco1 12520467 VBLVLVNNVOTSSQ-UHFFFAOYSA-N 427.383 1.480 0 40 IDAB COc1ccc(CN(C)C(=O)CNC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1F 12892456 FQPPPGKGKSSTGB-UHFFFAOYSA-N 441.456 1.027 0 40 IDAB COC[C@H](C)NC(=S)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13039483 VLAALRWMRWPWOU-AWEZNQCLSA-N 429.564 1.064 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nccs2)c(=O)[nH]c1=O 13040799 QRVHOYZSFLTYDT-UHFFFAOYSA-N 436.538 1.783 0 40 IDAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 14124425 BPRYLHFVOZYIHO-QFIPXVFZSA-N 431.456 1.409 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)N3CCCC3)CC2)cc1 14142260 USVZIZBROZXBDA-INIZCTEOSA-N 436.530 1.844 0 40 IDAB O=C([C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)c2ccccc2O1)N1CCOCC1 14164230 QNSOLSKEVYAPFL-OAQYLSRUSA-N 428.510 1.990 0 40 IDAB CN(C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C)[C@@H]1CCS(=O)(=O)C1 21184537 LCYXABHTRWZJCU-CYBMUJFWSA-N 444.966 1.785 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(I)cc2)C1 30850193 RUTWXWLDNKFFKS-NSHDSACASA-N 437.303 1.748 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 32871808 AQSZFKSACQNCIX-OAHLLOKOSA-N 431.478 1.274 0 40 IDAB CCn1ncc(CN2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1C 36614499 OTBSMRMXRQDSGO-UHFFFAOYSA-N 431.562 1.845 0 40 IDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)n1 40107530 IRJZIHVRINPGEW-AZUAARDMSA-N 444.557 1.183 0 40 IDAB CC(C)(C)c1cc(C(=O)N2CCC(c3c(S(C)(=O)=O)cnc4ncnn34)CC2)[nH]n1 57730015 HVFYIZXBRKYTNA-UHFFFAOYSA-N 431.522 1.568 0 40 IDAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3nc(C4CC4)n[nH]3)cc2)n(C)c1=O 78729470 GNEITSDNAHVASN-UHFFFAOYSA-N 448.487 1.515 0 40 IDAB O=C(NCC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc2[nH]nnc2c1 79019307 SLUYLLIFDZIMOU-UHFFFAOYSA-N 430.871 1.825 0 40 IDAB Cc1c(C(=O)NCCn2nc(-n3cncn3)ccc2=O)sc2nc(-c3ccccc3)cn12 96097966 MMSILOLEDDFUFV-UHFFFAOYSA-N 446.496 1.939 0 40 IDAB O=C(NCCN1CCN(C(=O)c2cccc(Cl)c2)CC1)c1nc2ccccc2c(=O)[nH]1 96301019 WCFBXMZBOOMYPK-UHFFFAOYSA-N 439.903 1.764 0 40 IDAB O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)NC1CC1 102129981 HYBYIMHLJHYVNK-IYBDPMFKSA-N 439.468 1.402 0 40 IDAB CCOc1ccc(N([C@H](CC)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1 220675297 IZKIFCKXIXQKHO-LJQANCHMSA-N 427.567 1.468 0 40 IDAB CN1CCN(c2ccc(NC(=O)[C@@H]3CCN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 222750755 MAQJDAVFBWQDCX-NRFANRHFSA-N 444.557 1.994 0 40 IDAB O=C(NCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1)c1cccnc1 247387509 KPYCPGQHVQUJQC-KTPJXYJSSA-N 434.496 1.883 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CN(C(=O)CN3CCCC3)CCO2)n1 257334591 YGPBMTOBZSLAGG-LJQANCHMSA-N 438.532 1.304 0 40 IDAB CS(=O)(=O)N1CCC[C@H](c2nc(C(=O)NCCCn3ccnc3)c3ccccn23)C1 306124823 CAMDIRDYHHCDQH-INIZCTEOSA-N 430.534 1.490 0 40 IDAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C3OCCO3)O2)sc2c1CCCC2 409289465 GLXRIUJBKIMOPX-IUTNBOSVSA-N 445.493 1.990 0 40 IDAB Cc1cccc2c3c([nH]c12)CCN(C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O)C3 585290816 FYRGLHCTZFIZHK-GGAORHGYSA-N 441.553 1.631 0 40 IDAB O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)NCC(F)(F)F 1889028867 XMTWDPJYSZYOJG-UHFFFAOYSA-N 448.445 1.732 0 40 IDAB COCCNC(=O)[C@H]1C[C@@H](NC2CCOCC2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O 2332241908 GEYLHOJJUZRLMY-UYWIDEMCSA-N 428.533 1.441 0 40 IDAB CCOC(=O)Cn1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 1327814 PAVATDNGEWXJLW-LJQANCHMSA-N 442.451 1.516 0 40 IDAB CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC)C(=O)N1CCC[C@@H]1C(N)=O 4388796 GQMGPKYVBVSMLI-JJTUDDRGSA-N 440.585 1.933 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8883367 IHVCDVQNXHSOGT-RDTXWAMCSA-N 447.513 1.659 0 40 IDAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@]3(C)CCS(=O)(=O)C3)nnc12 9395458 WDUIVUMOMPKZBB-IBGZPJMESA-N 449.558 1.240 0 40 IDAB COC(=O)c1ccc(N2CN=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n3C2)cc1 9409746 OBBVQBYYDIDFRJ-ODLFYWEKSA-N 439.493 1.597 0 40 IDAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H](NC(N)=O)[C@H](C)CC)cc1 9612568 ICRMLBYCFDHVIN-IUODEOHRSA-N 427.527 1.496 0 40 IDAB CC(C)(C)NC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 12410002 QSUJBUSRQGQOQY-GFCCVEGCSA-N 439.563 1.123 0 40 IDAB CCc1cccc2c1NC(=O)[C@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 15958405 SQGPABFIJDWYSY-HODCWWFKSA-N 449.507 1.559 0 40 IDAB Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1 19201023 NPDJKAGRNMHCJI-UHFFFAOYSA-N 436.516 1.228 0 40 IDAB Cc1c([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCCN(C)C)C3)C2)n2c(nc1=O)CCC2 19554728 ZXJLSXTVVZCPCA-QZTJIDSGSA-N 429.565 1.004 0 40 IDAB Nc1nnc(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)s1 20100338 WTMQLBQVNGWIQQ-CQSZACIVSA-N 435.556 1.918 0 40 IDAB O=C(NC1CC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 20239182 RNUKYEWDMHEGHP-IBGZPJMESA-N 449.554 1.029 0 40 IDAB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 20613964 QRVBSBFUALAWQN-LJQANCHMSA-N 425.485 1.530 0 40 IDAB COc1cc2ncn(CC(=O)NCC(=O)N[C@H](C)CCCC(C)C)c(=O)c2cc1OC 20761611 RMUHLEMICPSUOT-OAHLLOKOSA-N 432.521 1.861 0 40 IDAB biogenic C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(CC(=O)N2CCCCCC2)CC1 22783805 MCGFVBXDIUREBC-MRXNPFEDSA-N 428.537 1.203 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cn2nnc3ccccc3c2=O)c1 24763164 OLCPWQYIVQTXTB-UHFFFAOYSA-N 431.474 1.166 0 40 IDAB CCOC(=O)C1=C(CN2C(=O)C(=O)N(C(C)C)C2=O)NC(=O)N[C@H]1c1ccc(OC)cc1 31673250 CUTYETFJKCOEMK-INIZCTEOSA-N 444.444 1.066 0 40 IDAB CN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@H]1CCS(=O)(=O)C1 32895879 FWDYKPZIWLLIDG-LBPRGKRZSA-N 428.308 1.195 0 40 IDAB O=C(NC[C@H](O)C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1cccnc1 33519507 WHAKNPPQPPCERJ-FQEVSTJZSA-N 431.448 1.971 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3ccccc3)CC2)cc1 35351287 NIOQHRBZVJQVND-UHFFFAOYSA-N 430.530 1.327 0 40 IDAB CCOC(=O)c1ccc(NC(=O)Cn2c(=O)n(CCOC)c(=O)c3sccc32)cc1 57485916 QUTNENKXGRWHAL-UHFFFAOYSA-N 431.470 1.687 0 40 IDAB CCCN1C(=O)N[C@H](CC(=O)N2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)C1=O 72394354 KIRPUSHEPSEKJE-GOSISDBHSA-N 442.516 1.509 0 40 IDAB CS[C@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C[C@@H]1N(C)C 89314088 SPPBCRHHUYYHQI-ZFWWWQNUSA-N 428.352 1.679 0 40 IDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCN(S(=O)(=O)c3cccs3)CC1)C(=O)C2 101964697 LPIJLNCRKYZHSY-KBXCAEBGSA-N 446.616 1.780 0 40 IDAB CCOC(=O)/C=c1/s/c(=C/c2ccc(SC)cc2)c(=O)n1CC(=O)N1CCCC1 105763184 MAUVZYLOYTUWFS-RNCFGZQNSA-N 432.567 1.427 0 40 IDAB C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccccc1 222776221 CAADLHHYIQRGPV-HXUWFJFHSA-N 425.529 1.931 0 40 IDAB Cc1ccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccccc2)c(C)c1 408621247 OUXPRDNQJHJCGI-UHFFFAOYSA-N 431.558 1.947 0 40 IDAB NC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 409243536 SFDRQMLSJOVQKQ-UHFFFAOYSA-N 429.542 1.822 0 40 IDAB Cc1cnc(CNC(=O)[C@H]2CN(Cc3cccc(OCCO)c3)CC23CCOCC3)nc1 585101866 HEFQZIKSPZJZOZ-OAQYLSRUSA-N 440.544 1.701 0 40 IDAB O=C(NCC1CCOCC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccnc(N3CCOCC3)c2)C1 585108749 VAFSTHKDOWCKGA-BHDDXSALSA-N 444.576 1.440 0 40 IDAB O=c1ccc(-n2cccn2)nn1CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 585502846 YZVUQOZUHNJBTD-UHFFFAOYSA-N 441.513 1.465 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(Cc1nccn1C)C2 1549168645 XJWHRTWRXAUORC-NRFANRHFSA-N 437.544 1.481 0 40 IDAB COCc1ccnc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1 1663142158 HEWKKBVTJMLETM-UHFFFAOYSA-N 432.502 1.969 0 40 IDAB CCCC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OCCOC)=C(N)O1 2056379 BRBHFNFUDHOLRG-JOCHJYFZSA-N 430.457 1.884 0 40 IDAB biogenic CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1 8780336 WNIAJXAYJNJVMB-AWEZNQCLSA-N 439.563 1.999 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 9377490 XYCDJDAUQCQOEC-SFHVURJKSA-N 449.504 1.994 0 40 IDAB CCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc12 9519907 UCZSTRCNVXWRFI-HOTGVXAUSA-N 435.546 1.577 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1F 9569979 ZDJIXWFWCQPDHD-UHFFFAOYSA-N 427.448 1.986 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9666656 DXTFNUFMBJWQAG-UHFFFAOYSA-N 444.488 1.459 0 40 IDAB CC(C)[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)OCCCO2 9731470 GOFMZHQFUQNEGU-GOSISDBHSA-N 441.488 1.109 0 40 IDAB CCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O 9935548 XHWKGFIWFOFYOV-UHFFFAOYSA-N 443.456 1.856 0 40 IDAB C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)NC(=O)NC1CCCCC1 9987229 NLQCBUAQOXCDGR-JTQLQIEISA-N 431.898 1.691 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)NC[C@@H]1Cc2ccccc2O1 12085678 PBCZZAJPNFRQEJ-BXKMTCNYSA-N 435.480 1.638 0 40 IDAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NCCCN1CCCC1=O 12408588 ILVABTQIATVZAV-UHFFFAOYSA-N 425.514 1.946 0 40 IDAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(c2ncnc3c2cnn3C)CC1 12638899 XUNDYUOWNXAWJO-CQSZACIVSA-N 431.508 1.757 0 40 IDAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12972642 NGTHHCFLNWMWRY-UONOGXRCSA-N 445.497 1.756 0 40 IDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 13116029 QXDSXKHNPZKJNE-PSLXWICFSA-N 434.452 1.980 0 40 IDAB COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(OC)cc2)cc1 13371672 XPQWUHBTLWTBLC-OALUTQOASA-N 425.528 1.433 0 40 IDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2O)CC1 15378485 QFENWEPJEWEKJN-FQEVSTJZSA-N 436.512 1.896 0 40 IDAB CCc1ccc2c(c1)[C@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15959171 WZMLRSVHAXQUKU-CNGLCLGJSA-N 433.508 1.593 0 40 IDAB biogenic CCn1c(=O)n(CC(=O)N2CCC(C)CC2)c2c(C(N)=O)nc(-c3cccs3)nc21 19524217 CUZVZCQPFPJVPX-UHFFFAOYSA-N 428.518 1.699 0 40 IDAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)CCn2nc(C)nc2C)CCO1 19702877 PJCMMUYZACHKQI-HNNXBMFYSA-N 428.518 1.854 0 40 IDAB CNC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(S(=O)(=O)N2CCOCC2)C1 19739059 GHCOSTIHPMGSDI-FQEVSTJZSA-N 440.566 1.280 0 40 IDAB CNC(=O)c1cnc(C)nc1CC1CCN(C(=O)c2ccnc(N3CCOCC3)c2)CC1 19757116 BLDDXAARUNKVHW-UHFFFAOYSA-N 438.532 1.471 0 40 IDAB COC(=O)c1cccc(COC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1 23817461 HLSDIDAOFHGQKR-JOCHJYFZSA-N 426.425 1.992 0 40 IDAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1CCN(Cc2ccccc2)CC1 28207519 XYBKSALDDDUJRM-UHFFFAOYSA-N 431.558 1.969 0 40 IDAB O=C([C@@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)c2ccccc2O1)N1CCOCC1 32820288 RNVBODYRBVHZOX-QFIPXVFZSA-N 448.479 1.440 0 40 IDAB CC(C)N(CCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)C(C)C 32928296 OISUTVDRKCFMPW-IBGZPJMESA-N 441.594 1.951 0 40 IDAB O=C(CN1CCN(C(=O)c2c[nH]c(=O)cn2)CC1)Nc1ccc(OC(F)(F)F)cc1 32932522 YZWJGUFGTJCAEP-UHFFFAOYSA-N 425.367 1.065 0 40 IDAB CC(=O)Nc1ccc(CC(=O)Nc2c(N)[nH]c(=O)n(Cc3ccccc3F)c2=O)cc1 38490548 LWPNUZKWWKOYIM-UHFFFAOYSA-N 425.420 1.446 0 40 IDAB COC(=O)c1ccc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)cc1 40152800 PGKNEESKNAUIFP-UHFFFAOYSA-N 438.527 1.549 0 40 IDAB COc1ccc(C(=O)N2CCN(CCNC(=O)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 44921862 QIMKAFNBOJKGIU-UHFFFAOYSA-N 435.484 1.120 0 40 IDAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(c2c(S(C)(=O)=O)cnc3ncnn23)CC1 57730002 PTAPAHWONTVICT-UHFFFAOYSA-N 445.549 1.579 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(OC)cc2C(=O)OC)c1 58003438 KJGDJMZVYMWGPP-UHFFFAOYSA-N 437.426 1.856 0 40 IDAB NC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 58061734 ONPAKOWCSURTJY-QGZVFWFLSA-N 432.502 1.565 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 58100738 QVQMKQZXQLADOM-UHFFFAOYSA-N 425.411 1.503 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NC[C@](C)(O)CC)CC2=O)cc1 72304433 KFZDODFSOWVISN-MGPUTAFESA-N 425.551 1.347 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)CC2)Nc2ccccc21 72325993 OLAMMIFXFAGJMT-VEYWIMSWSA-N 440.544 1.704 0 40 IDAB O=C(O)c1cc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cnc1Cl 79103018 FASQRJGTJVGTTL-VIFPVBQESA-N 439.833 1.672 0 40 IDAB Cc1ccc(-c2noc(CN3CCN(C(=O)Cc4nc5nc(C)cc(C)n5n4)CC3)n2)cc1 95350252 HDCDIEQRWGOCBM-UHFFFAOYSA-N 446.515 1.986 0 40 IDAB Cc1noc(-c2ccn3c(CNS(=O)(=O)c4ccc5oc(=O)n(C)c5c4)nnc3c2)n1 225746917 NWRJIACETYPRDR-UHFFFAOYSA-N 441.429 1.011 0 40 IDAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc4ccccc4n3)C2)cc1 239579026 DDTPZCRFTJPQOY-QGZVFWFLSA-N 427.482 1.941 0 40 IDAB CC(=O)N1CCN(C(=O)Cc2csc(Nc3ccccc3F)n2)[C@@H](C(=O)N(C)C)C1 257235162 GWSFSXNVLZIIPA-QGZVFWFLSA-N 433.509 1.716 0 40 IDAB CCc1ccccc1N(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccccc1 408616435 GHZVRVVYHLOZGT-UHFFFAOYSA-N 431.558 1.893 0 40 IDAB NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 500028247 NJFRZIRQAIYCOZ-UHFFFAOYSA-N 447.373 1.901 0 40 IDAB O=C1OC[C@H](COc2cc(OC[C@H]3COC(=O)O3)cc(OC[C@@H]3COC(=O)O3)c2)O1 627276289 ZXBFDLXRUFWDLP-SOUVJXGZSA-N 426.330 1.429 0 40 IDAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCN(c2ccc3nncn3n2)C1 675008035 QHSJQLFBBFJLHN-AWEZNQCLSA-N 426.424 1.841 0 40 IDAB COc1ccc2nnc(C3CCN(S(=O)(=O)c4ccc5oc(=O)n(C)c5c4)CC3)n2n1 1888959389 IPIBMLVHSRJJML-UHFFFAOYSA-N 444.473 1.146 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 3357846 XYZCBLJKAUQMTC-GOSISDBHSA-N 433.530 1.918 0 40 IDAB N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O 4535892 RCMWNNJFKNDKQR-AQNXPRMDSA-N 425.485 1.065 0 40 IDAB biogenic CCCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC 5396002 ZSLUCURJGQBZTH-IRXDYDNUSA-N 438.546 1.816 0 40 IDAB CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C 8709732 FKIWJCOEILBYRH-AWEZNQCLSA-N 428.468 1.878 0 40 IDAB C[C@H](NC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)CCCC2 8898837 ZEEJQFSPLJGGOB-LBPRGKRZSA-N 429.908 1.843 0 40 IDAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1OC 9001601 UCDLPEBYGYYEEM-UHFFFAOYSA-N 447.451 1.657 0 40 IDAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCc1nnc2ccccn12 9129653 NOYZCXMIXVJOFP-QGZVFWFLSA-N 447.586 1.797 0 40 IDAB CC[C@@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 9218372 SPASYDSRAQJQDN-OXQOHEQNSA-N 441.557 1.884 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(NCCCOC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 9291975 OFNSFPGSPOSNCI-MRXNPFEDSA-N 445.520 1.399 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 9426260 BUQHFGFRUJETAR-FSNCLGKMSA-N 443.408 1.129 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1cccc[n+]1[O-] 9580529 AYCCTTRGRSAARV-UHFFFAOYSA-N 439.515 1.080 0 40 IDAB CCOC(=O)c1ccc(Cn2c(=O)oc3cc(S(=O)(=O)N4CCOCC4)ccc32)o1 11689610 BZTUMPDISGATCZ-UHFFFAOYSA-N 436.442 1.433 0 40 IDAB CCCn1c(CCC(=O)O[C@H](C)C(N)=O)nc2cc(S(=O)(=O)N3CCCC3)ccc21 12045711 HIOBIEZALVIPOW-CQSZACIVSA-N 436.534 1.580 0 40 IDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089447 DCQCCBHDMYQDSO-NRFANRHFSA-N 431.562 1.938 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1 12915194 NKQAKSBNMYSMJC-UHFFFAOYSA-N 444.509 1.945 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 13101518 GBAONQLKVHWHPH-LJQANCHMSA-N 446.481 1.436 0 40 IDAB COc1cccc(N2C(=O)C[C@H](N(O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3=O)C2=O)c1 18153066 WMUSFXPHCBVQSB-HDICACEKSA-N 439.424 1.359 0 40 IDAB COc1cc2cc(N)c(C3CCN(C(=O)C[C@@H]4C(=O)NCCN4C)CC3)nc2cc1OC 19590163 ZLCDWURFLQWLHF-GOSISDBHSA-N 441.532 1.361 0 40 IDAB O=C(C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)N1CCOCC1 22521726 JUPQYRTVIVVCPF-UHFFFAOYSA-N 431.352 1.850 0 40 IDAB CC[C@@H](C)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 29003942 KVJOCYLOSVFCRO-CYBMUJFWSA-N 431.942 1.804 0 40 IDAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 35828572 NEQSNYYWENGCJQ-UHFFFAOYSA-N 440.456 1.953 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1F)C(=O)OC 36569399 FTOXAXKTNVVVJE-APWZRJJASA-N 448.451 1.709 0 40 IDAB CC(C)[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O 40268368 SBQFBHKQIIJHNQ-FQEVSTJZSA-N 433.468 1.874 0 40 IDAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 58154521 QXVYTXGQOYEDCX-UYAOXDASSA-N 444.557 1.265 0 40 IDAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cc1NC(=O)N[C@H]1CCC[C@H]1C(N)=O 78947533 WAPZNVFUDKASKT-JJXSEGSLSA-N 430.509 1.546 0 40 IDAB Cc1ccc([C@H](c2c(O)n3c(nc2=O)SCC3)c2c(O)nc3n(c2=O)CCS3)cc1 100134016 TXWXJJNVOPGHLD-LBPRGKRZSA-N 442.522 1.911 0 40 IDAB CN(C)CC(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCOCC1)CC3 100234231 SJQNCEIQYUKNBQ-LJQANCHMSA-N 428.537 1.197 0 40 IDAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 100376739 VCIRVTJQPNZIIS-DEXNDLTESA-N 439.342 1.971 0 40 IDAB CC[C@H](C(=O)NCCCN1CCOCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220750989 WHDBGGKMICLIHF-QGZVFWFLSA-N 447.985 1.732 0 40 IDAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408593104 PCQPNSACYYTVSI-OVCLIPMQSA-N 426.381 1.950 0 40 IDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 409205865 POEDIACVICFFFX-CYBMUJFWSA-N 441.531 1.428 0 40 IDAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NC[C@@H]1CCS(=O)(=O)C1 524734220 KOFAQLCNPADDLU-VBKZILBWSA-N 439.493 1.352 0 40 IDAB COc1cccc(OC)c1C(=O)NCc1c2c(c(OC)c3c1OCO3)C(=O)N(C)CC2 604404076 BPKOZIPRHCDDBU-UHFFFAOYSA-N 428.441 1.999 0 40 IDAB biogenic CNC(=O)c1cccc([C@@H]2CN(C(=O)[C@@](F)(Cc3ccccc3)NC(C)=O)CCN2C)c1 1848352682 MZPWWMBTNLOLGB-XUZZJYLKSA-N 440.519 1.906 0 40 IDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 9253386 PPGUXIKVUHGGEQ-VXGBXAGGSA-N 445.453 1.413 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4cccc(Cl)c4)c(C)c(C)n23)n(C)c1=O 9829497 IOPYHSVHOMGZBG-UHFFFAOYSA-N 429.864 1.972 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)N(CCc1cccs1)Cc1cccs1)c(=O)n2C 9884804 ITMWGQXZGQWSDS-UHFFFAOYSA-N 443.554 1.828 0 40 IDAB COCCNC(=O)NC(=O)CSc1nnc(N2CCC(C)CC2)n1C[C@@H]1CCCO1 11748054 CDWQKUKJBIZOIG-HNNXBMFYSA-N 440.570 1.258 0 40 IDAB Cc1cc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)nn1C 12443096 FGHSVZVOXIRITQ-UHFFFAOYSA-N 436.519 1.879 0 40 IDAB O=C(c1ccco1)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 12764975 VGJXQLITFUFVEL-KRWDZBQOSA-N 431.514 1.665 0 40 IDAB O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@H](Cc1ccccc1)N[C@@]21C(=O)Nc2ccc(F)cc21 13592160 CBQPJFYWMQQWAX-IJEZHKBASA-N 449.482 1.968 0 40 IDAB CCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n[nH]c1=O 14092839 TWHPOSWVQJMFHU-GFCCVEGCSA-N 427.552 1.787 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 16032670 YXCRQEGMDQRINR-YEJXKQKISA-N 444.484 1.782 0 40 IDAB biogenic CC(C)c1cn(CC(=O)N2CCO[C@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)nn1 19453422 CQSGMMBEOUHPEK-DEOSSOPVSA-N 448.527 1.789 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19520416 IMBWCGHKTGGFFY-QGZVFWFLSA-N 431.518 1.240 0 40 IDAB O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCc1csc(-c2ccncc2)n1 19942543 FEDZGTSVYJIMNK-UHFFFAOYSA-N 442.522 1.963 0 40 IDAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23994741 GFUITXYNHZZCDK-UHFFFAOYSA-N 440.431 1.716 0 40 IDAB CCCC(=O)Nc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c(C(C)=O)c1 24369730 KQEPFDMUYUKZEZ-UHFFFAOYSA-N 425.507 1.110 0 40 IDAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 24904055 TYMCGNFLQNTNFL-SFHVURJKSA-N 434.493 1.849 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1N1C(=O)C[C@H]2CS(=O)(=O)C[C@H]21 32912720 JXYKRESUSZAOIM-XJKSGUPXSA-N 428.532 1.020 0 40 IDAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CNC1=NS(=O)(=O)c2ccccc21 40155294 ZJGPHVZMBCNJLD-HUUCEWRRSA-N 436.534 1.677 0 40 IDAB O=C(Nc1ccncc1)C1CCN(C(=O)c2nc(N3CCOCC3)ncc2Cl)CC1 48286236 MYKRMQZARBEYGN-UHFFFAOYSA-N 430.896 1.853 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2CCN(C(C)(C)C)CC2)c1 48287350 WRMFBWMTZJMKSH-UHFFFAOYSA-N 426.583 1.258 0 40 IDAB COc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@@H]2O)cc1S(=O)(=O)N1CCCCC1 79045813 IBTNRIZEGJDDLD-SJORKVTESA-N 425.551 1.654 0 40 IDAB CC(C)NC(=O)CN1CCN(CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)CC1 96865448 RKZUPAPAGKBMBS-DEOSSOPVSA-N 443.592 1.851 0 40 IDAB O=C(C1CN(c2cc(-c3ccccc3)ncn2)C1)N1CCN(S(=O)(=O)C2CC2)CC1 245060708 PXFQSFHMOVAQOW-UHFFFAOYSA-N 427.530 1.216 0 40 IDAB O=C(c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1)N1CCOCC1 257243258 IGCMAXMHSFVFGU-ZDUSSCGKSA-N 440.472 1.729 0 40 IDAB O=C1N[C@@H](CC(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)c2ccccc21 257249742 JJPFMQRLGPHZNV-KXBFYZLASA-N 437.500 1.463 0 40 IDAB CC(=O)c1cccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)c1 408624314 GTMXIDDGNYCLCN-UHFFFAOYSA-N 430.486 1.484 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc1 408658929 RZFXBVGUKWTAQP-INIZCTEOSA-N 438.440 1.320 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5cccc(F)c5)C[C@@H]4C3)ncnc21 1888944418 DZINXLWWYZBJPT-GJZGRUSLSA-N 446.508 1.369 0 40 IDAB COc1ccc([C@@H]2c3cc4c(cc3O[C@@](O)(CO)[C@@H]2C(=O)O)OCO4)c(OC)c1OC 5809665 PCTHWZMPAXEOPM-WWMYMODYSA-N 434.397 1.347 0 40 IDAB CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O 6190494 FNBLRADOWVNAIT-IXDOHACOSA-N 440.585 1.933 0 40 IDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nnc(Nc2ccc(C)cc2)s1 8670868 WNKIAMMSXRHCFR-ZDUSSCGKSA-N 435.531 1.572 0 40 IDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 8692401 KMIGOJRGJWYJRN-OAHLLOKOSA-N 439.534 1.482 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5cccc(OC)c5)C(=O)[C@H]24)O3)CC1 9410137 CYBWPEYKLISFFX-GKAYAJSDSA-N 441.484 1.282 0 40 IDAB Cc1ccnc(SCCCn2c(N3C[C@H](C)O[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 9518727 ZBDIBSQCYNYKJY-KBPBESRZSA-N 445.549 1.318 0 40 IDAB Cc1cn2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc2n1CCOCCO 10233378 PKJIWYIBLRUJAM-UHFFFAOYSA-N 447.495 1.668 0 40 IDAB CC(C)c1nc(C2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c2cccnc2n1 12220501 AAITWOBMRMWZSF-OAHLLOKOSA-N 438.575 1.845 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)N1C[C@@H](C)O[C@H](C)C1)n2CC(C)C 12507094 IDPZLRRIIZUVFS-HZPDHXFCSA-N 433.553 1.911 0 40 IDAB Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NC[C@H]2CCCO2)c1 12715897 XFTHKQFQGUFWMT-GXTWGEPZSA-N 431.518 1.463 0 40 IDAB O=C(NCC(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1 13628063 HYOMEUAZDHATAO-UHFFFAOYSA-N 448.567 1.999 0 40 IDAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)c(OC)c3)C2=O)cc1 14162033 VSBMITMXHHIYQF-JOCHJYFZSA-N 440.456 1.469 0 40 IDAB CCc1cccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 16033015 XJBNWBJVVISKKM-UJAPCULTSA-N 446.507 1.088 0 40 IDAB biogenic Cc1ccn(CCC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)n1 19238081 AJJIXHOFJYGMIN-IBGZPJMESA-N 438.532 1.713 0 40 IDAB CN(c1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 31772908 VVUVDUPDIOYOFR-KRWDZBQOSA-N 429.541 1.473 0 40 IDAB COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1nnsc1Cl 32776273 RPHMNRNEEYBMCW-GOSISDBHSA-N 436.877 1.860 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)n(C)c1 32869044 PZULKNQYTXJNRW-UHFFFAOYSA-N 433.530 1.946 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccccn2)CC1 33236886 AYTOOZYFWCLPLW-UHFFFAOYSA-N 430.530 1.061 0 40 IDAB Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)cc1 33935997 JESAKGFQNKXLOS-MOUOQKSQSA-N 434.489 1.835 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)cc1 35592787 PIFVFEHWNGFRQF-UHFFFAOYSA-N 429.454 1.619 0 40 IDAB O=C(NC[C@@H](O)CO)c1ccncc1Nc1ccc(I)cc1F 38226010 VIUAUNHCRHHYNE-SNVBAGLBSA-N 431.205 1.652 0 40 IDAB in-vitro COc1ccc(OCCN2CCN(C(=O)c3cc(C)nc4c3c(=O)[nH]n4C)CC2)cc1 40145068 CVEZEBFRKUHIBA-UHFFFAOYSA-N 425.489 1.415 0 40 IDAB O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC(N2CCCCC2)CC1 48304186 BYVDFAOYEMAZFI-UHFFFAOYSA-N 427.592 1.860 0 40 IDAB CCN(CC)[C@@H](CNC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C)c1ccccc1Cl 48362430 IIYNHOVVIVCVMF-HNNXBMFYSA-N 446.939 1.735 0 40 IDAB COc1cc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)NCc3ccco3)CC2=O)cc(OC)c1OC 58052965 ZHFLAFYRDBLNSG-KBPBESRZSA-N 445.472 1.479 0 40 IDAB Cc1ccc(C(=O)C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 62582316 QRNOZUVGPRWCGK-UHFFFAOYSA-N 430.511 1.716 0 40 IDAB C[C@H]1CCCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)Nc2ccccc2S(=O)(=O)N3)C1 72342471 MOJNBVJGCKZROS-MRUHUIDDSA-N 434.562 1.746 0 40 IDAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(CC(=O)NCC3CC3)nc12 72347056 PNMHHHWKKXZRTK-HOTGVXAUSA-N 438.532 1.766 0 40 IDAB C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC(OCCCN(C)C)CC1 79014248 BEIYHBMBGCMFHC-AWEZNQCLSA-N 444.498 1.980 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122119 OQNFPYHJRRSHBA-UHFFFAOYSA-N 438.527 1.504 0 40 IDAB Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccncc5)CC4)c3CO2)cc1 97943644 SBYVVPKONHWWDX-HXUWFJFHSA-N 432.484 1.851 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccccc3F)C2=O)cc1OC 101169832 XYWOEQOHBSNJDB-MSOLQXFVSA-N 427.392 1.775 0 40 IDAB C[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc2c(c1)OCCO2 139092408 PIVBBLYKAAIPIM-GXTWGEPZSA-N 439.472 1.984 0 40 IDAB C[C@H](C(=O)NCCOc1ccc(F)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224114771 KFZDZHBXQFUGRQ-CQSZACIVSA-N 438.477 1.947 0 40 IDAB CNc1nc([C@@H]2CCN(S(=O)(=O)c3cc(F)ccc3OC)C2)nc2c1CCN(C)C2 257206082 BBTCVAONYMEDGI-CYBMUJFWSA-N 435.525 1.832 0 40 IDAB Cc1cc(N2CC[C@@](O)(CNC(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)ncn1 257336198 YNMXJXQZNXBBOF-XMMPIXPASA-N 441.551 1.936 0 40 IDAB CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)CN(C(=O)Cc3ccco3)CC2)C1 306140499 UVDANFWHVDODJR-HSZRJFAPSA-N 439.516 1.429 0 40 IDAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1 575426592 WNHMMEWOLKBMQJ-IRXDYDNUSA-N 441.527 1.053 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CC(n3nc(-c4ccncc4)ccc3=O)C2)c(C)c1 1775973468 CZOVWIMLVSWPHD-UHFFFAOYSA-N 439.497 1.818 0 40 IDAB CCc1ccc(C(=O)N2CCC3(CC2)O[C@@H](C(=O)N2CCOCC2)Cn2ccnc23)cn1 2055795950 YYYNDQFWAQGCHL-LJQANCHMSA-N 439.516 1.230 0 40 IDAB C[C@@H]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)c2C(N)=O)C1 3297854 QDKCOUSQANWOMA-SNVBAGLBSA-N 433.511 1.755 0 40 IDAB C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(-n2cncn2)cc1 8708077 CTJGWPDFNZBXQR-QGZVFWFLSA-N 430.468 1.516 0 40 IDAB CCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nnc1-c1ccncc1 8898271 REEFTYZBVNGOPG-UHFFFAOYSA-N 429.506 1.738 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)NCC(=O)Nc1ccc(F)cc1 9125290 WOMBFQUUTMCUNQ-OAQYLSRUSA-N 426.404 1.110 0 40 IDAB CN1C(=O)N(C)C(=O)C2(Cc3cc(NC(=S)NC4CC4)ccc3N3CCC[C@H]32)C1=O 9129095 RZFMYXHSKOSWAU-INIZCTEOSA-N 427.530 1.697 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)C(=O)NC3CCCC3)C2)cc1 9134311 KHJORIAWKDCXIB-HOTGVXAUSA-N 437.562 1.659 0 40 IDAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O 9222402 NCBIYWLIDBYAGQ-HXUWFJFHSA-N 426.454 1.885 0 40 IDAB Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 9384857 BMKFMZILOIUDPZ-UHFFFAOYSA-N 428.518 1.559 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC(C)(C)C)nc(-c3cccc(F)c3)nc2n(C)c1=O 9517595 VYDNPPXFCDQNKY-UHFFFAOYSA-N 431.493 1.840 0 40 IDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 10284756 FWCFNFBPGVOYFC-UHFFFAOYSA-N 431.301 1.973 0 40 IDAB COc1ccc(OC[C@@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 10385385 GLZZBDACDKESOH-AWEZNQCLSA-N 431.493 1.330 0 40 IDAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(F)cc3)cc2)C1=O 11904924 VVGBQGSMEVNIMJ-ZDUSSCGKSA-N 426.491 1.659 0 40 IDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)s1 12236263 YVIPZJAOABNGBI-UHFFFAOYSA-N 431.543 1.999 0 40 IDAB O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@]1(Nc1ncccn1)C(F)(F)F 12360655 HHLQGPMSFLRAHJ-MRXNPFEDSA-N 438.753 1.791 0 40 IDAB O=C(Nc1ccccc1C(=O)NC1CCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12753824 JCYSSAZPROHCAW-OAHLLOKOSA-N 446.529 1.463 0 40 IDAB COCCCn1c(S[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n[nH]c1=O 12825057 CMJYKMNWLFYNDB-NSHDSACASA-N 437.478 1.208 0 40 IDAB O=C(COC(=O)CCS(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 12825382 LZQLYYAOZWMAOD-UHFFFAOYSA-N 432.498 1.869 0 40 IDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 12977260 GPDVGSXIAQLFTP-UHFFFAOYSA-N 439.511 1.972 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)cc1OC 13566069 LUSRHJPQCNWBPJ-OAHLLOKOSA-N 447.513 1.842 0 40 IDAB O=C1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)NC(N2CCN(Cc3ccccc3)CC2)=N1 14606986 SCWBBBOVTLNGNK-LJQANCHMSA-N 449.511 1.459 0 40 IDAB CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 20032068 TUVHEJMUIKWZAQ-KRWDZBQOSA-N 443.591 1.149 0 40 IDAB CCCCOCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 21188234 NYIRTRLWUKGHHI-UHFFFAOYSA-N 427.567 1.710 0 40 IDAB COc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 22765736 RKIWEYVLCSJPEV-RTBURBONSA-N 437.412 1.398 0 40 IDAB CN(C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)[C@H]1CCS(=O)(=O)C1 24633940 WCHQFHNXIGZLQV-NSHDSACASA-N 441.600 1.742 0 40 IDAB O=S(=O)(Cc1ccc(F)cc1)NCc1ccccc1S(=O)(=O)N1CCOCC1 25371734 PYECLSWJUUCIMB-UHFFFAOYSA-N 428.507 1.466 0 40 IDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)c1C 25934990 LPGWFMQCAGCPSE-UHFFFAOYSA-N 425.493 1.490 0 40 IDAB CCOC(=O)C1=C(CN2C(=O)c3ccccc3S2(=O)=O)NC(=O)N[C@@H]1c1ccco1 27670736 TXRVYMOWGFLAMX-MRXNPFEDSA-N 431.426 1.295 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1 27980969 NDNXFWMNXPNUBS-UHFFFAOYSA-N 439.291 1.864 0 40 IDAB CCOc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 32932752 AALPLSAQNKQSLD-UHFFFAOYSA-N 432.502 1.256 0 40 IDAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC(C)(C)N1CCOCC1 33026716 OWNOHOKJKUFTBZ-SFHVURJKSA-N 443.635 1.622 0 40 IDAB CCCS(=O)(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C3CCN(C(C)=O)CC3)C1)C2 35415764 LHATXWLEPUFNFN-DLBZAZTESA-N 436.578 1.430 0 40 IDAB biogenic,in-vitro CCOC(=O)Cc1csc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)n1 40287454 PITWUNDKHFOUMQ-HXUWFJFHSA-N 428.470 1.796 0 40 IDAB COc1ccccc1CCNC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O 44892214 OSECOOGMNOGOEP-UHFFFAOYSA-N 447.539 1.937 0 40 IDAB COC(=O)C[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1ccccc1 48344402 OYKUQOAJHBVKGN-UGKGYDQZSA-N 435.480 1.883 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@H]2C(=O)N2CCCC2)C1=O 62587251 HXWNWIINZKJYNS-FDDCHVKYSA-N 426.517 1.847 0 40 IDAB O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325730 ZLYMJUWCFQEJDZ-MRXNPFEDSA-N 446.573 1.890 0 40 IDAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CC[C@H](O)[C@H]4CCCC[C@@H]43)CC2)Oc2ccccc21 72326147 FITYWQWDWQCQAH-SXTNBDNLSA-N 441.528 1.670 0 40 IDAB Cc1c(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)nnn1-c1cccc2cnccc12 79094308 KGORVHKPFUEUHH-DOTOQJQBSA-N 428.518 1.572 0 40 IDAB C[C@H](C(=O)N1CCCCC1)N1CCN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 79106145 KOWSABZZAQHFPB-QGZVFWFLSA-N 435.532 1.632 0 40 IDAB COc1ccc(OC(=O)c2cccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 83950017 NOYZDETXTNJBML-AWEZNQCLSA-N 425.484 1.380 0 40 IDAB CN(C)C(=O)CN1Cc2c(C(=O)N3CCCCC3)ncn2-c2ccccc2S1(=O)=O 96147538 JHKOYJSMVQPLQG-UHFFFAOYSA-N 431.518 1.091 0 40 IDAB COCCN1Cc2c(C(=O)N(C)Cc3ccccn3)ncn2-c2ccccc2S1(=O)=O 96266180 JIPNBWSGAPZTPU-UHFFFAOYSA-N 441.513 1.690 0 40 IDAB CCn1cc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(=O)NCCc2ccccc2)n1 101591492 VGNJGQZJUASWAM-FJIDUMEYSA-N 426.473 1.692 0 40 IDAB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)NCc4ccco4)cc3C2=O)s1 138761588 CJROEJCYXPEUJH-UHFFFAOYSA-N 426.410 1.713 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222839465 DAXCASKTJGTXFF-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB CN([C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1)S(C)(=O)=O 260772667 ZZIPKQTWDYZEPO-NRFANRHFSA-N 445.541 1.692 0 40 IDAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cc(C)on4)c3)C(=O)[C@H]21 408663855 OZGJHJAPAUYPAX-YDGZCJQPSA-N 435.436 2.480 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 612765251 MPGZHFHNLKPRDJ-UHFFFAOYSA-N 448.520 1.155 0 40 IDAB COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)nc(OC)n1 8442697 GCPAFBHFLYKYRZ-UHFFFAOYSA-N 439.519 1.764 0 40 IDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 8733268 XEFYLLYIUVFEEH-YJBOKZPZSA-N 447.532 1.950 0 40 IDAB biogenic O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 9283363 JUNZDZLEPLDERF-UHFFFAOYSA-N 425.397 1.772 0 40 IDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCN(c2ccccc2)CC1 9421703 DNHGPEZGJDBBPF-UHFFFAOYSA-N 449.559 1.516 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2ncc(CO)n2Cc2ccc(OC)cc2)CC1 10336437 YMTOXOUMBXGOBQ-UHFFFAOYSA-N 448.545 1.825 0 40 IDAB CC(C)c1cc(C(=O)N2C[C@H](C(=O)N(C)C)[C@]3(COc4ccccc4C(=O)N3)C2)no1 12123788 RNWPGZPQPWPZFU-IVZQSRNASA-N 426.473 1.519 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1OC 13009216 YLJGLIOQZSQRIF-UHFFFAOYSA-N 430.490 1.190 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(c2ncccn2)CC1 15701111 HASWIVDMCAYGGS-UHFFFAOYSA-N 429.546 1.373 0 40 IDAB O=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1ccc[nH]c1=O 16850524 NOMOEGLBENFKCK-UHFFFAOYSA-N 434.452 1.001 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C[C@@H]3C=CCC3)C1)C2=O 19699596 KOFVGLXESLJWMU-QZTJIDSGSA-N 430.549 1.903 0 40 IDAB Cc1nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19739190 YPEVIKQSBPIONW-INIZCTEOSA-N 447.536 1.999 0 40 IDAB COc1cccc(-n2c(=O)[nH]c(O)c([C@H]3NCCc4cc(OC)c(OC)cc43)c2=O)c1 20519144 ORSJLFFXTGOHRE-IBGZPJMESA-N 425.441 1.492 0 40 IDAB biogenic CCCCNC(=O)CN1CCN([C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 22931214 VCNSIWKFQZLRPV-CQSZACIVSA-N 435.594 1.197 0 40 IDAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)CC3 23134755 BTJZXVUCJMNFFM-CQSZACIVSA-N 428.514 1.527 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)Cc2ccc(N3CCCC3=O)cc2)c(=O)[nH]c1=O 25063442 YXQYRTIEFSYJKJ-UHFFFAOYSA-N 427.505 1.641 0 40 IDAB O=C(Nc1nc[nH]n1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 26262313 HUBQNFBOHSHWJR-UHFFFAOYSA-N 430.465 1.707 0 40 IDAB CCOc1nc2sc3c(c2c(=O)n1CCN1CCN(C(=S)NC)CC1)CCCC3 28559791 DBMKKXSQHBBSBH-UHFFFAOYSA-N 435.619 1.857 0 40 IDAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48299668 LRUNNPBZUVBQMS-LJQANCHMSA-N 428.533 1.954 0 40 IDAB O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(C/C=C/c2ccccc2)CC1 61719162 AYUSNURLLSIJMS-QTWIXLPOSA-N 444.557 1.010 0 40 IDAB O=C(CN1CCC2(CC1)NC(c1ccccn1)=NO2)N1CCN(c2ccccc2F)CC1 67317440 MFGFEMJAJUYDFA-UHFFFAOYSA-N 438.507 1.643 0 40 IDAB COC[C@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(OC)cc1 67870908 XEFIALHHTASECL-VNTMZGSJSA-N 437.606 1.795 0 40 IDAB biogenic,in-vitro CN1CCCN(c2ccc(CNC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)cn2)CC1 69811570 LZXWPVOBQMSFLV-UHFFFAOYSA-N 435.528 1.803 0 40 IDAB Cc1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2cnn(C3CCCC3)c2n1 71284778 WUXCUOYHKKIXEQ-KRWDZBQOSA-N 431.562 1.800 0 40 IDAB COc1ccccc1[C@@H](O)Cn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nn1 77197227 KFFSBIYNSWCYSP-KRWDZBQOSA-N 425.445 1.212 0 40 IDAB C[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)CNC(=O)OC(C)(C)C 89900673 TVWIWCFDOHSGPL-GFCCVEGCSA-N 435.493 1.910 0 40 IDAB COc1cccc(NC(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(Cc2ccncc2)S4(=O)=O)O3)c1 96145997 NBAIBTRCASELST-DYXWJJEUSA-N 444.513 1.680 0 40 IDAB COC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 96269423 XSJZGRLCPSTLSK-CQSZACIVSA-N 442.253 1.808 0 40 IDAB CC[C@@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)COC)CC4)C1 100234598 FOCQSKLOSDZZML-CABCVRRESA-N 429.521 1.718 0 40 IDAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3CC3C(=O)N(C)C(=O)N(C)C3=O)cc2N1 100728735 HRKKTOJKLWQFIQ-LERXQTSPSA-N 442.442 1.994 0 40 IDAB Cn1c(=O)c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(Br)s3)ccc21 101096344 RUMPZZYAIFLLFC-UHFFFAOYSA-N 430.305 1.862 0 40 IDAB NC1=C2C(=O)Oc3cc(O)ccc3[C@@H]2[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]2S1 107165753 LBTMGQXXYSQZIH-IIAWOOMASA-N 438.417 1.568 0 40 IDAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223218976 DTEWXZGRHZYXRM-QGZVFWFLSA-N 447.488 1.524 0 40 IDAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C(OC(C)=O)OC(C)=O)C=C[C@H]2O1 409047284 OCDDWNQAYFTUGE-AXHMDWHKSA-N 435.816 1.614 0 40 IDAB COc1ccc(OCC(=O)NCc2c3c(c(OC)c4c2OCO4)C(=O)N(C)CC3)cc1 604404568 DPSGXKIYYYAROK-UHFFFAOYSA-N 428.441 1.756 0 40 IDAB biogenic CCOC(=O)[C@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)[C@@H](O)c1ccncc1 1169734769 GVEGNWPNMDPMHH-RTWAWAEBSA-N 427.457 1.369 0 40 IDAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)Cc5cccc(F)c5)C[C@H]4C3)nn12 1888930500 HBCPIADPYVDNDJ-HZPDHXFCSA-N 430.509 1.724 0 40 IDAB COC1(C)CCN(C(=O)[C@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1 2056226491 SGWXXMSNNVRPJL-KUHUBIRLSA-N 444.454 1.887 0 40 IDAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363821 GGGUGKOVCFATIS-MRXNPFEDSA-N 444.492 1.519 0 40 IDAB Cc1ccc2c(c1)[C@@]1(N[C@H](CCC(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 2134320 AHGOZVVUHWJLQW-NZQNYPKQSA-N 425.485 1.913 0 40 IDAB biogenic Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 2646149 DDNWHYMFIBVHSX-IBGZPJMESA-N 427.526 1.942 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)c(C)c1-n1cnnn1 4502519 GGJHTJXLORHYON-INIZCTEOSA-N 433.465 1.701 0 40 IDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 8897920 QXDSXKHNPZKJNE-FATZIPQQSA-N 434.452 1.980 0 40 IDAB CCOC(=O)C1=C(COC(=O)Cc2c(C)n[nH]c2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 8966135 LJHKJQBXPIEKOI-HXUWFJFHSA-N 442.472 1.992 0 40 IDAB COc1ccc(CC(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1 8987495 WUDLDWFHWFCIAJ-UHFFFAOYSA-N 447.513 1.856 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)NCc1ccccc1Cl 9001122 SFYQNTMAGAVJBQ-UHFFFAOYSA-N 435.871 1.971 0 40 IDAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)n1 9038114 GPAYLCZWSWDSFN-UHFFFAOYSA-N 438.444 1.200 0 40 IDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 9492349 ZAJGVOZACWCGJN-UHFFFAOYSA-N 446.529 1.996 0 40 IDAB COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCc5ccccc54)cnc32)cc1OC 9517847 STGFEANDIUWUFX-UHFFFAOYSA-N 432.440 1.584 0 40 IDAB O=C(CN1CCC(NC(=O)c2ccccc2CN2C(=O)CNC2=O)CC1)Nc1ccccc1 11526836 RPPBPQHVKRHXPH-UHFFFAOYSA-N 449.511 1.571 0 40 IDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 12531910 GHEORYNPUWJOCH-HZPDHXFCSA-N 441.469 1.167 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCCc2c1cnn2C 12974639 XGEDWBRVRMTMJQ-JXFKEZNVSA-N 448.545 1.688 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)N1CC=C(c2ccccc2)CC1 14198305 ITOQDRYOCPZKBC-UHFFFAOYSA-N 427.526 1.949 0 40 IDAB NC(=O)C[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 16013085 HJZSLJCUWMONSV-XNGFIGEISA-N 438.871 1.136 0 40 IDAB O=C([C@@H]1CCCO1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699456 CIPRBZOIOUNUOT-FQEVSTJZSA-N 440.544 1.743 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CN3CCCCCC3)C1)C2=O 19699750 OGYPWYNVPLUOFI-GOSISDBHSA-N 447.580 1.176 0 40 IDAB Cc1nc([C@@H]2CCCN(C(=O)CCC(N)=O)C2)nc2c1CC(=O)N2Cc1cccc(F)c1 19743776 UHOBNWOAJBCDCG-MRXNPFEDSA-N 439.491 1.985 0 40 IDAB COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N(C)CCc2ccccc2)c1 20465811 LFVFFSBLTLMGLQ-CLAROIROSA-N 429.517 1.480 0 40 IDAB biogenic,in-vitro Cc1ccc(-c2nnn(CC(=O)OCC(=O)NC(=O)NCCc3cccs3)n2)cc1 21629608 XXWVRXZINNAUMS-UHFFFAOYSA-N 428.474 1.322 0 40 IDAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 21847784 CEZJRHFKNYYQQM-INIZCTEOSA-N 425.485 1.967 0 40 IDAB O=C1NC2(CCCCC2)C(=O)N1CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 23702822 JWTNBZQKNMOPDP-UHFFFAOYSA-N 438.525 1.734 0 40 IDAB O=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 25057361 IIGXJAAHWXCIFB-UHFFFAOYSA-N 442.497 1.863 0 40 IDAB O=CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 26108804 YQAPZQXNIJKHBZ-UHFFFAOYSA-N 448.372 1.836 0 40 IDAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(=O)n(CCOc2ccccc2)n1 31038560 BYHRDQHBDYFTGQ-UHFFFAOYSA-N 436.468 1.950 0 40 IDAB O=C(c1cc(Br)ccc1O)N1CCN(S(=O)(=O)c2cccnc2)CC1 40074482 VRUKQEYAGQXLMC-UHFFFAOYSA-N 426.292 1.696 0 40 IDAB CS(=O)(=O)N1Cc2ccccc2OC2(CCN(C(=O)CCCn3ccnc3)CC2)C1 72394366 VSLRDEQQRSQLKG-UHFFFAOYSA-N 432.546 1.879 0 40 IDAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 97164525 LUJDFHXWXFSJHN-CQSZACIVSA-N 434.518 1.206 0 40 IDAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(N2CCOCC2)cc1 100128650 RDRVQCSYTSJOPV-WOJBJXKFSA-N 425.533 1.710 0 40 IDAB O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 108479370 VKTYFABUADBNOK-NCOADZHNSA-N 432.464 1.111 0 40 IDAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)C(=O)NCc2ccccn2)cc1 222969480 HVKITQYMYCNNQE-INIZCTEOSA-N 448.545 1.015 0 40 IDAB O=C(Nc1nnc(S(=O)(=O)NCCCN2CCOCC2)s1)c1ccccc1Cl 225795300 IAEBRMJCHPEGGM-UHFFFAOYSA-N 445.954 1.444 0 40 IDAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 247877368 ATIUPTXTUKAXII-IVSAIRAKSA-N 436.578 1.655 0 40 IDAB COc1cc(CNC[C@@]2(O)CCCN(c3ncccn3)C2)ccc1OCCCN(C)C 257204221 ATPFEYLNMLBXBG-QHCPKHFHSA-N 429.565 1.937 0 40 IDAB O=C1CO[C@@H]2CN(Cc3ccnc(N4CCOCC4)n3)C[C@H]2N1Cc1ccc(F)cc1 257262580 LLZKMFQXOALQPY-WOJBJXKFSA-N 427.480 1.064 0 40 IDAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4cccc(NS(C)(=O)=O)c4)C3)ncn2)n1 390827619 ZUYZDNAAHOVECH-UHFFFAOYSA-N 441.517 1.726 0 40 IDAB O=C(NCCN1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 408614985 KLMQJPOSZBXPGJ-GOSISDBHSA-N 436.512 1.740 0 40 IDAB COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cnc4cc(OC)c(OC)cc43)[C@H]2O)cc1 1534640190 QOLWGEJWYLROAM-FWKCKQQBSA-N 441.484 1.878 0 40 IDAB O=C1NCCNC(=O)[C@@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1ccncn1)C2 2037818658 GSMUOTXBKZPQDP-DEOSSOPVSA-N 449.511 1.584 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1 1363486 ILUNLDBQWXTCLO-OAHLLOKOSA-N 443.591 1.396 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@@H]([C@H](C)O)N[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 2128893 JBPHKLSPHJFFQO-LNCDPPCRSA-N 449.507 1.613 0 40 IDAB COc1ccccc1NC(=O)CNC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 2134039 BODVAWUTDKJLSN-DIKXUDHVSA-N 436.461 1.146 0 40 IDAB biogenic Nc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)[nH]c(=O)c1NC(=O)c1ccco1 2712537 FPQUUNVLTBYZSB-UHFFFAOYSA-N 443.441 1.335 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 6407097 YLTPHUYLFILXBM-KRWDZBQOSA-N 441.532 1.927 0 40 IDAB COc1ccc(CNC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)cc1 8587800 MMZLAMYCGCMSEC-UHFFFAOYSA-N 445.497 1.892 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)C(=O)Nc3ccccn3)C2)cc1 9061058 WKKLKGWUXGMSKS-JKSUJKDBSA-N 446.529 1.634 0 40 IDAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccncc1 9061103 DXYQTHMBFDPHGN-LSDHHAIUSA-N 434.493 1.765 0 40 IDAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc2c(c1)OCO2 9207777 JMEATQFLLJSUNI-FQEVSTJZSA-N 425.441 1.480 0 40 IDAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCC2)c1=O)COC(C)(C)C3 9409651 ZTNXQRDPYSCLFO-UHFFFAOYSA-N 435.546 1.735 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CN1Cc1ccccc1 9593640 UCXWOHCATWYSRN-OAQYLSRUSA-N 441.553 1.709 0 40 IDAB Nc1nc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)nc(Nc2ccccc2)n1 9780743 PSUVOXPUFSQIHR-UHFFFAOYSA-N 427.490 1.192 0 40 IDAB CCOC(=O)Cn1c(C)c(C)n2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 10233727 PBLDNXLZROUBGW-UHFFFAOYSA-N 437.500 1.994 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3n(n2)[C@H](c2ccccc2)CC(=O)N3)cc1 12466005 OSSFHLRWPVLIHT-INIZCTEOSA-N 426.458 1.969 0 40 IDAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](CO)C(C)C 12881801 GOIWTMSFBJMTAQ-HFIJNKJRSA-N 433.574 1.920 0 40 IDAB biogenic O=C([C@H]1CN(C(=O)c2cc(N3CCOCC3)ccn2)c2ccccc2O1)N1CCOCC1 12891928 XKPUXQFMBBUIIY-OAQYLSRUSA-N 438.484 1.185 0 40 IDAB COc1ccc2c(C)cc3nnc(SCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)n3c2c1 13038670 CKPRDQBQIRETTG-CYBMUJFWSA-N 434.543 1.937 0 40 IDAB O=C1C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)NC(N2CCN(Cc3ccccc3)CC2)=N1 14606987 RGOBJNKFGKROJK-SFHVURJKSA-N 435.484 1.416 0 40 IDAB COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)CSCC(=O)O)n2)cc1 15675983 ASTXRSFUTCCRCW-HNNXBMFYSA-N 429.458 1.912 0 40 IDAB biogenic,in-vitro O=C(CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)NCc1ccccc1 19077234 TXNYPXMMWYQZCN-UHFFFAOYSA-N 431.543 1.314 0 40 IDAB CCS(=O)(=O)N1CCC(c2nc(=O)c3nnn(Cc4cc(C)ccc4C)c3[nH]2)CC1 19520289 GKETVWBZUDPTHZ-UHFFFAOYSA-N 430.534 1.709 0 40 IDAB CN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)c4n[nH]c(=O)c5ccccc45)C3)cc2n1 19585660 NSYAXOBIQTZCIU-CYBMUJFWSA-N 445.483 1.640 0 40 IDAB CNC(=O)c1ccc(-c2ccc([C@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)nc2)cn1 19693527 OEOLOZQKPPZRQK-HXUWFJFHSA-N 432.484 1.929 0 40 IDAB COc1cccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCN(C(C)=O)CC2)c1 22698524 CDCLNMQQFFNTDX-UHFFFAOYSA-N 428.489 1.168 0 40 IDAB CCN1C(=O)/C(=c2\sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)c2ccccc21 27021076 YAWNVRZKOLMYGB-OTZFSBHDSA-N 432.461 1.948 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 31811898 DWEBPENILAETQG-NSHDSACASA-N 426.882 1.064 0 40 IDAB CN1CCc2nc(NC(=O)CN3C(=O)N[C@@]4(CCCc5ccccc54)C3=O)sc2C1 32722075 LMGQSKIQPNAEIM-OAQYLSRUSA-N 425.514 1.853 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 38499823 GXNDPODIHRSUHS-UHFFFAOYSA-N 441.451 1.696 0 40 IDAB CC(C)NC(=O)Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCCC[C@H]2C)c1=O 49402408 LTZYXDNSLOUZPO-OAHLLOKOSA-N 440.500 1.835 0 40 IDAB COC(=O)/C=C1\SCC(=O)N1CCCN1C(=O)C(=O)N([C@@H](C)c2ccccc2)C1=O 58180469 SBYUUSBAFLIYCV-RERGGYADSA-N 431.470 1.518 0 40 IDAB COc1ccc(CN2C[C@@H](C(=O)Nc3ccc4ncn(C)c(=O)c4c3)CC2=O)cc1OC 96223901 AWHKOHYQFUESCQ-HNNXBMFYSA-N 436.468 1.938 0 40 IDAB CC(=O)CN1CC2(CCN(C(=O)c3cccnc3)CC2)COc2ccccc2S1(=O)=O 96263552 QVAOBQXQIYWFJX-UHFFFAOYSA-N 443.525 1.976 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222860989 JVBKBDZMIQBTLB-ZYSHUDEJSA-N 427.501 1.500 0 40 IDAB CNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)[C@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 245227127 BHFZYJRIBUYLBS-BGSOBKSBSA-N 429.542 1.594 0 40 IDAB CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H](c4n[nH]cc4-c4ccnc(N)c4)C3)ccc21 257269501 MQGMCNJLFKJIDJ-CQSZACIVSA-N 438.513 1.751 0 40 IDAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)CN2C(=O)COCC2=O)n1 257293438 QPLBRWIHDORIED-MRXNPFEDSA-N 443.891 1.818 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1 408617831 DKEJDVVFCUWFOA-UHFFFAOYSA-N 447.513 1.992 0 40 IDAB COc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)NC1CCCCC1 408674755 CCZQTUVPABPLBJ-UHFFFAOYSA-N 439.578 1.758 0 40 IDAB COc1ccc(CCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408703096 DPGZASOOTSNWDJ-HNNXBMFYSA-N 434.514 1.980 0 40 IDAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)Cc3ccccc32)cn1 575618169 DYAWDAKJXYWQKH-FQEVSTJZSA-N 426.498 1.621 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 2113418 PQYGHQYPHFLCAW-LZVRBXCZSA-N 438.864 1.735 0 40 IDAB biogenic COc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC 2634451 UWMNNUCQGFZMFZ-KRWDZBQOSA-N 436.486 1.834 0 40 IDAB COc1ccc(OC)c(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)c1 2712524 WUYMCRIOEUCVMC-UHFFFAOYSA-N 445.457 1.945 0 40 IDAB CCCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2c1c(=O)n(C)c(=O)n2C 6162562 PGJVYLNQNRDOQO-UHFFFAOYSA-N 447.517 1.592 0 40 IDAB Cc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1S(=O)(=O)N1CCOCC1 8690359 GTZWVHOTMMFHMR-UHFFFAOYSA-N 438.527 1.802 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)NC(=O)N[C@@H]1C 9442511 IUYLWXYKLHEMII-KDOFPFPSSA-N 431.489 1.811 0 40 IDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 9506717 RGPFRKZLIKEQQN-UHFFFAOYSA-N 447.513 1.554 0 40 IDAB Cc1cccc(OC[C@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 10386232 JKSQNBISEOIHMB-QGZVFWFLSA-N 441.532 1.927 0 40 IDAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 10971208 KZAYARUJFBCNBQ-JOCHJYFZSA-N 441.509 1.985 0 40 IDAB COc1cc(OC)c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1Cl 12821126 LQORAUJURZWAMY-JTQLQIEISA-N 429.882 1.461 0 40 IDAB O=C(NC1=NCCS1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 12914350 TUEICEURFXVVBU-UHFFFAOYSA-N 434.337 1.303 0 40 IDAB CC(C)CN(C(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1)[C@@H]1CCS(=O)(=O)C1 13129920 OGZDSEZSBFAXMX-QGZVFWFLSA-N 449.529 1.384 0 40 IDAB O=C(/C=C/c1cc(F)cc2c1OCOC2)OCC(=O)N1CCN(c2ncccn2)CC1 17254030 VBFYBWDYRCHUOL-NSCUHMNNSA-N 428.420 1.387 0 40 IDAB O=C(O)[C@@H]1[C@H](C(=O)O)[C@H](c2ccccc2)N2[C@@H](C(=O)O)[C@H](C(=O)O)[C@H](c3ccccc3)N12 19170570 RCMUBGHNTZSDQN-LMMHAMTPSA-N 440.408 1.323 0 40 IDAB O=C(CCc1cc(Cl)no1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19292224 GOEKTHQRTYLJCX-CYBMUJFWSA-N 445.907 1.655 0 40 IDAB CN(c1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1)S(C)(=O)=O 20488020 AXMCTBUTWZUBJO-KRWDZBQOSA-N 439.515 1.248 0 40 IDAB CN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 22529398 NWZFRHNNGJBGEV-UHFFFAOYSA-N 440.585 1.121 0 40 IDAB COc1ccc(-c2n[nH]c(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)n2)cc1 23805777 RQCQWVHWQVEBBU-UHFFFAOYSA-N 430.490 1.858 0 40 IDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCN(c2ccccc2F)CC1 27556880 KSAFAPBKVHXODZ-HNNXBMFYSA-N 432.521 1.573 0 40 IDAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)NC[C@@H]1COc2ccccc2O1 32672074 PDJCMTJAXIZDDS-MRXNPFEDSA-N 426.498 1.862 0 40 IDAB CCC[C@@H](C(=O)NC1CCCC1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2cc(C)on2)[C@@H]3C1=O 35290042 OTJCTTXTJXFQQX-AMAJTDJBSA-N 442.516 1.931 0 40 IDAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 40002583 IERDFJXYBYYPDC-OAHLLOKOSA-N 437.500 1.772 0 40 IDAB COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 40105900 YTLLUXAOMVVJJL-CQSZACIVSA-N 440.543 1.888 0 40 IDAB COc1ccc(CCC(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1O 60322413 DQOOHEVQVYEUAC-UHFFFAOYSA-N 434.470 1.113 0 40 IDAB CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@H](c3cccc(Cl)c3)NC(=O)N2)CC1 67285587 YQWBAWZGHKOKSE-KRWDZBQOSA-N 436.896 1.895 0 40 IDAB Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 69947903 ADQPQSIMGWJIJA-KRWDZBQOSA-N 426.521 1.961 0 40 IDAB O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NC[C@@H]1COCCO1 72327684 DTWHLEULIXIYGH-VFNWGFHPSA-N 436.892 1.588 0 40 IDAB O=c1ccc(-c2cccs2)nn1C1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 72335424 PKDJYRLGXNLPOJ-CQSZACIVSA-N 443.572 1.126 0 40 IDAB Cc1cccc(NC(=O)N2CCC3(CC2)O[C@H](C(=O)N2CCOCC2)Cn2ccnc23)c1 96243716 UXUZXNODYUYNND-IBGZPJMESA-N 439.516 1.972 0 40 IDAB Cc1ccccc1CNC(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccncc1)S3(=O)=O)O2 96264013 LNEZICMUVZDTCB-URVUXULASA-N 442.541 1.657 0 40 IDAB COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cccc(OC)c3)c(=O)n12 103697732 ISQMATTYUBHJGP-NCSXYHBRSA-N 436.489 1.868 0 40 IDAB CN1CCN(c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)CC1 113936534 AUVQMAZNSUECLR-UHFFFAOYSA-N 431.562 1.690 0 40 IDAB COc1cccc(N2C[C@H](C(=O)NCc3nnc4cc(-c5nc(C)no5)ccn34)CC2=O)c1 225744473 CLQUCPWWOFYGRA-OAHLLOKOSA-N 447.455 1.766 0 40 IDAB Cn1ccc2cc([C@H](O)CNS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)ccc21 238888900 QKKZMLMNXLVOPZ-LJQANCHMSA-N 427.482 1.844 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)Cc2ccc(F)cc2)cc1 408622492 OVGVAEKVWCFVIE-UHFFFAOYSA-N 449.548 1.773 0 40 IDAB O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@@H](CO)c1ccccc1 504163509 BVHZVEHOLMDNHG-SJORKVTESA-N 425.441 1.466 0 40 IDAB biogenic COc1ccc(C(=O)NCC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1OC 531118423 KIPZTNFJZOOVGX-UHFFFAOYSA-N 441.528 1.707 0 40 IDAB Cn1ccnc1COc1ccc(CN2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)cc1 585271097 QSRZZDRMWOXMQL-MISYRCLQSA-N 446.548 1.820 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(-c4nc(=O)o[nH]4)c3)CC2)c1 1538561919 HHZSSNKKXBYFKA-UHFFFAOYSA-N 442.497 1.793 0 40 IDAB CCS(=O)(=O)c1ccccc1C(=O)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 2037873662 SDRMEDVKGWXAQC-UHFFFAOYSA-N 431.513 1.002 0 40 IDAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1)N1CCCCCC1 1330364 LJSORINFKBSMTM-UHFFFAOYSA-N 444.575 1.779 0 40 IDAB COCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@]12C(=O)Nc1ccccc12 2289078 UNBKQTZIRKZPKN-QFIPXVFZSA-N 430.457 1.882 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCC2(CC1)OCCO2 3021120 VZSCXEUEKRTMGF-UHFFFAOYSA-N 433.324 1.483 0 40 IDAB O=C([C@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)c2ccccc2O1)N1CCOCC1 9579956 KEPFPYYBUJRTCT-HXUWFJFHSA-N 434.452 1.050 0 40 IDAB Cc1cccc(OC[C@@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1 10386238 CSYSNLFOGBBOKG-HNNXBMFYSA-N 439.472 1.387 0 40 IDAB C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 12086005 HKGZVATUYKMFGZ-QZMQVMSPSA-N 425.533 1.246 0 40 IDAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 12549508 GDZSPVHWZICVJE-UHFFFAOYSA-N 442.589 1.707 0 40 IDAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C2CC2)CC1 12766743 VEDNIMKUXHFPET-KRWDZBQOSA-N 432.546 1.365 0 40 IDAB CCCCN(C(=O)CSc1ncn[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13121401 OKPVKZMIYLPHDR-UHFFFAOYSA-N 429.506 1.211 0 40 IDAB CCN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 13137860 SQHLHWYJFORWSN-UHFFFAOYSA-N 443.460 1.381 0 40 IDAB O=C(CN(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCCC1 13503312 HMJOKZILSSWXCX-GOSISDBHSA-N 437.562 1.421 0 40 IDAB O=c1c(C(c2ccccc2F)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2 13809979 IHQFXOKAASPXHA-UHFFFAOYSA-N 446.485 1.742 0 40 IDAB O=C1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)NC(N2CCN(c3ccccn3)CC2)=N1 14607060 RAQLDKGTNQFMQC-MRXNPFEDSA-N 430.871 1.879 0 40 IDAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)C1 14607409 MXEGWLMTZZTNRV-SUMWQHHRSA-N 446.456 1.167 0 40 IDAB CC(=O)Nc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 16517705 CPAPYIZDGOXSPU-UHFFFAOYSA-N 430.530 1.898 0 40 IDAB CCOc1ccc(C(=O)NCCN2CCn3cc(OC)c(=O)cc3C2=O)cc1OCC 16850496 WHFHUGPFOSCKCZ-UHFFFAOYSA-N 429.473 1.540 0 40 IDAB O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 20614159 IDVPNAVKADJHGM-IBGZPJMESA-N 425.485 1.264 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccn2)CC1 21773291 KTFIATRUOZCBDU-UHFFFAOYSA-N 431.514 1.628 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)NC(=O)N[C@H]1C 22869971 FIKGGFAVGPCJBK-DZGCQCFKSA-N 429.473 1.664 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 32794475 GSKAKSSNEMWCJI-UHFFFAOYSA-N 428.507 1.920 0 40 IDAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 33024187 IHEDJDPMFSIYFC-LDADJPATSA-N 427.526 1.951 0 40 IDAB CCOC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 48275428 LMBFSRNAEPWRPU-QGZVFWFLSA-N 447.532 1.832 0 40 IDAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)N[C@H]2CCc3ccccc32)c1=O 57520750 MHWIIWWFDVTIMI-HNNXBMFYSA-N 425.514 1.561 0 40 IDAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCCCc2nnc3ccccn23)cc1 72313052 HSFADMTVBDAVBT-UHFFFAOYSA-N 441.435 1.933 0 40 IDAB COc1cccc2c1OC[C@@H](C(=O)N1CCC(c3nnsc3S(C)(=O)=O)CC1)C2 72392510 DTIHJEZCGHZCKP-AWEZNQCLSA-N 437.543 1.908 0 40 IDAB O=C1N[C@@H](CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(O)=Nc2ccccc21 79473477 IHPDRTQKKAPSEM-SFHVURJKSA-N 436.468 1.850 0 40 IDAB Cc1cc(CN2CCN(CC3(CN4CCN(Cc5cc(C)no5)CC4)COC3)CC2)on1 95401400 WZLSVODCFPHTAW-UHFFFAOYSA-N 444.580 1.231 0 40 IDAB CC(=O)CN1CC2(CCN(C(=O)c3ccncc3)CC2)COc2ccccc2S1(=O)=O 96263551 OAYIOMHCXPLGPU-UHFFFAOYSA-N 443.525 1.976 0 40 IDAB CC1(C)NC(=O)N(C[C@H](O)COc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)C1=O 100576860 HJIBHMRTIMQCCM-BHYGNILZSA-N 427.457 1.212 0 40 IDAB CN(C)C(=S)/N=c1/ss/c(=N/C(=S)N(C)C)n1-c1ccc2c(c1)OCO2 104276813 XUGJFKHVMVEQAN-YXLFCKQPSA-N 427.602 1.823 0 40 IDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3scnc3C)c(=O)n12 105544419 MNXRRSLVJJCJBN-GTNTUSJPSA-N 427.507 1.624 0 40 IDAB NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2S1 107169102 DICCXHOPHCSSGA-JFIYKMOQSA-N 436.445 1.936 0 40 IDAB O=C(NC1CC1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C(=O)NC3CCCC3)[C@@]23C=C[C@H]1O3 245230832 ZWWNKLNYFSHSJN-JWEZWNSLSA-N 435.524 1.675 0 40 IDAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N1CCN(C)CC1 408596576 WTQZTVYNRKSTPT-UHFFFAOYSA-N 429.542 1.899 0 40 IDAB CN(C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710043 MNWBBDDVBCOMLS-UHFFFAOYSA-N 426.473 1.352 0 40 IDAB CC(C)(CC(=O)O)CC(=O)N1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 604382304 NRQKNRKJWOPZRT-MRXNPFEDSA-N 447.507 1.454 0 40 IDAB biogenic,in-vitro CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)N1CCN(C)CC1)C2 643575771 NYQSFWVIVMJSRD-UHFFFAOYSA-N 432.565 1.340 0 40 IDAB C=CC(=O)N1CCC(C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)(c2ccccc2)CC1 1177118177 GNJSPYGLBLTFNP-IBGZPJMESA-N 426.513 1.771 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(C(=O)c1ccccn1)C2 1549167338 OCYMNAYNXYJYJD-OAQYLSRUSA-N 448.523 1.783 0 40 IDAB C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1CCC(c2nc(N)n[nH]2)CC1 1641801577 FLKIIBSGHKPXRU-IXOXFDKPSA-N 440.426 1.079 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@H]3C2)cc1 1888904413 WKKFATBDRSFMCL-ROUUACIJSA-N 441.557 1.813 0 40 IDAB Cc1ccc(S(=O)(=O)N(CCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 919609 PSQWVNGTTFZIJO-UHFFFAOYSA-N 430.482 1.791 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCc3ccccc32)cc1 3430316 CAANYLZKGSXGMK-UHFFFAOYSA-N 445.497 1.446 0 40 IDAB Cc1ccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)N(C)Cc3ccccc3)[C@H](O)[C@@H]2O)cc1 8643459 QPUPRTALFZCRRB-YUVXSKOASA-N 427.501 1.654 0 40 IDAB biogenic,in-vitro COc1ccccc1CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 8965974 URBLCVLPDJYLNB-UHFFFAOYSA-N 433.530 1.065 0 40 IDAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)[C@H]2COc3ccccc3O2)c(=O)[nH]c1=O 9125976 YPASSYFLDXZCTG-QGZVFWFLSA-N 440.456 1.885 0 40 IDAB O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1 9442204 ILEVPBQUIOCYQI-UHFFFAOYSA-N 446.525 1.500 0 40 IDAB O=C1CCCN1c1ccc(S(=O)(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 9645945 LDELONGIPLCKHV-IAGOWNOFSA-N 442.559 1.170 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(F)c2)[C@H](C)O)cc1 9724096 UGQDLTBVYMXFRK-IFXJQAMLSA-N 438.477 1.652 0 40 IDAB COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCOCC1 9779458 PVUJIXGWKMJWGD-INIZCTEOSA-N 448.497 1.286 0 40 IDAB Cc1ccccc1C(=O)OCC(=O)N1CCN(C(=O)COC(=O)c2ccccc2C)CC1 10862157 UWKOPWJUDMIEOR-UHFFFAOYSA-N 438.480 1.988 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 10912058 PXEBXZXGYQSFKI-UHFFFAOYSA-N 429.486 1.598 0 40 IDAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H](c1ccco1)N(C)C 11997761 SYHPBCYHTYINCP-HNNXBMFYSA-N 441.531 1.236 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)CC1 12085714 CQCVDNHWKGPYGU-HSZRJFAPSA-N 443.500 1.319 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1F 12422836 JMZJMOWLOKFCSZ-UHFFFAOYSA-N 437.512 1.885 0 40 IDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2cccs2)CC1 12753684 PXJRMHMZAQJFNK-ZDUSSCGKSA-N 432.527 1.160 0 40 IDAB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2Br)CC1 12846882 NWTDDJRWGWVDKF-UHFFFAOYSA-N 425.370 1.850 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)CC2)cc1 12915884 AQFXPIZEXMTLMH-UHFFFAOYSA-N 428.514 1.182 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c2=O)C1 19520462 KQKPOXCISKXOGG-GOSISDBHSA-N 448.520 1.984 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccc3F)[nH]c2=O)C1 19572913 WNNSDJFUHFMSTH-KRWDZBQOSA-N 434.493 1.594 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccsc4)C3)[nH]c(=O)c2C1 19583803 XEEWCKUBQFMJTC-OAHLLOKOSA-N 437.591 1.376 0 40 IDAB Cc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1S(=O)(=O)N1CCOCC1 22875217 RYKVZBQEXBQQGD-UHFFFAOYSA-N 442.497 1.365 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 30014246 ULSFZBCCDOAWAK-MSOLQXFVSA-N 440.500 1.864 0 40 IDAB Cc1ccc(SCCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1C 32755599 ZFOMEDATEIIQSJ-UHFFFAOYSA-N 447.582 1.946 0 40 IDAB Cn1nc(CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c2ccccc2c1=O 35268100 JGSFVTYERRLDCA-UHFFFAOYSA-N 437.475 1.398 0 40 IDAB COc1cc(CSc2nnc(NC(=O)CN(C)S(C)(=O)=O)s2)cc(OC)c1 48984882 PZIFLROXCUUVAJ-UHFFFAOYSA-N 432.549 1.678 0 40 IDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 54362747 QVANTVREKNSASC-UHFFFAOYSA-N 438.516 1.340 0 40 IDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2)NC[C@@H]1CCCO1 71280388 FLNLYNCHYZOHMN-ZDUSSCGKSA-N 436.266 1.091 0 40 IDAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)N(C)S(=O)(=O)N1 72335200 WBVHLCYQTVPRDF-QEECUZNISA-N 435.594 1.641 0 40 IDAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cccn3cc(-c4ccc(F)cc4)nc23)CC1 72391714 ACWHWPCEHOPAMC-UHFFFAOYSA-N 431.493 1.705 0 40 IDAB Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)CCN3C(=O)NC(C)(C)C3=O)CC1)O2 72393317 LPIFRVCMFPUDFM-UHFFFAOYSA-N 428.489 1.199 0 40 IDAB COc1cccc(NC(=O)[C@@H]2Cn3ccnc3C3(CCN(S(=O)(=O)C4CC4)CC3)O2)c1 96144641 FBPUBZRCXAXQRW-SFHVURJKSA-N 446.529 1.713 0 40 IDAB CN(Cc1ccccn1)C(=O)C1=NO[C@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 96225920 XJSRYNCFPLUFAX-HXUWFJFHSA-N 432.477 1.789 0 40 IDAB O=C(NC1CCCC1)[C@H]1N(Cc2cccs2)C(=O)[C@H]2[C@@H](C(=O)NC3CC3)[C@H]3C=C[C@@]21O3 100436246 NJLJHIDQRZZBGL-MXBGAEMTSA-N 441.553 1.736 0 40 IDAB COc1ccc(OCCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 223659916 GFRSNFXOCBHOIO-UHFFFAOYSA-N 438.502 1.674 0 40 IDAB COC(=O)[C@H]1CN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)c2ccccc2O1 226039996 KUJTVUMNKAHMTH-LJQANCHMSA-N 432.498 1.458 0 40 IDAB CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H]1C[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O 257251333 JQIOZTFTKLBJKH-QFHJOOASSA-N 431.489 1.669 0 40 IDAB Cc1cc2nc(C)n(CC(=O)N3CC[C@@](C)(O)[C@H](n4cnc5c(N)ncnc54)C3)c2cc1C 257290052 QBJDIHHHMNLTMZ-WZONZLPQSA-N 448.531 1.908 0 40 IDAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2cc4ccccc4[nH]2)C3)n1 306125304 CMACONWESXRLIX-MRXNPFEDSA-N 426.498 1.975 0 40 IDAB O=c1c(=O)n2c(nn1C1CCCC1)CO[C@@]1(CCN(Cc3ccc4c(c3)OCO4)C1)C2 306135761 OZZRQLLLIMIQAU-JOCHJYFZSA-N 426.473 1.424 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)cc1 408590483 HKWLIDFZGKKDDT-JOCHJYFZSA-N 445.585 1.723 0 40 IDAB Cc1nn(C)cc1C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643556394 LMENDVKVROMERK-QHCPKHFHSA-N 426.517 1.861 0 40 IDAB CS(=O)(=O)CCC(=O)N1CCC[C@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 1142529126 HHIHYPMWUNTYBR-SFHVURJKSA-N 427.910 1.851 0 40 IDAB O=C([C@H]1C[C@@H](NCc2cccnc2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O)N1CCOCC1 2332241785 HKOVOJLANXCWPO-KKSHJYNMSA-N 447.539 1.953 0 40 IDAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1nccs1 3306792 NHHLTJUJCLJORB-ZZXKWVIFSA-N 438.556 1.690 0 40 IDAB CCN(C(=O)COC(=O)c1c(C)nn(Cc2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 3361460 LSCOTCXZSIRSQM-GOSISDBHSA-N 433.530 1.741 0 40 IDAB COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCC(C)CC1 6148960 NMAPKVWHIZMFHZ-HXUWFJFHSA-N 442.520 2.000 0 40 IDAB CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 9059017 HRWGUCQKYFQTLQ-NGRNXEGESA-N 433.530 1.765 0 40 IDAB biogenic CCCn1c(N)c(N(CCOC)C(=O)CN(C)[C@@H]2CCCc3ccccc32)c(=O)[nH]c1=O 9602920 KXTCPFZUAXHJSG-GOSISDBHSA-N 443.548 1.518 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(Cc4ccc(OC)cc4)c(C)cn23)n(C)c1=O 9713000 RHJUOMVSEDGQSL-UHFFFAOYSA-N 425.445 1.078 0 40 IDAB Cc1cc(C)cc(-n2c(-c3ccccc3)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1 9713259 KOOPKNDKEPCWOX-UHFFFAOYSA-N 442.479 1.908 0 40 IDAB CC(C)CN(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 9792310 LKKCUGRZMFSWHR-IIBYNOLFSA-N 433.530 1.052 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc(C)cc2)cc1 10283732 HSCSEEDEAXXSAC-UHFFFAOYSA-N 445.541 1.890 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1ccc2c(c1)OCCO2 12235974 YIASKQMAFMCFPC-AWEZNQCLSA-N 427.504 1.432 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 13074121 CIIJPNCCERKJCP-SFHVURJKSA-N 437.562 1.103 0 40 IDAB C[C@H](Oc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1)C(=O)N1CCOCC1 13566677 AQLHAKMDHJRTTP-HNNXBMFYSA-N 448.497 1.520 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)c1 15927911 BBMXJMWVCZHKJK-UHFFFAOYSA-N 429.542 1.956 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1COc2ccccc2C1 16961458 OSNCGVOPNZWXQY-INIZCTEOSA-N 432.498 1.906 0 40 IDAB CCN(CC)c1ncc2c(=O)[nH]c(C3CCN(C(=O)c4ccc(=O)n(C)c4)CC3)cc2n1 19526535 OXUYXJLDODDFLN-UHFFFAOYSA-N 436.516 1.883 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3nn(C)cc32)c1 21713954 MECOCELYIDTYTB-UHFFFAOYSA-N 449.467 1.601 0 40 IDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(N(C)CC(F)F)CC1 72308770 LTGCDRSZBCQJGC-ZDUSSCGKSA-N 430.521 1.273 0 40 IDAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)CNS(C)(=O)=O)C1 72391191 PKBWJGOSAAQOST-NRFANRHFSA-N 449.598 1.862 0 40 IDAB O=C(CCN1CC[C@@H](OCCN2CCOCC2)C1)N1CCN(c2ccc(F)cc2)CC1 84405211 MFZUDWACRXNDDO-JOCHJYFZSA-N 434.556 1.288 0 40 IDAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102842524 WDFWARVILOCNKT-ROUUACIJSA-N 433.530 1.995 0 40 IDAB COC(=O)COc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1OC 108094451 LTOATQISCDDQBA-ZROIWOOFSA-N 444.396 1.720 0 40 IDAB COc1cc(=O)n(C)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 225649471 CHYXGFKKCKONIX-UHFFFAOYSA-N 443.485 1.854 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)Cn3c(C)nc4cc(C)c(C)cc43)CC[C@@H]2O)CC1 257218045 DBQHBWXNQYHFBT-GMAHTHKFSA-N 441.576 1.478 0 40 IDAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O 408653079 HTAPFFJFEWUTJS-INIZCTEOSA-N 439.468 1.987 0 40 IDAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O 408662671 XJAKNJBHLDHSON-MRXNPFEDSA-N 439.468 1.987 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3[C@@H](C)COC[C@H]3C)C2)cc1 953230 NJSGWSPPWVWJHU-XHSDSOJGSA-N 439.534 1.901 0 40 IDAB O=C(c1ccc(NCN2C(=O)CCC2=O)cc1)c1ccc(NCN2C(=O)CCC2=O)cc1 1622916 NZYORHOGNSGAKC-UHFFFAOYSA-N 434.452 1.954 0 40 IDAB O=S(=O)(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3343726 SOEFEUAERZUSNF-UHFFFAOYSA-N 442.490 1.292 0 40 IDAB CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 3557175 FYVJRVYZRVAMPB-UHFFFAOYSA-N 431.514 1.671 0 40 IDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4144556 CNTRBPTXINOXHT-UHFFFAOYSA-N 446.920 1.527 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3CCc2ccccc2)n(C)c1=O 5461389 XNVBCYJMGHGXNM-OAHLLOKOSA-N 425.489 1.159 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(I)cc2)cc1 8878767 FHVFYNMPJZYPKN-UHFFFAOYSA-N 430.267 1.911 0 40 IDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)c1ccc3c(c1)NC(=O)CO3)C2=O 10761927 QTVDSTIGLFTFKV-QKVFXAPYSA-N 429.429 1.244 0 40 IDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 12508140 SNZRLRFTRLUWOO-GFCCVEGCSA-N 445.501 1.302 0 40 IDAB CCN(C(=O)CN(C)Cc1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13037939 FNFZJMKZUXRDQS-UHFFFAOYSA-N 439.491 1.791 0 40 IDAB COCCNC(=O)[C@H](c1ccncc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13509271 ISSIKFQWXIBZQG-QFIPXVFZSA-N 448.483 1.952 0 40 IDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]12 18169803 PEGQUHIGERVKBN-ZJUUUORDSA-N 433.774 1.042 0 40 IDAB Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)c1 19234776 AAVPVOAVLUPEQK-UHFFFAOYSA-N 439.541 1.866 0 40 IDAB O=C(N[C@H]1CCCOC1)c1cc(C2CCN(S(=O)(=O)CCc3ccncc3)CC2)no1 19405121 JHYQCVMLSSLTEV-SFHVURJKSA-N 448.545 1.730 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)Cc3ccc(OC)cc3)C1)C2=O 19700811 JRPMJHQDJQVMRC-SFHVURJKSA-N 428.533 1.635 0 40 IDAB CC(=O)NCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)C3)C1 19743886 CTNLHBMTQIWGQO-QGZVFWFLSA-N 439.491 1.856 0 40 IDAB COc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 19991428 IXJGMUOPNROQSY-UHFFFAOYSA-N 447.557 1.729 0 40 IDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 20032288 SCTFWYMBUPMZHD-QGZVFWFLSA-N 443.591 1.149 0 40 IDAB COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 21011190 GNVOUTFZKSYJHK-UHFFFAOYSA-N 448.486 1.992 0 40 IDAB CCc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)s1 21149734 ZMZOKOIJLQUIPO-UHFFFAOYSA-N 436.538 1.932 0 40 IDAB CN1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccc(F)cc2)CC1 22795138 WDCBBGZJSWUJEU-LJQANCHMSA-N 435.521 1.864 0 40 IDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1 23819044 RXQSGRJRQVOUEF-OAQYLSRUSA-N 448.401 1.934 0 40 IDAB COc1ccccc1C(=O)OCCN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 28630248 PZYBDXXVXPRVHH-UHFFFAOYSA-N 429.498 1.619 0 40 IDAB CCS(=O)(=O)NCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 32824286 DMNJPPKUQQHATA-UHFFFAOYSA-N 425.532 1.465 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H](C(=O)Nc4ccccc4)C3)nc2)CC1 32853566 NDBNFKCAKLTVRI-GOSISDBHSA-N 443.573 1.873 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 34808369 FYEFTAXZMDGBPL-YEJXKQKISA-N 444.484 1.701 0 40 IDAB biogenic COCCNC(=O)c1nnn(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)n1 71002429 VUIWANLSXWCJNE-UHFFFAOYSA-N 435.238 1.646 0 40 IDAB Cc1oc(C)c(C(=O)NS(=O)(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1C 72310702 WPEIOZJBWKSZCE-UHFFFAOYSA-N 429.539 1.817 0 40 IDAB Cn1nc(N2CCC[C@H](C(=O)NCCn3nc(-c4cccs4)ccc3=O)C2)ccc1=O 77100965 OVEWIFKIOUUYIY-HNNXBMFYSA-N 440.529 1.098 0 40 IDAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 95101153 HLORHOWZWQKXIN-SSTMJMPPSA-N 434.529 1.433 0 40 IDAB COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 96223755 LXTTVAGZZSIRSB-SFHVURJKSA-N 431.489 1.350 0 40 IDAB CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 107540032 RKYINZCAYGIIIB-PXNSSMCTSA-N 438.571 1.251 0 40 IDAB CN1C(=O)CO[C@H](C(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)[C@@H]1c1ccccc1 223157164 QLZGDXAWTRKJFP-PMACEKPBSA-N 431.514 1.615 0 40 IDAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224325172 FERHDPJBBVSVKG-UHFFFAOYSA-N 439.541 1.977 0 40 IDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224334468 BRCKFFHLAPDLOK-UHFFFAOYSA-N 425.461 1.102 0 40 IDAB Cc1ccccc1N(CC(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O 224713324 PESGJNUSZDXSAU-UHFFFAOYSA-N 431.558 1.910 0 40 IDAB COc1cccc(-c2noc(CNC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)n2)c1 224787733 LZDOFFSVYHDVKN-GOSISDBHSA-N 430.486 1.994 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NC[C@H]2CCCO2)cc1 245039160 OIMMMHOBHQVJNK-QZTJIDSGSA-N 437.562 1.340 0 40 IDAB O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 306123025 ACPRYIZKPZEQRE-GOSISDBHSA-N 443.525 1.439 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3cnn(C(C)C)c3)C2)cs1 306123361 AKYSGPMEUKTPDO-OAQYLSRUSA-N 441.561 1.543 0 40 IDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCN2CCOCC2)cc1Cl 408606218 OGTBHXRNEFJEIE-AWEZNQCLSA-N 433.958 1.244 0 40 IDAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1OCC(=O)O 409188812 ARTRPOYNXVQWBH-BJMVGYQFSA-N 446.197 1.676 0 40 IDAB COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 516577922 WTUQFZDVUPVDOF-SUMWQHHRSA-N 434.518 1.400 0 40 IDAB O=S1(=O)C[C@@H](O)[C@@H](N(c2cccc(O)c2)S(=O)(=O)c2ccc3ccccc3c2)C1 575420548 CNNCFKSPAONHOH-VQTJNVASSA-N 433.507 1.899 0 40 IDAB O=C(CN1CC[C@@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2)N1CCCC1 585101718 BBUADQIKOBRECK-JOCHJYFZSA-N 426.496 1.709 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2ccc(F)cc2N1 641892251 ICSDVKFUBJWGLI-MRXNPFEDSA-N 425.416 1.965 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)CC1 784318 AGLPEPWRQTZUEN-UHFFFAOYSA-N 432.926 1.916 0 40 IDAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O[C@H](C)C(=O)NC(N)=O 2664522 KIYDUIHGLGEIQQ-LLVKDONJSA-N 425.397 1.232 0 40 IDAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 3486968 QQAVXMKEJDACKJ-UHFFFAOYSA-N 434.503 1.358 0 40 IDAB CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)c4ccncc4)c(=O)n2C3)CC1 4259192 QGPGZHNGWBUFFE-PKOBYXMFSA-N 435.528 1.926 0 40 IDAB biogenic,in-vitro Cc1nnc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2C)s1 6088959 PWCSNZYKWQTOMH-UHFFFAOYSA-N 439.548 1.744 0 40 IDAB CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCOCC3)CC2=O)cc1 9197234 ADNJPQSXQJBPMC-QGZVFWFLSA-N 437.562 1.709 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC(=O)Nc4ccccc43)C2=O)cc1OC 9454833 DUOQHURXDZMZCJ-JOCHJYFZSA-N 438.440 1.456 0 40 IDAB CCN1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1 9630065 SKZLNCKXCJEZBX-UHFFFAOYSA-N 425.507 1.777 0 40 IDAB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(OC)cc1 10385766 BLCBPCTYBRAKEW-OAHLLOKOSA-N 445.520 1.484 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 12877959 ZSWNWNNPTANCAL-QFIPXVFZSA-N 430.505 1.923 0 40 IDAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 12880369 CJZDWWVWXCKYAQ-IBGZPJMESA-N 444.601 1.679 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 12933796 MJLKPHANPHQCNA-MAUKXSAKSA-N 428.532 1.313 0 40 IDAB COCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699769 OZZQPWBKDVGJAX-IBGZPJMESA-N 428.533 1.253 0 40 IDAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCN(C(=O)CN3CCOCC3)C2)nc1C 19766114 YXMJCIKLWXYBRP-QGZVFWFLSA-N 439.516 1.694 0 40 IDAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)NC[C@H]2CCCO2)s1 20486135 RVELTOKXBAMYBM-ZIAGYGMSSA-N 426.520 1.792 0 40 IDAB CN1CCN(CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 22933448 ICMMWUUBEUXCNM-UHFFFAOYSA-N 437.393 1.513 0 40 IDAB Cc1csc(=O)n1CCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 23747237 DUVOJVZELXOEPO-UHFFFAOYSA-N 439.559 1.336 0 40 IDAB O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23956761 ZBXKNZJUJIZMCT-AWEZNQCLSA-N 443.554 1.698 0 40 IDAB CC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 24755661 KKAVOJBLRGPULH-UHFFFAOYSA-N 436.578 1.496 0 40 IDAB COC(=O)[C@H](CN1CCN(c2ccccc2)CC1)[C@@](O)(c1nccn1C)C(F)(F)F 24927235 IRRDDUWDHNSBTL-QFBILLFUSA-N 426.439 1.781 0 40 IDAB CCOC(=O)c1sc(NC(=O)CNCCCN2CCOCC2)c(C(=O)OCC)c1C 25389191 BACXVDLCAIGUJT-UHFFFAOYSA-N 441.550 1.660 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc(C)ccc2OC)c1=O 32958161 PIXOHBBSYAFKPL-UHFFFAOYSA-N 445.520 1.185 0 40 IDAB CCCCCn1nc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c2ccccc2c1=O 35310636 SLGXUNYQCCQQHZ-UHFFFAOYSA-N 425.533 1.623 0 40 IDAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C2)cc1 35311642 GPNVKALVBRTZGL-UHFFFAOYSA-N 435.571 1.981 0 40 IDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 35392779 HSQHBKMCDYTJJU-UXHICEINSA-N 433.574 1.247 0 40 IDAB CCCN1C(=O)[C@]2(N=c3ccccc3=C(O)N2CCCN2CCOCC2)c2ccccc21 36357543 CLPNRNATXVMMGF-VWLOTQADSA-N 434.540 1.577 0 40 IDAB Cn1c(Cc2cccs2)nnc1SCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 36385500 JEBXCRLRKYHKPA-UHFFFAOYSA-N 448.618 1.326 0 40 IDAB Cc1cc(C)n2nc(CC(=O)Nc3cc(C(C)(C)C)nn3[C@H]3CCS(=O)(=O)C3)nc2n1 40089943 IOURGZHYIFCFNY-AWEZNQCLSA-N 445.549 1.776 0 40 IDAB COc1ccc(CCN2C(=O)c3ccc(C(=O)NCCN(C)C)cc3C2=O)cc1OC 40267810 PODDEQOAEYQRGU-UHFFFAOYSA-N 425.485 1.834 0 40 IDAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCC(=O)N[C@H]3CCS(=O)(=O)C3)c12 48287711 FEBQMAWAPLUZJI-LBPRGKRZSA-N 446.460 1.370 0 40 IDAB CCCN(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)[C@@H]1CCS(=O)(=O)C1 49643430 VNISTAFPFJQAFP-QAPCUYQASA-N 446.529 1.057 0 40 IDAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCCC1 58135911 XSNRLDWSOVBAHO-UHFFFAOYSA-N 427.592 1.720 0 40 IDAB COCc1cc(=O)n(CC(=O)Nc2cccc(Br)c2)c(N2CCOCC2)n1 67219861 KVYVXAVZOXMSPP-UHFFFAOYSA-N 437.294 1.628 0 40 IDAB COc1ccc2c(c1)NC1(CCN(C(=O)CCc3cc(Cl)no3)CC1)NS2(=O)=O 72327963 VNXXAKYXAGRGBI-UHFFFAOYSA-N 440.909 1.992 0 40 IDAB O=C(NC[C@H](c1ccco1)N1CCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 89794417 CDXXPWQTDPUNHN-DOTOQJQBSA-N 436.534 1.088 0 40 IDAB Cc1ccc(CN2CCC[C@]3(C(=O)N4CCOCC4)CN(Cc4cnn(C)c4)C[C@@H]3C2)o1 96056191 AENXPACNGRJRIH-URXFXBBRSA-N 441.576 1.895 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)c2cccs2)sc2cc(S(N)(=O)=O)ccc21 100877452 CUAWPFOVKLLKJK-VLGSPTGOSA-N 425.513 1.716 0 40 IDAB CN1CCN(Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccccn3)cn12 107189370 BYCVBLUNALLTLC-NRFANRHFSA-N 442.527 1.938 0 40 IDAB CN(c1cccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1)S(C)(=O)=O 222416794 WSWJBMRQBJXTGV-UHFFFAOYSA-N 437.543 1.536 0 40 IDAB COC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 223278304 CNOCRRSWELHFHR-UHFFFAOYSA-N 438.527 1.477 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 225199662 RQLYOYQWJMKGNQ-INIZCTEOSA-N 445.541 1.819 0 40 IDAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3F)C2)C(=O)N1Cc1ccccc1F 225390314 WYZGIZDMVLJYCU-XLIONFOSSA-N 427.451 1.523 0 40 IDAB biogenic,in-vitro COc1ccc(Cl)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1 238852932 JQPIOZJGZPNCME-UHFFFAOYSA-N 448.954 1.167 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)NCCN2c3ccccc3N(C)S2(=O)=O)cc1 253473116 RLJFDQHJAIWOEA-UHFFFAOYSA-N 440.503 1.344 0 40 IDAB Cc1nc([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)nc2c1CC(=O)N2CCc1ccccc1 257202840 ANQUYCXBOVYPCK-LJQANCHMSA-N 447.539 1.855 0 40 IDAB COCCOc1cc(CN2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OC 257220331 DKKLONUPHSDHFE-DAVBRLECSA-N 436.549 1.729 0 40 IDAB CNc1nc([C@H]2CCN(C(=O)COc3ccccc3F)C2)nc2c1CN(C(C)=O)CC2 257234633 GULQCXYSOAKMTN-HNNXBMFYSA-N 427.480 1.957 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3cc(-c4ccc(F)cc4)on3)[C@H]2O)CC1 257247930 JBFHHUUJOKHIEM-YFVAEKQCSA-N 430.480 1.657 0 40 IDAB Cn1ccc(NC(=O)CN2CCC[C@@H]2c2ccnc3c(C(=O)NC4CCCC4)cnn23)n1 257331164 XRRFBQNCBROUKX-QGZVFWFLSA-N 436.520 1.911 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)CCC32CCN(C(=O)c3ccncc3)CC2)cs1 306133649 MRYWSIGKARUBQG-UHFFFAOYSA-N 438.513 1.191 0 40 IDAB C[C@H](C(=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)n1nc(C2CC2)ccc1=O 575621616 ZSAJUOMEPVUGJG-CQSZACIVSA-N 437.500 1.576 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5ccc(OC)c(F)c5)C[C@H]4C3)nn12 1888941753 QTCWYIULPDPUTP-OKILXGFUSA-N 446.508 1.591 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)cc1 3247983 PJCBQTBXTGGKBE-XBXARRHUSA-N 429.248 1.885 0 40 IDAB COc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2sccc2C(N)=O)C(C)C)cc1 3378394 QGAWZMSMLKWAED-INIZCTEOSA-N 433.486 1.792 0 40 IDAB COCCNC(=O)[C@H](c1ccccc1)N(CCOC)C(=O)Cn1nnc2ccccc21 4876030 QHRQXUASTIFPGV-NRFANRHFSA-N 425.489 1.410 0 40 IDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)CNC(=O)COc1ccccc1 8724896 IBRUPKVNOMKLSE-MRXNPFEDSA-N 438.484 1.404 0 40 IDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 9255214 ZWGZTBNUSBMQQD-HNNXBMFYSA-N 444.513 1.397 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(=O)n(C)n2)c1 9285854 VCHRUIBIVQLJJW-UHFFFAOYSA-N 433.534 1.663 0 40 IDAB O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCOCC1)Cc1ccccn1 9305813 GLWJSCKGFCTLGK-UHFFFAOYSA-N 442.925 1.346 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12 10282516 DCSHLHVOLJPTBE-HNNXBMFYSA-N 443.529 1.297 0 40 IDAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CNC(=O)c1ccc2c(c1)OCO2 10707612 JPCUFTXUNLSADY-UHFFFAOYSA-N 447.513 1.289 0 40 IDAB CCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC[C@@H]2CCCO2)cc1 12137105 BDBNHRYTTBNGFS-IRXDYDNUSA-N 449.529 1.013 0 40 IDAB COc1ccc(OC)c(/C=C2/SC(=O)N(CCC(=O)N[C@@H]3CSC[C@@H]3O)C2=O)c1 12321936 KIWVNOHTHHVOLH-ZJSXCKLASA-N 438.527 1.723 0 40 IDAB C[C@@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 12799812 OSQQNUBCRASNPB-NSHDSACASA-N 435.333 1.240 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCNC(=O)c2ccccc2)cc1 12821166 LTLBYJAMCYAHOU-HXUWFJFHSA-N 447.557 1.934 0 40 IDAB O=C1CCCN1Cc1nn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(=S)o1 13095739 SQJTTWWUMQCPSN-UHFFFAOYSA-N 437.547 1.292 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 14235764 DPUUEJASJNPHMA-IAGOWNOFSA-N 445.607 1.470 0 40 IDAB O=C(NCCCN1CCOCC1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@]23C=C[C@H]1O3 15905356 ZBDPUCXJZDSDJN-JPAWQOSXSA-N 431.920 1.465 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)[C@@H]3CC34CCC4)C1)C2=O 19699601 POKVSEBHNJILJD-IRXDYDNUSA-N 430.549 1.737 0 40 IDAB COc1ccc(CN2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)c(OC)c1OC 20994087 XLVVMAHLVPKQBL-UHFFFAOYSA-N 441.484 1.965 0 40 IDAB Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc1C 21604204 PTECKZRNEFZCFY-ZOBUZTSGSA-N 426.535 1.274 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)Nc4cccc(OC)c4)c(=O)c3s2)CC1 21886443 GTQDZJMOEDEGQK-UHFFFAOYSA-N 428.518 1.642 0 40 IDAB CC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 22282787 CZMIOMVFIIXEGS-UHFFFAOYSA-N 429.473 1.644 0 40 IDAB Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 22384990 SBJYMNDRCFSUEU-JTQLQIEISA-N 445.419 1.712 0 40 IDAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(CC(=O)N2CCCCCC2)CC1 23247990 JGCJAUSVWSWPCT-SFHVURJKSA-N 427.549 1.380 0 40 IDAB COc1cc(OC)nc(NC(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)n1 40068601 NTMWLTCQVCOMLW-FQEVSTJZSA-N 425.401 1.646 0 40 IDAB CN(CCCNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)S(C)(=O)=O 40099008 WWVQDOAETXVLTL-UHFFFAOYSA-N 438.472 1.945 0 40 IDAB COCc1nn2c(nnc3c(=O)n(N4CCN(C)CC4)ccc32)c1-c1ccc(Cl)cc1 40396141 VENPHFHVYTXRAG-UHFFFAOYSA-N 439.907 1.789 0 40 IDAB O=C(COc1coc(CN2CCOCC2)cc1=O)N1CCN(Cc2ccccc2)CC1 49544003 FIORSMNFQNNKAN-UHFFFAOYSA-N 427.501 1.195 0 40 IDAB COCc1cc(=O)n(CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c(N2CCOCC2)n1 67319477 SDXBXXYYCWWEFJ-OAHLLOKOSA-N 446.504 1.121 0 40 IDAB NC1=C2C(=O)Oc3cc(O)ccc3[C@H]2[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]2S1 79476751 LBTMGQXXYSQZIH-LZWOXQAQSA-N 438.417 1.568 0 40 IDAB Cc1c(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 101875028 YVBUSFOMMUZDBT-UOVPBQLFSA-N 435.484 1.413 0 40 IDAB aggregator COc1ccc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 224548535 LILLUEKNHWLDOC-UHFFFAOYSA-N 447.557 1.610 0 40 IDAB CCc1nc2ccccc2n1CCC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(O)nc2=O)C1 257202547 AMHDHWXAYOFZCG-VGOFRKELSA-N 425.489 1.476 0 40 IDAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3cc(-c4ccc(C)cc4)on3)[C@H]2O)CC1 257204277 ATUKNQHRTGODFG-KCZVDYSFSA-N 426.517 1.778 0 40 IDAB CC(=O)NC1CCN(C[C@@]2(O)CCN(Cc3ccc(OCc4nccn4C)cc3)C2)CC1 257307919 TUSQTYZGLAWCAY-DEOSSOPVSA-N 441.576 1.536 0 40 IDAB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 504664415 JDNBUCYFCINGLN-AVDZWTPASA-N 432.480 1.494 0 40 IDAB biogenic CCCCN(CC(=O)CN(CCCC)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 575420578 CGRLUQHATSOVDH-ROUUACIJSA-N 436.640 1.134 0 40 IDAB COC(=O)Cc1csc(NC(=O)N2CCN(CC(=O)Nc3ccccc3OC)CC2)n1 611000692 DHLRIYWWNVSYNM-UHFFFAOYSA-N 447.517 1.655 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCC1 4554034 KTTSGTUWNHQYGX-QGZVFWFLSA-N 425.526 1.934 0 40 IDAB O=C(C1CCN(c2ncccn2)CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9486064 CWMRNUOWBFHZDP-HXUWFJFHSA-N 437.500 1.204 0 40 IDAB CCN(CC)CCCNC(=O)CCCCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O 9589674 QHUXIHCMBQBSMJ-UHFFFAOYSA-N 446.548 1.885 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)cc1 9782945 WHPGKRWRGBMGDK-UHFFFAOYSA-N 440.525 1.628 0 40 IDAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCCc1ccccc1)CS(=O)(=O)C2 10250602 BRZIXPFVBJUJEV-UHFFFAOYSA-N 438.509 1.907 0 40 IDAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)c(OC)c1 12029796 AABHLNIFXUNHBC-INIZCTEOSA-N 439.511 1.917 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 12887640 YEYVQCQRSAYFSN-UHFFFAOYSA-N 433.555 1.979 0 40 IDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2nnc(-c3ccsc3)n2)CC1 12904827 KVLOJKFKNGRVKJ-UHFFFAOYSA-N 439.545 1.801 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCCc2c1cnn2C 12974636 XGEDWBRVRMTMJQ-UZLBHIALSA-N 448.545 1.688 0 40 IDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 13041020 XEUWYPMUXHIQGH-UHFFFAOYSA-N 444.561 1.412 0 40 IDAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN3C(=O)C3CCN(C(C)=O)CC3)c2N)cc1 19016738 GPOVNLMRAYPBQI-HXUWFJFHSA-N 439.516 1.895 0 40 IDAB COC(C)(C)C(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 19693029 YKSDZRUABCOUDP-KRWDZBQOSA-N 427.505 1.633 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc(C3CCN(C(=O)c4cnccn4)CC3)nc2n(C)c1=O 19744812 NSHWMQVZUWYLCS-UHFFFAOYSA-N 448.405 1.461 0 40 IDAB O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3F)CC2)CCN1 19745768 RUJUXCRNMKHFNK-OAQYLSRUSA-N 444.551 1.420 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccc2c(c1)OCCO2 20037184 QWEYHZSGBZPSQS-UHFFFAOYSA-N 442.497 1.726 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1nc(N)nc(Nc3ccccc3)n1)C2=O 20067422 INWUYZYDBFASQN-ASSNKEHSSA-N 439.476 1.741 0 40 IDAB CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)CC1 22610225 CYPOBJFUGCLTMM-AWEZNQCLSA-N 439.472 1.842 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCCN(C(C)C)C(C)C 22622990 OZIOPLNTBCCQJJ-FQEVSTJZSA-N 441.594 1.996 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCN(C)CC2)cc1 22778508 YVURBCGLJKFUMG-NRFANRHFSA-N 426.517 1.747 0 40 IDAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2C)no1 24601626 YDEQRNGRDFHYLD-VZSQWMKGSA-N 432.546 1.735 0 40 IDAB Cc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325566 LMUALYREVFXCQN-KRWDZBQOSA-N 430.530 1.556 0 40 IDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 35278885 DORKSOLEGDSYEU-UHFFFAOYSA-N 434.562 1.354 0 40 IDAB O=C(CN(Cc1cccs1)C(=O)CN1C(=O)COc2ccccc21)NC[C@@H]1CCCO1 35312444 YEIRZTAPZFBRCX-INIZCTEOSA-N 443.525 1.798 0 40 IDAB COC(=O)c1ccccc1NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 40149928 ZPLIXGXONOAGBX-UHFFFAOYSA-N 428.470 1.772 0 40 IDAB CN1CCCN(c2ccc(CNC(=O)Nc3ccc(N4CCOCC4)nc3)cn2)CC1 58087816 FJLLJESMOOUZBH-UHFFFAOYSA-N 425.537 1.777 0 40 IDAB O=C(Nc1cccc(OCC(=O)N2CSC[C@H]2C(=O)NCC(F)(F)F)c1)C1CC1 70019548 QSAOMDNOZZQBHT-AWEZNQCLSA-N 431.436 1.994 0 40 IDAB COc1ccc(NC(=O)CN2CCC[C@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cc1 72380724 VCZLHJWLGYVKPE-INIZCTEOSA-N 427.505 1.709 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@@H]4OCCN(C)[C@@H]4C3)ccc2C)cc1 89651311 DNJALXHLHKTVCD-UXHICEINSA-N 445.541 1.959 0 40 IDAB CC(C)Oc1ccc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)cc1 96114748 JGLBSWILFXSFBG-UHFFFAOYSA-N 430.409 1.956 0 40 IDAB biogenic CN(Cc1ccccn1)C(=O)C1=NO[C@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1 96225924 PPPBNPXYXCOZOG-HXUWFJFHSA-N 432.477 1.789 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2ccccc2)c2sc(=O)[nH]c2S[C@H]31 100531345 GBYMFODZINXBOP-MSXXSLDFSA-N 442.518 1.994 0 40 IDAB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(C)cc1C 101170398 SNSYWTDXYZISJL-UFYCRDLUSA-N 437.445 1.600 0 40 IDAB COCCNC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 101471011 HGRLBDKUJRMARY-YESZJQIVSA-N 425.551 1.039 0 40 IDAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCCSc1ncn[nH]1 225996308 XVDATWWRATWQJT-UHFFFAOYSA-N 431.543 1.904 0 40 IDAB CCn1ccc(C(=O)N2CCN(C)[C@@H](C(=O)N3CCC(Oc4ccccn4)CC3)C2)n1 257209929 BSLOAZHIGJXUGW-LJQANCHMSA-N 426.521 1.124 0 40 IDAB CC1=NNC(=O)[C@@H]1CCC(=O)N1CCC2(CC1)CO[C@@H]([C@@]1(C)CC[C@H](O)C(C)(C)O1)C2 257243020 IFEMTHCHBVSTQV-WYADAEROSA-N 435.565 1.995 0 40 IDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)[C@@H]2Cc4ccccc4O2)C3)n1 306125060 CFYIUKHOEFMEOS-WMZOPIPTSA-N 429.498 1.183 0 40 IDAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NCCc2sc(C)nc2C)cc1 550145416 DJUSAZZUDKZUKV-IBGZPJMESA-N 430.574 1.917 0 40 IDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(CCCCCC(=O)O)[C@@H]1CCS(=O)(=O)C1 575426355 RUALOVYKBFSESP-OAHLLOKOSA-N 447.531 1.516 0 40 IDAB COc1ccc(-n2nnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 3501671 GEPRHKZUNGPEHH-UHFFFAOYSA-N 442.457 1.883 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 4272305 NPZKXLBZMSFXQD-QGZVFWFLSA-N 426.517 1.283 0 40 IDAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)Cc1ccccc1 8825033 YCFBEJNYKATUOE-QGZVFWFLSA-N 446.525 1.911 0 40 IDAB CCC(=O)N(c1nnc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)s1)C1CC1 9672191 WFDCYNUTUJSFRR-UHFFFAOYSA-N 449.562 1.373 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)Cc1ccc(OC)c(OC)c1)n2C 9951061 CYWQGEZDVFPPDA-UHFFFAOYSA-N 430.461 1.527 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)ccc1OC 10008819 VPOMRYASIBFQIJ-UHFFFAOYSA-N 427.504 1.251 0 40 IDAB CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ncccn2)c1 10843047 HXHCEKWTDGHWHM-SNVBAGLBSA-N 428.854 1.496 0 40 IDAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 11858252 LOYLQDITCXWHBF-LBPRGKRZSA-N 437.499 1.758 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)N3CCCCCC3)CC1)O2 12087086 KDSFXIDNYNNWKA-QHCPKHFHSA-N 429.517 1.971 0 40 IDAB CCn1cc([C@@H]2C[C@H](C(=O)Nc3ccc(OC)c(OC)c3)N(C)S(=O)(=O)N2)c(C)n1 12130419 VUWHDQQDMDUAHG-JKSUJKDBSA-N 437.522 1.447 0 40 IDAB O=C(NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1cc2ccccc2o1 12164578 JASZERXDWWMWDY-UHFFFAOYSA-N 429.502 1.495 0 40 IDAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 12973538 SKTSTCJNJKMZRK-UHFFFAOYSA-N 428.408 1.734 0 40 IDAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14202265 MPSGXAQRPDGNSS-LLVKDONJSA-N 431.923 1.646 0 40 IDAB CCOC(=O)N1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)CC1 16047553 FCPVUOJUMBMCLO-UHFFFAOYSA-N 438.488 1.500 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)[C@@H](C)Cn3cccn3)CC1)C2=O 19700667 OHXSMKVAOBXNRH-SFHVURJKSA-N 444.580 1.554 0 40 IDAB CCN(CC)S(=O)(=O)N1CCCC[C@@H]1c1nc(CN(C)C(C)=O)cc(N(C)C)n1 19709908 CKSUOWSLQOFJRZ-QGZVFWFLSA-N 426.587 1.635 0 40 IDAB Cn1nc2c(c1C(=O)N[C@H]1CCc3ccc(S(=O)(=O)N4CCOCC4)cc31)CCCC2 19749502 YAGOIMBQMYYGNU-IBGZPJMESA-N 444.557 1.737 0 40 IDAB CC(C)N1CCC(NC(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)CC1 19751337 QJXAAGAGDSERNS-UHFFFAOYSA-N 428.508 1.906 0 40 IDAB COCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O 19822792 UCPOQSOWBIRMSK-UHFFFAOYSA-N 432.590 1.882 0 40 IDAB C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C[C@H](C)O1 20533338 RILZXQYWXZEAHV-KBPBESRZSA-N 431.924 1.745 0 40 IDAB COc1ccccc1CCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C 20744284 WIAXNKYRGCUCEG-UHFFFAOYSA-N 431.514 1.841 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(CS(C)(=O)=O)cc2)C1=O 23945907 RYMNFIMOFALWKJ-NRFANRHFSA-N 429.498 1.819 0 40 IDAB Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 24528101 MIDVCVLLAMILID-UHFFFAOYSA-N 426.926 1.163 0 40 IDAB O=CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 26110298 BXQJTGRWKNIHKE-OAHLLOKOSA-N 448.372 1.836 0 40 IDAB C[C@@H]1CCC[C@H](N2C[C@H](C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)CC2=O)[C@@H]1C 34872603 NDDRUJYRSUTKHP-NNFUDEMPSA-N 438.546 1.929 0 40 IDAB CC(C)CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 40002609 HQSNKALIHSJOSX-LBPRGKRZSA-N 438.413 1.978 0 40 IDAB COc1ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc1[C@]1(C)NC(=O)NC1=O 48303842 ZCAQSDIOQDFQPA-IBGZPJMESA-N 426.539 1.147 0 40 IDAB O=C(NCc1cc(F)ccc1Br)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 59799047 ZEOBBKPZXBILPT-GFCCVEGCSA-N 446.298 1.370 0 40 IDAB O=C(Cn1ccc2ccc(Br)cc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 61718185 PZQHROQHKBVWRB-INIZCTEOSA-N 440.363 1.735 0 40 IDAB CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCC(C(N)=O)CC4)ccn3n2)cc1 67262475 RBHNPJLQVKIFTR-UHFFFAOYSA-N 437.500 1.676 0 40 IDAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 71818933 XLFMQWRYWBHHCP-KBMXLJTQSA-N 430.892 1.863 0 40 IDAB COCCNC(=O)CN1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352315 OQXNFTYUXCKDJE-MRXNPFEDSA-N 431.558 1.926 0 40 IDAB CC1(C)OC(=O)C(=C2[C@@H]3[C@@H]4C(=C5C(=O)OC(C)(C)OC5=O)[C@H]5[C@H]6C[C@H]([C@@H]25)[C@@H]3[C@H]64)C(=O)O1 100932771 NGQONMCYYIFSHF-SZMWVSSPSA-N 426.421 1.640 0 40 IDAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)no1 102643097 QOSWDRZTTNOLKS-HACTYUDJSA-N 437.452 1.890 0 40 IDAB CN(C)C(=O)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(C(=O)c1ccccc1)CC3 306134596 NTBYYLFBACVZNK-UHFFFAOYSA-N 435.528 1.762 0 40 IDAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2c[nH]c4ccccc24)C3)n1 306143608 YGTFPNYTXOPOTG-OAHLLOKOSA-N 426.498 1.975 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(OC)c1 408658425 KVOJIMOASWLOCS-YMJGMLMDSA-N 430.457 1.605 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)c(C)c2)cc1 408674542 AECBSJSQFOZIOB-UHFFFAOYSA-N 433.530 1.957 0 40 IDAB COCCn1cnc2ccc(NC(=O)C[C@@H](c3ccsc3)n3cnnn3)cc2c1=O 524735385 ZFJUKIKWIGFCQK-KRWDZBQOSA-N 425.474 1.709 0 40 IDAB O=C(C[C@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CCN(Cc2cccnc2)CC1 526052628 XQPQSXFKRYJJET-QGZVFWFLSA-N 447.417 1.658 0 40 IDAB COCCO[C@@H]1CCCN(C(=O)c2cncc(C(=O)N3CCC[C@@H](OCCOC)C3)c2)C1 559058726 RKJRIYXHTUUGFK-NHCUHLMSSA-N 449.548 1.617 0 40 IDAB CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 575424235 UEWKQQPWAZPDAJ-INIZCTEOSA-N 426.516 1.294 0 40 IDAB COc1ccc(Br)c(C(=O)NCc2nc(OC)nc(N3CCOCC3)n2)c1 575603358 FIPIEKRGFZLVLY-UHFFFAOYSA-N 438.282 1.418 0 40 IDAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1 575616619 UBCNNOWCEXLJJA-UHFFFAOYSA-N 446.595 1.078 0 40 IDAB CC(=O)OC[C@@]1(CC(=O)N2CCOCC2)CCCN1C(=O)CCc1cc(Cl)no1 643586911 KMTAQDFSANYXSY-IBGZPJMESA-N 427.885 1.434 0 40 IDAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(CC3CCCCC3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242152 KZCHGWCUECUGBZ-UFYCRDLUSA-N 433.597 1.454 0 40 IDAB COc1ccc(C(=O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC 2376731 QWRZELQEPUGJSO-UHFFFAOYSA-N 441.488 1.324 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC2CCCC2)ccc1F 3027811 NDJBPOPBRCOGPM-KRWDZBQOSA-N 427.498 1.046 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 8987094 AZDJELKMROKCFI-GOSISDBHSA-N 428.474 1.463 0 40 IDAB O=C(O)Cn1c(=O)c2c3c(sc2n(CC(=O)NCc2ccccc2)c1=O)CCCC3 9410697 XDLXPSVCMBLGDR-UHFFFAOYSA-N 427.482 1.505 0 40 IDAB COCC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 9444343 JYNWGJJSOIYQOD-UHFFFAOYSA-N 435.502 1.918 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)c(Cl)c2)n(C)c1=O 10102291 ZJCMGLACKQXHKA-UHFFFAOYSA-N 433.852 1.274 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N1 10231874 KADYKDWPMSIUME-KRWDZBQOSA-N 436.384 1.915 0 40 IDAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1ccco1)N(C)C 11997763 SYHPBCYHTYINCP-OAHLLOKOSA-N 441.531 1.236 0 40 IDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 12380071 WZRCDLPEIZROLC-VDNWNZSNSA-N 443.408 1.163 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1C 12821188 VSGVMBHXMNVJQJ-OAQYLSRUSA-N 444.513 1.422 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CCC(=O)O)C(=O)O 12889936 FOYFLALCUWRAIR-ZUCKAHLUSA-N 434.449 1.004 0 40 IDAB biogenic C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O 13164616 GVTMGPSQYXAJBC-FPTDNZKUSA-N 439.424 1.139 0 40 IDAB O=C(CN1CCN(C(=O)c2ccccc2Cl)CC1)NN1C(=O)NC2(CCCCC2)C1=O 14184292 ZUBQVYRUXUIPDK-UHFFFAOYSA-N 447.923 1.384 0 40 IDAB Cc1ccn(CCC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)n1 19238079 AJJIXHOFJYGMIN-LJQANCHMSA-N 438.532 1.713 0 40 IDAB CNc1nc(C)c(C(=O)N2CC[C@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)s1 19757670 HCGZIBDYEJETCX-AWEZNQCLSA-N 430.534 1.694 0 40 IDAB COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCOCC3)c(=O)[nH]c2cc1OC 20084185 KEXMHZVASOTANL-SFHVURJKSA-N 428.493 1.708 0 40 IDAB COc1cc2ncn(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)c2cc1OC 20723327 PEKRFJOWKFUBCG-UHFFFAOYSA-N 426.448 1.902 0 40 IDAB Cc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(C)CC1 22797286 OWYJKLNYEVWGDT-FQEVSTJZSA-N 438.528 1.445 0 40 IDAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22824863 JHPNVCHBTFJQEL-ZFWWWQNUSA-N 435.468 1.717 0 40 IDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCc1ccccc1OC)C2=O 23653451 VICXYOFEGFHWRR-UHFFFAOYSA-N 431.489 1.745 0 40 IDAB COC(=O)COc1c(I)cc(CO)cc1I 34772851 MWKDNUOYGJVMLP-UHFFFAOYSA-N 447.994 1.940 0 40 IDAB Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CC4)[C@H](C(=O)NC4CCCC4)[C@@]34C=C[C@]2(C)O4)no1 35289992 GIROLZLCWUZLJH-NELSSCAASA-N 440.500 1.683 0 40 IDAB CN(C)C(=O)CN1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CC1 35307589 OHFFKDFTPPWDRE-UHFFFAOYSA-N 428.562 1.469 0 40 IDAB O=C(NCc1ccc(F)cc1)[C@@H]1CSCN1S(=O)(=O)c1ccc2c(c1)OCCO2 40556274 BKAQJBUTGDFZRZ-INIZCTEOSA-N 438.502 1.977 0 40 IDAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 43943432 CMWJVZYFEFDFBH-UHFFFAOYSA-N 433.452 1.964 0 40 IDAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCC(=O)NCC(F)(F)F 59325564 HGAWRFFRVCCGPY-GOSISDBHSA-N 426.395 1.170 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 67285893 XDZGRJMXLXGCLM-FQEVSTJZSA-N 446.504 1.039 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@@H](c1cccs1)N1CCOCC1)C2=O 68783162 OMBTXRBPJZOEOW-VWKPWSFCSA-N 434.562 1.738 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cc(Cl)ccc1N 89319596 ZBQVWALSDGRZGG-UHFFFAOYSA-N 441.893 1.977 0 40 IDAB O=C(O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 96005690 BQQYXYHGBCGOLJ-DYVFJYSZSA-N 430.438 1.329 0 40 IDAB COc1cccc(N2CCN(C(=O)C3CCN(c4cc(-n5cncn5)ncn4)CC3)CC2)c1 96105241 LPOOMEABKJFESH-UHFFFAOYSA-N 448.531 1.631 0 40 IDAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(CCc2ccccn2)CC1 96224292 SZSIDDMMRAUSMM-NRFANRHFSA-N 435.528 1.322 0 40 IDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(CCc2ccncc2)CC1 96232720 NYABTHJWPWMUDG-IBGZPJMESA-N 425.489 1.262 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(O)n3n2)CCCC4)CC1 100139292 QMNMJYRHFOEMDA-GOSISDBHSA-N 447.561 1.649 0 40 IDAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C(=O)N1Cc1cccc(Cl)c1 225440115 YPYCYDULNRHEHG-UXHICEINSA-N 425.916 1.899 0 40 IDAB biogenic,in-vitro CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cnccn3)CC[C@@H]2Oc2ccc(F)cc2)CC1 257201589 AIFWIFABQHNFOF-UWJYYQICSA-N 441.507 1.690 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1C 408604175 LGHRGVKBAJAXHT-UHFFFAOYSA-N 431.514 1.590 0 40 IDAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCN1CCOCC1 408710278 VTOONGJGOVDPMT-UHFFFAOYSA-N 440.500 1.012 0 40 IDAB COCCCNC(=O)CSC(Nc1ccc(C)c(C)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 409376769 BARLDWVMWMKDPB-UHFFFAOYSA-N 448.545 1.863 0 40 IDAB Nn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccc(Cl)cc1 3263245 UFTMXGRSSQXILA-UHFFFAOYSA-N 446.920 1.982 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)ccc1C 3362875 YVKDKHOUKPYARO-UHFFFAOYSA-N 447.513 1.920 0 40 IDAB C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(C(N)=O)cc1 4327898 PQDNLZJJAVCERK-TWLOVUBOSA-N 427.501 1.988 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(SCCO)n2C[C@@H](O)COc1cccc2ccccc12 8809358 XFVHRQYSBUFSPR-CQSZACIVSA-N 442.497 1.101 0 40 IDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 8994988 HLIVWBCNWLFFAL-FXAWDEMLSA-N 439.468 1.376 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)C2)cc1 9086713 UVZSKYMVEDYOFL-HRCADAONSA-N 439.534 1.901 0 40 IDAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)N(C)S(=O)(=O)N1 12131212 NFBZOFQMQBAUTI-LSDHHAIUSA-N 431.440 1.966 0 40 IDAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 12520987 PLQMNRNZBCANCS-UHFFFAOYSA-N 433.530 1.948 0 40 IDAB Cc1cccc(-c2nnc(SCC(=O)N(C)CC(=O)NC3CC3)n2CCC(=O)O)c1 12775089 BAYLWSHGGHYPHK-UHFFFAOYSA-N 431.518 1.557 0 40 IDAB O=C(COc1ccc(OCc2ccccc2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14116383 MPKKATUVONJERP-FQEVSTJZSA-N 444.553 1.976 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 14236256 DYOLPZDVFCYQOA-QRWLVFNGSA-N 432.546 1.731 0 40 IDAB CN1C[C@H](c2cc(N(C)C)nc(C3CCN(CC(=O)N4CCCCC4)CC3)n2)CC1=O 19697494 KEXWOXZYOFQVFY-GOSISDBHSA-N 428.581 1.680 0 40 IDAB COc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)N2CCCCC2)Cc2cn(C)nc21 19701597 ZLIGXCNJABPNDD-INIZCTEOSA-N 433.534 1.697 0 40 IDAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(CC(=O)N1CCC(C)CC1)CC2 19710562 XIGCDEFEYOWWLH-GOSISDBHSA-N 428.581 1.861 0 40 IDAB CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 19738666 HIMGCXQZAUBIME-OAHLLOKOSA-N 441.513 1.742 0 40 IDAB Cc1nc([C@H]2CCCN(CC(=O)Nc3nccs3)C2)ncc1C(=O)N1CCOCC1 19764003 NYRMYJWFYDDZDB-HNNXBMFYSA-N 430.534 1.532 0 40 IDAB COc1ccc(OC)c(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)c1 20237160 OEIQGCKUJPVMKD-UHFFFAOYSA-N 425.532 1.773 0 40 IDAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1Br 24996010 SFRAOQAOTUMSER-UHFFFAOYSA-N 433.324 1.679 0 40 IDAB CCn1c(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)nnc1N1CCOCC1 25051593 DUFINSNUMUMXAB-UHFFFAOYSA-N 441.579 1.556 0 40 IDAB COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1nnsc1Cl 32776274 RPHMNRNEEYBMCW-SFHVURJKSA-N 436.877 1.860 0 40 IDAB CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(C)CC(=O)NCc1ccco1 32988608 ALLLJUDSZSOHTK-VSFZPWCASA-N 433.530 1.969 0 40 IDAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 33905410 WYHKLPVCPMYCBN-UAKAABGRSA-N 431.448 1.904 0 40 IDAB biogenic CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)Cc2ccc(-n3cnnn3)cc2)c1 36395932 SXXMNUOEHPMAGV-UHFFFAOYSA-N 449.876 1.444 0 40 IDAB Cc1nc(CSCC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)no1 36397883 AQBHLTMERWRPFN-UHFFFAOYSA-N 429.524 1.139 0 40 IDAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 40154297 FCPGTYGLNWQLEO-RBSFLKMASA-N 443.591 1.681 0 40 IDAB O=S(=O)(c1ccc(F)cc1F)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 42379744 KBJAYRUVMBGKLM-UHFFFAOYSA-N 425.461 1.102 0 40 IDAB COc1ccccc1N1CCN(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 56997335 CXSSGKUJUSQJDS-UHFFFAOYSA-N 446.573 1.498 0 40 IDAB O=C(c1nnc2sc(-c3cccc(I)c3)nn12)N1CCOCC1 57354663 BQEWQZZSXHCMGQ-UHFFFAOYSA-N 441.254 1.930 0 40 IDAB COCc1cc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)c(N2CCOCC2)n1 67219772 MWMXBWZYWZMUQI-UHFFFAOYSA-N 426.395 1.884 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCCN3C(=O)c3cc[nH]n3)nc2n(C)c1=O 72380209 KUSIYVMNQFRTGL-CYBMUJFWSA-N 436.394 1.742 0 40 IDAB Cc1c(C(=O)NC[C@H]2COCCO2)nnn1-c1ccc(I)cc1 84057906 VGKCMZQFCDPVLF-ZDUSSCGKSA-N 428.230 1.326 0 40 IDAB O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 96375140 NCJUYHHHKSTGOS-UHFFFAOYSA-N 427.500 1.819 0 40 IDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 101705611 CVUVYLAGNMYYGE-LSOMNZGLSA-N 429.498 1.217 0 40 IDAB C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@@H]3[C@@H]1CCC2=O 146808928 FJAZVHYPASAQKM-XTLADQJESA-N 446.496 1.383 0 40 IDAB Cn1ccnc1CN[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O 514289210 ZZRJZSYKCBYTKG-CMKODMSKSA-N 439.482 1.479 0 40 IDAB biogenic,in-vitro O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-n3cccn3)cc2)cc1 1888994482 KPEWAUNURQPARQ-LJQANCHMSA-N 440.481 1.538 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3CCN(Cc4ccnn4C)CC[C@H]3C2)c1 2056223282 CTJDNZPNDJFFGH-CALCHBBNSA-N 434.562 1.970 0 40 IDAB O=C(c1ccc2c(c1)OCCOCCOCCO2)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2087528 GXFSNEMEHSFARR-PKOBYXMFSA-N 440.496 1.912 0 40 IDAB biogenic C[C@@H](Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)C(=O)NC(N)=O 3521786 KQLCDUDAWCGFAX-GFCCVEGCSA-N 426.502 1.936 0 40 IDAB COC(=O)C1CCN(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)CC1 4164434 JBWXQKZOYGBRID-OAHLLOKOSA-N 425.869 1.394 0 40 IDAB COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)O)OCO4)cc(OC)c1OC 4777909 XRBSKUSTLXISAB-XVVDYKMHSA-N 432.425 1.929 0 40 IDAB biogenic,world CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1 9001631 AHFLLJMIJGIENM-UHFFFAOYSA-N 444.451 1.599 0 40 IDAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NCCc1ccccc1 9486913 GUWHAWFABNQFKJ-WMZOPIPTSA-N 437.496 1.674 0 40 IDAB CC(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2ccccc21 9832066 RROVDQREIPTIDY-HXUWFJFHSA-N 445.497 1.460 0 40 IDAB COc1ccc(OC[C@@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1 10385369 OWHMZYVPIVCPRD-GJZGRUSLSA-N 443.504 1.108 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)Cc2csc(NC(=O)c3ccco3)n2)s1 11204315 DKVUWLVXHNXADS-UHFFFAOYSA-N 426.501 1.556 0 40 IDAB CN(C(=O)c1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1Cl)[C@H]1CCS(=O)(=O)C1 12003589 GVNOIUWMBRFGPM-LBPRGKRZSA-N 448.950 1.302 0 40 IDAB O=C(NCCN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)c1ccco1 13010741 XRIKTNXNTDKHSE-UHFFFAOYSA-N 447.435 1.915 0 40 IDAB CCOC(=O)N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 13056827 YZSQRVGQQXWESC-UHFFFAOYSA-N 438.550 1.574 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc3c(c2)OCCO3)cc1 14252969 JSIWCENFGJAZGT-UHFFFAOYSA-N 433.486 1.401 0 40 IDAB CC(=O)N1CCCN(CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19017663 FQPGIZVEOBPENS-IBGZPJMESA-N 429.565 1.230 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCC[C@@H](O)C3)CC1)O2 19218889 RBGGXZKYFNKWLO-YGKZAACZSA-N 429.517 1.240 0 40 IDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC(C(=O)NCCCN2CCCC2)CC1 32928704 RBTVMDNQUXVFOH-QHCPKHFHSA-N 442.604 1.617 0 40 IDAB C[C@H]1Oc2ccc(NC(=O)NCCS(=O)(=O)N3CCc4ccccc43)cc2NC1=O 58157440 ZYEUBKFLBRSIBZ-CYBMUJFWSA-N 430.486 1.920 0 40 IDAB CS(=O)(=O)c1nc(C(=O)NCCC(=O)N2CCCc3ccccc32)c2ccccn12 70004211 OWCINXZNSRWKLR-UHFFFAOYSA-N 426.498 1.837 0 40 IDAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)C(=O)N1CCOCC1 78720270 PGEYOTBLLNSEEH-LBPRGKRZSA-N 439.515 1.232 0 40 IDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 95406540 MZFYEDKCOFRXMU-UHFFFAOYSA-N 440.499 1.295 0 40 IDAB CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)c4cccc(OC)c4)CC3)[C@@H]1CN(C(C)=O)C2 96143764 IUMJFQDAGMNNEB-SIKLNZKXSA-N 449.573 1.471 0 40 IDAB Cc1ccc(NC(=O)CCNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 101258573 IXNXMPGKKJPONP-WRMBXCAGSA-N 434.489 1.836 0 40 IDAB CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1=O 101665949 KLFSVEPCDFFRNW-MRXNPFEDSA-N 444.875 1.905 0 40 IDAB COc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1S(=O)(=O)N(C)C 103413023 GGAVSKMLBBVNMF-YUELXQCFSA-N 435.502 1.224 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)CC1 220641011 MUJZHRVHNDWBFF-KRWDZBQOSA-N 427.523 1.541 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3nc(C)n[nH]3)CC2)cc1 226074780 RCFCXEFJFWELIC-UHFFFAOYSA-N 439.563 1.431 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408670921 XRFRRIDHIGFSOI-ZBERQUOHSA-N 442.468 1.765 0 40 IDAB O=S1(=O)CC[C@H](N(C[C@H](O)CO)S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 575422478 LKOIDDJWXGLVEJ-ROUUACIJSA-N 431.576 1.265 0 40 IDAB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(c2ncccn2)CC1 2966831 ROIBGKZTYPMROQ-INIZCTEOSA-N 435.513 1.273 0 40 IDAB COCCOc1cc(NC(=O)CS(=O)(=O)CC(=O)N(C)C)c(Cl)cc1Cl 8733600 XNIPMZMHAWNGNC-UHFFFAOYSA-N 427.306 1.460 0 40 IDAB Cn1c(N)c(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(=O)n(C)c1=O 8861176 LARJPOUMIRPZCY-UHFFFAOYSA-N 426.502 1.158 0 40 IDAB CN(C(=O)c1cncc(Br)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9255500 PVVFAWWROPZRIU-UHFFFAOYSA-N 430.262 1.601 0 40 IDAB O=C(Cn1c(=O)n(CC(=O)N2CCCCC2)c(=O)c2sccc21)NC1CCCCC1 9409501 HQDYBJSUNSGDDH-UHFFFAOYSA-N 432.546 1.686 0 40 IDAB COc1ccc(-c2nnc(SCC(=O)Nc3sccc3C(N)=O)n2N)cc1OC 9507951 YVDRVXAQFZSHSP-UHFFFAOYSA-N 434.503 1.567 0 40 IDAB Cc1cc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)no1 12187825 SMAILUAZLJQJDB-SFHVURJKSA-N 432.502 1.840 0 40 IDAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n(C)c3nc2n1CC(=O)O 12575025 SFINIGAKLFGMEO-UHFFFAOYSA-N 436.255 1.898 0 40 IDAB CN1CCC(N(C)CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 12591204 FOKLCHIEIHOFPK-UHFFFAOYSA-N 444.985 1.325 0 40 IDAB Cc1cc(=O)c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)nn1-c1ccccc1Cl 12594518 OKGIAMHQMXPVHL-UHFFFAOYSA-N 443.935 1.575 0 40 IDAB Cn1nc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c2ccccc2c1=O 12781391 RNAHGOMYZIQJLZ-IBGZPJMESA-N 434.452 1.058 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCN(c3ncccn3)CC2)c1 13041024 BYLJXGSJHNJMDG-UHFFFAOYSA-N 446.577 1.576 0 40 IDAB CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(C)cc1C 13122949 SNSYWTDXYZISJL-XUVXKRRUSA-N 437.445 1.600 0 40 IDAB CC(C)CCNC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(Br)c1 13165204 ZAWTVXUEEJMQNV-UHFFFAOYSA-N 428.283 1.594 0 40 IDAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc1 14189259 ZSIQNOAEGXGANT-QFIPXVFZSA-N 443.525 1.983 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)O 15956460 GLNCOTXYXGERHA-ODXCJYRJSA-N 444.484 1.701 0 40 IDAB biogenic C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16012643 WOVDBFKGXHXRMP-HAOYMYTASA-N 443.862 1.781 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)NC/C=C(/C)Cl)CC1)O2 19014326 ZISDHQJRPLLDOD-QAQVULFKSA-N 435.908 1.828 0 40 IDAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(S(=O)(=O)c2cnn(C)c2C)CCO1 19703287 GHHUJQMBYGYPKD-ZDUSSCGKSA-N 435.531 1.460 0 40 IDAB CNC(=O)c1cnc(C2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)CC2)nc1C 19766446 APSUDWQOCBYISG-UHFFFAOYSA-N 448.520 1.854 0 40 IDAB CC(C)(C)NC(=O)[C@H](c1ccco1)N(CCN1CCOCC1)C(=O)C(=O)NC1CCCC1 20150967 FAOUBLZMMBRWLR-IBGZPJMESA-N 448.564 1.455 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2nc(C)cs2)CC1 21481947 BTLXWIHKLXQHBZ-UHFFFAOYSA-N 437.543 1.955 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3c(F)cccc3F)CC2)cc1 22732973 IFIVMJKCTDGAMD-UHFFFAOYSA-N 439.484 1.710 0 40 IDAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)NN1C(=O)NC2(CCCCC2)C1=O 22792928 HHRSHGOKENOUQG-UHFFFAOYSA-N 441.532 1.025 0 40 IDAB O=C(Cn1nc2c(c1NC(=O)c1ccc3c(c1)OCO3)CSC2)NC[C@H]1CCCO1 23139071 HZFHLYPXNRARHY-CYBMUJFWSA-N 430.486 1.906 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@@H]2CC2(Cl)Cl)c(=O)[nH]c1=O 23681907 ZBASVHYDARRWLZ-LBPRGKRZSA-N 427.288 1.492 0 40 IDAB COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)c1 27914735 LOXCHRBCMVQFOG-UHFFFAOYSA-N 444.513 1.032 0 40 IDAB CC(C)OC(=O)C[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 32820969 XYXWINCHVDDNDZ-SJLPKXTDSA-N 449.529 1.351 0 40 IDAB CC(C)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 34275141 PJEZJOIEKAFKQW-KRWDZBQOSA-N 435.521 1.902 0 40 IDAB Cc1ccc([C@@H](CNC(=O)c2nc(N3CCOCC3)ncc2Cl)N2CCOCC2)o1 48302213 DDYLLBDLMPWNIT-MRXNPFEDSA-N 435.912 1.671 0 40 IDAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(-n3cnnc3)c2)c2ccccc2)CC1 49550240 DXVNNMNRRIZMJP-NRFANRHFSA-N 433.516 1.311 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)CC2)Nc2ncccc21 72326284 MXHWJGWXGCXEAJ-AVIJNYRZSA-N 441.532 1.099 0 40 IDAB O=C(COc1ccccc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccccc1)S3(=O)=O)O2 96263984 XWLFAXJRYSDDMO-URVUXULASA-N 428.510 1.650 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H]3C=CS(=O)(=O)C3)CC2)cc1 101495437 ZUCVYEBWIGKQGX-XHSDSOJGSA-N 442.559 1.207 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2ncn[nH]2)C1 222623754 BPGABFKIUUGGGM-GFCCVEGCSA-N 443.526 1.262 0 40 IDAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 223839154 KVPIQYKSMFNRNQ-UHFFFAOYSA-N 438.527 1.783 0 40 IDAB CCc1cc(C(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)on1 257250459 JMPGWOZNUMTUCR-OAHLLOKOSA-N 430.486 1.783 0 40 IDAB CN(C[C@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)c1ccc(OCC(=O)O)cc1 257285486 PHJBTCXGTITDPY-HSZRJFAPSA-N 436.468 1.807 0 40 IDAB Cn1nc(C(F)(F)F)cc1C(=O)N1CCC(c2n[nH]cc2C(=O)N2CCOCC2)CC1 257316768 VGYFJBFPPKTOTL-UHFFFAOYSA-N 440.426 1.654 0 40 IDAB FC(F)(F)c1nnc2ccc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nn12 301353980 JZAMWDCKQRFAEM-UHFFFAOYSA-N 435.414 1.096 0 40 IDAB CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)CN(C(=O)c3ccco3)CC2)C1 306123329 AKKTVKDLHVGQQA-JOCHJYFZSA-N 425.489 1.500 0 40 IDAB O=C(Cc1ccccc1)N1CC[C@@H]2Cn3c(nn(Cc4cccc(F)c4)c(=O)c3=O)[C@@H]2C1 306124663 BWAWGIOGKGLRAC-UYAOXDASSA-N 434.471 1.781 0 40 IDAB O=C(c1ccoc1)N1C[C@H]2[C@@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccn1 306144487 ZGMOFTDRBPVEQQ-DLBZAZTESA-N 426.454 1.546 0 40 IDAB O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 527496285 PTNYZMZZAHKIRS-UHFFFAOYSA-N 428.470 1.513 0 40 IDAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 575609241 RXMHDXWSZWAEDG-SFHVURJKSA-N 442.603 1.179 0 40 IDAB COCCNC(=O)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)c2cccc(Cl)n2)C1 1614941204 XDUALAFETIAXKP-FQEVSTJZSA-N 432.912 1.572 0 40 IDAB Cc1cc(N2C[C@H]3CN(C(=O)C[C@H]4CSc5nc(C)c(C)c(=O)n54)C[C@H]3C2)ncn1 1889404703 MWCLIBCNZWUWPP-BBWFWOEESA-N 426.546 1.590 0 40 IDAB COc1cccc(CNC(=O)CCC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c1OC 2124313 VVWYWMYOKKCUAB-SJLPKXTDSA-N 439.512 1.908 0 40 IDAB biogenic Cc1cccc2c1NC(=O)[C@]21N[C@@H](CCC(=O)O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 2132007 CNUXTOQYWCNBPK-XITLKHQFSA-N 425.485 1.913 0 40 IDAB biogenic CCCc1nn2c(=O)cc(COC(=O)CNC(=O)COc3ccc(C)cc3)nc2s1 8605492 UESMFJBNOSHIDO-UHFFFAOYSA-N 430.486 1.650 0 40 IDAB CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2ccc3nsnc3c2)c1C 8755257 OPTJPTYCUPHOGM-UHFFFAOYSA-N 429.549 1.772 0 40 IDAB Cc1ccc(NC(=O)CSc2nncn2C)cc1NC(=O)CSc1nncn1C 9026743 QNOKOTRDKQWSEM-UHFFFAOYSA-N 432.535 1.714 0 40 IDAB NC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NCCCc1ccccc1 9244918 JYKHCNBFZGWLDD-SFHVURJKSA-N 445.903 1.606 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC[C@@H]3CCCO3)nc(-c3ccccc3)nc2n(C)c1=O 9382379 YOKDMDLHXGKJKN-AWEZNQCLSA-N 441.513 1.082 0 40 IDAB CCn1c(CCC(=O)NCc2ccc3c(c2)OCO3)nc2cc(S(N)(=O)=O)ccc21 9466463 IVWCOCHKSFPQHX-UHFFFAOYSA-N 430.486 1.681 0 40 IDAB C[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)NC(=O)NC1CCCCC1 9633798 PXTOBBSJJFYAEQ-JTQLQIEISA-N 444.282 1.862 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnnn1C1CC1 9823718 OEQFFIFYAGIADQ-UHFFFAOYSA-N 438.535 1.068 0 40 IDAB COCCCNC(=O)CSC(Nc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973907 QQCLJGSGTWCLSF-UHFFFAOYSA-N 438.481 1.386 0 40 IDAB Cc1cc(C)c(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)c(=O)[nH]1 10457454 HXWWADNFTCBKSO-IBGZPJMESA-N 449.529 1.382 0 40 IDAB COc1ccc(-c2nnc3n(Cc4ccccc4F)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10968963 CMTYGXNAWVQHSG-UHFFFAOYSA-N 434.431 1.944 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3ccccn3)CC2)c1 12606134 OHVWVNXWFRITCT-UHFFFAOYSA-N 443.573 1.895 0 40 IDAB Cn1cc(/C=C/C(=O)NCCCCCc2nc(-c3cccs3)no2)c(=O)n(C)c1=O 12897582 ZPLKHAAHBGATGJ-MDZDMXLPSA-N 429.502 1.738 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CC1 13629003 WRGMRLARACOQRP-KSSFIOAISA-N 425.526 1.646 0 40 IDAB O=C1C[C@@H](N2CCC(NS(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 15022145 IRUPSXQTVYIEDD-LJQANCHMSA-N 431.489 1.901 0 40 IDAB CC(C)[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N[C@H](C)C(=O)O 16042058 OIQGFFMZWQWBET-ZUOKHONESA-N 444.484 1.781 0 40 IDAB biogenic CCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCN(C(C)=O)CC2)cc1 16837647 BRRSGCONYAZHQZ-UHFFFAOYSA-N 442.516 1.558 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 17102604 DMYKVWVPPBKRRL-UHFFFAOYSA-N 438.556 1.695 0 40 IDAB CC(C)S(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccnc3)[nH]c2=O)C1 19451110 GLIIHHAHECDMTC-SFHVURJKSA-N 445.545 1.629 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccccc2OC)cc1 19589739 SNJKCSZYEBDHDT-UHFFFAOYSA-N 433.530 1.673 0 40 IDAB Cc1n[nH]cc1C(=O)N1CCO[C@@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)C1 19759454 BGGOWRNKPBQQRP-JOCHJYFZSA-N 448.527 1.868 0 40 IDAB O=C(CCCCCCCC(=O)NCCCN1CCOCC1)NCCCN1CCOCC1 21487163 SWBVCDCAZHAFHT-UHFFFAOYSA-N 440.629 1.394 0 40 IDAB O=C(Nc1ccccc1)C1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 26799620 KQPLWUSWBSYJFK-KRWDZBQOSA-N 446.529 1.029 0 40 IDAB Cc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c2c(C)noc2n1 32869371 QMHXXLOYZJLLMA-UHFFFAOYSA-N 432.458 1.885 0 40 IDAB O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)NC(=O)Nc1ccccc1F 36408770 KNMRSKXTFGBNON-UHFFFAOYSA-N 441.529 1.212 0 40 IDAB CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 48331756 YMEZJAFCSNFMDN-UHFFFAOYSA-N 441.513 1.663 0 40 IDAB CCOc1ccccc1CNC(=O)Cn1nc2n(c1=O)C(=O)N(c1ccc(OC)cc1)C2 66091618 LGUYTRUOCGCYRJ-UHFFFAOYSA-N 437.456 1.757 0 40 IDAB CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCC(=O)Nc3ccccc32)s1 95459428 OERMZUGXOBTPDW-UHFFFAOYSA-N 443.572 1.767 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)ccc21 223845881 IKEILYQGZHGPFB-UHFFFAOYSA-N 442.541 1.784 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 225434546 ZBONPUAENCWDOG-INIZCTEOSA-N 435.521 1.918 0 40 IDAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC(n4c(=O)oc5ccccc54)CC2)[C@H]3C1=O 248169327 QYNHFIMZDFWEGO-MTXNFPGFSA-N 437.496 1.948 0 40 IDAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc(=O)n(C)c(=O)n4C)C3)o2)c1 257331672 XTTUAPLMEOKTHR-MRXNPFEDSA-N 438.484 1.691 0 40 IDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408709668 FCXLYDLPILASTH-HNNXBMFYSA-N 425.441 1.579 0 40 IDAB O=C(NCc1ccc(/C=c2/sc3n(c2=O)CCCN=3)o1)C(=O)Nc1cccc(Cl)c1 409184630 HPNXUKLQDUURQM-MHWRWJLKSA-N 444.900 1.263 0 40 IDAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O 409223390 FQFAQSHWCXTETP-XDUBLRSXSA-N 434.470 1.522 0 40 IDAB Cn1cc(C(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)c(C(F)F)n1 585101148 IUNQQMFNVJRWEP-HXUWFJFHSA-N 432.431 1.820 0 40 IDAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)[C@@H]2CCCN2c2nc3ccccc3o2)CC1 585322641 WXAIBTMPUPOQRT-KRWDZBQOSA-N 443.529 1.995 0 40 IDAB O=c1ccc(C2CC2)nn1CC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 585502365 KGPSASKCLGSQGY-UHFFFAOYSA-N 431.514 1.993 0 40 IDAB Cc1nccn1CC(=O)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643557532 XHVQQRNTFREQDB-HSZRJFAPSA-N 426.517 1.711 0 40 IDAB Cc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4-c4ccc5c(c4)OCO5)CO[C@H]23)cc1 4270564 YVSPIQMDOZUQKQ-XAMWDVODSA-N 435.440 1.515 0 40 IDAB biogenic,in-vitro Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCN(c2cccc(Cl)c2)CC1 8741515 WMEBCEVXDSUJKQ-UHFFFAOYSA-N 441.923 1.460 0 40 IDAB CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(C(C)=O)cc2)c(=O)c3=O)cc1 8849446 AWNSDCUMKOENEM-UHFFFAOYSA-N 449.467 1.797 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 8861964 CLQJLMJVMCLXEM-QHCPKHFHSA-N 447.451 1.111 0 40 IDAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC(=O)N[C@@H]1CCS(=O)(=O)C1 9643983 PBDRIUTYRZRZER-MRVPVSSYSA-N 438.318 1.141 0 40 IDAB CN1C(=O)C(=C(Nc2ccccc2)SCC(=O)NC[C@H]2CCCO2)C(=O)N(C)C1=O 9974240 GKNPGNKMLFGNBI-CQSZACIVSA-N 432.502 1.389 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)c(C)n23)n(C)c1=O 10271912 IFGDMUDEZWWGHH-UHFFFAOYSA-N 449.389 1.947 0 40 IDAB CCCc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)c2c(=O)n(C)c(=O)n(C)c2n1 11024758 BHQNLQPIDDIRKU-UHFFFAOYSA-N 443.485 1.439 0 40 IDAB COc1ccc(-c2cc(NS(=O)(=O)c3c[nH]cn3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 11795832 YZNVVTZWLRARLI-CYBMUJFWSA-N 437.503 1.442 0 40 IDAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 13040888 QVEYNAZKCZKHBO-INIZCTEOSA-N 427.457 1.855 0 40 IDAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc(S(N)(=O)=O)cc3)n2)cc1 13796202 NDTINKULRNKGTP-UHFFFAOYSA-N 442.497 1.386 0 40 IDAB O=C(c1ccn(Cn2cc(Br)cn2)n1)N1N=C(C(F)F)C[C@]1(O)C(F)F 13959753 UOBGLRDHAMMOLD-ZDUSSCGKSA-N 439.167 1.769 0 40 IDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 15483319 CCIPKQWNVUAAJA-QGZVFWFLSA-N 445.398 1.207 0 40 IDAB Cc1cc(Br)cc(Cl)c1OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 16684580 WRFPEMLUJYEUKL-SNVBAGLBSA-N 439.715 1.803 0 40 IDAB O=C(CN1CCCC1)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 19332524 YHOYQVWIKCDLKO-IBGZPJMESA-N 429.496 1.241 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)[nH]c(=O)c2C1 19572681 KRWBLYUVHHMLTF-QGZVFWFLSA-N 444.557 1.426 0 40 IDAB C[C@@H](NC(=O)c1cccc2ncccc12)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 19575433 YKHPYCYFBJOFOU-CABCVRRESA-N 431.514 1.205 0 40 IDAB COc1cc([C@@H]2CC(=O)c3cnc(N4CCN(CCO)CC4)nc3C2)cc(OC)c1OC 19636102 QUEMOTAFFLMBBG-HNNXBMFYSA-N 442.516 1.529 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 20033143 IFCQUGZSTSXTOB-UHFFFAOYSA-N 437.543 1.024 0 40 IDAB Cc1ccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1S(=O)(=O)N1CCOCC1 23680899 NOANSSPZFAJTLF-HNAYVOBHSA-N 439.559 1.408 0 40 IDAB CCCCN(C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1c(N)n(CCCC)c(=O)[nH]c1=O 24004521 DREJXTQUIUNJNM-RBZFPXEDSA-N 437.566 1.506 0 40 IDAB CCOC(=O)C1=C(COC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)NC(=O)NC1 24829977 NZKKZZZHYYRDEV-UHFFFAOYSA-N 440.456 1.410 0 40 IDAB Cn1c(=O)c2cc(C(=O)Nc3cc4c(cc3Br)OCCO4)cnc2n(C)c1=O 24946895 PZVDLPWEHYESSM-UHFFFAOYSA-N 447.245 1.418 0 40 IDAB O=C(Cn1cccc2c(=O)n(Cc3ccncc3)c(=O)nc1-2)N1CCCc2ccccc21 32615480 UNRWWZZJNORFPD-UHFFFAOYSA-N 427.464 1.933 0 40 IDAB Cc1cc(CN2CCN([C@@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)no1 32759802 JRQUHANVXMVXID-KRWDZBQOSA-N 449.577 1.815 0 40 IDAB O=C(NCCn1ncc2c(N3CCCCC3)ncnc21)[C@H]1CC(=O)N(c2ccccc2)C1 35590484 UBQFZCWHJGNJFV-KRWDZBQOSA-N 433.516 1.986 0 40 IDAB COC(=O)c1sc(NC(=O)C(=O)NCCCOCc2ccco2)c(C(=O)OC)c1C 72309180 JHTKSKUFKNUDGF-UHFFFAOYSA-N 438.458 1.884 0 40 IDAB Cc1c(C(=O)OCC(COC(=O)c2cnn(C)c2C)NC(=O)OC(C)(C)C)cnn1C 78989158 VHVJIKCTDMZACK-UHFFFAOYSA-N 435.481 1.678 0 40 IDAB O=C(NC[C@H](c1ccco1)N1CCCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 89794415 CDXXPWQTDPUNHN-NVXWUHKLSA-N 436.534 1.088 0 40 IDAB Cn1c(=O)c2ccccc2n2c(CN3CCN(c4ncnc5sccc45)CC3)nnc12 97110507 FMPHTDCCUNXEJO-UHFFFAOYSA-N 432.513 1.908 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1OC 225058605 DHCSQIPWYOFCQQ-UHFFFAOYSA-N 435.502 1.665 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225545332 QNRCBOJHCYVDLU-UHFFFAOYSA-N 448.524 1.693 0 40 IDAB CSc1cccc(N2C[C@@H](C(=O)NCCn3cc(-c4nc(C)no4)nn3)CC2=O)c1 225583672 MQNMQGCTYIKBIE-ZDUSSCGKSA-N 427.490 1.528 0 40 IDAB O=C(c1cnn2c1CCCC2)N1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1 225607124 PJDNOPDTNZFLJX-UHFFFAOYSA-N 429.502 1.648 0 40 IDAB O=C(c1cccnc1)N1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O 306125815 DCYNSEVQKKRXMM-XUZZJYLKSA-N 429.480 1.909 0 40 IDAB O=C1CCc2cc(S(=O)(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)ccc2N1 618256958 ZYOKBPWWNJNUFQ-UHFFFAOYSA-N 432.502 1.151 0 40 IDAB CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1=O 643555719 DIQDDYGCBIVCEG-DEOSSOPVSA-N 429.561 1.944 0 40 IDAB CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O 1636010081 ULRWFLPOCKJCFV-HOTGVXAUSA-N 426.945 1.698 0 40 IDAB CC(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3314388 XITUIWOGLPLXEI-UHFFFAOYSA-N 445.497 1.829 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccncc1 8991046 FNEPXKDMAAULBG-MRXNPFEDSA-N 434.493 1.054 0 40 IDAB Cc1cc(NC(=O)C(=O)NCc2ccccc2Cl)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039867 IXEXMWCFVPDCJJ-UHFFFAOYSA-N 426.864 1.661 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N(C)Cc2ccccc2)[C@@H](C)O)cc1 9052057 FCUGJRISIZQPDB-UZLBHIALSA-N 434.514 1.225 0 40 IDAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccnc1 9216073 BTOHYXINWIXQDJ-LJQANCHMSA-N 445.357 1.120 0 40 IDAB O=C(NCCN1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9216881 DLSJIMMTGFLJGT-UHFFFAOYSA-N 437.562 1.461 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 9257630 OHWQFBAQXGKGIX-UHFFFAOYSA-N 445.541 1.737 0 40 IDAB Cc1cccc(OCc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)o2)c1 9714114 UGYJNZPKDVZITG-UHFFFAOYSA-N 429.458 1.699 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCCc2ccccc2)c1 9807370 JXWDAUNKURTWMO-FQEVSTJZSA-N 443.569 1.932 0 40 IDAB Cc1cc(C(=O)N2CCOCC2)n(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 11931137 YIILSEPVXQKFCV-UHFFFAOYSA-N 445.951 1.975 0 40 IDAB O=C(CSc1nnnn1Cc1ccccc1)NCC1(N2CCOCC2)CCCCC1 12772729 KHEQBFWIHASANK-UHFFFAOYSA-N 430.578 1.965 0 40 IDAB O=C(COC(=O)Cc1ccccc1F)NCCNC(=O)COC(=O)Cc1ccccc1F 12928733 HIBGZAZYPBSJTG-UHFFFAOYSA-N 448.422 1.069 0 40 IDAB CCCN(C(=O)CSc1nnc(-c2ccccc2OC)n1N)[C@H]1CCS(=O)(=O)C1 13069412 HPXSDBNFXPMHLY-ZDUSSCGKSA-N 439.563 1.185 0 40 IDAB C[C@@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccccc1)S(C)(=O)=O 14155088 FJBYEMMKRGTTGA-AWEZNQCLSA-N 425.532 1.876 0 40 IDAB Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 19237063 MJLPHIXCYKTRCP-GOSISDBHSA-N 430.530 1.302 0 40 IDAB Cn1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccc(F)cc2)n1 19290990 MLFYLWOTTJPOFH-SFHVURJKSA-N 426.452 1.193 0 40 IDAB C[C@H]1C[C@@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 19699427 MNBMMYVBOXMGQF-LPHOPBHVSA-N 438.528 1.860 0 40 IDAB COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C)CC3)c(=O)[nH]c2c1 19940424 RJKWLPYUPLEYKV-YLJYHZDGSA-N 439.520 1.039 0 40 IDAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NC(=O)Nc1ccc2c(c1)OCO2 22793258 SPNITHIWKQVDLM-UHFFFAOYSA-N 440.456 1.610 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCN(c2ccccc2)CC1 31239777 WHJSTTOOMUXKBB-UHFFFAOYSA-N 432.546 1.285 0 40 IDAB COC(=O)c1ccc2c(c1)-n1nnnc1C1(CCN(C(=O)OC(C)(C)C)CC1)NC2=O 35615793 LHGVAXXJZLZDRH-UHFFFAOYSA-N 428.449 1.419 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc2c(c1)OCCCO2 36386927 HKNXZQYEVIGRDX-UHFFFAOYSA-N 437.543 1.854 0 40 IDAB C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)Cn2cnc3ccccc32)C[C@@H](C)O1 38483735 QGPBOHSFNJALKF-HZPDHXFCSA-N 434.504 1.606 0 40 IDAB COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 40154134 KLOCMMBGRBPOOQ-UHFFFAOYSA-N 440.522 1.870 0 40 IDAB CNC(=O)c1nn(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)c(=O)c2ccccc12 57452428 GDPZQJQNDUECCG-UHFFFAOYSA-N 437.475 1.878 0 40 IDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc(Cn2cccnc2=O)c1 57997357 SFWOGLMCWSADDS-AZUAARDMSA-N 427.505 1.150 0 40 IDAB O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1cccc(NC(=O)c2ccco2)c1 58218543 OSOODBQNWGJYHG-ZWKOTPCHSA-N 431.514 1.913 0 40 IDAB COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 72191669 BLIWLSHQUQWHSI-ZDUSSCGKSA-N 448.530 1.474 0 40 IDAB C[C@]1(NC(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)CCS(=O)(=O)C1 72327578 XQYSTVNSGIYMQW-SFTDATJTSA-N 434.514 1.097 0 40 IDAB COC(=O)[C@@]1(CC(=O)N2CCOCC2)C(=O)C[C@@H]2CC[C@H]1N2Cc1cccc(OC)c1 72340219 ZDWOERGMCZMBSD-GEQKSPFYSA-N 430.501 1.409 0 40 IDAB CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 96225921 XJSRYNCFPLUFAX-FQEVSTJZSA-N 432.477 1.789 0 40 IDAB COC(=O)CSc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)s1 223191281 ABVXUUVRHIUANX-UHFFFAOYSA-N 430.533 1.760 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)CCC(F)(F)F)CC1 245070544 QOKDTFGNGPVUJB-UHFFFAOYSA-N 432.490 1.016 0 40 IDAB Cn1nc(-c2ccccc2)cc1C(=O)NCCN1CCN(C[C@@H](O)COC(C)(C)C)CC1 252490099 KJAYSZCPKSGXAJ-HXUWFJFHSA-N 443.592 1.611 0 40 IDAB CCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1NC(=O)c1ccccc1 408598391 ZRYVICCUXACPFH-UHFFFAOYSA-N 433.530 1.948 0 40 IDAB CCOC(=O)c1c(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)sc2c1CCCC2 409289463 GLXRIUJBKIMOPX-HXIJCWEHSA-N 445.493 1.990 0 40 IDAB NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)Cn3c(=O)nc(O)c4ccccc43)c2)C1 518658732 BWWXOWBSEBCEJC-SFHVURJKSA-N 449.511 1.116 0 40 IDAB O=C(NCCNc1ncccn1)[C@@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 575443947 BEQLIWJMDAMPAP-LJQANCHMSA-N 430.468 1.904 0 40 IDAB CC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)CC1 585281744 AFQFAQNKGIDYJL-FPOVZHCZSA-N 426.941 1.198 0 40 IDAB CCn1cc(-c2cc(C(=O)N3C[C@H](CC(N)=O)[C@H](OC(=O)c4ccccc4)C3)on2)cn1 643586939 MHJPPQOKEQENBG-HNAYVOBHSA-N 437.456 1.731 0 40 IDAB Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)N5CCOCC5)CC4)nc32)cc1 1324677 SWWISDTXXRTASB-UHFFFAOYSA-N 437.504 1.503 0 40 IDAB COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N(C)CCO 2195795 AMUPYZPEPFFZIN-UHFFFAOYSA-N 427.486 1.874 0 40 IDAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3317005 GDSYUSPOYLGHSO-UHFFFAOYSA-N 432.454 1.995 0 40 IDAB Cc1cc(C)cc(N(CC(=O)NCc2ccco2)C(=O)c2snc(C(N)=O)c2N)c1 8680607 YGIOTOKPKZERQG-UHFFFAOYSA-N 427.486 1.997 0 40 IDAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1 8780335 WNIAJXAYJNJVMB-CQSZACIVSA-N 439.563 1.999 0 40 IDAB COc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)c(OC)c1 8849678 LXPHUZJHALYLFS-UHFFFAOYSA-N 437.456 1.521 0 40 IDAB Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1Cc1ccc2c(c1)OCO2 9283928 HIIADJWKKDHHJA-UHFFFAOYSA-N 449.467 1.512 0 40 IDAB O=C(NCc1nnnn1-c1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9570679 KVBIIKXZWLNPOB-UHFFFAOYSA-N 444.492 1.906 0 40 IDAB CC(=O)NCCC(=O)N(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9644880 AWYNBFKNYHWDCN-UHFFFAOYSA-N 435.484 1.227 0 40 IDAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)o1 9707607 LPPZUHGOOQOIEV-UHFFFAOYSA-N 426.410 1.375 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3F)CC2)cc1 9959120 KWPYEIUFEBMMBF-UHFFFAOYSA-N 448.520 1.801 0 40 IDAB CNC(=O)c1ccc(S(=O)(=O)Nc2cc(OCCOC)c(OC)cc2C(=O)O)cc1 10512161 YJGDLNASLRFURZ-UHFFFAOYSA-N 438.458 1.579 0 40 IDAB CCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC[C@@H]2CCCO2)cc1 12137106 BDBNHRYTTBNGFS-DLBZAZTESA-N 449.529 1.013 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)N1CCN(C)CC1 13557312 DYETYILBGCWBFC-HPXJRWHBSA-N 430.574 1.561 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C=O)CC3)cc2)cc1 13689172 PVAPLOUVMBZXAI-UHFFFAOYSA-N 444.513 1.038 0 40 IDAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@@H](O)c3ccccc3)cc2)no1 13693434 LNJHGBJQRWXILD-QGZVFWFLSA-N 444.469 1.572 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(-n3cnnn3)c2)CC1 14245628 FPAIPOZJPSXDSN-UHFFFAOYSA-N 431.478 1.307 0 40 IDAB Cn1c(=O)n(CC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c2ccccc21 14351079 PIHRWUSYEJAITK-UHFFFAOYSA-N 434.543 1.371 0 40 IDAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1N 14356584 KXYALSFRWIUZLJ-UHFFFAOYSA-N 434.503 1.046 0 40 IDAB CC1(C)C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 19460346 QOADAUHCXYYUPW-QZTJIDSGSA-N 448.527 1.970 0 40 IDAB COc1ccccc1N(CC(=O)NCc1ccc(OC)c(OC)c1OC)S(C)(=O)=O 22362561 LOUZYFUBNOIBKF-UHFFFAOYSA-N 438.502 1.803 0 40 IDAB Cc1sc2nc(CN3CCOCC3)nc(N3CCCN(S(C)(=O)=O)CC3)c2c1C 22760791 UEZDXNHYZRENNJ-UHFFFAOYSA-N 439.607 1.612 0 40 IDAB COCCn1c(N2CCN(Cc3cccc4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C 22855264 ZGAKTVZEHZTNNJ-UHFFFAOYSA-N 448.527 1.545 0 40 IDAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1C 23053438 CHUXKUGWRODQAE-UHFFFAOYSA-N 429.542 1.956 0 40 IDAB O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCN(Cc2ccncc2)CC1 23819143 CBFWOTQUAPEPQK-FQEVSTJZSA-N 444.557 1.497 0 40 IDAB O=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23994800 DHWMSDCWADBCEY-OALUTQOASA-N 441.553 1.524 0 40 IDAB COC(=O)C1=C(CN2CCN(C(=O)C3CC3)CC2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 24597542 FUXPKKLUOYBVAG-NRFANRHFSA-N 438.528 1.897 0 40 IDAB CN(C)C(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c2ccccc2O1 26870094 OGCXOMWWEXLOLZ-LJQANCHMSA-N 446.529 1.306 0 40 IDAB CN(CC(=O)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 27914945 CXRKKXRIWSOIRD-UHFFFAOYSA-N 431.470 1.152 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 30014248 ULSFZBCCDOAWAK-QZTJIDSGSA-N 440.500 1.864 0 40 IDAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)C1 30861817 FMUMBLCYBFHAJI-OALUTQOASA-N 437.606 1.946 0 40 IDAB Cc1cc(=O)nc2sc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)nn12 32759667 DAQISWJKVLMYBK-UHFFFAOYSA-N 445.570 1.849 0 40 IDAB COc1ccc(CNC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)cc1 72326311 RVYQWIFSOFJXQO-IQMFZBJNSA-N 437.500 1.659 0 40 IDAB COCCN1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(S(=O)(=O)c2ccc(F)cc2)CC1 96143546 CROFWCJWDBGNDM-ZWKOTPCHSA-N 425.526 1.015 0 40 IDAB COc1cc(CNC(=O)CCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1 100742450 VLNAWMFOCUFEON-ROUUACIJSA-N 439.512 1.908 0 40 IDAB COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 216598195 PQMKZDYILXCIJA-NAZDKBRTSA-N 447.491 1.589 0 40 IDAB CN1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3O2)CC1 253595844 JUUQJISEWBASJT-APNMAYFZSA-N 426.561 1.695 0 40 IDAB CCCc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](N2CCN(C(C)=O)CC2)CC1 257208401 BMAHMIWTGLQQSH-VXKWHMMOSA-N 441.576 1.505 0 40 IDAB COc1ccc(S(=O)(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1NC(C)=O 575424490 AOOAJYTYHRXSID-LSDHHAIUSA-N 446.547 1.010 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(Cc1ccn(C)n1)C2 1549168885 ZQQHNCDEMPGJRL-NRFANRHFSA-N 437.544 1.481 0 40 IDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 931254 YXHKYCUPYONBDS-HNNXBMFYSA-N 432.564 1.681 0 40 IDAB CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2112653 BTUGPQDIGOMNHI-YUNKPMOVSA-N 430.457 1.392 0 40 IDAB biogenic C[C@@H]1Sc2ccc(C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2NC1=O 8713601 CWDIOAURFUXFGI-JTQLQIEISA-N 435.483 1.562 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)c(F)c1 9373621 RSTDEJPGGQESID-UHFFFAOYSA-N 448.469 1.795 0 40 IDAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1cccnc1 9410659 MPGUKGMKCVIWQF-UHFFFAOYSA-N 448.520 1.444 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 9440569 CXRSLKMBXDZELD-UHFFFAOYSA-N 428.482 1.262 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 9806608 IJHBXBZFPVARJG-KRWDZBQOSA-N 449.504 1.420 0 40 IDAB O=C(NCc1ccc(N2CCOCC2)nc1)C1CCN(C(=O)OCC(F)(F)F)CC1 10719970 MRNMOESPJFCETB-UHFFFAOYSA-N 430.427 1.945 0 40 IDAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 12232044 YVIPSNDNRPNOHM-SGTLLEGYSA-N 437.909 1.143 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)NC(=O)N[C@@H]1C 12888255 BUYLENRVMRVWML-SECBINFHSA-N 444.271 1.785 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)Nc1ccccc1)n2C 13057982 DHUMAFLERBXYCD-UHFFFAOYSA-N 444.513 1.938 0 40 IDAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1c(C)[nH]c(=O)[nH]c1=O)OCCO3 13503655 MCFUFHSLNHTLGA-UHFFFAOYSA-N 428.470 1.984 0 40 IDAB COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)cc1OC 13856689 QCSZPKLMTWLSIF-QGZVFWFLSA-N 440.452 1.932 0 40 IDAB CCCCN(C(=O)c1cccc(-n2cnnn2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14720401 ICSNWOKGAMDJNR-UHFFFAOYSA-N 426.481 1.197 0 40 IDAB COc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2)cn1 19561903 SIGWQMXDOVRKOJ-LJQANCHMSA-N 435.484 1.724 0 40 IDAB CCCn1c(N)c(C(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)c(=O)n(C)c1=O 21168014 SGYJDEMAKSAUNY-UHFFFAOYSA-N 430.490 1.308 0 40 IDAB CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NCc1cccc(OC)c1 21713772 QUUSQYGXEZVNCM-UHFFFAOYSA-N 447.495 1.753 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)CN1CCN(C(=O)N3CCCCC3)CC1)CC2 23356524 PDRLBDLVLITIIC-UHFFFAOYSA-N 430.549 1.812 0 40 IDAB C[C@H]1C[C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)O1 32736531 QPIPEMAFTKTRNB-YVEFUNNKSA-N 425.459 1.106 0 40 IDAB CN(C(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)[C@H]1CCS(=O)(=O)C1 33325380 LGVFNYAPAORADA-STQMWFEESA-N 443.572 1.230 0 40 IDAB COC(=O)CNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 40051467 DYVCUGYGXUVMTM-SFHVURJKSA-N 425.441 1.959 0 40 IDAB O=C(COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O)N1CCOCC1 56949785 XMJDXYOPOOMHGX-UHFFFAOYSA-N 447.919 1.853 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 67287124 MQJMTSXZWRUCAY-IBGZPJMESA-N 446.504 1.640 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)CN2CCOc3ccc(Cl)cc32)c(=O)[nH]c1=O 78899741 NKLYDEKSGOVXNS-UHFFFAOYSA-N 435.912 1.824 0 40 IDAB COC(=O)c1ccc2c(=O)[nH]c(CN3CCN(C)C[C@@H]3CNC(=O)OC(C)(C)C)nc2c1 84240619 BGRXTCLYAWSEMX-HNNXBMFYSA-N 445.520 1.350 0 40 IDAB Cc1cnc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)NC(C)C)CC3)O2)cn1 96263222 JMGCERSQOACXFI-KRWDZBQOSA-N 427.509 1.106 0 40 IDAB CCN1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 249694909 PUGIRCRHHJYSCK-UOUMEPNKSA-N 426.561 1.695 0 40 IDAB O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1cccc(OCCN2CCCC2)c1 257289261 PXVFAYNTEUQMCL-HSZRJFAPSA-N 425.533 1.713 0 40 IDAB Cn1nccc1C(=O)N1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccccn1)C2=O 306131506 KGWAXGQHJAUKSD-AUSIDOKSSA-N 432.484 1.248 0 40 IDAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 524734151 COGHLRWWIHJDFN-UHFFFAOYSA-N 432.550 1.547 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 575421331 IXUYTFQZLXOODF-HZPDHXFCSA-N 427.500 1.057 0 40 IDAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)N1CCC(CO)CC1)C2 643576300 VVQSEUYZPIQRFE-UHFFFAOYSA-N 447.576 1.797 0 40 IDAB CN1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCN(C(=O)C2CCOCC2)CC1 1772595978 WWRQKGMYDIGMBN-OAQYLSRUSA-N 426.561 1.390 0 40 IDAB O=C(Cn1cnc(C2CC2)cc1=O)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1848597098 IHIJNDPTAHNUAQ-UHFFFAOYSA-N 437.475 1.909 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)COc2ccccc2Cc2ccccc2)c(=O)n(C)c1=O 3355771 CRLZZRJKASGXDK-UHFFFAOYSA-N 437.452 1.062 0 40 IDAB CN(C)c1ccc(-c2nnnn2[C@H]2CO[C@@H]3[C@@H](NC(=O)Nc4ccccc4)CO[C@H]23)cc1 3842005 QHEAIKZDGGZDSI-VNTMZGSJSA-N 435.488 1.935 0 40 IDAB biogenic,in-vitro COc1cc(-c2nnc(COC(=O)CN3C(=O)NC(C)(C)C3=O)o2)cc(OC)c1OC 9283476 MCOPDDZBMIYDSA-UHFFFAOYSA-N 434.405 1.136 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 9426576 ZMRQDWPLQGZICZ-MRXNPFEDSA-N 447.488 1.680 0 40 IDAB Cn1c(SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)nnc1-c1ccncc1 9812713 CLHMVKAXKJIVGR-FQEVSTJZSA-N 437.485 1.468 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2OC)n2nnnc2N1 10232159 TWMNDVBRUJXRON-QGZVFWFLSA-N 436.384 1.915 0 40 IDAB C[C@H](C(=O)NCc1ccccc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(O)c1 12705751 QLSKGCWFQUXTGE-GFCCVEGCSA-N 439.497 1.882 0 40 IDAB O=C(CCc1nc(-c2ccco2)no1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 12822385 VXYTZIVAVDWVAQ-UHFFFAOYSA-N 448.457 1.627 0 40 IDAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O 13147758 BHMMMCLXUJLZNJ-IBGZPJMESA-N 436.371 1.674 0 40 IDAB CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)c1 13847971 GFDQZVMIKKIGAV-UHFFFAOYSA-N 446.533 1.741 0 40 IDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)CC(=O)Nc3cccc(F)c3)C2=O)cc1 18006332 FOMVWXBOGZGFNZ-QFIPXVFZSA-N 426.448 1.998 0 40 IDAB O=C(NCCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1)c1ccncc1 19695958 LZNSZPMOZWBAAX-UHFFFAOYSA-N 432.484 1.933 0 40 IDAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(CC(=O)N3CCC3)CC2)n1 19756637 DOGCYGQERWTCET-UHFFFAOYSA-N 427.524 1.976 0 40 IDAB COc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 20033475 SAJFQJRUUVSEGX-UHFFFAOYSA-N 440.543 1.503 0 40 IDAB Cc1cc(C)cc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)c1 20533306 JFKJHWHOHFTVDY-UHFFFAOYSA-N 436.516 1.396 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2C(=O)CCOc3ccccc32)C1=O 23948819 LCNYAYJCFRZLJH-HSZRJFAPSA-N 436.468 1.777 0 40 IDAB COc1ccc(OCCN2CCN([C@@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 25066729 NRPCESUPFDAEIF-INIZCTEOSA-N 439.516 1.888 0 40 IDAB COc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(OC)cc4OC)sc3nc2=O)cc1 27021287 CMGXMMYSYLHYPA-YBFXNURJSA-N 437.477 1.676 0 40 IDAB C[C@@](N)(Cc1cc(I)c(O)c(I)c1)C(=O)O 35644108 PXCMIGZYZKLYAA-SNVBAGLBSA-N 447.010 1.946 0 40 IDAB in-vitro O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC(=O)NCc1ccco1 36408704 DVJHHXCKFJLQSE-UHFFFAOYSA-N 440.909 1.265 0 40 IDAB CN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2S1(=O)=O 40155143 FJUASHVEGXJZFO-UHFFFAOYSA-N 449.510 1.498 0 40 IDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 48326216 SHKBLGCSIDWVHT-LJQANCHMSA-N 430.484 1.002 0 40 IDAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccco3)cc2c1 57643147 KELNHKUDNBMYBX-UHFFFAOYSA-N 438.488 1.939 0 40 IDAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 58305992 LHAPGCZJXGVLTR-FQEVSTJZSA-N 436.622 1.863 0 40 IDAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(-n2cccn2)nn1 70641277 VGLAJNHLSYRCQN-UHFFFAOYSA-N 427.428 1.576 0 40 IDAB C[C@@H]1CCCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)Nc2ccccc2S(=O)(=O)N3)C1 72342470 MOJNBVJGCKZROS-ZOCZFRKYSA-N 434.562 1.746 0 40 IDAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)S(=O)(=O)N(C)C)n1 72391863 WHGQQAKJDLGZEE-INIZCTEOSA-N 432.550 1.273 0 40 IDAB O=C(N[C@@H](c1nccs1)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccn1 72394658 GCRUCQQUZSITPW-NVXWUHKLSA-N 448.570 1.683 0 40 IDAB Cc1nccn1-c1ccc(N2CCN(S(=O)(=O)CCOc3ccc(F)cc3)CC2)nn1 77197084 XBCSHXXXVWWZFJ-UHFFFAOYSA-N 446.508 1.641 0 40 IDAB O=C(CN1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1)Nc1ccccc1Cl 95956457 AASMFTPQISFESM-UHFFFAOYSA-N 443.935 1.968 0 40 IDAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N1CCN(C(C)=O)CC1)NC2=O 100181563 RXERCYCOZWSBFI-KEWOZMMASA-N 427.501 1.641 0 40 IDAB O=C(NC1CCCC1)[C@H]1N(Cc2ccccc2)C(=O)[C@H]2[C@@H](C(=O)NC3CC3)[C@H]3C=C[C@@]21O3 100432007 ZWWNKLNYFSHSJN-QNFRPBLGSA-N 435.524 1.675 0 40 IDAB O=C1Nc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)[C@]1(Nc1ncccn1)C(F)(F)F 101665890 VUPPVOCLWDLORV-GOSISDBHSA-N 432.362 1.391 0 40 IDAB O=C1C[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1F 102988119 FURFGKUPWNKBTQ-SFHVURJKSA-N 435.452 1.603 0 40 IDAB O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@H](N2C(=O)CSC2=O)C1 225704313 BBPVDTAOIWRENJ-LBPRGKRZSA-N 431.923 1.305 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)C[C@@H](NS(C)(=O)=O)c2ccc(OC)cc2)c2ccccc2O1 225953470 CGMXMGQMAFGZJB-APWZRJJASA-N 448.497 1.643 0 40 IDAB Cn1ccc(NC(=O)CN2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@@H]3C2)n1 257212143 CCCQIUBPKZFYBF-RTBURBONSA-N 425.533 1.971 0 40 IDAB COc1ccccc1[C@@H]1CN(CC(=O)Nc2ccc3c(c2)oc(=O)n3C)CCN1C(C)=O 257311320 UIXRNFFVCHNBMI-IBGZPJMESA-N 438.484 1.984 0 40 IDAB O=C1CCCN1CCOCC(=O)N1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 257311708 UKROVFQYRAXPBA-LJQANCHMSA-N 443.479 1.898 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C(N)=O)CC3)C2)cc1Cl 409392685 SUOMMFJQGOGKRF-AWEZNQCLSA-N 443.953 1.473 0 40 IDAB COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNCc4ccncc4F)[C@@H](O)[C@H]3O2)cc1 604381889 TWVGJQOHUXNWEX-JOCFFJSCSA-N 445.491 1.311 0 40 IDAB biogenic,in-vitro CC(C)[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)N1CCN(c2ncccn2)CC1 639519431 KOSQGLDYUDCAMD-JKSUJKDBSA-N 432.554 1.108 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@H](CC(N)=O)NC(=O)c2ccc(Cl)cc2)cc1 3251803 WKJGHUXIOPGHKG-INIZCTEOSA-N 433.848 1.504 0 40 IDAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccccc3OC)cc2C1=O 3508305 FZIHJYYQCLKVAD-UHFFFAOYSA-N 440.452 1.801 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](Nc2cccc(C)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4256078 GMHYNAOFGRHEHB-QSUVIHHLSA-N 437.445 1.490 0 40 IDAB CN(CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)Cc1ccc(Cl)s1 8982369 GJQUJJSNMNUKJL-UHFFFAOYSA-N 447.948 1.977 0 40 IDAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1cccnc1 9061024 CXKBTMMLSWXQSM-QGZVFWFLSA-N 448.520 1.444 0 40 IDAB CCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(CCOC)c(=O)c32)c2ccccc21 9189911 VXICMKJMELCVAJ-QHCPKHFHSA-N 439.468 1.191 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1 9223422 ZXSZRZSTROAFHL-UHFFFAOYSA-N 433.511 1.082 0 40 IDAB CN(C(=O)CSC(=S)N1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9255705 ZEYSUZUSNXQTKE-UHFFFAOYSA-N 433.559 1.244 0 40 IDAB CN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1N1CCOCC1 9335974 UYIARMXRWAQLQX-UHFFFAOYSA-N 429.521 1.241 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)NCc4ccccc4)[C@H]3C2=O)cc1Cl 9675053 QRQFQYWDQAJKGY-QZTJIDSGSA-N 427.848 1.958 0 40 IDAB CC1(C)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)C1=O 9816669 QKKZFKBZRGOCMB-UHFFFAOYSA-N 438.440 1.614 0 40 IDAB O=S1(=O)N=C(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccccc21 10036296 SRIIAFQTBPOWMZ-UHFFFAOYSA-N 425.919 1.795 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3CCCCCC3)CC1)O2 12087087 KDSFXIDNYNNWKA-HSZRJFAPSA-N 429.517 1.971 0 40 IDAB CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 12766503 NANKIULVFZBFIJ-UHFFFAOYSA-N 436.559 1.885 0 40 IDAB COc1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1S(=O)(=O)N1CCOCC1 13148616 LTBHVKWWXRNGNE-UHFFFAOYSA-N 439.515 1.936 0 40 IDAB Cc1csc(CC(=O)N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)n1 14070085 ASJDPTDBOSLIGS-UHFFFAOYSA-N 443.573 1.614 0 40 IDAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)CN1C(=O)c2ccccc2C1=O 16959552 CMEWIBYTTCQAOM-UHFFFAOYSA-N 429.454 1.470 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccco1 17094829 MUYOSAHYGNGVIT-RTBURBONSA-N 426.473 1.817 0 40 IDAB Cc1nc([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)nc2c1CCC(=O)N2C 19738850 GWFKAXRYGSAONW-AWEZNQCLSA-N 444.513 1.643 0 40 IDAB COC(=O)CSc1cc(=O)n(CCNc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]1 20365375 LAVXGQMHFBPFIZ-UHFFFAOYSA-N 438.815 1.981 0 40 IDAB COc1ccc(CNC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 20768914 PJJHKSHOAHEZMH-UHFFFAOYSA-N 431.514 1.412 0 40 IDAB COc1ccc(CNC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(OC)c1OC 22335132 AHGLBSQSNSUHPC-UHFFFAOYSA-N 426.466 1.934 0 40 IDAB Cc1cccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)c1C 22409182 IUDFPOJSEWKQSZ-UHFFFAOYSA-N 436.516 1.396 0 40 IDAB Cc1cc(NC(=O)CSCC(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)no1 23111616 NGKCMSXDXYQYCB-UHFFFAOYSA-N 440.547 1.658 0 40 IDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)[C@H]3C[C@@H]3C)CC2)c(C)c1C 24756737 ANMLTDWPEIYOMM-DJJJIMSYSA-N 435.590 1.834 0 40 IDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)CNC(=O)c1cc(Cl)ccn1 25522198 LLDCPQUNISRJOI-UHFFFAOYSA-N 431.880 1.441 0 40 IDAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCCN1CCOCC1)O2 30944586 IWNQBNQCXKEPRC-LJQANCHMSA-N 439.578 1.350 0 40 IDAB CCOc1ccc(N2C[C@H](C(=O)NCc3cccc(NS(N)(=O)=O)c3)CC2=O)cc1 32754068 VBFNLPNTSNHTCQ-OAHLLOKOSA-N 432.502 1.370 0 40 IDAB CCOc1cc2c(cc1NC(=O)CCCn1cnc3c1c(=O)n(C)c(=O)n3C)O[C@H](C)C2 32756289 FOHMJODXGJSQLN-CYBMUJFWSA-N 441.488 1.575 0 40 IDAB CCS(=O)(=O)N1CCC(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)CC1 32907618 GXXVPRQYFHTVEN-SFHVURJKSA-N 425.551 1.868 0 40 IDAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 32945386 SBXIUXJWCJDXET-CQSZACIVSA-N 434.470 1.697 0 40 IDAB COc1cccc(N2CCN(C(=O)c3snc4c(=O)n(CC(C)C)c(=O)[nH]c34)CC2)c1 49409887 ORCJLCQXTFZGDV-UHFFFAOYSA-N 443.529 1.773 0 40 IDAB CC(C)[C@H](C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1 72294134 IYKTYJTWAYQXGL-HXUWFJFHSA-N 440.562 1.750 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)N3CCOCC3)CC2)cc1 101482728 OHINISDXECQGMA-HDICACEKSA-N 437.562 1.055 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 108879033 FAERPQIMQZYLND-INMHGKMJSA-N 438.546 1.994 0 40 IDAB Cc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1S(=O)(=O)N1CCN(C)CC1 223174108 JTGIPHVMCFPUBJ-UHFFFAOYSA-N 428.536 1.337 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1 224392233 BGCNOXFGDKSLFG-QGZVFWFLSA-N 427.523 1.541 0 40 IDAB CN([C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1)S(C)(=O)=O 224587733 ATAOFTQTJTUMFF-OAQYLSRUSA-N 431.558 1.768 0 40 IDAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3Cl)C2)C(=O)N1Cc1ccccc1 225385984 AEWNXQJUQOOVNQ-QUCCMNQESA-N 425.916 1.899 0 40 IDAB biogenic,in-vitro Cc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C2CCCC2)[C@H]4C(=O)NC(C)(C)C)no1 245227367 KSBRUNIMBIHUGB-LIGBSTKKSA-N 442.516 1.929 0 40 IDAB O=C1NC/C=C/CC2(CCN(C(=O)c3ncc[nH]3)CC2)C(=O)NCCOc2ccccc21 257248819 JFJADYJXMJICPK-ONEGZZNKSA-N 437.500 1.517 0 40 IDAB Cc1n[nH]cc1C(=O)N1CCN(C)[C@@H](C(=O)N2CCC(Oc3cccc(F)c3)CC2)C1 257278170 OBDDJIITPWPLTD-HXUWFJFHSA-N 429.496 1.683 0 40 IDAB Cn1c(COCC(=O)N2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)nc2ccccc21 257328687 XGSCEPDVQRETFA-NHCUHLMSSA-N 447.495 1.588 0 40 IDAB O=S1(=O)C[C@@H](O)[C@H](N(c2cccc(O)c2)S(=O)(=O)c2cccc3cccnc23)C1 575426039 LFCCSZVGFSNALC-IAGOWNOFSA-N 434.495 1.294 0 40 IDAB O=c1ccc(-c2ccncc2)nn1CC1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1 585605552 CSGXOISYFGRSPS-UHFFFAOYSA-N 428.378 1.898 0 40 IDAB Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 679418460 NYDUEDIGBJBWPQ-KRWDZBQOSA-N 449.577 1.089 0 40 IDAB CC(C)CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)CCc1cncnc1)C2 1565550221 UZDMNTZAGALPFW-QFIPXVFZSA-N 425.537 1.119 0 40 IDAB Cn1c(=O)c2nc(SCC(=O)O)n(Cc3ccc(Cl)cc3Cl)c2n(C)c1=O 856069 BOBPONQWYVSEMC-UHFFFAOYSA-N 429.285 1.966 0 40 IDAB CCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nc2c1c(=O)n(C)c(=O)n2C 880949 VQSOOYDIFZAEGI-UHFFFAOYSA-N 445.501 1.361 0 40 IDAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1 4373910 MXXDERMISKKKKI-HNNXBMFYSA-N 442.501 1.710 0 40 IDAB Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)NC(=O)N(C)C1=O 8969870 CSZIBGKKHPBELW-BXKMTCNYSA-N 443.463 1.357 0 40 IDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCN1CCN(c2ccccc2F)CC1 9421493 XRRGDQBOUGQTAH-UHFFFAOYSA-N 439.495 1.336 0 40 IDAB COCCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(C)c1C)c(=O)n2Cc1ccccc1 9662176 VSGAWYMXSPYIRX-UHFFFAOYSA-N 449.511 1.893 0 40 IDAB O=C(NCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc(N2CCCC2=O)cc1 9782426 RXCLPYUOHACBBJ-UHFFFAOYSA-N 440.525 1.589 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1 11905966 MMXJHBKKECOSSR-UHFFFAOYSA-N 438.527 1.591 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)cc1 12116011 QDEDIQZNRJBYMV-CYBMUJFWSA-N 426.520 1.340 0 40 IDAB Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)nn2)n1 13009342 FPIMEVLJEOBUSI-UHFFFAOYSA-N 442.501 1.253 0 40 IDAB COc1ccc([C@H](CNC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)N2CCCC2)cc1 13115927 DGNSLTXMWAVFCK-FQEVSTJZSA-N 449.511 1.457 0 40 IDAB CCc1cccc(OC[C@@H](O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)c1 13990335 ODMMUERYFWVYOY-LBPRGKRZSA-N 437.294 1.199 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1=O 14022226 NUVBQWJKGIPKER-OAQYLSRUSA-N 441.488 1.216 0 40 IDAB C[C@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccccc1)S(C)(=O)=O 14155086 FJBYEMMKRGTTGA-CQSZACIVSA-N 425.532 1.876 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2nc(O)c3c(n2)CCN(Cc2cccs2)C3)C1 19583667 SLRUEWCPNPXBIH-CQSZACIVSA-N 437.591 1.788 0 40 IDAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](c2ncc(C(=O)N3CCOCC3)c(C)n2)C1 19757804 XDZFBQCOQRFPGL-MRXNPFEDSA-N 448.520 1.883 0 40 IDAB COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)n2N)c1 27546555 LMQOYBQJIWVATH-UHFFFAOYSA-N 441.513 1.999 0 40 IDAB CN1CCc2nc(NC(=O)CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)sc2C1 32722076 LMGQSKIQPNAEIM-NRFANRHFSA-N 425.514 1.853 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 32987856 JBPXBMHPVXIKNU-FPOVZHCZSA-N 435.590 1.861 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 38771271 BNICZCQURXROGJ-LJQANCHMSA-N 447.513 1.619 0 40 IDAB CS(=O)(=O)N1CCC(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 40030591 HCTSHEYKUCVMCX-UHFFFAOYSA-N 443.525 1.756 0 40 IDAB C[C@H]1CN(c2ccc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2F)C[C@@H](C)O1 40152619 QZOFNGQBTSZMJX-BETUJISGSA-N 443.522 1.888 0 40 IDAB Cc1cc(SCC(=O)O)nc(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 49468999 JLZCEWRIQOWHMC-UHFFFAOYSA-N 437.543 1.768 0 40 IDAB COC(=O)C[C@@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C1CC1 96004353 TVISZDHDZJKRFW-LJQANCHMSA-N 448.545 1.527 0 40 IDAB COC(=O)[C@H](CN1CCN(Cc2ccccc2)CC1)[C@](O)(c1nccn1C)C(F)(F)F 97003100 KWGYCQSTEKBKHR-PXNSSMCTSA-N 440.466 1.777 0 40 IDAB Cn1cc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CN[C@@H]3C=CS(=O)(=O)C3)CC2)n1 100731907 GTPNNFNMZJEONX-NZSAHSFTSA-N 443.573 1.772 0 40 IDAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](CN5C(=O)[C@H]6[C@H]7C=C[C@@H](C7)[C@H]6C5=O)(O4)[C@@H]3C2=O)cc1 102139854 GVMWDTYFFKRHRZ-ORZMKEJKSA-N 430.460 1.615 0 40 IDAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 222896562 WULTZEIIQQQPKJ-QGZVFWFLSA-N 447.557 1.667 0 40 IDAB O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224332087 XMJMYXCRHODAOK-UHFFFAOYSA-N 426.477 1.439 0 40 IDAB CCN(CC)c1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCN(C(C)=O)CC3)[C@@H]2O)c(O)c1 257240977 HWAQKZDUNMMGJR-KCZVDYSFSA-N 432.565 1.414 0 40 IDAB Cc1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257259120 KWXDCRCZJYMFLW-TXTKFYIRSA-N 427.549 1.297 0 40 IDAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5ccccc5CS(=O)(=O)N5CCCC5)[C@@H]4[C@@H]3[C@@H]12 503548744 RIYMNXRGLAFPML-VAPZOWIQSA-N 426.538 1.555 0 40 IDAB COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888930535 NXYHSBQKITZWAX-HUUCEWRRSA-N 428.518 1.437 0 40 IDAB O=C(Nc1cccc(Cl)c1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCOCC1)CO2 2332243246 VETAIJGGXAKXGG-INIZCTEOSA-N 429.926 1.072 0 40 IDAB COC(=O)C(C(=O)OC)[C@@H](c1ccccc1)C(Br)(C(=O)OC)C(=O)OC 2033587 UJPXBVHKLSUSDE-GFCCVEGCSA-N 431.235 1.212 0 40 IDAB Cc1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)c1 2134506 DXEGUBZOOFITMD-HLWREBGISA-N 434.489 1.835 0 40 IDAB biogenic COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccccc1 2697377 WTDSOXDVJNWKHG-LYHOESIGSA-N 431.473 1.731 0 40 IDAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8966231 VBZQKUSSOSJPQJ-UHFFFAOYSA-N 428.474 1.464 0 40 IDAB O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCN(C(=O)c2ccco2)CC1 9591123 SWVIHMCPBGZAAM-KRWDZBQOSA-N 447.513 1.335 0 40 IDAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)n1 9822205 JZPOQXWBRPQJSW-CQSZACIVSA-N 436.472 1.827 0 40 IDAB Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@@H](O)COc2ccc(Cl)cc2)n(C)c1=O 10385966 MSPFBJXHVNAPOU-CQSZACIVSA-N 433.896 1.127 0 40 IDAB O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 10704999 BZXZNEOSFXFBPI-GOSISDBHSA-N 445.516 1.683 0 40 IDAB COc1ccc(OC)c(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)c1 12069401 HJFBYTPUJIYSEU-UHFFFAOYSA-N 426.517 1.971 0 40 IDAB O=C(Cc1cccc2ccccc12)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1 12445006 AEIMQQRZBRSHMV-UHFFFAOYSA-N 439.541 1.441 0 40 IDAB Cc1ccccc1[C@H](OC[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 12535238 GMDDPZXFZRNDNK-WIYYLYMNSA-N 434.496 1.909 0 40 IDAB COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)cc1OC 13856688 QCSZPKLMTWLSIF-KRWDZBQOSA-N 440.452 1.932 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O 14109846 XJWMSDDCXXTRDY-UHFFFAOYSA-N 431.470 1.570 0 40 IDAB CCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 14197230 VSTCBTOSJQQXOV-UHFFFAOYSA-N 448.545 1.450 0 40 IDAB Cc1c(C(=O)N2CCO[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)cnn1C 19759800 VCLMIELXUHAHEK-JOCHJYFZSA-N 449.511 1.963 0 40 IDAB CNC(=O)c1cnc(C)nc1[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 19766951 YPDDSHMHYVRFRF-INIZCTEOSA-N 432.502 1.832 0 40 IDAB COc1ccc(-c2csc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)n2)c(OC)c1 22242450 LAYDRLQBHZTWDA-UHFFFAOYSA-N 440.547 1.343 0 40 IDAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(CCO)CC2)cc1OC 22875331 XCJCPPSKBDLPAE-KRWDZBQOSA-N 433.534 1.521 0 40 IDAB CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc2ccccc2c1 23115283 MZWKPRSXPLWSDD-KRWDZBQOSA-N 437.500 1.849 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1 31806764 DKGUGBKCGQMJFO-CQSZACIVSA-N 448.545 1.709 0 40 IDAB O=C(CN1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1)N1CCOCC1 35325769 CEVOUPNOAAJTKN-UHFFFAOYSA-N 434.924 1.083 0 40 IDAB O=C(CSc1nccn1-c1cccc(F)c1)N1CCN(CC(=O)N2CCOCC2)CC1 36385381 KCYIOWNVLPVBFX-UHFFFAOYSA-N 447.536 1.107 0 40 IDAB COc1ccc2cnn(CC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)c(=O)c2c1OC 40287749 DAFPOHADNIAEEB-UHFFFAOYSA-N 443.481 1.619 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3cccn3)nc2)CC1 48287322 KNLJXKCJOGWQRR-UHFFFAOYSA-N 431.478 1.411 0 40 IDAB COCCNC(=O)Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O 57504466 QYYURZMDNJVXQK-UHFFFAOYSA-N 428.836 1.629 0 40 IDAB Cc1ccc(=O)n(CC(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)n1 72337214 BXNZGFQIOHOYIA-UHFFFAOYSA-N 426.521 1.201 0 40 IDAB CC1=NN(C)[C@@H]2C(N3CCN(CC(=O)c4cccc(Br)c4)CC3)=NC=N[C@H]12 82086858 AWFOCXPRMSCNGN-MSOLQXFVSA-N 431.338 1.748 0 40 IDAB CN1CC[C@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H]1c1ccc(Cl)cc1 89745391 SMMMDIMMLNYZRL-DLBZAZTESA-N 427.892 1.461 0 40 IDAB Cc1cnc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)N4CCCC4)CC3)O2)cn1 96243850 AKXYPSNYFNHHQT-GOSISDBHSA-N 439.520 1.204 0 40 IDAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O 205779629 QNOZSWSHKAHPST-GZTJUZNOSA-N 448.497 1.912 0 40 IDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1cccc(CN2CCOCC2)c1 224742552 HUZPWOSZJHTJGR-UHFFFAOYSA-N 443.525 1.370 0 40 IDAB COC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc(C(=O)OC)c1 408584241 NJGVUVSWJQMTPF-LLVKDONJSA-N 438.433 1.704 0 40 IDAB COC1(c2ccccc2)CN(C(=O)CC(O)CC(=O)N2CC(OC)(c3ccccc3)C2)C1 561509991 APRQMRURRUDVKF-UHFFFAOYSA-N 438.524 1.896 0 40 IDAB COc1ccc(C(=O)NCc2c3c(c(OC)c4c2OCO4)C(=O)N(C)CC3)c(OC)c1 604404844 SWOOHPPAXRUUMV-UHFFFAOYSA-N 428.441 1.999 0 40 IDAB biogenic Cn1c(=O)c2c(nc(SCC(=O)NCc3ccco3)n2Cc2ccccc2)n(C)c1=O 930480 CCYLRKXEZBTFKS-UHFFFAOYSA-N 439.497 1.484 0 40 IDAB CCOC(=O)[C@@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OCC)cc1 6577958 ARSGWEAMUHEDJW-GFCCVEGCSA-N 445.501 1.677 0 40 IDAB aggregator COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 8825305 VVUJIBXKDFNKAW-FZKGZDJFSA-N 431.470 1.555 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O 8922958 MAXCYNYYCPOYTK-FQEVSTJZSA-N 428.518 1.985 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 9067997 UJHQPUOKJJBPRP-MRXNPFEDSA-N 429.454 1.371 0 40 IDAB COc1ccc(Nc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1 9097177 SUVRLROPMHRAOU-UHFFFAOYSA-N 434.456 1.825 0 40 IDAB COc1ccc(OC)c(NCCn2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 9421320 RRQSGZZTVNJSAK-UHFFFAOYSA-N 426.477 1.433 0 40 IDAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(OC)cc3OC)n2)cc1 9661028 YPFPLGSHCQNERO-UHFFFAOYSA-N 445.497 1.915 0 40 IDAB O=C(CSc1nncn1C1CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 10649416 GDZLYSLQOIYRKI-UHFFFAOYSA-N 437.547 1.042 0 40 IDAB Cc1ccc2c(c1)CN(S(C)(=O)=O)C[C@@]1(CCCN(C(=O)c3cn(C)nc3C)C1)O2 12087198 HOACDKMWEYGCQM-NRFANRHFSA-N 432.546 1.866 0 40 IDAB CC(C)C(=O)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 13016167 NQARLXOSVLDHIN-CYBMUJFWSA-N 446.367 1.443 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 13071345 FRJGGCMGZZVFCY-UHFFFAOYSA-N 434.543 1.661 0 40 IDAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCCOC)Oc2ccccc21 13679180 YRPAQPDVELPXGF-IBGZPJMESA-N 447.513 1.619 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCN1CCOCC1 13942041 UVFVXXXARYIBOS-UHFFFAOYSA-N 425.551 1.079 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 14236252 DYOLPZDVFCYQOA-MGPUTAFESA-N 432.546 1.731 0 40 IDAB CS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 16964615 LOAXKKHALVCMJI-IBGZPJMESA-N 430.482 1.357 0 40 IDAB CC(=O)NCC(=O)N(C)Cc1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 19697426 HTXPYEPUJZCXEY-OAHLLOKOSA-N 442.495 1.297 0 40 IDAB COc1ccc(-n2cnn(CN3CCN(CC(=O)N4CCCCC4)CC3)c2=S)cc1 22924458 PICMRWBZRHDCKS-UHFFFAOYSA-N 430.578 1.999 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)N(C(C)C)C(C)C)C(=O)N2CCN(C)CC2)cc1 22996802 KVOADEPYWAUIEM-UHFFFAOYSA-N 438.594 1.999 0 40 IDAB COc1ccc(C(=O)N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)CC2)cc1 23056881 MRGVRJFKVOQKTP-HJPURHCSSA-N 442.516 1.480 0 40 IDAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23074081 FCFXIAUXWZKLSU-NVXWUHKLSA-N 435.502 1.348 0 40 IDAB Cc1cc(N2C[C@@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2=O)ccc1Br 32796002 KOXJQICJXYZBTB-YVEFUNNKSA-N 429.336 1.804 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)CC1 35982193 WNCRYWLIMTVWMB-UHFFFAOYSA-N 427.482 1.981 0 40 IDAB COCCn1nnnc1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 57615877 FDIFZSQTCOLAOY-GOSISDBHSA-N 428.493 1.351 0 40 IDAB CCn1c(SCC(=O)N2CCC(C(N)=O)CC2)nnc1-c1sc2ncccc2c1N 64370103 LIDLSPYOKVGIIP-UHFFFAOYSA-N 445.574 1.973 0 40 IDAB CC(=O)N1CCC(N2CCOC[C@H]2c2nc(-c3ccc(S(C)(=O)=O)cc3)c[nH]2)CC1 67898823 NSXFNRGTQVHVHS-FQEVSTJZSA-N 432.546 1.864 0 40 IDAB biogenic,in-vitro CN1CCN(c2ncc(-c3cccnc3)c([C@H]3CCCN(C(=O)/C=C\C(=O)O)C3)n2)CC1 72338453 SRNUBFWGPHKKJT-MJRGOJFPSA-N 436.516 1.637 0 40 IDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccc2c(c1)CCO2 90607302 GHJQZHYCSQVFFB-FQEVSTJZSA-N 448.523 1.814 0 40 IDAB CCS(=O)(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CCOC)C2 96037186 QQIYSIROUDOUPO-UHFFFAOYSA-N 432.564 1.148 0 40 IDAB Cc1cccc(-c2noc(CNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)c1 219992330 IQENGZCVCVCUSG-UHFFFAOYSA-N 442.497 1.996 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222482305 DPEBKDYZQMXDAP-INIZCTEOSA-N 443.525 1.693 0 40 IDAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1 225092444 RJLBMQKZFPTPSD-UHFFFAOYSA-N 442.500 1.257 0 40 IDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCN)cc3)C2)c2cnccc2n1 257291254 QGGNKNNZEFVCAZ-DEOSSOPVSA-N 435.528 1.989 0 40 IDAB CC(=O)NCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 257298185 RKNUXTQXPSSURL-QGZVFWFLSA-N 439.491 1.508 0 40 IDAB COCC(=O)N1CCN(C2CCN(C(C)=O)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 585283029 OTBMTLRYGADYHJ-DEOSSOPVSA-N 447.576 1.215 0 40 IDAB O=C(Cc1ccccc1)N1CC[C@@H](O)[C@](O)(CNC2CCN(Cc3ccccc3)CC2)C1 585285645 LMTDRSZLSSTORW-RSXGOPAZSA-N 437.584 1.808 0 40 IDAB CCN(C(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O)[C@@H]1CCS(=O)(=O)C1 8710545 DIOHMEIPBLPABC-CYBMUJFWSA-N 434.543 1.659 0 40 IDAB Nc1cccc2c1C(=O)N(C(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1Cl)C2=O 8825829 WAACYMRXCSNDIW-UHFFFAOYSA-N 449.872 1.380 0 40 IDAB CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3)[C@H]1CCS(=O)(=O)C1 9003957 RSRRDECGOUUTPR-JTQLQIEISA-N 427.573 1.221 0 40 IDAB C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 9126564 RARNTAAKGRGZKO-LLVKDONJSA-N 431.923 1.143 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2ccc(F)c(F)c2)CC1 9570151 YZZZGTUWMZPVKE-UHFFFAOYSA-N 439.484 1.855 0 40 IDAB CCCCn1nnnc1COC(=O)c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 9959081 QOWYIHCHYJZZDN-UHFFFAOYSA-N 433.465 1.076 0 40 IDAB COc1ccc([C@@H](CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)N2CCOCC2)cc1 10027129 BOTCZPUZHUIGLK-PCCBWWKXSA-N 441.528 1.526 0 40 IDAB CCn1nnc2c(N3CCN(C(=O)COc4cccc(C(F)(F)F)c4)CC3)ncnc21 13533613 WGIUGMZHNMOTOC-UHFFFAOYSA-N 435.410 1.988 0 40 IDAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H]1CCS(=O)(=O)C1 14244816 REHMFTYTJJKYSF-AWEZNQCLSA-N 428.466 1.408 0 40 IDAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)n1 19573368 KACZEKDXDGZNPX-LJQANCHMSA-N 438.532 1.632 0 40 IDAB Cc1nc(C)n(CC(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ccccc34)C2)n1 19697792 GJOANOZAQBYXRP-INIZCTEOSA-N 443.529 1.432 0 40 IDAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)C(=O)CC2 19740826 GOTJNFIMGZHAJV-LJQANCHMSA-N 436.516 1.849 0 40 IDAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O 22829846 UGYZSAZMPRFHMC-OAHLLOKOSA-N 447.001 1.257 0 40 IDAB CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 22851477 OOSZCQNRABZPPB-GOSISDBHSA-N 428.464 1.280 0 40 IDAB CN(C)c1nc(N)nc(COC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)n1 25029526 HBPKOIKKRCDUKT-IGMNZBQBSA-N 428.537 1.770 0 40 IDAB O=C1C[C@@H](N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1 30518274 SPWNIQHFUQAPHI-HXUWFJFHSA-N 445.516 1.896 0 40 IDAB Cc1ccccc1C(=O)NC1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 32306905 RYBJJLMEUUVVIU-UHFFFAOYSA-N 448.531 1.465 0 40 IDAB COC(=O)CCN(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 40156812 NMWPQZWGTVNBJY-UHFFFAOYSA-N 442.534 1.377 0 40 IDAB CCS(=O)(=O)N1CCC(c2nc(NC)cc([C@@H]3CC(=O)N(CCOC)C3)n2)CC1 72341529 GMXJIUCIMLZLGI-OAHLLOKOSA-N 425.555 1.010 0 40 IDAB Cc1cc(C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)c(=O)[nH]c1C 72394928 AIQDGWGGNFNOPV-WMZOPIPTSA-N 426.517 1.461 0 40 IDAB CCOc1cc(CN2CCN(CCO)CC2)cc(Br)c1OCC(=O)N(C)C 95395492 FAJUNOMLXLAZEZ-UHFFFAOYSA-N 444.370 1.425 0 40 IDAB Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2cc3cccc4c3n(c2=O)CC4)o1 96116222 SMLPRQKVFXUVRZ-QGZVFWFLSA-N 436.464 1.906 0 40 IDAB biogenic CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3cccnc3)cn12 96156688 CBEKXNRXUONQFT-GOSISDBHSA-N 429.488 1.337 0 40 IDAB Cc1n[nH]c(SCCNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)n1 222656031 RYCSXCDUOPWDLS-UHFFFAOYSA-N 427.552 1.335 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 224238644 VXVZKWCMZHPOII-UHFFFAOYSA-N 431.514 1.873 0 40 IDAB C[C@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)C(=O)N1CCS(=O)(=O)CC1 510814883 PCKHCYJWRXYCPT-HNNXBMFYSA-N 429.498 1.314 0 40 IDAB CC(C)[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@@H]23 514288074 NBKVRNRJWWLJKF-DJEYIWCMSA-N 430.464 1.769 0 40 IDAB biogenic,in-vitro COC(=O)c1ccc(OC)c(S(=O)(=O)NCC2(N3CCSCC3)CCOCC2)c1 1888932244 NAVKROXCNLXCGZ-UHFFFAOYSA-N 444.575 1.358 0 40 IDAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)CCc1ccc2c(c1)n(C)c(=O)n2C 2037880127 DLDOQUGMYGBIKO-QHCPKHFHSA-N 438.532 1.090 0 40 IDAB CCN1CCc2c(sc(NC(=S)NC(=O)c3c(Cl)cnn3C)c2C(N)=O)C1 2750573 OTQKAHRUXNISID-UHFFFAOYSA-N 426.955 1.739 0 40 IDAB CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccc(Cl)cc1 3360900 JKHZMOCZKYXVHA-UHFFFAOYSA-N 434.909 1.573 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3c(C)noc3C)CC2)c(C)c1 3451346 CASNXHCLDNXXGA-UHFFFAOYSA-N 435.502 1.598 0 40 IDAB CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(Cl)cc1 9034228 MEUXRWPSGKEJIB-SQNIBIBYSA-N 443.836 1.637 0 40 IDAB CNC(=O)[C@@H]1CN(CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2O1 9547282 ZWPMVOUAYOEALF-XLIONFOSSA-N 443.525 1.220 0 40 IDAB Cc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1C 9783613 PLBPOEGJMXHIID-UHFFFAOYSA-N 428.514 1.867 0 40 IDAB COCCn1c(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nc2ccccc21 9882123 RRCBEHMOSGSHIF-UHFFFAOYSA-N 430.530 1.963 0 40 IDAB C[C@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1S(=O)(=O)c1ccc(F)cc1 10119337 JYAXGMOCPRYWQC-AWEZNQCLSA-N 440.518 1.987 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)Cc3cc(C(C)=O)ccc3OC)C2=O)cc1 10276294 XRMPFRLIKKVSSD-QFIPXVFZSA-N 425.441 1.947 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 12877966 ZSWNWNNPTANCAL-JOCHJYFZSA-N 430.505 1.923 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2cnc(-c3ccc(C)cc3)cc2=O)cc1 13807061 SBJZFZCLDCOYPW-UHFFFAOYSA-N 440.481 1.682 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCC(=O)NC(C)(C)C)ccc2Cl)C[C@H](C)O1 15175916 NYUQEKXZSSHTKY-STQMWFEESA-N 445.969 1.782 0 40 IDAB O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC(=O)[C@H]1CCCO1 19697827 XOEFGISFHLIBSY-LJQANCHMSA-N 425.489 1.403 0 40 IDAB CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)Cn4cccn4)C3)nc3ccccc23)CC1 19761533 RVAGKQKDIRKZOR-GOSISDBHSA-N 432.528 1.835 0 40 IDAB CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1F 22056624 WMJHGZFQHPCWQZ-PMKSDBMWSA-N 443.428 1.902 0 40 IDAB O=C(OCC(=O)N1CCNC1=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 24909208 KNYRWRKEHDLDMN-UHFFFAOYSA-N 437.861 1.849 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)CC1 29589321 KOPDWYILDMZUTN-UHFFFAOYSA-N 434.587 1.947 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 32816325 HJPJEAHJVXIGIW-HNNXBMFYSA-N 447.479 1.888 0 40 IDAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 36398566 FXBRIWSYXNDEKC-RTBURBONSA-N 445.516 1.982 0 40 IDAB COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1F)C(=O)OC 36569450 NKLDNPWHTWWIHH-QAPCUYQASA-N 434.424 1.319 0 40 IDAB O=C(COc1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 36708264 TZMFJPLMZHCSRC-UHFFFAOYSA-N 425.489 1.923 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)n1 40287455 PITWUNDKHFOUMQ-FQEVSTJZSA-N 428.470 1.796 0 40 IDAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 71279711 ZTDFGGWUBKMOTB-AWEZNQCLSA-N 436.921 1.646 0 40 IDAB NS(=O)(=O)CCN1CCN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1 72309848 VJOLMMNQNXDSFL-UHFFFAOYSA-N 431.518 1.377 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)C1 72325960 PVJBBSSEYOFUED-HJPURHCSSA-N 442.516 1.352 0 40 IDAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)N(C)S(=O)(=O)N1 72335125 NFBZOFQMQBAUTI-HUUCEWRRSA-N 431.440 1.966 0 40 IDAB COc1ccccc1[C@H](O)Cn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nn1 77197224 KFFSBIYNSWCYSP-QGZVFWFLSA-N 425.445 1.212 0 40 IDAB O=C(Cn1cc(NC(=O)C(=O)NCCCCNc2ccccn2)cn1)NC1CCCC1 79111339 NWNXSMAWUZIRRF-UHFFFAOYSA-N 427.509 1.284 0 40 IDAB CC[C@]1(c2ccc(OC(=O)c3ccc(N4CCCS4(=O)=O)cc3)cc2)NC(=O)NC1=O 84735390 ILDKHMQNLQWQFV-OAQYLSRUSA-N 443.481 1.890 0 40 IDAB CCN1CC[C@@]2(CN(CCOC)CC23CCN(S(=O)(=O)c2cccnc2)CC3)C1=O 96262659 XNNNUHGCFIFDRD-OAQYLSRUSA-N 436.578 1.053 0 40 IDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 102820539 HNDSQXBNXQYHSD-HUUCEWRRSA-N 425.407 1.727 0 40 IDAB COc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc(OC)c1 224322210 AGDPNMHCXYMYFS-UHFFFAOYSA-N 428.493 1.685 0 40 IDAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 252500956 UADYYEKFIHMAHG-UHFFFAOYSA-N 440.479 1.714 0 40 IDAB O=C1CCCN1CC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 257252601 JVJHEJJJCHCLMV-LJQANCHMSA-N 434.443 1.832 0 40 IDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCN2CCOCC2)cc1Cl 408606221 OGTBHXRNEFJEIE-CQSZACIVSA-N 433.958 1.244 0 40 IDAB O=C1[C@H]2C3C=CC([C@H]2C(=O)N1c1cccc(O)c1)[C@H]1C(=O)N(c2cccc(O)c2)C(=O)[C@@H]31 2065413 CEYMZESSFHGLPA-ICDVORIESA-N 430.416 1.825 0 40 IDAB CCCCN1C(=O)NC(=O)/C(=C(\C)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O 4313022 QTRDZROVMFGFMI-XIDKLXSXSA-N 426.473 1.994 0 40 IDAB CCOCCCNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6195258 MCCDKKFLNAIHFM-UHFFFAOYSA-N 448.589 1.964 0 40 IDAB C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)c1c[nH]c2ccccc12 8708524 AFESBGMMKMKSJM-OLZOCXBDSA-N 431.470 1.448 0 40 IDAB C[C@@H](Cc1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1)c1ccccc1 9095423 OXKVGGHNPKIQRK-LBPRGKRZSA-N 439.501 1.270 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C2)cc1 9134624 RFXMENYQOLYYAP-GOSISDBHSA-N 444.557 1.840 0 40 IDAB COc1cc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc(OC)c1 9674862 YRIQNYYRZFVXLA-ROUUACIJSA-N 427.392 1.775 0 40 IDAB CC(C)(C)c1ccc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)OC[C@@H]2CCCO2)cc1 12137042 WAODDSGIKJYOAQ-RBUKOAKNSA-N 432.517 1.802 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 12577696 PBWXVGSYCQIXHB-UHFFFAOYSA-N 434.294 1.924 0 40 IDAB CC(C)(C)n1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12971839 ZENHRKZCCNMBDD-UHFFFAOYSA-N 442.542 1.192 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCN(c2ccccc2)CC1 13070252 DFNBUENKWPQSCU-UHFFFAOYSA-N 432.546 1.706 0 40 IDAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2ccc3nncn3n2)CC1 13847779 UONLSRFGMZYYME-UHFFFAOYSA-N 428.396 1.534 0 40 IDAB C[C@H](C(=O)NCCN1CCCC1=O)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 19080105 RCLIBBSCKVQHFQ-WAIKUNEKSA-N 427.501 1.530 0 40 IDAB Cc1ncc(C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)c(C)n1 19552417 QJBPEYIKZQIJOT-UHFFFAOYSA-N 430.530 1.922 0 40 IDAB Cc1nonc1C(=O)NCC(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 19713114 DDIZCWODKTYMAO-MSOLQXFVSA-N 425.489 1.680 0 40 IDAB C[C@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@H](C)O1 20548247 BJTOWIKGLXDSPI-RYUDHWBXSA-N 435.887 1.873 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCNC2=O)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 22918820 CWYGAFFYHGLASC-UHFFFAOYSA-N 447.845 1.467 0 40 IDAB Cn1nc(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)c2ccccc2c1=O 30025080 PMHCKLVWRTVVEQ-UHFFFAOYSA-N 426.404 1.138 0 40 IDAB CCCn1c(N)c(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)[nH]c1=O 34863348 XCPOZGZQHXBSQP-UHFFFAOYSA-N 439.438 1.553 0 40 IDAB CN1CCN(c2ncc(-c3cccnc3)c([C@@H]3CCCN(C(=O)/C=C\C(=O)O)C3)n2)CC1 72338452 SRNUBFWGPHKKJT-HPFMTEOYSA-N 436.516 1.637 0 40 IDAB COC(=O)c1ccoc1CN1CCN(Cc2occc2C(=O)OC)[C@@H](C(=O)N(C)C)C1 79103759 BBHRDWVHZTZFOD-MRXNPFEDSA-N 433.461 1.220 0 40 IDAB CN(C)S(=O)(=O)N1CCN(Cn2nc(-c3ccc4ccccc4c3)ccc2=O)CC1 79475824 WDJYETMADZBIPZ-UHFFFAOYSA-N 427.530 1.445 0 40 IDAB CCc1c(C(=O)N2CCN(Cc3cccs3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 89280386 DXOOBYGVZZANLD-UHFFFAOYSA-N 427.530 1.214 0 40 IDAB O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 95455449 NPGBSFXGYAKKNF-UHFFFAOYSA-N 432.333 1.898 0 40 IDAB O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)NCc1ccncc1 101473570 YGTHQSSMYZYAAZ-IZAXUBKRSA-N 444.557 1.599 0 40 IDAB CCCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)ccc1OC 222922105 ADGLBQCHQFMPNK-GOSISDBHSA-N 448.497 1.964 0 40 IDAB O=C(COc1ccc(F)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224491479 FJSWUFWTKBHOLE-UHFFFAOYSA-N 438.477 1.421 0 40 IDAB CC(C)c1nc2c(s1)CN(C(=O)N1CCOCC1)CC21CCN(S(C)(=O)=O)CC1 306136536 PWDMGSBICGGSDB-UHFFFAOYSA-N 442.607 1.828 0 40 IDAB COc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)c1 408615771 SAQGRPGTBVDZQN-HZPDHXFCSA-N 441.484 1.563 0 40 IDAB COc1cc([C@@H](CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O 524731440 XYBBCSLUKDMCAQ-ZIAGYGMSSA-N 437.470 1.193 0 40 IDAB biogenic Cc1ccc(C)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2C(=O)C(Cl)(Cl)Cl)c1 575424713 VXRJMHXMUQHTRD-QWRGUYRKSA-N 448.777 1.934 0 40 IDAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(S(=O)(=O)N5CCCCCC5)C[C@H]4C3)ncn2)n1 585616162 OTZJMYARHMQIBE-RTBURBONSA-N 445.593 1.768 0 40 IDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)n1 678884415 IODAFKSPRLNUHW-HNAYVOBHSA-N 434.522 1.445 0 40 IDAB O=C(NCC[C@@]1(O)C(=O)Nc2ccccc21)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1153785991 KHPRYDNCFGYJPO-ICPLQIHGSA-N 439.468 1.105 0 40 IDAB CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1 2653573 ZXUHBXRARMLLSJ-UHFFFAOYSA-N 436.361 1.792 0 40 IDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nnc(Nc2ccc(C)cc2)s1 8670869 WNKIAMMSXRHCFR-CYBMUJFWSA-N 435.531 1.572 0 40 IDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 8762417 SLUJUBAKBITNKB-UHFFFAOYSA-N 434.518 1.761 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OCC)cc2)n(C)c1=O 9160469 OISQEZAAGCETRT-CQSZACIVSA-N 441.488 1.646 0 40 IDAB Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)s1 9245525 ITCCPUCBOGDKMM-UHFFFAOYSA-N 425.507 1.459 0 40 IDAB CN1C(=O)N(CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)C(=O)C12CCCCC2 9337474 KEPJVNHJHFCYOB-QGZVFWFLSA-N 433.530 1.804 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](NC(=O)N2CC(=O)Nc3ccccc32)C(C)C)CC1 9418977 HNRJWJWDXRTZFI-IBGZPJMESA-N 430.505 1.981 0 40 IDAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4cc(C)ccc4OC)c(C)cn23)n(C)c1=O 9713094 FRTSKIMYKCUJTA-UHFFFAOYSA-N 439.472 1.717 0 40 IDAB COc1cccc([C@@H]2CN(C(=O)CN3CCC[C@H](C(N)=O)C3)C[C@H]2c2csnn2)c1 12163132 OETLOGFGTYUCDC-RYQLBKOJSA-N 429.546 1.454 0 40 IDAB Nc1nc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)nc2sc3c(c12)CCCC3 12516570 QGGQWNPLWABWMU-UHFFFAOYSA-N 445.526 1.693 0 40 IDAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(OC(F)F)cc1 12981920 JMRMOIIMZKIGOT-DOMZBBRYSA-N 430.429 1.988 0 40 IDAB COc1ccc(Cn2nnnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 13128522 MDZVDXYWQXWUHF-UHFFFAOYSA-N 442.501 1.400 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2C[C@@H](C)C[C@@H](C)C2)cc1 13375887 ARXZJZMIJROZJC-FTUNRGFVSA-N 428.576 1.562 0 40 IDAB COc1ccc(CNC(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cc1 23135233 XNQGUZHPGUPUJN-UHFFFAOYSA-N 443.458 1.977 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1C(N)=O 25050409 KYUUAADARZVVNJ-UHFFFAOYSA-N 444.557 1.716 0 40 IDAB O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 32833287 GKVKQPYSEBQTOW-LJQANCHMSA-N 435.452 1.991 0 40 IDAB Cc1ccc(S(=O)(=O)C2(C(=O)OCc3cc(=O)n(C)c(=O)n3C)CCCC2)cc1C 32865277 YWHHYWWTZSBVJB-UHFFFAOYSA-N 434.514 1.531 0 40 IDAB CC(=O)NCc1cnc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc1C(F)(F)F 72356236 PRFYDEVJSLDEDN-OAHLLOKOSA-N 431.440 1.996 0 40 IDAB COC(=O)[C@H]1CN(C(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)c2ccccc2O1 225943539 XRSAAPIKTJDQKO-CRAIPNDOSA-N 436.461 1.773 0 40 IDAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(CC(=O)Nc1ccccc1F)CC2 257270784 MVQGRENJGNYRPT-HNNXBMFYSA-N 426.496 1.990 0 40 IDAB COc1ncccc1CN1CC[C@]2(Cc3nn(Cc4ccc(F)cc4)c(=O)c(=O)n3C2)C1 306133628 MRSQCUPBLAWFST-QHCPKHFHSA-N 437.475 1.444 0 40 IDAB Cc1nc(CN2CC[C@]3(CN(C(=O)c4ccnn4C)C[C@H]3c3cn(C)cn3)C2=O)cs1 306138806 SHYBQIBLPFIMKM-HRAATJIYSA-N 439.545 1.577 0 40 IDAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(OC)ccc2OC)cc1 408550830 FPKZPFVGTALHSE-UHFFFAOYSA-N 429.429 1.574 0 40 IDAB O=C(CN1CC[C@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2)N1CCCC1 585101719 BBUADQIKOBRECK-QFIPXVFZSA-N 426.496 1.709 0 40 IDAB Cn1cnc(S(=O)(=O)N2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)c1 606440784 COKODEBSVIVYKA-UHFFFAOYSA-N 431.493 1.884 0 40 IDAB CN(CCN(C)C(=O)C(=O)c1cnn(C(C)(C)C)c1)C(=O)C(=O)c1cnn(C(C)(C)C)c1 614144183 YYOJDFXMDQYGNK-UHFFFAOYSA-N 444.536 1.572 0 40 IDAB CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccc(F)c(F)c2)CC3)C1=O 1204224701 RFRVGPLFFKHIFP-FQEVSTJZSA-N 427.517 1.671 0 40 IDAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)Nc1cccc(OC)c1)CC2 1772595448 XVGYLFGUEUOVJJ-LJQANCHMSA-N 431.537 1.124 0 40 IDAB Cc1ccc(C(=O)COC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 1837850 PSYXXVJJAPMZAQ-GOSISDBHSA-N 443.477 1.820 0 40 IDAB O=C1Nc2ccc(Cl)cc2/C1=c1/sc2n(c1=O)CN(c1ccc(C(=O)O)cc1)CN=2 2430037 HPGQNXOGYVHXSZ-NXVVXOECSA-N 440.868 1.467 0 40 IDAB O=C(Cc1ccccc1)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 3623113 OAFSPDBCOWXMSS-HXUWFJFHSA-N 444.369 1.594 0 40 IDAB Cc1cccc(OC[C@@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 7425570 UTGMBHRCKXNUEY-INIZCTEOSA-N 427.505 1.408 0 40 IDAB CCOC(=O)c1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccccc2)cc1 8848689 SIYACPUKAREEOA-UHFFFAOYSA-N 435.440 1.372 0 40 IDAB COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c3=O)cc1 8849149 UYWJCPYOXZYWEK-UHFFFAOYSA-N 429.383 1.482 0 40 IDAB COc1cccc([C@]2(C)NC(=O)N(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)C2=O)c1 9244877 MWAFOJKENHDGAU-QHCPKHFHSA-N 449.467 1.753 0 40 IDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccnc1Sc1ccccc1 9245453 CUKCGZGYWPAPEQ-HNNXBMFYSA-N 433.555 1.998 0 40 IDAB O=C(Cn1cnc2c(nnn2-c2ccc(OC(F)(F)F)cc2)c1=O)NC[C@H]1CCCO1 9517809 SBBNKVRIPGQGOS-CYBMUJFWSA-N 438.366 1.171 0 40 IDAB O=C(CSc1nnc([C@H]2CCS(=O)(=O)C2)o1)NC[C@H]1COc2ccccc2O1 9548886 QHRMKMRHTGUSFM-RYUDHWBXSA-N 425.488 1.020 0 40 IDAB COC(=O)c1cc(NC(=O)COC(=O)CCn2c(C)csc2=O)cc(C(=O)OC)c1 9633224 ZFCOXDFYDLMLCW-UHFFFAOYSA-N 436.442 1.363 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)CSc2nc(=O)[nH]c(C)c2C(=O)OCC)n1 10213767 ZKTLKOCDMLLUKJ-UHFFFAOYSA-N 440.503 1.548 0 40 IDAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1ccc(F)cc1 11905962 VTAYORAEJSJRRM-UHFFFAOYSA-N 426.491 1.722 0 40 IDAB O=C(Cn1ncc2ccccc2c1=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142358 OVMASOOSIWBXSA-UHFFFAOYSA-N 439.497 1.119 0 40 IDAB Cc1cc(Br)ccc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12782708 LPJDMXZKSYWYSH-GFCCVEGCSA-N 428.308 1.862 0 40 IDAB CCCCn1nnnc1COC(=O)c1ccc(OCC(=O)N2CCOCC2)c(OCC)c1 13097488 AHYDCIOTSOEIQT-UHFFFAOYSA-N 447.492 1.467 0 40 IDAB C[C@H](Oc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1)C(=O)NC1CCCCC1 13566673 JGSYPNVVZMGUTL-HNNXBMFYSA-N 437.562 1.789 0 40 IDAB O=C1NCCN(C(=O)CCc2ccccc2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164451 KQYQMTAMRFCRBF-QFIPXVFZSA-N 434.540 1.685 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CSC(=S)N3CCCC3)CC2)cc1 15411707 AAQSAMGTLGHWCH-UHFFFAOYSA-N 443.616 1.642 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3cccc(F)c3)C1)C2=O 19699616 RMBNHTHYLXDJMF-QGZVFWFLSA-N 430.480 1.753 0 40 IDAB O=C(NCCO)c1cc([C@@H]2CN(C(=O)CN3CCCCCC3)CCO2)nc2ccccc12 19759426 UZIWGGCWBCZZGD-QFIPXVFZSA-N 440.544 1.733 0 40 IDAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCCN1CCOCC1 19938268 WENZYESBDUWTFG-UHFFFAOYSA-N 435.521 1.860 0 40 IDAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc2c(c1)OCCO2 20726953 IFXGTZMCUSNQNR-AWEZNQCLSA-N 425.397 1.636 0 40 IDAB COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CCN(C)CC2)cc1 22795232 SVXNBNUNONSTQS-OAQYLSRUSA-N 428.508 1.555 0 40 IDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 22796350 LVAAHOKQBQCEBG-FQEVSTJZSA-N 442.491 1.656 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)CNC(=O)[C@@H]3C[C@@H]3C)c2)cc1 23190413 VOPXWRMELMSDCT-BLLLJJGKSA-N 433.486 1.912 0 40 IDAB CC(C)CN1CCO[C@H](CSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 23701743 TWKXAILBHAGNNW-KRWDZBQOSA-N 428.624 1.467 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 26041487 PCNCUPMQPUDSPE-UHFFFAOYSA-N 449.460 1.567 0 40 IDAB CCOC(=O)C1=C(CN2Cc3ccccc3C[C@H]2C(=O)NC)NC(=O)N[C@@H]1c1ccco1 26917325 LDAZPUDDUJMEIJ-FXAWDEMLSA-N 438.484 1.624 0 40 IDAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)cc1 33935996 JESAKGFQNKXLOS-BNNUVZMISA-N 434.489 1.835 0 40 IDAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3ccncc3)C(=O)[C@H]1C2 36575758 BJCDIAXAVLFRJS-GOSISDBHSA-N 438.484 1.884 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1cccc(NS(C)(=O)=O)c1 38488409 WTFDNNYGRJGWHO-INIZCTEOSA-N 440.547 1.412 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)o1 40116461 BNZOWCZBERDWHL-LJQANCHMSA-N 435.458 1.268 0 40 IDAB O=C(NCc1cccc(OCc2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 48288256 GHFARSPWAHQPRP-UXHICEINSA-N 442.537 1.917 0 40 IDAB COC(=O)[C@@H](C)CN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccccc1 60333687 XJMJLJCWKSDSOO-INIZCTEOSA-N 445.541 1.534 0 40 IDAB O=C(c1ccc[nH]c1=O)N1CCCN(C(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1 69384779 KNNPMKHBTGIQOH-GOSISDBHSA-N 440.525 1.265 0 40 IDAB COc1ccccc1OCCc1cc([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n[nH]1 72371768 DFOBZDPRINOGEL-OAHLLOKOSA-N 431.518 1.952 0 40 IDAB O=C(NCCCCN1CCN(CCO)CC1)c1ccc(I)c(F)c1 89768285 OHJXKGLWRVFTNE-UHFFFAOYSA-N 449.308 1.550 0 40 IDAB Cc1nn(C)cc1-c1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C[C@@H]1CCCO1 95443931 IOUUEPBVQGPEOJ-INIZCTEOSA-N 445.545 1.945 0 40 IDAB COCCCN1C(=O)[C@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 97514678 NKZXHBWKHXAHSY-KCOOYEKVSA-N 435.480 1.392 0 40 IDAB O=C1CCCN1CCOCC(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 100145875 JFOOFPAJIGGVTJ-OALUTQOASA-N 426.517 1.560 0 40 IDAB Cc1ccc(N2C(=O)[C@H]3NN=C(C(=O)CCN4C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 100916780 JIPMAJYWEQFPSK-MJGOQNOKSA-N 430.420 1.068 0 40 IDAB COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)CCN1C(=O)COc2ccccc21 103994855 YOJJRZWHPXBMHE-WOJGMQOQSA-N 434.470 1.325 0 40 IDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1Cc1ccccc1CN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 104161681 AFZBOEIXLDLNRS-AOOVSPCUSA-N 436.464 1.011 0 40 IDAB O=C(CCNS(=O)(=O)c1c(F)cccc1F)N1CCC(N2C(=O)CSC2=O)CC1 206980864 VVMMICZRZYLUJV-UHFFFAOYSA-N 447.485 1.320 0 40 IDAB CC(=O)NCC(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 257279578 OHGXCASVGPPENN-QFIPXVFZSA-N 435.496 1.198 0 40 IDAB Cc1nc2cc(CCC(=O)N3CC[C@H](n4cc(C)c(O)nc4=O)[C@@](C)(O)C3)ccc2[nH]1 257286543 PLZDTQUGYSPOFW-AVRDEDQJSA-N 425.489 1.599 0 40 IDAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)nc12 257367387 HVJHKAVTDOABKM-XAMWDVODSA-N 447.495 1.105 0 40 IDAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OC 408591677 JBMBXPYDWABLMY-RUDMXATFSA-N 432.170 1.286 0 40 IDAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCCn1ccnc1 408595687 SPFRWYWCOONLSC-UHFFFAOYSA-N 442.541 1.989 0 40 IDAB Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H](C)O)CC3=O)cc2)c1 408614753 HGWSNKNGJJZGRY-IRXDYDNUSA-N 425.485 1.862 0 40 IDAB COc1cccc(N2C[C@H](C(=O)N3CCCN(c4ccc5nncn5n4)CC3)CC2=O)c1 1775968143 KGKRUAJDQQPOIF-MRXNPFEDSA-N 435.488 1.225 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)CC1 886322 AGSRGYDMNNSWNA-UHFFFAOYSA-N 433.914 1.415 0 40 IDAB O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)NCC(F)(F)F 3322886 GOTZNBZQKBFDHP-LBPRGKRZSA-N 428.816 1.715 0 40 IDAB COc1ccccc1CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 4195297 VERGHHDXGDIDDY-UHFFFAOYSA-N 432.498 1.953 0 40 IDAB CCCCNC(=O)CN(CC(=O)NCCCC)S(=O)(=O)c1ccc(OC)c(OC)c1 9114380 GVGPZQBQAHUEFS-UHFFFAOYSA-N 443.566 1.527 0 40 IDAB COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1 9262522 ZAJYTPDEVOIYHF-UHFFFAOYSA-N 432.531 1.984 0 40 IDAB O=C(COC(=O)/C=C/C(=O)N1CCN(c2ccccc2)CC1)NCc1ccc(F)cc1 9510148 MOPMNABCGIMNGP-ZHACJKMWSA-N 425.460 1.890 0 40 IDAB C[C@@H]1CN(C(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C[C@@H](C)O1 9519665 JDOBSXMMOWCRCX-IAGOWNOFSA-N 447.557 1.673 0 40 IDAB C[C@@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N(C)C)cc1 9551278 AELJXFIXWMQNPJ-CQSZACIVSA-N 444.513 1.752 0 40 IDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)c1 9690060 KOAAGYHJPRCJAP-SNVBAGLBSA-N 446.938 1.538 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccncc2)c1 9715718 CTRUEXSAYDQVEA-SFHVURJKSA-N 430.530 1.284 0 40 IDAB CCOc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1nnnn1C 9814961 JZUGEOWTKPGAFZ-UHFFFAOYSA-N 430.490 1.710 0 40 IDAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1cccc(N2C(=O)CCS2(=O)=O)c1 11998257 MLTWFNABXYNZJZ-UHFFFAOYSA-N 449.510 1.545 0 40 IDAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 12220998 ZXGVFLMWKSXKIW-KRWDZBQOSA-N 435.594 1.878 0 40 IDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Br)ccc1-n1cnnn1 12388867 ROBMOHQAMQAAJO-HNNXBMFYSA-N 430.262 1.939 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12391766 VDEWRZKVGBNOOF-MRXNPFEDSA-N 431.489 1.712 0 40 IDAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12677156 AORSJTXAVVLNSA-LJQANCHMSA-N 433.530 1.867 0 40 IDAB Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1S(N)(=O)=O 12679782 UCSJONWUUYHHOF-CYBMUJFWSA-N 434.470 1.448 0 40 IDAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnnn3C[C@H]3CCCO3)ccc21 13163938 RFMUZVAHUHQUFO-OAHLLOKOSA-N 437.547 1.539 0 40 IDAB COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)cc1 13371511 UDSXZUGZJVZMSR-OALUTQOASA-N 427.519 1.606 0 40 IDAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 13557161 RLNSBAMKDYAREE-AWEZNQCLSA-N 430.482 1.875 0 40 IDAB biogenic Cc1cc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)n(C)n1 13614873 ZOIKJECTYGXNKR-UHFFFAOYSA-N 436.519 1.879 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CCN(C3CC3)CC1)n2C 14528473 DHJLZSIQVUQXHJ-UHFFFAOYSA-N 433.578 1.499 0 40 IDAB CCOC(=O)C1=C(CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)NC(=O)NC1 15546150 JCONBAKTKNGJOA-IBGZPJMESA-N 428.489 1.397 0 40 IDAB CC(C)C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 16778952 HUYQJPSECCTJSR-VGVSJJQXSA-N 431.514 1.494 0 40 IDAB Cc1ccnn1CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 19238399 ZEINFALOLKFODH-QGZVFWFLSA-N 438.532 1.366 0 40 IDAB COCCn1nnnc1[C@H](c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19594052 GLUSAUIWHCBMJD-QFIPXVFZSA-N 436.516 1.955 0 40 IDAB Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)Cn3cccnc3=O)CC2)n1 19758542 UVXCBSCOPSDRPL-UHFFFAOYSA-N 448.527 1.388 0 40 IDAB COc1ccc(CCN2C[C@@H](C(=O)N[C@H](C)c3nnc4n3CCC4)CC2=O)cc1OC 58329537 RTRBNMNTYDMHQH-ZBFHGGJFSA-N 427.505 1.510 0 40 IDAB CCc1ccc(-n2c(O)nc3nc(N4CCN(c5ncccn5)CC4)ncc3c2=O)cc1 67264258 DOFLKCFMSDSJNE-UHFFFAOYSA-N 430.472 1.560 0 40 IDAB COCCCN(C)CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 72295869 NTXOMLJTIXLWIX-IAGOWNOFSA-N 427.567 1.183 0 40 IDAB CCn1cc([C@H]2C[C@@H](C(=O)Nc3cc(Cl)ccc3O)N(C)S(=O)(=O)N2)c(C)n1 72335012 RRKYNLKOYXESEC-HIFRSBDPSA-N 427.914 1.789 0 40 IDAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCC(N2CCS(=O)(=O)CC2)CC1 95996029 OYAXAYNKTWSTKB-UHFFFAOYSA-N 445.532 1.441 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)cc21 96025692 PJDDOIAOTHHHRM-UHFFFAOYSA-N 431.470 1.334 0 40 IDAB O=C(CN1CCN([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1)N1CCCCC1 102510934 SGPKARZTWNCMAV-SFHVURJKSA-N 436.915 1.741 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)s1 224285566 NITOTBLSTHADRO-UHFFFAOYSA-N 445.548 1.472 0 40 IDAB COc1ccc(CCN(CC(=O)O)C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)cc1 257313722 UTUXISDTPISTRC-FGZHOGPDSA-N 426.469 1.749 0 40 IDAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CN(C(=O)CCn3c(C)cc(C)nc3=O)CCO2)n1 257341732 ZLTIBKDHTCODGL-NRFANRHFSA-N 436.516 1.954 0 40 IDAB NS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)s1 522798504 PKHWBYQMSLQODG-UHFFFAOYSA-N 448.570 1.864 0 40 IDAB CC(=O)N1CCC(C(=O)NS(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C(C)C)O3)CC1 585281629 NOPYBWVCNZJAEF-SFHVURJKSA-N 437.518 1.414 0 40 IDAB CCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2c1c(=O)n(C)c(=O)n2C 880832 MFIQGXGVTRRDDM-UHFFFAOYSA-N 445.501 1.361 0 40 IDAB NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3cccs3)C(=O)N12 2967749 RYVTVDIICGBXAC-CQSZACIVSA-N 427.511 1.632 0 40 IDAB CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(Cl)cc1 9034229 MEUXRWPSGKEJIB-KSZLIROESA-N 443.836 1.637 0 40 IDAB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NC[C@@H]1CCCO1 9335210 JUXHZLFORPWHHB-SFHVURJKSA-N 432.498 1.617 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccnn2Cc2ccco2)cc1 9670197 OTZFSHMJDFTUMR-UHFFFAOYSA-N 431.474 1.742 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 9882735 OAJHKNQHCAOPLW-UHFFFAOYSA-N 442.472 1.457 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OCC)c(C)c2)CC1 10301450 FRCOSWRWYVLLPN-UHFFFAOYSA-N 427.523 1.315 0 40 IDAB Cc1cccc(OC[C@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1 10386236 CSYSNLFOGBBOKG-OAHLLOKOSA-N 439.472 1.387 0 40 IDAB CCOC(=O)[C@H](NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)C(C)C 12085668 QOTWJSUCPZQIEC-DENIHFKCSA-N 431.489 1.222 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1ccc2ccccc2c1 12444948 IAIKCVMVLRLXKC-UHFFFAOYSA-N 425.514 1.512 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)cc1 12809417 NKPFXWLPISKPHR-IBGZPJMESA-N 430.482 1.310 0 40 IDAB COc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1 16154271 QDQKVQHCRXRXQJ-UHFFFAOYSA-N 431.492 1.122 0 40 IDAB O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1S(=O)(=O)c1ccc(F)cc1 19335152 PFJHKEMSQGIAKG-HZPDHXFCSA-N 431.438 1.512 0 40 IDAB CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)[C@H]1CC(=O)N(CCCOC)C1)C2 19710925 JUMOGMWFWZZAIL-KRWDZBQOSA-N 444.580 1.097 0 40 IDAB Cc1cc(NC(=O)Cn2cc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)ccc2=O)no1 19751174 DBWLVHZXFYNCSS-IBGZPJMESA-N 435.484 1.912 0 40 IDAB O=S1(=O)C[C@H](N2CCN(Cc3ccccc3)CC2)[C@@H](S(=O)(=O)c2ccccc2)C1 19796912 SFXYMDRFADNHID-SFTDATJTSA-N 434.583 1.444 0 40 IDAB Cn1c(=O)c2c(SCCN3CCOCC3)nc(-c3ccccc3F)nc2n(C)c1=O 22627739 CGBSSUJWUDPIPC-UHFFFAOYSA-N 431.493 1.258 0 40 IDAB CNC(=O)CSc1nnc(N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)s1 23141723 IPDSYMHCFGRFKK-UHFFFAOYSA-N 445.526 1.445 0 40 IDAB Nn1c(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nnc1C(F)(F)F 24715334 PVQJXTMUFRNAIY-UHFFFAOYSA-N 444.439 1.176 0 40 IDAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@]23C(=O)Nc2ccc(F)cc23)c1 57134954 BWVOSGLKSGXESM-SIMDFCGZSA-N 442.447 1.483 0 40 IDAB CCOC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 57414425 ILAVEXMLXLMEKK-IBGZPJMESA-N 440.479 1.609 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 57414675 VZKOWTDOXLOGPA-IBGZPJMESA-N 438.488 1.088 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1ccccc1Cl 57414997 FSHDOIMEJGIBTK-SFHVURJKSA-N 442.907 1.733 0 40 IDAB C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(C[C@H](O)c2ccc3c(c2)OCO3)C1=O 58105562 DTFADJSNGLVDLA-MGPUTAFESA-N 432.454 1.319 0 40 IDAB Cc1cnc(N2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)s1 72288490 XJGWRNZNKLFMMA-UHFFFAOYSA-N 436.559 1.435 0 40 IDAB O=C1N[C@]2(COC3(CCN(C(=O)Cn4nnc5ccccc54)CC3)C2)Nc2ccccc21 72325267 FSDAFHWUCCLJJS-HSZRJFAPSA-N 432.484 1.765 0 40 IDAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)NCc1ccc2c(c1)OCO2 72326037 BLZBIOSFBMVRDB-QHCPKHFHSA-N 437.452 1.563 0 40 IDAB CC(C)NC(=O)COc1coc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 96118396 XKPBFGGWXUSSEC-UHFFFAOYSA-N 443.500 1.590 0 40 IDAB CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2cc(C(=O)C(=O)O)c3ccccc32)[C@@H]1OC(C)=O 101112333 GKASZHXFBQGIKI-MDNKFWRPSA-N 447.396 1.233 0 40 IDAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2ccco2)[C@@H]31 169683303 VEAZGPPZOQXRGA-DMGBJRHVSA-N 432.479 1.587 0 40 IDAB COc1ccc(/C=C/C(=O)O[C@@H](C(=O)O)[C@@](O)(Cc2ccc(O)cc2)C(=O)O)cc1O 222491756 WBGMKAAMRFEBHK-MILUVTRWSA-N 432.381 1.174 0 40 IDAB biogenic,in-vitro COc1cccc(N2C[C@@H](C(=O)NCc3nnc4cc(-c5nc(C)no5)ccn34)CC2=O)c1 225744496 CLQUCPWWOFYGRA-HNNXBMFYSA-N 447.455 1.766 0 40 IDAB C[C@@H]1CCCCN1CCCNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 248117052 SPRUQIZRCGKQRO-UZUQRXQVSA-N 442.564 1.326 0 40 IDAB CC(=O)N(C)[C@H]1CC2(CCN(C(=O)c3ccc(OCCCN)cc3)CC2)OC[C@]1(C)O 257230210 GBHZMTRNHTUPHH-UNMCSNQZSA-N 433.549 1.407 0 40 IDAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)cc1C(N)=O 390829316 DNKKHNPRXSYZSI-SFHVURJKSA-N 438.527 1.345 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C(N)=O)CC2)C1 408592692 OBHODLMXFDFKPD-AWEZNQCLSA-N 443.953 1.473 0 40 IDAB Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 585322718 ASQHOSIYIIJBCP-UHFFFAOYSA-N 443.856 1.939 0 40 IDAB O=C(O)CCNC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1 614751632 ZKNJQPALLFKFBF-UHFFFAOYSA-N 435.433 1.716 0 40 IDAB COc1cc2cc(CN(CCO)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2cc1OC 918949 HXKSTFGCPMVJGO-UHFFFAOYSA-N 436.461 1.868 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2cccs2)cc1 3016054 QTZXWZVWPZHFGK-KRWDZBQOSA-N 437.543 1.226 0 40 IDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 6203216 AVCYYJSEDUKFTM-LBPRGKRZSA-N 444.560 1.554 0 40 IDAB NC(=O)c1nn(CC(=O)NCc2ccccc2CN2CCCCC2)c(=O)c2ccccc12 8898879 MKEYMGZKCUVNDX-UHFFFAOYSA-N 433.512 1.798 0 40 IDAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 9727622 YCBLFBNMBAXGAZ-BEFAXECRSA-N 439.921 1.285 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4cccc(Cl)c4C)c(C)cn23)n(C)c1=O 9829418 WOWQFIQKPFJSEM-UHFFFAOYSA-N 429.864 1.972 0 40 IDAB CN(C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 9829573 YZXWWFJBVNDXAB-IBGZPJMESA-N 431.512 1.076 0 40 IDAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 12507630 ZOBFRTAFUXDKMZ-SFHVURJKSA-N 445.932 1.887 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)COc1cccc(-n2cnnn2)c1 12983353 NUPHRSYQQYSDRR-UHFFFAOYSA-N 445.277 1.867 0 40 IDAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3)CC1)CS2 13022081 AZKOXNDFQPEXTN-YJBOKZPZSA-N 443.978 1.627 0 40 IDAB CC1CCN(C(=O)[C@@H](C)OC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)CC1 14157197 JMEIOKYSEGJZCO-CRAIPNDOSA-N 435.546 1.940 0 40 IDAB O=C(c1cn(C[C@H]2CCCN(C(=O)c3cc(-c4ccco4)n[nH]3)C2)nn1)N1CCOCC1 19342433 LHLMBXLTQHTBHR-HNNXBMFYSA-N 439.476 1.286 0 40 IDAB COc1cc2c(cc1CN1C[C@@H](c3cccnc3)[C@@]3(COCCC(=O)N3)C1)OCCO2 19550630 HFYBSLDVERRHRO-MBSDFSHPSA-N 425.485 1.736 0 40 IDAB Cc1ccc(CS(=O)(=O)N(C)Cc2nc([C@@H]3CC(=O)N(C)C3)cc(N(C)C)n2)cc1 19700919 PNECDBTYQHRDAY-QGZVFWFLSA-N 431.562 1.759 0 40 IDAB COc1ccc(CCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1OC 20245142 BVAIGKXWRLPKLX-UHFFFAOYSA-N 439.509 1.815 0 40 IDAB COc1ccccc1N1C[C@H](C(=O)NCCNS(=O)(=O)c2ccc(F)cc2)CC1=O 20729252 SAGSLYOMPUKXDS-CQSZACIVSA-N 435.477 1.282 0 40 IDAB O=C(NCCc1ccccc1)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22228344 NXFRBBHROUYMHM-UHFFFAOYSA-N 429.542 1.489 0 40 IDAB O=C(c1cc2c(s1)CCCCCC2)N1CCN(S(=O)(=O)N2CCOCC2)CC1 29385919 XQYWOGUWUILUIO-UHFFFAOYSA-N 427.592 1.742 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 40051454 AWGGDGAVUFLAFV-UHFFFAOYSA-N 431.504 1.855 0 40 IDAB CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc23)CC1 72260135 AYJOIKXNKXABDT-UHFFFAOYSA-N 432.484 1.293 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1 77101277 OSDMGABUEHNUJI-UHFFFAOYSA-N 441.513 1.183 0 40 IDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NC[C@H]1CCCN(Cc2ccccc2)C1 84535940 CDHOXNAHQNAYKQ-GOSISDBHSA-N 426.542 1.754 0 40 IDAB Cc1nc(C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)nn1-c1nnc(C(F)(F)F)[nH]1 95992255 UKBOPSXCDLFAQF-JRKQCGKRSA-N 429.403 1.764 0 40 IDAB COCCN1CC2(CCN(C(=O)NC(C)C)CC2)COc2ccccc2S1(=O)=O 96145179 XEMAGFXRWOADGL-UHFFFAOYSA-N 425.551 1.916 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 222901133 YAKSPMDIIGJJIU-SFHVURJKSA-N 446.573 1.505 0 40 IDAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCCN1CCCC1=O)[C@@]1(C2)NC(=O)c2cccnc2N1 253595696 HOAPDDJDVGCSKP-OULKIGNDSA-N 425.533 1.888 0 40 IDAB CC(=O)NC1CCN(C[C@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)CC1 257264531 LUVXQJNTLOLYKN-XMMPIXPASA-N 430.593 1.056 0 40 IDAB COc1ccc(CN2CC[C@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)cc1 306123985 BCFLDSSVRSZCIE-QFIPXVFZSA-N 439.541 1.774 0 40 IDAB COc1ccccc1CNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408602868 JOCJZBIHPZXRKP-INIZCTEOSA-N 434.514 1.800 0 40 IDAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2N)cc1 2263434 WWNFUHZASXBTLK-UHFFFAOYSA-N 448.530 1.436 0 40 IDAB CCOC(=O)c1sc(NC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)nc1C 2482303 HIQZISILXDDRSB-UHFFFAOYSA-N 431.426 1.339 0 40 IDAB Cc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)no1 3337586 AMOCCFNQXCMRQX-UHFFFAOYSA-N 436.490 1.629 0 40 IDAB CCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 6501535 QBFJTXIMYIRZBY-QGZVFWFLSA-N 433.486 1.414 0 40 IDAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1)c1ccco1 9183718 NODHBNBAEJWKDT-LJQANCHMSA-N 448.357 1.512 0 40 IDAB Cc1cc(C)n(CCCNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 9255274 HBCNQOGNXKWPIL-UHFFFAOYSA-N 429.546 1.867 0 40 IDAB CCN1C(=O)C(=O)N(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1=O 9737897 CCAFVROFFNCHDT-UHFFFAOYSA-N 429.454 1.863 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnnn2C)c1 10254851 FLEHVORPWWXYAL-UHFFFAOYSA-N 446.489 1.329 0 40 IDAB COc1ccccc1C(=O)N[C@@H](C(=O)NCc1ccc(N2CCOCC2)nc1)C(C)C 11153006 RWSQGDGRJPCGPB-OAQYLSRUSA-N 426.517 1.998 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)CC1 12003490 GAUBWARTOGGEKE-UHFFFAOYSA-N 429.882 1.321 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(C)nn3C)cc2)CC1 12443977 IWMWGFWIZKVQHT-UHFFFAOYSA-N 435.506 1.444 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2 12444888 TVKHPVDJJLGUTI-UHFFFAOYSA-N 433.578 1.261 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)c3ccco3)n2Cc2ccc(F)cc2)n(C)c1=O 12471943 CLCJCROBOIHXHY-UHFFFAOYSA-N 440.435 1.056 0 40 IDAB CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1 13108967 FIHWAATUBATQRO-HXUWFJFHSA-N 431.558 1.610 0 40 IDAB CN(C(=O)Cn1c(=O)n(CCO)c(=O)c2c3c(sc21)COC(C)(C)C3)c1ccccc1 13628176 BMEYHJBGBJCAAR-UHFFFAOYSA-N 443.525 1.731 0 40 IDAB COc1ccccc1-n1c(S)nnc1CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 16913786 ZCWCEJSRFRICEP-UHFFFAOYSA-N 447.542 1.745 0 40 IDAB Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2ccncc2)CC1 19236788 RCTQQKNKSDFRAI-UHFFFAOYSA-N 425.514 1.937 0 40 IDAB CC(C)NC(=O)[C@@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]1C(=O)c1ccccc1 19449963 BTNKAACYVBBYMD-NHCUHLMSSA-N 437.544 1.769 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)[C@H]3CC=CCC3)C1)C2=O 19699583 MIRWNVRBYQFKEK-ROUUACIJSA-N 430.549 1.903 0 40 IDAB COc1ccccc1CNC(=O)c1cnc(C2CCN(CC(=O)N(C)C)CC2)nc1C 19766568 YZNSJNTVZZRSKC-UHFFFAOYSA-N 425.533 1.991 0 40 IDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(OC)c1)n2CCN1CCOCC1 22024823 FEMDCEHFJSGBRQ-UHFFFAOYSA-N 443.504 1.313 0 40 IDAB O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N1CCC(c2ccccc2)=N1 23249363 MYXZGJUVBUBUPO-UHFFFAOYSA-N 436.541 1.510 0 40 IDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1CN1CCOCC1 23956237 FCWBDNAZMDMQMJ-UHFFFAOYSA-N 428.533 1.780 0 40 IDAB Nc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 24630991 LXJZOYYDUUUZLT-UHFFFAOYSA-N 438.893 1.007 0 40 IDAB CC(=O)c1ccc(OC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 24719902 DMNZAJJIDBOZEQ-UHFFFAOYSA-N 433.486 1.333 0 40 IDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)[C@@H]3C[C@@H]3C)CC2)c(C)c1C 24756747 ANMLTDWPEIYOMM-ORAYPTAESA-N 435.590 1.834 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCc1cccnc1-n1cncn1 48251438 IPCMRBKQHQVYNM-UHFFFAOYSA-N 440.529 1.526 0 40 IDAB Cc1ccc(NC(=O)CNc2ccc(F)cc2OCCO)cc1S(=O)(=O)N(C)C 58146551 JLMPXARSALIXSY-UHFFFAOYSA-N 425.482 1.806 0 40 IDAB CCCCN(C(=O)CN(C[C@@H](O)CC)c1ccccc1)c1c(N)n(CCC)c(=O)[nH]c1=O 58175784 PBPPXSCXQUJISW-SFHVURJKSA-N 445.564 1.939 0 40 IDAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 72394896 RSBYMKVOJDFEBD-MAUKXSAKSA-N 425.485 1.885 0 40 IDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)NC1CCCCC1 100890098 CKKCPVMPTBJVLE-UHFFFAOYSA-N 436.505 1.872 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1 216363906 JQPXZGLOUJUWDQ-CVEARBPZSA-N 438.550 1.052 0 40 IDAB CCn1cc(C(=O)N(C)[C@H]2C[C@](CNC(C)=O)(c3ccccc3)CC[C@H](O)[C@@H]2O)c(C)n1 257214402 CLVVAYDILXQPPO-ZPFZUWPUSA-N 442.560 1.632 0 40 IDAB CS(=O)(=O)N1CCC[C@@H](c2nc(C(=O)NCCCn3ccnc3)c3ccccn23)C1 306124824 CAMDIRDYHHCDQH-MRXNPFEDSA-N 430.534 1.490 0 40 IDAB C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1 408616200 XDGHFGKKTHKKPQ-LSDHHAIUSA-N 429.448 1.693 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC)c1 408651289 ARMRIFJBYFUKPU-PEMVHADBSA-N 428.441 1.381 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)NC3CCN(c4nccn5c(C)nnc45)CC3)CC2=O)c1 575414959 UBZQHEBYSFDBRV-INIZCTEOSA-N 449.515 1.579 0 40 IDAB Cc1ccc2nc(CCCNC[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)[nH]c2c1 585291447 PNSHTSFUKLPKPI-IRLDBZIGSA-N 444.557 1.190 0 40 IDAB O=C(NCCCN1CCCC1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 4272302 DUCLMJZVXGHJBZ-UHFFFAOYSA-N 426.517 1.285 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 8703946 WQKTZEAVHSUQTD-GOSISDBHSA-N 447.513 1.426 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1=O 8861038 QMHXFFHQCFHHNJ-XMSQKQJNSA-N 441.509 1.674 0 40 IDAB O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1cccnc1 9422982 INAWOSZWCWWKLS-UHFFFAOYSA-N 434.493 1.054 0 40 IDAB CCCn1c(N)c(C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c(=O)n(C)c1=O 9579185 CWFHVELIVBJCEZ-HNNXBMFYSA-N 428.489 1.330 0 40 IDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9646336 DFFTWHOOYUMFIW-IBGZPJMESA-N 442.479 1.480 0 40 IDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OCCN1CCCCC1 10102940 MEJLQMLVGIVPCA-UHFFFAOYSA-N 436.516 1.849 0 40 IDAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2)cc1C(=O)N1CCOCC1 10544251 FXHFLTKEIWMZFM-UHFFFAOYSA-N 434.514 1.833 0 40 IDAB COCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 12231853 AGDWMECJTUMCBI-UHFFFAOYSA-N 426.452 1.533 0 40 IDAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)cc1 12236277 JYHZXNJHHFTUGX-UHFFFAOYSA-N 441.513 1.637 0 40 IDAB O=C(Nc1ccc(Br)cc1F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12782735 HEOWDCFYINAHCP-JTQLQIEISA-N 432.271 1.692 0 40 IDAB O=C(COC(=O)Cc1ccc(F)cc1)NCCNC(=O)COC(=O)Cc1ccc(F)cc1 12921646 LGIPVKQRNZWYCJ-UHFFFAOYSA-N 448.422 1.069 0 40 IDAB C[C@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)C1 13374606 LTXMAHFVECPGON-OKILXGFUSA-N 429.550 1.878 0 40 IDAB O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)CN21)NCc1ccccc1 15707808 WAEIGNALTQTESC-HBMCJLEFSA-N 435.528 1.846 0 40 IDAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCOCC2)cc1Cl 16692507 QBYGOAMUTNOTDR-UHFFFAOYSA-N 433.958 1.198 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1 19520413 AMLYLXMFKOWOQR-SFHVURJKSA-N 448.520 1.984 0 40 IDAB CCS(=O)(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699400 HBHNNYZOADDLAM-SFHVURJKSA-N 434.562 1.387 0 40 IDAB COc1ccc(NS(=O)(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c(OC)c1 21010281 KAVPPPGTAWPCIG-ZDUSSCGKSA-N 429.520 1.678 0 40 IDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c32)c(C)c1 22610531 DJKKNMCSYQJLJG-CQSZACIVSA-N 438.488 1.153 0 40 IDAB CS(=O)(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 23695428 XFEGWXPAZSMNRN-UHFFFAOYSA-N 444.481 1.515 0 40 IDAB CN1C(=O)c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)s3)cc2C1=O 24021101 YJVPDRMIEWIYKL-UHFFFAOYSA-N 427.891 1.887 0 40 IDAB CN(C)c1nc(N)nc(COC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)n1 25029531 HBPKOIKKRCDUKT-LBMSDSGBSA-N 428.537 1.770 0 40 IDAB COC(=O)c1cn(-c2ccccc2NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)nn1 31648129 JLLBKRGPPSUGRN-UHFFFAOYSA-N 441.469 1.982 0 40 IDAB CN(CCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)Cc1ccccc1 32759775 IQMVCQDJHOHYRS-UHFFFAOYSA-N 444.557 1.059 0 40 IDAB CCOC(=O)[C@@H]1[C@@H](c2cn(-c3nc(C)cc(C)n3)nc2C)NC(=O)N[C@]1(O)C(F)(F)F 34932034 OFEIUHZNGSZWKK-OGHNNQOOSA-N 442.398 1.372 0 40 IDAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1 57730146 PVEGVXFYYCKSCV-CYBMUJFWSA-N 445.549 1.579 0 40 IDAB Cc1ccc(N2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c(C)c1 71281611 XNMBSEZWRSMYAK-KRWDZBQOSA-N 432.546 1.118 0 40 IDAB CC(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@]2(CC(=O)N(C)C2)C1 96143452 SRDCBIQJDGUJMT-IBGZPJMESA-N 442.969 1.613 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(S(N)(=O)=O)ccc21 100876665 TZUYNLRSGVXKIW-SDXDJHTJSA-N 445.931 1.979 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1N1CCCCS1(=O)=O 101658275 ZHRKTXFQKIREBW-HRCADAONSA-N 433.530 1.892 0 40 IDAB CN1CCN(c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 113948484 URFBNSYYQCMCIY-FQEVSTJZSA-N 430.530 1.604 0 40 IDAB CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 219270949 YRQLESFCXOYCSB-KRWDZBQOSA-N 428.470 1.922 0 40 IDAB CCn1c(CCCC(=O)N2CC[C@@](C)(O)[C@H](n3ccc(O)nc3=O)C2)nc2ccccc21 257205495 AZIUEBKBRQVUAU-WZONZLPQSA-N 439.516 1.866 0 40 IDAB O=C(NCCCn1ccnc1)c1cn2c(nc1=O)[C@]1(CCN(C(=O)c3ccccc3)C1)CC2 306126585 DZQSNOXGOMBVMR-DEOSSOPVSA-N 446.511 1.448 0 40 IDAB O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)C(=O)Nc1ccc(F)cc1I 505275321 RKMJNTZLDFNPEG-VIFPVBQESA-N 445.232 1.496 0 40 IDAB O=C(CN1C(=O)COc2cc(Br)ccc21)NC1(c2ncon2)CCOCC1 544376707 XXHPMPPFBRFBEU-UHFFFAOYSA-N 437.250 1.380 0 40 IDAB Cc1c(C(=O)Nc2ncccc2C(=O)c2ccc(F)cc2)cnc2c1c(=O)n(C)c(=O)n2C 1271825759 GQVAXKYWUZBJOQ-UHFFFAOYSA-N 447.426 1.958 0 40 IDAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](N3CCOC3=O)C1)C2=O 1538385172 LPDXRAQHMMHUPM-JXORXQGFSA-N 434.537 1.957 0 40 IDAB CS(=O)(=O)CCC(=O)N1CC[C@]2(CCc3nc(-c4ccccc4)cc(=O)n3CC2)C1 1614940004 ANBBTUCIBGQHHI-QFIPXVFZSA-N 429.542 1.900 0 40 IDAB CCc1nc2ccccc2n1CCC(=O)N1CC[C@H](O)[C@@H](N2CCN(C(C)=O)CC2)CC1 2037884123 YQCGZFYCLKOOPJ-VXKWHMMOSA-N 441.576 1.505 0 40 IDAB COc1cc(C(=O)NCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc(OC)c1OC 3416520 XHYQWOKRKCUOAS-UHFFFAOYSA-N 442.424 1.282 0 40 IDAB COc1ccc(-n2c(C)c(C)n3c4c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c4nc23)c(OC)c1 8708917 DJUFUAXJZXCHGC-CYBMUJFWSA-N 439.472 1.923 0 40 IDAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9767613 JENPVNPJFWDLIJ-CVEARBPZSA-N 436.559 1.759 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n23)CC1 9829345 BRYXSNKMBRTHGY-UHFFFAOYSA-N 442.501 1.477 0 40 IDAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1cc(S(=O)(=O)N2CCCC2)ccc1=O 9884621 GZIVYBFWRIZCDB-CQSZACIVSA-N 433.486 1.604 0 40 IDAB O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(Cc2ccncc2)CC1 12543186 LMXMDRJHAJNYJM-UHFFFAOYSA-N 430.530 1.061 0 40 IDAB COc1ccc(NC(=O)COc2ccccc2C(N)=O)cc1S(=O)(=O)N1CCCCC1 12631848 WWCHOXIARLDUIR-UHFFFAOYSA-N 447.513 1.986 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1 12792263 OGVUDBHHQIWHGX-CQSZACIVSA-N 441.484 1.690 0 40 IDAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1 14170626 UBOCHYZDLOIBAS-HSZRJFAPSA-N 448.567 1.794 0 40 IDAB CCN(C(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 15279543 RNNPXLFPHHDHQM-LBPRGKRZSA-N 447.435 1.634 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ncc(Cl)n3C)CC2)cc1 15445108 GOBLWYQCUDHDFI-UHFFFAOYSA-N 426.926 1.757 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N(C)c2ccccc2)cc1 15951970 JYAKGJIFHNDUID-UHFFFAOYSA-N 433.486 1.472 0 40 IDAB CC[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1nnc2ccccc2c1=O 20547392 HRWXZOIZRWVOIU-LJQANCHMSA-N 435.484 1.816 0 40 IDAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 21474503 YXCXCORURZWYDB-UHFFFAOYSA-N 444.517 1.597 0 40 IDAB CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc2ccccc2c1 23115282 MZWKPRSXPLWSDD-QGZVFWFLSA-N 437.500 1.849 0 40 IDAB Cc1cc(C)n2ncc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)c2n1 23133942 GJQRJAIGKMVGPZ-UHFFFAOYSA-N 435.531 1.359 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCn2cnc3ccccc32)c1 24660116 QCBSCTYXQHAMDK-UHFFFAOYSA-N 445.545 1.435 0 40 IDAB CN(C)S(=O)(=O)N1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 25207547 TWHCJSLXZGAJTE-UHFFFAOYSA-N 428.967 1.957 0 40 IDAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 26844525 LYKGACGRAZBFIW-HKUYNNGSSA-N 430.549 1.980 0 40 IDAB O=C(CN1CCN(C(=O)N2CCCCC2)CC1)NCc1ccc(C(=O)N2CCCC2)cc1 28240919 JDXFDCPJXZANAP-UHFFFAOYSA-N 441.576 1.762 0 40 IDAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCCN1CCOCC1)O2 30944589 IWNQBNQCXKEPRC-IBGZPJMESA-N 439.578 1.350 0 40 IDAB O=S(=O)(NC[C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)sc1Cl 32929520 JZACLIPDKLHEPZ-LBPRGKRZSA-N 428.407 1.987 0 40 IDAB COc1ccc(C(=O)CSc2nnc(NC(=O)CN(C)S(C)(=O)=O)s2)cc1 48984897 QBLXMWXINMAESX-UHFFFAOYSA-N 430.533 1.352 0 40 IDAB O=C(C[C@H](CN1CCN(Cc2ccccn2)CC1)C(=O)O)Nc1ccc2c(c1)OCO2 72403289 VTXNKDSRSZMJDF-MRXNPFEDSA-N 426.473 1.658 0 40 IDAB CCCCCCn1cc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)c(=O)[nH]c1=O 89953416 WUTHZPLBXHUSBP-UHFFFAOYSA-N 435.506 1.661 0 40 IDAB Cn1c(N2CCN(C(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)CC2)nc2ccccc21 96115363 DHGZXCFVJMQJGL-IBGZPJMESA-N 446.511 1.753 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N2CCC3(CC2)O[C@@H](C(=O)NCC2CC2)Cn2ccnc23)cc1 96243601 NDSCRYWXNCAHIR-LJQANCHMSA-N 444.557 1.797 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1 216306645 GGXDIJBFNCFHFF-KRWDZBQOSA-N 445.545 1.469 0 40 IDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 245020789 MHCDJDCTWVHRFL-HNNXBMFYSA-N 426.473 1.700 0 40 IDAB COc1ccc(NC(C)=O)cc1CNC(=O)CN1CCC[C@](C(N)=O)(c2ccccn2)C1 257231801 GIGQIPPTRUUNFM-HSZRJFAPSA-N 439.516 1.184 0 40 IDAB O=C(CN1CCOCC1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257308392 TWOLTRWCSYBWHM-WPFOTENUSA-N 431.577 1.009 0 40 IDAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1 408661410 VSTVWUXKOJSWRQ-INIZCTEOSA-N 425.441 1.761 0 40 IDAB O=C(c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 521373967 QCRARHOPLFDWQR-UHFFFAOYSA-N 440.481 1.748 0 40 IDAB CCc1ccc2c(c1)[C@H](CCNC(=O)c1cc(C)c3c(=O)n(C)c(=O)n(C)c3n1)C(=O)N2 606369397 PACXLANGSIFIDU-AWEZNQCLSA-N 435.484 1.359 0 40 IDAB CC(=O)N1CCCN(C)CCN(C(=O)CCn2c(C)cc(C)nc2=O)Cc2ccccc21 643554144 LYTHYGBIJXFNNA-UHFFFAOYSA-N 439.560 1.967 0 40 IDAB COC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(Br)cc2)n1C 1388303 XSXRUJUQQDVQJI-UHFFFAOYSA-N 435.325 1.321 0 40 IDAB COc1cccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 3218225 JWRNGYXTCCLNIJ-UHFFFAOYSA-N 448.497 1.820 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCC1 4554038 KTTSGTUWNHQYGX-KRWDZBQOSA-N 425.526 1.934 0 40 IDAB COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCCCC1 6239162 OGUDQVBLZCNEAI-IBGZPJMESA-N 428.493 1.754 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)cc1 8708025 TWLVRZQAYVOFCX-UHFFFAOYSA-N 432.527 1.674 0 40 IDAB COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2nnc(C)s2)n1C 9328578 FGKHMMGGKZWDLR-UHFFFAOYSA-N 433.519 1.644 0 40 IDAB Cc1cccc(CSCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 9442554 CLWNTLCMSYOAIB-UHFFFAOYSA-N 436.555 1.778 0 40 IDAB COc1cccc(CNC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 9806222 OFHSXMSKEOIIAE-GOSISDBHSA-N 445.541 1.589 0 40 IDAB CCN1CCN(C(=O)c2cc(NC(=O)COC)cc3nc(-c4ccncc4)n(C)c23)CC1 11970127 HVWSEUSDZUFCQP-UHFFFAOYSA-N 436.516 1.998 0 40 IDAB O=C(COC(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1)NCc1ccco1 12555414 WPFXDCOXXXRUBV-UHFFFAOYSA-N 440.408 1.819 0 40 IDAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 13017317 LHZCYZXDKOTVQL-UHFFFAOYSA-N 431.470 1.154 0 40 IDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCN(Cc2nc3ccccc3s2)CC1 14200083 PDIHTPLWBQKLOU-UHFFFAOYSA-N 435.509 1.644 0 40 IDAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2O1 15224379 VACUECMJDFVDEJ-UHFFFAOYSA-N 434.470 1.608 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1 16689718 IPOJHGIIGWHNFZ-GJZGRUSLSA-N 429.564 1.093 0 40 IDAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 17178519 KNRRABRWGGRAQL-OAQYLSRUSA-N 425.485 1.976 0 40 IDAB CC(C)n1c(O)c([C@H]2c3ccccc3Oc3nc(O)n(C(C)C)c(=O)c32)c(=O)[nH]c1=O 18039720 GMKGOVGULOZXML-CYBMUJFWSA-N 426.429 1.952 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CCOCC1)OCO3 19372822 VMYHOWXDCKXALZ-OAQYLSRUSA-N 446.467 1.713 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CC=C[C@@H]1C(=O)NCc1ccc(OC)cc1 19555766 BUFKTGGTFJQIGG-GOSISDBHSA-N 430.482 1.727 0 40 IDAB Cn1nccc1C(=O)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702919 LBTALSNWMHENJS-INIZCTEOSA-N 441.513 1.716 0 40 IDAB CNc1nc([C@H]2CCCCN2C(=O)CCN2C(=O)CCCC2=O)nc2c1CCN(C)C2 19708679 DYBJDILVHZGQCL-QGZVFWFLSA-N 428.537 1.489 0 40 IDAB Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1 22607757 XMDDEGDXGHYODN-UHFFFAOYSA-N 447.543 1.694 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)CN1CCN(CC(=O)N3CCCCCC3)CC1)OCO2 22931137 CNXVYOROYIWVBX-UHFFFAOYSA-N 444.532 1.577 0 40 IDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCCCCC1 25702440 AFZRCJRBHVLXNJ-UHFFFAOYSA-N 436.505 1.826 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 30940085 UCZBZADVCWPMFD-IBGZPJMESA-N 447.513 1.537 0 40 IDAB CN(C(=O)CCC(=O)c1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 32780665 JMPKUYLYVXVKBM-CYBMUJFWSA-N 435.283 1.900 0 40 IDAB COc1ccc(C(=O)NCc2nnc3n2CCC3)cc1S(=O)(=O)N1CCCC[C@@H]1C 32889083 OBLNIOOKVVUIHG-AWEZNQCLSA-N 433.534 1.726 0 40 IDAB CC(=O)N1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3ccc(Br)cc23)CC1 36359174 RKWUIEAMAZRXAR-QGZVFWFLSA-N 438.278 1.778 0 40 IDAB CCOC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 71285216 CFSWVBNADQWMFS-UHFFFAOYSA-N 437.928 1.472 0 40 IDAB O=C(C[C@@H](CN1CCN(CCN2CCCC2)CC1)C(=O)O)Nc1ccc2c(c1)OCO2 72405682 WEDGTKNWWBGNHE-KRWDZBQOSA-N 432.521 1.158 0 40 IDAB Cc1ccc(NC(=O)C(=O)NCCCN(C)C(=O)CCn2cnc3ccccc3c2=O)cc1 95481884 SXEZRDFZEPRWRL-UHFFFAOYSA-N 449.511 1.698 0 40 IDAB CCc1ccc(S(=O)(=O)N2CCc3nc(N4CCOCC4)nc(N(C)C)c3CC2)cc1 96083913 WMZMXRZGCXMLSE-UHFFFAOYSA-N 445.589 1.731 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220478454 VOPZPUMLMWUXRZ-CQSZACIVSA-N 437.493 1.995 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)c2ccccc2O1 226062563 XRKVZPRAOJQENT-SFHVURJKSA-N 436.461 1.555 0 40 IDAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)[C@H]2[C@@H]3C(=O)N(C)C[C@@]34C=C[C@H]2O4)CC1 248022243 JYHIGGSWYYXICH-JKPKGCNWSA-N 446.507 1.444 0 40 IDAB CN1C(=O)N(CC(=O)N2CCC[C@H]2c2cncc(-n3ccnc3)n2)C(=O)C12CCCCC2 257200953 AFMUDYHSPUKJBN-KRWDZBQOSA-N 437.504 1.923 0 40 IDAB C[C@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1C(=O)Cc1ccc2c(c1)CCCO2 585096945 CZKZNDCTCRVFSX-KRWDZBQOSA-N 438.528 1.755 0 40 IDAB O=C(C1CC(F)C1)N1CCC2(CC1)Cc1nn(Cc3ccc(F)cc3)c(=O)c(=O)n1C2 585105973 SAJMWVXDFPGTCG-UHFFFAOYSA-N 430.455 1.505 0 40 IDAB COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(O)CC1 585262421 XLEKXRNUYYKPAO-LGKPFJOYSA-N 444.503 1.970 0 40 IDAB O=S(=O)(NC[C@]1(O)CCCc2occc21)c1ccc(N2CCCCS2(=O)=O)cc1 1565523662 SYZVOANWECADOD-LJQANCHMSA-N 440.543 1.712 0 40 IDAB C=CC(=O)N1CCC(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)(c2ccccc2)CC1 1625873362 USEHSBRDOYUMRZ-UHFFFAOYSA-N 433.574 1.615 0 40 IDAB CC[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)[C@H](CO)[C@@H]1CN1CCS(=O)(=O)CC1 1772594906 FUXUNIWTYJTBPF-DDUZABMNSA-N 432.945 1.669 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)cc1 1888897327 YDCPQWMKQGTHPU-UHFFFAOYSA-N 428.436 1.969 0 40 IDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(COc2ccc3nccn3n2)CC1 1888906718 YGDUTLJAFAYONC-MRXNPFEDSA-N 440.529 1.949 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCC[C@@H](C)C2)cc1 6081281 YUAUNVQUHALXCP-CQSZACIVSA-N 425.507 1.067 0 40 IDAB CC1CCN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)CC1 9095643 ZHHGESMXUQVUEJ-MJGOQNOKSA-N 449.573 1.755 0 40 IDAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1c(C)cc(C)[nH]c1=O 9154533 IOYPGBXSJAWJLL-MRXNPFEDSA-N 441.550 1.847 0 40 IDAB CC[C@@H](C)N(C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 9634660 BKQNPAHAWGUXCE-UKRRQHHQSA-N 431.532 1.061 0 40 IDAB O=C(NCCOc1ccc(Cl)cc1)C(=O)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 10372677 OEPSGMIPBWBUMC-CQSZACIVSA-N 429.860 1.531 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C)c3)CC2)cc1OC 10755889 PBDJVBMGQFHNPZ-UHFFFAOYSA-N 440.543 1.707 0 40 IDAB NC(=O)C1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 11613365 OBIDJKAZWPMMQT-HNNXBMFYSA-N 438.513 1.343 0 40 IDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@H](C)N3C(=O)NC(C)(C)C3=O)C2)C1 12087182 UABSSMCARBRBAX-WNSKOXEYSA-N 442.516 1.508 0 40 IDAB CS(=O)(=O)NCCOc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1 12371834 QMZVUFPFQGWXSA-UHFFFAOYSA-N 448.950 1.625 0 40 IDAB NS(=O)(=O)c1cc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)ccc1Cl 12790460 VFZORFMNWKWZAZ-KRWDZBQOSA-N 438.889 1.744 0 40 IDAB Cc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(Br)c1 12914431 VIBJLDFISDQSEN-LLVKDONJSA-N 428.308 1.862 0 40 IDAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@@H](O)C[C@@H]2C(=O)O)c(C)cc1Cl 14128741 SKRRVSPYGLAHOP-NWANDNLSSA-N 430.910 1.156 0 40 IDAB Cc1cccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 14226832 NXZMKQFLQJPABS-UHFFFAOYSA-N 429.542 1.875 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)c2cccc(I)c2)c(=O)[nH]c1=O 14227155 RBTCRKRSTFLZIP-UHFFFAOYSA-N 442.257 1.800 0 40 IDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 19173628 KJELUVHDORWDIA-UHFFFAOYSA-N 434.470 1.739 0 40 IDAB Cc1cc(S(=O)(=O)N(C)Cc2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)ccc1F 19700926 AASOAMMZJYVCRT-AWEZNQCLSA-N 435.525 1.757 0 40 IDAB CN1CCN(C(=O)c2ccc(C3CCN(C(=O)CN4CCCCCC4=O)CC3)nc2)CC1 19708332 OCCDXFKLCNUHJJ-UHFFFAOYSA-N 441.576 1.578 0 40 IDAB COCCNC(=O)c1cc([C@@H]2CN(CC(=O)N3CCCCC3)CCO2)nc2ccccc12 19762226 SBYKYCARKFSAFO-QFIPXVFZSA-N 440.544 1.997 0 40 IDAB COc1cc2ncn(CC(=O)N[C@H](C(=O)NCc3ccco3)C(C)C)c(=O)c2cc1OC 20761305 DGPWRPFHOPQCTG-FQEVSTJZSA-N 442.472 1.464 0 40 IDAB biogenic COc1ccc(N(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)cc1 22332531 DJZHACJWAQXPAH-UHFFFAOYSA-N 438.502 1.803 0 40 IDAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(S(=O)(=O)c2cccs2)CC1 23029556 OCFRLCJNSGSLRJ-NSHDSACASA-N 428.561 1.242 0 40 IDAB COc1ccc(OC)c(NC(=O)C(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)c1 23127864 UBMGFDDTXVHOMG-IBGZPJMESA-N 427.457 1.359 0 40 IDAB CC[C@H](C)N(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 34896573 NWJBEJSMUSMDSQ-ZSDSOXJFSA-N 449.529 1.030 0 40 IDAB COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3C3CCOCC3)N2C)cc1 35442414 DEHYVHWLVUOPJN-WPYKKVEZSA-N 444.576 1.144 0 40 IDAB biogenic,in-vitro CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C)C1 71889496 OOCMOZYJQZNEAV-GJZGRUSLSA-N 426.521 1.913 0 40 IDAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1OC 72284018 LXNDQDUQRUBCLL-CQSZACIVSA-N 433.486 1.021 0 40 IDAB COC(=O)c1nc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)sc1C 72325399 QWJJRAWGCIXVSC-AWEZNQCLSA-N 428.470 1.828 0 40 IDAB biogenic O=C(Cn1nnn(-c2ccc(NC(=O)Cc3cccs3)cc2)c1=O)NCc1ccco1 77100278 YZBYSOWENIOTQC-UHFFFAOYSA-N 438.469 1.581 0 40 IDAB O=C(c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1 96006794 LJSKGXPNWQBMNM-UHFFFAOYSA-N 429.454 1.844 0 40 IDAB O=C(N1CCOCC1)[C@]12CCCN(Cc3nccs3)C[C@H]1CN(c1ncccn1)C2 96056166 BAYIGNPPIYHRIQ-UWJYYQICSA-N 428.562 1.511 0 40 IDAB COCCN1CC2(CCN(C(=O)c3cn[nH]c3)CC2)COc2ccccc2S1(=O)=O 96263529 VITCDSMETNRQMS-UHFFFAOYSA-N 434.518 1.362 0 40 IDAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2OC)C1 138681687 VHKQTVXEMUSUCG-CQSZACIVSA-N 441.440 1.379 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222611509 BKZARYFEIRDVEH-ZDUSSCGKSA-N 433.461 1.134 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCCO1 244983750 IPOJHGIIGWHNFZ-HUUCEWRRSA-N 429.564 1.093 0 40 IDAB CN1CCN(c2ccc(NC(=O)CN3CCC[C@H]3c3n[nH]cc3S(C)(=O)=O)cc2)CC1 257282125 OSKDQHCUQSIONI-SFHVURJKSA-N 446.577 1.341 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)c1 575421661 KTACUIQNTJGFEH-IRXDYDNUSA-N 441.527 1.053 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCc3[nH]c4ccccc4c3C2)C1 585291841 UGHCNCVMVBJNBE-YADHBBJMSA-N 427.526 1.323 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5ccccc5)C[C@H]4C3)ncnc21 1888941905 SUUCMQZQKQVWTL-HZPDHXFCSA-N 428.518 1.230 0 40 IDAB CCCCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2cc(S(N)(=O)=O)ccc21 6147606 TWMVSVFWIQCJKE-CQSZACIVSA-N 427.552 1.795 0 40 IDAB COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCCCCC1 6239211 ISXQUFNLFFDDSL-IBGZPJMESA-N 426.477 1.855 0 40 IDAB O=C(CSc1nccc(=O)[nH]1)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 6446590 GURQSTJRUDDJNJ-UHFFFAOYSA-N 430.511 1.979 0 40 IDAB CC1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@@]3(C)CCS(=O)(=O)C3)c2)CC1 8601244 POOCUQZGKUTBDX-IBGZPJMESA-N 428.576 1.756 0 40 IDAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 8739760 BZQMLBXRCDTONP-CQSZACIVSA-N 431.924 1.610 0 40 IDAB C[C@@H](CNC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 8790706 QTKREROYBHNMOS-KIDGSWFRSA-N 434.533 1.851 0 40 IDAB CN1C(=O)c2cccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2C1=O 9066340 DAPXZDMQQYXPEK-INIZCTEOSA-N 431.445 1.843 0 40 IDAB COC(=O)CCn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)cn23)n(C)c1=O 9149674 OZCKZJUPUJWCGN-UHFFFAOYSA-N 429.864 1.972 0 40 IDAB NC(=O)c1nn(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(=O)c2ccccc12 9594401 NPLJHFMKMSTQET-QGZVFWFLSA-N 434.452 1.630 0 40 IDAB CCOC(=O)CNC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21 9603314 WYFFGQGBPNQABQ-UHFFFAOYSA-N 439.399 1.717 0 40 IDAB O=C1CCCN1c1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 9645941 LDELONGIPLCKHV-SJORKVTESA-N 442.559 1.170 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 9660909 VOOXEESURILFQF-UHFFFAOYSA-N 444.488 1.730 0 40 IDAB O=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 9721236 CWCMEOPOTUBAKH-UHFFFAOYSA-N 440.319 1.144 0 40 IDAB COc1ccc(-c2n[nH]c(SCCCn3c(=O)c4c(ncn4C)n(C)c3=O)n2)cc1 12685527 WJJOIYCDYUKUCP-UHFFFAOYSA-N 427.490 1.410 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)cc1 13063549 WZHTWTLEZHFJTL-DYESRHJHSA-N 434.562 1.760 0 40 IDAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 13097317 SVYSTOONSVSSQA-GOSISDBHSA-N 439.484 1.726 0 40 IDAB O=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc2[nH]c(=O)[nH]c2c1 13147893 YOOKTLXFMUIYFP-UHFFFAOYSA-N 426.473 1.671 0 40 IDAB CCOc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 13670299 XXDINXTYNSVKPL-UHFFFAOYSA-N 449.504 1.720 0 40 IDAB O=c1[nH]c(N2CCCCC2)nc2c1CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2 19346318 UGSKYWYDLXQLNM-UHFFFAOYSA-N 432.502 1.278 0 40 IDAB Cc1nc([C@H]2CCCCN2S(=O)(=O)N2CCOCC2)nc2c1CCC(=O)N2CC1CC1 19698483 BJULGUUCJPELKQ-GOSISDBHSA-N 449.577 1.578 0 40 IDAB CCc1noc(CCC(=O)N2CCC(c3ccc(C(=O)N4CCN(C)CC4)cn3)CC2)n1 19708364 JUYAKIAJAZXSRH-UHFFFAOYSA-N 440.548 1.753 0 40 IDAB Cc1cccc2cc(CN(CCCO)C(=S)NCCCN3CCOCC3)c(=O)[nH]c12 19822695 OIGXTRZBPBWZSM-UHFFFAOYSA-N 432.590 1.618 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 23702555 ZEYZXBSLNHDXMQ-BFUOFWGJSA-N 439.538 1.056 0 40 IDAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc3c(c1)C(=O)N(C)C3=O)C2=O 24020871 IPOLQQKTYIWBGT-YTEVENLXSA-N 426.473 1.988 0 40 IDAB CCOC(=O)c1[nH]c(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)c(C(=O)OCC)c1C 24243066 POBOFUPRRVBIGZ-HNNXBMFYSA-N 434.537 1.461 0 40 IDAB CCOC(=O)C(NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C(=O)OCC 40069733 WGZITQPGYKMNOP-LLVKDONJSA-N 441.278 1.413 0 40 IDAB O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc2c(c1)OCO2 56997920 UFVWUPSQYKZROA-UHFFFAOYSA-N 430.892 1.946 0 40 IDAB Cc1ccc(NS(=O)(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c(Br)c1 58173083 KVLQIULPGVTADU-UHFFFAOYSA-N 439.291 1.504 0 40 IDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 60241224 HKWKDHUATKSJHA-CQSZACIVSA-N 429.395 1.990 0 40 IDAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)N2CCCc3ccccc32)c1=O 67226388 QDQUEUMUYWZCMS-UHFFFAOYSA-N 425.514 1.736 0 40 IDAB Cc1cccc(N2CCN(CCNC(=O)NCc3cccc(NS(C)(=O)=O)c3)CC2)c1 89672760 MXOXEGGMWBJJEH-UHFFFAOYSA-N 445.589 1.988 0 40 IDAB C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC(O)(CN2CCOCC2)CC1 95459753 XDXOJUVIELCBEH-HNNXBMFYSA-N 426.355 1.935 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)c1 225928667 ZWQXMUKDABSHNB-UHFFFAOYSA-N 439.559 1.779 0 40 IDAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257232727 GMCRTRJSUIVVBV-LJQANCHMSA-N 431.496 1.995 0 40 IDAB COc1cc(Br)cc(C(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)c1O 257302446 SCZDPVMIYDDGQZ-IIDMSEBBSA-N 443.338 1.897 0 40 IDAB CCCCCOC(=O)Nc1nc(=O)n([C@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1F 584578784 WMJHGZFQHPCWQZ-JPRDPHSJSA-N 443.428 1.902 0 40 IDAB CN1CCc2c(CNC(=O)COc3ccc4c(c3)OCO4)c3c(c(O)c2C1=O)OCO3 604405930 XETHPSRULPUZBZ-UHFFFAOYSA-N 428.397 1.173 0 40 IDAB biogenic COc1ccc(CNC(=O)CCC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1OC 2105703 CANIEVJJEIJTGQ-QZTJIDSGSA-N 439.512 1.908 0 40 IDAB biogenic CN1CCc2c(n(C[C@H](O)CN3C(=O)c4ccccc4S3(=O)=O)c3ccccc23)C1=O 2201107 JGQUYGWGZVKDTB-AWEZNQCLSA-N 439.493 1.475 0 40 IDAB COC(=O)c1cc(NCc2ccc(OCC(N)=O)c(OC)c2)ccc1N1CCOCC1 6239351 BREBAGRGRUTCDV-UHFFFAOYSA-N 429.473 1.795 0 40 IDAB CCCN(C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 9579969 OWGZKGAGMQPIRN-IERDGZPVSA-N 433.530 1.196 0 40 IDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)N(C)Cc1ccccc1N1CCOCC1 9669662 NUQUDFUXAWDTRF-UHFFFAOYSA-N 446.573 1.914 0 40 IDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 10219930 DXJRPTXNYPKEJU-CYBMUJFWSA-N 438.893 1.188 0 40 IDAB CCCCCn1c(=O)c2c(nc3n(-c4ccc(S(N)(=O)=O)cc4)c(C)cn23)n(C)c1=O 10233450 IZNCBFGEFMIWLA-UHFFFAOYSA-N 444.517 1.285 0 40 IDAB O=C(NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21)c1cccs1 11666027 LUMVELFRYUVJJZ-UHFFFAOYSA-N 435.517 1.434 0 40 IDAB COc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(=O)[nH]c2c1 11726459 RNCCQUQQKRWKEP-UHFFFAOYSA-N 429.498 1.760 0 40 IDAB COc1ccc([C@@H]2C[C@H](C(=O)Nc3cccc([C@@H](C)O)c3)N(C)S(=O)(=O)N2)cc1OC 12132766 ROOBPDGNBBVIJU-JEBQAFNWSA-N 449.529 1.975 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 12194395 BACLBUCJUGOFKK-UHFFFAOYSA-N 437.543 1.237 0 40 IDAB CCn1nnc2c(N3CCN(C(=O)NCc4ccc(OC)c(OC)c4)CC3)ncnc21 13534977 IFGIYYSXIUMFTN-UHFFFAOYSA-N 426.481 1.290 0 40 IDAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 13692239 GEUADDACMQBGLF-UYSNPLJNSA-N 444.575 1.083 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 14308974 IKLMCBNLBSNJNQ-UHFFFAOYSA-N 443.591 1.149 0 40 IDAB O=C(Cn1nnc2ccccc2c1=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 14481137 QGKSUHSOAZDDIM-UHFFFAOYSA-N 437.485 1.247 0 40 IDAB C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCN(Cc2ccccc2)CC1 14675872 LHFLFMOKNBVBDT-SFHVURJKSA-N 449.507 1.949 0 40 IDAB O=C1O[C@@H](C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)Cc2ccccc21 15356473 YZSZLGSAJCLKRJ-QGZVFWFLSA-N 436.436 1.579 0 40 IDAB Cn1c(=O)c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)ccc21 15733661 MPGYTGZXRALLFP-UHFFFAOYSA-N 428.470 1.165 0 40 IDAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3)[C@H]2SC1 15947218 CELMTIZIKITZRZ-MLGOLLRUSA-N 444.387 1.621 0 40 IDAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 16050651 TUQJBVLRQIMSRW-UHFFFAOYSA-N 427.461 1.047 0 40 IDAB COc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)NC1CC1 17594559 QNCBLZGFWZVHTP-UHFFFAOYSA-N 444.465 1.589 0 40 IDAB CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(S(=O)(=O)c2cn(C)cn2)CCO1 19702974 QKVJVVHPNFDJEO-CQSZACIVSA-N 449.558 1.930 0 40 IDAB COCCNC(=O)c1cc([C@@H]2CN(C(=O)CN3CCCC3)CCO2)nc2ccccc12 19759361 AXPOEMWXFPYJDC-NRFANRHFSA-N 426.517 1.607 0 40 IDAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCN2S(=O)(=O)N(C)C)cc1 19767148 IWZVYXDOLFGTEL-SFHVURJKSA-N 433.534 1.667 0 40 IDAB COc1ccc([C@@H](N2CCOCC2)P(=O)(N2CCOCC2)N2CCOCC2)cc1 20030252 PXAMXYGYXPEGOM-FQEVSTJZSA-N 425.466 1.884 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)n1 20733837 ZAPWYLSYIDWHBR-UHFFFAOYSA-N 432.458 1.615 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3cccc(C)c3)CC2)cc1 22733117 XYVSTHGZWRCFBU-UHFFFAOYSA-N 431.558 1.805 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134251 LKMBMMUAXBYOKJ-QGZVFWFLSA-N 449.490 1.499 0 40 IDAB O=C(CSc1nnnn1-c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25329202 GMDKXZFVFOINQI-UHFFFAOYSA-N 438.513 1.828 0 40 IDAB C[C@@H](C(=O)NCc1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 35380491 HNFRQRMUKQWAFW-INIZCTEOSA-N 449.529 1.452 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)NCCOc3cc(N4CCOCC4)ncn3)CC2=O)cc1C 35598375 VSXCPYYFKYDNCZ-GOSISDBHSA-N 439.516 1.478 0 40 IDAB COc1cccc(C[C@H](C(=O)NCc2cccnc2N2CCOCC2)n2nnnc2C)c1 48366961 AMEIQYYYHQTSQM-HXUWFJFHSA-N 437.504 1.322 0 40 IDAB O=C(O)c1csc(S(=O)(=O)Nc2cccc(-n3c(O)c(O)n(C4CC4)c3=O)c2)c1 60738888 YUWYPYFXKRIDCU-UHFFFAOYSA-N 437.455 1.946 0 40 IDAB CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3OCC)NC(=O)N2)CC1 67287905 BACHNVMGBUOAAW-LJQANCHMSA-N 446.504 1.640 0 40 IDAB Cc1nn(C)cc1C(=O)N1CCC(c2nc(N3CCCC3)ncc2S(C)(=O)=O)CC1 72335901 MBEVZBXSOUIPDG-UHFFFAOYSA-N 432.550 1.542 0 40 IDAB CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1 95436364 WJNBBVVJZNFXBU-IRXDYDNUSA-N 433.553 1.866 0 40 IDAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(c2nc(NC[C@@H]3CCCO3)nc(N3CCCC3)n2)C1 100149867 DTMVUOWUEBKXAB-KURKYZTESA-N 437.548 1.848 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 223646473 CHSZRAPWRREODF-UHFFFAOYSA-N 439.559 1.741 0 40 IDAB CC(=O)Nc1ccc(NC(=O)CN2CCO[C@@](C)(C(=O)N3CCOCC3)C2)c(Cl)c1 257273935 NIVOBBJACZPJKH-HXUWFJFHSA-N 438.912 1.187 0 40 IDAB Cc1c(C(=O)N2CCC3(CC2)C[C@H](NS(C)(=O)=O)[C@@](C)(O)CO3)oc2ccccc12 257329296 XJFYZUAYWDHRHU-PXNSSMCTSA-N 436.530 1.805 0 40 IDAB COc1ccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)c(OC)c1 408618587 KHVQPZBAKFEUHY-UHFFFAOYSA-N 448.501 1.299 0 40 IDAB COc1cccc(N2C[C@H](C(=O)N(C)C3CN(c4ccc5nnc(C)n5n4)C3)CC2=O)c1 1565523828 XVKMUSSQMMUJTM-OAHLLOKOSA-N 435.488 1.141 0 40 IDAB CC(=O)N1CCC(N[C@@H]2C[C@H](C(=O)N3CCCC3)[C@@H](O)[C@H]2c2cnc(C(C)C)[nH]2)CC1 2332241861 VPWRRTHYHZQFAI-UYWIDEMCSA-N 431.581 1.589 0 40 IDAB CCCCN(C(=O)c1nn(C)c(=O)c2ccccc12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3565651 OCMJBONEYXDVLD-UHFFFAOYSA-N 440.504 1.469 0 40 IDAB CCc1ccc(O[C@@H]2O[C@@H](C(=O)OC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 5049632 DRXDDSAONXSIMP-HMPZBHLVSA-N 438.429 1.321 0 40 IDAB CN(Cc1ccccc1)Cc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1 8299258 HMSVBHSYNVRDRR-MZYLBHOOSA-N 438.576 1.479 0 40 IDAB biogenic,in-vitro CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 8952235 UKZVQBPULFPVKH-MDZRGWNJSA-N 434.606 1.688 0 40 IDAB biogenic CCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 9426255 HEQTYXGTZHVIOU-MSQSPTIYSA-N 429.425 1.741 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 9430026 XJDPSTHQIMPKBG-MLJKTZRHSA-N 426.491 1.898 0 40 IDAB CN(C(=O)CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@H]1CCS(=O)(=O)C1 9430034 QWVIVCGBRSHAPD-OJNRTJSBSA-N 426.491 1.898 0 40 IDAB O=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 9464056 HDICCTWSGMHWMT-UHFFFAOYSA-N 442.497 1.910 0 40 IDAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 9661701 PQEAXSUFWPAEJA-LLVKDONJSA-N 430.939 1.871 0 40 IDAB O=C1c2ccccc2C(=O)N1CCC(=O)N(CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 10212914 KLUZRGIEQSSQPB-SFHVURJKSA-N 440.521 1.931 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 10454213 BNANIKTYOLSHKW-UHFFFAOYSA-N 432.414 1.188 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 12311243 SUHQZFTZWPFLTJ-UHFFFAOYSA-N 445.925 1.275 0 40 IDAB COc1ccc([C@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c2nccn2C)cc1 12506904 FIKZQDHKTVXKMS-SFHVURJKSA-N 427.486 1.132 0 40 IDAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 12676805 JJKOITFZVJJZAH-BXKJMJEDSA-N 445.585 1.270 0 40 IDAB COc1ccc(C)cc1N(CC(=O)NC1CCCC1)C(=O)c1snc(C(N)=O)c1N 12709651 AQTYFPJWSCBCDX-UHFFFAOYSA-N 431.518 1.847 0 40 IDAB CCCCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O 12880590 CRQBEVVAPBSRIF-HUUCEWRRSA-N 447.536 1.227 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)COc3ccccc3)[nH]c(=O)c2C1 19592885 BJXSTXBWWZNXDZ-IBGZPJMESA-N 440.500 1.434 0 40 IDAB COc1ccc(C(=O)N2CCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1N1CCOCC1 19756011 AQEMGYDUAKKIPG-QGZVFWFLSA-N 425.489 1.706 0 40 IDAB COCCCNC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 22228232 VXGDNEZYAXZHRF-UHFFFAOYSA-N 425.551 1.109 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)CNC(=O)[C@H]3C[C@@H]3C)c2)cc1 23190416 VOPXWRMELMSDCT-LRDDRELGSA-N 433.486 1.912 0 40 IDAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc3c(cc2Cl)OCCO3)c1=O 32865659 KIBYNAKVSXYQPO-UHFFFAOYSA-N 449.895 1.183 0 40 IDAB CN(CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2c(=O)[nH]1 35393020 FXZOWTQJBZINKW-QGZVFWFLSA-N 440.525 1.575 0 40 IDAB O=C(NCc1cccnc1OC1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 40089441 JNTJASGDAVJKPW-UHFFFAOYSA-N 434.518 1.682 0 40 IDAB CN(CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccncc1 95997740 VUWXXIXPXZDHFM-UHFFFAOYSA-N 446.529 1.212 0 40 IDAB CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1F 96034868 WMJHGZFQHPCWQZ-KHSQJDLVSA-N 443.428 1.902 0 40 IDAB CC(C)S(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)C1 100234653 VMRGGVQGAQLKNB-OAHLLOKOSA-N 447.561 1.647 0 40 IDAB CS(=O)(=O)N1CCC[C@@]12CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)C[C@@H]2O 257256793 KMYQUAJOCQJZHO-RDJZCZTQSA-N 435.468 1.505 0 40 IDAB NS(=O)(=O)c1cccc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c(O)nc(O)nc2O3)c1 257272187 NBJHCAGJCQVSNE-YJYMSZOUSA-N 434.474 1.144 0 40 IDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 575426766 ZMUZSQFBVXAXTG-CHWSQXEVSA-N 437.923 1.395 0 40 IDAB O=C1CCCN1c1cccc(OCC(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)c1 680504037 SBQZGCUJLUKODU-IBGZPJMESA-N 443.525 1.803 0 40 IDAB NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2[C@H]3Cc4c(Br)cccc4[C@H]32)cc1 1213318230 BMOYHTIMAUPDPS-NUEKZKHPSA-N 443.344 1.713 0 40 IDAB CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NS(=O)(=O)c3cccc(F)c3)c(=O)n1C2 3841479 QHSDAXIOKUVWDC-QWHCGFSZSA-N 441.506 1.167 0 40 IDAB biogenic,in-vitro CCCCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nc2cc(S(N)(=O)=O)ccc21 6147604 TWMVSVFWIQCJKE-AWEZNQCLSA-N 427.552 1.795 0 40 IDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 8879044 WUMNREVMXPFOPJ-QGZVFWFLSA-N 428.474 1.372 0 40 IDAB COC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4)c(C)c(C)n23)n(C)c1=O 9242858 ZRCSERNINVCKER-UHFFFAOYSA-N 425.445 1.327 0 40 IDAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 9463954 SLWOLCOSOUAHBU-SFHVURJKSA-N 445.541 1.881 0 40 IDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 9670858 VAXZOIMVLIJRQR-UHFFFAOYSA-N 434.547 1.268 0 40 IDAB CC(=O)Nc1cccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1 11858302 JDWIZFNBPKCCTM-UHFFFAOYSA-N 437.499 1.821 0 40 IDAB Cc1c(CCC(=O)NCC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)oc2c(C)c(O)ccc12 11865402 JIYZDAQMUUEUEA-MRXNPFEDSA-N 432.473 1.780 0 40 IDAB biogenic CCOc1ccc(N2C[C@@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 12180197 MOXXNSSUMDSPAA-INIZCTEOSA-N 446.529 1.380 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c(=O)[nH]c1=O 12896823 AGIFEZZZUXAOSV-RNODOKPDSA-N 437.566 1.362 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 13116257 KEQAZUYHIWFLOF-QGZVFWFLSA-N 433.505 1.396 0 40 IDAB C[C@H]1c2cccn2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 13164493 ICVDDSWROULFTF-SFHVURJKSA-N 442.585 1.887 0 40 IDAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14094500 WBJZPLNTNJFMQE-UHFFFAOYSA-N 449.460 1.783 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)N3CCN(C)CC3)c12 16992984 YTBVKVFHGQHEHS-OAHLLOKOSA-N 443.529 1.747 0 40 IDAB Nc1nc2ccc(COc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 17106187 MNMMLPGKBNWPGY-MRXNPFEDSA-N 440.412 1.132 0 40 IDAB COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2cccnc2)CC1 19290312 XVYXAHLGDKTMQT-UHFFFAOYSA-N 441.513 1.637 0 40 IDAB C[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 19575414 WTIYMRPHCOEMGX-OCCSQVGLSA-N 437.493 1.278 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccc(F)cc2)cc1 19943714 XKKNRMWJQDWYSA-UHFFFAOYSA-N 435.521 1.778 0 40 IDAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCCN2CCN(C)CC2)CC1 20107182 QPIIJHYBIOXQJF-UHFFFAOYSA-N 436.622 1.291 0 40 IDAB CCn1c(=O)n(CC(=O)c2ccc(OC)c(OC)c2)c(=O)c2c3c(cnc21)C(=O)CCC3 22610556 JKCQXWXGEUCQLU-UHFFFAOYSA-N 437.452 1.997 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 22851219 QVZRXTUJHXAAPG-INIZCTEOSA-N 438.477 1.915 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 22976537 HERCLQULQUUBBK-LJQANCHMSA-N 434.514 1.961 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC)C(=O)OC 36594800 RGJMHCAKKBGZKJ-DNVCBOLYSA-N 430.461 1.570 0 40 IDAB biogenic COc1cccc(NC(=O)CN(C)C(=O)COC(=O)c2cnc3c(c2)c(C)nn3C)c1 40040300 JOHGANQNLYJWPK-UHFFFAOYSA-N 425.445 1.539 0 40 IDAB O=C(NCc1ccncc1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945246 VUICCJGSADOGDO-OAQYLSRUSA-N 433.512 1.971 0 40 IDAB CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3cccc(OC)c3)NC(=O)N2)C1 67287805 KSXXJFYABFYKSQ-KXBFYZLASA-N 431.489 1.751 0 40 IDAB COc1ccccc1Nc1nc(N)nc(CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1 72308905 CNUYEITUIKYBOR-HXUWFJFHSA-N 426.481 1.016 0 40 IDAB Cc1c(N2CCN(CC(F)F)CC2)nc(N(C)C)nc1N1CCN(CC(F)F)CC1 95443287 ZAUPYNNBYIEBEZ-UHFFFAOYSA-N 433.498 1.625 0 40 IDAB CC1(C)OC(=O)C(=C2[C@@H]3[C@H]4C(=C5C(=O)OC(C)(C)OC5=O)[C@H]5[C@@H]2[C@H]2[C@@H]5[C@@H]4C[C@@H]32)C(=O)O1 100932769 NGQONMCYYIFSHF-FMIYEOGHSA-N 426.421 1.640 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@@]34C=C[C@H]2O4)cc1OC 101351952 WNDGURXLUQSKEF-WOSKWAQLSA-N 439.468 1.646 0 40 IDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 106749149 FKUOHCIYDZRNFM-MBZVMHRFSA-N 448.445 1.993 0 40 IDAB C[C@H](C(=O)NCCCN1CCOCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220436348 DECGEOYADRNSIK-CYBMUJFWSA-N 438.377 1.986 0 40 IDAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C(=O)N1Cc1cccc(Cl)c1 225389080 MZZQOPIAAWKUOO-MOPGFXCFSA-N 426.904 1.294 0 40 IDAB biogenic,in-vitro COC(=O)[C@@H]1CN(C(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)c2ccccc2O1 225943556 XRSAAPIKTJDQKO-YJBOKZPZSA-N 436.461 1.773 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)CCc3nc4cc(C)c(C)cc4[nH]3)CC[C@@H]2O)CC1 257241725 HZJFDRCINRANMA-VXKWHMMOSA-N 441.576 1.628 0 40 IDAB CC(=O)NCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)C3)C1 257312933 UQGQSELJNORXCY-LJQANCHMSA-N 435.528 1.759 0 40 IDAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1Br 408548193 DUUZXFZLTDFMOI-KPKJPENVSA-N 441.234 1.457 0 40 IDAB NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 408591042 IOHNMOFVJRNQFE-IBGZPJMESA-N 449.960 1.954 0 40 IDAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCCN1CCOCC1 408595404 RSQCXWDFWIUXRT-UHFFFAOYSA-N 445.969 1.388 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 409265223 TUMVMCDMSZQGJA-UHFFFAOYSA-N 438.433 1.804 0 40 IDAB O=C1[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccc(I)cc1 409275693 LJKAEFOVLAMOEG-ZOPJHEKZSA-N 439.205 1.477 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3c4ccccc4CC[C@@H]3C(=O)N3CCN(C)CC3)nc2n1 515294011 PNCAPPFVCYBLGW-LJQANCHMSA-N 433.516 1.477 0 40 IDAB CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1 525161280 XLKYZWRXJBXSFW-UHFFFAOYSA-N 443.569 1.549 0 40 IDAB Cc1nc(-c2ccc(S(=O)(=O)NC3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)co1 575617775 WSKJSAFJZDCDMC-QGZVFWFLSA-N 439.559 1.580 0 40 IDAB COc1nc(=NCCn2cnc3ccccc32)[nH]c(=NCCn2cnc3ccccc32)[nH]1 584562045 OEHQEUVXYAQAFF-UHFFFAOYSA-N 429.488 1.648 0 40 IDAB CCCn1ccc(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)n1 643564206 XLYQNBWCNVVIDG-KRWDZBQOSA-N 433.553 1.337 0 40 IDAB CCOC(=O)c1sc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(C(=O)OC)c1C 2803887 VYMGEWJAJWFRLE-UHFFFAOYSA-N 432.520 1.630 0 40 IDAB O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccn2)CC1 2975388 WSASHBMYUZKXLL-UHFFFAOYSA-N 439.497 1.922 0 40 IDAB COCCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCOC)cc2)cc1 3017843 OXWJAGUCBGEUKV-UHFFFAOYSA-N 428.532 1.203 0 40 IDAB CCOC(=O)[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 6577452 NVANLPJIGKGRNG-JTQLQIEISA-N 435.893 1.932 0 40 IDAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)c(OC)c1 9001070 PSYLDDVOIWDWCU-UHFFFAOYSA-N 447.451 1.657 0 40 IDAB CCCn1c2c(c(=O)[nH]c1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 9222798 KCQRVXMMORSCHQ-CQSZACIVSA-N 429.429 1.341 0 40 IDAB CCn1cc(C(=O)N[C@H](C(=O)NCCCOC)C(C)C)c(=O)c2cc3c(cc21)OCO3 9410448 XBMMBMOOBWUAAB-IBGZPJMESA-N 431.489 1.657 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3ccc(F)cc3)C2)cc1 9483603 YLZOXWXFESIFES-OAHLLOKOSA-N 449.504 1.990 0 40 IDAB Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)o1 9491784 CXAQMPBEBPLLEX-UHFFFAOYSA-N 435.502 1.698 0 40 IDAB COc1ccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cn1 9779766 DLOMSZGKFJLVKV-UHFFFAOYSA-N 446.485 1.811 0 40 IDAB Cc1c(C)n2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1CCOCCO 10233646 XDIVUHFASATSHZ-UHFFFAOYSA-N 439.516 1.408 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 12322968 NAZCUKXYMOUZAS-KRWDZBQOSA-N 444.507 1.141 0 40 IDAB O=S(=O)(Nc1ccccc1-n1cncn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12520860 JYCDVCCNPKROTN-UHFFFAOYSA-N 449.514 1.089 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 12633051 CBFCFPUHLDEFEK-NRFANRHFSA-N 446.504 1.557 0 40 IDAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12782626 FSXMHAZCTAGXOK-AWEZNQCLSA-N 436.559 1.322 0 40 IDAB C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 12985016 IKQGRYYSSGGSAT-ZDUSSCGKSA-N 444.473 1.097 0 40 IDAB COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1OC 13856696 ZRRPZXCYXBTWNV-INIZCTEOSA-N 426.425 1.623 0 40 IDAB CCCCN(C(=O)Cc1ccc2c(c1)OCCO2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14719987 GZQNTNMVGGXJGL-UHFFFAOYSA-N 430.505 1.922 0 40 IDAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(OC)c(OC)c1)c(=O)n2C 15880394 ZAPMWALBGSHJDF-UHFFFAOYSA-N 428.445 1.458 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 17297072 GWLULZQRIVNSAK-LBPRGKRZSA-N 446.485 1.947 0 40 IDAB C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)NCCn2ccnc2)[C@H]1C(=O)NCc1ccncc1 19575388 NLTODKOYJSOLPN-NMMYMHLASA-N 446.511 1.428 0 40 IDAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)CCO1 19702910 XEVKPQPBXRIESZ-INIZCTEOSA-N 430.530 1.814 0 40 IDAB COc1cc2nc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)[nH]c(=O)c2cc1OC 21848757 WDQFNTXFTBJHBS-UHFFFAOYSA-N 444.513 1.447 0 40 IDAB O=C(CCC(=O)c1cccs1)NCCC(=O)NCc1ccc(N2CCOCC2)nc1 25067163 GMBLSUPPUSHCHM-UHFFFAOYSA-N 430.530 1.765 0 40 IDAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccccc1OCCN1CCCC1=O)CC(=O)N2 36358952 OMTUFGYEZHGQJY-MRXNPFEDSA-N 448.483 1.739 0 40 IDAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC(O)CC3)cc2c1 57594503 YDFSXWZNLRSDCK-YLJYHZDGSA-N 440.504 1.248 0 40 IDAB C[C@@H](C(=O)NC1CCCCC1)N1CC[C@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 72342468 IKZXNYWLPQRPRE-YCRPNKLZSA-N 434.562 1.937 0 40 IDAB COc1ccc(C2(CNC(=O)CCc3nnc4ccc(OC)nn34)CCOCC2)cc1 72404608 UNPIKNDVIYMORI-UHFFFAOYSA-N 425.489 1.939 0 40 IDAB CCCCCCn1cc(S(=O)(=O)Nc2ccc(OCC)c(CO)c2)c(=O)[nH]c1=O 89953410 KUWVYGAXIAWMTJ-UHFFFAOYSA-N 425.507 1.809 0 40 IDAB CCNS(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)ccc1OC 222914733 ZWUICEJIDAGHEK-UHFFFAOYSA-N 441.531 1.462 0 40 IDAB C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 253374364 MBHQASNICXGLMX-SEPYTNNBSA-N 426.517 1.213 0 40 IDAB Cc1ccc2nc(C(=O)N3CCN(C)[C@H](C(=O)NCCOc4ccccc4C)C3)cn2c1 257236399 HBZBGZIGLYANGR-FQEVSTJZSA-N 435.528 1.903 0 40 IDAB O=C(CN1CCc2ccsc2C1)N1CCN(C(=O)CN2CCc3ccsc3C2)CC1 534126699 XGLPVIYVHPYKEL-UHFFFAOYSA-N 444.626 1.897 0 40 IDAB COc1ccccc1NC(=O)N1CCC2(CC1)N(CC1CC1)C(=O)[C@H]1CN(C)CCN12 1772595395 SKOUQDAKUKUZRZ-LJQANCHMSA-N 427.549 1.887 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@@H]4C3)ncnc21 1888944427 QFNRMTQNTVQPTG-GJZGRUSLSA-N 446.508 1.369 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CCC(=O)O)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 2128888 PCTAVKIIFJGKCY-XQNUDUSMSA-N 425.485 1.831 0 40 IDAB biogenic CS(=O)(=O)NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 3029584 CXQVBPCSGYTPIM-UHFFFAOYSA-N 438.346 1.848 0 40 IDAB Cc1cccc(OC[C@H](O)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 9089370 CJZPAUFXEUMAKP-GOSISDBHSA-N 449.511 1.808 0 40 IDAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccncc1 9344454 MUOPMGGJPKWPAE-OAHLLOKOSA-N 434.493 1.766 0 40 IDAB O=c1cc(CSc2ncccn2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]1 9421050 MXIJQUGPZSSKSM-UHFFFAOYSA-N 438.513 1.903 0 40 IDAB CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)s1 9644836 CJFXMSKVRHWMTH-NRFANRHFSA-N 443.481 1.849 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCCCN(C)C)cc1 9744787 HWWQEIDDRFEROM-GOSISDBHSA-N 438.594 1.112 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 11559116 VOPFNTQDZNURQT-MRXNPFEDSA-N 446.481 1.656 0 40 IDAB COc1ccc(-c2cc(C(=O)N3CCN(C(C)=O)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11997030 INEXIOGPKINKMF-KRWDZBQOSA-N 446.529 1.223 0 40 IDAB COc1ccccc1CC(=O)N1CCC[C@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1 12129609 JSBXLZXQWADBDY-HNNXBMFYSA-N 429.502 1.485 0 40 IDAB COc1cccc(N2C(=O)C[C@H](N(O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3=O)C2=O)c1 13811547 WMUSFXPHCBVQSB-ROUUACIJSA-N 439.424 1.359 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccnc3)[nH]c2=O)C1 19520471 BHGBOQURWNXZPM-KRWDZBQOSA-N 431.518 1.240 0 40 IDAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 21165504 DVJKJIRNIZTVEL-UHFFFAOYSA-N 432.498 1.655 0 40 IDAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)CNC(=O)c1ccc2c(c1)OCO2 23563737 CMOCLAPLNJWRPN-LLVKDONJSA-N 430.379 1.878 0 40 IDAB CCN1C[C@H](CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)Oc2ccccc21 23847167 UYTFQXTZHDLCGN-SFHVURJKSA-N 445.589 1.741 0 40 IDAB O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CCN(C/C=C/c2ccccc2)CC1 24683866 WFXXIFKYZSGXMX-QPJJXVBHSA-N 444.557 1.507 0 40 IDAB CCOc1ccccc1NC(=O)Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2 32615389 UQIOMTCPOAIZPY-UHFFFAOYSA-N 431.452 1.991 0 40 IDAB COc1ccc([C@@H](CNC(=O)CCn2ncc(=O)c3ccccc32)N2CCOCC2)cc1 32820499 HLBRTSFYLDHZBP-JOCHJYFZSA-N 436.512 1.985 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCc3cc(=O)n(C)c(=O)n3C)CCCC2)c1 32865271 OPNALQAKIVFOMB-UHFFFAOYSA-N 434.514 1.531 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)[C@H]3C=C[C@]21O3 35314561 GXSVIIIAPAWTCO-AUFFKQJYSA-N 441.503 1.670 0 40 IDAB COc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccccc3F)CC2)cc1OC 56998000 OTUKPLVEXLUESN-UHFFFAOYSA-N 430.480 1.720 0 40 IDAB COCCOc1ccc(NC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cn1 58157233 ZIMMYRSZKLOTBV-UHFFFAOYSA-N 429.525 1.774 0 40 IDAB COc1cccc(CCN2C[C@@]34CN(C(=O)c5cc(C)on5)C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 96146023 YFGTWIRBGBUUDG-LMNJBCLMSA-N 447.513 1.232 0 40 IDAB CCc1ccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)NCc4cnc(C)cn4)=NO3)C2)cc1 96225956 FUVFAISCSVFQLU-NRFANRHFSA-N 443.529 1.573 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 100779333 WDTCIIAPTUSGIT-UGCAPWQASA-N 444.491 1.777 0 40 IDAB biogenic NC(=O)C1CCN(C(=O)[C@H]2CC[C@H](CNC(=O)CNC(=O)c3ccccc3)CC2)CC1 101458031 UPYLCSPPBWDNKK-UWUNEBHHSA-N 428.533 1.063 0 40 IDAB COc1ccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)cc1 219269120 PIZBWJPVJGEDLO-HNNXBMFYSA-N 437.522 1.222 0 40 IDAB COC(=O)C1CCN(C(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1 220220800 WZWRZZNOWDJAKR-ZDUSSCGKSA-N 428.507 1.270 0 40 IDAB O=C1CCN[C@H](c2cc(I)c(O)c(I)c2)N1 408738838 WEPWCWKNXCUDHI-JTQLQIEISA-N 444.010 1.710 0 40 IDAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)N[C@H](CC1CC1)C(=O)O 554289725 KEGUOOQSUSEYGJ-CTNGQTDRSA-N 435.480 1.869 0 40 IDAB Cn1ncnc1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)NC3CCCC3)C[C@@H]1CO2 1772594594 ODPSGIHBLXJBEO-QGZVFWFLSA-N 439.520 1.451 0 40 IDAB COc1cc(C(=O)N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)cc(OC)c1OC 1888928895 CSYPKFUKJRANMM-HUUCEWRRSA-N 438.488 1.598 0 40 IDAB COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Br 2180541 WFVPYTAEXMIIEF-UHFFFAOYSA-N 436.310 1.693 0 40 IDAB biogenic Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1S(=O)(=O)N1CCCCC1 2643205 YCJHQIRPNHYYCU-UHFFFAOYSA-N 429.546 1.922 0 40 IDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 3016145 BSWWTYOCOKKKJJ-LJQANCHMSA-N 435.546 1.547 0 40 IDAB CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C 8725075 WHZLYZQUIREGLN-UHFFFAOYSA-N 430.896 1.831 0 40 IDAB O=C(Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3)NCCCO 9133924 LPIUSCFJXCHJHX-UHFFFAOYSA-N 427.526 1.650 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 9284317 QSIXEJROYWSVTC-UHFFFAOYSA-N 441.531 1.448 0 40 IDAB COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)ccc1OCC(=O)N1CCOCC1 9613193 BSIHEWMXHDDHMO-UHFFFAOYSA-N 433.417 1.025 0 40 IDAB O=C(CCN1CCC[C@@H](C(=O)N2CCOCC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 9982968 VSQNZZDZJCCCON-LOXVZWDBSA-N 446.592 1.742 0 40 IDAB C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC(F)(F)F 10930715 IZNWXACPWBDSTR-JTQLQIEISA-N 442.387 1.070 0 40 IDAB CCn1cc(C(=O)NCCC(=O)NCCc2ccco2)c(=O)c2cc3c(cc21)OCO3 12892206 FZBWFBZZJGMJOL-UHFFFAOYSA-N 425.441 1.822 0 40 IDAB biogenic O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC(=O)NC1CCCC1 13074548 QUUNTHZPBZUENI-UHFFFAOYSA-N 449.485 1.683 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1cccc(Cl)c1 13640115 TWBGQHGVDRMKGX-CVEARBPZSA-N 436.896 1.820 0 40 IDAB COc1cc2c(cc1OC)CN(CC(=O)NN1C(=O)NC3(CCC(C)CC3)C1=O)CC2 14095668 WNKBVOSEEPDDMP-UHFFFAOYSA-N 430.505 1.594 0 40 IDAB CCc1cccc2c1NC(=O)[C@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 15958407 SQGPABFIJDWYSY-FLBNHMQKSA-N 449.507 1.559 0 40 IDAB CC(=O)N1CCC(C(=O)N2CCC(Cc3c(CN(C)C)cnc4ccnn34)CC2)CC1 19704753 LQHHCGDBBZSICA-UHFFFAOYSA-N 426.565 1.831 0 40 IDAB CCOC(=O)[C@H](N)CS[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O 19814820 NXQCKDNMDMGVKK-NEPJUHHUSA-N 448.282 1.547 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 19960831 PQMKZDYILXCIJA-HULNYRCFSA-N 447.491 1.589 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)cc1 23674084 XLVFQSOAABSZII-WOJBJXKFSA-N 426.579 1.673 0 40 IDAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2cccs2)CC1 23703139 ZIWRRIOLMVJILQ-UHFFFAOYSA-N 426.564 1.657 0 40 IDAB C[C@H](N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)(C)C 27135848 CKFQGRZFRKSLPX-INIZCTEOSA-N 439.578 1.657 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 32686401 YRBGYTMFUYWGDG-UHFFFAOYSA-N 438.531 1.996 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 32827597 IQEKIBRIQOMHET-UHFFFAOYSA-N 443.529 1.708 0 40 IDAB COc1cc(NC(=O)C(=O)NCCN2CCCCC2)ccc1N1CCCCS1(=O)=O 40267135 PNUZEHQCSPGBCO-UHFFFAOYSA-N 438.550 1.166 0 40 IDAB NC(=O)[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1cccc(Br)c1 58750467 ICDPGYRBYUMPCH-GOSISDBHSA-N 432.274 1.907 0 40 IDAB CC(C)[C@H](N[C@H]1C=CS(=O)(=O)C1)C(=O)N1CCC(c2nn(C)c3ncccc23)CC1 72341211 XHIMYCXSZDYZJZ-WMZOPIPTSA-N 431.562 1.599 0 40 IDAB CCCCCN(C)C(=O)c1ncn2c1CN(CC(=O)OC)S(=O)(=O)c1ccccc1-2 96266234 ZSGBYUZUZCMNGL-UHFFFAOYSA-N 434.518 1.812 0 40 IDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(N2CCOCC2)cc1 100128642 RDRVQCSYTSJOPV-PMACEKPBSA-N 425.533 1.710 0 40 IDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O 109281997 SYLJYKZJBMQGIK-RUDMXATFSA-N 434.040 1.983 0 40 IDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2nc(C)n[nH]2)cc1Cl 226061620 KFLSRAFKUSGKCP-UHFFFAOYSA-N 447.970 1.694 0 40 IDAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(C(=O)c1cnc3cc(C)nn3c1N)C[C@H]2c1ccccc1 257304664 SMPRBUCLZBABQN-HIUFNZKISA-N 448.527 1.457 0 40 IDAB CC(C)c1nc2c(s1)CN(C(=O)c1ccnn1C)CC21CCN(S(C)(=O)=O)CC1 306123742 AVDQCMREHXBPKN-UHFFFAOYSA-N 437.591 1.949 0 40 IDAB O=C(NCC1CCOCC1)C1CCN(C2=NO[C@H]3CN(C(=O)c4ccco4)C[C@@H]23)CC1 306135896 PDZHJSUFOYJMJP-MJGOQNOKSA-N 430.505 1.319 0 40 IDAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Cn2nc(-n3cncn3)ccc2=O)CC1 585500895 RLHMXOTYMHPTAW-UHFFFAOYSA-N 433.394 1.790 0 40 IDAB Cc1cc(C(=O)N2CCN3CC(=O)Nc4cc(-c5cnn(C)c5)ccc4OC[C@@H]3C2)n(C)n1 1772594725 UYKGIWKJGNLLFH-SFHVURJKSA-N 449.515 1.287 0 40 IDAB Cc1cc(CCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)nc(C2CCNCC2)n1 2037879860 UOIJTDQLQQHFAO-PMACEKPBSA-N 447.580 1.551 0 40 IDAB CCOc1ccc(N2C[C@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 9191211 GDWCODHXHNODCL-MRXNPFEDSA-N 431.514 1.445 0 40 IDAB O=C(NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCCC1 9576875 APJPEIUJHACTGO-SFHVURJKSA-N 441.525 1.518 0 40 IDAB COc1cn(CC(=O)Nc2ccc(C(N)=O)cc2)c(CSc2ncccn2)cc1=O 10254941 RVRTUZNYZAINGO-UHFFFAOYSA-N 425.470 1.677 0 40 IDAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)c1 12322893 KYDJFKLAGUTNJT-CYBMUJFWSA-N 427.461 1.842 0 40 IDAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12599239 MQAONDYLTZKIMR-QVKFZJNVSA-N 439.468 1.727 0 40 IDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12852146 PIUNRLWWMUFRNI-UHFFFAOYSA-N 432.889 1.723 0 40 IDAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14140145 YNSMVGAGYUPQIT-IBGZPJMESA-N 439.541 1.425 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 17011511 VPOFVGDOSRDAKT-GOEBONIOSA-N 432.502 1.551 0 40 IDAB COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)C1 19076869 KYNUNUWZBYWGBH-TZMCWYRMSA-N 438.531 1.256 0 40 IDAB Cc1c([C@H]2CCCN(C(=O)CCCN3C(=O)NC(C)(C)C3=O)C2)n2c(nc1=O)CCC2 19554760 PDHGDTITQFOFAZ-HNNXBMFYSA-N 429.521 1.315 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3cccs3)[nH]c2=O)C1 19572901 FOHNVDUGLPSWEX-INIZCTEOSA-N 436.559 1.445 0 40 IDAB Cc1nc([C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)nc2c1CCC(=O)N2C 19738849 GWFKAXRYGSAONW-CQSZACIVSA-N 444.513 1.643 0 40 IDAB COC(=O)c1cc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc(C(=O)OC)c1 20245870 AMQNUGULEDMSOF-UHFFFAOYSA-N 449.485 1.755 0 40 IDAB CC1(C)Cc2c(sc3ncn4nc(C(=O)NCCCN5CCOCC5)nc4c23)CO1 20517580 VYPCIGGDQHLWCS-UHFFFAOYSA-N 430.534 1.642 0 40 IDAB CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cn2)CC1 22416436 DVQGJCZXTCSAFW-IBGZPJMESA-N 447.536 1.764 0 40 IDAB CCCCN(C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 24004943 AFEHOZFCNJBTKC-RBZFPXEDSA-N 437.566 1.362 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C(=O)NC(C)C 26112353 SMKQLGVBNPWNTF-UHFFFAOYSA-N 432.502 1.825 0 40 IDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 28846193 MHMSHPKXYIJDIF-CQSZACIVSA-N 445.497 1.435 0 40 IDAB O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)C1 31772880 YLFXTBAYFKLVRW-KRWDZBQOSA-N 435.589 1.649 0 40 IDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=O)[nH]2)cc1 32871486 QYDTZBQVVWWXLZ-UHFFFAOYSA-N 433.515 1.542 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3ccc(OCC(N)=O)c(OC)c3)C2=O)o1 34721382 QOMMQPMCHZKKAT-NTUHNPAUSA-N 429.385 1.032 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 39996271 CSWQRQHVYRARBX-QZTJIDSGSA-N 445.541 1.634 0 40 IDAB COc1ccc(OCCN2CCN(C(=O)C3CCN(c4ncccn4)CC3)CC2)cc1 40130619 FDZBGHQYSSQDEA-UHFFFAOYSA-N 425.533 1.925 0 40 IDAB Cc1ccc2c(Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)N3CCOCC3)cnc2n1 49004853 BZOBNKDJQPWHBI-UHFFFAOYSA-N 427.486 1.802 0 40 IDAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1ncc(C(=O)O)c(N2CCOCC2)n1 49469399 SCGWXDYLUDAOIM-UHFFFAOYSA-N 440.909 1.627 0 40 IDAB Cc1cc(NC(=O)CSCC(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)no1 89606736 OZTWOEKQACZXPO-CYBMUJFWSA-N 434.482 1.726 0 40 IDAB CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)Cc3ccccc3)CC2)O1 96243657 UQSMJWQMMXYZBR-SFHVURJKSA-N 432.546 1.628 0 40 IDAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2C)no1 96861624 FNLHHXDYOQAKKD-SNAWJCMRSA-N 441.532 1.407 0 40 IDAB COc1ccc(N2C(=O)C[C@H](N3CCC(C4CCN(S(C)(=O)=O)CC4)CC3)C2=O)cc1 106193681 FDGCPUOWGAIALM-FQEVSTJZSA-N 449.573 1.711 0 40 IDAB COc1ccc(-c2noc(CNS(=O)(=O)c3nnc(NC(=O)C(C)C)s3)n2)cc1 225766574 BBHYROLHMBLTAU-UHFFFAOYSA-N 438.491 1.670 0 40 IDAB Cn1ccc2cc([C@@H](O)CNS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)ccc21 238888899 QKKZMLMNXLVOPZ-IBGZPJMESA-N 427.482 1.844 0 40 IDAB CC(C)[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23 514288077 NBKVRNRJWWLJKF-WJHCDBIXSA-N 430.464 1.769 0 40 IDAB biogenic,in-vitro COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)cc1 585270268 SHCPLMIBXINTHT-HXUWFJFHSA-N 444.528 1.805 0 40 IDAB COc1cccc(C(C)(C)CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c1 585289076 CWZMNPNWPJFMOS-IRLDBZIGSA-N 434.558 1.359 0 40 IDAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O 643566463 SHECUJZYAUPHEG-PVAVHDDUSA-N 431.489 1.174 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)NCC2(N3CCSCC3)CCOCC2)cc1 1888941719 OTMGPCOPOLESLY-UHFFFAOYSA-N 429.564 1.741 0 40 IDAB COc1cc(CN(C)C[C@@]2(O)CCCN(c3cnccn3)C2)ccc1OCCN(C)C 2037921705 SIQLMVIQLNSVQE-QHCPKHFHSA-N 429.565 1.889 0 40 IDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 4400426 WLTXBJDNNIVYSH-MFKMUULPSA-N 435.481 1.294 0 40 IDAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NC1CC1 8665026 SWMPVBUFKXOMHF-UHFFFAOYSA-N 432.454 1.694 0 40 IDAB COc1ccc(CC(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1 9390488 SIJIGUFKUYOXKL-UHFFFAOYSA-N 448.497 1.669 0 40 IDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9593184 HSMWQNLAKNLPRO-FQEVSTJZSA-N 429.542 1.712 0 40 IDAB CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9633448 IIQFIXWZWFAVPV-UHFFFAOYSA-N 447.513 1.788 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSC2=NS(=O)(=O)c3cc(Cl)ccc3N2)CC1 9761950 QINXIMZGCWRZKM-UHFFFAOYSA-N 446.938 1.844 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 9788190 IGMDAMPNPOOCKX-UHFFFAOYSA-N 448.425 1.126 0 40 IDAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)COC(=O)c1nccnc1N 10141093 PYWQCAUAAXQFRI-UHFFFAOYSA-N 445.785 1.985 0 40 IDAB O=C(NCCCc1ccccc1)C(=O)NC[C@H]1OCCN1C(=O)c1ccc2c(c1)OCO2 12080731 WVDSSQHABJBYDJ-HXUWFJFHSA-N 439.468 1.079 0 40 IDAB Cc1cc(N2CCCC2)nc(C2CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)n1 12142970 DDHADDRGSXSDDB-QHCPKHFHSA-N 440.548 1.812 0 40 IDAB COc1cc(Br)c(CCn2c(N)c(Br)c(=O)[nH]c2=O)cc1OC 12418142 PQRSRSOMHVJDLZ-UHFFFAOYSA-N 449.099 1.904 0 40 IDAB biogenic,in-vitro CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)ccc21 12928771 BHFMAEIBACOQFZ-QGZVFWFLSA-N 428.514 1.575 0 40 IDAB C[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C 19076930 OTLGGJKPIWALSS-AGIUHOORSA-N 440.547 1.596 0 40 IDAB CCOc1ccc([C@]2(C)C(=O)N(CN3CCOCC3)C(=O)N2CN2CCOCC2)cc1 19312599 HQISKOUIEFIJGP-JOCHJYFZSA-N 432.521 1.144 0 40 IDAB COc1cccc(OCCCN2CCN(Cc3ccnc(N4CCOCC4)n3)CC2)c1 19565962 QBOZUDALBNJTTG-UHFFFAOYSA-N 427.549 1.909 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)[nH]c2=O)C1 19572960 VDSGOKDQAMAXBY-QGZVFWFLSA-N 434.493 1.133 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 19690090 OXTFROKIZWQNEW-LJQANCHMSA-N 446.511 1.985 0 40 IDAB CCN1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 19820981 ZTEKJIVUCSMFLC-OALUTQOASA-N 428.620 1.561 0 40 IDAB O=C1C[C@@H](NC2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 19890320 WIKVVFZUGKIAOX-LJQANCHMSA-N 431.489 1.901 0 40 IDAB Cc1ccc(NC(=S)NCCN2CCOCC2)cc1S(=O)(=O)N1CCCCC1 21475702 PEDLUBWKTAHFTP-UHFFFAOYSA-N 426.608 1.788 0 40 IDAB O=C([C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccccc1)N1CCOCC1 21625203 HEYUUZOBMUAFRC-WMLDXEAASA-N 437.543 1.739 0 40 IDAB CCCn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2c(C)nn(C)c2c1=O 28557095 BXVVZUPMELEOBV-UHFFFAOYSA-N 448.524 1.498 0 40 IDAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 32894203 ATBUADZDHVOAFL-FQEVSTJZSA-N 427.526 1.784 0 40 IDAB CCS(=O)(=O)N1CCN(CC(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)CC1 36007361 ZPMIEVYVWKEFLO-UHFFFAOYSA-N 443.932 1.630 0 40 IDAB CCc1nnc(NC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)s1 72326739 UGKBONPSYCMVEU-FKIZINRSSA-N 429.502 1.959 0 40 IDAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c(OC)c1 95445232 FOVBDXLEVPPTMM-UHFFFAOYSA-N 428.414 2.000 0 40 IDAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1ccccc1CN1CCC(O)CC1 97012008 ZAZXVYKGJOKJDT-RZUBCFFCSA-N 446.617 1.985 0 40 IDAB Cc1cc(C)nc(N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccco2)n1 101682070 IPLRTQLUYBDNRR-KRWDZBQOSA-N 436.350 1.407 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 222466932 LXXRWLJUFFRCJZ-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB O=C(Nc1nnc(S(=O)(=O)NCCCN2CCOCC2)s1)c1ccc(Cl)cc1 222713744 CGTFLKNWHJWCOZ-UHFFFAOYSA-N 445.954 1.444 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCc1ccco1 224706784 PPZNAYIDZIWYMV-UHFFFAOYSA-N 436.530 1.991 0 40 IDAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]12 226650667 PNMGKNIZLDIVSS-DEVSCXNHSA-N 427.409 1.545 0 40 IDAB CN1CCn2c(C(=O)NCCN3CCCC3)nnc2C12CCN(Cc1ccccc1)CC2 306137752 RFAZLLSQHPLTFG-UHFFFAOYSA-N 437.592 1.540 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCc1cccnc1 408607090 QAINNXBQLAKJOH-UHFFFAOYSA-N 425.894 1.451 0 40 IDAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(C)CC2)cc1 409003445 GNADWVCZFSYHCO-UHFFFAOYSA-N 431.558 1.703 0 40 IDAB CC(=O)N1CCCN(C(=O)CN2Cc3ccccc3NC3(CCNCC3)CC2=O)CC1 2037989012 RHAREAURRAPLGA-UHFFFAOYSA-N 427.549 1.034 0 40 IDAB Cc1c(OCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)ccc2c3c(c(=O)oc12)CCCC3 2120684 RXLNFPDLAMNJEM-FQEVSTJZSA-N 444.484 1.701 0 40 IDAB biogenic COC[C@@H](C)n1c(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O 2619597 OHODDAOJSYKKKF-ZIAGYGMSSA-N 439.559 1.342 0 40 IDAB COC(=O)Cc1cc(O)nc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 8720708 VGFNLSSGLDZEJB-CYBMUJFWSA-N 432.502 1.854 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1OCC(=O)O 8765460 DVENRNKFWMZEEL-NDRNKPEZSA-N 443.452 1.879 0 40 IDAB biogenic O=C1C[C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)CN1c1ccc2c(c1)OCO2 9037403 HQYYXXAIRAQTIB-CYBMUJFWSA-N 432.454 1.518 0 40 IDAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(OC)ccc3OC)c2N)cc1 9226934 CCFNVHFUGDJQHK-UHFFFAOYSA-N 426.433 1.777 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3nnc(-c4cccnc4)n3)C2)cc1F 12085418 KDNMLCZJYPSNFW-CQSZACIVSA-N 432.481 1.984 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)o2)nn1C 12443140 KLLNQGQIJCAQKS-GFCCVEGCSA-N 436.519 1.879 0 40 IDAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccncc1 13592968 DUKCGSZRJADXKT-UHFFFAOYSA-N 430.530 1.305 0 40 IDAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1cccnc1 13720778 RAHXTMQVINFQDA-UHFFFAOYSA-N 425.488 1.025 0 40 IDAB CC(C)C(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 19699417 FGZRQTPNRWSQEI-UHFFFAOYSA-N 426.517 1.860 0 40 IDAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN(CC(=O)NCC(C)C)CC1 22013053 YMSRVWJQXZIOIO-UHFFFAOYSA-N 437.972 1.093 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN1CCN(C)CC1 22933329 UUQPTQORGTVQJW-UHFFFAOYSA-N 438.594 1.237 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1OC 23135034 ZTGOMUJSDYIEDW-UHFFFAOYSA-N 444.517 1.186 0 40 IDAB COc1ccc(Cl)cc1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 24846278 RCTDOMSVTIOYQF-UHFFFAOYSA-N 425.894 1.934 0 40 IDAB COc1ccc(C(=O)NCc2ccccc2Cn2cncn2)cc1S(=O)(=O)NC(C)C 33105756 DSVKIRSNQRULCK-UHFFFAOYSA-N 443.529 1.952 0 40 IDAB O=S(=O)(c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)N1CCCC1 35310813 LEWUMEDZHKTFGT-UHFFFAOYSA-N 435.571 1.982 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)Cc2csc(NC(=O)/C=C/c3ccccc3)n2)CC1 38739513 YQOMAAMKPQDEKF-BQYQJAHWSA-N 434.543 1.441 0 40 IDAB CN1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)C3CN(Cc4ccccc4)C3)n2)CC1=O 72352035 FRCQKWNYVBKENN-SFHVURJKSA-N 436.560 1.579 0 40 IDAB CN1C(=O)[C@H]2[C@@H](C1=O)N1[C@H](c3cccs3)[C@H]3C(=O)N(C)C(=O)[C@H]3N1[C@H]2c1cccs1 170620935 SPHHDFIPWOIWAC-ODICJLLRSA-N 442.522 1.105 0 40 IDAB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 249700063 XFNASZKKNLWFAK-GFOJFJKKSA-N 426.561 1.576 0 40 IDAB CN(CCN1C(=O)c2ccccc2C1=O)c1nnc(-c2nnc(O)c3ccccc23)n1C 508447727 SCCCVVGNSPUGBU-UHFFFAOYSA-N 429.440 1.863 0 40 IDAB Cn1ncnc1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)c3nccs3)C[C@@H]1CO2 1772594485 FFBPOOHPGBVRSE-CQSZACIVSA-N 439.501 1.096 0 40 IDAB CCOc1ccccc1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nnc(C)n4n3)C[C@@H]2C1 1888920870 KWMCOIYGDLRSRD-IYBDPMFKSA-N 428.518 1.588 0 40 IDAB O=c1c(-c2ccc(Cl)cc2)coc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12 1152072 PIIJBWCFNYXGGN-JFHUYLGKSA-N 434.828 1.292 0 40 IDAB COc1ccccc1C(=O)NCCn1ncc2c(N3CCOCC3)nc(SC)nc21 8947132 TYVICGNDUFIJDP-UHFFFAOYSA-N 428.518 1.823 0 40 IDAB CCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2cc(S(N)(=O)=O)ccc21 9126835 RNYVQLSBRBQDMX-UHFFFAOYSA-N 437.503 1.415 0 40 IDAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1cccnc1 9340606 RKSQYXICRAPZCN-DOTOQJQBSA-N 448.520 1.443 0 40 IDAB O=C(CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCC3)NC[C@@H]1CCCO1 9479267 VFXPSCHBTUJVDD-JTQLQIEISA-N 429.531 1.766 0 40 IDAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)NC1CC1 9633219 XDTPZPXPMQEYRK-UHFFFAOYSA-N 437.301 1.450 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc1 9674857 VTCXGOMCZWQORZ-MSOLQXFVSA-N 439.403 1.934 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1 11856908 JWDBALXEAPJVOK-UHFFFAOYSA-N 432.429 1.935 0 40 IDAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)C[C@H]2CCCO2)CC1 12229912 UNHABJXVCQNVLW-QGZVFWFLSA-N 431.518 1.249 0 40 IDAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14140143 YNSMVGAGYUPQIT-LJQANCHMSA-N 439.541 1.425 0 40 IDAB CN(c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1)S(C)(=O)=O 14153294 DXYLWOXNQAGVDW-UHFFFAOYSA-N 440.547 1.334 0 40 IDAB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)c1cnn(-c2ccccc2)n1 15222968 FAVCUUQOZGVLMI-UFYCRDLUSA-N 433.417 1.298 0 40 IDAB COc1ccc(-n2c(S)nnc2CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 16913774 QQYTZUOAIOPXSJ-UHFFFAOYSA-N 447.542 1.745 0 40 IDAB CC(C)n1c(O)c([C@@H]2c3ccccc3Oc3nc(O)n(C(C)C)c(=O)c32)c(=O)[nH]c1=O 18039719 GMKGOVGULOZXML-ZDUSSCGKSA-N 426.429 1.952 0 40 IDAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NCCN3CCCC3)CC1)NC2=O 19219584 AIUODJDXHFRTNV-GAJHUEQPSA-N 427.549 1.460 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C[C@H]3C=CCC3)[nH]c2=O)C1 19520451 AGVPGZVOALRXEF-YJBOKZPZSA-N 434.562 1.888 0 40 IDAB O=C(CNC(=O)c1cc(Cl)ccn1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 21899104 BSEOSEXHXVWIDR-UHFFFAOYSA-N 438.893 1.594 0 40 IDAB COc1cccc(N(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)c1 22332195 JQDFOVWUAXKUOO-UHFFFAOYSA-N 438.502 1.803 0 40 IDAB O=C1O[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)Cc2ccccc21 23078436 GPHGFOPSJLKHAL-GOSISDBHSA-N 434.901 1.955 0 40 IDAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(NS(C)(=O)=O)CC2)nc1 25046623 JKDFGUVERAGSTI-UHFFFAOYSA-N 438.575 1.815 0 40 IDAB COC(=O)c1ccc(CS(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 30847312 QQYLCUFNUSKNDZ-UHFFFAOYSA-N 432.498 1.850 0 40 IDAB COc1ccc(-n2ncc(C(=O)N3CCC[C@H](c4nncn4C)C3)c2C(F)(F)F)nn1 48299918 JDIBGZFSGAAWKC-NSHDSACASA-N 436.398 1.838 0 40 IDAB Cc1cc(C(=O)CN(C)CC(=O)N2CCOCC2)c(C)n1Cc1ccc2c(c1)OCO2 57381141 MOOISIMXYKFABP-UHFFFAOYSA-N 427.501 1.855 0 40 IDAB CCOC(=O)CN(CC(F)(F)F)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 60247155 NUEYQSMYPNPTHP-LJQANCHMSA-N 441.406 1.939 0 40 IDAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)c2ccncc2)CC1 72335923 YOURXUSZPDYVKV-UHFFFAOYSA-N 431.518 1.132 0 40 IDAB O=C(NCC1CC1)[C@H]1CCCN(CC2(CN3CCC[C@H](C(=O)NCC4CC4)C3)COC2)C1 89598103 ODJIDGNALLTFAK-VXKWHMMOSA-N 446.636 1.479 0 40 IDAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)s1 95457531 DAPVLEQZKSIOQN-OAHLLOKOSA-N 427.592 1.885 0 40 IDAB O=C(NCCCc1nnc2ccccn12)c1cc(Br)ccc1-n1cnnn1 95478120 BTLOXZVBYZVVFS-UHFFFAOYSA-N 427.266 1.830 0 40 IDAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(C)cc2)C1 138751699 IMFFKNYSFHXLGK-INIZCTEOSA-N 425.441 1.679 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 222471292 VCFAVMCLKBZQHG-SFHVURJKSA-N 446.573 1.771 0 40 IDAB O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@@H](N2C(=O)CSC2=O)C1 225704343 BBPVDTAOIWRENJ-GFCCVEGCSA-N 431.923 1.305 0 40 IDAB O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C[C@H]2CCCO2)CC1 257205697 BAFYVYMMJBKAMP-VQTJNVASSA-N 443.592 1.082 0 40 IDAB Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)c4ccc(OCCN)cc4)C3)c2n1 257225037 FENUVDLJVGZONV-DEOSSOPVSA-N 435.528 1.989 0 40 IDAB COCC(=O)NCc1ccc([C@@H]2CN(C)C[C@@H]2C(=O)NCCc2ccc(OC)cc2)cc1 257316773 VGYQFTZMINLPFS-GOTSBHOMSA-N 439.556 1.962 0 40 IDAB Cc1ccc(S(=O)(=O)N2CC3(C2)[C@@H](COCc2ccccn2)CCS3(=O)=O)cc1 306140157 UMATYNKTOAXUEC-QGZVFWFLSA-N 436.555 1.785 0 40 IDAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)nc21 390828209 PLVQJNIUFBUTLO-CYBMUJFWSA-N 439.501 1.787 0 40 IDAB COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cn1cnc2c(OC)ncnc21 524732217 NSOXPGCJXMAZHN-ZWKOTPCHSA-N 430.553 1.965 0 40 IDAB biogenic COc1ccc(OC)c(S(=O)(=O)N(CCCCCC(=O)O)[C@H]2CCS(=O)(=O)C2)c1 575423903 SNVTWXZUHUGIQO-AWEZNQCLSA-N 449.547 1.527 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)cc1Cl 1888920884 AYROMYVGCMNXCY-KBPBESRZSA-N 448.936 1.852 0 40 IDAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 1889096236 KMCLVYHEHMMJPW-HXUWFJFHSA-N 445.479 1.496 0 40 IDAB CN1CCc2c(n(C[C@H](O)CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c3ccccc23)C1=O 1323338 JVMHZMCCBNIUKG-IPMKNSEASA-N 446.551 1.911 0 40 IDAB biogenic CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 8692349 DUVVIBBOEMVUCH-GFCCVEGCSA-N 429.470 1.004 0 40 IDAB Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 9261632 OWWNJDODWNVUGV-UHFFFAOYSA-N 440.529 1.779 0 40 IDAB CCCCn1c(SCC(=O)NC(=O)NCCOC)nc2cc(S(N)(=O)=O)ccc21 9511896 MLDLRYCAYBLISJ-UHFFFAOYSA-N 443.551 1.048 0 40 IDAB Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9570274 ZINKSVCKRATCFZ-UHFFFAOYSA-N 441.550 1.564 0 40 IDAB COCCCNC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 9739659 XXBBTOIWHLZIAJ-UHFFFAOYSA-N 437.543 1.981 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(OC)cc2)n2nnnc2N1 10232155 KULIUERXOFINCH-QGZVFWFLSA-N 436.384 1.915 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1 11856900 BQLUZGWUQMNLJU-UHFFFAOYSA-N 446.456 1.978 0 40 IDAB C[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)CCc1nn(C)c(=O)c2ccccc12 12186230 LPFDGUVJFCMNJU-ZDUSSCGKSA-N 439.497 1.949 0 40 IDAB O=C(COC(=O)CCNS(=O)(=O)c1cccnc1)Nc1ccc2c(c1)OC(F)(F)O2 12545992 HYCZBVFHUYWCSL-UHFFFAOYSA-N 443.384 1.253 0 40 IDAB CC(C)C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(I)cc1 12555696 WCIOPRGJLDRDQR-LBPRGKRZSA-N 433.246 1.856 0 40 IDAB COc1ccc(-c2nnc3[nH]c(=O)n(C)c(=O)c3n2)cc1CSc1nnc(C)s1 13855768 FQZPEKCBJHZTCP-UHFFFAOYSA-N 429.487 1.540 0 40 IDAB O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NC(=O)NCc1ccccc1 16050339 CZNCUCBVIQRGOT-LFIBNONCSA-N 442.541 1.631 0 40 IDAB COc1ccccc1CN1CCc2c(O)nc([C@H]3CCN(C(=O)Cn4cccn4)C3)nc2C1 19570679 KZHAAMWOEWJTBR-SFHVURJKSA-N 448.527 1.962 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 20610775 DUCJOSYWMDPMOJ-WRBHQVCWSA-N 449.507 1.613 0 40 IDAB COc1cc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc(OC)c1OC 22363239 DZYDDSRFYQKUTG-UHFFFAOYSA-N 426.466 1.934 0 40 IDAB Cc1cc2c(cc1Br)[C@@H](O)[C@@](CN1CCOCC1)(N1CCOCC1)CO2 22941730 JMBQVTAGEXASNE-MOPGFXCFSA-N 427.339 1.587 0 40 IDAB Cn1cccc1C(=O)NCCNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 23003367 PLXRTGGRNKHCBI-UHFFFAOYSA-N 446.554 1.725 0 40 IDAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 23249376 HNRNZCSISRYSEH-CVEARBPZSA-N 436.603 1.620 0 40 IDAB COc1ccc(-c2nc(CN3CCN(C(=O)c4cn(C)c(=O)[nH]c4=O)CC3)cs2)cc1 32913313 MYPLYTKYGXLFAW-UHFFFAOYSA-N 441.513 1.164 0 40 IDAB CC(C)[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C[C@@H]([C@@H]2C=C[C@@H](C)C2)C1=O 35982628 WBHZECPWZFPNII-GNSPCKGOSA-N 433.530 1.884 0 40 IDAB CN1CCN(CCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)[C@H](c2ccccc2)C1 40087351 BARKDVHMEYZLPF-FQEVSTJZSA-N 438.528 1.640 0 40 IDAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c2)n1 48252539 NEJJVKRSQWKEJG-LJQANCHMSA-N 441.488 1.904 0 40 IDAB COc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3cccc(OC)c3)n2)cc1 49421684 MUNBEOIPWMYSQC-UHFFFAOYSA-N 429.454 1.732 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl 57414995 FSHDOIMEJGIBTK-GOSISDBHSA-N 442.907 1.733 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)c1 57520489 PXKYNUHWJQYAAG-UHFFFAOYSA-N 445.501 1.413 0 40 IDAB COC(=O)c1ccccc1NC(=O)C[C@@H](CN1CCCN(c2ncccn2)CC1)C(=O)O 61721596 IZRAXIVZIHNTQZ-INIZCTEOSA-N 441.488 1.505 0 40 IDAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 65590307 YSVONJXWRUZMKI-MELMLQDISA-N 431.558 1.360 0 40 IDAB O=C([C@@H](c1cccc(F)c1)N1CCOCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 72296598 CJFVKEVHTUZQMR-HXUWFJFHSA-N 448.520 1.127 0 40 IDAB CC(C)CONC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 96012462 UFUZYGNNPBFYBX-ZDUSSCGKSA-N 425.429 1.322 0 40 IDAB Cn1cc(CN2C[C@@H]3CN(Cc4ccco4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 96056185 GRSNJOSAYGKXPU-REWPJTCUSA-N 427.549 1.586 0 40 IDAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 223911331 OHSSRIWMOCRKOO-UHFFFAOYSA-N 441.535 1.700 0 40 IDAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225761520 TXHSJTHIYXUCHD-UHFFFAOYSA-N 425.416 1.964 0 40 IDAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)cc1 257229729 FZGLZXRYUBDWCJ-INIZCTEOSA-N 447.561 1.358 0 40 IDAB CN1CCN(C[C@]2(O)CCN(Cc3ccc(OCCCN4CCCC4=O)cc3)C2)CC1 585270647 OAKHALHNVQMWBG-XMMPIXPASA-N 430.593 1.262 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 1345727 DMKYIMQDGCLXOD-UHFFFAOYSA-N 445.541 1.806 0 40 IDAB Cc1cc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1Br 3432408 VLTWGINUXWOFIN-UHFFFAOYSA-N 433.349 1.926 0 40 IDAB CCCCn1c(SCC(=O)NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 6162130 FYCQEWNGQXQCFV-UHFFFAOYSA-N 429.546 1.685 0 40 IDAB COc1ccc(OC)c(NC(=O)CN2C(=O)[C@@H]3C[C@H](O)CN3C(=O)c3ccccc32)c1 8764681 LTMHMEWIUFQEGY-UGSOOPFHSA-N 425.441 1.265 0 40 IDAB biogenic C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 9218615 VDQNPPUIUSARPH-YJYMSZOUSA-N 439.921 1.285 0 40 IDAB CCCCn1cnc2c1c(=O)n(Cc1cc(=O)n3ccsc3n1)c(=O)n2CC(C)C 9635250 NHJSHCVRQUFUEC-UHFFFAOYSA-N 428.518 1.934 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 9704009 FDGLCEVJBHVJCL-QFIPXVFZSA-N 439.424 1.982 0 40 IDAB O=C([C@@H]1CN(C(=O)CCn2c(=O)oc3ccccc32)c2ccccc2O1)N1CCOCC1 9862858 WUWGDAQVJBPFHI-FQEVSTJZSA-N 437.452 1.638 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 10544410 OEDGBGXLGKARGK-ZDUSSCGKSA-N 447.941 1.804 0 40 IDAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc21 10856541 ZCARSYGJQADRBF-ZDUSSCGKSA-N 445.501 1.886 0 40 IDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 11858236 TUAQJUOQLVRPDC-LBPRGKRZSA-N 438.483 1.587 0 40 IDAB COc1cc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc(OC)c1OC 11867266 UXFOHEKXMJPWPM-HXUWFJFHSA-N 442.468 1.837 0 40 IDAB O=C1COc2ccc(C(=O)COC(=O)CNC(=O)c3cccc(OC(F)F)c3)cc2N1 12556076 TWINJRKVQPXNKJ-UHFFFAOYSA-N 434.351 1.775 0 40 IDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13117591 PEDXHKAAGMHLPY-UHFFFAOYSA-N 430.534 1.022 0 40 IDAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)N(CCC(N)=O)c1ccc(F)cc1 17733674 SPAWJPBQOTUJTC-UHFFFAOYSA-N 425.420 1.780 0 40 IDAB COc1ccc(CN2CCc3c([nH]c([C@H]4CCN(C(=O)c5cnn(C)c5)C4)nc3=O)C2)cc1 19290539 IQODIUPZDCQOQW-KRWDZBQOSA-N 448.527 1.700 0 40 IDAB COCCN1C[C@@H](C(=O)N2CCC(C(=O)c3cnn(-c4ccccc4)c3N)CC2)CC1=O 19593340 VECCYHCTEBFINR-KRWDZBQOSA-N 439.516 1.371 0 40 IDAB CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)CNS(C)(=O)=O)CCO2)nc2ccccc12 19762761 KIWWAWKVNIZYCT-IBGZPJMESA-N 448.545 1.070 0 40 IDAB COc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(OC)c1OC 20457109 AXWZRUVLLRFBAH-KRWDZBQOSA-N 436.486 1.556 0 40 IDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCN(CCCc2ccccc2)CC1 20675962 PUUZFKBYJCARJB-UHFFFAOYSA-N 449.559 1.235 0 40 IDAB O=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 21896161 OPRISGRWOWRKOZ-UHFFFAOYSA-N 429.542 1.890 0 40 IDAB CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(=O)CN4CCNCC4)ccc3OCC)nc12 22056090 WEOQBTNHLQVMQF-UHFFFAOYSA-N 438.532 1.763 0 40 IDAB in-vitro Cc1csc(=O)n1CCC(=O)O[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 22384985 SBJYMNDRCFSUEU-SNVBAGLBSA-N 445.419 1.712 0 40 IDAB Cc1c(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)c(=O)n(-c2ccccc2)n1C 23187611 XKCDIABTQQAVKQ-UHFFFAOYSA-N 448.527 1.947 0 40 IDAB CCOc1ncccc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 32787251 QXJBIUKOFVFZNE-CQSZACIVSA-N 435.502 1.625 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(F)ccc1F)C(=O)OC 36569347 YFZDEDFEWYXBAY-CRAIPNDOSA-N 436.415 1.840 0 40 IDAB COc1ccccc1N1CCN(C(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)CC1 38836272 NNZGXRAQOHZRBM-OAQYLSRUSA-N 445.541 1.961 0 40 IDAB CCCSc1ncc(Br)c(C(=O)NCC(=O)NCCCC(=O)OC)n1 46086662 XIBQFNPVMHOFHU-UHFFFAOYSA-N 433.328 1.540 0 40 IDAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1 57544379 YTYCDCBTTDXPNH-KDURUIRLSA-N 436.622 1.721 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)CCC(=O)OC)CC2)cc1 72272620 LJEUTDNZCSCETH-UHFFFAOYSA-N 426.535 1.898 0 40 IDAB COC(=O)c1sccc1NC(=O)C[C@H](CN1CCN(c2ncccn2)CC1)C(=O)O 72404628 ZUUUAMOVBGDOSZ-CYBMUJFWSA-N 433.490 1.176 0 40 IDAB Cc1cc(C)nc(Nc2ccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)n1 79489023 BSRATLJNWPXRLH-IBGZPJMESA-N 429.546 1.782 0 40 IDAB CC[C@H](O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 95461721 DVFNVZLXBWZKJK-NSHDSACASA-N 425.334 1.857 0 40 IDAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96105228 LXVQLBBLMVEORK-UHFFFAOYSA-N 434.504 1.749 0 40 IDAB COc1ccc(C(=O)NC[C@H]2O[C@H](Cc3cc(CN4CCOCC4)on3)CC[C@@H]2O)cc1 96269002 HLMVLCPFKDNJJY-ILWGZMRPSA-N 445.516 1.396 0 40 IDAB biogenic,in-vitro COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)c1cccc(NS(C)(=O)=O)c1 102771637 SJASCQQVLJDXFC-XNTDXEJSSA-N 428.488 1.195 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222468141 PWDPLHCDCXCGBR-OAHLLOKOSA-N 429.498 1.303 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)CC1 223127033 PPXMZYRGVHJJAS-UHFFFAOYSA-N 425.536 1.652 0 40 IDAB C[C@@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(S(C)(=O)=O)cc1 223875580 QNQDLBSUJPCTRT-CYBMUJFWSA-N 436.511 1.502 0 40 IDAB COc1cc(CN2C[C@H](CC(N)=O)[C@H](OC(=O)c3ccccc3)C2)ccc1OCC(N)=O 643587098 UNGUDUBMGGVWBI-FXAWDEMLSA-N 441.484 1.092 0 40 IDAB O=C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCN1c1ccnc(C(F)(F)F)c1 1775973149 IURABHHVGBFBST-UHFFFAOYSA-N 443.403 1.909 0 40 IDAB O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CC(n2nc(-c3ccncc3)ccc2=O)C1 1775973819 GPSRBIHETHVTPV-UHFFFAOYSA-N 440.463 1.613 0 40 IDAB COc1ccc(F)c(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4ncc(C)cn4)C3)C2)c1 2056226585 VLHJZDYPGCVLEW-SIKLNZKXSA-N 430.480 1.609 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N(C)c1ccc(O)cc1 3297189 MIYYLLRBEKSUQZ-UHFFFAOYSA-N 449.554 1.873 0 40 IDAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COC(=O)Cn1cnnn1)CC2 3310675 FZGABWNLAZGACM-JOCHJYFZSA-N 437.456 1.408 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(N3CCN(c4cccc(Cl)c4)CC3)nc2)CC1 3440233 HGBOAJSVXRCVHZ-UHFFFAOYSA-N 435.981 1.998 0 40 IDAB Cn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(F)cc1 3519443 AOICJVFDWRDKRT-UHFFFAOYSA-N 449.533 1.720 0 40 IDAB O=C(O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 4684268 ZORDBMVWKMEZAC-MSOLQXFVSA-N 428.441 1.958 0 40 IDAB Cc1cc(O)c2c(C)c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1 9215854 YFKSNNCROMAJFX-UHFFFAOYSA-N 430.482 1.664 0 40 IDAB O=C(NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCCC1 9576871 APJPEIUJHACTGO-GOSISDBHSA-N 441.525 1.518 0 40 IDAB CCS(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 9616558 VSZWFVAQBAPMHP-UHFFFAOYSA-N 449.554 1.726 0 40 IDAB COc1ccc(NC(=O)CSc2nnnn2C)cc1S(=O)(=O)N1CCCCC1 9662430 CUDJQEULTWVSBN-UHFFFAOYSA-N 426.524 1.124 0 40 IDAB CN1C(=O)C(=C(Nc2ccccc2)SCC(=O)NC[C@@H]2CCCO2)C(=O)N(C)C1=O 9974239 GKNPGNKMLFGNBI-AWEZNQCLSA-N 432.502 1.389 0 40 IDAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)c1ccc2c(c1)OCO2 10022189 OXZNHVVUHCINTI-UHFFFAOYSA-N 430.438 1.660 0 40 IDAB O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 10060212 ZISWVKLLOZYGHL-MRXNPFEDSA-N 438.527 1.556 0 40 IDAB CCN(CC(=O)Nc1cc(F)cc(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10431851 MEVAPWZDFDNRHQ-UHFFFAOYSA-N 429.427 1.910 0 40 IDAB Cn1c(=O)n(CCC(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)c2ccccc21 11490691 RZSLOROTTPKKFQ-UHFFFAOYSA-N 432.440 1.368 0 40 IDAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(C(=O)c2ccco2)CC1 11613626 QXKHVUUCVSLUBK-AWEZNQCLSA-N 428.514 1.737 0 40 IDAB O=C(c1cnn(-c2ccccc2)n1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12676721 CKSUVTQSXZPZOU-UHFFFAOYSA-N 429.477 1.943 0 40 IDAB Cn1cc(S(=O)(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c(=O)n(C)c1=O 12936930 KRABMZBJZUJVCZ-KRWDZBQOSA-N 438.509 1.676 0 40 IDAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 13040223 SGGCEKKVVIMYCR-UHFFFAOYSA-N 437.440 1.878 0 40 IDAB CC[C@H](C)N(C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 13041095 CNPHIMUXYUAWBF-WJPUGNRLSA-N 435.546 1.658 0 40 IDAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1 13120113 XXXWEHPIWANBDJ-UHFFFAOYSA-N 438.517 1.298 0 40 IDAB C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 13296292 ILHARJDHIPSJBM-YPMHNXCESA-N 435.506 1.739 0 40 IDAB CC(=O)O[C@@H]1[C@@H](n2cc(C(=O)C(=O)O)c3ccccc32)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O 13550963 GKASZHXFBQGIKI-LMCOJAPRSA-N 447.396 1.233 0 40 IDAB CC(=O)Nc1ccc(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1 14252342 IAEOWBKQVLWPHW-UHFFFAOYSA-N 431.514 1.525 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)CC1 19572243 DORAVVYVCNDACL-QIDMFYOTSA-N 446.573 1.592 0 40 IDAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)COCCN2CCCC2=O)CCO1 19703016 ZICHHYQFUUDDKH-HNNXBMFYSA-N 446.529 1.195 0 40 IDAB CCOC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)CC1 19797271 OKOUOIPAJQSPIT-IRXDYDNUSA-N 449.978 1.554 0 40 IDAB COC(=O)c1ccc(NS(=O)(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 21010404 NRNJIPAXKXGZAX-OAHLLOKOSA-N 427.504 1.447 0 40 IDAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)ccc2N1S(C)(=O)=O 23316131 IUFPWMTVGCNBDB-WBVHZDCISA-N 435.546 1.108 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)NC1CCCCCCC1 32911244 HOGDILNXHBPGJP-UHFFFAOYSA-N 436.505 1.872 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)CC1 38946936 GRFRPIBESVQMRF-MOPGFXCFSA-N 437.537 1.272 0 40 IDAB CN(C)C(=O)CN1CCN(C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 40107245 WCHPDPOMFHCITE-OAHLLOKOSA-N 427.471 1.549 0 40 IDAB CCOC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CN1CCN(CC)C(=O)C1=O 58009275 SAKONPMKXQQRDN-UHFFFAOYSA-N 443.422 1.288 0 40 IDAB COc1ccccc1-n1c(O)nc2nc(N3CCN(c4ccccn4)CC3)ncc2c1=O 67264319 PAYIMGHMSRBHCG-UHFFFAOYSA-N 431.456 1.612 0 40 IDAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)cc1 72296591 IOHRIFGSWKKCCY-FQEVSTJZSA-N 435.521 1.602 0 40 IDAB CCN1CCN(c2ccc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cn2)CC1 84789399 IWPYIAIVWWMPBW-WFXMLNOXSA-N 446.621 1.566 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)CC1 96104150 ZDMUFDPMMGDQKX-JJTKIYQPSA-N 440.587 1.654 0 40 IDAB COCCN1[C@H]2CCN(C(=O)c3cnccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145815 HYPDFHBWNKIGKV-IRXDYDNUSA-N 432.502 1.180 0 40 IDAB Cc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)C2=O)cc1C 101312736 PDSIEGCFRMBVEG-UGKGYDQZSA-N 449.507 1.920 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 102868313 IXVNDXKDVOKAKG-CALCHBBNSA-N 433.530 1.391 0 40 IDAB COCCNS(=O)(=O)Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)c1 223236109 AKTCCRSSYXJNNJ-CQSZACIVSA-N 436.486 1.887 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225761079 SMCVPVYAVQDPOP-UHFFFAOYSA-N 449.510 1.564 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCN(C[C@@H]4CC=CCC4)C3)nc(O)c2C1 257225791 FHVUGNNLWAADPR-IAGOWNOFSA-N 435.594 1.882 0 40 IDAB Cn1ccc(C(=O)N2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)n1 306140657 UZUYMXJZFHBMCF-PGRDOPGGSA-N 437.525 1.914 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 408621901 PYHONTLEAXVBQI-UHFFFAOYSA-N 449.529 1.866 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2cccc(C(F)(F)F)c2)C1 585290274 PWILZHWEJBMXKF-MSOLQXFVSA-N 430.448 1.592 0 40 IDAB COCCNc1nc(CC(=O)N[C@H](c2ccc(Cl)c(F)c2)c2nn[nH]n2)cs1 1633626400 LMSNSWCBTDJFBD-CQSZACIVSA-N 425.877 1.955 0 40 IDAB COc1cnc(OC2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)nc1 1889201601 BOZFOXIAYFZPFU-ZDUSSCGKSA-N 443.529 1.638 0 40 IDAB COC(=O)CC[C@@H](C(=O)CN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 1707512 CKRBQGWUDDRHNS-KRWDZBQOSA-N 434.404 1.470 0 40 IDAB COc1ccc(NC(=O)CNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 2139675 YZQQLTKAYSDCTD-FSNPWBFUSA-N 436.461 1.146 0 40 IDAB biogenic O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ncccn2)CC1 2975389 CPBNVANEMTWRNA-UHFFFAOYSA-N 440.485 1.317 0 40 IDAB CC1(C)Cc2c(sc3c2c(=O)n(CCCO)c(=O)n3CC(=O)NCc2ccco2)CO1 9435417 BBBGXLOWDFUSHX-UHFFFAOYSA-N 447.513 1.368 0 40 IDAB O=C([C@@H]1CCCN1C(=O)c1cccs1)N1CCN(S(=O)(=O)c2cccs2)CC1 9713795 AWRHLASLYUSMRX-AWEZNQCLSA-N 439.584 1.947 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 12200429 NIGAPNVGUWXGJS-UHFFFAOYSA-N 446.437 1.714 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 13096108 QWYVVYIKPACTLR-UHFFFAOYSA-N 435.483 1.658 0 40 IDAB Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)CCC(=O)O)ccc12 13523034 NKEPCOOQNLGSLJ-HNNXBMFYSA-N 429.429 1.012 0 40 IDAB COCCNC(=O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(C)C 13750144 VITVVWZAEDSBOQ-IBGZPJMESA-N 439.578 1.299 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)O 15956510 CIKMDCQKPKFRRX-ODXCJYRJSA-N 432.473 1.829 0 40 IDAB biogenic CCOCCN(CC)c1nccc(CN2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)n1 19526598 VDAQGIKOXMMXCJ-UHFFFAOYSA-N 427.553 1.581 0 40 IDAB Cc1cc(=O)n(CCC(=O)N2Cc3cn(C)nc3[C@H](C(=O)NC3CC3)C2)c2ccccc12 19701442 LYCDHCBKJMBIES-LJQANCHMSA-N 433.512 1.838 0 40 IDAB COc1ccccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O 22383007 MYLJUILAXKPXIN-UHFFFAOYSA-N 441.531 1.350 0 40 IDAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c32)c1 22610501 HJWWMICIZQYCEM-CQSZACIVSA-N 438.488 1.153 0 40 IDAB CCCn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(SCC(N)=O)nnc12 23125569 STJGAGTXWLJOML-UHFFFAOYSA-N 428.518 1.704 0 40 IDAB O=C1C(=O)N(C2CCCC2)C(=O)N1CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 23701158 UPRLFKHODMMTLQ-XNTDXEJSSA-N 446.529 1.296 0 40 IDAB CCCNC(=O)CNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 25243323 IBNVTDQLKHDZBQ-UHFFFAOYSA-N 433.530 1.841 0 40 IDAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Br)c1 32090680 JVPXRFWQOVVKNR-KBPBESRZSA-N 432.340 1.899 0 40 IDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CCC(=O)NCc1ccc(N2CCOCC2)nc1 58063471 OMDSIGOGOKJMPI-UHFFFAOYSA-N 434.500 1.621 0 40 IDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)Nc4ccncc4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96262387 SBSLSWXHDSACQH-OXJNMPFZSA-N 435.550 1.113 0 40 IDAB CS(=O)(=O)c1ccc2c(c1)S[C](NC(=O)CCN1C(=O)c3ccccc3C1=O)N2 103112786 DWPZJNGDWMSABQ-UHFFFAOYSA-N 430.487 1.857 0 40 IDAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@H](c5ccco5)[C@@H]34)[C@@H]2C1=O 169683304 VEAZGPPZOQXRGA-XIOMKACZSA-N 432.479 1.587 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)CC[C@H]3CCCO3)nc2C1 247533945 PVZLAHXYMQDJPO-RHSMWYFYSA-N 438.550 1.513 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)CCn3c(C)nc4ccccc43)CC[C@@H]2O)CC1 257287242 PPDHFLHYCBVZGJ-VXKWHMMOSA-N 427.549 1.251 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCn3ccnc3)C2)c1 408597818 YMCXEXFQDDKPDC-MRXNPFEDSA-N 436.534 1.508 0 40 IDAB Cc1ccc(Cl)cc1S(=O)(=O)N([C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 575426623 XBCARADETODUPP-OKILXGFUSA-N 441.980 1.013 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]12 1102265 PNMGKNIZLDIVSS-XQTRSNPVSA-N 427.409 1.545 0 40 IDAB Cn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnc1C(F)(F)F 3358105 TVPDJONAOALHAO-UHFFFAOYSA-N 449.480 1.459 0 40 IDAB CCn1cc(C(=O)N[C@@H](C)C(=O)NCCCn2ccnc2)c(=O)c2cc3c(cc21)OCO3 9410877 ONVRNZPHUBKLAE-AWEZNQCLSA-N 439.472 1.271 0 40 IDAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccnn2Cc2cccs2)n(C)c1=O 9467801 SLZIRXVTTPAUHF-UHFFFAOYSA-N 427.490 1.159 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)NC(=O)N[C@@H]1C 9493649 YEGUUUQFBIRWDI-GDBMZVCRSA-N 429.473 1.139 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NC2CCCCCC2)cc1 9576386 LDHNECROQLGRHX-LJQANCHMSA-N 437.562 1.687 0 40 IDAB CCOC(=O)N1CCN(C(=O)COc2coc(CN3CCc4ccccc43)cc2=O)CC1 9716456 WDQMGNXKJTYYTO-UHFFFAOYSA-N 441.484 1.882 0 40 IDAB COC(=O)C1CCN(C(=O)c2cn(C)c3c(=O)n(-c4ccc(Cl)cc4)c(=O)[nH]c23)CC1 9820147 JSNTZXGHJHPHOT-UHFFFAOYSA-N 444.875 1.696 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N1 10231873 KADYKDWPMSIUME-QGZVFWFLSA-N 436.384 1.915 0 40 IDAB C[C@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cnccn4)CC3)n2)C1 12133525 CMFOUKCLDSHJIK-HNNXBMFYSA-N 444.561 1.926 0 40 IDAB COCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCc2ccccc2)cc1 12137718 QIYMGLRWOAYDDI-NRFANRHFSA-N 440.496 1.828 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2ccc(C)cc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 12406451 QHNUAZWNAPSBQV-CRSSMBPESA-N 437.445 1.030 0 40 IDAB O=C(CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1)N1CCCC1 12594353 MBIWFYIDTDXNSO-LJQANCHMSA-N 446.979 1.959 0 40 IDAB COc1ccc(C(=O)OCC(=O)N(C)Cc2ccsc2)cc1S(=O)(=O)N(C)C 13106040 LVLPOVYHKOTVIP-UHFFFAOYSA-N 426.516 1.822 0 40 IDAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)n1 13129595 GZYSJKBOLBVBTG-UHFFFAOYSA-N 428.470 1.932 0 40 IDAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1S(=O)(=O)N(C)C 15754643 LSAGFRJHSBZDOK-ZDUSSCGKSA-N 438.506 1.480 0 40 IDAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2NCCc2cccs2)cc1C 15885413 POMJDNSJDWHSKX-AEFFLSMTSA-N 429.585 1.837 0 40 IDAB CCOC(CNC(=O)c1cn(C)c2c(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]c12)OCC 17306872 NMSAWXKDQMKZPE-UHFFFAOYSA-N 434.880 1.800 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)n(C)c1 18396821 BVOZDIADCFTOFW-UHFFFAOYSA-N 434.518 1.946 0 40 IDAB COC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)C1 19076866 KYNUNUWZBYWGBH-JSGCOSHPSA-N 438.531 1.256 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c2=O)C1 19520461 KQKPOXCISKXOGG-SFHVURJKSA-N 448.520 1.984 0 40 IDAB CCS(=O)(=O)N1CCC(NC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)CC1 23130566 QGYSJTCFRVMJJE-UHFFFAOYSA-N 434.566 1.369 0 40 IDAB COC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)cc1 23820025 YXGYFRPEIXKUFO-QFIPXVFZSA-N 439.424 1.694 0 40 IDAB CCOc1ccc(N2C[C@@H](C(=O)NCc3cccc(NS(N)(=O)=O)c3)CC2=O)cc1 32754067 VBFNLPNTSNHTCQ-HNNXBMFYSA-N 432.502 1.370 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CCN(c2cccc(Cl)c2)CC1 35597415 MBUMRZHZWAENGH-UHFFFAOYSA-N 439.921 1.916 0 40 IDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)CC1 40108725 KBSXKCBNHZPDQW-UHFFFAOYSA-N 446.573 1.724 0 40 IDAB C[C@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 40121861 LAQZMVHVAWQQQC-CQSZACIVSA-N 435.531 1.589 0 40 IDAB O=C(c1nc(N2CCCC2)ncc1Cl)N1CCN(S(=O)(=O)c2cccnc2)CC1 40141960 QDLNWURXGZGIQD-UHFFFAOYSA-N 436.925 1.272 0 40 IDAB CC(=O)[C@H](C)n1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56896003 GJLRDFFGYYKMTC-ZDUSSCGKSA-N 444.923 1.549 0 40 IDAB COc1ccccc1N1CCN(CCNC(=O)C(=O)NCc2ccccc2Cl)CC1 56997907 YSXNGJQDWVACHF-UHFFFAOYSA-N 430.936 1.903 0 40 IDAB CCOC(=O)[C@@H](CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)Cc1ccccc1 60269964 NLRAQFXOUSQLMQ-MRXNPFEDSA-N 431.514 1.577 0 40 IDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102957622 XYSBCJWUHFEGMT-RTBURBONSA-N 440.500 1.773 0 40 IDAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)n2)c(OC)c1 222608479 JFZSWKNCPHVJLL-CYBMUJFWSA-N 438.506 1.384 0 40 IDAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)[C@H](C)CC 239306270 GQMGPKYVBVSMLI-BIVLZKPYSA-N 440.585 1.933 0 40 IDAB Cc1ccc2[nH]nc(C(=O)N3CCN(C)[C@@H](C(=O)NCCOc4cccc(F)c4)C3)c2c1 257286233 PKUWLXAUBMDTMM-HXUWFJFHSA-N 439.491 1.962 0 40 IDAB CC(CC(=O)N1CCN[C@H](c2cccnc2)C1)CC(=O)N1CCN[C@H](c2cccnc2)C1 505563859 BQBYLXFPOWYKRI-VXKWHMMOSA-N 436.560 1.539 0 40 IDAB COc1c2c(c(Br)c3c1[C@H](CC(=O)NCCN(C)C)N(C)CC3)OCO2 1547138686 PODFSDWRJKHRLC-LBPRGKRZSA-N 428.327 1.783 0 40 IDAB biogenic Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(COc2ccc3nccn3n2)CC1 1888906717 YGDUTLJAFAYONC-INIZCTEOSA-N 440.529 1.949 0 40 IDAB COc1ccccc1/C=c1\sc2nc(=O)c(Cc3ccc(OC)c(OC)c3)nn2c1=O 2261861 RMQCRVCUJIEZGL-UNOMPAQXSA-N 437.477 1.676 0 40 IDAB O=C(O)C1CCN([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 3668974 QHJWNKODQVEOGV-CYBMUJFWSA-N 428.226 1.720 0 40 IDAB Cn1c(=O)c2c(nc(NC3CCCCC3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 4038300 CBINJUNABZRPCH-INIZCTEOSA-N 427.505 1.618 0 40 IDAB CSCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H](CCSC)C(=O)O 5699489 DFSPWFNMFGQHRL-LSDHHAIUSA-N 434.605 1.550 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 8922658 SHVMVDOBPPUMFY-UHFFFAOYSA-N 433.574 1.690 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 10631957 NJZJPHWZCWDYHS-IAGOWNOFSA-N 445.447 1.107 0 40 IDAB C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 12086003 HKGZVATUYKMFGZ-SEPYTNNBSA-N 425.533 1.246 0 40 IDAB CN1C(=O)c2ccc(C(=O)N3CCN(Cc4nc(-c5ccsc5)no4)CC3)cc2C1=O 12740004 LXOPWQYRXRUSMP-UHFFFAOYSA-N 437.481 1.982 0 40 IDAB CNC(=O)[C@H]1CN(C(=O)CCc2c(C)nc3nc(SC)nn3c2C)c2ccccc2O1 12752994 XBHHAHYRTQBYTL-QGZVFWFLSA-N 440.529 1.936 0 40 IDAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 12819945 OEPKLDBXGFRPCJ-LFVRLGFBSA-N 437.452 1.865 0 40 IDAB CC(C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)O 12946023 MCFFHLINMWUGDL-QGZVFWFLSA-N 426.491 1.084 0 40 IDAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 13031929 RVLSUHNBUAAXKA-UHFFFAOYSA-N 442.541 1.757 0 40 IDAB Cc1csc(CC(=O)N2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)n1 14070444 WJKWXAKILFPRSR-UHFFFAOYSA-N 425.558 1.978 0 40 IDAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 14099803 LBOVEGSXZYILDZ-UHFFFAOYSA-N 441.619 1.993 0 40 IDAB CCCn1c(SCC(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)n[nH]c1=O 18523960 VWWVQRPVHVWADT-UHFFFAOYSA-N 446.577 1.419 0 40 IDAB COc1ccc(CN2CCC[C@H]2c2nc(O)c3c(n2)CN(S(C)(=O)=O)CC3)cc1OC 19561025 DPQHMAROIZVWSI-KRWDZBQOSA-N 448.545 1.854 0 40 IDAB COc1ccc(CN2CCc3c(O)nc([C@H]4CCN(S(=O)(=O)N(C)C)C4)nc3C2)cc1 19583651 YFNPVXJCRUDLKM-INIZCTEOSA-N 447.561 1.345 0 40 IDAB COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)N1CCCCCC1 19928858 IQLWIZPLWNAZFR-UHFFFAOYSA-N 425.551 1.322 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NNS(=O)(=O)c2ccc3c(c2)OCCO3)nc1 21363523 NQUSIDCXXMLBOZ-UHFFFAOYSA-N 442.519 1.189 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)N1CCCc2ccccc21 21760371 MYPHQUKRFLFPAD-UHFFFAOYSA-N 442.468 1.622 0 40 IDAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 22239311 JVDGIANBTLZBSZ-INIZCTEOSA-N 442.491 1.815 0 40 IDAB Cn1c(=O)c2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)cnc2n(C)c1=O 22766850 BBKPXZACOQMWRV-SFHVURJKSA-N 441.919 1.853 0 40 IDAB O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 23797695 KQTXKUFFRISJTE-PMACEKPBSA-N 437.452 1.287 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N3CCN(C(C)C)CC3)c2c1 25136617 VQXYTROULRNGPJ-UHFFFAOYSA-N 434.562 1.725 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 25857043 LLLZTLNRVDGSDO-FQEVSTJZSA-N 435.477 1.922 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4cccc(C)c4n3)CC2)cc1 32510621 DZNQOTXFGKOQCZ-UHFFFAOYSA-N 428.514 1.518 0 40 IDAB Cc1ccc(NC(=O)CN2CCN(C(=O)COCc3nc4ccccc4c(=O)[nH]3)CC2)cc1 32908274 KFACLZYSBDEDGT-UHFFFAOYSA-N 449.511 1.531 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2)CC1 35393017 BIRFJXWKQXZQLR-UHFFFAOYSA-N 444.557 1.712 0 40 IDAB CCOC(=O)C(NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C(=O)OCC 36395840 ULHDLOOTGZTKSS-NSHDSACASA-N 441.278 1.413 0 40 IDAB O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 40088913 TVOCDMYCYJWPCC-SFHVURJKSA-N 425.514 1.984 0 40 IDAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 58129761 MBKYGRPYTXISTM-HNNXBMFYSA-N 438.550 1.867 0 40 IDAB Cc1cc(C)n(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(NS(C)(=O)=O)c3)n2)n1 70655949 IXBAZQYJQLKCDQ-CQSZACIVSA-N 430.490 1.617 0 40 IDAB CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)[C@H](C)N3C(=O)NC(C)(C)C3=O)CC2)C1 72394350 IRWPZRFAKFIVSV-HNNXBMFYSA-N 442.516 1.508 0 40 IDAB O=C([C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3)CC2)O1)N1CCCCC1 96036813 OPHCWCGOKJAWKJ-LJQANCHMSA-N 444.557 1.974 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)cc1 408593428 NPHYGMIPELXPAJ-SFHVURJKSA-N 439.578 1.325 0 40 IDAB C[C@H](CN1CCOCC1)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 506276077 VEDLRPBUNBYTHN-QGZVFWFLSA-N 429.542 1.889 0 40 IDAB Cc1noc(C)c1C(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)[C@H]1CN(C)CCN12 1772595220 DAIGTZGNBCCQSU-HXUWFJFHSA-N 437.544 1.882 0 40 IDAB COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1 8297642 LMEHBIVBZPVUFM-NNWRFLSQSA-N 426.565 1.383 0 40 IDAB biogenic,in-vitro COCCNC(=O)c1ccc(Cn2c(SCC(N)=O)nc3ccccc3c2=O)cc1 8610154 OHJGYRHGMJFBOZ-UHFFFAOYSA-N 426.498 1.398 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1 8687802 UEOVVWZCOBTMJZ-UHFFFAOYSA-N 445.541 1.508 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1C 9389189 VFBDHBSMKZAYHD-HNNXBMFYSA-N 439.534 1.672 0 40 IDAB O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1nccs1 9476948 LDGVOTVUXIETNJ-UHFFFAOYSA-N 442.950 1.952 0 40 IDAB CN(C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 9504142 KMLIOWAMISSRKB-GOSISDBHSA-N 433.530 1.545 0 40 IDAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)CC1 10113897 USLFPOAHOMTMEX-UHFFFAOYSA-N 445.545 1.469 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 11559112 VOPFNTQDZNURQT-INIZCTEOSA-N 446.481 1.656 0 40 IDAB Cc1nnc(NC(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)s1 11758282 SQTCLLCWAQCHSB-UHFFFAOYSA-N 445.486 1.178 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2=O)cc1 12407719 NVUFUKWFEQNBDM-LJQANCHMSA-N 440.544 1.310 0 40 IDAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 13101966 NOJMZRMYKOKOJY-SFHVURJKSA-N 445.516 1.853 0 40 IDAB COc1ccc(/C=C/C(=O)NCCC(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 14169977 GAMLBSQVMALNGJ-FMIVXFBMSA-N 439.468 1.784 0 40 IDAB C[C@@H]1Sc2ccc(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2NC1=O 14729973 WATBMCZXJDNUDR-ZDUSSCGKSA-N 443.481 1.854 0 40 IDAB CN(C)S(=O)(=O)c1cc(C(=O)NCc2nnc3ccccn23)ccc1Br 19603879 SGWDZKWVFSLUPV-UHFFFAOYSA-N 438.307 1.672 0 40 IDAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CN(C(=O)Cn3cccnc3=O)CCO2)n1 19692719 KJJPQUCUVRKZGV-GOSISDBHSA-N 438.463 1.506 0 40 IDAB CC(=O)N1CCC(N2CCO[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)CC1 19696220 UFLFAFNEEQNYED-QGZVFWFLSA-N 432.546 1.403 0 40 IDAB CN(C)c1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@@H]2CCCN2)n1 19760361 UIJLEMZLNYAUBN-INIZCTEOSA-N 433.534 1.559 0 40 IDAB Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCCN2CC(=O)N2CCNC2=O)n1 19767242 ADODIBFZOPUOBY-LJQANCHMSA-N 436.516 1.794 0 40 IDAB O=C(NCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc(F)cc1 19830878 LRTIFMDBMAOFBZ-UHFFFAOYSA-N 432.883 1.992 0 40 IDAB COc1ccc(OC)c(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 20758497 TVKUUVFZYVNBMY-GOSISDBHSA-N 425.445 1.994 0 40 IDAB biogenic CCN1C(=O)C[C@H](N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4CC)CC2)C1=O 25059172 LVTXFKKAGYPRHE-SFHVURJKSA-N 444.463 1.128 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cn4ccnc4)c3)c2)CCN1 25179760 JFRHPKJNDVREII-UHFFFAOYSA-N 439.497 1.304 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ncccn4)CC3)C2)s1 27801670 BYBHOQVDSDCZBQ-MRXNPFEDSA-N 435.575 1.596 0 40 IDAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)NCCO 34857900 CZSLSUQPOMCDKB-UHFFFAOYSA-N 429.292 1.737 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCC[C@H](c2nnc3ccccn23)C1 40050308 PVXWSHZOLDJZKN-BXKMTCNYSA-N 444.495 1.829 0 40 IDAB COc1cc(C(=O)NCCC(=O)N[C@H](Cc2ccccc2)C(=O)O)cc(OC)c1OC 46086243 DBRLCIGSAPFICM-MRXNPFEDSA-N 430.457 1.644 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c1 48290569 JPXFWCGJIQJRJZ-GOSISDBHSA-N 430.592 1.204 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(C)cc2)cc1 54306927 PQLQNMHHFGEQRB-PMACEKPBSA-N 436.555 1.683 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)nc2)cc1 77261888 RHMZLUQLHMGYTQ-MUIFIZLQSA-N 432.420 1.665 0 40 IDAB biogenic,in-vitro COc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@@H]24)O3)cc(OC)c1OC 85420753 DBJBXZBUIBMHFA-PLKIMXQSSA-N 441.440 1.934 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1 220009325 RPJOQUXPHNRCGH-UHFFFAOYSA-N 442.585 1.894 0 40 IDAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC(n4c(=O)oc5ccccc54)CC2)[C@@H]3C1=O 248169323 QYNHFIMZDFWEGO-DBYOASNMSA-N 437.496 1.948 0 40 IDAB C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 260913021 ZOKCFVGJTJVWJF-ZBFHGGJFSA-N 448.497 1.569 0 40 IDAB CN1C[C@@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)Cc3ccco3)CC2)C1 306133019 LZDBRPCGOBECDR-FQEVSTJZSA-N 429.492 1.969 0 40 IDAB COc1ccc(N2C(=O)N[C@@H](CC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)C2=O)cc1 524732112 XVKQDGKHTCBIAM-PDWMJMLSSA-N 440.500 1.370 0 40 IDAB biogenic O=S1(=O)C[C@@H](O)[C@@H](N(c2cccc(O)c2)S(=O)(=O)c2cccc3cccnc23)C1 575426038 LFCCSZVGFSNALC-DLBZAZTESA-N 434.495 1.294 0 40 IDAB CC[C@H](C)[C@H](NC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O)C(N)=O 604405927 XDAHCMQFGLPHPM-KLRAXDNASA-N 432.473 1.906 0 40 IDAB biogenic O=C1[C@@H]2C3C=CC([C@H]2C(=O)N1Cc1cccnc1)[C@H]1C(=O)N(Cc2cccnc2)C(=O)[C@H]31 8450418 OROWPZZWTYLNEV-CVUDOADXSA-N 428.448 1.195 0 40 IDAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1ccccc1 9304400 GNXSDTZKJJOENM-HKUYNNGSSA-N 429.542 1.908 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CNC(=O)c1cccs1 9466175 MGKGMRXKYSCWNM-UHFFFAOYSA-N 439.515 1.219 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3cccnc3)CC2=O)cc1 9469591 BKQOLBMNYFASEQ-QGZVFWFLSA-N 430.530 1.781 0 40 IDAB COc1ccccc1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 9576474 GKTWRBPWQZBPLV-INIZCTEOSA-N 425.441 1.941 0 40 IDAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)NCCc1c[nH]c2ccccc12 9672690 PREAZJNQAQYTBX-QHCPKHFHSA-N 448.523 1.953 0 40 IDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccccc3OC)c(=O)n12 9971325 MHXSAMJHOWGLLP-OEFTZYIISA-N 436.489 1.868 0 40 IDAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cn1 9986739 HYYTZWXBJGVCBL-UHFFFAOYSA-N 446.529 1.964 0 40 IDAB Nc1c(N(CCO)Cc2cccc(Br)c2)c(=O)[nH]c(=O)n1Cc1ccccc1 12987390 MSOOAFSNKAAICJ-UHFFFAOYSA-N 445.317 1.929 0 40 IDAB CCOC(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 13056378 KRLMOSFSQRXPJL-UHFFFAOYSA-N 438.550 1.574 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC2(c3ccccc3)CC2)cc1C 14094578 SQCCRHUCDFGGSM-UHFFFAOYSA-N 429.542 1.546 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC 15270313 FCNUCUQVUIZKLH-UHFFFAOYSA-N 441.531 1.625 0 40 IDAB COCC(=O)N1CCc2nc3cc([C@H]4CCCN(C(=O)C(C)(C)C)C4)nn3c(O)c2C1 19081251 FIQSJKVFOVBIAL-AWEZNQCLSA-N 429.521 1.718 0 40 IDAB Cc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)s1 19560144 OMKYIMRXEKMBNN-UHFFFAOYSA-N 446.558 1.702 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)Cn3ccnc3C(C)C)C1)C2=O 19700744 ISXDEAFMORCNRO-KRWDZBQOSA-N 430.553 1.404 0 40 IDAB CN1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)CN3CCCCCC3=O)nc2)CC1 19708737 XAWXYWPNMGCRFX-FQEVSTJZSA-N 427.549 1.535 0 40 IDAB CC(C)CNC(=S)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 19940469 PVCBYEABZGDHAE-UHFFFAOYSA-N 446.573 1.922 0 40 IDAB COc1ccc(CC(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3CCC[C@H]3C(N)=O)C2)cc1 20463001 IRCKFTOCRBEXGO-BJLQDIEVSA-N 431.533 1.517 0 40 IDAB biogenic,in-vitro CCOc1c(Br)cc([C@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 20851378 NQHFAXXTKCKKRE-SNVBAGLBSA-N 438.278 1.728 0 40 IDAB COc1ccccc1N1C(=O)C[C@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 21817741 SGQPUDPDOMLLPG-KRWDZBQOSA-N 447.488 1.473 0 40 IDAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 21847834 AJEFRKXBPKDVAQ-OAHLLOKOSA-N 446.529 1.208 0 40 IDAB Cc1ccc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1C 22379689 ZRJZHEUCHKGVMA-UHFFFAOYSA-N 439.559 1.958 0 40 IDAB Cc1cc(CN2CCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)no1 22800876 FGHBVFJNLHNOKK-UHFFFAOYSA-N 447.561 1.524 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2csc(S(N)(=O)=O)c2)c1 24751079 FGNWJHQUXJXQPB-UHFFFAOYSA-N 447.560 1.687 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)CN1CCc3cc(S(N)(=O)=O)ccc31)CC2 27551274 BUTOKWBKMMXEKI-UHFFFAOYSA-N 431.514 1.299 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCc1cccnc1N(C)C 32685821 ILVOBXYMBHGUHH-IBGZPJMESA-N 448.545 1.538 0 40 IDAB O=C(CN1CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1)NCc1ccccc1 32932835 KRRJXWYZFLSLLW-UHFFFAOYSA-N 446.573 1.498 0 40 IDAB COc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)c(OC)c1 44900792 BRGKKSOUQSQCTI-UHFFFAOYSA-N 444.513 1.972 0 40 IDAB CCN(CC)S(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 84773503 OEFDDADVOLOWTF-UHFFFAOYSA-N 446.576 1.345 0 40 IDAB CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)CC1 96343974 IXMNWPVGRNGLLP-LBPRGKRZSA-N 434.294 1.369 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)OC)c4sc(=O)[nH]c4S[C@H]3C2=O)cc1 102916352 OGHTWSBACFWVHF-NQBHXWOUSA-N 448.478 1.534 0 40 IDAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3CCC(F)(F)CC3)C2)C(=O)N1Cc1ccccc1F 225391350 DCUDTJDRGGRNCR-AEFFLSMTSA-N 437.462 1.762 0 40 IDAB biogenic,in-vitro NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc(N2CCOCC2)cc1 257270949 MWGZBPVYBJHOEF-QFIPXVFZSA-N 437.544 1.133 0 40 IDAB CC(C)c1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257286448 PLPRNIJJZDDPOW-TXTKFYIRSA-N 441.576 1.722 0 40 IDAB O=C(NCc1ccccn1)c1cn2c(nc1=O)[C@]1(CCN(C(=O)c3ccccc3)C1)CC2 306141243 VPKZOLVLFLBTGO-DEOSSOPVSA-N 429.480 1.756 0 40 IDAB CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 588701872 KPTJMUGDVPJTOK-LJQANCHMSA-N 436.578 1.175 0 40 IDAB O=C(Cc1nnc(O)c2ccccc12)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 602514153 OTJFYGRDLXBOQB-INIZCTEOSA-N 449.515 1.290 0 40 IDAB O=C(NC1CCN(c2ncccn2)CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 642589109 BIUMCRZSRBDOML-LJQANCHMSA-N 429.546 1.805 0 40 IDAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccc(F)cc1 1873270 DNHVPMCSWWUSHB-LJQANCHMSA-N 448.332 1.805 0 40 IDAB CCN(C(=O)CN1c2ccccc2C[C@@H]1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 2662072 SCTGLDJHFROAGX-INIZCTEOSA-N 433.512 1.971 0 40 IDAB Cc1ccc(NC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 3273498 QTYKTRAQRAOLJM-UHFFFAOYSA-N 436.461 1.951 0 40 IDAB COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1 8297667 LMEHBIVBZPVUFM-FCEUIQTBSA-N 426.565 1.383 0 40 IDAB biogenic,in-vitro CC(C)C[C@@H](C(=O)NCC(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8789898 RPGJWOKKMHWDTL-AOMKIAJQSA-N 426.473 1.819 0 40 IDAB biogenic O=C(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H]1CCS(=O)(=O)C1 9390418 JSLZGCCVZFABGE-LBPRGKRZSA-N 445.906 1.329 0 40 IDAB COc1ccc(NCCN2N=C(C)[C@@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1Cl 10108891 QZCVWHLTXUTKNJ-GFCCVEGCSA-N 445.911 1.965 0 40 IDAB Cn1c(=O)n(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21 10823408 RQAITMRLSONFEF-UHFFFAOYSA-N 428.514 1.263 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O 12602862 KCRIZVUEXFJIDF-XMMPIXPASA-N 447.495 1.960 0 40 IDAB COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 13670704 WCCLZDZXJZVKBK-UHFFFAOYSA-N 435.546 1.885 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(C)cc(C)c2)n(C)c1=O 13776695 RYOURFHFWKVPNV-OAHLLOKOSA-N 425.489 1.864 0 40 IDAB CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 14920452 ORBYXDXVSWDBFV-HNNXBMFYSA-N 444.294 1.927 0 40 IDAB Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 14943737 PNGDGHUKTBXEDB-FQEVSTJZSA-N 430.530 1.897 0 40 IDAB O=C(CCn1cnc2ccccc2c1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 16468779 DPPCEYDCELANNE-UHFFFAOYSA-N 444.488 1.459 0 40 IDAB COc1ccc(CCNC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)cc1OC 16850935 DYZLXQDGBXXAAL-HNNXBMFYSA-N 433.530 1.721 0 40 IDAB Cc1ccccc1C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c1ccccc1C 18969464 NCWMTOLZBPSHPC-UHFFFAOYSA-N 426.469 1.940 0 40 IDAB Cc1c(S(=O)(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)cnn1C 19553933 YMEJVIXHIDRRHW-QGZVFWFLSA-N 434.566 1.907 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2C(=O)CN2CCCC2=O)n1 19690035 GIBFYSRMYKCNIP-SFHVURJKSA-N 436.516 1.594 0 40 IDAB CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@H]2CCCN2C)n1 19759934 HOEFTYLAKRONPB-MRXNPFEDSA-N 433.534 1.877 0 40 IDAB Cc1nc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)ncc1C(=O)N1CCCCC1 19763321 UCKCZJCXOVYQCS-INIZCTEOSA-N 432.550 1.713 0 40 IDAB O=C1C[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 21817317 RKVSOILKCNMCED-SFHVURJKSA-N 433.917 1.978 0 40 IDAB Cc1ccccc1-n1ccnc1SCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22738786 GDCIFVNJUTZQIA-QGZVFWFLSA-N 434.587 1.604 0 40 IDAB CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)c1 23662528 AHWOOVKSLAPTEM-UHFFFAOYSA-N 439.520 1.921 0 40 IDAB COC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 23818170 QVXAZYRCIWQOBP-OAQYLSRUSA-N 431.395 1.835 0 40 IDAB CC(C)Cn1c(N)c(C(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 24770072 SLRCEJPUABCDFA-UHFFFAOYSA-N 441.406 1.773 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2ccccc2S(C)(=O)=O)cc1 25104907 WMJQHKKDGVUGNP-UHFFFAOYSA-N 427.500 1.576 0 40 IDAB COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 25223351 BPYYJUSFUZLVHV-MYYSRTQBSA-N 449.463 1.436 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OCc2nc3ccccc3c(=O)[nH]2)CC1 32835965 SLFTULIJSQHSEZ-UHFFFAOYSA-N 446.485 1.672 0 40 IDAB CC(C)CN1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 32863572 LXFAXVNHTOJHOG-GOSISDBHSA-N 442.557 1.198 0 40 IDAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CC[C@H]2NC(=O)NC2=O)c1 33023759 YOCWDOYFYKPVSS-OAHLLOKOSA-N 432.458 1.423 0 40 IDAB CCOC(=O)c1ccsc1NC(=S)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 35048179 SZYRWGVYDJFURP-IOQCUFBNSA-N 433.511 1.545 0 40 IDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 71328779 SYRGENFKTNXVMH-GOSISDBHSA-N 445.564 1.986 0 40 IDAB Cc1cc(C)n2nc(CCCOC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)nc2n1 97159658 WARUIXUUULAOHA-RVKKMQEKSA-N 432.550 1.943 0 40 IDAB CCc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 104894959 IXZCXJMSZZSVSJ-SFHVURJKSA-N 430.592 1.149 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)C[C@H](C)O1 109023760 DONFSMQVLUPKAD-HRCADAONSA-N 428.530 1.124 0 40 IDAB COC(=O)CSc1nnc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)s1 225808354 LZRQJLDPYZPZJZ-UHFFFAOYSA-N 438.538 1.050 0 40 IDAB CN(CC(=O)N1CC[C@H](c2cc(O)n3nc(C(C)(C)C)cc3n2)C1)[C@H]1CCS(=O)(=O)C1 247972289 HVMRCDUMECBZTM-GJZGRUSLSA-N 449.577 1.167 0 40 IDAB COC(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc(C(=O)OC)c1 408585000 XMFLNUKAKYIUSU-ZDUSSCGKSA-N 434.470 1.874 0 40 IDAB NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 409204249 DEBAICKPYQUZRQ-UHFFFAOYSA-N 431.514 1.268 0 40 IDAB Cc1nc(N2CCN(CC(=O)N3CCN(c4ccccc4)CC3)CC2)cc(-n2cccn2)n1 1889250144 JAFKRBCWILNUDS-UHFFFAOYSA-N 446.559 1.442 0 40 IDAB C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C1 1330327 AOSVFWFDJSPUNI-INIZCTEOSA-N 444.575 1.635 0 40 IDAB Cc1cc(OCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c2c3c(c(=O)oc2c1)CCC3 2112482 OSTSSHAHCYVZSY-FQEVSTJZSA-N 430.457 1.311 0 40 IDAB biogenic COc1cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)ccc1OCC(=O)Nc1ccc(F)cc1 3365042 HQKOFBFLCUXFMW-NSHDSACASA-N 433.392 1.592 0 40 IDAB COCCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NS(=O)(=O)c3ccccc3)c(=O)n1C2 3841341 TZIUBBCMXQQBAF-JKSUJKDBSA-N 431.514 1.631 0 40 IDAB biogenic,in-vitro CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(C)cc1C 6549447 SNSYWTDXYZISJL-HSALFYBXSA-N 437.445 1.600 0 40 IDAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)N[C@@H](C)C(=O)O)C(=O)[C@]31C 8789706 GMQOHLUOROULGX-HJTOQOCKSA-N 428.445 1.190 0 40 IDAB biogenic C[C@H](OC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)NC(N)=O 9128080 MOISFOHIXXWXFP-NSHDSACASA-N 445.453 1.886 0 40 IDAB O=C(NC[C@H]1COc2ccccc2O1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9568813 OKMPPGPBZIGTBX-ZBFHGGJFSA-N 425.441 1.702 0 40 IDAB COc1cc(OC)c2c(C)c(CC(=O)N3CCC[C@H](C(=O)NCC(=O)O)C3)c(=O)oc2c1 9575233 NTNWKYMHULZCRK-ZDUSSCGKSA-N 446.456 1.101 0 40 IDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 10219886 PRRNFCIBYCAHEW-CYBMUJFWSA-N 438.893 1.188 0 40 IDAB CC(=O)COc1cc(S(=O)(=O)N2CCCC2)ccc1N1CC(=O)N(CC(C)C)C1=O 12322491 RRVZZQCNEOSAGN-UHFFFAOYSA-N 437.518 1.864 0 40 IDAB Cn1c(=O)n(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c2ccccc21 12780404 DFGNTCPLJWYHPC-UHFFFAOYSA-N 446.504 1.402 0 40 IDAB Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)cc1 13451870 JESAKGFQNKXLOS-UFDDZYLRSA-N 434.489 1.835 0 40 IDAB biogenic O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 13513698 BRHZFBCYVFFKCA-AWEZNQCLSA-N 430.465 1.841 0 40 IDAB CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cn2)cc1 13809428 GGAXPWQXLAYNER-UHFFFAOYSA-N 428.470 1.595 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 15221165 FYFIIDCBJJFOGQ-CQSZACIVSA-N 434.470 1.250 0 40 IDAB CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)cc1 17968728 XPDCXWOPEBGMSY-UHFFFAOYSA-N 449.529 1.859 0 40 IDAB C[C@H](C(=O)N1CC[C@H](c2nc(O)c3c(n2)CN(C(=O)C2CCC2)CC3)C1)N1CCCC1=O 19077702 HATHACQBBNNPTH-ZBFHGGJFSA-N 441.532 1.194 0 40 IDAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 19077839 IMOAGBOOYWJWLU-CYBMUJFWSA-N 425.441 1.850 0 40 IDAB CS(=O)(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699964 UUMHIYTWBNEHBB-GOSISDBHSA-N 434.562 1.040 0 40 IDAB COc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1C(=O)N1CCCCC1 22933896 FUSGEJWMUIITOJ-UHFFFAOYSA-N 438.594 1.237 0 40 IDAB CN1CCN(CCNC(=O)CN2N=C(C(C)(C)C)Cn3c(cc4ccccc43)C2=O)CC1 23092943 JPAGKYWDQYFDGO-UHFFFAOYSA-N 438.576 1.863 0 40 IDAB O=S1(=O)CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 28248996 PGUANWUZORGPKK-MRVPVSSYSA-N 433.143 1.677 0 40 IDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2csc(Cc3ccccc3)n2)C[C@@H](C)O1 29186649 BVURFIBXNOIHBK-HZPDHXFCSA-N 437.587 1.832 0 40 IDAB CCn1nc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O 32910530 SWMPFSJDNXGYSB-UHFFFAOYSA-N 438.440 1.151 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCCN2CCOCC2)cc1Cl 39986576 FLWIMFBJSOSHCC-UHFFFAOYSA-N 447.985 1.588 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 58420238 XRNVDAYDBFUKLX-UHFFFAOYSA-N 437.924 1.720 0 40 IDAB CS(=O)(=O)Nc1cccc(NC(=O)Cc2csc(NC(=O)c3ncccn3)n2)c1 61969167 CZBXLUYFQVVABC-UHFFFAOYSA-N 432.487 1.738 0 40 IDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21)Nc1cccc(F)c1 95481498 QBYBDDBHNXSDPH-ROUUACIJSA-N 425.376 1.529 0 40 IDAB CC(C)NC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCCc1ccncc1)Cn1ccnc12 96263232 KVUCQDFBSXGZDO-GOSISDBHSA-N 426.521 1.445 0 40 IDAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(O)(c2cnc(OC)nc2OC)C3)cc1 100143355 FFPKWYFFJIJVET-KBPBESRZSA-N 435.502 1.706 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)c2ccccc2)cc1 100816186 IRTYHZGKZKTGSX-CMKODMSKSA-N 427.526 1.686 0 40 IDAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3cc(-c4ccccc4F)n[nH]3)[C@H]2O)CC1 257227394 FPBSWJWQNFXDHK-NJDAHSKKSA-N 429.496 1.344 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)COc3ccccc3C(C)(C)C)CC[C@@H]2O)CC1 585267240 MOTXIQYYAZTOTD-SFTDATJTSA-N 431.577 1.879 0 40 IDAB O=C(COc1ccccc1O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 2457767 DCNCVBZKIXXNAG-UHFFFAOYSA-N 434.470 1.075 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 3355158 NHDYICHERHHVOE-MRXNPFEDSA-N 435.933 1.695 0 40 IDAB CCn1c(SCC(=O)Nc2c(F)cccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 6198413 OFGVXVMCVGNZHO-UHFFFAOYSA-N 425.873 1.977 0 40 IDAB O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 8694645 CMJPNKJXQFUWPL-WBVHZDCISA-N 447.582 1.956 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(OC)cc4)c(C)c(C)n23)n(C)c1=O 8709848 QVSFCQCWBFGZIA-UHFFFAOYSA-N 425.445 1.327 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1C 9389253 VFBDHBSMKZAYHD-OAHLLOKOSA-N 439.534 1.672 0 40 IDAB CCCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 9426254 HEQTYXGTZHVIOU-QLDGJZPUSA-N 429.425 1.741 0 40 IDAB Cc1sc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)nc1-c1ccc(F)c(F)c1 9468577 BIWBOQFMJAQLGH-UHFFFAOYSA-N 446.439 1.783 0 40 IDAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 9533046 RTPLLNQKVUCHJI-UHFFFAOYSA-N 438.517 1.298 0 40 IDAB CCCCN(C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 9585141 UZEFBNYGNGWMQU-JTSKRJEESA-N 447.557 1.586 0 40 IDAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9660405 NSMPHXOEDNOHSZ-UHFFFAOYSA-N 442.501 1.255 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 10022220 KVHYORAFAOUPAF-JLHYYAGUSA-N 428.466 1.725 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)C1 12085710 ZWQKHVXZCWVNRM-HJPURHCSSA-N 443.500 1.319 0 40 IDAB C[C@H](Oc1ccccc1)C(=O)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1 12163907 BWYBHGFRYFBPCI-SFHVURJKSA-N 432.546 1.507 0 40 IDAB CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 12507957 JJXHSARXACMQJS-UHFFFAOYSA-N 432.545 1.531 0 40 IDAB CCOC(=O)C1=C(COC(=O)c2nc3nccc(C)n3n2)NC(=O)N[C@@H]1c1ccccc1 12859068 JKADQOAAKDTKEL-MRXNPFEDSA-N 436.428 1.461 0 40 IDAB NC(=O)c1c(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)sc2c1CCCC2 13147791 PISPYKMBVNZZID-UHFFFAOYSA-N 440.481 1.618 0 40 IDAB CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)c2ccc(C)nc21 14161326 UCGQYEHBOMIWDY-UHFFFAOYSA-N 440.525 1.872 0 40 IDAB C[C@H]1Sc2ccc(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2NC1=O 14729974 WATBMCZXJDNUDR-CYBMUJFWSA-N 443.481 1.854 0 40 IDAB Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H](NCCCN1CCCC1=O)C2 14733535 YJUVUUPYIUNCRS-SFHVURJKSA-N 427.524 1.949 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccccc1OC 18156323 SJESSGVYNYILGY-PMACEKPBSA-N 437.500 1.619 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@H](C)C(=O)NCc3cccnc3)CC1)O2 19219042 QSVQCLPTVUSALU-OSPHWJPCSA-N 436.512 1.968 0 40 IDAB Cc1ccc2cc(C(=O)N[C@H](C)C(=O)N3CCC[C@@H](C(=O)CS(C)(=O)=O)C3)[nH]c2c1 19221818 RILCXGDIDMSJQF-GDBMZVCRSA-N 433.530 1.447 0 40 IDAB CN(CC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1)C(=O)c1ccco1 19585891 GAYJGEGQVCTYGP-UHFFFAOYSA-N 425.441 1.804 0 40 IDAB CCOC(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 20354928 MIYPNWYMJVMAAV-UHFFFAOYSA-N 440.504 1.054 0 40 IDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1ccc2c(c1)OC(F)(F)O2 21385663 WTTHFHNTLJGANI-UHFFFAOYSA-N 427.429 1.987 0 40 IDAB C[C@@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 22228299 MIOOMWZPKVGAPD-MRXNPFEDSA-N 431.514 1.201 0 40 IDAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c21 22610470 BORMAVUIEBEBMO-CQSZACIVSA-N 438.488 1.099 0 40 IDAB COc1ccc([C@@H](CC(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)NC(C)=O)cc1 23059182 UUEYYBZPOMJNGR-GOSISDBHSA-N 449.467 1.901 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c2ccccc21 24777617 KWVUDVNUIONBPA-UHFFFAOYSA-N 432.488 1.147 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3nnc(-c4ccco4)n3)CC2)c1 32788725 NICIWAISDJSVQL-UHFFFAOYSA-N 430.490 1.083 0 40 IDAB CC(C)N(CCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)C(C)C 32928294 OISUTVDRKCFMPW-LJQANCHMSA-N 441.594 1.951 0 40 IDAB COC(=O)CN(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@H]1CCS(=O)(=O)C1 40155499 VQSYAHTYPBPNNI-VIFPVBQESA-N 435.285 1.209 0 40 IDAB CC(C)CNC(=O)c1nsc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1N 67334979 JPHAJWLUESCLSH-UHFFFAOYSA-N 445.545 1.798 0 40 IDAB C[C@H]1C[S@@](=O)CCN1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 72308400 FGTZRRPWEONOOD-PGGUUEOZSA-N 448.010 1.906 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)C1 72325965 PVJBBSSEYOFUED-QMHKHESXSA-N 442.516 1.352 0 40 IDAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1nnc([C@@H]2CCCO2)s1 72401946 HOUYPXNUIGVSSU-AWEZNQCLSA-N 438.531 1.909 0 40 IDAB O=C(COc1coc(CN2CCOCC2)cc1=O)N1CCN(c2ccc(Cl)cc2)CC1 79483187 DVYOYNZYYPUWFU-UHFFFAOYSA-N 447.919 1.853 0 40 IDAB CC1(C)O[C@@H]2[C@@H](CN3C(=O)c4ccccc4C3=O)O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O1 82049652 NCKOCYFGFYXGQG-FNSSNTJLSA-N 436.428 1.122 0 40 IDAB CCCC[C@H](C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)N1CCCS1(=O)=O 89950186 ZOMOMWMEQUKBAK-RTBURBONSA-N 442.626 1.126 0 40 IDAB C[C@H](C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)S(=O)(=O)C1CCOCC1 95419531 FAKFZSVDEJFFGA-MRXNPFEDSA-N 437.562 1.188 0 40 IDAB CO[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccsc1 96097482 VFWHJWFVCZPNRR-QGZVFWFLSA-N 437.543 1.903 0 40 IDAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CSc2nc3ccccc3s2)CC1 96104213 JKHPJUSTXMJXEW-UHFFFAOYSA-N 437.572 1.982 0 40 IDAB CN1CCN(CCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)C1 195528719 BARKDVHMEYZLPF-HXUWFJFHSA-N 438.528 1.640 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccccc2)cc1C 219141510 GCQCSUGPWFFQJF-UHFFFAOYSA-N 447.557 1.647 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225427780 XFMQZVWCVLTFHT-CYBMUJFWSA-N 433.461 1.134 0 40 IDAB CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 245229606 BSGYUIALRLVCSU-ZJTKBAOVSA-N 437.540 1.921 0 40 IDAB CCn1ccc(C(=O)N2CCC[C@H](CC(=O)N3CCN(CCc4ccccn4)CC3)C2)n1 257339011 YZVOXWISYZQRDP-HXUWFJFHSA-N 438.576 1.927 0 40 IDAB CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 408601017 DMNVPHHUZZSKLZ-UHFFFAOYSA-N 434.942 1.671 0 40 IDAB CN(c1cccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1)S(C)(=O)=O 409128533 FKBYPXINDAHKNP-UHFFFAOYSA-N 429.495 1.626 0 40 IDAB COc1cc([C@H](CC(=O)NCCN2CCCC2=O)c2oc(C)cc(=O)c2O)ccc1O 524731531 BBVPYKDGHMKHNP-HNNXBMFYSA-N 430.457 1.629 0 40 IDAB biogenic Cn1c(C(F)(F)F)nn(C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)c1=O 575615281 NGLUSCSZSOGWBX-UHFFFAOYSA-N 441.410 1.647 0 40 IDAB COCC(=O)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)c1ccc(C(F)(F)F)cc1)C2 604381938 VZOOGBFJDVLZGB-MRXNPFEDSA-N 427.423 1.089 0 40 IDAB biogenic,in-vitro COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888930694 UKWAALRAGQFBPR-BETUJISGSA-N 434.909 1.543 0 40 IDAB C[C@H](Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1 658355 YKGBCXHAMZKLCI-HNNXBMFYSA-N 430.534 1.664 0 40 IDAB COC(=O)c1c(N)n(CCc2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 2327425 HWEBVUWASFIABV-UHFFFAOYSA-N 425.470 1.843 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N1C[C@H](C)O[C@@H](C)C1 3295238 RSCFGAWJUQOZQF-GJZGRUSLSA-N 441.575 1.140 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N(C)c1ccccc1 3361223 WHDAVRAATZQQMG-UHFFFAOYSA-N 432.498 1.836 0 40 IDAB C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc(Cl)cc1 8853049 HLNVRHRMVBOCHR-RISCZKNCSA-N 441.893 1.376 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 9126183 ATNRCEHKAMMUMZ-UHFFFAOYSA-N 426.472 1.474 0 40 IDAB COc1cccc([C@@]2(C)NC(=O)N(NC(=S)NCc3ccc4c(c3)OCO4)C2=O)c1 9315440 IGSOOKSNIGYOBX-HXUWFJFHSA-N 428.470 1.770 0 40 IDAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1nccs1 9340266 NCORIYQIDPKUNW-CYBMUJFWSA-N 440.522 1.828 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cnc2n(c1=O)CCS2 9391809 GZMFWTCGHSHNAH-UHFFFAOYSA-N 430.471 1.192 0 40 IDAB O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9420347 GQBUIVRKZRCAFU-HXUWFJFHSA-N 449.463 1.184 0 40 IDAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)NC(=O)Nc1ccc2c(c1)OCO2 9647916 SHYGSIGMXMCPED-UHFFFAOYSA-N 444.425 1.158 0 40 IDAB C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)N1CCNC1=O 9949519 ARMCDLGCZBYRPV-CYBMUJFWSA-N 446.485 1.611 0 40 IDAB CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)ccc12 11866788 PBAIRUYFAXCEPT-HNNXBMFYSA-N 433.461 1.451 0 40 IDAB biogenic COC(=O)[C@@H](CSCc1ccccc1)NC(=O)COC(=O)CNC(=O)c1ccccc1 12417329 DXBQIZQZYVXZOD-GOSISDBHSA-N 444.509 1.551 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 12506957 NZGYHQSGNMKECM-CQSZACIVSA-N 431.518 1.633 0 40 IDAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(Cc2ccncc2)CC1 12553918 PWKUORFTFPRYLU-UHFFFAOYSA-N 428.558 1.827 0 40 IDAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SC[C@@H]1CN(Cc2ccccc2)CCO1 12595209 TYNIQAMBSVHNCV-MSOLQXFVSA-N 436.603 1.785 0 40 IDAB CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CC1 12866906 PWKRNKJUOWBNNU-KRWDZBQOSA-N 449.504 1.267 0 40 IDAB biogenic COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(OC)ccc2OC)c1=O 13992283 BBKGDXGOEACBGX-UHFFFAOYSA-N 427.457 1.856 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccc(Cl)cc1 18077705 BHXUCWXFUBANPW-CVEARBPZSA-N 436.896 1.820 0 40 IDAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1C(=O)c1cccc(N2CCCCS2(=O)=O)c1 19286335 UXQBGQOXMAUQJB-ZWKOTPCHSA-N 442.541 1.780 0 40 IDAB O=C([C@H]1CCCO1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699878 KPRUKWZIOZFJHS-WOJBJXKFSA-N 440.544 1.743 0 40 IDAB CNc1cc(CN(C)C(=O)CN2Cc3ccccc3C2=O)nc([C@H]2CCCN2C(C)=O)n1 19759866 HZTLVHHUWSLNRX-LJQANCHMSA-N 436.516 1.816 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)CN2CCN(Cc3ccccc3)CC2)c(=O)[nH]c1=O 23290725 HGWCBJLYFXOEJJ-UHFFFAOYSA-N 442.564 1.090 0 40 IDAB Cc1nn(C)c2c(=O)n(C(C)C)c(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)nc12 28556989 NZAKPSAXYWBBIU-UHFFFAOYSA-N 444.561 1.671 0 40 IDAB CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)N1CCOCC1 32579278 VCOHOAKTMRVEPB-UHFFFAOYSA-N 433.534 1.116 0 40 IDAB COc1cc(OC)c(OC)cc1CNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 40158590 VWAHNEUZTJQEQZ-UHFFFAOYSA-N 434.474 1.183 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)C1 72325957 PVJBBSSEYOFUED-MWTRTKDXSA-N 442.516 1.352 0 40 IDAB COc1ccccc1OCCc1cc([C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n[nH]1 72371767 DFOBZDPRINOGEL-HNNXBMFYSA-N 431.518 1.952 0 40 IDAB CC1=C(C)C(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O 84674102 ZPFILJXSYSTPPK-UHFFFAOYSA-N 441.893 1.005 0 40 IDAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1CCCC1 89448738 RDBSDFZYKCSDJH-CQSZACIVSA-N 440.518 1.507 0 40 IDAB CC(=O)Nc1ccc(N(C[C@@H](O)CNCC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 95117133 OJIGQMOBYFZHNX-SFHVURJKSA-N 435.502 1.184 0 40 IDAB O=C1CCCC(=O)N1CCS(=O)(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206846860 SEHPRSYPHHDRPT-HNNXBMFYSA-N 434.474 1.004 0 40 IDAB Cc1noc(C)c1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224422309 OKWBLNUDLPESJF-UHFFFAOYSA-N 443.547 1.823 0 40 IDAB O=C(c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)N1CCOCC1 225082860 IEAIOGTVNQNZQZ-UHFFFAOYSA-N 443.481 1.613 0 40 IDAB CCn1cc([C@@H]2CC(c3c(O)cc(C)oc3=O)=NN2c2ccc(S(N)(=O)=O)cc2)cn1 227173559 PCWXZJPQAQBDSJ-KRWDZBQOSA-N 443.485 1.873 0 40 IDAB O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(C1CC1)[C@H]3C(=O)NC1CCCC1 245230323 PEQRRQDTRSBGEN-RPMNLZPZSA-N 435.524 1.675 0 40 IDAB Cc1nc2cc(C(=O)N3CCN(CCc4ccccc4)C[C@H]3C(N)=O)ccc2n1CCO 257261478 LHMAUYKFGADZSD-QFIPXVFZSA-N 435.528 1.191 0 40 IDAB CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)NCc3ccc4[nH]c(=O)[nH]c4c3)cn2)C1 257286994 PNYRJRIMCWTKTH-HNNXBMFYSA-N 429.502 1.320 0 40 IDAB CC(C)N1[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N(C)c2ncccc2S1(=O)=O 306131331 KCBLEAYNWBIJOF-IRXDYDNUSA-N 430.530 1.912 0 40 IDAB COCCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)Cc2ccccc2C)CC1 306144994 ZUGXYGLLCREAOC-UHFFFAOYSA-N 425.533 1.760 0 40 IDAB C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)O)CC(=O)N[C@@H](c2ccccc2)C(=O)N1 643555620 XHWWJJURRGSUCI-AXHNFQJDSA-N 425.441 1.014 0 40 IDAB CCn1nc(CC(=O)Nc2nnc(CC(=O)N3CCCC3)s2)c2ccccc2c1=O 1351536 BEUJLTWXKNZUTA-UHFFFAOYSA-N 426.502 1.614 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1 9283069 YJTIVGJUVVQUSC-UHFFFAOYSA-N 440.528 1.446 0 40 IDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 9386428 NSCDCGSRZFLIBH-HXUWFJFHSA-N 446.485 1.470 0 40 IDAB COCCn1c(C)cn2c3c(=O)n(CC(=O)c4ccc(Cl)cc4)c(=O)n(C)c3nc12 9713192 LEQFQZHHWSKJRD-UHFFFAOYSA-N 429.864 1.641 0 40 IDAB COC[C@@H](C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 12896049 IUXRREKJLJVXGE-GOSISDBHSA-N 439.578 1.376 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)COC(=O)c2ccc3c(c2)CCC3)cc1 13023288 MCXBXLBXUKHKJW-UHFFFAOYSA-N 430.482 1.539 0 40 IDAB COc1cc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Nc2ccccc2)cc(OC)c1OC 13564008 NRRQSMRFDDAIPB-DLBZAZTESA-N 429.473 1.996 0 40 IDAB CNC(=O)CN1CCN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)CC1 14086061 CBXRNQBFHVXYSZ-UHFFFAOYSA-N 428.562 1.186 0 40 IDAB Cc1cc(Cl)c2c(c1)[C@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 16010077 PSLFARPWFHKJMQ-RPWDQDSNSA-N 444.919 1.577 0 40 IDAB CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 16032693 YXFYDKGOUWOCQS-NSPYISDASA-N 432.473 1.829 0 40 IDAB biogenic CCN(C(=O)[C@H](C)OC(=O)C[C@@H]1Sc2ccccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 16770735 YVUAYECFGVUZMW-ZENOOKHLSA-N 440.543 1.457 0 40 IDAB COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)C1 19076864 KYNUNUWZBYWGBH-OCCSQVGLSA-N 438.531 1.256 0 40 IDAB CCS(=O)(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699673 XVKUKJDLMMYUCC-KRWDZBQOSA-N 448.545 1.027 0 40 IDAB CCc1noc(CCC(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)cn3)CC2)n1 19708390 XPTCEAAOBRUBQB-UHFFFAOYSA-N 427.505 1.838 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)CN1CCN([C@H](C(N)=O)c3ccccc3)CC1)OCO2 22911888 PDJQOJIRYHJICT-QFIPXVFZSA-N 438.484 1.401 0 40 IDAB CCN(CC)C(=O)c1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 23657613 AHMYSKADUMVYPU-MRXNPFEDSA-N 434.518 1.273 0 40 IDAB Nc1c(N(CC(=O)N2CCCCC2)C[C@@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 24991901 JCLVSNXMHMOAAR-SFHVURJKSA-N 441.532 1.165 0 40 IDAB CCCc1nnc(S)n1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 25082735 XLUHJIXCWLVONB-UHFFFAOYSA-N 439.563 1.487 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 25802099 OVFCBCQOBIXZRU-MAUKXSAKSA-N 445.607 1.708 0 40 IDAB O=C(CP(=O)(O)O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 31750006 FKUGSGPZQIDQDT-KRWDZBQOSA-N 435.369 1.526 0 40 IDAB Cc1cnc2c(S(=O)(=O)N3CCN([C@@H](C)C(=O)Nc4ncccn4)CC3)cccc2c1 58292653 SQDBLJRKLYZUIW-INIZCTEOSA-N 440.529 1.667 0 40 IDAB COc1cccc([C@H](CNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)N(C)C)c1 72297088 RKKJEOZYYUDDKO-FQEVSTJZSA-N 447.557 1.590 0 40 IDAB CC(C)[C@@H](N[C@H]1C=CS(=O)(=O)C1)C(=O)N1CCC(c2nn(C)c3ncccc23)CC1 72341212 XHIMYCXSZDYZJZ-FUHWJXTLSA-N 431.562 1.599 0 40 IDAB Cc1ccc(NC(=O)c2cnn(-c3cccnc3)c2)cc1S(=O)(=O)N1CCOCC1 79104451 VLOJHKBHOZWZAS-UHFFFAOYSA-N 427.486 1.849 0 40 IDAB CNS(=O)(=O)c1cc(/C=C/C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)ccc1OC 83882431 JAYYMCKRKILKOO-DYLHUKMJSA-N 444.513 1.042 0 40 IDAB CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 95404750 CIFQGUKLIULJCB-WOJBJXKFSA-N 434.606 1.387 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 101671510 ZPBBBYDTFPDTKS-KKXDTOCCSA-N 427.457 1.857 0 40 IDAB COC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c2ccccc2O1 222910520 LKNFLHQXVIKQHY-QGZVFWFLSA-N 434.470 1.526 0 40 IDAB CN(CC(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2)[C@H]1CCS(=O)(=O)C1 248031656 TVUJVJAJVJLFSN-FHWLQOOXSA-N 446.573 1.040 0 40 IDAB Cc1cn([C@H]2CCN(C(=O)c3ccc(CN4CCCC4)cc3)CC[C@@H]2O)c(O)nc1=O 257295067 QWWCREQYGJVRNG-PMACEKPBSA-N 426.517 1.691 0 40 IDAB O=C(CCCn1cncn1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257324173 WNMYKVKTHNEOME-WPFOTENUSA-N 441.576 1.748 0 40 IDAB CCS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2 260901763 NSUHAVDBYJOXGN-HNNXBMFYSA-N 434.470 1.528 0 40 IDAB COCC(=O)N1CC[C@@]2(C1)CN(Cc1csc(C)n1)S(=O)(=O)c1ccccc1O2 306140476 UUNMLJHLNHUDAC-LJQANCHMSA-N 437.543 1.652 0 40 IDAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCCCN1CCOCC1 408592935 MJCAEKFQIHCHLD-UHFFFAOYSA-N 427.567 1.147 0 40 IDAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O 409223388 FQFAQSHWCXTETP-KWWJGWKXSA-N 434.470 1.522 0 40 IDAB Cc1cc(O[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)nc(C)n1 585147352 JBLSMRPDAJEXGZ-SFHVURJKSA-N 446.529 1.408 0 40 IDAB O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3ccncc3F)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 604380990 AHEVTKVNQUONTD-ZNSCVOQBSA-N 433.455 1.442 0 40 IDAB biogenic,in-vitro O=C(COc1ccccc1)N1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@@H]1COCCN12 604381948 WGCYQRZGLITJLT-HXUWFJFHSA-N 436.512 1.895 0 40 IDAB biogenic,in-vitro CC[C@@H]1CN(C(C)=O)CC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 681501180 NVJGCOMRBPLZCX-GDBMZVCRSA-N 425.555 1.927 0 40 IDAB CN1C(=O)COc2ccccc2CCCC[C@@H]2[C@H]1CCCN2C(=O)Cn1cccnc1=O 1848354557 MDJHNINPSGZSIL-WOJBJXKFSA-N 438.528 1.867 0 40 IDAB Cn1c(O)ncc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)c1=O 1888890474 ZSMWOTNNRLOKGY-UHFFFAOYSA-N 440.504 1.757 0 40 IDAB COCCn1cnc2cc(C(=O)NC[C@@]3(O)CCCN(c4ccc(F)cn4)C3)ccc21 2037880132 FONVRVMOCOFJAP-QFIPXVFZSA-N 427.480 1.978 0 40 IDAB CCn1cc(CN2C[C@H]3C[C@H]4[C@](C2)(CN(CCc2cccc(OC)c2)S4(=O)=O)O3)cn1 2055793581 ZOFQMUXHZVMGTI-FSSWDIPSSA-N 446.573 1.512 0 40 IDAB CCCn1c(SCC(=O)N2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C 880951 URDHXRNMNRJWLA-UHFFFAOYSA-N 427.530 1.521 0 40 IDAB Cn1c(=O)oc2cc(S(=O)(=O)NCCCN3CCN(c4ccccc4)CC3)ccc21 2339800 GBAHKDDWCUCHEV-UHFFFAOYSA-N 430.530 1.622 0 40 IDAB O=C1CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2N1 2615875 DKVXNUZNTLIWRU-UHFFFAOYSA-N 443.481 1.613 0 40 IDAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2nc(-c3ccccn3)cs2)n(C)c1=O 9224052 KTCZKBVFCIBHAC-UHFFFAOYSA-N 425.474 1.371 0 40 IDAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3n[nH]c(=O)c4ccccc34)ccc21 9253964 JABZWRQIZXRBNQ-UHFFFAOYSA-N 441.465 1.675 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC 9465774 FVGLKLNRDYUNRE-KDOFPFPSSA-N 426.535 1.800 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 9806602 IJHBXBZFPVARJG-QGZVFWFLSA-N 449.504 1.420 0 40 IDAB O=C(c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1)N1CCN(c2ccccc2)CC1 12030345 XTXPENXBNUFDDM-FQEVSTJZSA-N 448.566 1.610 0 40 IDAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccccc2F)c2nc(C)nc(C(N)=O)c21 12236957 WHXFQBDMVHIVHR-CQSZACIVSA-N 440.479 1.920 0 40 IDAB Cc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)nc2n1 12566319 FMITVTMMDCCDGK-UHFFFAOYSA-N 447.542 1.916 0 40 IDAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 12757412 JPPLEUNQOBSGGI-AWEZNQCLSA-N 431.470 1.272 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(F)cc2)cc1OC 13646615 QNGHHSSCJRVNRF-UHFFFAOYSA-N 439.509 1.716 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCC[C@H](C)C2)c2c(C(N)=O)nc(-c3ccsc3)nc21 19524222 PIYLATIPFLNCQV-LBPRGKRZSA-N 428.518 1.699 0 40 IDAB Cn1nccc1C(=O)N1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19759661 CQWDQTPQDRFPTP-NRFANRHFSA-N 435.484 1.654 0 40 IDAB Cc1cccc(C(=O)NCCNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)c1 21453539 AFZTVMSQZONFBF-UHFFFAOYSA-N 428.470 1.512 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)cc1 21699778 WHGHJMOJXWLEHM-MRXNPFEDSA-N 434.580 1.581 0 40 IDAB COc1ccc(OCCN2CCN([C@@H](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1 22916521 ZZSSUAKLPNEEPY-HNNXBMFYSA-N 432.546 1.879 0 40 IDAB O=C1C(=O)N(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(F)cc21 23864514 NVJPAFFGBASUKZ-UHFFFAOYSA-N 435.452 1.848 0 40 IDAB NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 25607220 NMTSAGMJNGXCQJ-ZWKOTPCHSA-N 436.940 1.027 0 40 IDAB CCOC(=O)[C@@H]1[C@@H](c2cn(-c3nc(C)cc(C)n3)nc2C)NC(=O)N[C@@]1(O)C(F)(F)F 28466538 OFEIUHZNGSZWKK-AHIWAGSCSA-N 442.398 1.372 0 40 IDAB O=C(CN1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1)Nc1ccc(F)cc1 35400044 PMSYYXVTAMAITG-UHFFFAOYSA-N 445.520 1.734 0 40 IDAB CCCN(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)[C@H]1CCS(=O)(=O)C1 49643435 VNISTAFPFJQAFP-YJBOKZPZSA-N 446.529 1.057 0 40 IDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 57449241 NUZCWVGGADBHJM-UHFFFAOYSA-N 432.410 1.837 0 40 IDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cccc(Cn2cccnc2=O)c1 58283353 YPMRHSAZOPEQJH-LJQANCHMSA-N 426.521 1.356 0 40 IDAB O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(C/C=C/c2ccccc2)CC1 61719161 AYUSNURLLSIJMS-ZLHKHBAESA-N 444.557 1.010 0 40 IDAB CSc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 83992985 FWTLKCNMJADLOZ-OAHLLOKOSA-N 433.577 1.075 0 40 IDAB CC(=O)NCc1ccc(S(=O)(=O)NCc2ccccc2CN2CCC(O)CC2)s1 95462008 WIZHJRWAKVRYFF-UHFFFAOYSA-N 437.587 1.819 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222803610 UFLZFDQOGPJACE-AWEZNQCLSA-N 445.497 1.003 0 40 IDAB CC[C@@H]1[C@H](COC(=O)c2ccccc2C(=O)O)O[C@H](OC)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 252286829 LSYZNSASYNHALF-YOZCEPSOSA-N 438.429 1.803 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 575424104 SPIRIFHSAHGSPG-INIZCTEOSA-N 438.527 1.721 0 40 IDAB CN1c2cc(F)c(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2N(C)S1(=O)=O 575611544 FZMNBGNYLBOBQD-UHFFFAOYSA-N 429.451 1.529 0 40 IDAB CCC(CC)C(=O)N1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CC1 598890628 JSFZWLGMJFJZCF-UHFFFAOYSA-N 446.533 1.255 0 40 IDAB O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1569694789 YPXYXJNHOCVNTO-YXJHDRRASA-N 445.457 1.721 0 40 IDAB CN(Cc1ccc(OCCOCCO)cc1)C[C@@]1(O)CCN(c2cncnc2N(C)C)C1 2037916448 QUAFLQWIGNXFJR-QHCPKHFHSA-N 445.564 1.004 0 40 IDAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1=NO[C@]2(CCCN(Cc3ccc(F)cc3F)C2)C1 2056226697 XYZNTTXKMIANKQ-DNVCBOLYSA-N 427.473 1.379 0 40 IDAB O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOCC2)c1 2655671 OWKYOAUFUSZTPO-UHFFFAOYSA-N 429.926 1.103 0 40 IDAB O=C(NCCNC(=O)c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O 3154716 KBIINLJRJBYVCU-UHFFFAOYSA-N 436.376 1.470 0 40 IDAB CN(C(=O)c1ccccc1C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 8881782 VTLZEIGGQJGLRT-OAHLLOKOSA-N 430.482 1.423 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3ccccn3)C2)cc1 8992267 YVHXCLKNFATICF-OAHLLOKOSA-N 432.502 1.246 0 40 IDAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1 9119726 LTWZCMFXLURWMC-UHFFFAOYSA-N 436.494 1.100 0 40 IDAB C[C@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1ccccc1 9551295 CUKYMPZPOHFUPF-GJZGRUSLSA-N 429.498 1.924 0 40 IDAB O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)NC(=O)NC1CCCCC1 9609386 YWJUNQBAXDMCPB-UHFFFAOYSA-N 442.563 1.353 0 40 IDAB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(OC)cc1 10385761 BLCBPCTYBRAKEW-HNNXBMFYSA-N 445.520 1.484 0 40 IDAB CNC(=O)NC(=O)[C@@H](OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccccc1 10759223 FGSJQBIFYRMZQY-QTPGKHNVSA-N 430.461 1.227 0 40 IDAB CCN(C(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 12003480 YHQVTUBJQWRPNQ-GFCCVEGCSA-N 434.923 1.056 0 40 IDAB Cc1cc(C)n2ncc(C(=O)N3CCC4(CC3)Nc3ccccc3S(=O)(=O)N4)c2n1 12142348 BLPZQWPNEKQFTL-UHFFFAOYSA-N 426.502 1.682 0 40 IDAB CC(C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1Cl 12232347 IGUWRAGADXQWGL-NSHDSACASA-N 442.303 1.990 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 12804211 LZQXPEKVQAUEAK-GJZGRUSLSA-N 445.497 1.566 0 40 IDAB C[C@H]1CN(C(C)(C)CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 12889764 WIRATMBBXXVZMW-GASCZTMLSA-N 431.986 1.965 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)C2=O 13041097 AYHXOVFGEVJYME-OJCRERRGSA-N 447.557 1.703 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(Cc3ccc4c(c3)CCO4)CC1)C2=O 14083874 XZSFQKFDUQHSMP-OSPHWJPCSA-N 440.544 1.766 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1C(N)=O 15544706 DWBLKCUXMPUCFQ-UHFFFAOYSA-N 432.546 1.568 0 40 IDAB COc1ccc(CNC(=O)Cn2nc3c(cc2=O)CCc2nc(N4CCCC4)ncc2-3)cc1 19555750 AOBPOZJUNVXNAL-UHFFFAOYSA-N 446.511 1.724 0 40 IDAB C[C@@H](NC(=O)c1cccc2cccnc12)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 19575435 DYVGAOJIJMOEOR-ZBFHGGJFSA-N 431.514 1.205 0 40 IDAB CN(C)CCN1CCN(C(=O)CN2C[C@H](c3ccc(F)cc3)[C@@H](c3csnn3)C2)CC1 19582850 CPSSCVQXICBBPE-UXHICEINSA-N 446.596 1.566 0 40 IDAB O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3F)CC2)CCN1 19745770 RUJUXCRNMKHFNK-NRFANRHFSA-N 444.551 1.420 0 40 IDAB C[C@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n2C1 19829494 NKIVMEQHTPGALB-INIZCTEOSA-N 430.553 1.018 0 40 IDAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)N1C1CC1 24527595 ZVKWKXZRJWMSOR-OAHLLOKOSA-N 431.436 1.302 0 40 IDAB COCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O 26100186 IVACSVFOJLJWFK-UHFFFAOYSA-N 432.590 1.882 0 40 IDAB O=C(NCc1ccnc(N2CCOCC2)c1)NC[C@@H](c1ccccc1)N1CCOCC1 29729380 KMDVABVSJKVLGU-NRFANRHFSA-N 425.533 1.791 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1COc2ccccc2O1 31039920 MCIHFTOBBKJXBU-HNNXBMFYSA-N 448.497 1.286 0 40 IDAB CSc1nc2nc(C)c(CCC(=O)NCC(=O)Nc3ccc(C(N)=O)cc3)c(C)n2n1 32916651 GSVLAAWWNKNMQJ-UHFFFAOYSA-N 441.517 1.249 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)N1CCCCC1 36384412 YKXZRQMDLDGONP-UHFFFAOYSA-N 430.368 1.768 0 40 IDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 39996268 CSWQRQHVYRARBX-ROUUACIJSA-N 445.541 1.634 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2cc(-c3nnco3)ccc2=O)c1 40139001 AUVYHAZEIGGFPQ-UHFFFAOYSA-N 431.474 1.568 0 40 IDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)C1 48262771 KYAWOPCAAXNUSO-OAHLLOKOSA-N 429.564 1.948 0 40 IDAB COc1cc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc(OC)c1OC 61971854 CWELNTNLHVKTHS-UHFFFAOYSA-N 433.505 1.289 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)C(C)C)c1 72272930 XQWKUYPBRVWAEF-DYESRHJHSA-N 434.581 1.458 0 40 IDAB CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)C4CCCC4)CC3)n2)CC1 72335887 NJXVQIUUFYZYRJ-UHFFFAOYSA-N 435.594 1.528 0 40 IDAB CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 104371380 WOPWLXOQMMEKKL-HTMJNSLASA-N 431.470 1.381 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(CN4CCOCC4)cc3)ccc21 139214534 RMKYAZGKBCWKHK-UHFFFAOYSA-N 429.542 1.906 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)s1 225841543 YIPRVNVWBAHYKW-UHFFFAOYSA-N 430.533 1.516 0 40 IDAB COC(=O)COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1Cl 226686313 NWIUCUMVQCKFOS-ZDUSSCGKSA-N 432.926 1.817 0 40 IDAB COc1ccc2cc(C(=O)N3CCCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)[nH]c2c1 238963263 YRYYZKUOUUGTSA-UHFFFAOYSA-N 431.518 1.755 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@@H]2c2ccc(CNC(=O)CO)cc2)cc1 257221640 DPYHHHVZZLXZEW-YADHBBJMSA-N 425.529 1.308 0 40 IDAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)cc1 257229730 FZGLZXRYUBDWCJ-MRXNPFEDSA-N 447.561 1.358 0 40 IDAB CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccc(Cn4ccnc4)c3)C2)ncn1 257315124 UZZNNDHDYUAENR-QHCPKHFHSA-N 435.532 1.867 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408670914 XRFRRIDHIGFSOI-GOYXDOSHSA-N 442.468 1.765 0 40 IDAB C[C@]1(c2ccc(C(=O)N3C[C@@H](C[C@@H]4COCC(=O)N4)c4ccccc43)cc2)NC(=O)NC1=O 554656827 FCGVXBWCLUSFHF-PNIPZHNDSA-N 448.479 1.390 0 40 IDAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCN(c2ccc(-n3cncn3)nn2)CC1 575610720 OFLQBVUXQJLXCW-UHFFFAOYSA-N 449.443 1.016 0 40 IDAB C=CC(=O)N(C)CC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1155475946 ZSPCZMVRMXUTFU-UHFFFAOYSA-N 432.525 1.379 0 40 IDAB COC(=O)[C@H](Cc1cncs1)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 1665316258 MAADGWCCKQKITM-INIZCTEOSA-N 439.515 1.168 0 40 IDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 922911 CIRZLZNMMLCXCN-UHFFFAOYSA-N 427.523 1.587 0 40 IDAB COc1cccc(-c2nnnn2[C@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4cccs4)CO[C@H]23)c1 4270648 XQNZMVPORZVNOZ-XJNFMUPTSA-N 449.514 1.096 0 40 IDAB biogenic,in-vitro CCOc1cc(CNCCSc2nnnn2C)cc(Br)c1OCC(N)=O 8723268 RFHLYJRGBCBBIA-UHFFFAOYSA-N 445.343 1.117 0 40 IDAB CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NC(C)(C)CO 9304704 LEWRMYOIEMOANN-DJJJIMSYSA-N 445.516 1.782 0 40 IDAB Cn1c(=O)c2c(SCC(=O)N3CCCCC3)nc(-c3ccccc3)nc2n(C)c1=O 9382365 GIKAEMIHJQFIDK-UHFFFAOYSA-N 425.514 1.799 0 40 IDAB COc1ccccc1Cn1c(=O)c2cccnc2n(CC(=O)NCCc2ccccc2)c1=O 9831024 VQKMIQRPKNKOEQ-UHFFFAOYSA-N 444.491 1.974 0 40 IDAB CC(C)OCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1 10385608 MDILDVMGDSBTSI-INIZCTEOSA-N 445.520 1.101 0 40 IDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)CCCN3C(=O)CNC3=O)C2)C1 12087164 ZLCIGYGCHXXWIN-QFIPXVFZSA-N 428.489 1.121 0 40 IDAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccccc2F)c2nc(C)nc(C(N)=O)c21 12236960 WHXFQBDMVHIVHR-AWEZNQCLSA-N 440.479 1.920 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COc3ccc(C=O)cc3)CC2)c1 12855123 GBOGDGCTEZELJF-UHFFFAOYSA-N 448.497 1.428 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3c(C)nn(C)c3C)CC2)cc1 13039241 IBMHRCPXCHUNGQ-MDZDMXLPSA-N 430.530 1.786 0 40 IDAB O=CN1CCN(C(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 13668233 FXVVGFOMCDHFAP-UHFFFAOYSA-N 439.896 1.975 0 40 IDAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)N(Cc2ccccc2)Cc2ccco2)n(C)c1=O 14199146 YSGLUPNQLXWREX-UHFFFAOYSA-N 441.875 1.909 0 40 IDAB Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](CO)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15968280 LPHFXVHCLFLXOK-FXKZBUDASA-N 439.899 1.604 0 40 IDAB biogenic C/C=C/C=C/C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 16043774 PJTHVYUHGVIERU-MQQKCMAXSA-N 428.894 1.975 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)c1 17063195 RAEYMFUOPJXKOF-UHFFFAOYSA-N 440.525 1.546 0 40 IDAB Cc1c([C@@H](C)NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)cnn1C 19751243 JMRNCJDPZUUUIF-CQSZACIVSA-N 425.464 1.837 0 40 IDAB O=C(NCCc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20768952 JOHSVRWVTFRCQK-UHFFFAOYSA-N 429.542 1.836 0 40 IDAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c(C)c1 22239969 JRJKJQRCSFTNNY-UHFFFAOYSA-N 438.532 1.388 0 40 IDAB CC(C)(C)c1cc(NC(=O)Cn2ncc3ccccc3c2=O)n([C@@H]2CCS(=O)(=O)C2)n1 23053961 TZZBSZFBMPNUBK-OAHLLOKOSA-N 443.529 1.889 0 40 IDAB CCOc1ccc(OCCN2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1 24992477 CFGHORGFOWAYDH-UHFFFAOYSA-N 445.541 1.965 0 40 IDAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 32138823 KXOOYMPHUPMNSA-LYKCQVCGSA-N 449.799 1.304 0 40 IDAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 32731368 RTXOUNCDCLOMEP-HNNXBMFYSA-N 447.513 1.083 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCN(c2ncccn2)CC1 32794925 AACQFGUKBDOGON-CQSZACIVSA-N 430.306 1.941 0 40 IDAB Cc1cc(N2C[C@H](C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2=O)ccc1Br 32795617 USQHIZKRTOKWHG-TZMCWYRMSA-N 429.336 1.756 0 40 IDAB C[C@H]1O[C@H]2OC(=O)[C@]3(C)CC4=C(CO)C5=C(CC(=O)[C@@]4(C)[C@H](C1=O)[C@H]23)C(C)(C)OC(=O)C5 35457816 JIEVZPUBUDASNE-XEGJHTKUSA-N 444.480 1.790 0 40 IDAB biogenic,in-vitro COc1ccc(OC)c2sc(N(C[C@H]3CCCO3)C(=O)CN(C)S(C)(=O)=O)nc12 38840398 SDKFASFLABCYGZ-GFCCVEGCSA-N 443.547 1.717 0 40 IDAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc21 40108883 RNUBBTGDYXFCRQ-UHFFFAOYSA-N 448.405 1.434 0 40 IDAB Cn1cc(S(=O)(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)n(C)c1=O 95465299 CUKZLRSPCDTGQL-UHFFFAOYSA-N 447.344 1.292 0 40 IDAB COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1cccnc1 95465351 MUVXZKLWJNOJTN-WBVHZDCISA-N 437.543 1.883 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(-n5cncn5)nn4)CC3)CC2=O)cc1C 96124252 PPMCNTRAYGXDJI-SFHVURJKSA-N 446.515 1.376 0 40 IDAB CN(C)CC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 96145884 GQYQKEYSFHYVAY-OALUTQOASA-N 444.557 1.586 0 40 IDAB COc1cccc(C(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(Cc2ccncc2)S4(=O)=O)O3)c1 96145985 KBGWQLCXQJAKAN-DYXWJJEUSA-N 429.498 1.288 0 40 IDAB Cn1cc(CN2C[C@@H]3CN(C(=O)N4CCCC4)CCC[C@]3(C(=O)NCC3CC3)C2)cn1 96251463 ZPTAWAKFMPSHRI-OFNKIYASSA-N 428.581 1.676 0 40 IDAB Cn1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cn1 217970921 GKHGWMCMKZGFBL-UHFFFAOYSA-N 436.918 1.298 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)s1 222745374 XPRDLWGBBBEUNJ-LLVKDONJSA-N 444.560 1.905 0 40 IDAB NC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1 257314217 UVVXJUONXAFNHN-QHCPKHFHSA-N 425.508 1.388 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N(C)Cc2cnccn2)c1 524006071 PRBHIIZDCVEOAE-UHFFFAOYSA-N 447.561 1.616 0 40 IDAB COC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524734185 GOQOEBSYDWOFIJ-OAHLLOKOSA-N 436.411 1.593 0 40 IDAB Cc1cc(C)n2nc(C(=O)NCCN3c4ccccc4N(C4CC4)S3(=O)=O)nc2n1 585147631 IXGBJJAITBIOGJ-UHFFFAOYSA-N 427.490 1.205 0 40 IDAB CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8789660 GXNGULFTZNPMGV-IEBOFQNGSA-N 426.473 1.817 0 40 IDAB biogenic CCNC(=O)[C@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 9125050 UXQSRDAHDKBODS-BBRMVZONSA-N 435.525 1.996 0 40 IDAB CCCCn1c(N)c(N(C(=O)Cn2c(=O)oc3ccccc32)C2CCCC2)c(=O)[nH]c1=O 9366520 DWZLYFSOSYYYRL-UHFFFAOYSA-N 441.488 1.803 0 40 IDAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)c1c[nH]c(C(=O)N2CCCC2)c1 9459876 DGUPHQLMSNQWAH-UHFFFAOYSA-N 428.470 1.528 0 40 IDAB CC1(C)NC(=O)N(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C1=O 9486962 DEHFXQRROUVNFK-UHFFFAOYSA-N 436.534 1.910 0 40 IDAB CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(Cl)cc1 9968524 MEUXRWPSGKEJIB-KURKYZTESA-N 443.836 1.637 0 40 IDAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 11558858 UMOJWAXDZRUZLY-MRXNPFEDSA-N 428.470 1.548 0 40 IDAB Cc1cc(NC(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)no1 11758284 FEBUITHTXCBMLR-UHFFFAOYSA-N 428.430 1.314 0 40 IDAB Cc1ccc(CNC(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 12797754 MVZJTTKAMLTGAN-UHFFFAOYSA-N 448.520 1.466 0 40 IDAB CCCCN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 13061585 DCFQPKCJTJIHBN-YCRPNKLZSA-N 449.529 1.032 0 40 IDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1=O 14071134 SFHHKJHVLUJKDW-NRFANRHFSA-N 448.545 1.910 0 40 IDAB CC(C)N1CCc2nc3cc(C(=O)N(C)[C@]4(C)CCS(=O)(=O)C4)ccc3c(=O)n2CC1 19448583 KEWMSSZMEIRWCQ-JOCHJYFZSA-N 446.573 1.312 0 40 IDAB Cc1c(C(=O)N[C@H](C)C(=O)N2CCC[C@H](C(=O)CS(C)(=O)=O)C2)[nH]c2ccccc12 19565865 BVNGHLZWUSYKTE-CABCVRRESA-N 433.530 1.447 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O 19699613 GCCJSYCWHAYAIW-SFHVURJKSA-N 426.517 1.543 0 40 IDAB CCOC(=O)N1CCC(NC(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)CC1 20738412 VHQGAVWIUZKEON-UHFFFAOYSA-N 427.505 1.973 0 40 IDAB biogenic CCOC(=O)CS[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 23515196 UWFYWHRNTGIJFJ-AWEZNQCLSA-N 430.548 1.639 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)C1=O 23948115 BRBLYGKXWYNOGY-XMMPIXPASA-N 448.479 1.924 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ccc(Cn2ccnc2)cc1 30219836 PXBBWOBLOOTBEX-DEOSSOPVSA-N 429.480 1.941 0 40 IDAB CCOC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)cc(C(=O)OCC)c1 31668376 OAHBHWHDSMLDSX-UHFFFAOYSA-N 437.474 1.539 0 40 IDAB CCC[C@]1(C)NC(=O)N(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 40114095 LUNVUXVYUMYLOA-IBGZPJMESA-N 425.507 1.197 0 40 IDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCCN(C(C)C)S(C)(=O)=O 48274362 MQEWDWDYUZCUCV-QGZVFWFLSA-N 426.518 1.081 0 40 IDAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 57347444 VPSZPHYXGLPMAH-INIZCTEOSA-N 438.550 1.572 0 40 IDAB O=C(NCCC(=O)N1CCCCCC1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 58157954 XAVIOKPLFDCQSK-SFHVURJKSA-N 437.562 1.666 0 40 IDAB CC(C)[C@@H](N[C@@H]1C=CS(=O)(=O)C1)C(=O)N1CCC(c2nn(C)c3ncccc23)CC1 72341214 XHIMYCXSZDYZJZ-SJLPKXTDSA-N 431.562 1.599 0 40 IDAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@H]2C=C[C@H]1C2 102342459 FAPJLWGAGCABTC-GVARAGBVSA-N 430.935 1.757 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 222420836 YLSQRBGVXXVIPG-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)s1 224835815 DKRHZMOWXIYMLO-UHFFFAOYSA-N 444.560 1.932 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCSc2nc(C)n[nH]2)cc1C 226065261 NPLCZHKRZDCBLK-UHFFFAOYSA-N 441.579 1.739 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@H](CO)[C@H](O)[C@H]1O 240068192 SMWDBPKQNHBCGZ-IKOXMDCHSA-N 433.301 1.047 0 40 IDAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl 409232047 MSVKMMDZQOPJGA-UHFFFAOYSA-N 434.879 1.340 0 40 IDAB CSCC[C@@H](C(=O)NCCc1nnc2ccccn12)n1c(O)nc2ccccc2c1=O 524732678 VSAYXVCEHSRGSZ-INIZCTEOSA-N 438.513 1.798 0 40 IDAB O=S1(=O)CC[C@H](N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc3ccccc3c2)C1 575425552 ZSCZRJLGZOKNLN-IRXDYDNUSA-N 443.568 1.205 0 40 IDAB CN1CCC(N2CC[C@@H](N(C)C(=O)c3cnc4c(c3)c(O)nc(=O)n4C3CC3)C2)CC1 601477099 DLHJFYSVLFRMEH-QGZVFWFLSA-N 426.521 1.073 0 40 IDAB CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 647690863 MFACTVCDHUJBRT-UWJYYQICSA-N 441.507 1.525 0 40 IDAB CN(C)CCOc1cccc(C(=O)N2C[C@H](O)[C@@H](n3c(=O)nc(O)c4ccccc43)C2)c1 1848356343 DTYCIFVBSDTAJT-PMACEKPBSA-N 438.484 1.101 0 40 IDAB COC(=O)CS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 2405079 OQDBMGNDSYELAE-ZDUSSCGKSA-N 425.463 1.825 0 40 IDAB aggregator CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NC[C@H]1CCCO1 6198577 WDKMWWJAYFRUHV-MRXNPFEDSA-N 432.546 1.674 0 40 IDAB O=C(O)CC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 9130328 DERHFNHEHXFYBG-DSHVSQKMSA-N 447.875 1.104 0 40 IDAB CC(C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O 9130504 NXPBFYJZXGLYMJ-PXNSSMCTSA-N 438.484 1.991 0 40 IDAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 9484883 XSDCNZYNDHOGGL-PXNSSMCTSA-N 437.500 1.204 0 40 IDAB Cc1ccccc1OCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9570000 ZOGRWEKYBPREPE-UHFFFAOYSA-N 435.521 1.781 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)Cc2ccc3c(c2)OCO3)c1 9766404 DLSSQBXPNHSUGF-UHFFFAOYSA-N 435.502 1.266 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(C)ccc2OC)n(C)c1=O 10102733 LTURNBGZDCRJSB-CQSZACIVSA-N 441.488 1.565 0 40 IDAB CC[C@@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 10385982 UKPQUWANMCBFBY-OCCSQVGLSA-N 435.912 1.737 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1 12408863 BXDKMWGSRIVBTJ-OAHLLOKOSA-N 429.502 1.422 0 40 IDAB Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c(C)n1C 13128804 CBRWNLOMSAHBFI-UHFFFAOYSA-N 447.557 1.992 0 40 IDAB NC(=O)c1cc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc(C(N)=O)c1 13134231 BUIJUNILPQSRKO-UHFFFAOYSA-N 441.447 1.895 0 40 IDAB O=C(N[C@H]1C=CS(=O)(=O)C1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 13692076 OXJJHGXTIMWYAZ-XUJLQICISA-N 446.978 1.852 0 40 IDAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)cc1 14094708 UBQXEBWQGXOPIC-MRXNPFEDSA-N 433.534 1.963 0 40 IDAB O=C(COc1ccc(Oc2ccccc2)cc1)N1CCN(CC(=O)N2CCOCC2)CC1 14252031 GFJHUFVDNCYOEX-UHFFFAOYSA-N 439.512 1.861 0 40 IDAB COc1ccc(CCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1OC 22518261 FUHMOXIBXQBHIJ-UHFFFAOYSA-N 439.509 1.815 0 40 IDAB Cc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 24770854 ANWRGPUBICZBPG-CALCHBBNSA-N 438.546 1.962 0 40 IDAB Cc1nonc1CN1CCN([C@H](C(=O)O)c2cn(CCC(=O)O)c3cc(F)ccc23)CC1 36355002 FNYHDMGAALFNFM-FQEVSTJZSA-N 445.451 1.890 0 40 IDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)ccc1-n1cnnn1 36575307 ROBMOHQAMQAAJO-OAHLLOKOSA-N 430.262 1.939 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)n(C)c1=O 36689010 PUGCRHYOTCEJRO-UHFFFAOYSA-N 430.424 1.881 0 40 IDAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)n1 72301580 AFZQCQPMBUTQSC-ACJLOTCBSA-N 425.489 1.183 0 40 IDAB CC(C)CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3nccn3C)[C@@H]2CO)cc1 72321517 ZQLBXDLNGCGZCJ-YLJYHZDGSA-N 436.534 1.279 0 40 IDAB biogenic,in-vitro Cn1nc(N2CCC(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2)ccc1=O 90592535 VYNRWWLPUABCGC-UHFFFAOYSA-N 447.542 1.649 0 40 IDAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)Cn2cc(-c3ccc(F)cc3)cn2)CC1 96104204 QNRKDKAKXRHADZ-UHFFFAOYSA-N 432.481 1.283 0 40 IDAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)cc1 219269070 PIZBWJPVJGEDLO-OAHLLOKOSA-N 437.522 1.222 0 40 IDAB COc1cccc(-c2noc(CNC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)n2)c1 219270362 LFMCIJKCUJQHSA-KRWDZBQOSA-N 444.469 1.589 0 40 IDAB COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)c2ccccc2O1 222632203 CRIQCZYGJCIPKS-LJQANCHMSA-N 448.497 1.719 0 40 IDAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222962891 YCTPYZUZFMXFCC-CQSZACIVSA-N 447.488 1.524 0 40 IDAB CN1C(=O)CO[C@H](C(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)[C@H]1c1ccccc1F 223157821 ONKLTQKHTJLPEX-UXHICEINSA-N 449.504 1.754 0 40 IDAB COc1ccc(-c2noc(CNC(=O)CN(Cc3ccccc3)S(C)(=O)=O)n2)cc1 225353903 MOTYHSDKCSYXKL-UHFFFAOYSA-N 430.486 1.823 0 40 IDAB COC(=O)c1cc(NC(=O)[C@](C)(NS(C)(=O)=O)c2ccc(F)cc2)cnc1OC 225958854 LGUGDRPOYYLEKR-GOSISDBHSA-N 425.438 1.419 0 40 IDAB CC(=O)O[C@@H]1[C@H](OC(=O)c2ccccc2)C=C[C@@H](O)[C@]1(O)COC(=O)c1ccccc1 257612709 WTFRADBWXYQLMA-GLHSZLCASA-N 426.421 1.663 0 40 IDAB biogenic,in-vitro Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C)C[C@@H]2CN(C(=O)NC(C)C)C[C@@H]23)o1 306138468 RYISUCKWXJMPEC-ZBFHGGJFSA-N 428.493 1.391 0 40 IDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 409195770 SAUQLGJQUSACFR-UHFFFAOYSA-N 441.531 1.286 0 40 IDAB CSCC[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 8996070 RHYOENXZKCWYKI-MKUROCSXSA-N 449.960 1.993 0 40 IDAB O=C(COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1)c1ccc[nH]1 9465814 BMTVECMNZBZNOQ-QFBILLFUSA-N 428.466 1.718 0 40 IDAB CC(C)N(C(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)C(C)C 9843455 ZNEXLQLLVAFFRY-UHFFFAOYSA-N 438.484 1.981 0 40 IDAB Cc1n[nH]cc1C(=O)N1CCC(c2nc(-c3ccncc3)ncc2S(C)(=O)=O)CC1 12087385 LQVXQVHHKWSPLZ-UHFFFAOYSA-N 426.502 1.993 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc(Cl)c3)CC2)cc1 12845357 RSDLKVIPWKDLAY-UHFFFAOYSA-N 435.933 1.911 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C3CCN(C(=O)C(C)C)CC3)CC2)c1 12972011 ZPPXRMFMTVSBJW-UHFFFAOYSA-N 449.573 1.617 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1OC 13098936 NFYYNKBYNFXTAV-UHFFFAOYSA-N 441.531 1.625 0 40 IDAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 13164271 CMQWLFJFEOBVBR-IBGZPJMESA-N 447.513 1.222 0 40 IDAB COc1cc2oc(=O)c(CC(=O)NCCNC(=O)[C@@H]3CCCNC3=O)c(C)c2cc1Cl 13655855 ZAIDWRYSJODJLP-GFCCVEGCSA-N 449.891 1.065 0 40 IDAB Cc1ccccc1-n1nnnc1SCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 14084559 DPPZMBOWMOXGHV-UHFFFAOYSA-N 429.506 1.044 0 40 IDAB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1ccc(F)cc1 15823693 YBDQEKHXRHVSEE-UHFFFAOYSA-N 432.521 1.934 0 40 IDAB COCCN(CCOC)C(=O)Cn1nc2c3c4c(sc3ncn2c1=O)C[C@@H](C)CC4 19497220 UFDVIPOYKFOCAJ-ZDUSSCGKSA-N 433.534 1.352 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2c[nH]nc2C)CCO1 19703013 QRXDXEMJIMFVGC-HNNXBMFYSA-N 429.502 1.918 0 40 IDAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)Cc1c(C)noc1C)C2 19708823 CADCTXUXVOMTFT-INIZCTEOSA-N 426.521 1.976 0 40 IDAB Cc1ncc(C(=O)N2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c(C)n1 19762849 BRKKVCDRDSHXTK-OAQYLSRUSA-N 435.484 1.577 0 40 IDAB CCc1ccc(Cn2nccc2NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 21599591 PAVMWMYFLKZWRM-QGZVFWFLSA-N 443.529 1.598 0 40 IDAB Cc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)NC4CC4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCC2)cc1 33939993 PMOHSBMXAZPEMG-IPPNUHETSA-N 449.551 1.983 0 40 IDAB COc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)CC3)NC2=O)cc1 35445353 PFBRILUSPAQFSC-UHFFFAOYSA-N 441.509 1.998 0 40 IDAB C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 36719080 KTMPNFKAMZQMQF-WIEQDCTASA-N 434.514 1.095 0 40 IDAB COc1ccccc1-n1ccn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c1=O 67256423 STFOPKSTAGGNLI-UHFFFAOYSA-N 438.459 1.496 0 40 IDAB CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 89490214 RKYINZCAYGIIIB-YLJYHZDGSA-N 438.571 1.251 0 40 IDAB CN1CCN(C(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1 96243750 SFZHISQHAKXSPJ-LJQANCHMSA-N 438.532 1.579 0 40 IDAB O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)N[C@H]1CCc2ccccc21 98213211 ZFNVBLMEUVLTME-IBGZPJMESA-N 435.459 1.644 0 40 IDAB C[C@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222894859 ZVMBHDJUEBMJTO-CQSZACIVSA-N 425.482 1.344 0 40 IDAB NC(=O)C1CCN(C(=O)C[C@@H]2OC[C@H]3CN(Cc4ncc(C(F)(F)F)[nH]4)CC[C@@H]23)CC1 1565552798 XJUSCHHXWQSOKT-KFWWJZLASA-N 443.470 1.379 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](CCC(=O)O)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 2128887 PCTAVKIIFJGKCY-VGHKVXAASA-N 425.485 1.831 0 40 IDAB biogenic O=c1/c(=C/c2ccco2)sc2n1CN(c1ccc(I)cc1)CN=2 2258354 MZHPSAGGDNKBBN-ZSOIEALJSA-N 437.262 1.991 0 40 IDAB COc1cc(/C=C/C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)O)cc(OC)c1OC 8665516 SAZDGPRWZSXGOK-PLTUYZKUSA-N 436.486 1.357 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)c1 8755330 BXJLNJQBAQTNPY-UHFFFAOYSA-N 443.547 1.929 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1 9001625 UNQBQHMYBRRJBE-UHFFFAOYSA-N 445.435 1.427 0 40 IDAB CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O 9212386 PRQROPMIIGLWRP-RCCFBDPRSA-N 437.562 1.197 0 40 IDAB biogenic COc1ccc(CCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 9570259 ZIDSGCUHBYOTLE-UHFFFAOYSA-N 431.558 1.896 0 40 IDAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)N[C@H]1CCS(=O)(=O)C1 9633350 FPPPJCVTOXWADN-ZDUSSCGKSA-N 447.513 1.920 0 40 IDAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O 9666539 UAWAYUNYBMEAIL-QFIPXVFZSA-N 448.439 1.474 0 40 IDAB COc1ccc(-c2cc3ccc(OCC(=O)N4CCNC(=O)C4)cc3oc2=O)cc1OC 12902666 YCRIDKZQZYIWJZ-UHFFFAOYSA-N 438.436 1.814 0 40 IDAB biogenic NC(=O)c1ccccc1OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 13002595 ZYDWGEGJGHBZOM-XNTDXEJSSA-N 429.498 1.309 0 40 IDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 14595045 BBWUCHDPEFIHLZ-UHFFFAOYSA-N 440.449 1.889 0 40 IDAB O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@H](Cc1ccccc1)N[C@@]21C(=O)Nc2ccccc21 16026499 QWTPFGWYUWQUJX-BYPPRKSQSA-N 431.492 1.829 0 40 IDAB biogenic COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 17333753 ZECVLLHEMCWJAW-INIZCTEOSA-N 433.530 1.719 0 40 IDAB C[C@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 17599052 YRQNBVZTKRCCBF-HNNXBMFYSA-N 446.504 1.504 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2cccc3nsnc23)cc1 19077203 YDFLOWNVYMICFM-UHFFFAOYSA-N 434.499 1.802 0 40 IDAB O=C(CN1CC2(CCC(N3CCOCC3)CC2)Oc2ccccc2C1=O)N1CCOCC1 19374594 SLPLHJYMCLPQRH-UHFFFAOYSA-N 443.544 1.394 0 40 IDAB COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c[nH]nc3-c3ccncc3)CC2)cc1 19554254 WSRKVQRXOQPAQY-UHFFFAOYSA-N 441.513 1.556 0 40 IDAB CN(C)C(=O)CN1CCC[C@@H](c2ccc3c(=O)n(C)c(=O)n(Cc4ccccc4)c3n2)C1 19742962 YAKZOELPCSSEPW-GOSISDBHSA-N 435.528 1.411 0 40 IDAB COCCNC(=O)CN1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)C3)C1 19744473 PTWFTOBYYVXXRJ-IBGZPJMESA-N 437.544 1.816 0 40 IDAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(CC(=O)NC[C@@H]4CCCO4)CC3)c2c1 20733777 FKEBPWFUVXXEFG-KKSFZXQISA-N 430.505 1.215 0 40 IDAB O=C(O)CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC(F)F)cc3)cc21 22990140 SQOMWYOQBFNPOZ-UHFFFAOYSA-N 428.369 1.899 0 40 IDAB CCn1c(N2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)nc2c(C)nn(C)c2c1=O 28556904 YOLCHAAQGOVMNT-UHFFFAOYSA-N 438.488 1.192 0 40 IDAB CCCn1c(N2CCN(C(=O)COc3ccccc3F)CC2)nc2c(C)nn(C)c2c1=O 28559169 MGJSKUFQJWHNCA-UHFFFAOYSA-N 442.495 1.715 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 35401849 MRCPGNNGRZIBHC-YOEHRIQHSA-N 441.532 1.716 0 40 IDAB Cc1c(C(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1-c1ccc(C(F)(F)F)cn1 36393200 XIMCLTXIILZTQN-UHFFFAOYSA-N 431.440 1.748 0 40 IDAB COCCNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 40286954 ZKLDTXOYVZWTGM-RTWAWAEBSA-N 425.485 1.485 0 40 IDAB COC(=O)c1ccc(CN2CCN(c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)cc1 56938974 WTGLIJWZUISCKR-FQEVSTJZSA-N 446.573 1.968 0 40 IDAB COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)n[nH]3)c2=O)cc1 57426603 RNNBRTCLLFDPSM-UHFFFAOYSA-N 425.470 1.952 0 40 IDAB C[C@H](NC(=O)c1cc(C2CC2)nn1C)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 72394938 BQWDBPJGDLXGSL-MAUKXSAKSA-N 425.533 1.767 0 40 IDAB COc1ccc(-n2nnc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)n2)cc1 77100318 XITPPAIRJBKSMC-UHFFFAOYSA-N 430.471 1.936 0 40 IDAB Cc1cc(C)c(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)c(C)c1CC(=O)O 96007263 DXHKHPPJEPIFHX-UHFFFAOYSA-N 430.486 1.818 0 40 IDAB CCS(=O)(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1ccc(OC)cc1)Cn1ccnc12 96062619 RQDDNPZWSNQNMR-GOSISDBHSA-N 448.545 1.248 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccccc2C)c(=O)n1CC(=O)N1CCC[C@H](C)C1 96794292 MUJVXAXBHYVPHQ-DSSVCZPYSA-N 428.554 1.649 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 223100136 LHMNUDVZVJISRT-UHFFFAOYSA-N 446.485 1.691 0 40 IDAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1cccc(O)c1)[C@H]1C(=O)N(c2cccc(O)c2)C(=O)[C@H]31 245231357 CEYMZESSFHGLPA-RKGSWTEASA-N 430.416 1.825 0 40 IDAB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 247847844 NKZXHBWKHXAHSY-SMOZNVCYSA-N 435.480 1.392 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3csc(Cc4ccccc4)n3)[C@H]2O)CC1 257275554 NPWIMHYORBUBMV-SYYKKAFVSA-N 442.585 1.910 0 40 IDAB O=C(c1cccnc1)N1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O 306125814 DCYNSEVQKKRXMM-URXFXBBRSA-N 429.480 1.909 0 40 IDAB CC(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)O[C@@]2(CCN(C(=O)c3cccnc3)C2)C1 306126010 DJGXRZGRXPXHCE-SIKLNZKXSA-N 426.448 1.691 0 40 IDAB CCNC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 408779013 OWMIXUZCGCFOFW-UHFFFAOYSA-N 428.514 1.816 0 40 IDAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)c5cc(F)ccc5OC)C[C@H]4C3)nn12 1888941735 DQDVUOWCCCYLFM-ZIAGYGMSSA-N 446.508 1.591 0 40 IDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3441930 LMERWNBZJOKFIY-UHFFFAOYSA-N 433.486 1.387 0 40 IDAB COc1ccc(NC(=O)[C@@H](c2ccc(OC)cc2)N(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 8690847 GRYCXMKNKLYEBT-PKOBYXMFSA-N 440.456 1.440 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(N2CCOCC2)cc1 8710777 BFYRGWJBCZPECU-QHCPKHFHSA-N 436.468 1.692 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)N1CCC[C@H]1C(=O)O 8791212 JOFBCJSJNSSHRO-QIJLZVCCSA-N 445.516 1.655 0 40 IDAB biogenic O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(C(=O)c2ccco2)CC1 9095577 CURIWBFHKPQGTE-UHFFFAOYSA-N 447.513 1.791 0 40 IDAB O=C(O)CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9306728 FQIYOJUCRRIIKC-CYBMUJFWSA-N 440.547 1.853 0 40 IDAB C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H](C)O1 12521240 BFGXWDGSPYATPS-STQMWFEESA-N 430.486 1.906 0 40 IDAB COc1cc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC 12790060 SBKOIOHIGPCUIV-UHFFFAOYSA-N 432.429 1.447 0 40 IDAB CC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)c1cccs1 14044499 QTYXVQXSJGZTNP-AWEZNQCLSA-N 427.573 1.910 0 40 IDAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)c3cnccn3)[nH]c(=O)c2C1 19342818 FMIJTPCDPISOKU-MRXNPFEDSA-N 436.497 1.797 0 40 IDAB CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(C)cc1)c(=O)n2C 19625726 DOPXQVILDQXAON-UHFFFAOYSA-N 437.500 1.833 0 40 IDAB CNC(=O)c1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(CC(=O)N(C)C)cc2)nc1C 19711153 MFBXNWKXNQWJOY-HXUWFJFHSA-N 444.557 1.906 0 40 IDAB O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 20739005 XVYUMHVHYWMOON-INIZCTEOSA-N 435.933 1.783 0 40 IDAB COc1ccc2c(CC(=O)OCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)coc2c1 23762919 QQFFXIZIADJFDY-UHFFFAOYSA-N 429.429 1.813 0 40 IDAB Cc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1C 27914518 SEWBXXQZSSMYSD-UHFFFAOYSA-N 430.530 1.777 0 40 IDAB Cc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCC3)N(C3CC3)C(=O)[C@H]24)no1 35289999 RDQVWFSCWYQCKD-RSQVHZFPSA-N 426.473 1.293 0 40 IDAB O=C(CN1CCN(C(=O)[C@@H](c2ccccc2)N2CCSCC2)CC1)N1CCCCC1 48302593 YIFJKNYMZJISDG-JOCHJYFZSA-N 430.618 1.933 0 40 IDAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1)C1CCOCC1 72321262 ZRMOWSRNEOGDLO-IFMALSPDSA-N 425.485 1.908 0 40 IDAB biogenic,in-vitro CN(C)C(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)CC1 95947885 CRUXWFYXTKGDOZ-LJQANCHMSA-N 443.548 1.195 0 40 IDAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 96011839 FDWPCBJBVKWANC-UHFFFAOYSA-N 443.460 1.322 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(C(N)=O)cc1 223218943 MKWNLUHZTYCRCF-UHFFFAOYSA-N 447.513 1.386 0 40 IDAB CCOc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224482025 KXBHPYSULNFIRO-UHFFFAOYSA-N 434.514 1.915 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccccc2)cc1 409005656 JATAVOFLEVXXHG-UHFFFAOYSA-N 429.542 1.910 0 40 IDAB COc1ccc(-c2ncnc(N3CC(N(C)S(=O)(=O)c4nccn4C)C3)c2F)cc1 1775974548 VCMHQAJLMHNAKK-UHFFFAOYSA-N 432.481 1.534 0 40 IDAB CCc1ccc(OC[C@@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 824787 SLMSZMQIKMGPNI-INIZCTEOSA-N 427.505 1.416 0 40 IDAB Cn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 931302 ORPBJJSTYAACEP-UHFFFAOYSA-N 435.575 1.981 0 40 IDAB CC(C)N(C(=O)NC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O 3166232 ACTROPICDXAUEH-UHFFFAOYSA-N 446.551 1.773 0 40 IDAB Cc1cccc(OC[C@@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 4386226 IRZILJYKBXLHDR-INIZCTEOSA-N 427.505 1.172 0 40 IDAB CSCC[C@H](NC(=O)C1CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 8918128 SJUGNYPEIVWOKQ-JSGCOSHPSA-N 431.555 1.461 0 40 IDAB biogenic C[C@@]1(CSc2ccccc2C(=O)NC[C@@H]2COc3ccccc3O2)NC(=O)NC1=O 9167201 FRBIYJMSRHXZGD-ASSNKEHSSA-N 427.482 1.947 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 9168385 ZVDWGTIHTPKEER-NRFANRHFSA-N 425.397 1.592 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3cccnc3)CC2=O)cc1 9469593 BKQOLBMNYFASEQ-KRWDZBQOSA-N 430.530 1.781 0 40 IDAB COc1c(F)c(F)cc2c(=O)c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cn(C3CC3)c12 9575312 MGCUKXPDRONPHN-LLVKDONJSA-N 426.441 1.882 0 40 IDAB CC(C)CNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9630677 VCZYMVCUDTXJGA-HNNXBMFYSA-N 445.925 1.518 0 40 IDAB CCc1nnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1 9632781 TUSPAGQRVFVHCO-UHFFFAOYSA-N 426.520 1.311 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cccnc1 9715267 NSDBIQJWISMAOR-SFHVURJKSA-N 448.520 1.587 0 40 IDAB O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 10060211 ZISWVKLLOZYGHL-INIZCTEOSA-N 438.527 1.556 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCC(C)CC2)c2c(C(N)=O)nc(-c3ccc(C)cc3)nc21 12276781 JYPOTSHKOMAZAQ-UHFFFAOYSA-N 436.516 1.946 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 12874007 KWKFEPAZYTYSCC-GHCZAOPSSA-N 449.463 1.481 0 40 IDAB biogenic O=C(CN1CCC(C(=O)N2CCCCC2)CC1)NCC(=O)Nc1ccc(F)c(F)c1F 13096843 OFAQUHSCLFUCCC-UHFFFAOYSA-N 440.466 1.883 0 40 IDAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC[C@H]1CCCO1 13556852 KOBULAIZZHXQEQ-KKVAFCGZSA-N 431.489 1.204 0 40 IDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1 13793019 USCDZOWWJJAJRE-HNNXBMFYSA-N 426.539 1.898 0 40 IDAB Cc1csc(=O)n1CCC(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 14239115 BWEICEWOOCHGKD-UHFFFAOYSA-N 431.392 1.324 0 40 IDAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1OC 15172307 VZYGZGHMPZGIJQ-UHFFFAOYSA-N 447.513 1.842 0 40 IDAB COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15329086 NUGNMFNWWFDWIA-UHFFFAOYSA-N 435.527 1.545 0 40 IDAB COc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 16516675 YNYSESQTTDNIIA-UHFFFAOYSA-N 434.514 1.833 0 40 IDAB CN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)c4nn(C)cc4-c4ccno4)C3)cc2n1 19289997 LVOOUPJFQHVTJO-CYBMUJFWSA-N 448.487 1.792 0 40 IDAB CN(Cc1nc(N2CCCC2)ncc1-c1ccccn1)C(=O)C[C@@H]1CCS(=O)(=O)C1 19586325 LTDZCXIRVLABDR-INIZCTEOSA-N 429.546 1.922 0 40 IDAB CN1CCN(C(=O)[C@@H]2CCC(=O)NC(=O)N2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589406 WNBQFMDMDXOFIT-RTWAWAEBSA-N 448.523 1.801 0 40 IDAB CN1CCN(C(=O)c2cc([C@H]3CN(C(=O)C(C)(C)O)CCO3)nc3ccccc23)CC1 19762510 XZSJTTPSTBNRHD-HXUWFJFHSA-N 426.517 1.293 0 40 IDAB CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 19821437 UDRIHXBXCAHQGU-UKRRQHHQSA-N 439.472 1.614 0 40 IDAB Cc1cc(=O)[nH]c(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 20198346 YODINSVODXENGI-GOSISDBHSA-N 444.538 1.876 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)CCc3ccccc3)CC2)cc1 22733011 XWFSSOSKWWWTMN-UHFFFAOYSA-N 431.558 1.751 0 40 IDAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22793144 YCQGBBAXCFYIBP-QFIPXVFZSA-N 439.560 1.805 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1ccccc1C(=O)NC1CCCC1 22927245 DVWJLSZBLWWNRJ-UHFFFAOYSA-N 441.576 1.538 0 40 IDAB CCCNC(=O)CN1CCC(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CC1 29218751 ICKISPGEBGOSIQ-UHFFFAOYSA-N 436.862 1.627 0 40 IDAB COC(=O)c1cccc(OCCNS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 30952821 DYFOXKQPMMISEZ-UHFFFAOYSA-N 440.861 1.815 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33435722 GGBYNLHNGPXDBB-ZNMIVQPWSA-N 435.933 1.814 0 40 IDAB Cc1occc1-c1nnc(SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1C 35361563 MNQCMQJNGVNTHR-UHFFFAOYSA-N 432.550 1.242 0 40 IDAB CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 35580966 UDRIHXBXCAHQGU-HIFRSBDPSA-N 439.472 1.614 0 40 IDAB CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccccc1OCC 57415829 ROWBZNWQXMJMCU-IBGZPJMESA-N 430.505 1.454 0 40 IDAB CC(C)CN1CCN(C(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(Cl)cc2)C3)CC1 61718507 QVPRKDIXWKQGLU-UHFFFAOYSA-N 432.912 1.487 0 40 IDAB COc1ccc2c(c1)NC1(CCN(C(=O)Cc3ccc4c(c3)OCO4)CC1)NS2(=O)=O 72327973 QLJIYHCONZWHDM-UHFFFAOYSA-N 445.497 1.689 0 40 IDAB CCN1CCN(C(=O)[C@@H]2CCC(=O)NC(=O)N2)[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 72351806 FEZCDAONZYVXBA-SFTDATJTSA-N 448.523 1.944 0 40 IDAB CC(=O)Nc1ccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccc(C)cc3)[C@H]2O)cc1 77264774 BSQRNABSMFSYAP-NJYVYQBISA-N 433.530 1.150 0 40 IDAB biogenic,in-vitro C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 105380503 OKERUZQAHHXNIF-SRPXWDDNSA-N 439.899 1.684 0 40 IDAB biogenic CCC(=O)N1CCc2cc(S(=O)(=O)Nc3nnc(SCC(=O)OC)s3)ccc21 223090542 URTOUVCKIIRGMT-UHFFFAOYSA-N 442.544 1.903 0 40 IDAB Cn1nc([C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)cc1CCOc1ccccc1F 257255569 KHZGAHWCXDMDIA-HXUWFJFHSA-N 441.463 1.488 0 40 IDAB COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524731486 ZPTTXZGJLXZIBW-INIZCTEOSA-N 446.456 1.029 0 40 IDAB biogenic COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524734184 GOQOEBSYDWOFIJ-HNNXBMFYSA-N 436.411 1.593 0 40 IDAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(S(=O)(=O)c4ccc5c(c4)CCO5)C3)n2)n1 585605400 DZJSDCZVTGSIRS-UHFFFAOYSA-N 441.513 1.301 0 40 IDAB CCOC(=O)c1ccc(-n2cc(Cn3ccn(-c4ccc(F)cc4)c(=O)c3=O)nn2)cc1 1775969147 ZFFRSFXQWJYWLD-UHFFFAOYSA-N 435.415 1.944 0 40 IDAB COc1ccc(-c2ncnc(N3CCN(S(=O)(=O)c4cn(C)cn4)CC3)c2F)cc1 1775972673 QPVFDDRXQDJADF-UHFFFAOYSA-N 432.481 1.536 0 40 IDAB CC(C)(C)Nc1nc(NC(C)(C)C)nc(N2CCN(c3ccc4nnnn4n3)CC2)n1 1092782 CBWCLNLMBBPSJJ-UHFFFAOYSA-N 426.533 1.452 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1 1363479 ATRCZJSPHUCMDO-MRXNPFEDSA-N 445.607 1.642 0 40 IDAB O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)N3CCOCC3)CO[C@H]12 4222872 AZBWBUBUPHBZQX-ZJIFWQFVSA-N 445.394 1.831 0 40 IDAB biogenic,in-vitro CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)C(=O)N1CCC[C@@H]1C(N)=O 4388797 GQMGPKYVBVSMLI-SIRPWMCASA-N 440.585 1.933 0 40 IDAB O[C@@H](CNCc1ccccn1)COc1ccc(OC[C@@H](O)CNCc2ccccn2)cc1 6475564 AINKPOUJTGSPRM-VXKWHMMOSA-N 438.528 1.536 0 40 IDAB Cc1cccc(-n2nnnc2SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 9492238 TWBUTBDFMKZHCZ-HXUWFJFHSA-N 437.485 1.561 0 40 IDAB NC(=O)C1CCN(C(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 9535785 XBTHNYCJLUVAES-XMMPIXPASA-N 434.496 1.400 0 40 IDAB COc1ccc(CNC(=O)[C@@H](C)N2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 9683095 ISYCDTVQVSFOSE-DMZKTXOQSA-N 425.441 1.896 0 40 IDAB CC(C)[C@H](OC(=O)c1ccccc1S[C@@H](C(=O)NC(N)=O)C(C)C)C(=O)NC(N)=O 9963312 POWPEOPILIVMCT-UONOGXRCSA-N 438.506 1.375 0 40 IDAB C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 10525993 JJNGAWHCBRERNW-CQSZACIVSA-N 433.486 1.355 0 40 IDAB CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 12276936 SMWDBPKQNHBCGZ-QMVSFRDZSA-N 433.301 1.047 0 40 IDAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12555336 PUTDBRGAQFNCFH-UHFFFAOYSA-N 445.497 1.383 0 40 IDAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)c1OC 12557295 RQEWUWIMWJCHQD-VOTSOKGWSA-N 442.471 1.250 0 40 IDAB Cc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)sc2c1 12946345 FVKBMLLEALHFFJ-UHFFFAOYSA-N 430.511 1.978 0 40 IDAB Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 12975195 VGQDWQJLOICDIT-SFHVURJKSA-N 437.587 1.915 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)N1CCCC[C@@H]1C 13228020 KVSRSLBTRNXDIQ-LBPRGKRZSA-N 426.452 1.530 0 40 IDAB COC(=O)C1CCN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 13647809 JKVWRYKQTMRBMT-UHFFFAOYSA-N 426.491 1.373 0 40 IDAB C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 16013445 JDIRXVFLIVGBPN-HZTDAHSYSA-N 443.862 1.781 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)c1 17063162 WZOISOXMGYMJEQ-UHFFFAOYSA-N 429.498 1.744 0 40 IDAB CCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c2ccccc12 18028689 UCZSTRCNVXWRFI-IYBDPMFKSA-N 435.546 1.577 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@@H](C(=O)OC)[C@@H]3C2=O)cc1 18130097 OGHTWSBACFWVHF-GVXVVHGQSA-N 448.478 1.534 0 40 IDAB COC(=O)[C@]1(C)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 19460593 VFOVZBMOVLHSID-RTXPOLOASA-N 438.436 1.545 0 40 IDAB Cc1c(CN2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4)cc3)C2)c(=O)n(C)c(=O)n1C 19577097 ZYTHLCSBBKUKAA-JOCHJYFZSA-N 446.551 1.850 0 40 IDAB CNC(=O)c1ccc(-c2ccc([C@@H]3CN(CC(=O)Nc4nccs4)CCO3)nc2)cn1 19693536 ZHKUSPWTVYIYBT-SFHVURJKSA-N 438.513 1.972 0 40 IDAB CNC(=O)c1ccc(-c2ccc([C@H]3CN(CC(=O)Nc4nccs4)CCO3)nc2)cn1 19693537 ZHKUSPWTVYIYBT-GOSISDBHSA-N 438.513 1.972 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C[C@@H]3C=CCC3)CC1)C2=O 19699384 GMLVTTGMNTVZPV-QGZVFWFLSA-N 430.549 1.903 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1F)c1ccccc1F 23511054 FLLGQWREOFICMV-UHFFFAOYSA-N 425.457 1.828 0 40 IDAB CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1CN(c1ccc(S(N)(=O)=O)cc1)C2=O 35326651 LCQFTVGMUDBDJQ-KRWDZBQOSA-N 432.889 1.984 0 40 IDAB COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(Cl)ccc1F)C(=O)OC 36569332 OWIXSENYGDBBLU-RHSMWYFYSA-N 438.843 1.964 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NC[C@@](C)(O)CC)CC2=O)cc1 72304430 KFZDODFSOWVISN-QRWLVFNGSA-N 425.551 1.347 0 40 IDAB CO[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccsc1 96097481 VFWHJWFVCZPNRR-KRWDZBQOSA-N 437.543 1.903 0 40 IDAB COc1ccc([C@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)c(C(=O)O)c1OC 96221567 INSLRYKPLZEVJT-AWEZNQCLSA-N 447.440 1.750 0 40 IDAB biogenic Cc1cccc(NC(=O)N2CCC3(CC2)O[C@@H](C(=O)N2CCOCC2)Cn2ccnc23)c1 96243715 UXUZXNODYUYNND-LJQANCHMSA-N 439.516 1.972 0 40 IDAB O=C1CC[C@H](C(=O)N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(CC2CC2)C3)N1 96263546 DTQFITVREUNFPR-QGZVFWFLSA-N 447.557 1.367 0 40 IDAB CN(C)c1cccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 97166193 OZYCRXPTHRFXLJ-UHFFFAOYSA-N 429.589 1.946 0 40 IDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100789214 IFGOVMJYCMDUSM-HOTGVXAUSA-N 432.480 1.529 0 40 IDAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222958888 KEKPAOSZNSTOCQ-GOSISDBHSA-N 443.525 1.775 0 40 IDAB COc1cccc(Cc2cc(C)nc([C@@H]3CN(C(=O)CN4CCNC(=O)C4)CCO3)c2)c1 257323586 WKZOOUBWOVOVCY-QFIPXVFZSA-N 438.528 1.321 0 40 IDAB CN(C)CCn1ccc(-c2nc(C(=O)NCCCN3CCN(C)CC3)c3ccccn23)c1 306140898 VGJGXJRZHFEYGB-UHFFFAOYSA-N 437.592 1.732 0 40 IDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Br)cc(Br)c2O)C1=O 408548556 IQIXKRUCRHQUFL-YCRREMRBSA-N 434.040 1.983 0 40 IDAB Cc1ccc(CN(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 408618231 FDTQDBCKEJIWFC-UHFFFAOYSA-N 445.585 1.943 0 40 IDAB O=C(Nc1ccc(-n2c(O)nnc2O)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 646176028 PNSHWSWNRUVKKC-UHFFFAOYSA-N 443.485 1.161 0 40 IDAB CN(C)[S@](C)(=O)=NCC1CCN(C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 1655055762 SPJCVLIAASMOHL-WHLCRQNOSA-N 431.624 1.584 0 40 IDAB CCOC(=O)CCn1c(=O)c2c(nc3n(CCc4ccccc4)c(C)c(C)n23)n(C)c1=O 9150065 APZSYWVAUKSWFU-UHFFFAOYSA-N 437.500 1.962 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(F)cc2)cc1 9806714 QMAINLHKFACPGX-INIZCTEOSA-N 435.477 1.742 0 40 IDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1 11858103 JPGNYWAPOJPJRJ-UHFFFAOYSA-N 438.483 1.649 0 40 IDAB COC(=O)C1CCN(S(=O)(=O)c2c(C)cc(N3CCCCS3(=O)=O)cc2C)CC1 12004384 HNWHMCHODMGZOK-UHFFFAOYSA-N 444.575 1.807 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)cc1 12868578 IXTOIXKPMSEABV-UHFFFAOYSA-N 443.525 1.542 0 40 IDAB CC(C)C[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(C)C 12883680 IBQRMVOFKXPEIX-XKTJCTHUSA-N 433.574 1.920 0 40 IDAB biogenic O=C(NCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1cccc(F)c1 12976031 HXIGLUPSMBXXQJ-UHFFFAOYSA-N 441.431 1.367 0 40 IDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 13057903 YFDOLTJSSJSINL-HXUWFJFHSA-N 430.486 1.343 0 40 IDAB C[C@H](OC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)Nc1ncc(Cl)cc1Cl 14707797 QANQQQYHCLCHBC-VIFPVBQESA-N 437.239 1.962 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccccc3F)CC2)cc1 17119040 JCKJZLONTZJUAM-UHFFFAOYSA-N 437.493 1.929 0 40 IDAB Cc1nc([C@H]2CCN(C(=O)CN3Cc4ccccc4C3)C2)ncc1C(=O)N1CCOCC1 19757765 ZSJOEYLKYMECFY-FQEVSTJZSA-N 435.528 1.589 0 40 IDAB COCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 20005139 PNYWKPQOYSXWFR-SFHVURJKSA-N 436.530 1.746 0 40 IDAB CC[C@@H](C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N 20793016 RKILLWFNNIHRGV-CYBMUJFWSA-N 440.595 1.696 0 40 IDAB COCCCN(Cc1ncc(Cl)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23357615 FDLNBVSXLBCCRW-UHFFFAOYSA-N 432.912 1.597 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cccc(F)c1 23514196 NYVCDBKKRVVJIX-UHFFFAOYSA-N 436.461 1.951 0 40 IDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)COC[C@@H]3CCCO3)CC2)cc1 23674755 CHCPIIQVBBNTRQ-PMACEKPBSA-N 440.606 1.847 0 40 IDAB Cc1ccc(CC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 24962635 LWHOYOGQCUDHRY-UHFFFAOYSA-N 444.557 1.302 0 40 IDAB CS(=O)(=O)NCCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 29530414 PRJZWUTZPQADBR-UHFFFAOYSA-N 425.580 1.363 0 40 IDAB CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1n1nc(-c2ccc(C)cc2)n(C(C)C)c1=S 35590900 VNGSVSLXZFOYFJ-ATIFRJIPSA-N 436.534 1.087 0 40 IDAB Cc1ccn2c(=O)cc(CS(=O)(=O)[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc2c1 40121916 SNJNVGZBXUCYAU-CQSZACIVSA-N 443.481 1.716 0 40 IDAB COc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1 41077653 QZUFBQHYAQIYTI-UHFFFAOYSA-N 426.520 1.985 0 40 IDAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)NCc1ccc2c(c1)OCO2 45970247 SQZRXNUBEZKCRP-UHFFFAOYSA-N 427.486 1.888 0 40 IDAB Cc1cccc(N2CCN(CCNC(=O)c3nc(N4CCOCC4)ncc3Cl)CC2)c1 48300018 OBKKZHMBBALBFB-UHFFFAOYSA-N 444.967 1.827 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)CCc2csc(NC(=O)c3cccs3)n2)CC1 70655562 XDEFSHZVBKOSIM-UHFFFAOYSA-N 428.561 1.493 0 40 IDAB Cn1nc([C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n(-c2ccccc2)c1=O 77100587 ZNCOSMAUFOSLHN-MRXNPFEDSA-N 433.468 1.885 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H](CO)c2ccccc2)c1 79019861 XHNDVXZZHZHBER-IBGZPJMESA-N 447.557 1.339 0 40 IDAB O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224323680 XZDXISXVJBWJNO-UHFFFAOYSA-N 426.477 1.439 0 40 IDAB O=C(Cn1c2c(c3cc(F)ccc31)CCCC2)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 257212023 CBOZZNCPMAGVRD-AKFKNWHVSA-N 445.535 1.314 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408652853 DDLNBMFQYOMEJQ-MWRXHXJCSA-N 428.441 1.375 0 40 IDAB C[C@@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1626136836 UYOOFWCOMCMALB-WVBUVRCRSA-N 425.504 1.897 0 40 IDAB CN(C)[S@](C)(=O)=NCC1CCN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 1655055760 SPJCVLIAASMOHL-HMILPKGGSA-N 431.624 1.584 0 40 IDAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(OCC(N)=O)cc2)nn1 1775976212 WIJGPXVXORWPHW-XYPWUTKMSA-N 447.561 1.997 0 40 IDAB Cn1c(=O)c2c(nc(N3CCCCCC3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 801714 YNARQTRGBVMTCM-MRXNPFEDSA-N 427.505 1.254 0 40 IDAB O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccccc2F)CC1 1344774 LIUCVGFQSJSGIQ-UHFFFAOYSA-N 433.447 1.465 0 40 IDAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)CC)c12 2121248 XNCFSPASXCGLFC-ZSEKCTLFSA-N 432.473 1.774 0 40 IDAB biogenic CC(C)=CC(=O)N[C@H]1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(N)=O)N(C(=O)C=C(C)C)C1 3838400 MMPDWCVVPBPBNF-ZCNNSNEGSA-N 440.544 1.217 0 40 IDAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)NC(N)=O)n2CC 6153635 NTHGSGWJOLZTJE-NSHDSACASA-N 427.552 1.762 0 40 IDAB COc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)O)C(C)C)CC2=O)cc1 8790218 IHWJGQUDIGPWGB-LJHODMEESA-N 431.489 1.265 0 40 IDAB biogenic O=C(NCc1ccco1)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCOCC3)cc2)C1 9233935 GQHZTOWHZRWYCG-MRXNPFEDSA-N 427.457 1.187 0 40 IDAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCCc3ccccc3)=C2)cc1OC 9290119 HFRSRBZHOWFSNO-UHFFFAOYSA-N 429.498 1.926 0 40 IDAB biogenic COc1ccc(OC)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 9584421 BLLBRPXYPKVRFV-JOCHJYFZSA-N 441.440 1.881 0 40 IDAB Cc1ccccc1NC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9633309 ULKSENDRUIPPMD-UHFFFAOYSA-N 436.461 1.951 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 9713083 WBOLXFHZIZKQCN-UHFFFAOYSA-N 446.529 1.410 0 40 IDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)N1CCCc2ccccc21 9963678 QHOIZOZGPJTZTI-UHFFFAOYSA-N 427.482 1.638 0 40 IDAB O=C(CNS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)NCc1ccc2c(c1)OCO2 9987924 QRROSOAXGWMLFG-UHFFFAOYSA-N 435.483 1.054 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1C 10274153 ZSUJDYRHKBJHPF-QGZVFWFLSA-N 441.532 1.481 0 40 IDAB Cc1nc(C2CCN(C(=O)C[C@@H]3SC(=O)N(C)C3=O)CC2)nc(N2CCOCC2)c1C 12142978 TWIWNBVJERBALU-INIZCTEOSA-N 447.561 1.720 0 40 IDAB Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(Cc3ccccc3)nc2n(C)c1=O 12323563 OHRHROJEKLSZMS-UHFFFAOYSA-N 425.514 1.333 0 40 IDAB CNC(=O)[C@@H]1CN(C(=O)CCc2c(C)nc3nc(SC)nn3c2C)c2ccccc2O1 12752989 XBHHAHYRTQBYTL-KRWDZBQOSA-N 440.529 1.936 0 40 IDAB CSCC[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14140399 ZVHNQCZQBTWLSR-JTQLQIEISA-N 441.000 1.024 0 40 IDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 14242445 LSBTZWZVDULUOO-MRXNPFEDSA-N 446.573 1.755 0 40 IDAB C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)NCc1ccc2c(c1)OCO2 14246587 KXLCNDFDNXLRDP-INIZCTEOSA-N 446.500 1.773 0 40 IDAB O=C(CN1CCCC1)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 19332520 YHOYQVWIKCDLKO-LJQANCHMSA-N 429.496 1.241 0 40 IDAB Cc1ncc(C(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)c(C)n1 19703145 YLWBRQFKBZYMQU-INIZCTEOSA-N 441.513 1.639 0 40 IDAB CN(C)c1ncc(CN2CCO[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cn1 19759757 WBSCRCSFNWOLGE-NRFANRHFSA-N 436.516 1.386 0 40 IDAB CCCN(CC(=O)c1c(N)n(CCC)c(=O)n(C)c1=O)Cc1nnc(-c2cccs2)o1 21472667 JGYSPEPYISDSJI-UHFFFAOYSA-N 446.533 1.746 0 40 IDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCN(C(=O)c2ccoc2)C1 24833868 ZXFMZMGSNOVUGO-INIZCTEOSA-N 447.513 1.791 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1C(N)=O 25463314 JZJCTGUQOWIMLD-UHFFFAOYSA-N 444.435 1.290 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)NC1CCN(CC)CC1)n2CC(C)C 29606221 HNTKJDMYGBBUAF-UHFFFAOYSA-N 446.596 1.876 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 32716704 KVILZQGLHKSWRT-HXUWFJFHSA-N 430.480 1.956 0 40 IDAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 33407919 UMPBOSVMJAMGIS-FYXHJSOBSA-N 438.461 1.788 0 40 IDAB CCS(=O)(=O)N(C)CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 40094797 UQEIIDHRLYNGDF-UHFFFAOYSA-N 431.580 1.263 0 40 IDAB CCOC(=O)N1CCC(NC(=O)[C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 40160995 DIWOLUOJCYXUNO-CYBMUJFWSA-N 437.493 1.568 0 40 IDAB COc1cccc(N2C(=O)CN(CCc3ccccc3OC)[C@H]3CS(=O)(=O)C[C@H]32)c1 57176041 IOVOXJCARYYTLZ-VQTJNVASSA-N 430.526 1.761 0 40 IDAB O=C(NCc1ccnc(Oc2ccccc2)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 57996128 IKRHFEJOFBTPQF-DLBZAZTESA-N 429.498 1.526 0 40 IDAB CCOC(Cn1cc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)nn1)OCC 58265838 PHVZFZWMHMNPCH-UHFFFAOYSA-N 444.580 1.615 0 40 IDAB COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 59283303 OSEPBYDIGCAOKG-LJQANCHMSA-N 437.496 1.548 0 40 IDAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)Cc2ccccn2)CC1 72335926 MSKCNEFZALAIAH-UHFFFAOYSA-N 445.545 1.060 0 40 IDAB CN1CCN(c2ccccc2CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC1 83881704 WJDOVLIRAMAKRL-CUWPLCDZSA-N 431.606 1.780 0 40 IDAB CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)CC1 96124150 YLWRZFNQEPCKKK-OAHLLOKOSA-N 428.497 1.011 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H]3C=CS(=O)(=O)C3)CC2)cc1 101495434 ZUCVYEBWIGKQGX-OWCLPIDISA-N 442.559 1.207 0 40 IDAB COC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)CC1 220239984 ARANMGQBTWGHEM-ZDUSSCGKSA-N 428.507 1.270 0 40 IDAB COc1cccc(OCCNC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c1 223655181 WDDHPZIYGOYYLC-UHFFFAOYSA-N 438.502 1.674 0 40 IDAB Cn1c(=O)c2c([C@@H]3CCCN(C(=O)[C@@H](N)Cc4ccc(F)cc4)C3)ccnc2n(C)c1=O 257236704 HDIAKTKWCDBWMW-QAPCUYQASA-N 439.491 1.047 0 40 IDAB Cc1n[nH]cc1C(=O)N1CCN(C)[C@H](C(=O)N2CCC(Oc3ccccc3F)CC2)C1 257342938 ZQRQHELDVMFQDL-IBGZPJMESA-N 429.496 1.683 0 40 IDAB O=C(c1ccno1)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2C1 306144463 ZGBJGVPEYMQOKS-RDJZCZTQSA-N 426.454 1.546 0 40 IDAB COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1 408614923 JURJVJNZAZDCQQ-LJQANCHMSA-N 439.512 1.887 0 40 IDAB CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)CC1 409193181 DSCQAUBHZKJZCV-HNNXBMFYSA-N 426.535 1.944 0 40 IDAB COc1ccnc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)CC2)n1 511817251 KYCZWPAFAQANBE-KRWDZBQOSA-N 449.515 1.563 0 40 IDAB O=C(c1cnc2nc(O)nc(O)c2c1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 512109310 YBBZGBXGRSDUED-UHFFFAOYSA-N 437.500 1.937 0 40 IDAB O=C1CN(C(=O)CN2CCCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2N1 512533908 KAUJKKYDPDNYQU-UHFFFAOYSA-N 428.514 1.368 0 40 IDAB COc1cc(C)c(S(=O)(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)cc1C 1888930590 NKAIVRVHWXCQFS-IYBDPMFKSA-N 428.518 1.507 0 40 IDAB COCCOC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 2326619 PWONPHVFKJTSOJ-UHFFFAOYSA-N 441.469 1.607 0 40 IDAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NC(=O)NCc1ccccc1 8720502 KXRBFWARLQTMRK-UHFFFAOYSA-N 434.543 1.984 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 9493345 XBUQLRXOLWWYRX-UHFFFAOYSA-N 440.499 1.417 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 14000223 FDYPDINVJWTTMB-QGZVFWFLSA-N 441.532 1.716 0 40 IDAB O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCN(C(=O)C2CC2)CC1 14140137 LNMNDVIPFMTVRM-UHFFFAOYSA-N 433.555 1.921 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]12 15229268 PNMGKNIZLDIVSS-ZYOFANERSA-N 427.409 1.545 0 40 IDAB CN(C)c1cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc(-c2cccnc2)n1 19290792 XCRHGOQVLFJMRY-MRXNPFEDSA-N 427.534 1.906 0 40 IDAB O=C(Cn1cccnc1=O)N[C@@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 19403637 YDHMVDDOMPEMST-SFHVURJKSA-N 438.463 1.166 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3cccs3)[nH]c(=O)c2C1 19592895 LSOPFTKMAKAPDX-KRWDZBQOSA-N 430.530 1.659 0 40 IDAB Cc1c(C(=O)N2CCO[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)cnn1C 19759739 XTYDTPXSXSVQBP-OAQYLSRUSA-N 437.500 1.555 0 40 IDAB CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)CCNC3=NC(=O)CS3)C2)nc2ccccc12 19761484 CPXBKHRWWYITBU-CQSZACIVSA-N 439.541 1.862 0 40 IDAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)c2c(nc(N3CCOCC3)[nH]c2=O)N1 20800185 FXFGDPMOICBAPY-SNVBAGLBSA-N 438.271 1.978 0 40 IDAB CN1CCN(C(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 22232739 LAGCSVTXXNAXNR-UHFFFAOYSA-N 435.521 1.945 0 40 IDAB O=C1C(=O)N(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1Cc1ccccc1 22796730 GMJGRZCGFVOXSV-UHFFFAOYSA-N 436.468 1.481 0 40 IDAB O=C(NCCc1cn2ccccc2n1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 23320104 JROPVYRIHPYMSQ-SFHVURJKSA-N 428.514 1.764 0 40 IDAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 26844534 LYKGACGRAZBFIW-IEBWSBKVSA-N 430.549 1.980 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)CNC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CC2 32101545 LCXDEDKVQBESDH-SFHVURJKSA-N 437.496 1.758 0 40 IDAB biogenic C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 32747316 XNVHIHBVIYLFKZ-LLVKDONJSA-N 446.872 1.518 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 32841937 SBJBLMZURAFXCH-UHFFFAOYSA-N 435.502 1.528 0 40 IDAB Cn1c(-c2cccs2)nn(CCNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1=O 36708599 QBHPXPPWADBGTE-UHFFFAOYSA-N 425.470 1.394 0 40 IDAB O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 48278517 IROXBXLUHXQRAT-UONOGXRCSA-N 434.436 1.280 0 40 IDAB CCOc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 70924510 CCAFZOHMSFVKOR-UHFFFAOYSA-N 439.559 1.860 0 40 IDAB CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)CN(C(=O)c3ccco3)CC2)C1 306123330 AKKTVKDLHVGQQA-QFIPXVFZSA-N 425.489 1.500 0 40 IDAB COc1cccc(-c2nc3n(n2)CCn2c(C(=O)NCCc4cccnc4)cc(=O)n2-3)c1 306129140 HVOXJYUUDXBNDV-UHFFFAOYSA-N 431.456 1.287 0 40 IDAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(S(=O)(=O)c3cccnc3)C[C@H]1CO2 1772594571 MAQMOBWILBQFPS-KRWDZBQOSA-N 430.530 1.911 0 40 IDAB Cn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cccc(Cl)c5)C[C@H]4C3)ncnc21 1888930398 FZAUFQSCQMJVRQ-GASCZTMLSA-N 432.937 1.915 0 40 IDAB O=C(NC[C@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 3027801 GWEAJEUKUIHOBR-QGZVFWFLSA-N 443.953 1.642 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 3315047 QNTBVECHYUAXAN-UHFFFAOYSA-N 440.525 1.743 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(-n4cnnn4)c3)cc2)C[C@H](C)O1 9256502 VLPJZIWBRHIARX-GJZGRUSLSA-N 442.501 1.713 0 40 IDAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 9313714 OUPLQZTYGORCOM-CQSZACIVSA-N 426.539 1.906 0 40 IDAB Nc1nccnc1C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 9579215 JZHPEBIYKRFBSI-UHFFFAOYSA-N 449.842 1.878 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC[C@@H]3CCCO3)nc(CC(C)(C)C)nc2n(C)c1=O 11758102 IEVLFKPXGCHFAA-LBPRGKRZSA-N 435.550 1.003 0 40 IDAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 13018679 HFERUWDRFYWWRJ-FQEVSTJZSA-N 443.525 1.793 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)C1=O 14242443 WTBFUVKTFJFIFK-QFIPXVFZSA-N 441.488 1.520 0 40 IDAB CC1(C)CC(NC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC(C)(C)N1 20716211 KVUXYOXPQYODJV-UHFFFAOYSA-N 439.560 1.878 0 40 IDAB NS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(Cc3ccccc3F)CC2)cs1 22747997 ZXMAJROLUXATEB-UHFFFAOYSA-N 441.506 1.036 0 40 IDAB CC(=O)Nc1cccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 25046912 DGERINMRYWMQNO-UHFFFAOYSA-N 432.502 1.717 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccs2)CC1 35301241 VAJZXJZTYCUXHN-GOSISDBHSA-N 425.601 1.861 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)OCc2cc(-c3cc4ccccc4o3)on2)n(C)c1=O 38767986 WXPQKADXAGCPEE-UHFFFAOYSA-N 435.396 1.578 0 40 IDAB Cc1ccc(NC(=O)N[C@H]2CCCCNC2=O)cc1NC(=O)N[C@@H]1CCCCNC1=O 40149911 CISJWEXZCQCCSA-JKSUJKDBSA-N 430.509 1.575 0 40 IDAB O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCN(C(=O)C2CC2)CC1 58279230 JALBLYHQRGXONK-UHFFFAOYSA-N 432.952 1.753 0 40 IDAB CCN1CCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccc(OC)cc2O3)CC1 72327494 RUDBQLNSGWMOCE-HJPURHCSSA-N 444.532 1.079 0 40 IDAB O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)NCc1ccc(F)cc1 98213075 NUKWTBQWYVBIJC-UHFFFAOYSA-N 427.411 1.295 0 40 IDAB O=C1[C@@H]2[C@@H](C(=O)N1CCN1CCN(S(=O)(=O)/C=C\c3ccccc3)CC1)[C@H]1C=C[C@H]2C1 100839319 CZWYSKQUGLIDLE-VHLQTHKMSA-N 441.553 1.412 0 40 IDAB O=C(N[C@H]1C=CS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 101499520 OXJJHGXTIMWYAZ-LZWOXQAQSA-N 446.978 1.852 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 105377009 PPCAFGJIMNCBIO-MGXIVBFVSA-N 435.480 1.305 0 40 IDAB biogenic COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCN2CCOCC2)cc1 408710205 RXXUZSGVZUMBSR-UHFFFAOYSA-N 440.500 1.012 0 40 IDAB O=S(=O)(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(Cl)s1 575607400 SVFZEUCEXLNWNL-UHFFFAOYSA-N 444.970 1.502 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)cc1C 1565519106 CAPYWRQLTBQDNV-UHFFFAOYSA-N 428.518 1.828 0 40 IDAB CN1C(=O)COc2ccccc2CC=CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cccnc1=O 1615525827 MKXOEWASILTHEN-WOJBJXKFSA-N 436.512 1.643 0 40 IDAB CNC(=O)C[C@H]1C(=O)N(c2ccc(OC)cc2)C(=S)N1NC(=O)c1cccc(F)c1 1240515 AZHZGJYNZSPKSW-INIZCTEOSA-N 430.461 1.618 0 40 IDAB O=C1NCCC[C@@H]1NC(=O)[C@H]1CN(C(=O)c2cccs2)CCN1C(=O)c1cccs1 5414681 PQNYTNYUGLDLEG-UONOGXRCSA-N 446.554 1.171 0 40 IDAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ncnc2ccccc12 8692520 GCHARMKFSQRDDL-UHFFFAOYSA-N 442.497 1.977 0 40 IDAB NC(=O)c1ccsc1NC(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 9834594 DDMNYBFBPGNQGS-UHFFFAOYSA-N 430.486 1.865 0 40 IDAB CC(=O)Nc1nonc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C 9878014 QQFTZMOTUJQMNJ-UHFFFAOYSA-N 431.434 1.326 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(C)c(C)c2)cc1 10000110 BSBNRJIELHCEDQ-UHFFFAOYSA-N 432.498 1.432 0 40 IDAB Cc1cc(O)c(C(c2cccc(F)c2)c2c(O)cc(C)n(CCO)c2=O)c(=O)n1CCO 10217762 KSMSLORYDYWKLO-UHFFFAOYSA-N 444.459 1.342 0 40 IDAB O=C(NCCc1ccccc1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031118 CTHAPAYJCZOFNI-MRXNPFEDSA-N 425.503 1.759 0 40 IDAB O=C(/C=C/c1cccs1)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OC[C@H]1CCCO1 12136990 FFXBJRVYLWZDFZ-XPHWWTOTSA-N 437.543 1.075 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cccnc1-n1cncn1)n2CC 12525508 VWOPPRBCFQVOJH-UHFFFAOYSA-N 438.448 1.039 0 40 IDAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21 12881291 ZLMDCMWBCPSBAR-ZDUSSCGKSA-N 431.470 1.694 0 40 IDAB CCc1cccc(OC[C@H](O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)c1 13990337 ODMMUERYFWVYOY-GFCCVEGCSA-N 437.294 1.199 0 40 IDAB Cc1nc(COc2ccccc2C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cs1 14083366 MDZMJZFJBJNUNE-QGZVFWFLSA-N 435.571 1.975 0 40 IDAB COC(=O)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c2ccccc2n1C 18194529 GTTXXZFBELVVSE-UHFFFAOYSA-N 449.445 1.283 0 40 IDAB CCn1cc(C(=O)N2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)c(C)n1 19524465 WHLAAMCCQQMRFA-RTBURBONSA-N 439.564 1.982 0 40 IDAB CN(C)c1cc([C@@H]2CCCNC2)nc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)n1 19709967 NOHHGQZZOCJBJB-OAHLLOKOSA-N 447.561 1.602 0 40 IDAB COc1ccccc1N1CCN(C(=O)CN2CCC3(CC=CCN(C)C3=O)CC2)CC1 19744751 KPTVKWAHPKDASL-UHFFFAOYSA-N 426.561 1.844 0 40 IDAB C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 23752293 LNZYMPBJZCGNNZ-LBPRGKRZSA-N 439.438 1.078 0 40 IDAB CN(C)c1nc(N)nc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 24574340 PETHTGNLHINROE-UHFFFAOYSA-N 446.364 1.333 0 40 IDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21 25748775 TUOBCIHFBPEVNM-UHFFFAOYSA-N 436.468 1.396 0 40 IDAB COc1ccc(OC)c(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)c1 32946693 BCDDLZWBVWJUKS-UHFFFAOYSA-N 436.515 1.969 0 40 IDAB CCOC(=O)CN1CCN(c2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(N)n2)CC1 71771734 OWYCMCGIBSEMHI-UHFFFAOYSA-N 447.561 1.700 0 40 IDAB CN(C)C(=O)CN1C(=O)CO[C@H](c2ccc(NC(=O)Nc3ccccc3)cc2)[C@H]1CO 72321303 HNICNNPTVUZWPW-WIYYLYMNSA-N 426.473 1.680 0 40 IDAB biogenic,in-vitro CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)Cn2ccnc2)CC1 72335843 MYEJDPOTHRMWIJ-UHFFFAOYSA-N 426.502 1.545 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2cccc(C)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 83260827 LERJREBRRWXADA-FDKIHUSFSA-N 437.445 1.030 0 40 IDAB biogenic CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3c(C)nn(C)c3C)CC2)cc1 95474799 JPGXCYLVMLULQL-UHFFFAOYSA-N 447.561 1.712 0 40 IDAB O=S(=O)(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc2c(c1)CCO2 96025929 CRSQYXAEVPSDCQ-UHFFFAOYSA-N 437.543 1.396 0 40 IDAB COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OC)cn1CC(=O)NC1CC1)CC2 96118081 HANVTBMGBYJUTG-UHFFFAOYSA-N 427.501 1.711 0 40 IDAB biogenic O=C(NCC1CC1)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3)CC2)O1 96243599 LBVKVUNVDFGBSP-GOSISDBHSA-N 430.530 1.488 0 40 IDAB COc1ccc(N(CC(=O)NCCOc2ccccc2OC)S(C)(=O)=O)cc1OC 223659565 IHSSOHLJSMQSAR-UHFFFAOYSA-N 438.502 1.674 0 40 IDAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)[C@@H]2CCCN2C(C)=O)CC1 257222375 DTBDPMCCEPPSKU-JTOYRKQZSA-N 429.561 1.833 0 40 IDAB CNC(=O)[C@H]1CN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)CCN1Cc1ccccc1 257268762 MNATUISEPGZLCU-OAQYLSRUSA-N 432.528 1.957 0 40 IDAB COc1cc(CN2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCO 257290674 QDWSPZDRRIOMKL-RUZDIDTESA-N 441.572 1.825 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)COc3cccc4cccnc34)CC[C@@H]2O)CC1 257331942 XUZIBDGLFCNVGY-PMACEKPBSA-N 426.517 1.130 0 40 IDAB O=C(c1ccoc1)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@H]2C1 306144489 ZGMOFTDRBPVEQQ-IRXDYDNUSA-N 426.454 1.546 0 40 IDAB CCOC(=O)N1CCC(O)(CN2[C@@H](CNC(C)=O)C[C@]3(C)[C@H]2CCCC[C@]3(C)O)CC1 585285070 VTWBTODYQNHUCY-CZAYHTPWSA-N 439.597 1.880 0 40 IDAB NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3cccs3)C(=O)N12 2967747 RYVTVDIICGBXAC-AWEZNQCLSA-N 427.511 1.632 0 40 IDAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O 3593680 STADJFLLGCQLTG-NRFANRHFSA-N 444.875 1.685 0 40 IDAB COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)[C@H](CO)[C@@H]2C(=O)O)OCO4)cc(OC)c1OC 4782903 XRBSKUSTLXISAB-NWTFUFRBSA-N 432.425 1.929 0 40 IDAB NC(=O)c1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1 8768841 KGNUFFZOGVRRMU-UHFFFAOYSA-N 440.510 1.916 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc1OC 9671990 CXAVNOYHHFZZOK-UHFFFAOYSA-N 442.497 1.794 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)nc1N 9987204 PPSWWNUDDRGANC-GFCCVEGCSA-N 430.486 1.849 0 40 IDAB NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1 11695260 UKBNVSAODIEWQQ-UHFFFAOYSA-N 441.488 1.893 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c(-c2ccncc2)n1 12232165 UMMPTOVFVODOPV-UHFFFAOYSA-N 443.504 1.697 0 40 IDAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 12532941 FLVOKCBEQCUJRT-GOSISDBHSA-N 444.557 1.175 0 40 IDAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SC[C@H]1CN(Cc2ccccc2)CCO1 12595213 TYNIQAMBSVHNCV-QZTJIDSGSA-N 436.603 1.785 0 40 IDAB NC(=O)c1cc(NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)cc(C(N)=O)c1 13026689 USNQVUNJAZPABE-UHFFFAOYSA-N 445.284 1.108 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC(CC)CC)CC2)cc1 13056768 GMHKYDPXSBVDGB-UHFFFAOYSA-N 425.551 1.474 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(SCC(=O)Nc3ccc(CC#N)cc3)nc2)CC1 15513037 HFYGJZXUWNJQSW-UHFFFAOYSA-N 445.570 1.815 0 40 IDAB Nn1c(SCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1Cl 17653534 FNURHPFKJICQHP-GFCCVEGCSA-N 441.966 1.583 0 40 IDAB CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 17861198 QPKYNFZESRYGAT-UHFFFAOYSA-N 433.574 1.657 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCN(Cc4cccc(F)c4F)C3)[nH]c(=O)c2C1 19572740 AAKOEEAFUQZGAR-AWEZNQCLSA-N 438.500 1.745 0 40 IDAB Cc1c([C@@H](C)NC(=O)Cn2cccc(C(=O)NCc3ccc(F)cc3)c2=O)cnn1C 19750597 OQJFLMXUEJQJAO-CQSZACIVSA-N 425.464 1.837 0 40 IDAB Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C)CC3)c(=O)[nH]c2cc1C 19940813 QHXACNILJWOAPW-RXVVDRJESA-N 437.548 1.647 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 20744415 DDXBPKYHEBVAKV-KRWDZBQOSA-N 431.514 1.138 0 40 IDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)C1 22132283 DGNFQPUWYDAUAC-WOJBJXKFSA-N 439.604 1.949 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1OC 22246647 JTBUXTXYQKENMM-GOSISDBHSA-N 434.514 1.452 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2cc(OC)c(OC)cc2N(C)S(=O)(=O)CC)CC1 22252880 ZZOSAKPMYVPRKU-UHFFFAOYSA-N 442.534 1.905 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)N2CCC(C)CC2)cc1 32957412 RILHPKUARMVEMK-OAHLLOKOSA-N 439.534 1.456 0 40 IDAB CCn1cc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@@H]2C(=O)OC)c(C)n1 33876059 XKWVEXZLFVLRPN-XOJZRNGFSA-N 438.509 1.384 0 40 IDAB Cc1cc(=O)c(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c[nH]1 95472930 MDUUMKJFBYCXHJ-UHFFFAOYSA-N 425.894 1.249 0 40 IDAB COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(OC)cc2OC)o1 96231165 YUSIFJWFYMRSAB-QGZVFWFLSA-N 433.457 1.890 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222814262 ULBMXCDRHKGNOY-LZQZEXGQSA-N 427.501 1.500 0 40 IDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)s1 225096995 MNNUSVQXQMQDBA-UHFFFAOYSA-N 431.521 1.082 0 40 IDAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1OC 225161418 FWHIQGUDBZJCOU-UHFFFAOYSA-N 434.470 1.844 0 40 IDAB COCCC(=O)N1CC[C@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306135847 PCPILOBIQOJNBU-NRFANRHFSA-N 431.514 1.673 0 40 IDAB CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)CC1)N1CCCC1=O 533604007 XJSCHKPQCGHIMD-GPHNJDIKSA-N 448.608 1.824 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](CO)[C@@H](CCO)C3)c2)cc1 1159697327 NKRMBANLNLUNRH-IRXDYDNUSA-N 448.541 1.867 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(Cc1cnn(C)c1)C2 1549166608 GQXJPLRCBZGXMI-OAQYLSRUSA-N 437.544 1.481 0 40 IDAB C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1617374148 YDPMUDYQIPWYCY-HNAYVOBHSA-N 442.491 1.478 0 40 IDAB O=C(N[C@H]1CCS(=O)(=O)C1)C1=NO[C@@]2(CCCN(Cc3ccc(F)cc3F)C2)C1 2056226699 XYZNTTXKMIANKQ-KXBFYZLASA-N 427.473 1.379 0 40 IDAB CCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C 6162139 DMPVTNDEDPMLLY-UHFFFAOYSA-N 431.518 1.973 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCCCC1)OCO3 6445184 ZRNVWJMCEYFMAK-YWZLYKJASA-N 438.488 1.998 0 40 IDAB CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2cccc(OC)c2)c(=O)c3=O)cc1 8849409 JPWJFLLSLOXTLG-UHFFFAOYSA-N 437.456 1.603 0 40 IDAB O=C(C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1)N1CCN(c2ccccn2)CC1 8991009 VFPCQZZHFYHTGV-UHFFFAOYSA-N 426.912 1.967 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3c2nnn3Cc2ccccc2)CC1 9416738 MKMRUVNSFIFOOU-UHFFFAOYSA-N 441.517 1.662 0 40 IDAB Cc1cnc(NC(=O)CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)s1 9576006 VNWISMPTDQBTNX-ZDUSSCGKSA-N 440.522 1.746 0 40 IDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1Cl 9633786 NUYOWRGJDGUJCM-NSHDSACASA-N 429.347 1.307 0 40 IDAB COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030703 BAYWUIRWFNGNFG-HNNXBMFYSA-N 437.495 1.686 0 40 IDAB CC[C@@H](C)C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 12639093 LWAWCRLAVPGIQD-CYBMUJFWSA-N 446.939 1.710 0 40 IDAB O=C(N1CCOCC1)N1CCN(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)CC1 12813150 YCVSETIEBFQUCU-QHCPKHFHSA-N 441.532 1.187 0 40 IDAB CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)N[C@@H]1C 13165091 OZLMLFXUOHZEDE-OAHLLOKOSA-N 443.500 1.909 0 40 IDAB COC(=O)c1ccc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(F)cc54)c(=O)n3C2)cc1 13592507 LRTXBTFBOZHRQC-MSUUIHNZSA-N 438.440 1.041 0 40 IDAB CCn1nccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)C(C)(C)C)[nH]c(=O)c2C1 19524154 MQDDEXCOFQLVKI-MRXNPFEDSA-N 426.521 1.894 0 40 IDAB O[C@H](COC[C@H]1COc2ccccc2O1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22030665 GUHDTWDLNKNVAW-PMACEKPBSA-N 442.512 1.750 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)CCN1 32631719 OLWNTAQNWMPTRU-UHFFFAOYSA-N 429.907 1.261 0 40 IDAB CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(CC(=O)N(C)C)CC2)C1 72380178 HLYTVLJNVNGDJM-HXUWFJFHSA-N 428.577 1.611 0 40 IDAB O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)Nc1ccc(F)c(F)c1 98213210 XQNUJOXTOPXBPH-UHFFFAOYSA-N 431.374 1.757 0 40 IDAB Cc1cc(N2CC[C@](O)(CNC(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)ncn1 257336197 YNMXJXQZNXBBOF-DEOSSOPVSA-N 441.551 1.936 0 40 IDAB CS(=O)(=O)N1C[C@@H](C(=O)NC[C@H]2COc3ccccc3O2)Oc2ccc(Cl)cc21 260910176 XBLKHFGPSLHDDS-UGSOOPFHSA-N 438.889 1.823 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408655003 HDZPWFAOMLDXPD-JCDILYBXSA-N 425.441 1.322 0 40 IDAB Cc1ccc(-n2c(=O)c3cc4c(=O)n(-c5ccc(C)cc5O)c(=O)c4cc3c2=O)c(O)c1 820918 XVDZHGMSNCQEEL-UHFFFAOYSA-N 428.400 1.919 0 40 IDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(I)cc1 3543841 QTSYCSPJRHXMKT-UHFFFAOYSA-N 441.225 1.963 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(CC)cc2)n(C)c1=O 8653903 KUEMEEPYQITPHK-AWEZNQCLSA-N 425.489 1.810 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)C(=O)NC3CCCC3)C2)cc1 9134309 KHJORIAWKDCXIB-JKSUJKDBSA-N 437.562 1.659 0 40 IDAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1 9600272 HHHIWLHUVRKHSJ-QGZVFWFLSA-N 437.905 1.120 0 40 IDAB CCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 9707778 TWGKUJVKQIJRMY-UHFFFAOYSA-N 435.527 1.798 0 40 IDAB O=C(NCCc1cnn(-c2ccccc2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 11556085 SKHSIPUATZMSQE-UHFFFAOYSA-N 440.525 1.866 0 40 IDAB CCn1cc([C@@H]2C[C@@H](C(=O)NCc3ccc(Cl)cc3)N(C)S(=O)(=O)N2)c(C)n1 12130633 MDFQXZLODDQNBA-IRXDYDNUSA-N 425.942 1.761 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(Cc3ccncc3)CC2)cc1 12533816 BIFZWNFXAZMBKN-OAQYLSRUSA-N 444.557 1.588 0 40 IDAB COc1ccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 13010763 GUYLAWVAHFZLDD-HNNXBMFYSA-N 439.468 1.916 0 40 IDAB COc1cccc(-n2c(=O)[nH]c(O)c([C@@H]3NCCc4c3[nH]c3ccc(OC)cc43)c2=O)c1 16996542 CMISKXBIKZBGPM-FQEVSTJZSA-N 434.452 1.965 0 40 IDAB biogenic Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)C2=O)cc1 17099509 UCOUGHNJGNQGCD-NQIIRXRSSA-N 435.480 1.611 0 40 IDAB Cc1ccc2c(c1)C(=O)NCC1(CCC(C(=O)NCCN3C(=O)CSC3=O)CC1)O2 19219074 AFDBKKTYZUBFIM-UHFFFAOYSA-N 431.514 1.858 0 40 IDAB CC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccc(C)cc3)CC1)C2=O 19699340 ZNYSUMROGPKHMS-UHFFFAOYSA-N 426.517 1.461 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCO2 20459234 UKFPDAHSDLFLEV-UHFFFAOYSA-N 431.470 1.947 0 40 IDAB COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)s1 21011356 HYISNGVBTSSSPS-UHFFFAOYSA-N 447.502 1.362 0 40 IDAB COC(=O)c1c(NC(=O)CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)sc2c1CCC2 22194575 GCFGWHDYHVHHOG-ZDUSSCGKSA-N 434.562 1.247 0 40 IDAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)c2ccc(F)cc2)CC1 22776840 VUZYPZIOSLLQNZ-NRFANRHFSA-N 427.524 1.935 0 40 IDAB O=C1N[C@H](CCc2ccccc2)C(=O)N1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 29363306 VBCNOKUBNRNHOX-RTBURBONSA-N 447.557 1.498 0 40 IDAB O=C1N[C@H](C(=O)N2CCN(Cc3ccccn3)CC2)CS[C@@H]1Cc1ccccc1F 32823376 CJAYATVHYPAZTB-VQTJNVASSA-N 428.533 1.708 0 40 IDAB O=C(c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)N1CC[C@H]2CCCC[C@H]2C1 33028337 PEKWXEMBVPWZPH-BPQIPLTHSA-N 440.587 1.804 0 40 IDAB Cc1ccnc(NC(=O)C2CCN(CC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)c1 40149596 AFPKGPGBCIVGTA-UHFFFAOYSA-N 442.520 1.326 0 40 IDAB O=C(CSC[C@@H](O)[C@H](O)CSCC(=O)Nc1nccs1)Nc1nccs1 40546177 DWNVBUNXOFHDRL-NXEZZACHSA-N 434.590 1.365 0 40 IDAB COC(=O)C1CCN(C(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 44914723 LFONJVLPOJCBTB-INIZCTEOSA-N 430.910 1.669 0 40 IDAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCCCN(C(C)C)S(C)(=O)=O 48354066 DTIXJMTZCWRWGZ-QGZVFWFLSA-N 426.518 1.081 0 40 IDAB COc1ccc(CN2CCN(c3ncc(S(N)(=O)=O)s3)CC2)c(OC)c1OC 58175036 RHTTVOBMROGEQP-UHFFFAOYSA-N 428.536 1.139 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C(=O)N2 64965698 ZESQCIQJELVOIB-UHFFFAOYSA-N 441.509 1.882 0 40 IDAB O=C1CCC(=O)N1CCN1CCN([C@@H]2CCN(c3ccccc3OC(F)F)C2=O)CC1 78969424 NOPBTTJJCSEPKA-MRXNPFEDSA-N 436.459 1.160 0 40 IDAB O=c1occ(CN2CCSCC2)c(O)c1CN1CCn2c(nnc2C(F)(F)F)C1 79495312 JYFQZXHKEZUWFH-UHFFFAOYSA-N 431.440 1.520 0 40 IDAB O=C(NCCNS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1ccccc1Cl 94993010 WUOPSTZTYLKMSS-UHFFFAOYSA-N 439.906 1.378 0 40 IDAB COc1ccc(CCN2C[C@@]34CN(C(=O)c5cc(C)on5)C[C@@H](C[C@@H]3S2(=O)=O)O4)cc1 96146032 HCIMSDYPLVROBZ-LMNJBCLMSA-N 447.513 1.232 0 40 IDAB CC(C)NC(=O)N1CCN(c2ccc3ccc(C(=O)NCCN4CCOCC4)cn23)CC1 96156021 YARLPAWOKJQVDH-UHFFFAOYSA-N 442.564 1.241 0 40 IDAB COc1cccc(CCN2C[C@H]3CCN(C(=O)c4ccncn4)CC[C@H]3S2(=O)=O)c1 96263734 TZUIKOKQMIQQAJ-YLJYHZDGSA-N 430.530 1.594 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccc(F)cc1 224714985 LRRMNLMDLHKTCM-UHFFFAOYSA-N 435.521 1.740 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 585283768 UNXDENWGWFURKI-OAQYLSRUSA-N 444.475 1.390 0 40 IDAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(S(=O)(=O)c2cccc(F)c2)CC1 1772595932 TYXUEJRADCGWHN-LJQANCHMSA-N 436.553 1.175 0 40 IDAB COc1cccc2c1O[C@@]13CCCC[C@@H]1[C@H]2[C@H](S(=O)(=O)N1CCN(C)CC1)C(=O)N3 1888999958 CEWHUCYENCMFMD-UCKNYWNBSA-N 435.546 1.133 0 40 IDAB COc1cc2cc(CN(CCCO)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2cc1OC 6239387 ZSFFNYMOPBDDTC-MRXNPFEDSA-N 435.546 1.783 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccc(OC)cc1 9183794 GYCCIRBUWKNYKX-ROUUACIJSA-N 438.488 1.014 0 40 IDAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 9218619 VDQNPPUIUSARPH-ORAYPTAESA-N 439.921 1.285 0 40 IDAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1cccnc1 9303207 XXTIGXRVCQVXNU-GJZGRUSLSA-N 434.493 1.765 0 40 IDAB CC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 9638234 GRAINVVLCVXAQV-NRFANRHFSA-N 429.542 1.928 0 40 IDAB O=C(NCc1ccc(F)cc1)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 10219691 QHAOOGNNKNQVAD-UHFFFAOYSA-N 428.445 1.695 0 40 IDAB COc1ccc(C)cc1N(CC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccccc1 10283151 WHAISIKSQNUJDV-UHFFFAOYSA-N 431.514 1.500 0 40 IDAB COc1ccccc1OCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 12930972 CSOBKGOVDNUQMV-UHFFFAOYSA-N 434.514 1.833 0 40 IDAB COc1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2CC(N)=O)cc1OC 12987110 WZLZWRMYQUAUTJ-UHFFFAOYSA-N 431.474 1.449 0 40 IDAB COc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1Cl 14735560 GXOAVLZQXXFMKO-UHFFFAOYSA-N 425.894 1.934 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccccc1 16689768 IHOSBYWLCYXCIS-MRXNPFEDSA-N 445.497 1.001 0 40 IDAB COCCN1CCN(C(=O)CN2C[C@@H](c3csnn3)[C@H](c3ccc(C)cc3)C2)CC1 19211997 DLJGOFRVEKVNHO-VQTJNVASSA-N 429.590 1.820 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccsc3)[nH]c(=O)c2C1 19572599 ACNBCOTYCCBQET-INIZCTEOSA-N 436.559 1.445 0 40 IDAB Cc1cnc(C(=O)N2CCO[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)cn1 19759388 DSHWSJHDHYICEX-OAQYLSRUSA-N 435.484 1.611 0 40 IDAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)Nc1ccc(F)cc1F 20614081 WPTNUVNSBSHLCU-KRWDZBQOSA-N 433.411 1.822 0 40 IDAB Cn1c(N)c(N2CCCCC2)c(=O)n(CCS(=O)(=O)c2ccc(Cl)cc2)c1=O 32810213 SSMAIZDKQVOCQZ-UHFFFAOYSA-N 426.926 1.247 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cn2ccnc2)cc1 32913633 MKPPRLUNTMJGOS-UHFFFAOYSA-N 440.525 1.882 0 40 IDAB CCS(=O)(=O)Nc1cc(-n2nc(C(F)(F)F)n(C)c2=O)c(F)cc1C(N)=S 34609398 LVKBXDHACCFCTA-UHFFFAOYSA-N 427.405 1.125 0 40 IDAB in-vitro CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1ccc(OC)cc1 35374222 GYPDLUFPBNLNLZ-UHFFFAOYSA-N 437.456 1.977 0 40 IDAB O=C(Nc1nc(CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cs1)c1ccsc1 38575665 CHLUKFPZNWPMFQ-OAHLLOKOSA-N 434.543 1.849 0 40 IDAB Cc1ccc(-c2nnn(CC(=O)NCCNC(=O)c3ccc(Br)cc3)n2)cc1 40157288 XDZPYRFWNCTKGA-UHFFFAOYSA-N 443.305 1.957 0 40 IDAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)c2)n1 48343726 GJKCWVSNSJKQEF-OAHLLOKOSA-N 449.533 1.842 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 56907916 ZCHKLUHNJIRJEE-UHFFFAOYSA-N 445.589 1.809 0 40 IDAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 58450204 YWIHIFMRCRYNAD-UHFFFAOYSA-N 444.557 1.900 0 40 IDAB CN1CCN(CCCNC(=O)[C@H]2C[C@@H]3CC[C@@]2(C)C[C@]32NC(=O)c3cccnc3N2)CC1 72342624 OBGJYBUURDAWIC-GOMRNUEMSA-N 440.592 1.513 0 40 IDAB CC(=O)Nc1cccc(NC(=O)C[C@@H](CN2CCN(c3ccccn3)CC2)C(=O)O)c1 72401665 QWCBWDIYFCTXLV-KRWDZBQOSA-N 425.489 1.892 0 40 IDAB CCCCN(C)C(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2 96147556 QGVJEIIATRJYQO-UHFFFAOYSA-N 433.534 1.337 0 40 IDAB CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O 101659544 ZEBMMHUDQRRILP-BSQUWHLRSA-N 449.588 1.448 0 40 IDAB biogenic CS(=O)(=O)c1ccc(OC[C@]2(CNC(=O)c3cccc(F)c3)C[C@H](O)[C@H](O)C2)cc1 107283779 ACVUVUJKJSVUQL-KXTWHKPSSA-N 437.489 1.540 0 40 IDAB biogenic,in-vitro COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2c(OC)cccc2OC)cc1 222741654 PVRCVACTCHDTNQ-UHFFFAOYSA-N 438.502 1.324 0 40 IDAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)c(Cl)cc21 223365344 AYPNFKQONPWWGH-UHFFFAOYSA-N 431.879 1.716 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)N[C@H](CN3C(=O)COC3=O)c3ccccc3)cc21 238856461 JZRHKPCOSWQHLG-CQSZACIVSA-N 431.426 1.130 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O 247817679 CBFVFKZESBYWGA-HRLGVUPISA-N 434.290 1.322 0 40 IDAB Cn1ccc(C(=O)N2C[C@@H](c3ccnn3C)[C@@]3(CCCN(Cc4cccnc4)C3=O)C2)n1 306128188 GTOGDBISAANFSJ-FDDCHVKYSA-N 433.516 1.597 0 40 IDAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 504485526 QEQVSDCKIMZPHV-QUCCMNQESA-N 425.485 1.616 0 40 IDAB biogenic CCOC(=O)N1CCC(N2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)CC1 585283028 OSTWIYQQDYGELV-QHCPKHFHSA-N 433.549 1.890 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2cccc(CN3CCCC3)c2)C1 585291448 PPCXJLMQYBQGBN-PKTZIBPZSA-N 445.585 1.169 0 40 IDAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CNCCc2ccc3c(c2)OCO3)C1 585291827 TYNIZDPSSIVJOQ-IRLDBZIGSA-N 432.904 1.378 0 40 IDAB Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)ccc1S(N)(=O)=O 594193590 JHBXCZUZQJCFOT-UHFFFAOYSA-N 445.497 1.862 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-c4nc(=O)o[nH]4)c3)CC2)cc1C 1623940024 HKQYBWPROHYTTI-UHFFFAOYSA-N 442.497 1.793 0 40 IDAB CN1CCC(C(=O)N2CCN3[C@H](C2)C(=O)N(Cc2ccccc2)C32CCOCC2)CC1 1772595430 VZWNEUHGZFQJGD-OAQYLSRUSA-N 426.561 1.390 0 40 IDAB O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 932505 WKIIFWICTXVZMA-UHFFFAOYSA-N 427.442 1.936 0 40 IDAB NC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc(C(N)=O)c1 2639986 JRJUVJCVHMDWGF-UHFFFAOYSA-N 444.494 1.999 0 40 IDAB CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C 4103129 AVNHDGWDRXWNIH-UHFFFAOYSA-N 445.501 1.693 0 40 IDAB O=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)N1CCN(c2ccccc2)CC1 8627143 SNKHCQCDTYUOQS-SGKWCMOWSA-N 443.519 1.143 0 40 IDAB biogenic,in-vitro CCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]c1=O 8726832 RGKLAXHZZDGLDT-UHFFFAOYSA-N 425.536 1.497 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc(S(C)(=O)=O)cc2)C1=O 9245485 WPHIOCGJAGBPLC-NRFANRHFSA-N 444.465 1.511 0 40 IDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 9464161 FXTGAPDIUFDTBJ-UHFFFAOYSA-N 443.843 1.576 0 40 IDAB C[C@H]1CCc2sc3c(c2C1)-c1ncnn1-c1nnc(SCC(=O)N2CCOCC2)n1-3 9498039 QWXKVEAMRWTFAY-NSHDSACASA-N 443.558 1.966 0 40 IDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c1 9590939 DEQCLPKBMZYYRN-MRXNPFEDSA-N 444.469 1.663 0 40 IDAB COc1cc(C2=NC3=NC(C)=C(C(N)=O)[C@@H](c4cccc(O)c4)N3N2)cc(OC)c1OC 9637918 LLBQJWLYMCTRBB-GOSISDBHSA-N 437.456 1.855 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(=O)[nH]c2)c1 9714710 XRONNTPRUDZRPB-UHFFFAOYSA-N 434.518 1.494 0 40 IDAB CSc1ccccc1NC(=O)CN(C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O 12520414 MFCZKCYXICYILF-UHFFFAOYSA-N 430.534 1.116 0 40 IDAB CCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl 12650801 GFJMEROPYDJRLZ-UHFFFAOYSA-N 438.377 1.843 0 40 IDAB CCn1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(=O)c2cc3c(cc21)OCO3 13684658 DNLPGSINNDFHHA-UHFFFAOYSA-N 429.454 1.328 0 40 IDAB COCCN(C(=O)c1ccc(F)cc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 16046274 AFMRGWMYNGWDDA-UHFFFAOYSA-N 430.411 1.739 0 40 IDAB O=S1(=O)N=C([C@@H]2CCCN(Cc3ccnc(N4CCOCC4)n3)C2)Nc2ccccc21 19375681 ZXRHLTFAZCGSAN-MRXNPFEDSA-N 442.545 1.738 0 40 IDAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](c2ncc(C(=O)NC)c(C)n2)C1 19763608 YPXSAZKOZQWUCS-HNNXBMFYSA-N 430.530 1.958 0 40 IDAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1F)C(=O)OC 20745885 DSYUJWZJRZLQML-MAUKXSAKSA-N 436.415 1.840 0 40 IDAB Cc1cc(N2CCN(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)n1 22199955 FKDKOOSHOZLJAE-UHFFFAOYSA-N 446.577 1.707 0 40 IDAB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2F)c2ccc3c(c2)OCO3)CC1 22797293 MKBACFMYQLCLDS-LJQANCHMSA-N 442.491 1.276 0 40 IDAB CS(=O)(=O)Nc1ccc(F)cc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 25098807 OJCGKVZFHLWYSX-UHFFFAOYSA-N 426.470 1.182 0 40 IDAB COc1ccc(OC)c2c1CN(CN1C(=O)C(=O)c3cc4c(cc31)OCCO4)C[C@H]2O 31783744 IVBPNKFLJMNJKK-OAHLLOKOSA-N 426.425 1.511 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 36357750 UIGMHDHZHLIGTH-AWEZNQCLSA-N 445.497 1.700 0 40 IDAB Cn1nc(C(=O)N2CCOCC2)cc1C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 36612412 JAJAIMCXVLVBDB-UHFFFAOYSA-N 449.914 1.643 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(CC(F)F)CC1 58137274 XZIOUOQRQUEZDG-UHFFFAOYSA-N 431.505 1.475 0 40 IDAB COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NCC(C)(C)N3CCOCC3)n2)c1 61719247 AVKUELGATBROLW-UHFFFAOYSA-N 436.896 1.941 0 40 IDAB COC(=O)CNC(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C 72369633 VOKCSBLGTDBYHH-MRXNPFEDSA-N 443.548 1.930 0 40 IDAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 95451932 XMMLGEXNRUGLCU-HNNXBMFYSA-N 449.504 1.600 0 40 IDAB O=C(C[C@]1(COc2ccc(Cl)cc2)CN(Cc2c[nH]cn2)CCO1)N1CCOCC1 257216434 CUNBTZLXCKHCPU-OAQYLSRUSA-N 434.924 1.962 0 40 IDAB CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NCCCN2CCOCC2)c2ccccn12 306142509 XBEHOYUCXKVQDB-GOSISDBHSA-N 428.537 1.605 0 40 IDAB COCCNC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O 409208758 BXWMXCXMZBBMKQ-ACAGNQJTSA-N 443.275 1.977 0 40 IDAB Cn1cnc(CCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)n1 524734839 QYCUGBRDCFMYDH-OAQYLSRUSA-N 430.468 1.679 0 40 IDAB biogenic COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575422093 MEOAWNKAIDYAJI-CVEARBPZSA-N 426.516 1.374 0 40 IDAB COc1ccc(C2(C(=O)Nc3cccc(NC(=O)NCC(N)=O)c3)CCOCC2)cc1 684788737 OIEWGXMVQODLBM-UHFFFAOYSA-N 426.473 1.989 0 40 IDAB CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNC(=O)c1ccccc1Cl)OC[C@H]2n1ccc(O)nc1=O 2037977945 ZEJCKDIVQHQADL-TXCZRRACSA-N 435.864 1.492 0 40 IDAB CC(C)Cc1c(O)nc(SCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc1O 1321560 ATPIYBAKXRKNEJ-KBPBESRZSA-N 430.530 1.986 0 40 IDAB biogenic COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1 1361331 DYNIFQYEJSGTHN-UHFFFAOYSA-N 427.442 1.951 0 40 IDAB Cc1cc(S(=O)(=O)Nc2nc(N)nc(N(C)C)n2)c(SCC(=O)O)cc1Cl 1637841 UYBJQMWOCWMWQV-UHFFFAOYSA-N 432.915 1.459 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 1664669 SRHGDRUNEXTHOL-UHFFFAOYSA-N 428.532 1.645 0 40 IDAB COCCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)nc2ccccc21 3499152 GTMMELSLDVZSDM-UHFFFAOYSA-N 445.545 1.756 0 40 IDAB O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCOCC1)Cc1ccncc1 9061060 ZCPBOKRVBMDJAE-UHFFFAOYSA-N 442.925 1.346 0 40 IDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCN(C(=O)c2ccco2)CC1 9581580 FMGYLNXOGCESLL-UHFFFAOYSA-N 447.513 1.791 0 40 IDAB O=C([C@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 9632228 YGJTXRXNAFGQRC-HXUWFJFHSA-N 446.481 1.131 0 40 IDAB CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(OC)cc2)CC1 9850522 YTKNAKNYWLKCLM-UHFFFAOYSA-N 439.476 1.211 0 40 IDAB Nc1nc(CSc2nnc([C@@H]3CCS(=O)(=O)C3)o2)nc(Nc2ccc(F)cc2)n1 10026992 BQHFFSUIDMYRTK-SECBINFHSA-N 437.482 1.914 0 40 IDAB CCOc1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1S(=O)(=O)N(C)C 12557021 AUNLKHRBGCSZEV-UHFFFAOYSA-N 427.504 1.235 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccsc1 12794666 NDMDXERQIAYVHU-UHFFFAOYSA-N 425.507 1.540 0 40 IDAB O=C(NCCc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 14239480 RQAXFFSQBVVKKG-UHFFFAOYSA-N 432.498 1.451 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 14413651 MYTSMSAMOOYNKI-UHFFFAOYSA-N 435.502 1.476 0 40 IDAB COCCN1CCN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3cccc(OC)c3)C2)CC1 19593419 OJQGCNNNXSVKOD-VQTJNVASSA-N 445.589 1.520 0 40 IDAB COCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O 19824934 JOCKHWPALHOBHX-UHFFFAOYSA-N 448.589 1.582 0 40 IDAB Cc1ccc(C)c(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(=O)(=O)N(C)C)c1 20244905 GJNDGMKOIAWKJK-UHFFFAOYSA-N 445.545 1.745 0 40 IDAB O=C(NCCOc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 22480478 MXHBVHBDZFBZRW-UHFFFAOYSA-N 434.470 1.245 0 40 IDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23654071 XTJLFPLQTBKDDF-UHFFFAOYSA-N 426.517 1.520 0 40 IDAB CCS(=O)(=O)N1C[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)Oc2ccccc21 26112548 FFECGAOSMDUVSS-OAQYLSRUSA-N 429.542 1.948 0 40 IDAB Nc1nc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c2nc[nH]c2n1 31817786 QYFSOQYJDKCFSB-UHFFFAOYSA-N 444.340 1.270 0 40 IDAB CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1 32643057 GLLBYZJYBWHCOK-UHFFFAOYSA-N 428.514 1.591 0 40 IDAB COc1ccc(OCCN2CC(=O)N(c3ccc(C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 36080503 PNMQIKOEYLXTEV-LEWJYISDSA-N 430.526 1.897 0 40 IDAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)cc1 38828341 KIDOQXBZHPHDAE-AWEZNQCLSA-N 425.445 1.611 0 40 IDAB O=C(NCC(F)(F)F)c1nnn(-c2ccc(NS(=O)(=O)c3cccnc3)cc2)n1 71005445 YRKACJWNCDMUDJ-UHFFFAOYSA-N 427.368 1.150 0 40 IDAB O=C(NC[C@H]1O[C@H](Cc2cc(CN3CCOCC3)on2)CC[C@@H]1O)Nc1ccccc1 77263448 XGMQWYGBSYNXIX-SESVDKBCSA-N 430.505 1.780 0 40 IDAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 89638884 FXHVFKBVCDVETH-UHFFFAOYSA-N 429.546 1.535 0 40 IDAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1ccc(I)cc1 96319108 LBJICONUCQKHJF-UHFFFAOYSA-N 442.301 1.126 0 40 IDAB Cc1ccccc1OC[C@@H](O)Cn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 103463569 JLUVWMBXPDLSCJ-WBVHZDCISA-N 441.532 1.418 0 40 IDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 223040429 UMVOOOXZGNEMMF-UHFFFAOYSA-N 446.554 1.652 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(N3CCCC3=O)c2)cc1 225429128 ZIQXRJNPTLQBGH-UHFFFAOYSA-N 431.514 1.759 0 40 IDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)s1 225638518 DYHWEKFDDBGQBD-UHFFFAOYSA-N 439.563 1.443 0 40 IDAB CNC(=O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)[C@H]13 227141042 BHFZYJRIBUYLBS-GKICUZSHSA-N 429.542 1.594 0 40 IDAB C[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@@]21C[C@H]2C(=O)N(C)[C@@H](O1)c1nc3ccccc3c(=O)n12 247722431 BOZGEGDMHAOPIQ-CBZVYWDSSA-N 443.463 1.388 0 40 IDAB biogenic,in-vitro CCN1CCC[C@@H]1CNC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccc(C)cc1N2 248339224 SJWMRANMENYLPN-HOOSLVGPSA-N 441.576 1.848 0 40 IDAB CCCc1nc2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2cnc3c(N)ncnc32)C1 257260655 LDUCYNPUAXILHU-UZUQRXQVSA-N 448.531 1.935 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCN2CCOCC2)C1 408587041 BBVWKXMPQYTOJA-OAHLLOKOSA-N 445.969 1.198 0 40 IDAB O=C(CCc1nc(O)c2ccccc2n1)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 583652701 BSQQUWMOHZIHOC-SJORKVTESA-N 433.512 1.665 0 40 IDAB biogenic O=C1C[C@H](NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CN1CCN1CCOCC1 605378570 DHUBNTOYUIZGOY-KRWDZBQOSA-N 425.451 1.786 0 40 IDAB CCN1C(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3C)CCN2C12CCOCC2 1772595839 NTDYUOZIZNTSIV-OAHLLOKOSA-N 426.439 1.904 0 40 IDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 922604 FCDCFSUXTBJKNP-AWEZNQCLSA-N 426.516 1.397 0 40 IDAB CC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)cc1 932514 GXQVKXDRYVTGDN-UHFFFAOYSA-N 429.502 1.948 0 40 IDAB COc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 1362944 RYLILBGBPXXZDE-UHFFFAOYSA-N 426.516 1.195 0 40 IDAB COC(=O)c1ccc([C@H](c2c(O)nc(=S)[nH]c2O)c2c(O)[nH]c(=S)[nH]c2=O)cc1 6879034 CMMNHEQFYSWIDP-UHFFFAOYSA-N 434.455 1.969 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1cccnc1 9421941 UYEVHGYNSUIHHQ-INIZCTEOSA-N 434.493 1.054 0 40 IDAB O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 9576363 FQWQIEKNVDYZTF-NRFANRHFSA-N 448.479 1.680 0 40 IDAB COc1ccc(OCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4)cnc32)cc1 9822613 PPVWNJCLNQCGFB-UHFFFAOYSA-N 433.468 1.845 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 10109545 XTCMHNXMNXENPY-OAHLLOKOSA-N 437.543 1.726 0 40 IDAB COc1ccc(C)cc1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC 11858344 MKYCHLBZWBNXPO-UHFFFAOYSA-N 440.499 1.880 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H]1OCCN1C(=O)c1ccc(Cl)cc1 12080706 ONLOMAKYFYBMKK-GOSISDBHSA-N 445.859 1.300 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2snnc2C)C[C@@H]1C(=O)N(C)C 12125423 FRHYOESQGYJABF-IERDGZPVSA-N 443.529 1.130 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CC1 12409549 MNJWNUOASOTJIC-UHFFFAOYSA-N 436.509 1.076 0 40 IDAB CCOC(=O)c1ccc(-n2nnnc2[C@@](C)(CN2C(=O)c3ccccc3C2=O)NC)cc1 12411120 OKGNETCPZUNFFS-JOCHJYFZSA-N 434.456 1.570 0 40 IDAB COc1cc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 12497357 XAPJYRTUBIWNDW-UHFFFAOYSA-N 425.488 1.487 0 40 IDAB O=C(CSc1ncnc2sccc12)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 13063018 WOTSNRIQEOZFCS-UHFFFAOYSA-N 446.510 1.904 0 40 IDAB O=C(O)C1CCN(C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 13220326 ULFULKSDEQMNKP-UHFFFAOYSA-N 427.548 1.672 0 40 IDAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)sc2c1 13793175 UEHHRWWIPQADRF-ZDUSSCGKSA-N 446.576 1.299 0 40 IDAB COc1cc(CC(=O)NC2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)cc(OC)c1OC 19555194 ZKMKBXQWBIAGPC-UHFFFAOYSA-N 430.505 1.740 0 40 IDAB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 20866543 XXIQFPBMBSZDPC-OWCLPIDISA-N 426.535 1.802 0 40 IDAB COC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)sc2c1CCCC2 22521634 SZQPBRQTNCDVRV-GFCCVEGCSA-N 429.564 1.870 0 40 IDAB COCCn1c(S)nc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2c1=O 23212056 VHKKDNRJLVICHL-UHFFFAOYSA-N 425.514 1.689 0 40 IDAB CCOc1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 35240675 STMVUXNAGUHYEH-UHFFFAOYSA-N 447.557 1.830 0 40 IDAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 40283516 LRIDQYWAFAXKKH-HNNXBMFYSA-N 445.497 1.715 0 40 IDAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccc(N2CCCS2(=O)=O)cc1 48310409 IQLLUGMNUOAJIB-UHFFFAOYSA-N 431.518 1.780 0 40 IDAB Cc1sc2nc(N3CCN(CC(=O)NC[C@H]4CCCO4)CC3)n3ncnc3c2c1C 57156124 VOGZMQPMOBUMJX-OAHLLOKOSA-N 429.550 1.373 0 40 IDAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)c1 57426822 LHHYZMYCRMVVJB-INIZCTEOSA-N 429.498 1.577 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cc(OC)ccc2OC)CC1 57703994 MBLGLDLGAOVCHD-HNNXBMFYSA-N 428.555 1.235 0 40 IDAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC[C@@H](O)C(F)(F)F 72290288 CXGCJGBRHWBXOW-ZIAGYGMSSA-N 428.498 1.825 0 40 IDAB NS(=O)(=O)c1cccc2c1CCCN2CC(=O)Nc1cccc(N2CCCC2=O)c1 72311941 GDDPQLKLAYBGHK-UHFFFAOYSA-N 428.514 1.852 0 40 IDAB CCN1CCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccc(C)cc2N3)CC1 72327914 VXMOAEAABNWJJD-GAJHUEQPSA-N 427.549 1.412 0 40 IDAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCC[C@@H](CN2CCN(C)CC2)C1 95446743 DVFAGKDCLXXONQ-IBGZPJMESA-N 431.581 1.018 0 40 IDAB O=C1[C@@H]2[C@H](C(=O)N1Cc1ccco1)[C@H]1C=C[C@@H]2[C@H]2[C@H]3C(=O)N(Cc4ccco4)C(=O)[C@@H]3[C@H]12 100088163 WSVQHUCRCMDNNU-BTUSLUSDSA-N 432.432 1.837 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2nc(O)c3c(n2)CN(S(C)(=O)=O)CC3)CC1 100238747 HPCLUUAFKRMJFX-VBQJREDUSA-N 438.550 1.369 0 40 IDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1cc(=O)n2cc(Br)ccc2n1 102231544 HOMGKHYGVFEQLI-KBPBESRZSA-N 448.273 1.675 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)/N=c2/sc3ccccc3n2C)cc1 104992044 UUNHVSMEUDKLMR-XUTLUUPISA-N 432.527 1.946 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCSc2nc(C)n[nH]2)ccc1OC 222924244 FPWVSGSQJDGRRH-UHFFFAOYSA-N 427.552 1.674 0 40 IDAB Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)c1ccc(OCC(N)=O)cc1 225584324 SNABIABZRNEIJD-UHFFFAOYSA-N 429.502 1.269 0 40 IDAB S=C(NCCN1CCOCC1)Nc1nc(N2CCCCCC2)cc(N2CCOCC2)n1 225903923 FSRNQZDWXQNLSF-UHFFFAOYSA-N 449.625 1.312 0 40 IDAB O=C1CCCN1CCOc1cccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4ccnc4cn3)C2)c1 257262877 LNJSOPUFHFTOHA-GHTZIAJQSA-N 449.511 1.406 0 40 IDAB O=C(NCC1CCOCC1)C1(n2cccn2)CCN(S(=O)(=O)c2ccccc2)CC1 306130459 JHACTDJPAWIPFN-UHFFFAOYSA-N 432.546 1.606 0 40 IDAB C[C@]1(c2ccc(C(=O)N3C[C@@H](C[C@H]4COCC(=O)N4)c4ccccc43)cc2)NC(=O)NC1=O 554656828 FCGVXBWCLUSFHF-QEEIZYTISA-N 448.479 1.390 0 40 IDAB Cc1nn(-c2ccccc2)c2nc(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)ccc12 617456233 AVPXUFGFJGLTCY-UHFFFAOYSA-N 448.527 1.346 0 40 IDAB COC[C@@H]1CC[C@@H]([C@H]2COCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)O1 1657114468 LUBNFNKHEPUKHZ-KYNGSXCRSA-N 438.546 1.890 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2CN(C)CCN23)cc1 1772595899 RRVKGSLGUKTNLR-HXUWFJFHSA-N 448.589 1.044 0 40 IDAB CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)Cn3ccccc3=O)N2Cc2ccccc21 2055746312 NFYCDDZJOFZJOP-VQTJNVASSA-N 437.544 1.936 0 40 IDAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5ccc(OC)c(C)c5)C[C@H]4C3)ncnc21 2087069170 NWVSCEHNSOCVOX-HZPDHXFCSA-N 442.545 1.920 0 40 IDAB COc1ccccc1NC(=O)C[C@@H]1C(=O)N(C)C(=S)N1NC(=O)c1cccc(F)c1 1078074 RNSCXXVTYIIKSF-OAHLLOKOSA-N 430.461 1.935 0 40 IDAB CNC(=O)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1 3454629 UHMPPOFGIJJCEV-UHFFFAOYSA-N 426.454 1.720 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(N3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1C 4371135 HQTIYWRYJWRJOT-MRXNPFEDSA-N 427.505 1.091 0 40 IDAB CCN1C(=O)[C@H]2[C@H](c3ccccc3F)N[C@@](Cc3ccc(O)cc3)(C(=O)OC)[C@@H]2C1=O 4388461 DVARYMCFDJNTDD-GKAYAJSDSA-N 426.444 1.951 0 40 IDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8825358 ULJQCYVVSYIXDB-UHFFFAOYSA-N 444.488 1.528 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC(C(=O)N3CCCCCC3)CC1)C2=O 8993839 UVEBHKMUODQUAU-UHFFFAOYSA-N 447.580 1.633 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 9126443 AQANWGRMTJEXOA-VAWYXSNFSA-N 437.543 1.774 0 40 IDAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@@]12C(=O)Nc1ccccc12 9186327 FMIKCAYZNIHZTF-HSZRJFAPSA-N 433.420 1.772 0 40 IDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9750279 LZVOKALYSLEIGZ-MRXNPFEDSA-N 427.482 1.860 0 40 IDAB CC(C)[C@H](OC(=O)c1ccccc1S[C@H](C(=O)NC(N)=O)C(C)C)C(=O)NC(N)=O 9963307 POWPEOPILIVMCT-KBPBESRZSA-N 438.506 1.375 0 40 IDAB C[C@H](NC(=O)c1ccncc1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1 12144281 UWKDVFDZUUGIQK-KRWDZBQOSA-N 434.500 1.311 0 40 IDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1ccc(N2CCCC2=O)cc1 12590609 KMKGUCKOLJQGRF-UHFFFAOYSA-N 432.480 1.502 0 40 IDAB CC(=O)Nc1ccc(NC(=O)C[C@H]2N=C(N3CCN(c4ccccc4)CC3)NC2=O)cc1 13693783 NCNOCHFGSCSODQ-HXUWFJFHSA-N 434.500 1.650 0 40 IDAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccccn1 13728343 CYXHWLWGOUGUOI-UHFFFAOYSA-N 425.488 1.025 0 40 IDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 18023769 PLJGRTKDYLEEBN-QLFBSQMISA-N 439.534 1.744 0 40 IDAB COC[C@@H](C)N1C[C@@H](C(=O)N2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)CC1=O 19456552 XHWUFOROHQRMBU-CVEARBPZSA-N 430.501 1.905 0 40 IDAB CCN1CCN(C(=O)c2n[nH]c(=O)[nH]2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O 19527683 SOHSCEIULPWQJO-KRWDZBQOSA-N 449.511 1.937 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CC[C@@H]3CCCO3)[nH]c2=O)C1 19572880 PVZLAHXYMQDJPO-WMLDXEAASA-N 438.550 1.100 0 40 IDAB O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 20614157 IDVPNAVKADJHGM-LJQANCHMSA-N 425.485 1.264 0 40 IDAB O=C(CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1)Nc1nc2ccc(F)cc2s1 21704600 MNFWHUHYDOZRLF-UHFFFAOYSA-N 434.434 1.448 0 40 IDAB CN1CCC(N2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccccc2)N3C)CC1 22922951 LRFUQMJMYFPLEV-XJUOHMSHSA-N 427.593 1.050 0 40 IDAB biogenic,in-vitro Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)NC(=O)NC1CCCC1 28721702 FOVZBLKCOGCTHX-OAQYLSRUSA-N 438.532 1.730 0 40 IDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 32097124 KXKRANBPACXFPN-IBGZPJMESA-N 449.504 1.626 0 40 IDAB CN(C(=O)CCC(=O)c1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 32780667 JMPKUYLYVXVKBM-ZDUSSCGKSA-N 435.283 1.900 0 40 IDAB Cc1ccc(N2N=C(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)NCC2=O)cc1 32807600 QBWIAZUSFHYCQX-QGZVFWFLSA-N 435.484 1.792 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 32911234 NNFUCVLJYVFDNZ-UHFFFAOYSA-N 445.424 1.297 0 40 IDAB Cn1cccc1C(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 35325900 AZYUFDVCACZPDJ-UHFFFAOYSA-N 440.525 1.441 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1ccc2c(c1)OCCO2 65237466 FRFZCFOBXCTLJF-UHFFFAOYSA-N 447.513 1.823 0 40 IDAB O=C(Cn1c(-c2cccs2)noc1=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 71826657 IPLONTZRQMUCDQ-LBPRGKRZSA-N 439.540 1.842 0 40 IDAB Cc1ccc(CN2C(=O)[C@@H]3[C@@H](C(=O)NC4CC4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCC2)cc1 245230335 PMOHSBMXAZPEMG-XMLSHEPFSA-N 449.551 1.983 0 40 IDAB CCCc1nc2ccccc2n1CC(=O)N[C@H]1CCC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257202661 AMTYKDSMAKSKSC-WJPUGNRLSA-N 448.531 1.982 0 40 IDAB CCCc1nc2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(O)nc2=O)C1 257343076 ZRJXMMRCKGIJOQ-VGOFRKELSA-N 425.489 1.476 0 40 IDAB CN(Cc1ccccn1)C(=O)[C@@H]1CN(CC2CC2)C[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)O1 306125544 CTSJCSGIHQYAFO-DPLHUUCSSA-N 442.560 1.301 0 40 IDAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCCn1ccnc1 408591573 JQASJSRZOVNBLM-UHFFFAOYSA-N 428.514 1.947 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(Cc3ccccn3)CC2)C1 585292290 ZUECNDZRMXEHDU-YADHBBJMSA-N 431.558 1.133 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)CC1 1888869796 USMSROMWQHRSAF-ZIAGYGMSSA-N 447.483 1.062 0 40 IDAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCOCC3)c2)cc1 3318697 PBCYYAOZRQCSSI-UHFFFAOYSA-N 448.497 1.536 0 40 IDAB CN(C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 9828907 FMCJYDIVLMVSMK-IBGZPJMESA-N 431.512 1.076 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)c2ccccc2Cl)cc1 10042018 MUFVJKNOMOBASG-UHFFFAOYSA-N 438.889 1.469 0 40 IDAB CC1=NN(CCN2CCC(Cc3ccccc3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 10108815 FJMHHMKVZARXJI-UHFFFAOYSA-N 449.559 1.584 0 40 IDAB COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 10111544 VXVUXOZZPUGGMR-UHFFFAOYSA-N 435.546 1.885 0 40 IDAB COc1ccc(CCNC(=O)Cn2ncn3nc(-c4ccccc4)cc3c2=O)cc1OC 11666354 NSVAQXYUTBVBLA-UHFFFAOYSA-N 433.468 1.934 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N(C)CCc1ccncc1 11859340 QWYCGATUOKZNDZ-UHFFFAOYSA-N 439.515 1.020 0 40 IDAB COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)c1 12029861 SJPHKYQZJQFJSR-KRWDZBQOSA-N 437.495 1.686 0 40 IDAB CCCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 12639121 NNPGWQWDSDIJJI-UHFFFAOYSA-N 446.939 1.854 0 40 IDAB COc1ccccc1NC(=O)COc1ccc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc1OC 12693038 WKSGJQDCZNZVEX-GFCCVEGCSA-N 445.428 1.462 0 40 IDAB COc1ccc2c(COC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)cc(=O)oc2c1 12972655 VBQKKFYNYKOSKN-CYBMUJFWSA-N 448.453 1.010 0 40 IDAB CCCn1c(=O)n(C[C@@H](O)COc2ccc(CC)cc2)c2cc(S(N)(=O)=O)ccc21 13006145 AZYYUNPDOIDHNR-MRXNPFEDSA-N 433.530 1.863 0 40 IDAB CC(C)CN(C(=O)CN(C)C(=O)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13039131 CLZMSAXTFRCUQP-UHFFFAOYSA-N 429.521 1.536 0 40 IDAB COCCNC(=O)[C@H](c1ccc(F)cc1)N(CCOC)C(=O)Cn1nnc2ccccc21 13508324 DSGGIHKZAPWUHV-NRFANRHFSA-N 443.479 1.549 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nnc(-c3cc(C)nn3C)o2)cc1 13615030 RYTOYNOOXGXKDL-OAHLLOKOSA-N 430.490 1.879 0 40 IDAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 14237200 MQWUPTAKMWZBQY-INIZCTEOSA-N 438.527 1.091 0 40 IDAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1cccs1 14252999 PJSCCJBAMHUHRK-UHFFFAOYSA-N 433.964 1.726 0 40 IDAB O=C(CNC(=O)c1cccc(F)c1)OCCCOC(=O)CNC(=O)c1cccc(F)c1 18347568 VMZZDAAVYJTXDG-UHFFFAOYSA-N 434.395 1.601 0 40 IDAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1ccnc(N2CCOCC2)c1 19697440 NZHXJLIDABFYHR-UHFFFAOYSA-N 446.511 1.707 0 40 IDAB CNc1nc([C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)nc2c1CNCC2 19710579 ZPVGOUBWFSYPFA-ZDUSSCGKSA-N 435.525 1.880 0 40 IDAB CNC(=O)c1cnc([C@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)nc1C 19763760 CQTLFOBDNJGHNO-HNNXBMFYSA-N 448.520 1.854 0 40 IDAB O=C(NCCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20460207 MHCIVHIRWFSBET-OAQYLSRUSA-N 437.606 1.500 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@H]1c1ccc(C)cc1 20674616 VMVDVPLTEPOZJT-MOPGFXCFSA-N 438.484 1.752 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1 23144482 WFLJJQAKYXYRPQ-UHFFFAOYSA-N 427.490 1.132 0 40 IDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 33475967 WSTXJWRIEPMDBS-NTUHNPAUSA-N 428.357 1.856 0 40 IDAB CC1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1 39984851 IDIUGUJOXMHIRR-INIZCTEOSA-N 436.983 1.680 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1 44905132 GKRHDUGQQLMVRA-UHFFFAOYSA-N 431.493 1.941 0 40 IDAB CC(=O)N1CC(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)C1 95939790 NXMQJUHLZBOBRS-DEOSSOPVSA-N 432.480 1.513 0 40 IDAB O=C(NCc1cccc(C(=O)NC2CC2)c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 511922515 FNAFQHGKJILXAB-UHFFFAOYSA-N 441.553 1.739 0 40 IDAB O=C(NC[C@H](O)CO)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1cccnc1 643583954 PYRGHYDSBQDOFT-NRFANRHFSA-N 440.544 1.865 0 40 IDAB Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 1557491599 MCYXTLJLVIGSJZ-QGZVFWFLSA-N 442.335 1.085 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC2CCN(CC(F)(F)F)CC2)cc1 1775966120 QPLBAWDFPXOUCA-UHFFFAOYSA-N 433.452 1.893 0 40 IDAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)CCC(F)(F)F)C[C@@H]4C3)ncn2)n1 2086894051 YLZBDALTBZJDCO-GJZGRUSLSA-N 444.483 1.929 0 40 IDAB CC(C)CNC(=O)NC(=O)COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 3367063 DJVYSQKNDRPJJQ-FOIQADDNSA-N 437.493 1.741 0 40 IDAB CCN(CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCOC 6193397 XMPDFRUQQSIQQX-UHFFFAOYSA-N 434.562 1.922 0 40 IDAB C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)c1c[nH]c2ccccc12 8708518 AFESBGMMKMKSJM-CHWSQXEVSA-N 431.470 1.448 0 40 IDAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 9609429 PGFDRTVEISPCCL-XYZCENFISA-N 428.488 1.401 0 40 IDAB Cc1ccc(C)c(OCCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 10022178 OFCLQBNLPZSUDI-UHFFFAOYSA-N 434.514 1.622 0 40 IDAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)c1ccccc1OC)CC2 10705370 XEXWPWKBBZKDAK-UHFFFAOYSA-N 434.514 1.830 0 40 IDAB CNS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1 10744940 BRZSWQZWPRKLBA-UHFFFAOYSA-N 433.349 1.977 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 12085619 NOHGGWNNNDOYBP-HSZRJFAPSA-N 442.516 1.352 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](c2cn(C)nc2C)NS(=O)(=O)N1C 12131309 RVRRFXYTTKGWNI-ZFWWWQNUSA-N 427.914 1.609 0 40 IDAB COC(=O)[C@H](CSCc1ccccc1)NC(=O)COC(=O)CNC(=O)c1ccccc1 12417332 DXBQIZQZYVXZOD-SFHVURJKSA-N 444.509 1.551 0 40 IDAB O=C(CSc1nc(O)c2ccccc2n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12487148 OAFSUZYIMKSMMA-UHFFFAOYSA-N 444.538 1.961 0 40 IDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(CCc3ccccc3)CC2)C1=O 12756741 NJUPLWWBBZLCBS-XMMPIXPASA-N 438.503 1.980 0 40 IDAB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3)CC1)CS2 13022079 AZKOXNDFQPEXTN-MAUKXSAKSA-N 443.978 1.627 0 40 IDAB CCOc1ccccc1OCC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13041332 ZCVHILUHFHZZTI-UHFFFAOYSA-N 434.493 1.232 0 40 IDAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CN2CCN(C(=O)C3CC3)CC2)C1=O 13113361 VLDBPLLCUPURAB-JOCHJYFZSA-N 428.489 1.127 0 40 IDAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)CNC(=O)c1cccs1 14113615 UXPKZVIAEQSTEA-UHFFFAOYSA-N 430.486 1.780 0 40 IDAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCN(CC(=O)N2CCOCC2)CC1 14182657 IDGLRINIOLITIT-NSCUHMNNSA-N 449.935 1.518 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(C)Cc1nc([C@H]2CC(=O)N(C)C2)cc(N(C)C)n1 19701021 QTCMEDWQPOBYBE-HNNXBMFYSA-N 447.561 1.626 0 40 IDAB CC(=O)NCc1cnc2cc(C)nn2c1[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCO1 19704736 CPAWRQOWADQDCU-SFHVURJKSA-N 447.492 1.575 0 40 IDAB Cc1nn(C)c(C)c1CN(C)C(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O 19749972 QPDFEIOAEHKHFG-UHFFFAOYSA-N 439.491 1.926 0 40 IDAB COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCN(C)CC3)c(=O)[nH]c2c1 19940405 XEJFLCYRLJNORW-QFIPXVFZSA-N 445.527 1.908 0 40 IDAB COC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccco1 20478141 WEJFDOYYMOPKSQ-OALUTQOASA-N 440.456 1.142 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)cc1 21699775 WHGHJMOJXWLEHM-INIZCTEOSA-N 434.580 1.581 0 40 IDAB COc1ccc(-c2csc(NC(=O)CN3CCN(CC(=O)NC4CC4)CC3)n2)cc1 22791012 JYIQFWSJMHSWEH-UHFFFAOYSA-N 429.546 1.653 0 40 IDAB CCN(C(=O)[C@@H](C)OC(=O)COc1cccc2c1OC(C)(C)C2)[C@H]1CCS(=O)(=O)C1 24224310 RZIDMFHIHFURHG-ZBFHGGJFSA-N 439.530 1.746 0 40 IDAB O=CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 26109051 SKWIGWSEORIRTQ-UHFFFAOYSA-N 448.372 1.836 0 40 IDAB CN(Cc1ccc(Br)cc1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 32826342 APJCEBSJNZWWCM-DZGCQCFKSA-N 429.336 1.443 0 40 IDAB Cc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)N4CCOCC4)c3N)cc2)cc1 33435993 OVSNBAWMSUDNHR-UHFFFAOYSA-N 442.501 1.431 0 40 IDAB COc1ccc(C)cc1NC(=O)Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O 35425694 USPCARRZIDUEIU-UHFFFAOYSA-N 448.483 1.837 0 40 IDAB CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)o2)cc1 35590104 WSNCXOAOPHUECH-ZDUSSCGKSA-N 442.519 1.140 0 40 IDAB COc1ccc(N2Cc3nc(=O)n(CC(=O)NCc4ccc(F)cc4F)n3C2=O)cc1 49544225 TXDGUGZQBMUGHS-UHFFFAOYSA-N 429.383 1.636 0 40 IDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 103236094 FKUOHCIYDZRNFM-OYUDYFSCSA-N 448.445 1.993 0 40 IDAB C[C@@H]1O[C@@H]2OC(=O)[C@]3(C)CC4=C(CO)C5=C(CC(=O)[C@]4(C)[C@@H](C1=O)[C@@H]23)C(C)(C)OC(=O)C5 104646746 JIEVZPUBUDASNE-AFHZZVPFSA-N 444.480 1.790 0 40 IDAB biogenic,in-vitro Cc1ccc2c(c1)[C@]1(N[C@@H]([C@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 105380439 FJRWKXNZDUURGR-LPUYTWIDSA-N 449.463 1.025 0 40 IDAB biogenic COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)c2ccccc2O1 222814577 PULISPJYJHSJGL-IBGZPJMESA-N 448.497 1.591 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1N1C(=O)CCC1=O 224378451 WOLIWYRZKWBILM-UHFFFAOYSA-N 431.470 1.851 0 40 IDAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CCN1CCCS1(=O)=O 501220390 YCSCYOUVIXHKKS-FQEVSTJZSA-N 446.573 1.874 0 40 IDAB CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 585272981 OAUZMTGNNUMPKY-DEOSSOPVSA-N 426.561 1.866 0 40 IDAB C[C@@H](Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1 658358 YKGBCXHAMZKLCI-OAHLLOKOSA-N 430.534 1.664 0 40 IDAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8751580 PWKVSQRAVGLMHO-UHFFFAOYSA-N 449.554 1.373 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(C)cc1 8849707 MODWGAMIVFLCQX-UHFFFAOYSA-N 449.467 1.681 0 40 IDAB COc1ccccc1CCNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 10213432 KUHKHFBYADOWKI-UHFFFAOYSA-N 431.514 1.923 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)CCNC1=NS(=O)(=O)c3ccccc31)CC2 12914258 WOJQXJWMPLYYAQ-UHFFFAOYSA-N 429.498 1.717 0 40 IDAB COc1ccccc1N(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccccc1 13566752 XHXZGQWAFBTRFG-UHFFFAOYSA-N 433.530 1.339 0 40 IDAB COc1ccc(N2C[C@H](NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2=O)cc1OC 16913711 SAJNTHMNENYYNQ-OAHLLOKOSA-N 447.513 1.489 0 40 IDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C2=O)cc1 17913993 GYMCPRREQCIVLP-OAQYLSRUSA-N 430.411 1.795 0 40 IDAB C[C@@H](C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C)c1n[nH]c(=O)c2ccccc12 19458048 XJQNZTTYHNHVQG-CQSZACIVSA-N 432.484 1.620 0 40 IDAB CNc1nc([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)nc2c1CN(C(C)=O)CC2 19710464 OQZFKHTXDBNHBR-SFHVURJKSA-N 428.581 1.861 0 40 IDAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)C1=O 19797480 VDZFXAVXEYIPST-UHFFFAOYSA-N 428.514 1.747 0 40 IDAB CN1CCN(C(=O)CN2CCN([C@H](C(=O)O)c3c[nH]c4cccc(Cl)c34)CC2)CC1 20744909 FDOGEZZMAWTIRR-FQEVSTJZSA-N 433.940 1.339 0 40 IDAB CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)CC1 22610221 CYPOBJFUGCLTMM-CQSZACIVSA-N 439.472 1.842 0 40 IDAB CN1CCN(CCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1 22829620 SEXQGGMHVWZLBP-UHFFFAOYSA-N 437.393 1.513 0 40 IDAB COc1ccc(OCCN(C)C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 23648406 DDJJPPBLJRPTPC-UHFFFAOYSA-N 432.473 1.988 0 40 IDAB COc1cc(C(=O)COC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc(OC)c1OC 23702306 HCBIWZCBYODVLX-UHFFFAOYSA-N 448.472 1.939 0 40 IDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 24605689 IRSWXIILSLOXRN-UHFFFAOYSA-N 425.551 1.999 0 40 IDAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 26522473 PUKXSSUZOZJERL-DFLMZXFUSA-N 433.574 1.714 0 40 IDAB NC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)sc2c1CCC2 36329859 FEZMVGZASJYVIP-UHFFFAOYSA-N 448.570 1.281 0 40 IDAB O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccc([SH](=O)=O)cc2)C1=O)Nc1ccccc1 36714041 GOWASLGYUHWKFV-GDNBJRDFSA-N 445.478 1.813 0 40 IDAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CCN(c2ncccn2)CC1 40132529 YATHTOAJANYGAG-UHFFFAOYSA-N 425.489 1.955 0 40 IDAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520499 WVDCSDBELAFNSW-UHFFFAOYSA-N 443.485 1.182 0 40 IDAB CC(C)CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1 72321551 VKOYYUZVHGCOAA-UYAOXDASSA-N 426.535 1.524 0 40 IDAB biogenic,in-vitro CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)CC1 72327604 TYXXFWVZMZNRSA-HJPURHCSSA-N 427.501 1.482 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)CCCC3)CC1 77101223 LTAXFDOJDHUWNJ-UHFFFAOYSA-N 434.484 1.705 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)C1=O 95939094 ALTHSYRTOYICKZ-JOCHJYFZSA-N 431.408 1.641 0 40 IDAB CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CCN(c4ccc(=O)n(C)n4)CC3)nc21 96119216 QAVRWUBFDJHHOH-ZDUSSCGKSA-N 431.518 1.685 0 40 IDAB CS(=O)(=O)N1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)[C@@]2(CCNC2=O)C1 96262547 JZEOKQWTKICTOX-IBGZPJMESA-N 425.938 1.344 0 40 IDAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)NCCN1CCOCC1 219142067 QDZLWAVCFIJFAR-UHFFFAOYSA-N 439.484 1.609 0 40 IDAB COc1ccc(/C=C/C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1OC 224320602 DCVQRFXXSNPKEN-GQCTYLIASA-N 439.516 1.692 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)c1C 225700744 RPDQCTWUAMVDGO-MRXNPFEDSA-N 437.518 1.168 0 40 IDAB CCN1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 257208725 BNKGWQBOQWSFGK-PMACEKPBSA-N 449.511 1.339 0 40 IDAB CO[C@H]1O[C@@H](OC)[C@H](O)[C@@]1(O)CC[C@@]1(C)[C@@H]2C[C@@H](O)C=C3C(=O)OC[C@@]32CC[C@H]1C 1549184314 RNTHUVMZQFSSFH-QTQNOGJYSA-N 426.506 1.120 0 40 IDAB CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 1847787 MWTKHYIBRBUQHF-LJQANCHMSA-N 438.406 1.795 0 40 IDAB Cc1c(CC(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2097978 DWIYZXQGUNINNP-UHFFFAOYSA-N 426.425 1.586 0 40 IDAB biogenic O=C1Cc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)ccc2N1 8745726 OFHPEGSWLXHZSF-UHFFFAOYSA-N 443.481 1.949 0 40 IDAB COc1cc(/C=C/C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1OC(F)F 9247069 UAZPQRRPVDRJIQ-BPJJOFIESA-N 433.429 1.499 0 40 IDAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 9660352 ONNLCERFHAFAAH-UHFFFAOYSA-N 430.490 1.329 0 40 IDAB CC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)CC2)c(F)c1 9780388 WWJYVEJEDOOOLJ-UHFFFAOYSA-N 430.480 1.932 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)CC(=O)c2cc(C)ccc2O3)CC1 12086727 BMTHXQMLYWKMID-MZNJEOGPSA-N 441.528 1.791 0 40 IDAB CN(C(=O)CN1CC2(CCOCC2)Oc2ccccc2C1=O)[C@]1(C)CCS(=O)(=O)C1 12086858 NEWURIBRFGQVST-HXUWFJFHSA-N 436.530 1.106 0 40 IDAB COc1cc(OC)c(OC)cc1CNC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 12543720 HPDFHIPXTSFWGE-CYBMUJFWSA-N 449.529 1.427 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNC(=O)c3ccco3)C2)s1 12947490 JEXOJSROMRMOPD-AWEZNQCLSA-N 425.532 1.596 0 40 IDAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccccc1 13609605 BWESOWJFJRRUOD-KRWDZBQOSA-N 429.542 1.908 0 40 IDAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1 15195088 DBMAGJLAASDWAK-UHFFFAOYSA-N 440.499 1.817 0 40 IDAB CCc1cc(C(=O)N2C[C@H](C(=O)N(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)no1 19522668 XEQBNUUDPZIBDY-IRXDYDNUSA-N 426.521 1.961 0 40 IDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)COC(=O)Cc1c[nH]c2ccccc12 22580306 WAUWGZPJJMEIJW-UHFFFAOYSA-N 429.498 1.820 0 40 IDAB COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 22796600 UYEGMATYXMIHGY-QHCPKHFHSA-N 438.572 1.767 0 40 IDAB CC(C)N1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 22989623 VBAZEHRWPVELJT-UHFFFAOYSA-N 425.551 1.457 0 40 IDAB CC[C@H](C)N(C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 34896584 CNPHIMUXYUAWBF-LUQKVYGDSA-N 435.546 1.658 0 40 IDAB COCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 35374932 CBFVFKZESBYWGA-XMDUPGNXSA-N 434.290 1.322 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)NCC(=O)Nc1nnc(CCc2ccccc2)s1 36358750 IBAITMGHSBHWGT-UHFFFAOYSA-N 448.508 1.788 0 40 IDAB CC(C)[C@H](OC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)NC(N)=O 39581800 UEAQYRUWQAHOHD-KRWDZBQOSA-N 433.486 1.541 0 40 IDAB COC(=O)[C@@H](CNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)Cc1ccc(F)cc1 48302605 PMTOXNFXZUNXHI-MRXNPFEDSA-N 433.480 1.871 0 40 IDAB CC(=O)N1CCN(C(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)CC1 61719035 SATRGMFZOZKNBO-UHFFFAOYSA-N 433.516 1.698 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCCN1CCCC1=O 72327687 ITQLPJYJLDPWKS-JOCHJYFZSA-N 447.919 1.795 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)CC2=O)c1 77148668 XHKZDDQFLRSPBR-INIZCTEOSA-N 439.516 1.684 0 40 IDAB COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)ccc1Br 89404345 DJMKLPDUKARPKC-GFCCVEGCSA-N 433.324 1.377 0 40 IDAB CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)CC1 96124015 NBLYXNAZAXYIGI-HNNXBMFYSA-N 428.497 1.011 0 40 IDAB CN1CC[C@@]2(C(=O)N3CCOCC3)CCN(S(=O)(=O)c3ccc(F)cc3)CC[C@@H]12 96263619 AAGODGPPFNHVLZ-UYAOXDASSA-N 425.526 1.160 0 40 IDAB CCO[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)[C@@]12CCCO2 97115902 AFSPWTBZQCALIL-ROPHOZQPSA-N 438.546 1.600 0 40 IDAB Cc1c(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(=O)n(-c2ccccc2)n1C 225078233 CYNLNEILWBNDTP-UHFFFAOYSA-N 440.481 1.939 0 40 IDAB Cc1nc(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc(C(F)(F)F)n1 225725373 FAJBSWINYAIOST-UHFFFAOYSA-N 449.499 1.560 0 40 IDAB COc1cc(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)ccc1OCCN1CCC(C)CC1 257212209 CCJJXNWAGQPLDS-GOTSBHOMSA-N 446.636 1.598 0 40 IDAB NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccccc2OCCN2CCOCC2)C1 257300315 RTUVZRJTBOIHED-DEOSSOPVSA-N 438.528 1.452 0 40 IDAB CC(C)(C)OC(=O)N1CCC(CC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CC1 390830755 NDMXHNFBAQSQGN-INIZCTEOSA-N 429.525 1.856 0 40 IDAB O=C(NCCCn1ccnc1)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 408615230 NRHAHWKGESYQMA-SFHVURJKSA-N 439.516 1.444 0 40 IDAB CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c1 534741761 UOCAHERLFLJAKJ-OAHLLOKOSA-N 444.435 1.597 0 40 IDAB CO[C@H]1CN(C(C)=O)CCCN(Cc2cc3ccccc3[nH]2)CCCCOC[C@H](O)[C@@H]1O 643912929 DAGGRCTVSPTRHF-HJOGWXRNSA-N 447.576 1.756 0 40 IDAB Cc1ccnc(SCCn2c(N3CCCCCC3)nc3c2c(=O)n(C)c(=O)n3C)n1 9124262 NOBQWAWIZIDALY-UHFFFAOYSA-N 429.550 1.705 0 40 IDAB CCn1cc(C(=O)N[C@@H](C)C(=O)NCCc2ccco2)c(=O)c2cc3c(cc21)OCO3 9418628 MBNAQAOFYCMQHP-ZDUSSCGKSA-N 425.441 1.820 0 40 IDAB COc1ccc(CN(C)CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 9491336 FOVPGTSKPKPBOC-UHFFFAOYSA-N 437.500 1.271 0 40 IDAB CCOC(=O)CC(=O)CSc1nc(-c2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C 9517504 KWUBOKMRSARZRP-UHFFFAOYSA-N 442.497 1.617 0 40 IDAB C[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)N1CCCC1 11998513 XQSKYOKDTRCXIY-AWEZNQCLSA-N 429.564 1.152 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 12085903 IIIQUNQPOFNJMI-SEPYTNNBSA-N 427.549 1.540 0 40 IDAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)c1 12521349 BYFQHJSVWSJCTA-UHFFFAOYSA-N 428.488 1.538 0 40 IDAB CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)CCN1C(=O)NC2(CCCC2)C1=O 13098053 KBXIVJVAURYHFN-UHFFFAOYSA-N 442.925 1.405 0 40 IDAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccc(Br)cc1 13566844 HFDGQPHPRJTQHG-UHFFFAOYSA-N 434.356 1.054 0 40 IDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 13987135 OCISBZHXJCOBQY-DEOSSOPVSA-N 442.604 1.917 0 40 IDAB Cn1c(CCC(N)=O)nnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 14250769 CMPWSEOQYODJJH-UHFFFAOYSA-N 430.534 1.636 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)NCc1ccc(Cl)cc1 19346648 DDEIYVRHBOZLBM-NRFANRHFSA-N 427.892 1.916 0 40 IDAB CCN1CCN(C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)CNC(=O)c2ccccc2O3)CC1 19527779 IUZDXSPIPABEGC-UZUQRXQVSA-N 428.533 1.113 0 40 IDAB COc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)s1 19561976 FPDNATIMUDQWLB-ZDUSSCGKSA-N 438.531 1.135 0 40 IDAB CCN(CC)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 21137591 PPXNFKBFJUDGFO-UHFFFAOYSA-N 440.518 1.270 0 40 IDAB Cc1nnc(NC(=O)CN2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)s1 22714447 RHKNFIWJXPDWID-UHFFFAOYSA-N 432.481 1.511 0 40 IDAB COc1ccc(-c2noc(CN3CCN(CN4C(=O)N[C@H](CC(C)C)C4=O)CC3)n2)cc1 23270470 SXBCDSOULDUCHQ-GOSISDBHSA-N 442.520 1.787 0 40 IDAB CCOC(=O)N1CCC(NC(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)CC1 23805447 ACFZSTGOMNXNAN-JOCHJYFZSA-N 442.472 1.937 0 40 IDAB Cc1oc(C(=O)N2CCC[C@H](C(=O)NCC(C)C)C2)cc1S(=O)(=O)N1CCCC1 48253016 UFZWTPAKMLPCAI-INIZCTEOSA-N 425.551 1.997 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2CN2CCOCC2)C[C@H](C)O1 48274252 PSPOZBKXNOAIMB-IRXDYDNUSA-N 440.566 1.079 0 40 IDAB O=C(NCc1cccc(OCc2ccccn2)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 48367338 AGSGVCBEMWDBAO-PKOBYXMFSA-N 443.525 1.312 0 40 IDAB O=C(c1cn(-c2cc(N3CCCCC3)ncn2)cn1)N1CCN(C(=O)c2ccco2)CC1 49411191 BCQZOMHVSFONKD-UHFFFAOYSA-N 435.488 1.844 0 40 IDAB C[C@@H](C(=O)NCCn1nc(-c2ccccc2)ccc1=O)n1nc(-n2cccn2)ccc1=O 70655915 BOWHTGDOFMOXAO-INIZCTEOSA-N 431.456 1.030 0 40 IDAB Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@@H](C)C(=O)N3CCC(C(N)=O)CC3)CC1)O2 72328084 XPRWRXVZOVIGBF-FYSMJZIKSA-N 441.528 1.824 0 40 IDAB CC(C)NC(=O)Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21 72332054 UFDGFXSVYRXLSF-UHFFFAOYSA-N 426.473 1.493 0 40 IDAB COc1ccc(-c2noc(CCN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)n2)cc1OC 72404422 DFKCSGRCAROIQC-MRXNPFEDSA-N 436.534 1.101 0 40 IDAB COc1ccc(S(=O)(=O)CCNC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)cc1 95474515 GCAYLYLJMCHYPE-UHFFFAOYSA-N 433.461 1.443 0 40 IDAB C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)cc21 100969405 WLDQEENCJRLNMB-RYUDHWBXSA-N 434.543 1.823 0 40 IDAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(S(C)(=O)=O)cc1 223480833 CLIHIXZZPOHMTQ-CYBMUJFWSA-N 446.576 1.966 0 40 IDAB Cc1cc2nc(CCC(=O)N3CC[C@H](n4cc(C)c(O)nc4=O)[C@@](C)(O)C3)[nH]c2cc1C 257269219 MPBKKEXVFJKUGB-MBSDFSHPSA-N 439.516 1.908 0 40 IDAB COc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)cc2)cc1 408614889 JGUITBLWPNFMLR-JKSUJKDBSA-N 441.484 1.563 0 40 IDAB CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1C 575426178 OAMZTBFBDXXWMA-QGZVFWFLSA-N 446.591 1.603 0 40 IDAB CC(C)[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)N1CCN(c2ncccn2)CC1 639519429 KOSQGLDYUDCAMD-HOTGVXAUSA-N 432.554 1.108 0 40 IDAB CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1=O 643557545 XQYNFDWAWDCKFD-HSZRJFAPSA-N 426.517 1.895 0 40 IDAB CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CO1 1153326769 PDYBHGDQSGHXHH-HSALFYBXSA-N 439.597 1.426 0 40 IDAB CC(C)(C)c1ccc(=O)n(C2CCN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)CC2)n1 1775970828 SDQNXOXMEVWHTM-UHFFFAOYSA-N 448.545 1.431 0 40 IDAB Cn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cc(F)cc(F)c5)C[C@@H]4C3)ncnc21 1888930366 XSGKQTMPQXGWNE-KBPBESRZSA-N 434.472 1.540 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5ccc(F)cc5C)C[C@@H]4C3)nn12 1888930459 ASHPRIRZSRFAEH-GJZGRUSLSA-N 430.509 1.891 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5cc(C)ccc5OC)C[C@@H]4C3)nn12 1888941650 HPULLSRURLRTDR-HOTGVXAUSA-N 442.545 1.761 0 40 IDAB CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNC(=O)c1c(F)cccc1F)OC[C@H]2n1ccc(O)nc1=O 2037977892 VLIXHYFCKKWZAH-UTJXIGIESA-N 437.399 1.117 0 40 IDAB COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)N1CCCC1 3327556 JBBHIZGERSUIML-UHFFFAOYSA-N 439.515 1.379 0 40 IDAB CCN(CC)CCCNC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6193104 RENLYIGVONPEEV-UHFFFAOYSA-N 448.589 1.700 0 40 IDAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CCCC1 9184332 LZIZKVJKVUVAPO-LSDHHAIUSA-N 425.526 1.790 0 40 IDAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC[C@H]1COc2ccccc2O1 9222654 PVPJGPIJYOPZTN-AWEZNQCLSA-N 438.527 1.268 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)OCC(=O)Nc2cccnc2Cl)nc1N 9224230 UCMAERWDQXGLBH-UHFFFAOYSA-N 425.854 1.558 0 40 IDAB COc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1 9570235 YGMAMERDIQIGEE-UHFFFAOYSA-N 433.530 1.342 0 40 IDAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCN(c2ncccn2)CC1 9723495 CPDWYKUMAIAAMB-UHFFFAOYSA-N 426.458 1.696 0 40 IDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9822639 ZMXCDCSVJBRIJN-CYBMUJFWSA-N 436.447 1.883 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)n(C)c1=O 12556752 QXJPWEVKHOHLMF-UHFFFAOYSA-N 444.904 1.773 0 40 IDAB O=C(Cn1nc(O)c2ccccc2c1=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 12684907 RRKHKJAJBZRGCU-IBGZPJMESA-N 426.448 1.431 0 40 IDAB CCCCn1c(N)c(N(CCC)C(=O)CCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O 13063518 BUYARDXVYWZPET-UHFFFAOYSA-N 441.488 1.348 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCc1ccccn1 13566678 NWERRHUPQCNTKE-UHFFFAOYSA-N 425.894 1.451 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 13688642 YGESWJYZENGCSF-UHFFFAOYSA-N 434.470 1.827 0 40 IDAB CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 13692010 GPLCAEPYNLSMQM-CHWSQXEVSA-N 432.365 1.612 0 40 IDAB Cc1ccc(NC(=O)CN2CCN(C(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)CC2)cc1 14245746 XCXTVWXAJLFUGO-UHFFFAOYSA-N 449.511 1.171 0 40 IDAB O=C(OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1cc(=O)c2ccccc2o1 17527577 OXNGHVBCAQZKHS-HNNXBMFYSA-N 433.482 1.908 0 40 IDAB Cn1ccnc1-c1nn(CCNC(=O)CNS(C)(=O)=O)cc1-c1ccc(Cl)cc1 19291548 QBZGORIEDVPGKA-UHFFFAOYSA-N 436.925 1.269 0 40 IDAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 19342803 KUCLDZMMXYEUBX-JKSUJKDBSA-N 428.514 1.872 0 40 IDAB CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)n2)CC1 19590127 RZCAEICKXCQFQR-SFHVURJKSA-N 447.605 1.694 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN3C(=O)c3cnccn3)nc2n(C)c1=O 19743620 KZWAHCAFYOSINK-ZDUSSCGKSA-N 434.378 1.418 0 40 IDAB CCOC(=O)c1nnn(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1C(=O)OCC 20182514 VDJFWGDVIUXNRY-UHFFFAOYSA-N 440.840 1.941 0 40 IDAB O=C1c2ccccc2C(=O)N1CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1 22884031 HVKVPNFAQHPXDD-UHFFFAOYSA-N 433.511 1.491 0 40 IDAB O=C(CCCn1cnc2ccccc2c1=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24777723 CUOQFGHDFDTHRB-UHFFFAOYSA-N 444.499 1.501 0 40 IDAB CC(=O)OC1[C@H](OC(C)=O)C(=O)N(c2ccccc2C(F)(F)F)C(=O)[C@H]1OC(C)=O 28539530 SRFRFBMTKZZFFR-GJZGRUSLSA-N 431.319 1.374 0 40 IDAB O=C(CNC(=O)c1cccc(Br)c1)NCc1cccnc1N1CCOCC1 31327938 SBEQFPSJFAKYAJ-UHFFFAOYSA-N 433.306 1.727 0 40 IDAB CNS(=O)(=O)c1cc(/C=C/C(=O)NCCc2ccc3c(c2)OCCO3)ccc1OC 31351389 JRDNDHLDCCOZDT-VMPITWQZSA-N 432.498 1.747 0 40 IDAB O=S(=O)(NC[C@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)sc1Cl 32929521 JZACLIPDKLHEPZ-GFCCVEGCSA-N 428.407 1.987 0 40 IDAB NC(=O)c1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCSC[C@H]43)C2=O)cc1 36056357 DDMCZWSOIGUACF-HTAPYJJXSA-N 436.493 1.533 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3cccs3)CC2)CC1 38947024 MDTFJZPXHPGZQQ-HOTGVXAUSA-N 425.576 1.194 0 40 IDAB CCOCCn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952913 BJEJXVGEYSQQDW-UHFFFAOYSA-N 446.939 1.435 0 40 IDAB CCn1cc(C(=O)NCCOC)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 67338592 MESFMGJAPVYDQE-UHFFFAOYSA-N 449.577 1.407 0 40 IDAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CN1C(=O)C(=O)N(C)C1=O)CC2 72281575 IYUGZTOYPKSFKH-GOSISDBHSA-N 443.481 1.660 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC1)CNC2=O 72328024 KYPAOFOCFMPTMV-LNPFQXMTSA-N 445.516 1.205 0 40 IDAB CC(C)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CC1 85419048 WRGMRLARACOQRP-KBXCAEBGSA-N 425.526 1.646 0 40 IDAB COC(=O)C[C@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(O)nc2ccccn2c1=O 96115524 UFGMRBODQXDWBN-OAHLLOKOSA-N 435.436 1.956 0 40 IDAB biogenic COc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)cc1 98213067 YJPFWHCFXHVJRU-UHFFFAOYSA-N 425.420 1.487 0 40 IDAB O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)Nc1ccc(F)c(F)c1 98213099 IMAXDNATMDMUSA-UHFFFAOYSA-N 431.374 1.757 0 40 IDAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C(=O)NC)c3)n2)cc1 223597477 UTQYFQHRYQIBLP-UHFFFAOYSA-N 446.485 1.982 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)CC2)Nc2ccccc21 253615545 OLAMMIFXFAGJMT-VWMXVWASSA-N 440.544 1.704 0 40 IDAB CNC(=O)c1ccc(-c2cccc([C@H]3CN(CC(=O)NCc4ccccn4)CCO3)n2)cn1 257247140 IXRMBOHQSQGCFV-JOCHJYFZSA-N 446.511 1.588 0 40 IDAB O=C(c1ccco1)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@H]2C1 306124582 BTXCRARMCKWSKO-RDJZCZTQSA-N 426.454 1.546 0 40 IDAB NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)c1 523036959 YLRKOXRUUKJGFP-MRXNPFEDSA-N 425.413 1.151 0 40 IDAB COCC(=O)N1CCN(CC2(O)CCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 585284732 ZMTBPDQXJBOLPO-NRFANRHFSA-N 428.476 1.170 0 40 IDAB CC(C)(CC(=O)O)CC(=O)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 604382069 CACVOKWNBPYIOO-GOSISDBHSA-N 429.517 1.315 0 40 IDAB biogenic,in-vitro COc1cccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c1OC(C)=O 1259742 RHWIOKSFSVKWMH-PDGQHHTCSA-N 435.461 1.584 0 40 IDAB COCCNc1nc(SC)nc2c1cnn2CCNC(=O)COc1ccccc1F 8943858 AZFHNANYBNXQKA-UHFFFAOYSA-N 434.497 1.941 0 40 IDAB CC(C)C[C@H](NC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)N[C@H](CC(C)C)C(=O)O 8971094 XUZXPOWLUXOUAD-DLBZAZTESA-N 446.504 1.249 0 40 IDAB biogenic Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(C3CCCCC3)nc2n(C)c1=O 9517456 BGSGOXPVZSAPCN-UHFFFAOYSA-N 433.534 1.026 0 40 IDAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1 11903927 JSSAHHDQHCYFMS-UHFFFAOYSA-N 433.511 1.755 0 40 IDAB O=C(NCc1ccccc1F)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031049 ALSSIZLQLHIIKF-AWEZNQCLSA-N 429.466 1.856 0 40 IDAB CN1C(=O)c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C1=O 12139975 MBNISARBLMYWCR-UHFFFAOYSA-N 429.454 1.186 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3cccs3)NS(=O)(=O)N2C)cc1OC 12159688 YTIKCBFPKGAGIX-LSDHHAIUSA-N 439.559 1.704 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H](c3ccc4c(c3)OCO4)N(C)C)ccc21 12196855 RHSOZTJQVNMHOE-LJQANCHMSA-N 431.514 1.906 0 40 IDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12950034 ZNAQSKINMUUMQF-SNVBAGLBSA-N 431.975 1.302 0 40 IDAB COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(OC)cc2)cc1 13371704 NPZIRZSUZFEDPE-PMACEKPBSA-N 439.555 1.475 0 40 IDAB O=C1[C@H]2C3C=CC([C@H]2C(=O)N1c1cccc(O)c1)[C@H]1C(=O)N(c2cccc(O)c2)C(=O)[C@H]31 13562117 CEYMZESSFHGLPA-QLQTZTHHSA-N 430.416 1.825 0 40 IDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 14338440 NSSSAGLUDHJNKL-HDICACEKSA-N 428.489 1.607 0 40 IDAB C[C@H](C(N)=O)N1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 16587491 ZJHAXBKPMWANQJ-MRVPVSSYSA-N 445.166 1.936 0 40 IDAB Cc1cc(Br)cc(Cl)c1OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 16684582 WRFPEMLUJYEUKL-JTQLQIEISA-N 439.715 1.803 0 40 IDAB CCn1cc(C(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)c(=O)c2ccc(C)nc21 19524431 ICDHFVKTOQQNEP-UHFFFAOYSA-N 446.511 1.932 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)[nH]c(=O)c2C1 19592897 FMQDSBVSUAPVNY-SFHVURJKSA-N 446.454 1.947 0 40 IDAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)nc2c1CCC(=O)N2C 19740582 MXGQQLHGSBJMQW-MRXNPFEDSA-N 444.513 1.991 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 20245204 UHUXARMTSLJQNW-UHFFFAOYSA-N 438.500 1.926 0 40 IDAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccccc1 24841459 FARYHDTYNZQIIV-UHFFFAOYSA-N 437.543 1.730 0 40 IDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3ccc(NS(C)(=O)=O)cc3)c(=O)c12 27991017 FUBUVVRIKYXILU-UHFFFAOYSA-N 433.442 1.729 0 40 IDAB O=C(NCCCN1CCN(c2ncccn2)CC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 31906476 WOPQIIXAPSDSGI-KRWDZBQOSA-N 442.951 1.811 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nc(N)nc(Nc3ccccc3C)n2)c1 32691295 NLOGVGICDBKCTJ-UHFFFAOYSA-N 443.533 1.746 0 40 IDAB CCN(Cc1ccc(Br)s1)C(=O)CN1CCC(NS(C)(=O)=O)CC1 32865307 NVGGJKYJWFEDHG-UHFFFAOYSA-N 438.413 1.873 0 40 IDAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cc1 32912086 RRHZWPLYHFYOAQ-UHFFFAOYSA-N 431.514 1.524 0 40 IDAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCCN(Cc1cccnc1)S(C)(=O)=O 32926397 BMSMSJNRUMIWDE-QGZVFWFLSA-N 448.545 1.664 0 40 IDAB CCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 38240349 SWEAVWUFGJBWNA-UHFFFAOYSA-N 425.551 1.459 0 40 IDAB COc1cccc(-c2nc(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cs2)c1 61722045 VWFAJEHYCVPIKF-KRWDZBQOSA-N 435.571 1.693 0 40 IDAB CC(=O)N1c2ccc(S(=O)(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)cc2C[C@@H]1C 108993482 MTHJBYFAVDVMMB-QWHCGFSZSA-N 449.554 1.771 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2nc(-c3ccccc3Cl)no2)C1 219268405 GOPOKLQWMIHRIS-LBPRGKRZSA-N 427.914 1.525 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)s1 223236397 BFQBJUGBIWHIDO-NSHDSACASA-N 444.560 1.905 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 225200812 YNBPQXJLRBFWTC-QGZVFWFLSA-N 432.546 1.463 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225761399 JFTPHBRUIXTJPP-UHFFFAOYSA-N 438.415 1.601 0 40 IDAB CN(C)S(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 247946068 JYEAVPZCPZDXDT-PBHICJAKSA-N 435.550 1.367 0 40 IDAB CN1c2ccccc2N(CCNS(=O)(=O)c2ccccc2Br)S1(=O)=O 253473414 UUYJIFDFRXHRJH-UHFFFAOYSA-N 446.348 1.929 0 40 IDAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C)cc3)C2)cc1 408659914 TVHIRPLJFCAALL-SFHVURJKSA-N 437.452 1.873 0 40 IDAB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 409177732 CJVJZEBQUDMFJG-UHFFFAOYSA-N 439.559 1.840 0 40 IDAB Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O 575426626 XDVBLTVYONOURX-IAGOWNOFSA-N 429.947 1.997 0 40 IDAB O=C1CCCN1CCCC(=O)N1CCOc2ccccc2CCCOC[C@@H](O)[C@@H](O)CC1 1615152751 DCOPERBTPWJPTM-LEWJYISDSA-N 448.560 1.371 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2c(OC)cc(OC)cc2oc1=O)C(=O)O 2160568 MTODOOJHFQCJAT-GIPWTMENSA-N 448.472 1.393 0 40 IDAB biogenic Cn1c(N)c(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c(=O)n(C)c1=O 3542392 SBPWWGPBYOATJH-UHFFFAOYSA-N 438.469 1.482 0 40 IDAB Cc1nnc(SCCn2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1 8461995 QHVSFWPACQAEFF-PHIMTYICSA-N 435.579 1.858 0 40 IDAB COc1ccc(CNC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)cc1OC 8647666 AEWNSYZEDDQKGP-UHFFFAOYSA-N 426.425 1.550 0 40 IDAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)cn23)n(C)c1=O 8709868 AQLDAETYWROTGD-UHFFFAOYSA-N 425.445 1.409 0 40 IDAB Cc1cc2c(cc1S(=O)(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)n(C)c(=O)n2C 9010484 LHIJUPLHIRFYET-UHFFFAOYSA-N 441.513 1.784 0 40 IDAB O=C(CN1C(=O)COc2ccccc21)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 9223229 MUEAAJWPQQMFTP-INIZCTEOSA-N 448.479 1.856 0 40 IDAB COc1cccc(NC(=O)CSc2nc(CC(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 9517416 PUCIKZHRDBFJGJ-UHFFFAOYSA-N 443.529 1.965 0 40 IDAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2C)cc1 9582914 CTYKMIQXHXJDRB-UHFFFAOYSA-N 447.542 1.793 0 40 IDAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 9660345 XOCPDPIGIRJNBY-UHFFFAOYSA-N 442.501 1.609 0 40 IDAB COc1ccc(OC)c(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)cc2)c1 10111545 CTCABFKNKFICNE-UHFFFAOYSA-N 435.546 1.885 0 40 IDAB COC[C@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 10219919 QYZKQIQVNPTOPG-JTQLQIEISA-N 426.882 1.044 0 40 IDAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 13108710 RYRUFJUSICYZSO-UHFFFAOYSA-N 431.470 1.072 0 40 IDAB COc1ccc([C@H](CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)N2CCCC2)cc1 13120237 ONUBROGZVVGHBZ-IBGZPJMESA-N 430.530 1.446 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)NCc3ccco3)CC2)cc1 13607482 AQIQEKOGOUNEJN-UHFFFAOYSA-N 449.529 1.512 0 40 IDAB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2c1OCCO2 17185147 ZMVGYCUJYYMTDF-LLVKDONJSA-N 436.442 1.298 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 20003237 YMXKTRLANYINCR-UHFFFAOYSA-N 440.543 1.967 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)CC1 22230115 KUBFJINCBCQVSM-QGZVFWFLSA-N 439.534 1.457 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)NC1CCN(Cc2ccccc2)CC1 22786049 XBVGHZWGDSPXRE-UHFFFAOYSA-N 427.593 1.007 0 40 IDAB COCCNC(=O)Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CSC2 23139037 DUOQUEMBTRYCIW-CQSZACIVSA-N 443.529 1.384 0 40 IDAB O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)NCCc3ccccc3)c2)C1 31772812 SBSJKOWVVUZRMR-SFHVURJKSA-N 443.568 1.168 0 40 IDAB CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O 32094984 DEQCDKQGQNKASV-KRWDZBQOSA-N 440.452 1.979 0 40 IDAB O=C1C[C@@H](c2ccccc2O)Cc2c1cnc1nc(NCCN3CCOCC3)[nH]c(=O)c21 38829523 QKGIALZQXQYOEK-AWEZNQCLSA-N 435.484 1.681 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)N[C@H](c2ccccc2F)c2nccn2C)CC1 40155835 GETKABDOPLFBQW-MRXNPFEDSA-N 425.486 1.257 0 40 IDAB COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1 56997894 VBIIIHSAPCHFIH-UHFFFAOYSA-N 440.500 1.359 0 40 IDAB CCOC(=O)Cn1nnnc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 57607015 RUECOLVBHFDDTB-GOSISDBHSA-N 440.504 1.567 0 40 IDAB COc1cc2ncn(CCCC(=O)N3CCC[C@H](NC(=O)C(C)C)C3)c(=O)c2cc1OC 60344851 DFBXXTKPYYDJPB-INIZCTEOSA-N 444.532 1.957 0 40 IDAB COc1ccc(CCN2CC(=O)N(c3ccc(OC)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 63389185 DSFWKBREMJZELW-SFTDATJTSA-N 430.526 1.761 0 40 IDAB CN1CCN([C@@H](C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c2ccccc2)CC1 72298150 XZHDYFBJJFSBAH-GOSISDBHSA-N 426.483 1.892 0 40 IDAB COc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 101352883 RKIWEYVLCSJPEV-OALUTQOASA-N 437.412 1.398 0 40 IDAB Cc1nc(-c2ccc(S(=O)(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)cc2)co1 225634127 AIBGKKNYIAXNJI-UHFFFAOYSA-N 442.501 1.610 0 40 IDAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(n4c(=O)oc5ccccc54)CC2)[C@H]3C1=O 248169325 QYNHFIMZDFWEGO-KCOOYEKVSA-N 437.496 1.948 0 40 IDAB CNC(=O)[C@H]1CN(C(C)C)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 257218465 DDGCVEOALQOQMT-QGZVFWFLSA-N 441.498 1.984 0 40 IDAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3cc(-c4ccccc4F)n[nH]3)CC2)OC[C@]1(C)O 257223110 DVXFTGVCVNTVMG-FPOVZHCZSA-N 430.480 1.867 0 40 IDAB CC(C)n1ccc(C(=O)N2CCN(C)[C@@H](C(=O)Nc3cccc(N4CCCC4=O)c3)C2)n1 257296262 RBZMUWMJPCNUEF-HXUWFJFHSA-N 438.532 1.986 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 408597792 YGNAXASPRSDIQI-OAQYLSRUSA-N 431.558 1.333 0 40 IDAB Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 1557491597 MCYXTLJLVIGSJZ-KRWDZBQOSA-N 442.335 1.085 0 40 IDAB Cc1cc(=O)n(CC(=O)N2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)cn1 1888901005 CWKHUBCDMBJGFS-UHFFFAOYSA-N 425.464 1.648 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)cc1Cl 1888920885 AYROMYVGCMNXCY-OKILXGFUSA-N 448.936 1.852 0 40 IDAB O=C(Cc1ccccn1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243207 RPAVORIDXQQKAW-KRWDZBQOSA-N 426.498 1.069 0 40 IDAB CCOC(=O)C(CCN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1)C(=O)OCC 1641800 WRXQBADSHWKVSI-UHFFFAOYSA-N 431.533 1.890 0 40 IDAB CC1=NN(CCCO)c2nc3c(c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)n2[C@H]1C 8706133 OXUWELZOWCRDON-LBPRGKRZSA-N 448.886 1.877 0 40 IDAB O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8881010 RFTZVBWBMVALDA-LJQANCHMSA-N 429.498 1.450 0 40 IDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8882303 DMBPNYCPXJMKOS-UHFFFAOYSA-N 431.470 1.568 0 40 IDAB CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCCCO)cn3C2CC2)CC1 9060681 MFGUISKHYBFUMI-UHFFFAOYSA-N 430.480 1.256 0 40 IDAB NC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)CC1 9152477 RVFJDZMGSICQGO-UHFFFAOYSA-N 436.497 1.812 0 40 IDAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NC[C@@H]2CCCO2)c2ccccc21 9519600 AUEVIVHLBHRDNG-INIZCTEOSA-N 435.546 1.579 0 40 IDAB CC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)N3CCOCC3)c3ccccc32)CC1 9519849 NJELFYJHCRROFE-UHFFFAOYSA-N 447.557 1.532 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 9877200 SRWBZUCCSMOGAI-QFIPXVFZSA-N 439.424 1.982 0 40 IDAB O=C(NCc1cccs1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 10219823 IQSUMIPZNIEUOO-UHFFFAOYSA-N 434.474 1.756 0 40 IDAB COc1ccccc1CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 11242681 JDKGVESIIJZDNA-UHFFFAOYSA-N 446.525 1.956 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCCCc2ccccc2)cc1 12080773 WGJGYQWDIOELAO-FQEVSTJZSA-N 445.541 1.207 0 40 IDAB O=C([C@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12391490 ZQYKZZFBZDMGKU-MRXNPFEDSA-N 446.510 1.364 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)N1C[C@H](C)O[C@@H](C)C1)c(=O)n2Cc1ccccc1 12532378 URWZBKXAXAMGTG-HOTGVXAUSA-N 425.489 1.064 0 40 IDAB COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)cc1OC 13371175 USQQLGYTTWGMMZ-YOEHRIQHSA-N 445.584 1.537 0 40 IDAB COc1ccc(CCNC(=O)[C@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1OC 13655131 KOSVNBKRFJMXPH-AWEZNQCLSA-N 438.484 1.346 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)COc2ccc(C(C)=O)cc2)c(=O)[nH]c1=O 14624320 PWIJDJQTOZQGOV-UHFFFAOYSA-N 432.477 1.180 0 40 IDAB O=C(c1cnc2n(c1=O)CCS2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 15814308 CDAFFMNQFMEZKG-UHFFFAOYSA-N 440.934 1.149 0 40 IDAB O=C1C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CN1c1ccc2c(c1)OCCO2 16048055 NTRXAMYGAANUFK-CYBMUJFWSA-N 432.454 1.313 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3cccs3)[nH]c2=O)C1 19572904 FOHNVDUGLPSWEX-MRXNPFEDSA-N 436.559 1.445 0 40 IDAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc(=O)n(C)c3)nc(N(C)C)c2C1 19710397 NBPUYSVZFWFEKC-IBGZPJMESA-N 438.532 1.513 0 40 IDAB COCCNC(=O)c1cc([C@H]2CN(C(=O)c3snnc3C)CCO2)nc2ccccc12 19759773 ZYPYBUZYIHSUED-GOSISDBHSA-N 441.513 1.985 0 40 IDAB C[C@@H]1[C@@H](NC(=O)C2CC2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCCN3CCOCC3)[C@H](O)[C@@H]12 20466609 DERGAPNGLWHSKS-GFXCCVESSA-N 449.636 1.789 0 40 IDAB biogenic,in-vitro COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)NCCc2ccccc2)s1 21011216 WGRBHMDTKKZZBN-UHFFFAOYSA-N 432.531 1.984 0 40 IDAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1 22089034 BPZHMALDQWMMRJ-UHFFFAOYSA-N 429.542 1.989 0 40 IDAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 22466465 BFPJUIZHUGQFPU-HXUWFJFHSA-N 427.501 1.931 0 40 IDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)OCc1ccc(S(=O)(=O)C(F)F)cc1 23701958 GMQRLUVHEYGGQX-UHFFFAOYSA-N 430.429 1.981 0 40 IDAB CCOC(=O)N1CCC(NC(=O)[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 24470208 DIWOLUOJCYXUNO-ZDUSSCGKSA-N 437.493 1.568 0 40 IDAB COc1ccc(OCCN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 25777061 CEUHHTVKZSOQPE-UHFFFAOYSA-N 434.514 1.852 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3cc(OC)ccc3OC)C2=O)cc1 26394306 RIMIXZQRXIVMIQ-QFIPXVFZSA-N 427.457 1.796 0 40 IDAB CC(=O)Nc1cccc(NC(=O)C[C@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)c1 32103039 ZEGXHPVCQSBJGC-SFHVURJKSA-N 430.486 1.163 0 40 IDAB CCOC(=O)N1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 36329645 KCLHJTAEPMNDBJ-UHFFFAOYSA-N 440.522 1.003 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nnc(-c4ccn(C)n4)o3)C2)cc1 36700467 WVNDZWXACGVVHY-CYBMUJFWSA-N 446.489 1.518 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2nnc(NC(=O)c3cc(C)on3)s2)CC1 42379159 YGEJWTGIPSHERY-UHFFFAOYSA-N 440.507 1.480 0 40 IDAB CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)[C@@H](C)N3C(=O)NC(C)(C)C3=O)CC2)C1 72394351 IRWPZRFAKFIVSV-OAHLLOKOSA-N 442.516 1.508 0 40 IDAB CC1CCN(c2nnc(SCCN3CCCS3(=O)=O)n2C[C@@H]2CCCO2)CC1 95430753 XZHHQGKMOTXNSJ-INIZCTEOSA-N 429.612 1.821 0 40 IDAB CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccncc3)cn12 96156689 SSDDTWXFNYEKPK-GOSISDBHSA-N 429.488 1.337 0 40 IDAB CCCCNC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1cnc(C)cn1)Cn1ccnc12 96243851 OVGQPWVTQKMEMD-GOSISDBHSA-N 441.536 1.498 0 40 IDAB O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4[C@@H](c5ccco5)c5sc(=O)[nH]c5S[C@@H]43)[C@H]2C1=O 101175841 IOYLOAKNPVOCST-DVRNCUHQSA-N 446.506 1.977 0 40 IDAB CC(=O)N1CCN(C[C@@]2(O)CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)CC1 257286814 PNDWHQLWBLEAMT-IBGZPJMESA-N 428.455 1.245 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)Cc2ccccc2F)cc1 408617562 BNCLZQRWXQZNRP-UHFFFAOYSA-N 449.548 1.773 0 40 IDAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCN3CCOCC3)c2)CC1 408703893 VFRLWMTUXHBWSL-UHFFFAOYSA-N 429.970 1.823 0 40 IDAB CCOC(=O)c1csc(NC(=O)C2CN(c3cc(-n4nc(C)cc4C)ncn3)C2)n1 575609195 KOUFLSKDHOERAW-UHFFFAOYSA-N 427.490 1.987 0 40 IDAB CS(=O)(=O)NCC(=O)N1CCC[C@@]2(CCCCCOc3ccccc3C(=O)NC2)C1 643559291 CCIQVUKAWLLFBU-OAQYLSRUSA-N 437.562 1.527 0 40 IDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccc(S(=O)(=O)N5CCCC5)cc4)C[C@H]3C2)n1 1888903767 VKEUJZPSWJUXDT-KDURUIRLSA-N 441.557 1.778 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1OC 1325752 JSEMXZQHHLJASM-UHFFFAOYSA-N 440.543 1.666 0 40 IDAB Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 6154536 VFGYSNPLOQYUAE-JXMROGBWSA-N 446.554 1.937 0 40 IDAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 8016787 OSFUCVZWRXLFJC-ACEGTKJHSA-N 449.488 1.922 0 40 IDAB COc1ccc(Cl)cc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1 8849055 ZAABFWPXAREZDC-UHFFFAOYSA-N 445.838 1.997 0 40 IDAB CCOC(=O)/C=c1\s/c(=C\c2ccc(F)cc2)c(=O)n1CC(=O)N[C@@H]1CCCC[C@H]1C 9127325 ZAJVTOBDHGIBFN-AFHBOHOSSA-N 446.544 1.916 0 40 IDAB O=C(NCCC(=O)N1CCC2(CC1)NCCc1[nH]cnc12)c1cccc(Br)c1 9410162 OHLVNJYCGHXCSY-UHFFFAOYSA-N 446.349 1.956 0 40 IDAB CC(C)NC(=S)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CCCN21 9433952 FLCOCROZJMYCBQ-MRXNPFEDSA-N 429.546 1.943 0 40 IDAB O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1)OC[C@@H]1CCCO1 12136961 DDBYWWUJLWMZRW-GJZGRUSLSA-N 439.921 1.267 0 40 IDAB CCc1ccccc1N1C[C@H](C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1=O 12690389 KPUVJYRSLBRSAI-QRVBRYPASA-N 434.558 1.797 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)C4CC4)CC3)C2)cc1 12975404 SJGHVPKUNUVBFU-QGZVFWFLSA-N 435.546 1.177 0 40 IDAB COCCNC(=O)[C@@H](c1ccc(C)o1)N(CCOC)C(=O)Cn1nnc2ccccc21 13150782 ZBDOZRVPPVIQPN-HXUWFJFHSA-N 429.477 1.312 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)s1 15286376 ULHWTELLLRPWGI-UHFFFAOYSA-N 440.591 1.821 0 40 IDAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(OC)cc1OC)c(=O)n2C 15880392 UBVHCQCZZFTCLU-UHFFFAOYSA-N 428.445 1.458 0 40 IDAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 19580559 WZQJORJTQNILHJ-OFVILXPXSA-N 435.524 1.861 0 40 IDAB O=C(OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1OC(=O)c1ccccc1)c1ccccc1 28632233 WTTRUBICDWFROZ-CMKODMSKSA-N 436.420 1.907 0 40 IDAB NC(=O)CSc1nnc2n(CCC(=O)NC3CCCCC3)c(=O)c3ccccc3n12 33291984 DWWCFXUAVZHRRI-UHFFFAOYSA-N 428.518 1.461 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 36353518 ZKQHXAFWFQEROZ-SFHVURJKSA-N 430.486 1.163 0 40 IDAB O=C(O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C[C@H]2[C@H]2Sc3[nH]c(=O)sc3[C@H](c3ccco3)[C@H]12 40205452 IOYLOAKNPVOCST-VNSIYCHCSA-N 446.506 1.977 0 40 IDAB Nc1cc(CCCNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)nn1-c1ccccc1 58101274 LFUSDNWTPCJCNP-UHFFFAOYSA-N 426.502 1.001 0 40 IDAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CCN(Cc1cccs1)C2 72330609 WRAJKODGJIHWMZ-SFHVURJKSA-N 429.546 1.992 0 40 IDAB COc1ccc(OC)c2c(=O)c(C(=O)N3C[C@H]4CCc5c(nc(C)[nH]c5=O)[C@H]4C3)c[nH]c12 72336093 RILBMCFZLNUKSH-DOMZBBRYSA-N 436.468 1.739 0 40 IDAB CNc1cc([C@H]2CC(=O)N(CCOC)C2)nc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1 72391851 YSDCZUNTXCFMMQ-INIZCTEOSA-N 447.561 1.610 0 40 IDAB COc1ccc([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4cccc(C(=O)O)c4)C(=O)[C@@H]32)c(OC)c1 106937993 RLIAYFATZPZDJF-XSLAGTTESA-N 440.408 1.305 0 40 IDAB COC(=O)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1cccnc1 108169767 MUVXZKLWJNOJTN-NVXWUHKLSA-N 437.543 1.883 0 40 IDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)n1 257210768 BWCAELOCEJTCOR-LJQANCHMSA-N 448.527 1.953 0 40 IDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CC[C@]2(c3ccc(F)cc3)NC(=O)NC2=O)[C@H]1O 257294777 QVRFDIGDPDZAOW-BZSOYRFXSA-N 429.452 1.026 0 40 IDAB O=C1CCCN1CCOCC(=O)N1CCC[C@H](c2n[nH]cc2C(=O)N2CCCCC2)C1 257308572 TXGJBDKOTQZSRI-KRWDZBQOSA-N 431.537 1.381 0 40 IDAB Nc1ncnc2c1ncn2[C@H]1CCCC[C@H](NC(=O)CC2(CC(=O)O)CCCC2)[C@@H]1O 257313828 UUGNZJVVJJRBEA-DEYYWGMASA-N 430.509 1.795 0 40 IDAB CS(=O)(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 604381006 AUTAKMOJECFMJX-OAHLLOKOSA-N 435.468 1.116 0 40 IDAB biogenic,in-vitro O=C([C@H]1CCCC(=O)N1Cc1ccc(F)cc1)N1CCN(c2ccc3nncn3n2)CC1 2298087843 JZWLJOIXUGABLB-GOSISDBHSA-N 437.479 1.493 0 40 IDAB COc1ccc2[nH]c(=O)c(CN(CCO)Cc3nnnn3CCc3ccccc3)cc2c1 1373574 JRSZTWVMHKIWDF-UHFFFAOYSA-N 434.500 1.760 0 40 IDAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCC(=O)N1CCC[C@H]1C(=O)O 2100426 MYEBSGLHYINPDK-KRWDZBQOSA-N 428.441 1.242 0 40 IDAB biogenic CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 9550956 JZYUPZQHUUKQJF-AWEZNQCLSA-N 443.481 1.888 0 40 IDAB Cc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1S(=O)(=O)N(C)C 9689713 NRGZKAXAPVPRFR-UHFFFAOYSA-N 439.534 1.424 0 40 IDAB CCN(CC(=O)Nc1ccc(F)cc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430651 XNAKZCCIMLABTI-UHFFFAOYSA-N 429.427 1.910 0 40 IDAB COc1cc(C(=O)N2C[C@H]3Cc4cnc(N5CCOCC5)nc4[C@H]3C2)cc(OC)c1OC 12232737 UKHXZLSEMJBRAE-SJORKVTESA-N 440.500 1.751 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1OC 13009299 YUMYPQUFHDNKMF-UHFFFAOYSA-N 444.517 1.499 0 40 IDAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 14246208 XYFGFVJOGLUSAU-AWEZNQCLSA-N 434.518 1.828 0 40 IDAB COc1ccc(CC(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1OC 15716667 DILNYOQWMGHLTH-UHFFFAOYSA-N 446.525 1.857 0 40 IDAB CC(C)N1CCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 19447967 FCCXTESTXGAZNA-UZUQRXQVSA-N 427.549 1.492 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 19695008 XUKCAWPEYQNUFN-QGZVFWFLSA-N 446.511 1.637 0 40 IDAB CCS(=O)(=O)N(C)Cc1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 19700815 RDCCFEUOUAAYQP-CQSZACIVSA-N 435.525 1.984 0 40 IDAB COc1cc(Br)c(CC(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)cc1OC 25054706 WRYATXSGHIPMGX-VIFPVBQESA-N 429.267 1.929 0 40 IDAB COc1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)cc1S(=O)(=O)N1CCCCC1 32912426 ZISXPWABKYSCAZ-HIFRSBDPSA-N 428.532 1.020 0 40 IDAB O=C(Nc1cccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1)c1cccs1 35334221 LLJSVTMZCLDHQH-UHFFFAOYSA-N 442.541 1.617 0 40 IDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)cc1 38828339 KIDOQXBZHPHDAE-CQSZACIVSA-N 425.445 1.611 0 40 IDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCN(C(=O)N4CCCCC4)CC3)c(C)c12 40072734 RKDLNMNDJQFNPE-UHFFFAOYSA-N 428.537 1.561 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cccc4c3OCCO4)CC2)o1 48375473 QNCAFLYBFOOKMO-UHFFFAOYSA-N 436.486 1.734 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOCC3CC3)CC2)o1 58004150 ATBFECQFCCRIIN-UHFFFAOYSA-N 442.534 1.790 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(CCOc3ccccc3)CC1)n2C 62579975 XWCVPCUNUMQYTF-UHFFFAOYSA-N 440.548 1.420 0 40 IDAB Cc1nc(OCC(=O)NCCNc2cc(-n3cnc(C)c3C)ncn2)cc(-n2cccn2)n1 90607710 ZZUUTIMQGWCNKN-UHFFFAOYSA-N 448.491 1.170 0 40 IDAB O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)Nc1ccc(F)cc1F 98213202 WJCRONMAZSZHEF-UHFFFAOYSA-N 431.374 1.757 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2ccccc21 100876269 NNYVFDUEHCLZFB-VXPUYCOJSA-N 433.511 1.867 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2)cc1 101494088 CEVOSYZYPKOCBS-QKLQHJQFSA-N 442.603 1.773 0 40 IDAB CCN1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 257208726 BNKGWQBOQWSFGK-UXHICEINSA-N 449.511 1.339 0 40 IDAB CC(=O)NCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 257298184 RKNUXTQXPSSURL-KRWDZBQOSA-N 439.491 1.508 0 40 IDAB CCOc1c(I)cc(/C=C2\NC(=O)N(CC(=O)O)C2=O)cc1OC 408586691 AYXHMEAKGLMIPX-YHYXMXQVSA-N 446.197 1.676 0 40 IDAB Cc1ccc(Cl)cc1S(=O)(=O)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 575426624 XBCARADETODUPP-ZIAGYGMSSA-N 441.980 1.013 0 40 IDAB O=C1CN2CCN(S(=O)(=O)C3CC3)C[C@@H]2COc2ccc(-c3cccnc3F)cc2N1 1772594488 FOVDENSTILCRAH-OAHLLOKOSA-N 446.504 1.697 0 40 IDAB O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363894 BRHZFBCYVFFKCA-CQSZACIVSA-N 430.465 1.841 0 40 IDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 3426735 ZROMIXYVWRLPEA-KDOFPFPSSA-N 434.518 1.218 0 40 IDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 12568742 HXBPVAYWEYHAIO-PGRDOPGGSA-N 447.557 1.720 0 40 IDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)[C@@H](C)O)CC1 12866560 DSYKOLXYZDJCGD-KBMXLJTQSA-N 443.541 1.115 0 40 IDAB biogenic Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 12875063 HIANQMRXMBJCIV-GCJKJVERSA-N 436.472 1.486 0 40 IDAB CC(C)CC[C@@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 13058902 KCSJUIKUYZJRLS-GOSISDBHSA-N 428.580 1.759 0 40 IDAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 14023026 GEEKEFFUHMNCLW-MRXNPFEDSA-N 437.497 1.084 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 15270493 OVEXGGMOWRZRKI-UHFFFAOYSA-N 442.474 1.964 0 40 IDAB COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 15933649 GREBDEIKMXJQTL-MRXNPFEDSA-N 425.551 1.463 0 40 IDAB CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1Cl 16839457 XEDJURCKZMZDME-CYBMUJFWSA-N 435.912 1.739 0 40 IDAB O=C(c1cccnc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)[nH]c2=O)C1 19337754 KWNIJNJXZWSJCI-OALUTQOASA-N 437.500 1.596 0 40 IDAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N1CCN(CCO)CC1 20572690 JUMFCCWKMVDSGG-SFHVURJKSA-N 428.537 1.117 0 40 IDAB CC(C)C(NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O)C(C)C 22386501 HQGHHSJIIWMGLY-UHFFFAOYSA-N 433.596 1.500 0 40 IDAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(C)c3nc4ccccc4nc32)c1=O 22503322 NYOJXMWUESVUBK-UHFFFAOYSA-N 430.468 1.609 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 27409456 HIOZXQSIOKYIPZ-UHFFFAOYSA-N 439.921 1.975 0 40 IDAB CCn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2c(C)nn(C)c2c1=O 28556862 HMUDCBMCFNOOLC-UHFFFAOYSA-N 430.534 1.110 0 40 IDAB COc1ccccc1[C@@H](NC(=O)CCNS(=O)(=O)c1c(C)noc1C)c1nccn1C 32842430 LKTKRGWACVUQMV-GOSISDBHSA-N 447.517 1.608 0 40 IDAB C[C@@H]1O[C@H]2OC(=O)[C@]3(C)CC4=C(CO)C5=C(CC(=O)[C@@]4(C)[C@H](C1=O)[C@H]23)C(C)(C)OC(=O)C5 35457819 JIEVZPUBUDASNE-VNSTWIAPSA-N 444.480 1.790 0 40 IDAB biogenic,in-vitro O=C(NCc1cccc(OCc2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 48288251 GHFARSPWAHQPRP-WOJBJXKFSA-N 442.537 1.917 0 40 IDAB COc1ccc([C@H](CNCc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)N2CCOCC2)cc1 79108817 NHNCQFRNEKBKHD-VXKWHMMOSA-N 448.589 1.589 0 40 IDAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCCc1csc(-n2cccn2)n1 90703368 QLBUHNCSUYAZCG-CYBMUJFWSA-N 428.543 1.770 0 40 IDAB CCc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12 96306408 VQXQIDFEUAWZIZ-UHFFFAOYSA-N 442.479 1.853 0 40 IDAB COc1ccc(N([C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC 220235124 RQZYNSSMBJJKDV-ZDUSSCGKSA-N 436.486 1.903 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2c(OC)cccc2OC)cc1OC 226036806 GTMJCTCFFWUSGH-UHFFFAOYSA-N 438.502 1.658 0 40 IDAB CCc1cc2c(NCCC(=O)N3C[C@@H](O)[C@H](n4cc(C)c(O)nc4=O)C3)ncnc2s1 257313677 UTPBBTQYFIGRQJ-HUUCEWRRSA-N 444.517 1.071 0 40 IDAB Cc1nc(C(=O)N2C[C@H]3c4nc(=O)c(C(=O)NC5CCCCC5)cn4C[C@H]3C2)cs1 306124065 BEUNAFVZKWYEFG-DZGCQCFKSA-N 427.530 1.940 0 40 IDAB COc1ccccc1CNS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408602871 JOCJZBIHPZXRKP-MRXNPFEDSA-N 434.514 1.800 0 40 IDAB COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 585262318 YGVHBKMQSHFMKD-HTDNTCHWSA-N 425.529 1.521 0 40 IDAB COc1cc(C)c(C)cc1S(=O)(=O)N1C[C@H]2CN(c3ccc4nnc(C)n4n3)C[C@@H]2C1 1888919654 GRDAHAASWWTYHB-IAGOWNOFSA-N 442.545 1.815 0 40 IDAB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NC[C@@H]3CCCO3)nc(C(C)C)nc21 3405888 HHCYYABWCZVWLP-ZDUSSCGKSA-N 435.550 1.411 0 40 IDAB O=C(COC(=O)c1cccnc1Nc1ccccc1F)NCCN1C(=O)CSC1=O 8686257 UNPXDEKRXSDGCU-UHFFFAOYSA-N 432.433 1.933 0 40 IDAB COCCCn1cnnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8686764 OKCJMLNJBGRLCG-UHFFFAOYSA-N 439.563 1.830 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCN2C(=O)c3ccccc3C2=O)cc1 9396866 VVXFYJISQDQNTN-SFHVURJKSA-N 428.466 1.945 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 9449750 GHJDHKYLSHCQGA-UHFFFAOYSA-N 426.502 1.508 0 40 IDAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O 9494305 FOSADTXPKMWPJB-IBGZPJMESA-N 431.495 1.676 0 40 IDAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccccc1 9519736 VGBSPUDNJSLBQE-UHFFFAOYSA-N 441.509 1.913 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc1 9674856 VTCXGOMCZWQORZ-ROUUACIJSA-N 439.403 1.934 0 40 IDAB O=C(NCc1cccnc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 10219819 KLRYYEZULURUPE-UHFFFAOYSA-N 429.433 1.090 0 40 IDAB COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)c1 12029789 JMVNJXIOIAMRGP-INIZCTEOSA-N 439.511 1.917 0 40 IDAB COC(=O)[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 12950318 ZDAGFGFLWFXCMT-MRXNPFEDSA-N 441.303 1.758 0 40 IDAB COc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1 13031328 IAVHGZYYVUKMSX-UHFFFAOYSA-N 433.530 1.957 0 40 IDAB COCCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)C(C)C)c(=O)n2Cc1ccccc1 14073135 WAQXQBARLBLQSM-INIZCTEOSA-N 427.505 1.215 0 40 IDAB COc1cc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc(OC)c1OC 16689894 HPWYJAOCIQTYOX-UHFFFAOYSA-N 443.504 1.301 0 40 IDAB COc1cccc(C(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1OC 17012519 DYLODVNUTHGESV-UHFFFAOYSA-N 427.505 1.601 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCN(c2ccccc2F)CC1 18493529 IKABAYGKCKAIOD-QHCPKHFHSA-N 438.459 1.704 0 40 IDAB COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)CCc1c(C)nc2ncnn2c1C 19236197 CDOWAMCTJNJJOX-UHFFFAOYSA-N 440.460 1.823 0 40 IDAB Cc1sc2ncn(CC3(O)CCN(CC(=O)N4C[C@H](C)O[C@H](C)C4)CC3)c(=O)c2c1C 19561429 CMGRSHKVYDTXCL-GASCZTMLSA-N 448.589 1.538 0 40 IDAB COc1cc(C(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)nc(OC)n1 19585745 PMECSHOXGWKXFN-UHFFFAOYSA-N 439.476 1.211 0 40 IDAB COc1ccc(Cn2ccn(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)c2=O)cc1 20488715 GTTZMJGOTCAFRT-UHFFFAOYSA-N 425.441 1.723 0 40 IDAB C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 48302493 KULHQTZOBFRAEZ-GXTWGEPZSA-N 437.616 1.987 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(S(=O)(=O)C2CCCCC2)CC1 56937708 FHCHWTYIBKOVJK-KRWDZBQOSA-N 444.623 1.644 0 40 IDAB Cc1cccc([C@H](CNC(=O)CS(=O)(=O)NC2CCC(C)CC2)N2CCOCC2)c1 60370506 FHJPXBXSAKUALU-JITJBCMDSA-N 437.606 1.983 0 40 IDAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@]23C(=O)Nc2ccccc23)cc1 61999544 YVPVISMCYDZJKM-YAEBDLLGSA-N 436.468 1.503 0 40 IDAB biogenic CCN1CCN(c2nc3ncn(CC(=O)N[C@@H]4CCc5ccccc54)c(=O)c3s2)CC1 67225997 KFRNUMLAORXJIA-QGZVFWFLSA-N 438.557 1.799 0 40 IDAB Cn1c(=O)c2[nH]c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2n(C)c1=O 95618540 HVURILAUYRCZAV-UHFFFAOYSA-N 444.539 1.868 0 40 IDAB COc1ccc(C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)C[C@]32CCN(C)C2=O)cc1 96144061 IYBUKRHHXPFKNG-NRFANRHFSA-N 435.546 1.041 0 40 IDAB CC(C)C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100928567 HUYQJPSECCTJSR-RGYORQFESA-N 431.514 1.494 0 40 IDAB Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)no1 102539704 GIOATLHAKLVXOT-YRJWVXGYSA-N 449.463 1.883 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1 220210209 SCWNHKCEDPIDLC-AWEZNQCLSA-N 443.522 1.159 0 40 IDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCSc2nc(C)n[nH]2)cc1 222722057 YUWTXADYAANOFM-UHFFFAOYSA-N 427.552 1.479 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccc1 224722870 ZWZHXEKFLNZLMZ-UHFFFAOYSA-N 446.573 1.448 0 40 IDAB COc1cc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc(OC)c1OC 225088958 ZMUALMFNGKPQDT-UHFFFAOYSA-N 434.470 1.844 0 40 IDAB O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3Cl)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1 225518497 ATARGYCPZKVKCF-ZLJHSHKTSA-N 430.879 1.973 0 40 IDAB biogenic,in-vitro C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 245229731 DVYIPXPDIFRZMK-JTDSTZFVSA-N 432.550 1.758 0 40 IDAB O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC2CCCC2)N(C2CC2)C(=O)[C@H]13 245230324 PEQRRQDTRSBGEN-VWUIQGKGSA-N 435.524 1.675 0 40 IDAB Cc1cn([C@@H]2CN(C(=O)CCCn3c(C(C)C)nc4ccccc43)C[C@H]2O)c(=O)nc1O 257216327 CUAIBVUFQNYVGZ-RTBURBONSA-N 439.516 1.955 0 40 IDAB CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@H](O)[C@@H](N(C)C(=O)CC2CCOCC2)C1 257277796 NZKFEOXSXSJSCI-NEUULRRLSA-N 432.561 1.610 0 40 IDAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)cc1 408614856 IWUAOKOOIJMUKS-SJORKVTESA-N 425.485 1.862 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 409146325 SCQDSLMSXFKWFI-UHFFFAOYSA-N 431.514 1.346 0 40 IDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 575426767 ZMUZSQFBVXAXTG-OLZOCXBDSA-N 437.923 1.395 0 40 IDAB Cc1cc(C)cc(S(=O)(=O)N2CCn3cc(CC(=O)N4CCOCC4)nc3[C@@H]2C)c1 585098222 SJIDKSIGASPIDK-KRWDZBQOSA-N 432.546 1.667 0 40 IDAB Cc1nnc2n[nH]c(NC(=O)[C@H]3[C@@H]4C(=O)N(CC(F)(F)F)C(=O)[C@H]4C=C[C@H]3C)c2c1C 1140401205 HTROFTQCQJFMAB-DRBGRCKSSA-N 436.394 1.894 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cn1C 1775972409 FUZBRQYADAUBLE-UHFFFAOYSA-N 444.443 1.086 0 40 IDAB Cc1n[nH]c(C)c1CC(=O)N1CCOc2ccccc2CCCOC[C@@H](O)[C@@H](O)CC1 2037976892 DYARDOPXVACBMF-LEWJYISDSA-N 431.533 1.551 0 40 IDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 712484 NICMUECLWBKVFD-IBGZPJMESA-N 449.529 1.289 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 3330284 VCSAHYUQFGEQCF-UHFFFAOYSA-N 449.510 1.336 0 40 IDAB CCN1C(=O)[C@H]2[C@@H](c3ccccc3F)N[C@@](Cc3ccc(O)cc3)(C(=O)OC)[C@@H]2C1=O 4388463 DVARYMCFDJNTDD-ISJRUSPKSA-N 426.444 1.951 0 40 IDAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H]4CS(=O)(=O)C[C@H]4O)c(C)c3cc2c1C 8765227 CWLPYTGPRICPQL-IAGOWNOFSA-N 433.482 1.671 0 40 IDAB biogenic C[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)OCO2 8772672 ZFWBAVWGYFKUDD-SECBINFHSA-N 426.834 1.900 0 40 IDAB O=C(COC(=O)/C=C/c1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9138634 YHKHYYWVECOHQR-VOTSOKGWSA-N 436.511 1.964 0 40 IDAB COc1ccc(C2=NN(C(=O)CSc3nnc(C)c(=O)n3N)[C@H](c3ccco3)C2)cc1 9545976 IHRYYBPNZOECIM-INIZCTEOSA-N 440.485 1.732 0 40 IDAB O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9579781 LVOPPQSXMCGXBB-UHFFFAOYSA-N 442.501 1.854 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3ncccn3)CC2)c1 9608845 KRALWQDGEJSKEL-UHFFFAOYSA-N 444.561 1.290 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1ccc2c(c1)OCCO2 12235971 YIASKQMAFMCFPC-CQSZACIVSA-N 427.504 1.432 0 40 IDAB CN1C(=O)Cc2cc(C(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)ccc21 12599259 SRCWXEUCILTERW-LBPRGKRZSA-N 434.543 1.286 0 40 IDAB CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)Nc2ccc(C)cc2)c(=O)[nH]c1=O 13057387 XMPLTQIVRPQUJL-UHFFFAOYSA-N 431.493 1.236 0 40 IDAB COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc(OC)c1OC 13628341 DBJBXZBUIBMHFA-VVSIHKJWSA-N 441.440 1.934 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc([C@@H]4CCc5nncn5C4)cc3)ccc21 19699172 MYCQTKRXYYAZQU-OAHLLOKOSA-N 438.513 1.999 0 40 IDAB Cc1c(C(=O)N2CCO[C@@H](c3c(C(=O)N(C)CCO)sc4ncccc34)C2)cnn1C 19703002 MDGRECIZTALHOJ-MRXNPFEDSA-N 443.529 1.616 0 40 IDAB CCc1nnsc1C(=O)N1CCO[C@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19703054 KJMMOBRRACLXIF-ZDUSSCGKSA-N 447.542 1.646 0 40 IDAB Cc1ccc(CS(=O)(=O)N2CC[C@@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)cc1 19757811 LYCREYWRUFENIR-LJQANCHMSA-N 444.557 1.885 0 40 IDAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc3c(cc2Cl)OCO3)c1=O 32810214 XKXFRRNEELXZNT-UHFFFAOYSA-N 435.868 1.140 0 40 IDAB CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(Br)cc1 39985356 ZCWKAELPNZFTRL-UHFFFAOYSA-N 432.340 1.184 0 40 IDAB COc1cc(C(=O)N[C@@H]2CCCS(=O)(=O)c3ccccc32)cc(OC)c1OCC(N)=O 58172382 DDHBTTFOXLETRH-OAHLLOKOSA-N 448.497 1.607 0 40 IDAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)Nc3cccc(F)c3)C2)CC1 79017816 ZDTMFGQWFKMYFV-UHFFFAOYSA-N 442.513 1.924 0 40 IDAB Cc1nc(N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c2cc[nH]c2n1 79061601 GZGRHXTXYFIQGR-UHFFFAOYSA-N 436.538 1.337 0 40 IDAB CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccncc4)cn23)CC1 96267402 LXVGUHOLJMBVRQ-UHFFFAOYSA-N 427.530 1.388 0 40 IDAB O=S(=O)(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2cnc(Cl)cn2)cc1 97117314 GRQRNABHCOAIMF-UHFFFAOYSA-N 430.817 1.771 0 40 IDAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 102146930 NIVGLXXJIRMIAK-HZPDHXFCSA-N 443.500 1.729 0 40 IDAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[C@@H]1CCN(c2ccccn2)C1 509732518 XTIORBJTPHLZIF-LJQANCHMSA-N 431.562 1.988 0 40 IDAB CS(=O)(=O)c1cccc2c1CCCN2CC(=O)NCC1(N2CCOCC2)CCCCC1 1116342188 FQTSXXPVTORSPQ-UHFFFAOYSA-N 449.617 1.994 0 40 IDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 917515 ASNFDWGSRPPKCG-UHFFFAOYSA-N 437.437 1.512 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 1361399 BBDYGCSMKBSQPU-UHFFFAOYSA-N 427.490 1.132 0 40 IDAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1 1363906 MXXDERMISKKKKI-OAHLLOKOSA-N 442.501 1.710 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 4082293 PSASLMAQFDNENA-JXFKEZNVSA-N 432.565 1.428 0 40 IDAB biogenic COCCn1c(=O)[nH]c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc2c1=O 4791797 GNSKXSYRCBDHQQ-UHFFFAOYSA-N 429.429 1.614 0 40 IDAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 8707207 LOIMBRSYZZHHFB-JOCHJYFZSA-N 438.440 1.353 0 40 IDAB CCc1noc(C)c1C(=O)N(Cc1ccccc1)c1c(N)n(CCOC)c(=O)[nH]c1=O 9253847 CWKQNEZIUQFDSQ-UHFFFAOYSA-N 427.461 1.471 0 40 IDAB CC(C)C[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(I)cc1 9562219 WCIOPRGJLDRDQR-GFCCVEGCSA-N 433.246 1.856 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NC(=O)Nc1ccc2c(c1)OCO2 9873814 DILVJMQWYXBPNT-QFIPXVFZSA-N 436.424 1.847 0 40 IDAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCCOC(C)C)CS(=O)(=O)C3)c(C)c1 10250614 NNJMQDRYTKQXAY-UHFFFAOYSA-N 448.545 1.787 0 40 IDAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@H]1C 10734303 ZKJANBXPNILKEK-MDZRGWNJSA-N 438.546 1.948 0 40 IDAB CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 10892572 MKJZSSLNHFCULG-UHFFFAOYSA-N 439.515 1.801 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc([C@H]4CCCO4)o3)CC2)cc1 10971673 XFXFNVOIJFXMJJ-MRXNPFEDSA-N 436.490 1.969 0 40 IDAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)C1=O 11859329 XUJNSFBYGDTHEB-INIZCTEOSA-N 449.554 1.510 0 40 IDAB Cc1nccc(-c2sc(C3CCN(C(=O)Cn4ccc(=O)[nH]c4=O)CC3)nc2C)n1 12668014 RSDLIKZYBWTUNU-UHFFFAOYSA-N 426.502 1.473 0 40 IDAB Cc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1S(=O)(=O)N1CCCCC1 13145527 FZRYQJWUUADCDH-UHFFFAOYSA-N 441.513 1.913 0 40 IDAB COc1ccccc1NC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 13682100 MFZJVYXXHJPMBJ-MRXNPFEDSA-N 431.514 1.851 0 40 IDAB CC(C)CN(C(=O)CN1C[C@@H](C)O[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 15350071 IBBJBLZPEMJOFZ-IAGOWNOFSA-N 443.548 1.265 0 40 IDAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(NC(C)=O)cc1)c(=O)n2C 15880406 RCDCBCBKBISBBF-UHFFFAOYSA-N 425.445 1.399 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(C(=O)CC4CCCCC4)C3)[nH]c(=O)c2C1 19572675 MGRQFIKTQKLHMM-MRXNPFEDSA-N 436.578 1.764 0 40 IDAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](c2ncc(C(=O)NC)c(C)n2)C1 19763605 YPXSAZKOZQWUCS-OAHLLOKOSA-N 430.530 1.958 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 20033540 GJFPUQWZVQBUKN-UHFFFAOYSA-N 446.554 1.815 0 40 IDAB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N2CCN(C)CC2)cc1 22795260 LSZJDNXSZAOCRX-JOCHJYFZSA-N 440.544 1.425 0 40 IDAB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C[C@@H](C)O1 23113489 WCBJNPWTDHKEBU-QZTJIDSGSA-N 428.533 1.940 0 40 IDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 27182931 HNDSQXBNXQYHSD-GJZGRUSLSA-N 425.407 1.727 0 40 IDAB COc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)n2N)c(OC)c1 27546289 VVXZATBOIVRJHD-UHFFFAOYSA-N 441.513 1.999 0 40 IDAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)C1 30867861 XRLZFFGOGOSEFX-CALCHBBNSA-N 428.574 1.923 0 40 IDAB COc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 31772963 JAHRJFBXQITWCS-OAHLLOKOSA-N 445.540 1.457 0 40 IDAB Cn1ccnc1[C@@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccc(Cl)cc1 36396042 COQVANQUJTWZQJ-INIZCTEOSA-N 429.893 1.783 0 40 IDAB COCCN(CCOC)CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 36796020 RPJGQQFTYAXUSE-UHFFFAOYSA-N 439.578 1.345 0 40 IDAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CCN(Cc1cccs1)C2 72330608 WRAJKODGJIHWMZ-GOSISDBHSA-N 429.546 1.992 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc(C3CCN(C[C@H]4CC=CCC4)CC3)[nH]c(=O)c2C1 72399032 GLUMIEYRUIRYBH-INIZCTEOSA-N 435.594 1.470 0 40 IDAB O=C(CN1CCOc2cccc(F)c21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 79103666 UGEPKMTWRVGPOV-UHFFFAOYSA-N 435.477 1.684 0 40 IDAB CNC(=O)c1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5ccccc5[C@@H]4[C@@H]3C2=O)cc1 79478215 WOBLPFFOUXIMJB-VYDXJSESSA-N 435.461 1.524 0 40 IDAB CN1[C@@H](CCC(=O)NCc2ccc(F)cc2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ncc[nH]1 96536579 KTULLBQPMRPYKB-UEXGIBASSA-N 428.512 1.019 0 40 IDAB biogenic,in-vitro CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(I)c1 97379369 RAVAWLUJURWVGF-NXEZZACHSA-N 428.317 1.943 0 40 IDAB CCc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc5c(c4)OCCO5)[C@@H]3C2=O)cc1 100033009 IQTAYBXSABNVRF-PMACEKPBSA-N 435.440 1.952 0 40 IDAB Cc1ccc(=O)n(CC2(O)C[C@H]3CCC[C@H](C2)N3C(=O)Cc2ccc3c(c2)OCO3)n1 100146956 JSIVHZOTRVNNRD-QZTJIDSGSA-N 425.485 1.798 0 40 IDAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)CN(C)[C@H]3CCS(=O)(=O)C3)nn2c1O 247976364 IPAKGPDUOJFWGH-WMLDXEAASA-N 435.550 1.088 0 40 IDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4ccc5c(c4)OCO5)C[C@@H]32)cc1 306141160 VMTFRXJMPOIACG-RTBURBONSA-N 432.480 1.720 0 40 IDAB Cc1ccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 408619770 NGSHXVYLCIIYOF-UHFFFAOYSA-N 431.558 1.947 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408653827 FYMRAIOUMRXVPG-YMJGMLMDSA-N 430.457 1.605 0 40 IDAB O=C(NCc1nccnc1-c1cccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 575618590 CSMSCSIGXKKDGF-UHFFFAOYSA-N 439.497 1.490 0 40 IDAB COc1cccc(-c2cc(C(=O)N3CCCN(c4ccc5nncn5n4)CC3)n(C)n2)c1 1565523553 QNSGIKUJULLWPN-UHFFFAOYSA-N 432.488 1.886 0 40 IDAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O)c1cccs1 8704904 RYDFSALPXCGJDA-BLVKFPJESA-N 425.474 1.368 0 40 IDAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1 9001627 XZNMCXKABDBCOO-UHFFFAOYSA-N 429.436 1.843 0 40 IDAB COCCN(C(=O)c1oc2ccccc2c1COC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9125545 BIMGEDMYFNDYNH-UHFFFAOYSA-N 444.488 1.961 0 40 IDAB COc1ccc(NC(=O)COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1OC 9551528 FNSGHDYBCSHEKQ-UHFFFAOYSA-N 447.469 1.314 0 40 IDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9822645 ZMXCDCSVJBRIJN-ZDUSSCGKSA-N 436.447 1.883 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1 10188051 NIUBCRSLVCTGNY-UHFFFAOYSA-N 446.437 1.433 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc(OC)c2)n2nnnc2N1 10232157 RFELKZFCRMHPLN-QGZVFWFLSA-N 436.384 1.915 0 40 IDAB CCOC(=O)CNC(=O)CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1 10384923 XZZBWVPCDIHHEH-UHFFFAOYSA-N 446.407 1.790 0 40 IDAB O=S(=O)(NCCNc1ccc(Nc2ccccn2)nn1)c1ccc2c(c1)OCCO2 11697453 VDBRSHCSWDHMPQ-UHFFFAOYSA-N 428.474 1.777 0 40 IDAB CCc1nnc(NC(=O)CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)s1 11758098 GMWYSPDNPWDSHG-UHFFFAOYSA-N 435.535 1.295 0 40 IDAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031078 RVZSCXOSGFYSSQ-OAHLLOKOSA-N 441.502 1.725 0 40 IDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@@H](C)N3C(=O)NC(C)(C)C3=O)C2)C1 12087181 UABSSMCARBRBAX-CMJOXMDJSA-N 442.516 1.508 0 40 IDAB CCOC(=O)c1cc(CNS(=O)(=O)c2ccc(OC)c(-n3cnnn3)c2)c(CC)o1 12413134 NDCFZGBYEAPAGM-UHFFFAOYSA-N 435.462 1.482 0 40 IDAB CN1N=C(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CCC1=O 12765367 MZYMAYBZOAGVOT-UHFFFAOYSA-N 433.317 1.435 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 14239231 FAERPQIMQZYLND-HLLBOEOZSA-N 438.546 1.994 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16022189 GCIOUAJSSPCYOF-ZDQHKECQSA-N 449.507 1.619 0 40 IDAB COc1ccccc1CN1CCc2c(O)nc([C@H]3CCN(S(=O)(=O)N(C)C)C3)nc2C1 19583655 IYAHFVKTODGWQP-INIZCTEOSA-N 447.561 1.345 0 40 IDAB CCCNC(=O)CSc1nnc2n(CCC(=O)N[C@@H](C)CC)c(=O)c3ccccc3n12 33292169 CFCQTXNPMTVBBO-AWEZNQCLSA-N 444.561 1.967 0 40 IDAB CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cnn(-c4ccccc4)n3)c2)CC1 39976081 LSEVLDSKEUHDKZ-UHFFFAOYSA-N 440.529 1.846 0 40 IDAB Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2)N1CCCC1 49512836 ABCQOHQIIYGNCJ-HXUWFJFHSA-N 435.528 1.752 0 40 IDAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCCS(=O)(=O)N1CCc2ccccc21 58201508 WUEAUDNIFINKKM-UHFFFAOYSA-N 427.526 1.865 0 40 IDAB O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CC[C@@H](CN2CCOCC2)C1 78878537 NYZHANYQZSFEDM-AWEZNQCLSA-N 448.614 1.887 0 40 IDAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 79021580 UFLBCWIOBBUGGT-ZDUSSCGKSA-N 436.299 1.329 0 40 IDAB COC(=O)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1cccnc1 95465350 MUVXZKLWJNOJTN-RDJZCZTQSA-N 437.543 1.883 0 40 IDAB C[C@H](O)[C@H](O)/C=C/C=C/C(=O)O[C@@H]1C=C(C(=O)O)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 96111367 CDLCYGMBGYOXDH-HUMLSRHUSA-N 438.517 1.333 0 40 IDAB biogenic,in-vitro CNC(=O)CN1CC2(CCN(C(=O)C(C)(C)C)CC2)COc2ccccc2S1(=O)=O 96145241 GCLBMEJDXCHLLM-UHFFFAOYSA-N 437.562 1.471 0 40 IDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102858473 HJZJGNUXRCXQFE-FHWLQOOXSA-N 426.469 1.187 0 40 IDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 223671888 KKXYQCXKDUFTLD-AWEZNQCLSA-N 438.527 1.800 0 40 IDAB Cn1ccc2cc([C@@H](O)CNC(=O)C(=O)Nc3cc4c5c(c3)CCN5C(=O)CC4)ccc21 252498702 RIWSMLOPQATZAR-FQEVSTJZSA-N 432.480 1.802 0 40 IDAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCN4CCCC4=O)[C@H](O)[C@@]3(O)[C@@H]1C2 257227107 FNRJKSGDQXZGPC-GJZQCHBXSA-N 430.501 1.336 0 40 IDAB Cn1c(=O)c2c([C@H]3CCCN(C(=O)[C@H](N)Cc4ccc(F)cc4)C3)ccnc2n(C)c1=O 257236703 HDIAKTKWCDBWMW-MAUKXSAKSA-N 439.491 1.047 0 40 IDAB CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)nc21 390828210 PLVQJNIUFBUTLO-ZDUSSCGKSA-N 439.501 1.787 0 40 IDAB Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1NS(C)(=O)=O 641914893 IEEHJLUGLLABTH-UHFFFAOYSA-N 436.578 1.527 0 40 IDAB CCCn1cc(C(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)cn1 643564179 SKXQPESVMSRYTO-SFHVURJKSA-N 447.580 1.727 0 40 IDAB COc1cc(=O)n(C)cc1C(=O)N1CCN(c2nc(O)c(F)c(-c3ccccc3)n2)CC1 1888920897 PERROKCOVMIUGI-UHFFFAOYSA-N 439.447 1.658 0 40 IDAB COc1cnc(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NC5CCCC5)n4CC3)C2)nc1 2055785303 RJTSMFQPRVMLKB-QFIPXVFZSA-N 439.520 1.618 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)cn23)n(C)c1=O 10271862 XLXYMYNXVHVRPR-UHFFFAOYSA-N 435.362 1.639 0 40 IDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@@H](C)N3C(=O)NC(C)(C)C3=O)C2)C1 12087179 UABSSMCARBRBAX-IQMFZBJNSA-N 442.516 1.508 0 40 IDAB COC(=O)Cc1ccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 12793113 ZBGNOSGPSGBBTA-UHFFFAOYSA-N 435.498 1.881 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cnn(-c2ccccc2)n1 12849615 MADYIKSTMIJQCM-UHFFFAOYSA-N 433.515 1.280 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)[C@H]3COc4ccccc4O3)CC1)C2=O 13059127 ZFSAVJLWRDLRAX-VCDSYBKSSA-N 442.516 1.429 0 40 IDAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 13163795 IIKCPPYDMRWLCS-NRFANRHFSA-N 435.444 1.385 0 40 IDAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 15090277 FTSHRNWZTJLOIK-UHFFFAOYSA-N 434.905 1.832 0 40 IDAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1F)C(=O)OC 20725478 FTOXAXKTNVVVJE-LPHOPBHVSA-N 448.451 1.709 0 40 IDAB O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 21149601 OCRZEDSLNYVNST-UHFFFAOYSA-N 438.435 1.586 0 40 IDAB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 22795803 KCGFFGJSYLQLBB-LJQANCHMSA-N 442.491 1.276 0 40 IDAB CN(C)CCN[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 22809172 TUGSYRFFXODNRR-NRFANRHFSA-N 446.573 1.539 0 40 IDAB COc1cc(=O)n2c(c1C(=O)N1CCC[C@@H](O)C1)CCN(Cc1sccc1C)CC2 23129420 VZPZZBJFPRNKCP-MRXNPFEDSA-N 431.558 1.882 0 40 IDAB CC1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O 25765647 MJRLHPPWEBKEET-UHFFFAOYSA-N 434.440 1.300 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1ccncc1 32916142 GQXUVJCGAFEAOT-UHFFFAOYSA-N 436.921 1.388 0 40 IDAB C[C@H](C(=O)NCc1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 35380495 HNFRQRMUKQWAFW-MRXNPFEDSA-N 449.529 1.452 0 40 IDAB Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 36359903 XVFQISHNRMOEFY-MRXNPFEDSA-N 444.513 1.403 0 40 IDAB COC(=O)C[C@@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccc(Br)cc1 58490095 AONVSJHZJGKGEO-CQSZACIVSA-N 438.278 1.487 0 40 IDAB Cc1ccc(-n2c(O)nc3nc(N4CCN(c5ncccn5)CC4)ncc3c2=O)c(C)c1 67283393 RQQBEJPCQAUZOC-UHFFFAOYSA-N 430.472 1.615 0 40 IDAB CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 67286930 ZDSZQHCJBIEEMZ-SFHVURJKSA-N 432.546 1.777 0 40 IDAB COc1ccc(C(=O)N2CCC(NC(N)=O)CC2)cc1S(=O)(=O)N1CCCCCC1 72306316 OUGTYAXNJGZOAX-UHFFFAOYSA-N 438.550 1.533 0 40 IDAB CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3)CC2)O1 96144760 IOBRUDOSIOMERO-GOSISDBHSA-N 432.546 1.734 0 40 IDAB COCCN1Cc2c(C(=O)Nc3ccc(C)nc3)ncn2-c2ccccc2S1(=O)=O 96266194 LZBWFUQUEHTWBJ-UHFFFAOYSA-N 427.486 1.979 0 40 IDAB COc1ccccc1NC(=O)Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O 98213062 WSLPMYGMDLLRDU-UHFFFAOYSA-N 425.420 1.487 0 40 IDAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2OC)C1 138681802 VHKQTVXEMUSUCG-AWEZNQCLSA-N 441.440 1.379 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCCSc1ncn[nH]1 222772726 SFRRMEKMKVQEAO-UHFFFAOYSA-N 425.536 1.185 0 40 IDAB COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(N)(=O)=O 223038843 OLVBHIWQJOYVGU-UHFFFAOYSA-N 433.486 1.029 0 40 IDAB O=C(c1cc2n(n1)CCCC2)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 225604555 MIDQKCRCJDVZMJ-UHFFFAOYSA-N 432.531 1.371 0 40 IDAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N1CCN(C(C)=O)CC1)NC2=O 247954331 RXERCYCOZWSBFI-YJUYQMCSSA-N 427.501 1.641 0 40 IDAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)CC1 257261092 LFRGFEDMDKRHDF-WCCBULMPSA-N 436.574 1.257 0 40 IDAB COc1ncccc1CN1CC[C@@]2(C1)Cn1c(nn(CC3CCCCC3)c(=O)c1=O)CO2 306136443 PTSHAHYBUSOBDP-HSZRJFAPSA-N 441.532 1.564 0 40 IDAB C[C@H]1CCC[C@]1(O)CNC(=O)CN(CC(=O)NC[C@@]1(O)CCC[C@H]1C)c1ccccc1 568128122 HQNXKJBRAIQZLP-PLWWPAAYSA-N 431.577 1.828 0 40 IDAB CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCCN(c2ncccn2)C1 585271473 FTTYSIUJALGIKF-XMMPIXPASA-N 441.576 1.651 0 40 IDAB CNC(=O)[C@H](Cc1ccccc1)NC(=O)CC1(c2oc(C)cc(=O)c2O)CCOCC1 1547138464 MCBYOIJIIOKICY-KRWDZBQOSA-N 428.485 1.566 0 40 IDAB biogenic COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 815546 AWRANEIZIBPLPR-INIZCTEOSA-N 426.516 1.953 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(NCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 2224170 AKVXVIMLPXYVEW-QGZVFWFLSA-N 435.484 1.784 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CO)c3ccccc3)CC2=O)cc1 8791272 XCIGKBBPJQAESH-RIFZZMRRSA-N 425.485 1.403 0 40 IDAB biogenic COC(=O)[C@H](C)O[C@@H]1[C@H](NC(C)=O)[C@H](OCc2ccccc2)O[C@H]2COC(C)(C)O[C@@H]21 8834586 OEKDBUGAXUPTRV-KERZQCGTSA-N 437.489 1.531 0 40 IDAB CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2)CC1)C(=O)O 8969569 YESQIOQAJLUQOZ-QZTJIDSGSA-N 433.574 1.825 0 40 IDAB biogenic C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12 9059639 PMKOPJSDETUHJS-ZDUSSCGKSA-N 446.349 1.954 0 40 IDAB Cc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)s1 9508223 GYVUKNWZPVKFLA-UHFFFAOYSA-N 428.561 1.907 0 40 IDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 10382254 WWDUFLGELUPDEQ-AWEZNQCLSA-N 434.967 1.822 0 40 IDAB CCCn1c(C(=O)N(CC(=O)OCC)Cc2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21 11845332 SPGJNOZQAPLTKN-UHFFFAOYSA-N 440.500 1.654 0 40 IDAB CCN(CCc1ccncc1)C(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029496 LYXYKADUOAPWGY-LJQANCHMSA-N 436.555 1.747 0 40 IDAB CCS(=O)(=O)N1CCN(c2c3c(nc4cc(C5CCOCC5)nn24)CCCC3)CC1 12154616 OSPKGSRVSAXOHX-UHFFFAOYSA-N 433.578 1.974 0 40 IDAB COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CCc3ccccn3)[C@H]2O)cc1 12489958 FKCODJFTLYYIMU-SSSFQFABSA-N 428.489 1.239 0 40 IDAB biogenic,in-vitro O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 12676609 DSLRDMFOEIHESG-UHFFFAOYSA-N 430.530 1.440 0 40 IDAB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16024986 NKZXHBWKHXAHSY-VKDGWMQASA-N 435.480 1.392 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccncc3)CC1)O2 19219066 OHNUDWQOLAXBIB-XDHUDOTRSA-N 436.512 1.968 0 40 IDAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)COCCN2CCCC2=O)CCO1 19703018 ZICHHYQFUUDDKH-OAHLLOKOSA-N 446.529 1.195 0 40 IDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)C1=O 19797397 JHEOFXARBMUMNS-QGZVFWFLSA-N 427.526 1.957 0 40 IDAB COc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1S(=O)(=O)NC(C)C 21590020 FXUSJWFRHDDETB-UHFFFAOYSA-N 434.518 1.866 0 40 IDAB CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 22048441 GSNVZVQZHGDMFF-CMOCDZPBSA-N 426.561 1.728 0 40 IDAB in-vitro CCN(C(=O)COC(=O)C[C@H](NC(N)=O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 22303311 NSADDBCQOHVURP-DOMZBBRYSA-N 445.925 1.018 0 40 IDAB COC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1nc(SC)ncc1Cl 41156303 XEBZQHJVQMTHKG-CQSZACIVSA-N 436.921 1.872 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)CN2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O 57752771 TXZLIFWICQUVQR-UHFFFAOYSA-N 428.537 1.094 0 40 IDAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 58244705 MLCURVHKOHTORH-FQEVSTJZSA-N 438.463 1.916 0 40 IDAB Cc1nn(CCO)c2ncc(C(=O)OCCOc3ccc(S(=O)(=O)N(C)C)cc3)cc12 65614685 SJPPRCSEGRUBOD-UHFFFAOYSA-N 448.501 1.218 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)Cn1nc(N3CCSCC3)ccc1=O)CC2 71288712 YSAXGFCAAVBSNL-UHFFFAOYSA-N 430.530 1.399 0 40 IDAB CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 71850255 JZTKNDGOCLNBRB-HNNXBMFYSA-N 428.557 1.621 0 40 IDAB C[C@@H]1C[S@](=O)CCN1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 72308401 FGTZRRPWEONOOD-ASHKIFAZSA-N 448.010 1.906 0 40 IDAB O=S(=O)(NC[C@@H]1COC2(CCCCC2)O1)c1ccc(N2CCCCS2(=O)=O)cc1 77200694 GPUUDKUPIDCZCK-QGZVFWFLSA-N 444.575 1.971 0 40 IDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C2)n[nH]1 95402714 AHIWULGBOYKTSL-GFCCVEGCSA-N 439.925 1.237 0 40 IDAB Cc1ccc(O)c(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)c1 95459536 OVKOAWUZWPWBOG-UHFFFAOYSA-N 442.515 1.235 0 40 IDAB Cc1nc(C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)nn1-c1nnc(C(F)(F)F)[nH]1 95992256 UKBOPSXCDLFAQF-UTJYPRCQSA-N 429.403 1.764 0 40 IDAB CCOC(=O)c1sc(NC(=O)N2CCO[C@H](C(=O)NC)C2)c(C(=O)OCC)c1C 96005563 DUSPJHSQFINHTJ-NSHDSACASA-N 427.479 1.389 0 40 IDAB O=C(CN1C(=O)S[C@H]([C@@H]2SC(=O)NC2=O)C1=O)Nc1ccc(Br)cc1 101375848 VAWQRNIHYBHHGU-VHSXEESVSA-N 444.288 1.803 0 40 IDAB CCC[C@H](C(=O)NC1CCCC1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2cc(C)on2)[C@H]3C1=O 245227486 OTJCTTXTJXFQQX-DRHKNYLASA-N 442.516 1.931 0 40 IDAB Cc1ccc(CN2C(=O)[C@@H]3[C@H](C(=O)NC4CC4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 245230333 PMOHSBMXAZPEMG-VVDZRIMGSA-N 449.551 1.983 0 40 IDAB Cc1c(S(=O)(=O)N2CC[C@](Cc3cc(-c4ccc(F)cc4)no3)(C(N)=O)C2)cnn1C 257260210 LBUGKCRPPVNKLD-HXUWFJFHSA-N 447.492 1.631 0 40 IDAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408666062 SBVWIGYYARFSAP-IQGAEYHTSA-N 440.452 1.542 0 40 IDAB O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)C(=O)N[C@H]1CCN(C2CCCC2)C1 552438269 QHECXPJQKWESRK-AZUAARDMSA-N 428.533 1.553 0 40 IDAB Cc1cc(C(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)nc2nc(O)nc(O)c12 557566756 RWLXMFHNOQFVEF-SFHVURJKSA-N 448.527 1.777 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(-c4ccccc4F)[nH]n3)CC[C@@H]2O)CC1 585267178 FJQTTWHKRBXCOV-SFTDATJTSA-N 429.496 1.345 0 40 IDAB COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)cc1 585269982 SHCPLMIBXINTHT-FQEVSTJZSA-N 444.528 1.805 0 40 IDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 3459131 DEXIJVDLUBYVQJ-UHFFFAOYSA-N 444.473 1.081 0 40 IDAB CC(C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(N)=O 6190728 MMYOLAYKEMCIIR-DJIMGWMZSA-N 434.537 1.253 0 40 IDAB COc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)NC1CCCCC1 8475828 NAKTXTFAEKLLLL-UHFFFAOYSA-N 425.551 1.368 0 40 IDAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 8622870 NQACYLLKIJHNSZ-LJQANCHMSA-N 433.873 1.952 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)n(C)c1=O 9058202 MDBRLNYAGQVOQF-ZDUSSCGKSA-N 438.513 1.450 0 40 IDAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)C1=NNC(=O)CC1 9334694 KRARKJZHLGTELF-UHFFFAOYSA-N 448.476 1.068 0 40 IDAB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CS2 9465595 FXYRPRXRAGJMJF-QAPCUYQASA-N 427.523 1.113 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)CC1 9599814 XVJGIJUADLCJMT-UHFFFAOYSA-N 427.490 1.579 0 40 IDAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cnn(-c3ccccc3)n2)c(=O)[nH]c1=O 9730445 GLEHDWPFEMGGEQ-UHFFFAOYSA-N 449.471 1.940 0 40 IDAB C[C@@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 9839891 DOZZOABYIGICAS-CYBMUJFWSA-N 444.473 1.097 0 40 IDAB CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nn1 10221051 BUWZFBLQATULRM-UHFFFAOYSA-N 435.550 1.851 0 40 IDAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(=O)NC(N)=O 10401745 BHVFCYHWDHXDMK-ZDUSSCGKSA-N 431.470 1.568 0 40 IDAB C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC(F)(F)F 10930725 IZNWXACPWBDSTR-SNVBAGLBSA-N 442.387 1.070 0 40 IDAB O=C1NC(=O)[C@H](CCC(=O)N2CCC(c3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)N1 12157792 NKNMWUQVSVCPMG-ZDUSSCGKSA-N 443.529 1.558 0 40 IDAB CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2CCCO)NC(=O)N[C@@H]1C 12698743 DWDMETTVXXGOCL-GFCCVEGCSA-N 432.502 1.390 0 40 IDAB O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(F)cc2N1 12977490 FOYLJVDNGAXTPQ-KRWDZBQOSA-N 435.452 1.924 0 40 IDAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCC(C(N)=O)CC1 13004690 APELCGJKDCMUOI-UHFFFAOYSA-N 443.525 1.784 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 13030248 XZIDECJUCJHKKJ-INIZCTEOSA-N 430.530 1.427 0 40 IDAB CCOC(=O)C1=NO[C@@H]2[C@H]3C[C@@H]([C@H]12)[C@H]1C(=O)N(CCc2ccc(OC)c(OC)c2)C(=O)[C@H]31 13395198 DWNHDAZTKYKHER-WVVAYEFHSA-N 442.468 1.431 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1cccc(Cl)c1 13640111 TWBGQHGVDRMKGX-HZPDHXFCSA-N 436.896 1.820 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(N3C(=O)[C@@H](C)CS3(=O)=O)ccc2OC)cc1 13734558 ZHBHFVQXWSKKAT-LBPRGKRZSA-N 440.499 1.817 0 40 IDAB Cn1c(N)c(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(=O)[nH]c1=O 14232331 CAFCPTZYUFRUPP-UHFFFAOYSA-N 437.485 1.706 0 40 IDAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14750308 ZNYMEIPISPPPKO-CVEARBPZSA-N 441.509 1.804 0 40 IDAB COc1ccc(-c2noc(C(=O)NCCNC(=O)c3ccc(OC)c(OC)c3)n2)cc1 15082637 KRUVINJOLBSWRB-UHFFFAOYSA-N 426.429 1.922 0 40 IDAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCN(c2ncccn2)CC1 15700851 LAQIEGNEEPTDDG-QGZVFWFLSA-N 429.546 1.686 0 40 IDAB Cc1sc2ncn(CC3(O)CCN(CC(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)c(=O)c2c1C 19561434 CMGRSHKVYDTXCL-GJZGRUSLSA-N 448.589 1.538 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3ccccc3)c2N)CC1 19572281 MSZNZFGBMKPHCA-GOSISDBHSA-N 445.545 1.300 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2cn(C)nc2C)C[C@H]1C(=O)N(C)C 19583429 YCOPOLPWBBCIET-CVDCTZTESA-N 439.516 1.012 0 40 IDAB CS(=O)(=O)N1CCc2cc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)ccc21 19819385 DHDACPZBVOPVEE-UHFFFAOYSA-N 449.510 1.047 0 40 IDAB C[C@H](Oc1ccccc1)C(=O)N1CCN(CCNC(=O)c2ccc3c(c2)OCO3)CC1 20891151 GWXDZAYHXLBWDF-KRWDZBQOSA-N 425.485 1.757 0 40 IDAB Cn1c(=O)c2c(ncn2CCSc2n[nH]c(/C=C/c3ccc(F)cc3)n2)n(C)c1=O 21956009 UPDBNRSXDLNCLB-VMPITWQZSA-N 427.465 1.654 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 22246882 SJPPZCYETXOGDH-IBGZPJMESA-N 431.558 1.667 0 40 IDAB CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 26753611 LRYJBEBKYXHCFD-CQSZACIVSA-N 436.456 1.231 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 30940100 BWHRGDJBUNONHP-LJQANCHMSA-N 447.513 1.619 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](O)CN3CCCC3=O)c2)c1 72311670 YLNAQNWESZMWMT-IBGZPJMESA-N 445.541 1.817 0 40 IDAB CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cccs4)CC3)n2)CC1 72335878 JYBLCJQVJGNBNP-UHFFFAOYSA-N 449.602 1.713 0 40 IDAB Cc1nccn1CCC(=O)N1CCC(c2nc(N3CCCC3)ncc2S(C)(=O)=O)CC1 72335907 XQBPHYAGPZJINH-UHFFFAOYSA-N 446.577 1.782 0 40 IDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3nc(-c4ccc(F)cc4)n[nH]3)cc(C3CC3)nc21 78758306 ZOUAOECPLLMZMT-UHFFFAOYSA-N 449.446 1.836 0 40 IDAB Cc1ccoc1C(=O)NCCN(CCNC(=O)c1occc1C)CCN1CCOCC1 79016060 IBHJIGQDYNHRQO-UHFFFAOYSA-N 432.521 1.283 0 40 IDAB CN1CCN(C[C@H](O)CN(C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 95406735 TWYISXCDROWVAC-UYAOXDASSA-N 436.984 1.259 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(F)c4)[C@H]3C2=O)cc1OC 101169840 OSIBDANQJVOQNR-ZWKOTPCHSA-N 427.392 1.775 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 105346774 OJBPQRSSQGMMPR-XYQTXAPISA-N 437.471 1.744 0 40 IDAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206904225 ZABUPSRYAWPIMA-UHFFFAOYSA-N 433.394 1.804 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)C3[C@@H]4CCCC[C@@H]34)nc2C1 247521483 LSJXOPXAXGBVDD-CPUCHLNUSA-N 434.562 1.990 0 40 IDAB Cc1ccc2oc(C(=O)N3CCC4(CC3)C[C@H](NS(C)(=O)=O)[C@@](C)(O)CO4)cc2c1 257255158 KGIZRIWYKCRRSZ-ICSRJNTNSA-N 436.530 1.805 0 40 IDAB NC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2OCCN2CCOCC2)C1 257300316 RTUVZRJTBOIHED-XMMPIXPASA-N 438.528 1.452 0 40 IDAB COc1cc([C@@H](CC(=O)NCC(=O)N2CCCC2)c2oc(C)cc(=O)c2O)ccc1O 524730817 YKCVLZVXRNJEFI-OAHLLOKOSA-N 430.457 1.629 0 40 IDAB biogenic Cc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1S(=O)(=O)N1CCOCC1 3313199 ZZMSHKXQJIDDCZ-UHFFFAOYSA-N 429.454 1.152 0 40 IDAB CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 3336378 CHLSRWIQLNPFAM-UHFFFAOYSA-N 425.532 1.878 0 40 IDAB CCN(C(=O)CN(C)Cc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3542050 QJVIRWOAYLWOQA-UHFFFAOYSA-N 439.491 1.791 0 40 IDAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc(S(C)(=O)=O)cc2)C1=O 9245486 WPHIOCGJAGBPLC-OAQYLSRUSA-N 444.465 1.511 0 40 IDAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccco1 9302724 GOOSFDHUCMQACI-OAHLLOKOSA-N 437.493 1.642 0 40 IDAB Cc1cc(C)n(CCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 9812596 INURLZXJLAFYIB-UHFFFAOYSA-N 426.564 1.653 0 40 IDAB Cc1c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)c(=O)n(-c2ccccc2)n1C 9859930 CDAHOHLPFZRTIJ-UHFFFAOYSA-N 441.469 1.566 0 40 IDAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 11558853 UMOJWAXDZRUZLY-INIZCTEOSA-N 428.470 1.548 0 40 IDAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)cc2n1 12134562 VZUPJPDWKDQYHL-OAHLLOKOSA-N 435.550 1.375 0 40 IDAB COc1ccc(Cn2c(O)c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c(=O)[nH]c2=O)cc1 12658083 WOHKVQKOIYVPDL-KRWDZBQOSA-N 440.408 1.576 0 40 IDAB biogenic NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1 18093430 PUXVRBIUEHTUJP-INIZCTEOSA-N 441.431 1.817 0 40 IDAB CN(C)C(=O)c1cnc(N(C)C)nc1-c1ccc(CNC(=O)c2ccn(C)c(=O)c2)cc1 19290844 BDXFKHLEXCXXBM-UHFFFAOYSA-N 434.500 1.540 0 40 IDAB Cn1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)c2cccs2)C3)n1 19290939 UZSUVTRQEJODST-MRXNPFEDSA-N 438.513 1.741 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c(=O)c2C1 19572611 MCZNFIDXNGBPKB-KRWDZBQOSA-N 434.493 1.594 0 40 IDAB COC(=O)c1cc(COC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)oc1C 21240865 NIWCTTHZLJUDFJ-UHFFFAOYSA-N 438.458 1.745 0 40 IDAB CC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 21790377 IRWKGJXBSKZILV-SFHVURJKSA-N 430.482 1.960 0 40 IDAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCN(c2cnccn2)CC1 24618114 LQNMZAPAWKGDOL-UHFFFAOYSA-N 425.518 1.581 0 40 IDAB O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)Nc1ccnn1C1CCCC1 35393008 SZFMEAFHUQIVIS-FQEVSTJZSA-N 439.516 1.921 0 40 IDAB COC(=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccs1 36754656 AWDFNLMEHHICQI-MRXNPFEDSA-N 437.543 1.964 0 40 IDAB COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)N3CCOCC3)c2cc1OC 71281565 HLWMIZRYVQTTGM-UHFFFAOYSA-N 439.468 1.088 0 40 IDAB CCCNC(=O)CN(C)C(=O)CN(CCN1CCN(c2cccc(C)c2)CC1)CC1CC1 95456043 UTFQHULJJZIBME-UHFFFAOYSA-N 443.636 1.814 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@H]2[C@@H](C(=O)NCc3cccs3)[C@H]3C=C[C@@]21O3 100431869 FVPQTNDTWVLOFT-HBLJDGLJSA-N 429.542 1.592 0 40 IDAB O=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CC[C@H](N2C(=O)COC2=O)C1 225700848 VAYJNARYCCTPSA-INIZCTEOSA-N 447.444 1.820 0 40 IDAB CC(C)N1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3 253406392 UKSGWNAIRPHURT-MCNSAMFCSA-N 431.533 1.029 0 40 IDAB CN(C)[C@@H]1CC[C@@]2([C@H](O)CNS(C)(=O)=O)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257213298 CGYLJHFOWMPERP-SQDPYLFBSA-N 426.579 1.073 0 40 IDAB C[C@]1(c2ccccc2)CN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCO1 531589790 IYNNZAIWHISWAT-XMMPIXPASA-N 436.512 1.716 0 40 IDAB CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)s1 573995186 DEDNYGVLTICZHC-UHFFFAOYSA-N 430.533 1.751 0 40 IDAB CCn1nc(C)c(CCC(=O)N2CCC[C@]2(COC(C)=O)CC(=O)N2CCOCC2)c1C 643587127 WOSPKERUSCAGMY-HSZRJFAPSA-N 448.564 1.626 0 40 IDAB Cc1ncn(CC(=O)N2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)c(=O)c1C 1888901307 IQJUQQVCPHZAJK-UHFFFAOYSA-N 439.491 1.956 0 40 IDAB Cc1ccc(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)cc1 3273632 YHFYXIRUWAXQFG-UGSOOPFHSA-N 440.905 1.858 0 40 IDAB COc1cc(/C=C/C(=O)O)ccc1OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 8823945 UAXJXAMDWNPGBP-SOFGYWHQSA-N 433.505 1.231 0 40 IDAB COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)c1 8927529 KPVRFNQLGFQXQD-KRWDZBQOSA-N 440.452 1.932 0 40 IDAB O=C1CSc2ccc(C(=O)N3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)cc2N1 9217583 LNNBYPPLHGDKFR-GOSISDBHSA-N 439.493 1.997 0 40 IDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 9350336 QEBNTCRCPAUUMT-LBPRGKRZSA-N 446.451 1.207 0 40 IDAB COc1cccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)c1 10105013 CFJGKYNHUNSZCQ-UHFFFAOYSA-N 438.532 1.933 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 10232288 OERJNHZLWNJRRC-KRWDZBQOSA-N 436.384 1.915 0 40 IDAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2)C1=O 11904906 XRCNUUHFXJUPOF-LBPRGKRZSA-N 438.483 1.206 0 40 IDAB O=C(NCCc1ccc(F)cc1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031143 YYJXFKFGHBFOOE-MRXNPFEDSA-N 443.493 1.898 0 40 IDAB COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)c1 12671297 BQMIZQIAAPHEBG-UHFFFAOYSA-N 441.513 1.637 0 40 IDAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 12925631 SLSCTMFWZQDNJE-CYBMUJFWSA-N 427.544 1.854 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ccccn3)CC2)c1 13038869 HQJFNMOUZWDVMU-UHFFFAOYSA-N 431.562 1.873 0 40 IDAB COc1ccc(-c2noc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)n2)cc1OC 13128149 XARIQPRDOGZDQB-UHFFFAOYSA-N 446.485 1.748 0 40 IDAB COc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1C(=O)N1CCOCC1 13632878 VMDZFBPNEARAAO-UHFFFAOYSA-N 433.530 1.582 0 40 IDAB COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1OC 13856693 BLUZUBMJOJDWIB-OAHLLOKOSA-N 444.415 1.762 0 40 IDAB CSCC[C@H](NC(=O)c1ccc(C(=O)N[C@H](CCSC)C(=O)O)cc1)C(=O)O 16248636 UEZCYMFZOMGGJO-OKILXGFUSA-N 428.532 1.559 0 40 IDAB CO[C@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3nn(C)cc3-c3cccnc3)CC2)C1 19290259 WODFPIDSSSRFTD-WMZOPIPTSA-N 447.561 1.520 0 40 IDAB O=C1c2ccccc2C(=O)N1CCCNCCNCCCN1C(=O)c2ccccc2C1=O 19369024 XLHXDJJWXSDWMT-UHFFFAOYSA-N 434.496 1.538 0 40 IDAB Cc1ncsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 19746379 DKNLEUQLULYOEW-QGZVFWFLSA-N 433.578 1.117 0 40 IDAB CCOc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1 21150177 ZLHGECHVIAJMLG-UHFFFAOYSA-N 434.547 1.629 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1OC 22246650 FEIAVZIHSUMZQG-IBGZPJMESA-N 447.557 1.367 0 40 IDAB CC(C)[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 26753615 LRYJBEBKYXHCFD-AWEZNQCLSA-N 436.456 1.231 0 40 IDAB C[C@H](Sc1nc(NC2CC2)c2ccccc2n1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 31784665 OQJSAYDMCVQNOV-JTQLQIEISA-N 426.502 1.547 0 40 IDAB CN(C(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)[C@@H]1CCS(=O)(=O)C1 33325379 LGVFNYAPAORADA-OLZOCXBDSA-N 443.572 1.230 0 40 IDAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCC(C(N)=O)CC1 34895682 TWQJNKQDWYCRET-UHFFFAOYSA-N 437.562 1.709 0 40 IDAB Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCC(O)CC2)N3C)cc1 35442579 GZHLXWRYNGXWNI-WPYKKVEZSA-N 428.577 1.132 0 40 IDAB biogenic,in-vitro C[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc(-n2cc(C(N)=O)nn2)cc1 40154600 LXKVCKUDMCLXIV-GFCCVEGCSA-N 440.895 1.901 0 40 IDAB O=C(NCCN1CCN(C(=O)c2ccc3nsnc3c2)CC1)c1ccc2c(c1)OCO2 44227099 OQVGXLCTJZZZQA-UHFFFAOYSA-N 439.497 1.608 0 40 IDAB O=C(Cc1ccc2c(c1)OCO2)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338783 ODBOVNJXGDJASH-OAQYLSRUSA-N 429.498 1.927 0 40 IDAB CCNC(=O)C(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 89977378 IPEMYGSSZQNARS-UHFFFAOYSA-N 439.578 1.765 0 40 IDAB CC(=O)Nc1ccc(N(C[C@H](O)CN[C@@H](C)C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 95117134 WMBHULQCLKDUQW-HNAYVOBHSA-N 449.529 1.572 0 40 IDAB COc1ccc(C(=O)N(CCO)Cc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 96009090 GKXIGSUOSVRSSR-UHFFFAOYSA-N 448.541 1.659 0 40 IDAB CC(=O)N1C[C@H]2C3(CCN(S(=O)(=O)c4ccccc4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96143798 VCDKCIJNTYZCMP-SIKLNZKXSA-N 433.574 1.804 0 40 IDAB CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 223672624 MDODLEJRVJEYIG-UHFFFAOYSA-N 437.543 1.279 0 40 IDAB O=C(CN1CCOCC1)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257204653 AVTCDMBIUYBOLN-HXUWFJFHSA-N 434.924 1.917 0 40 IDAB CN1CCN([C@H]2CC[C@](CNC(=O)[C@@H]3CCCN(C)C3)(c3ccccc3)CC[C@@H]2O)CC1 257277215 NWXNCKHJLZEZIC-DJOPODEESA-N 442.648 1.933 0 40 IDAB O=C(CSc1nnc2n(CC(=O)N3CCCC3)c3ccccc3n12)N1CCOCC1 1325687 RSGAJJBOVXRWFJ-UHFFFAOYSA-N 428.518 1.257 0 40 IDAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCN(c2ncccn2)CC1 3229572 NMYKCGPFCQSVND-UHFFFAOYSA-N 435.937 1.877 0 40 IDAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 3451341 DMANTVHHICZKIV-JTQLQIEISA-N 436.442 1.588 0 40 IDAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 9429114 JDBKDWQSEAARNV-JOCHJYFZSA-N 434.456 1.339 0 40 IDAB O=C(CSc1nnc(SCC(=O)NC[C@H]2CCCO2)s1)NC[C@H]1CCCO1 9443694 VUOQVGLESHKTSD-VXGBXAGGSA-N 432.593 1.313 0 40 IDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9491995 IKSAABVYXAYUQN-INIZCTEOSA-N 448.522 1.047 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCCc2ccco2)c1 9807502 HMWBIDMDNFZERM-KRWDZBQOSA-N 433.530 1.525 0 40 IDAB CCNC(=O)[C@@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 11410621 VXWLCYFCCDCUNO-CYBMUJFWSA-N 425.532 1.593 0 40 IDAB Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2 11913920 GNUNUOGSAMEZCR-VIFPVBQESA-N 426.545 1.566 0 40 IDAB C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)cc21 12879864 WLDQEENCJRLNMB-VXGBXAGGSA-N 434.543 1.823 0 40 IDAB CCN(C(=O)[C@@H](C)OC(=O)c1c(NC(C)=O)sc(C)c1C)[C@H]1CCS(=O)(=O)C1 14249421 YWYKHVPDFJCYSA-RISCZKNCSA-N 430.548 1.904 0 40 IDAB CC[C@@H](COC(=O)Cn1c(=O)oc2ccccc21)NC(=O)C(=O)Nc1ccc(C)cc1 16611392 ASOXYHOHXTVASQ-HNNXBMFYSA-N 425.441 1.980 0 40 IDAB COc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(O)c1 20866993 PGVDAUQPUNGFMT-UHFFFAOYSA-N 434.470 1.091 0 40 IDAB CC(C)CN(C(=O)COC(=O)c1cc(Br)ccc1O)[C@@H]1CCS(=O)(=O)C1 21613162 LDPLZFGNEJUMLZ-CYBMUJFWSA-N 448.335 1.983 0 40 IDAB C[C@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 24756783 GYEFWVKFYANGKH-WFASDCNBSA-N 444.351 1.054 0 40 IDAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 27914690 FYFHXJWWLAOWAF-UHFFFAOYSA-N 432.502 1.535 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 31349288 WOOCSKQRQSENIU-UHFFFAOYSA-N 437.424 1.406 0 40 IDAB C[C@@H]1C[C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)O1 32736530 QPIPEMAFTKTRNB-SJKOYZFVSA-N 425.459 1.106 0 40 IDAB Cc1ccc(NC(=O)CCN2CCCS2(=O)=O)cc1S(=O)(=O)N1CCCCCC1 40146505 IXRRXHKMPHOAIO-UHFFFAOYSA-N 443.591 1.924 0 40 IDAB COc1cc(OC)c2[nH]c(C(=O)N3CCN(CC(=O)Nc4cc(C)on4)CC3)cc2c1 58438152 RBPLHNNWEBXIPA-UHFFFAOYSA-N 427.461 1.878 0 40 IDAB O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1C[C@H](O)CN1CCc2ccccc2C1 60330172 AMBXSCISMAPFQU-ZEQKJWHPSA-N 448.567 1.992 0 40 IDAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)CN2CCCC2)CC1 72335841 LTYLDKOAEZSDOT-UHFFFAOYSA-N 429.546 1.744 0 40 IDAB CN(C)c1ncc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cn1 72340589 LSZYHSZNDRQPBN-HXUWFJFHSA-N 425.512 1.819 0 40 IDAB CC(C)[C@H](C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)N1CCCS1(=O)=O 95430625 VIPOWBUGBKHXRN-BLLLJJGKSA-N 439.361 1.909 0 40 IDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)c1 101361127 UFHDQKZEMIEXQO-TXXWUTRGSA-N 443.408 1.129 0 40 IDAB CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)CN(C(=O)Cc3ccccc3)CC2)C1 306141428 VVTXVGNTFRKQQK-RUZDIDTESA-N 449.555 1.836 0 40 IDAB COC(=O)COc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 408583756 JSKGPDGAVCWCQB-UHFFFAOYSA-N 437.426 1.612 0 40 IDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 409308974 ZWVOTOWOHTYION-UMPJEAMMSA-N 439.205 1.667 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2cc3c(nn2)CCC3)CC1 575619975 NXCXRVFGOWNXMD-UHFFFAOYSA-N 441.557 1.712 0 40 IDAB CN1CCC(CNC(=O)CC(C)(C)NC(=O)OCc2ccccc2)(N2CCOCC2)CC1 1528957481 GZCLZMYHKVGECD-UHFFFAOYSA-N 446.592 1.994 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)c5sc(C)nc5C)C[C@H]4C3)ncnc21 1888916648 BIVHXKQVWNLLJS-GASCZTMLSA-N 427.534 1.754 0 40 IDAB COC1(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CCN(S(C)(=O)=O)CC1 1889219226 GZMDYZADNBRIAU-UHFFFAOYSA-N 430.470 1.424 0 40 IDAB CCOCCn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 2232523 YEYFKUPLTYNDEG-UHFFFAOYSA-N 439.560 1.925 0 40 IDAB Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2c1=O 3311152 KYFSPNXISNOYII-UHFFFAOYSA-N 428.470 1.207 0 40 IDAB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3313217 LLCPPRPTLOYUCO-UHFFFAOYSA-N 449.872 1.497 0 40 IDAB Cn1nc(C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c2ccccc2c1=O 3340845 KLRJIZSLRZUQFF-UHFFFAOYSA-N 431.351 1.648 0 40 IDAB CCCn1c(N)c(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)c(=O)[nH]c1=O 3443410 JJICALUSIHQHJF-UHFFFAOYSA-N 444.517 1.791 0 40 IDAB C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)C(=O)NC(N)=O 3481951 QNOMPZKWBDGUFX-NSHDSACASA-N 439.877 1.559 0 40 IDAB CCc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 8753641 NIPXTTDVIXSSFN-GFCCVEGCSA-N 432.531 1.991 0 40 IDAB CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)Cc1ccc2c(c1)OCO2 8936987 HDUVTZFXJOXAKZ-HSZRJFAPSA-N 438.484 1.822 0 40 IDAB COC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCCC2)c1=O)COC(C)(C)C3 9410520 BKJQNHKXCZUHLE-UHFFFAOYSA-N 435.546 1.735 0 40 IDAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)C[C@@H](C)O1 9443876 ZXQIEBHFFJMYIP-CHWSQXEVSA-N 443.481 1.620 0 40 IDAB O=C(COc1ncnc2sccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9662341 QPFDLXRJZHLCML-UHFFFAOYSA-N 434.499 1.730 0 40 IDAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCC2(CC1)OCCO2 12016138 HFXTUDPNLCUZCB-UHFFFAOYSA-N 446.547 1.153 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 12199694 PHEAFGBQLIJAID-UHFFFAOYSA-N 429.498 1.860 0 40 IDAB COc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(Cl)c3nonc23)cc1OC 12390257 CXHGAJOGJZIFFH-UHFFFAOYSA-N 440.865 1.602 0 40 IDAB CC(C)CN(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13011818 KXGQOXAOFRSRFC-RNODOKPDSA-N 437.566 1.218 0 40 IDAB O=C(Nc1cccc(-n2cnnn2)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 14138041 YHIGKUVSPJYFKB-UHFFFAOYSA-N 437.485 1.462 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16024515 OIKKBCRHDHEIBE-GBPOLFSSSA-N 439.899 1.950 0 40 IDAB Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)c1 17026625 HGWNUWVISYZKEL-UHFFFAOYSA-N 440.529 1.566 0 40 IDAB CCS(=O)(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699441 KCWLSDLEUWFUMO-UHFFFAOYSA-N 434.562 1.387 0 40 IDAB CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)CCO1 19702972 QKVJVVHPNFDJEO-AWEZNQCLSA-N 449.558 1.930 0 40 IDAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 19710490 ALWCPWANZIAZOL-UHFFFAOYSA-N 429.546 1.991 0 40 IDAB CCN(C(=O)COC(=O)c1cc(C)oc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 21980864 XGBDSQSILIPIGD-UHFFFAOYSA-N 440.456 1.587 0 40 IDAB CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc4c(c2)OCO4)CC(=O)N3)CC1 22610217 FJMLCEYXNVECFI-ZDUSSCGKSA-N 425.445 1.799 0 40 IDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(OC)cc1 24817034 XXNHGPDRXHOPCX-FQEVSTJZSA-N 445.541 1.869 0 40 IDAB COC(=O)c1nn(Cc2c(OC)c(OC)c(OC)c3c2C(=O)OC3)c(=O)c2ccccc12 30953007 YVOIUKCRVRJARN-UHFFFAOYSA-N 440.408 1.928 0 40 IDAB CNC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 36821939 QTKGIZWQBLAKJQ-LJQANCHMSA-N 444.557 1.357 0 40 IDAB CCN(CC)CCN(CC)C(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326463 NMHWSGVWDLBCDF-QHCPKHFHSA-N 429.565 1.741 0 40 IDAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccn(CC(=O)N3CCN(C)CC3)n2)C(C)C)cc1 95399037 WXTYTYYIBBOMRT-OAQYLSRUSA-N 440.548 1.359 0 40 IDAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@H]1CCN(C2CC2)C1=O 95441561 KPXJOFXNIFZUFB-FQEVSTJZSA-N 427.526 1.967 0 40 IDAB CC(C)(C)NC(=O)[C@H]1N(C2CC2)C(=O)[C@H]2[C@@H](C(=O)NCc3cccs3)[C@H]3C=C[C@@]21O3 100431865 FVPQTNDTWVLOFT-XRGQIBNMSA-N 429.542 1.592 0 40 IDAB CCC[C@]1(C(=O)OC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 245230758 YITHMDNOIAFBJL-FSTVOOFJSA-N 434.489 1.690 0 40 IDAB O=C(CN1CCOCC1)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257242156 IBIJFPWGNHPSBS-FQEVSTJZSA-N 434.924 1.917 0 40 IDAB CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257278647 ODBFOHOCFNUTCI-LJQANCHMSA-N 435.528 1.884 0 40 IDAB COc1ccc(Cl)cc1-c1nnc(S/C(=C/C2C(=O)NC(=O)NC2=O)C(=O)O)o1 408634279 TUNBQBYLQRYKCJ-BJMVGYQFSA-N 438.805 1.441 0 40 IDAB COc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(OC)c1 408661224 MFUFMXVNVNGAIM-ISZNXKAUSA-N 430.457 1.607 0 40 IDAB CCOc1ccccc1N1C[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O 3351334 SDKBIXDITYJSKV-MRXNPFEDSA-N 431.514 1.445 0 40 IDAB CC1=NC(=O)NC(=O)[C@@H]1S(=O)(=O)NCCn1c2ccccc2c2c(C)cc(C)nc21 8777814 CANPJIDYSUAHIH-QGZVFWFLSA-N 427.486 1.805 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)O)c3ccccc3)CC2=O)cc1 8790727 YOZMAMAVPGOUIC-DKICVRJWSA-N 439.468 1.495 0 40 IDAB biogenic Cc1cc(/C=C/C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1Cc1ccco1 8876541 QNSNWINVYVYWEF-IPLHWJFFSA-N 434.514 1.948 0 40 IDAB Cc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)C(C)C)cc1 9492517 BFLBRQCJDUYVHX-IBGZPJMESA-N 447.513 1.579 0 40 IDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12590030 BFHQUAUOLJJPNM-UHFFFAOYSA-N 438.918 1.785 0 40 IDAB CCC1(CC)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1=O 13062792 YPBXULRBLZRQGZ-UHFFFAOYSA-N 430.477 1.339 0 40 IDAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 14167705 OXMBXDAGAFAVEB-AWEZNQCLSA-N 440.518 1.507 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1=O 14170470 XEXQEPVZELRHRQ-OAQYLSRUSA-N 427.461 1.130 0 40 IDAB COc1ccc(NC(=O)CNCc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 14361384 GOTAXQNEDDURGA-UHFFFAOYSA-N 437.493 1.584 0 40 IDAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1cnn(C)c1C 17094813 SXJKHXXQZPRYFG-QJKHOBJASA-N 426.473 1.589 0 40 IDAB CCCN1CCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 19503382 DFJNEVQUULUCRG-UZUQRXQVSA-N 427.549 1.493 0 40 IDAB Cc1c(S(=O)(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)cnn1C 19553931 YMEJVIXHIDRRHW-KRWDZBQOSA-N 434.566 1.907 0 40 IDAB COCCn1nnnc1[C@@H](c1ccc(OC)c(OC)c1)N1CCN(C2CCCC2)CC1 19593924 MOTQATUMJDRVFQ-OAQYLSRUSA-N 430.553 1.986 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(CS(C)(=O)=O)cc2)C1=O 23945911 RYMNFIMOFALWKJ-OAQYLSRUSA-N 429.498 1.819 0 40 IDAB O=C(CNC(=O)c1cccc(F)c1)OCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 32876758 YCAFHDHCOMVTQN-SFHVURJKSA-N 448.472 1.319 0 40 IDAB COCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O 44841084 MICPFMFKDUPDKV-UHFFFAOYSA-N 425.441 1.245 0 40 IDAB COc1ccc(OC)c(/C=C2\SC(=O)N(CCC(=O)N[C@H]3CSC[C@H]3O)C2=O)c1 54361024 KIWVNOHTHHVOLH-JXDIOVCFSA-N 438.527 1.723 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 67287693 GSEINSCXFAINCR-HXUWFJFHSA-N 430.505 1.421 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1 96231308 DWAAYRLUYKUZGY-LBPRGKRZSA-N 431.449 1.019 0 40 IDAB CCCCn1c(=O)n(C)c(=O)c2c(=S)[nH]c(-c3cccc(S(=O)(=O)N(C)C)c3)nc21 102309761 HXDPNFCHCTTXKA-UHFFFAOYSA-N 449.558 1.870 0 40 IDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 107324521 GOVAGBXSGVKAJC-HOSQHVHZSA-N 443.500 1.347 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)s1 222876700 SSSHHLWTJMZCBI-UHFFFAOYSA-N 430.533 1.204 0 40 IDAB COc1cccc(CN2CC3(C2)C(=O)N(Cc2ccc(C)o2)C(=O)[C@@H]2C[C@@H](O)CN23)c1 225440950 RJLIIXDJUGFJRI-XLIONFOSSA-N 425.485 1.155 0 40 IDAB biogenic,in-vitro COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 408606413 LXVKLZDOGGCDNS-SNVBAGLBSA-N 447.922 1.302 0 40 IDAB COCCO[C@H]1CCCN(C(=O)c2cncc(C(=O)N3CCC[C@@H](OCCOC)C3)c2)C1 559058727 RKJRIYXHTUUGFK-OYRHEFFESA-N 449.548 1.617 0 40 IDAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)O)ccc12 2146126 TUPPGOJYEFCQBD-UHFFFAOYSA-N 438.436 1.388 0 40 IDAB biogenic CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCC(C)C)n2N)c1 3319247 JROSMZDKQPAQQJ-UHFFFAOYSA-N 440.595 1.554 0 40 IDAB CSCC[C@H](C(=O)OCn1nnc2ccccc2c1=O)N1C(=O)c2ccccc2C1=O 3347696 VNCWWZRNSHFDPH-QGZVFWFLSA-N 438.465 1.710 0 40 IDAB O=C(COC(=O)CNC(=O)c1ccccc1I)NCC(F)(F)F 3351392 IOSXOANQRUIMAR-UHFFFAOYSA-N 444.147 1.243 0 40 IDAB Cc1ccc2c(c1)[C@]1(N[C@H](CCC(=O)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 8790438 BMRYPTQIJUYKGS-MASGSYHESA-N 447.491 1.823 0 40 IDAB biogenic C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCc1ccccn1 9061034 VOLJLRKDTUYZSR-HNNXBMFYSA-N 448.520 1.443 0 40 IDAB CN(C)Cc1ccc(CNC(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1 9455099 YHTUAQFLIKCILN-LJQANCHMSA-N 426.542 1.978 0 40 IDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 9490908 VJOFIPHKADYWFZ-KFWWJZLASA-N 430.457 1.874 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H](C)c3ccncc3)CC2)cc1 9544596 VALBLRBOWLDTFJ-SFHVURJKSA-N 444.557 1.881 0 40 IDAB CC(=O)N[C@@H](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 9612536 DCYFNHQDVURIQY-FQEVSTJZSA-N 431.514 1.914 0 40 IDAB Cc1cc(C)nc(SCCn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1 10248646 KHIKFECXEWORGY-CYBMUJFWSA-N 443.577 1.869 0 40 IDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc2c(c1)OCO2 12080750 FTPRGGIIWMVDIM-SFHVURJKSA-N 445.859 1.300 0 40 IDAB Cn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c2ccccc21 12735746 JETYXMVJCWXWLY-UHFFFAOYSA-N 432.477 1.012 0 40 IDAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12779302 IKOGJQRTHNECJK-UHFFFAOYSA-N 444.481 1.830 0 40 IDAB COc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 13009923 BRQRNAYTTCPKLP-OAHLLOKOSA-N 439.468 1.916 0 40 IDAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O 13533223 AKUCIMOMWJXQHL-UHFFFAOYSA-N 433.486 1.917 0 40 IDAB COC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 13647055 NEZOTEKOIZPAJJ-CYBMUJFWSA-N 426.491 1.024 0 40 IDAB COc1ccccc1N(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccccc1 13847078 XAHVWHUHXCXPLH-UHFFFAOYSA-N 447.557 1.729 0 40 IDAB O=C(Nn1cnc2ccccc2c1=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 14044073 VXLLGHQDEBFNSE-OAHLLOKOSA-N 428.470 1.238 0 40 IDAB C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)NCc1ccc2c(c1)OCO2 15274559 FSEWLKWPGWFZIO-JTQLQIEISA-N 440.861 1.578 0 40 IDAB CN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O 18039514 OUTMWUYZKMKNAI-YKSBVNFPSA-N 448.479 1.357 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(NC(=O)C2CC2)cc1 18151419 SYPFTQVBZODXGQ-UHFFFAOYSA-N 443.525 1.986 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)COC(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 18261833 ZYTVCGRJACDCHZ-UHFFFAOYSA-N 434.539 1.774 0 40 IDAB O=C(CN1CCCCCC1=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 19708333 BXBNAJNYSRZQRO-UHFFFAOYSA-N 428.533 1.663 0 40 IDAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCN(c3ccccc3)CC2)cc1 19797012 OTTGMOKQFLEXLS-SFTDATJTSA-N 434.583 1.757 0 40 IDAB Nc1nc(CN2CCN(C(=O)c3ccco3)CC2)nc(Nc2ccc3c(c2)OCCO3)n1 19899266 QPPSVUCFPGOPNQ-UHFFFAOYSA-N 437.460 1.520 0 40 IDAB CCc1ccc(Cn2nccc2NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 21599593 PAVMWMYFLKZWRM-KRWDZBQOSA-N 443.529 1.598 0 40 IDAB O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@@H](O)c1ccccc1 36579887 CDRUFNNWRBEJEQ-IAGOWNOFSA-N 425.441 1.466 0 40 IDAB O=C1N[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CS[C@@H]1Cc1ccccc1F 40052191 HRXMGTJELOOVAB-WOJBJXKFSA-N 441.528 1.953 0 40 IDAB COCCNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 40286956 ZKLDTXOYVZWTGM-SFTDATJTSA-N 425.485 1.485 0 40 IDAB CN1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3C)CC1 44902520 ZEUCMGLKWHQTHC-UHFFFAOYSA-N 426.443 1.284 0 40 IDAB O=S(=O)(N1CCOCC1)N1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 72371312 USBQHFYZYWAPQM-AWEZNQCLSA-N 442.488 1.676 0 40 IDAB C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)c1nnc2n1CCCC2 89913824 GGDKBHMXBBHLJX-LLVKDONJSA-N 434.294 1.980 0 40 IDAB CC(C)(C)NC(=O)CNc1nc(NCC(=O)NC(C)(C)C)nc(OCC(F)(F)F)n1 95431447 AQAGDGKMOUVGMO-UHFFFAOYSA-N 435.451 1.466 0 40 IDAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12 96263163 ZMANWCWFZNYZQT-SFHVURJKSA-N 444.557 1.893 0 40 IDAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O 138942992 FJBCIHHKPXLPQT-MRXNPFEDSA-N 439.468 1.987 0 40 IDAB CN1c2ccccc2C(c2ccccc2)=C(C(=O)NCCN2CCOCC2)S1(=O)=O 219180958 NSPDZUDTUUKWLI-UHFFFAOYSA-N 427.526 1.674 0 40 IDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1nc(-c3cccs3)no1)O2 219400731 SKKWARYBNLXVAL-CQSZACIVSA-N 434.499 1.950 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 224268861 NTUXQSVUKZXQAZ-UHFFFAOYSA-N 428.514 1.991 0 40 IDAB Cn1ccc(C(=O)N2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccn2)C3=O)n1 306123248 AIKQIUTZIWYXHT-CVDCTZTESA-N 432.484 1.248 0 40 IDAB Cn1cnc(CCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)n1 524734838 QYCUGBRDCFMYDH-NRFANRHFSA-N 430.468 1.679 0 40 IDAB biogenic O=C1NCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@@H]1c1ccccc1C(F)(F)F 541941278 ZGDYMNDOEAFKED-GOSISDBHSA-N 430.390 1.923 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3cn(C)c(=O)nc3O)no2)c(C)c1 685364743 LWWBAUCLPSKQDN-HNNXBMFYSA-N 445.501 1.987 0 40 IDAB C[C@]1(C(=O)NCc2ccc3c(c2)C(=O)NCC3)C[C@H](O)CN1C(=O)OCc1ccccc1 1611288256 BWAPNZQOUJWQQB-YADARESESA-N 437.496 1.751 0 40 IDAB C[C@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@@](C)(O)c3cccc(F)c3)cn2)C[C@@H](C)O1 1623184534 XTGNAGCUMIVWKJ-LRAJWGHMSA-N 433.484 1.687 0 40 IDAB COc1cc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2=O)ccn1 1775972607 NHISIDYLQMGFBJ-UHFFFAOYSA-N 426.292 1.890 0 40 IDAB CN(c1ccccn1)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1889237060 KZRNNHQCQXALRX-UHFFFAOYSA-N 444.557 1.844 0 40 IDAB Cc1cnc(CNC(=O)[C@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)nc1 2056226408 QLROHZIDZBNYFS-ACJLOTCBSA-N 438.410 1.275 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1CN(CCO)S(=O)(=O)c1ccc(F)cc1)OCCO3 919635 IRZMPGNJOROWDI-UHFFFAOYSA-N 434.445 1.622 0 40 IDAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 1325682 ITJCDMHXRPAMIZ-HNNXBMFYSA-N 438.527 1.588 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 2109895 OXOCUKWQNNKTOD-WYRIXSBYSA-N 432.473 1.780 0 40 IDAB biogenic CC(=O)Nc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 3459182 GCBHQTKHDOHXBE-UHFFFAOYSA-N 431.514 1.865 0 40 IDAB O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 9061280 WJULIDYZFJUBJH-UHFFFAOYSA-N 442.541 1.926 0 40 IDAB CC(C)c1cc(C(=O)N2C[C@H](C(=O)N(C)C)[C@]3(COc4ccccc4C(=O)N3)C2)n(C)n1 12123713 WNNHTJSDIXDIII-WAIKUNEKSA-N 439.516 1.265 0 40 IDAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 12675425 YSFIYIKYNCJWNY-UHFFFAOYSA-N 443.481 1.332 0 40 IDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 12905298 HYUCDGDQAOIPMG-YWZLYKJASA-N 432.498 1.552 0 40 IDAB O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(OC(F)(F)F)cc1 12995130 NSBURZHNRLPWTQ-NFAWXSAZSA-N 435.424 1.931 0 40 IDAB Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 19077245 DQRRGMKTDDWXQB-UHFFFAOYSA-N 431.543 1.945 0 40 IDAB Cc1sc2ncn(CC3(O)CCN(C(=O)CCN4CCOCC4)CC3)c(=O)c2c1C 19561350 TUJQDPFOQCPXOS-UHFFFAOYSA-N 434.562 1.151 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccc4c(c3)OCO4)CC2=O)c1 20738759 QNUDKWZWVGPSII-HNNXBMFYSA-N 425.441 1.323 0 40 IDAB CCCCn1c(COC(=O)CNC(=O)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 20821213 BDULQDNIZPJTHY-UHFFFAOYSA-N 444.513 1.957 0 40 IDAB Cc1cccc(OCCNC(=O)COC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 21762175 NNAIHABDQDMILX-UHFFFAOYSA-N 440.543 1.500 0 40 IDAB O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610861 RHXLSQUHTBDVQO-UHFFFAOYSA-N 443.997 1.720 0 40 IDAB Cc1cc(C)n(CC(=O)Nc2cccc(I)c2)c(=O)c1C(N)=O 32876455 AZWYWZLSWXQJBE-UHFFFAOYSA-N 425.226 1.807 0 40 IDAB Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(C4CC4)[C@H](C(=O)NC4CCCC4)[C@@]34C=C[C@]2(C)O4)no1 35289994 GIROLZLCWUZLJH-JNPMMSBMSA-N 440.500 1.683 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)cc1OC 35432469 GBQIRSLDVVGASD-UHFFFAOYSA-N 429.498 1.804 0 40 IDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)NCc2cccnc2)cc1 36358296 PETQXCSFVKOBHJ-LJQANCHMSA-N 444.557 1.575 0 40 IDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2nccs2)CC1 36390279 HPJWSLOGZBVTQC-GOSISDBHSA-N 427.530 1.647 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1cn2ccccc2n1 40161017 YXSDJPYFKXDOHH-UHFFFAOYSA-N 430.486 1.480 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 57414867 QQMDUVHEBUQAFO-IBGZPJMESA-N 438.488 1.088 0 40 IDAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)N(C)S(=O)(=O)N1 72335126 NFBZOFQMQBAUTI-CABCVRRESA-N 431.440 1.966 0 40 IDAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2C[C@H](C)Oc3ncccc32)cc1 95433547 ABWFUUABWSEAGZ-AWEZNQCLSA-N 426.516 1.871 0 40 IDAB COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1 96099643 YBSQRHOAFYPZAK-UHFFFAOYSA-N 427.548 1.673 0 40 IDAB COc1cc([C@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc2c1OCCO2 96115267 NTXWDLQVBZUHLP-HNNXBMFYSA-N 431.441 1.814 0 40 IDAB biogenic COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 103515211 CBFVFKZESBYWGA-QCUYGVNKSA-N 434.290 1.322 0 40 IDAB Cc1ccc(N2C(=O)[C@H]3NN=C(C(=O)CCN4C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 103525927 JIPMAJYWEQFPSK-HKUYNNGSSA-N 430.420 1.068 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 222471229 VCFAVMCLKBZQHG-GOSISDBHSA-N 446.573 1.771 0 40 IDAB CN([C@@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1)S(C)(=O)=O 222806094 CWRYKMOEWOKWSE-LJQANCHMSA-N 431.514 1.730 0 40 IDAB COCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222816699 GUVICYNDBREBFZ-AWEZNQCLSA-N 433.958 1.101 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1C 239578932 DBGZUUSBVAHECG-UHFFFAOYSA-N 440.591 1.739 0 40 IDAB Cc1ccc2nc(C(=O)N3CCN(C)[C@@H](C(=O)NCCOc4ccccc4C)C3)cn2c1 257236400 HBZBGZIGLYANGR-HXUWFJFHSA-N 435.528 1.903 0 40 IDAB Cn1ccc(C(=O)N2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccn2)C3=O)n1 306123250 AIKQIUTZIWYXHT-XXBNENTESA-N 432.484 1.248 0 40 IDAB C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1 408614880 JGKNJKMXWUZNDR-AEFFLSMTSA-N 425.485 1.232 0 40 IDAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(Cc2nc3ccccc3[nH]2)CC1 524734612 VCSTUMWCKWVYLR-FQEVSTJZSA-N 446.511 1.784 0 40 IDAB CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 575424735 WIMNBEASQBYJTJ-IBGZPJMESA-N 436.555 1.701 0 40 IDAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@H]3C2)nn1 1888890053 CBLMXZWMFIGJIK-CALCHBBNSA-N 435.594 1.340 0 40 IDAB CCCCN(C(=O)CN1CC(=O)Nc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3487054 WUQAKHJPXJKIIE-UHFFFAOYSA-N 442.520 1.367 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1CN(CCCO)C(=S)NC[C@H]1CCCO1)OCCO3 6445108 GXCSBGCJCLVMHA-MRXNPFEDSA-N 433.530 1.537 0 40 IDAB Cc1ccc(C)c(-c2nn(CC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c1 9256399 YQPUCNGLXUZGTC-INIZCTEOSA-N 425.510 1.984 0 40 IDAB Cn1cnnc1SCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 9662476 ZTVNNROFHXPGJN-UHFFFAOYSA-N 431.927 1.220 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 10251319 LAIABKLHPHEHNZ-UHFFFAOYSA-N 438.469 1.216 0 40 IDAB CC(C)[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N[C@@H](C)C(=O)O 11866875 OIQGFFMZWQWBET-RBZFPXEDSA-N 444.484 1.781 0 40 IDAB biogenic Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCN2S(=O)(=O)c2ccc(C)cc2)cc1 12080761 MSVWMDQTFPAFQT-LJQANCHMSA-N 431.514 1.083 0 40 IDAB Cc1nc(C)c(CC(=O)N2C[C@H](C(=O)N(C)C)[C@]3(COc4ccccc4C(=O)N3)C2)s1 12123982 QNAIWGQZUQWYSA-OPAMFIHVSA-N 442.541 1.410 0 40 IDAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(CC(=O)N(C)C)CC3)cc2)cc1 12557234 SPLSPNLCMSGGKR-UHFFFAOYSA-N 444.557 1.642 0 40 IDAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12935330 WPKXGWNBOZXJKB-UHFFFAOYSA-N 425.938 1.923 0 40 IDAB COCCN(CC(=O)N1CCN(c2ccccn2)CC1)Cc1nnc(-c2cccs2)o1 12985777 NHPQOUTUOMHXJD-UHFFFAOYSA-N 442.545 1.990 0 40 IDAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)[C@H](CC)c3nnnn3CCOC)cc2c1 13510416 RFEGDELIJOCOHJ-HXUWFJFHSA-N 444.536 1.895 0 40 IDAB Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C1CC1 14182767 YGIWEYISHYDZOS-UHFFFAOYSA-N 435.575 1.688 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCN(c2ncnc3c2cnn3C)CC1 14856574 MXFGPGPLWJOTJG-UHFFFAOYSA-N 445.531 1.927 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)CC1 15858239 RTLKODQYODMDDL-UHFFFAOYSA-N 429.882 1.321 0 40 IDAB CC(C)CN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 15934611 MIWAOEAEUSIQEI-HNNXBMFYSA-N 436.983 1.632 0 40 IDAB COc1cccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)c(OC)c3)C2=O)c1 16091156 VYMGZJPADOZGFO-JOCHJYFZSA-N 427.457 1.796 0 40 IDAB CCCN1C(=O)NC2(CCN(S(=O)(=O)c3cc(OCC)ccc3OCC)CC2)C1=O 17271922 GCYWNYXRBVLGAU-UHFFFAOYSA-N 439.534 1.969 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)COc3ccccc3)CC1)C2=O 19699347 BOIVDMQPHVRKHW-UHFFFAOYSA-N 428.533 1.853 0 40 IDAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)[C@@H](C)CN1CCOCC1)CC2 19711385 QYGROEFACCYQJA-INIZCTEOSA-N 444.580 1.097 0 40 IDAB CC(=O)NCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccc(F)cc1)C(=O)C2 19744270 HXFSFYGNCZVGIA-IBGZPJMESA-N 439.491 1.856 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 20610505 PPCAFGJIMNCBIO-XYQTXAPISA-N 435.480 1.305 0 40 IDAB biogenic Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1C 22474814 WCKUSSCRKMFBJB-UHFFFAOYSA-N 438.532 1.388 0 40 IDAB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(Cc2cccc3ccccc23)CC1 22787373 QRCJAQPSJVAUKS-NQIIRXRSSA-N 429.586 1.991 0 40 IDAB NC(=O)c1ccc(N2CCC(C(=O)OCC(=O)N3CCc4sccc4C3)CC2)nc1 22868104 MCEZZDKLOHSSEQ-UHFFFAOYSA-N 428.514 1.587 0 40 IDAB COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc(NC(C)=O)c2)N2CCOCC2)c1 23107168 PQZVQUKPRMNMFB-OAQYLSRUSA-N 440.500 1.782 0 40 IDAB CCOC(=O)c1cc(CC)sc1NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O 23597769 OLGUYDFVJOECMW-UHFFFAOYSA-N 441.531 1.538 0 40 IDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)[C@@H]3C[C@H]3C)CC2)c(C)c1C 24756742 ANMLTDWPEIYOMM-BFUOFWGJSA-N 435.590 1.834 0 40 IDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccsc1C(=O)OC 24833259 IQDUYPZDZHLGOT-UHFFFAOYSA-N 440.499 1.955 0 40 IDAB CCn1c(N2CCN(C(=O)COc3ccccc3OC)CC2)nc2c(C)nn(C)c2c1=O 28559054 UYOIRCASIHAVJN-UHFFFAOYSA-N 440.504 1.195 0 40 IDAB O=C([C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)c2ccccc2O1)N1CCOCC1 32788192 ZIBOWBLPGMNLGQ-NRFANRHFSA-N 434.452 1.050 0 40 IDAB CC(C)(C)c1nc(COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)no1 32928636 KKCJHSSTQVRCLA-UHFFFAOYSA-N 427.454 1.884 0 40 IDAB C[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccc2c(c1)OCO2 32946804 WYCDVVPPBXXMPD-NSHDSACASA-N 448.526 1.919 0 40 IDAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1nnnn1-c1ccccc1 40089680 ITBLCXQYBHQDJQ-CQSZACIVSA-N 432.531 1.932 0 40 IDAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)n[nH]3)c2=O)c1 57426905 WQMLVQPOTBQVAP-UHFFFAOYSA-N 425.470 1.952 0 40 IDAB O=C1NCCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)[C@H]1c1ccccc1 58158539 MGQGDIZLUQQLEF-IBGZPJMESA-N 444.285 1.874 0 40 IDAB COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 64837133 UJSAXGVXDDYNLI-UHFFFAOYSA-N 426.498 1.956 0 40 IDAB O=C(CN1Cc2ccccc2C1)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338799 WPIIUPJLJHOKGW-QFIPXVFZSA-N 426.542 1.971 0 40 IDAB COCCn1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2c1=O 96115125 QQWYODDHSCFEAZ-LNLFQRSKSA-N 445.545 1.707 0 40 IDAB biogenic Cc1cccc2c1NC(=O)[C@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 105348207 DOUIWKYWWJPRLI-WQBXRSEUSA-N 439.899 1.950 0 40 IDAB CCN(CC(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21)S(=O)(=O)c1ccc(F)cc1 226056363 KLIXWUUTCATGLX-SFHVURJKSA-N 436.461 1.804 0 40 IDAB CN1CCN([C@H]2CCN(C(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)CC[C@@H]2O)CC1 257238468 HLCORMQIEDAYLI-IRXDYDNUSA-N 425.455 1.795 0 40 IDAB CN(C)CCOc1ccc(CN(C)C[C@@]2(O)CCN(c3cc(N(C)C)ncn3)C2)cc1 257310667 UGAQYVHUZKMQAI-QHCPKHFHSA-N 428.581 1.556 0 40 IDAB CNCCOc1cccc(C(=O)N2CC[C@@]3(NC(C)=O)CN[C@H](c4ccccc4)[C@H]3C2)c1 257316027 VDVBJWMFDXOXJI-VDKIKQQVSA-N 436.556 1.966 0 40 IDAB CN1CCN([C@H]2CCN(C(=O)CCc3nc4cc(Cl)ccc4n3C)CC[C@@H]2O)CC1 257319344 VRYWIQGBVIKXJW-PMACEKPBSA-N 433.984 1.759 0 40 IDAB O=C(O)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 575425909 IVMZPAJJHDZTGC-LLVKDONJSA-N 439.895 1.081 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(c4nccn5c(C)nnc45)C3)CC2=O)cc1C 575608399 SLDYDUVHKWUFBX-MSOLQXFVSA-N 433.516 1.798 0 40 IDAB CS(=O)(=O)CCC(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ccccn3)C[C@@H]2C1 2055718025 WKRNQAWKHJFNPI-AVRDEDQJSA-N 448.589 1.088 0 40 IDAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1 640194 YXALURBCRTZWIE-UHFFFAOYSA-N 431.514 1.872 0 40 IDAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C 930421 REVPAAOYUWMRGO-UHFFFAOYSA-N 437.909 1.846 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(C(=S)NCc2ccccc2)CC1 3311265 JNYQLOBYHFHGHW-UHFFFAOYSA-N 433.555 1.839 0 40 IDAB COc1ccc(NC(=O)CNC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)cc1 6232627 YZQQLTKAYSDCTD-VDCDIQELSA-N 436.461 1.146 0 40 IDAB Cc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)c(=O)n4C)cc2nc1C 9010485 QNZGCWZGBMSSDR-UHFFFAOYSA-N 425.470 1.598 0 40 IDAB CCOc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)cnc32)cc1 9412838 WTWHIZDNJXVWIE-UHFFFAOYSA-N 448.439 1.786 0 40 IDAB CC[C@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC 9465775 FVGLKLNRDYUNRE-KSSFIOAISA-N 426.535 1.800 0 40 IDAB Cc1cc(C)n(CCCNC(=O)CNS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)n1 9634333 WYXHRVCJYAVGPB-UHFFFAOYSA-N 437.547 1.029 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)C1 12085711 ZWQKHVXZCWVNRM-WAIKUNEKSA-N 443.500 1.319 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCCC[C@@H]2C)c2c(C(N)=O)nc(-c3cccs3)nc21 12276826 LDGJCESQFPHODR-LBPRGKRZSA-N 428.518 1.841 0 40 IDAB COc1ccc(CCN2CNc3c(c(=O)[nH]c(=O)n3-c3ccccc3OC)C2)cc1OC 12371800 NIFYOEBEWXCADV-UHFFFAOYSA-N 438.484 1.979 0 40 IDAB Cc1cc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1Br 12782742 IKLNQPKTUMVCAO-LBPRGKRZSA-N 428.308 1.862 0 40 IDAB CCOc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1OCC(=O)N1CCOCC1 12991189 QLHKOASXPFIJBA-UHFFFAOYSA-N 445.516 1.017 0 40 IDAB Cc1cccc2c(=O)[nH]c(CSc3nnc(CCC(N)=O)n3C[C@H]3CCCO3)nc12 13003756 FRSMRMJWVBGXJX-CYBMUJFWSA-N 428.518 1.712 0 40 IDAB COc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 13010764 GUYLAWVAHFZLDD-OAHLLOKOSA-N 439.468 1.916 0 40 IDAB O=C([C@H]1CN(C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c2ccccc2O1)N1CCCCC1 14237595 PVBKNBIQVOWWMZ-HXUWFJFHSA-N 448.479 1.497 0 40 IDAB CCCCc1c(O)nc(SCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)[nH]c1=O 15958243 OSMULSLUVUBSGB-KGLIPLIRSA-N 430.530 1.718 0 40 IDAB biogenic CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2nc3c(C)cccc3c(=O)[nH]2)n(C)c1 18397136 DAYSDAJZOUXMMS-UHFFFAOYSA-N 432.502 1.958 0 40 IDAB COc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)c1 19564523 RKOMXELIOMYUSM-GOSISDBHSA-N 446.529 1.464 0 40 IDAB CN(C)c1cc(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)nc(-c2ccccn2)n1 19584325 XFTOCVKVMZEUHB-UHFFFAOYSA-N 441.513 1.897 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3c(C)n[nH]c3C)CC1)C2=O 19700690 JOUWHHQFDNXRAB-UHFFFAOYSA-N 444.580 1.604 0 40 IDAB Cc1nc(C)n(CC(=O)N2CC[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)n1 19756858 WLWKIXJKGMISOO-SFHVURJKSA-N 448.527 1.932 0 40 IDAB Cc1ccc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1S(=O)(=O)N1CCOCC1 22020716 XLHRUNFNAKRVQZ-UHFFFAOYSA-N 445.419 1.975 0 40 IDAB Cc1cc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCCC3)no1 22909140 CUZQDBZPPJRQSJ-UHFFFAOYSA-N 433.534 1.482 0 40 IDAB COC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cc1 23818166 QVXAZYRCIWQOBP-NRFANRHFSA-N 431.395 1.835 0 40 IDAB CCOC(=O)c1c(NC(=O)CSc2nnc(C)c(=O)n2N)sc(C(C)=O)c1C 27546191 JYFGFTPBOKVJCM-UHFFFAOYSA-N 425.492 1.141 0 40 IDAB CN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@@H]1CCS(=O)(=O)C1 32895878 FWDYKPZIWLLIDG-GFCCVEGCSA-N 428.308 1.195 0 40 IDAB C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Cn1cccn1 32935781 RMQMMGWSRLKASH-MRXNPFEDSA-N 426.564 1.672 0 40 IDAB CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(CC(=O)N(C)C)CC3)c2c1 36359624 XCHDDYCIDCCIRV-FQEVSTJZSA-N 429.521 1.594 0 40 IDAB C[C@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 36384495 RPEJQWZHUSKURT-CQSZACIVSA-N 435.468 1.902 0 40 IDAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC1=NS(=O)(=O)c2ccccc21 40155292 ZJGPHVZMBCNJLD-LSDHHAIUSA-N 436.534 1.677 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(Cn3nnn(-c4cccs4)c3=O)CC2)cc1 58175527 PFUPQQQZSDTYLR-UHFFFAOYSA-N 434.547 1.153 0 40 IDAB CCn1cc(C(=O)N2C[C@H]2C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 67338431 DDTCCEKPJCASEV-DIERRCTGSA-N 431.562 1.875 0 40 IDAB C[C@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)CN4CCCC4)CC3)n2)C1 72335940 SXOUNAZFTSAJPT-KRWDZBQOSA-N 449.621 1.918 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc([S@@](C)=O)c(F)c3)C2=O)cc1 78879238 ZMICVCUDUSFFLV-WRGVRERRSA-N 433.461 1.977 0 40 IDAB COc1ccc(NS(=O)(=O)N(C)[C@@H](C)C2CC2)cc1S(=O)(=O)N1CCOCC1 79001747 PNWHHKFCQTZSOS-ZDUSSCGKSA-N 433.552 1.103 0 40 IDAB CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)s1 95455462 BRYPDLOBCVRMJJ-UHFFFAOYSA-N 437.591 1.754 0 40 IDAB C[S@@](=O)C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1 95461435 BOXLPKGQFPUVEI-LBEKAKSKSA-N 449.554 1.302 0 40 IDAB C[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccco5)[C@H]34)[C@@H]2C1=O 101261713 KZQAKQMIKBMOJN-JVXAOPOSSA-N 446.506 1.976 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H]3C=CS(=O)(=O)C3)CC2)cc1 101496862 UJZNHPROQLJDSV-IXDOHACOSA-N 426.560 1.507 0 40 IDAB COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3c(C)nn(C)c3C)c(=O)n12 101595619 QWJJUGWLQHRWNT-CZDLMGJFSA-N 438.509 1.209 0 40 IDAB CCOC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cnn(C)c3C)c(=O)n12 101621305 PKAOIWFZDIPOSS-KGLOXBHBSA-N 438.509 1.291 0 40 IDAB CC[C@H](C(=O)NCCN1CCOCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220750853 PPABGWUCRGRMAU-MRXNPFEDSA-N 433.958 1.342 0 40 IDAB C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222894337 XZPDUXMTOCSYME-KRWDZBQOSA-N 449.548 1.793 0 40 IDAB C[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 223891064 ZXEKAJMPCDVAOS-AWEZNQCLSA-N 440.543 1.742 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c1 225662094 FSFGLCYZJBWBIS-UHFFFAOYSA-N 425.514 1.924 0 40 IDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3I)C(=O)[C@H]12 409284278 TWGHZIWJTQCOAP-VWPFQQQWSA-N 439.205 1.667 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C(=O)C(Cl)(Cl)Cl)c1 575424714 VXRJMHXMUQHTRD-WDEREUQCSA-N 448.777 1.934 0 40 IDAB COc1cc([C@@H](CC(=O)NCCc2ncn(C)n2)c2oc(C)cc(=O)c2O)ccc1O 604405173 LRVVAJBWKMXSET-CQSZACIVSA-N 428.445 1.377 0 40 IDAB biogenic COC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)CCNC(=O)OCc1ccccc1 1656945948 PGZHPPMGVLLVRS-GOSISDBHSA-N 438.477 1.756 0 40 IDAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)c5ccc(OC)c(C)c5)C[C@H]4C3)nn12 1888944376 SARNJNBAVPHRDA-HZPDHXFCSA-N 442.545 1.761 0 40 IDAB Cn1c(=O)c2[nH]c(CCCCc3nc4c([nH]3)c(=O)n(C)c(=S)n4C)nc2n(C)c1=S 1621552 NSONFMCGPFMALE-UHFFFAOYSA-N 446.562 1.538 0 40 IDAB in-vitro Cc1ccc(OC[C@@H](O)Cn2c(NCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 2224172 AKVXVIMLPXYVEW-KRWDZBQOSA-N 435.484 1.784 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCNC(C)=O)c1 6026355 KFWRJELSSBRDAT-UHFFFAOYSA-N 426.539 1.018 0 40 IDAB O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)NCc1ccco1 8728640 SLPVFYCTYWULML-UHFFFAOYSA-N 437.499 1.850 0 40 IDAB CCOC(=O)C1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C)c2)CC1 8775063 XRJOQFWKXIABCY-UHFFFAOYSA-N 439.516 1.570 0 40 IDAB CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1 8840362 BVZYTQSFIYCBCU-UHFFFAOYSA-N 438.527 1.966 0 40 IDAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1cccnc1 9410963 XQRXNQYGAYQFIS-UHFFFAOYSA-N 430.530 1.305 0 40 IDAB COc1ccc(CCNC(=O)c2nnn(-c3ccc(OC)c(OC)c3)c2N)cc1OC 9530754 WQPBCOYPRHALHO-UHFFFAOYSA-N 427.461 1.856 0 40 IDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1cccs1 12080691 VTALHWPVTWTCLB-CQSZACIVSA-N 443.934 1.181 0 40 IDAB COc1ccc([C@@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c2nccn2C)cc1 12506903 FIKZQDHKTVXKMS-GOSISDBHSA-N 427.486 1.132 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)C(=O)N(CCc3cccs3)C1=O)OCO2 12776844 PRQMWMYNXWNVEX-UHFFFAOYSA-N 443.437 1.651 0 40 IDAB CCc1cc2c(=O)n(NC(=O)c3ccc(OC)c(S(=O)(=O)NC4CC4)c3)cnc2s1 12933384 RUKDSABHZIRTBC-UHFFFAOYSA-N 448.526 1.854 0 40 IDAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)cc1 14094707 UBQXEBWQGXOPIC-INIZCTEOSA-N 433.534 1.963 0 40 IDAB O=C(NC[C@H]1COc2ccccc2O1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 14095135 ZZPYMFSJLXYFOR-INIZCTEOSA-N 441.509 1.804 0 40 IDAB CCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCN(C(C)=O)CC2)cc1 16837643 TXVZESKKVBTUPX-UHFFFAOYSA-N 426.517 1.722 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 17169664 YMYSBPPCIGQVRM-UHFFFAOYSA-N 444.937 1.776 0 40 IDAB Cc1nn2c(-c3ccc(S(=O)(=O)NCCN4CCOCC4)o3)nnc2c2ccccc12 20547383 AXFCGCBXMVGACE-UHFFFAOYSA-N 442.501 1.456 0 40 IDAB O=C(CN1CCN(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1)Nc1ccccc1Cl 22919548 TXACDGIOWMVJQO-UHFFFAOYSA-N 447.923 1.587 0 40 IDAB O=C(NCc1ccc(-n2cncn2)nc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 48261162 QSTONYNQBWQLLC-GOSISDBHSA-N 426.502 1.522 0 40 IDAB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C 69704177 RCSKLZZSXVVDIL-KRWDZBQOSA-N 425.576 1.819 0 40 IDAB CS(=O)(=O)c1cccc(C(=O)N(CCN2CCCS2(=O)=O)c2cccc(F)c2)c1 72309969 BNLFLAKSKJVEBQ-UHFFFAOYSA-N 440.518 1.912 0 40 IDAB CCCC[C@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)N1CCCS1(=O)=O 89950179 ZOMOMWMEQUKBAK-RBUKOAKNSA-N 442.626 1.126 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)nn4)CC3)C2=O)cc1 100205785 MHPPPRVNYOPOHE-INIZCTEOSA-N 443.891 1.761 0 40 IDAB COc1ccc(N2C(=O)C[C@@H](N(Cc3ccc(S(N)(=O)=O)cc3)C(C)=O)C2=O)cc1 100832845 YZZKBJDURTVRAV-GOSISDBHSA-N 431.470 1.023 0 40 IDAB CCOC(=O)/C=c1/s/c(=C/c2ccc(SC)cc2)c(=O)n1CC(=O)N(CC)CC 105744628 YGTLBEUVXFGQJP-RNCFGZQNSA-N 434.583 1.673 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccccc2NS(C)(=O)=O)cc1 224218650 CBFPXHQZTXZLMR-UHFFFAOYSA-N 441.531 1.117 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 225224343 MVJNYSXPECTCGD-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB Cc1ccc(OCC(=O)N[C@@H](CC(N)=O)C(=O)O)c([C@H]2Cc3ccccc3C(=O)O2)c1 256028166 XJRXUHKHVNALRO-FUHWJXTLSA-N 426.425 1.273 0 40 IDAB O=C1CCCN1CCCOc1ccc(CNC[C@]2(O)CCCN(c3cnccn3)C2)cc1 257263079 LOHUWLOHJXTQLO-XMMPIXPASA-N 439.560 1.989 0 40 IDAB O=C(CCNC(=O)c1cccnc1)NCc1ccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)cc1 257274753 NMMLNTZVTRPLKM-VCOUNFBDSA-N 437.500 1.625 0 40 IDAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)c1=O 575614783 HNFHFHHJHQGGBO-UHFFFAOYSA-N 425.367 1.372 0 40 IDAB CC(C)(CO)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 679316956 PTJWNEUYXOCJMB-MRXNPFEDSA-N 425.476 1.808 0 40 IDAB O=S1(=O)CCCCN1c1ccc(S(=O)(=O)N2CCCN([C@H]3CCOC3)CC2)cc1 1565523845 YKLOGZDQLUZCGQ-SFHVURJKSA-N 443.591 1.102 0 40 IDAB COC(=O)c1cc(NC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)nn1C 1664090496 GPYOCXJTWUTDJE-UHFFFAOYSA-N 437.403 1.798 0 40 IDAB Cn1cc(-c2ccc3c(c2)NC(=O)CN2CCN(C(=O)c4ccncc4)C[C@H]2CO3)cn1 1772594588 NUOWAPUDIFHYJJ-IBGZPJMESA-N 432.484 1.640 0 40 IDAB O=C1N[C@H]2CCCN(C(=O)Cn3ccc(O)nc3=O)[C@H]2CCCCCOc2ccccc21 1848354577 PPWVEEDNNUXDNL-ROUUACIJSA-N 440.500 1.691 0 40 IDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 2620115 OPZJNMIUJYEZEY-NRFANRHFSA-N 442.497 1.269 0 40 IDAB CC(C)Cn1c(N)c(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(=O)n(C)c1=O 3493041 WJJVZMOZSANMAA-UHFFFAOYSA-N 449.924 1.389 0 40 IDAB CCCC(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@H](CCC(=O)OC)C(=O)OC 5396005 ZSLUCURJGQBZTH-IAGOWNOFSA-N 438.546 1.816 0 40 IDAB CCOC(=O)[C@@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 6577451 NVANLPJIGKGRNG-SNVBAGLBSA-N 435.893 1.932 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n(C)c1=O 9715404 HRPBTEXCKFWRKR-UHFFFAOYSA-N 432.412 1.474 0 40 IDAB CCOc1ccc(C(=O)N[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1 9960631 VPVGSZHEDSGMEF-HXUWFJFHSA-N 447.557 1.846 0 40 IDAB COc1cccc(N2C[C@H](C(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)CC2=O)c1 13017539 HOIGZNGXDJSPTA-GOSISDBHSA-N 436.512 1.831 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1COc2ccccc2O1 13568377 QHAHFFBPLBTVKR-IBGZPJMESA-N 434.470 1.495 0 40 IDAB CN1C(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2OCC(=O)c2ccccc2)C1=O 13727915 LCUITXSOSYAJTR-UHFFFAOYSA-N 431.470 1.597 0 40 IDAB COc1ccc(N2C[C@H](NC(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)CC2=O)cc1 16047647 RKFKJLHKJQPDNG-OAHLLOKOSA-N 446.485 1.447 0 40 IDAB Cc1ccc2c(c1)cc(C(=O)N[C@H](C)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1)n2C 19221240 NOZJPHUXWIYYOD-CVEARBPZSA-N 447.557 1.457 0 40 IDAB COCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)cc(=O)[nH]2)CC1 19592753 XMVNKFOSBNQZRM-KRWDZBQOSA-N 439.516 1.537 0 40 IDAB CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@@H]2CCCN2C)n1 19759932 HOEFTYLAKRONPB-INIZCTEOSA-N 433.534 1.877 0 40 IDAB CCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 19940492 JOKXZWCMQOTHSK-UHFFFAOYSA-N 432.546 1.676 0 40 IDAB Nc1cc(N)nc(S[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 20198380 AHVSAGISFNVUIQ-INIZCTEOSA-N 430.515 1.761 0 40 IDAB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)cc(Br)c1OCC(N)=O 22345121 AVSYJXZHAPUIIX-NTUHNPAUSA-N 440.294 1.772 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2OCc2noc(C)n2)cc1 22987611 GXLLDBCHVLDTDD-UHFFFAOYSA-N 446.485 1.674 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21 27914715 HPZKLKCAGGUNEY-UHFFFAOYSA-N 432.477 1.163 0 40 IDAB Cc1ccc2nc(C)c(C(=O)N3CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)cc2c1 30664403 PMCRSZABHXRYRV-IRXDYDNUSA-N 446.573 1.963 0 40 IDAB COc1ccc(CCN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1OC 30865102 JGSJTBNHXOCIOW-UHFFFAOYSA-N 437.518 1.368 0 40 IDAB CC[C@H](C)N(C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 34896586 CNPHIMUXYUAWBF-HZUJVAHNSA-N 435.546 1.658 0 40 IDAB CCCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccco2)S(=O)(=O)c2ccccc2)CC1 36625529 HTRRPVDQYGUGHN-FQEVSTJZSA-N 447.513 1.280 0 40 IDAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc(C(=O)NC)c1C 36724064 UOQUQNTXLCQZNV-LLVKDONJSA-N 431.536 1.203 0 40 IDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccccc2C1=O 39585641 ZPOBRUATBNHCFD-OAHLLOKOSA-N 437.452 1.586 0 40 IDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1 57730169 JGZQXTFPOJEZOK-CQSZACIVSA-N 431.522 1.207 0 40 IDAB COc1ccc(CCNC(=O)c2nc3n(n2)-c2ccccc2S(=O)(=O)N3)cc1OC 69564584 HPYJJKLZMDHMFK-UHFFFAOYSA-N 429.458 1.371 0 40 IDAB C[C@@H](C(=O)NCCc1cccc(F)c1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326358 TZVKNJOBMWVVHU-NPMXOYFQSA-N 439.491 1.832 0 40 IDAB COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 77200060 PSYGWEHMRBGPDS-KRWDZBQOSA-N 425.482 1.128 0 40 IDAB CCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1C[C@@H](OCC)C12CCCCC2 78874767 AZXRPQWAEXRIMV-IAGOWNOFSA-N 445.564 1.800 0 40 IDAB O=c1occ(CN2CCOCC2)c(O)c1CN1CCN(CCOc2ccccc2)CC1 79478470 RYOMKMNHRFYPCN-UHFFFAOYSA-N 429.517 1.374 0 40 IDAB COc1ccc(-n2nncc2CN2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cc1F 90590551 BJZCTUWETQQCPI-UHFFFAOYSA-N 439.495 1.975 0 40 IDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(CCc2ccccn2)CC1 96231709 MREGAIBSUBSRFS-NRFANRHFSA-N 435.528 1.669 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1N1CCCCS1(=O)=O 101658272 ZHRKTXFQKIREBW-JYJNAYRXSA-N 433.530 1.892 0 40 IDAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224073221 BZUYIIWQOGEQCD-INIZCTEOSA-N 443.525 1.427 0 40 IDAB Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(C4CC4)[C@@H](C(=O)NC4CCCC4)[C@@]34C=C[C@@]2(C)O4)no1 227207090 GIROLZLCWUZLJH-RBOGUZDDSA-N 440.500 1.683 0 40 IDAB COCCOc1cc(CN2CC[C@@](O)(CN3CCC(NC(C)=O)CC3)C2)ccc1OC 257223249 DWNXGPGAXHYTPE-HSZRJFAPSA-N 435.565 1.258 0 40 IDAB NC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1 408555807 GLTCWPNKFFNQEA-IBGZPJMESA-N 429.542 1.964 0 40 IDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)c(Cl)c1 408635482 BZLIQWJHNJXKBO-UHFFFAOYSA-N 431.942 1.521 0 40 IDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3nc(-c4ccccn4)no3)CCOCC2)o1 1547138470 AZPOMCDMBANEPN-UHFFFAOYSA-N 440.456 1.896 0 40 IDAB biogenic CC(C)(C)OC(=O)N1CCC(C(=O)N2CC[C@@](C)(O)[C@H](n3ccc(O)nc3=O)C2)CC1 2037873692 CGHGIQALGIEDOJ-QVKFZJNVSA-N 436.509 1.120 0 40 IDAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(Cc3ccc(F)cc3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242112 HDWHKAJYCCOVEC-UFYCRDLUSA-N 445.539 1.213 0 40 IDAB COC(=O)c1ccccc1N1C(=O)C(Cl)=C(Nc2ccc(S(N)(=O)=O)cc2)C1=O 812722 CYXBLQUWCAUBOD-UHFFFAOYSA-N 435.845 1.556 0 40 IDAB COc1nccnc1NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccncc2)cc1 2067102 SZYJBIZFMHXYGZ-UHFFFAOYSA-N 444.498 1.808 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c1 8680938 SQVUTRSNQMIXPK-UHFFFAOYSA-N 432.429 1.633 0 40 IDAB CCc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)cc1 8706549 DTCDSJKILATKDG-UHFFFAOYSA-N 442.479 1.853 0 40 IDAB O=C(CN1CCCCCC1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 9365406 AUCINVQGUXVOTB-UHFFFAOYSA-N 433.574 1.801 0 40 IDAB O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1c[nH]c(C(=O)N2CCCC2)c1 9376731 XZOKHUWOWPQPTJ-LBPRGKRZSA-N 438.531 1.586 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nc3ccccc3[nH]2)c1 9464433 ZONVXCJFJVDCJS-UHFFFAOYSA-N 429.502 1.902 0 40 IDAB COc1ccc(NC(=O)Cn2ccn(-c3ccc(OC)c(OC)c3)c(=O)c2=O)cc1OC 9808704 HFBHGPHZJISTRG-UHFFFAOYSA-N 441.440 1.672 0 40 IDAB CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 10385977 ZLXDDYLSRFNSDG-CQSZACIVSA-N 435.912 1.739 0 40 IDAB CN(C)C(=O)[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@@]12CCc1ccccc1C(=O)N2 12125826 DPJOLEGMFLCSLZ-CZSZKKDXSA-N 434.540 1.218 0 40 IDAB CN(C)C(=O)[C@H]1CN(C(=O)[C@H](N)Cc2ccccc2)C[C@@]12CCc1ccccc1C(=O)N2 12125838 DPJOLEGMFLCSLZ-OTPAQWSUSA-N 434.540 1.218 0 40 IDAB C[C@H](O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(=O)O 12759045 LCVOEJJLTFTRGA-IINYFYTJSA-N 438.424 1.056 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(Cc2ccccc2)CC1 12764758 YYWXKXOKEBUAPH-UHFFFAOYSA-N 425.533 1.192 0 40 IDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCN(C(=O)c2ccccc2)CC1 12779730 WCMQLRGFLHBSBR-UHFFFAOYSA-N 430.530 1.605 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)C(=O)c4cc(F)ccc43)CC2)c(C)c1 12863555 IBDDABPDQRZFOM-UHFFFAOYSA-N 431.489 1.936 0 40 IDAB O=C(CCn1c(=O)oc2ccccc21)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12891321 ZDYPKJRYUPRCOG-FQEVSTJZSA-N 437.452 1.495 0 40 IDAB O=C(CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)NC(=O)NC1CCCCC1 12915681 IDFBAPNMKDEZPT-LJQANCHMSA-N 430.505 1.129 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 13001504 HAPHOPDTCVADPU-ZDUSSCGKSA-N 427.461 1.206 0 40 IDAB Cn1c(=O)c2c(ncn2CCCC(=O)N2CCN(c3ccccc3Cl)CC2)n(C)c1=O 15658057 WTAPCWHMJJFHSX-UHFFFAOYSA-N 444.923 1.216 0 40 IDAB Cc1c(CN2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4)cc3)C2)c(=O)n(C)c(=O)n1C 19577095 ZYTHLCSBBKUKAA-QFIPXVFZSA-N 446.551 1.850 0 40 IDAB CSc1nc2nc(C)c(CC(=O)OCC(=O)Nc3sccc3C(N)=O)c(C)n2n1 19614637 XUBQCDNFZKIGMI-UHFFFAOYSA-N 434.503 1.348 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cc(CC)no3)CC1)C2=O 19700713 XSBFIMCUCINZIK-UHFFFAOYSA-N 431.537 1.886 0 40 IDAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccc2)CC1)Nc1ccccc1 20464773 FQMALKNLIOKHRC-CLAROIROSA-N 426.517 1.120 0 40 IDAB biogenic,in-vitro CC(C)[C@@]1(C)NC(c2nc3ccccc3cc2C(=O)N[C@H]2CCS(=O)(=O)C2)=NC1=O 20649682 LOVSGJPAYASHOD-LHSJRXKWSA-N 428.514 1.443 0 40 IDAB Cc1csc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 21483157 NAMRYHLCZBTKAV-UHFFFAOYSA-N 436.559 1.381 0 40 IDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 25132371 XDJURQBJWKURHM-KRWDZBQOSA-N 447.513 1.234 0 40 IDAB O=C(NCCn1ncc2c(N3CCOCC3)ncnc21)C1(c2ccccc2)CCOCC1 35590550 JJBWODLTSLXXDU-UHFFFAOYSA-N 436.516 1.528 0 40 IDAB O=C(NCc1ccncc1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36360379 LXUMICWXQOJXMB-QGZVFWFLSA-N 428.514 1.535 0 40 IDAB C[C@H](Oc1ccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cn1)c1ccccc1 48237898 VZNLLDBHYYUKEK-MAUKXSAKSA-N 431.514 1.645 0 40 IDAB COc1cccc(N2CCN(C(=O)c3snc4c(=O)n(C(C)C)c(=O)[nH]c34)CC2)c1 49409819 TZTCVNKSGWLEGA-UHFFFAOYSA-N 429.502 1.698 0 40 IDAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C(=O)N1CCCC1 58129441 AMHJISQJCSMRSW-CVEARBPZSA-N 433.530 1.205 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)CC1 62022708 XGELUETVYZZOBS-QGZVFWFLSA-N 435.488 1.456 0 40 IDAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1cccc(OC)c1 67287083 DUDRMHVOXQKTRB-IBGZPJMESA-N 431.489 1.705 0 40 IDAB NS(=O)(=O)c1cccc(NC(=O)Cn2cnc3c(-c4ccccc4)nsc3c2=O)c1 78932058 QMFJLASJRAWCKO-UHFFFAOYSA-N 441.494 1.806 0 40 IDAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)C3CCN(c4ccc(=O)n(C)n4)CC3)nc21 96119215 QAVRWUBFDJHHOH-CYBMUJFWSA-N 431.518 1.685 0 40 IDAB COc1cc(/C=C\c2ccc(OC)c(OC)c2)cc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1 104276673 KHKHFCBOAIPKGG-UJTYIQBLSA-N 448.468 1.062 0 40 IDAB CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccccn3)cn12 107189429 FYTYZBNYDCOSKO-SFHVURJKSA-N 429.488 1.337 0 40 IDAB COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)CN(C)S(C)(=O)=O)cc1 222740007 IMFCXSIJKNKDAH-QGZVFWFLSA-N 447.557 1.620 0 40 IDAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)ccc21 223033711 STVHTCBIKMUOQE-UHFFFAOYSA-N 439.515 1.974 0 40 IDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1 408601056 DXDMGVVPPHGTLG-INIZCTEOSA-N 433.530 1.719 0 40 IDAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCC(=O)O 409108482 UMOAYKPZAYRDPX-CXUHLZMHSA-N 439.424 1.998 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1F 409334644 USTLRHJBZZVCKB-UHFFFAOYSA-N 435.477 1.703 0 40 IDAB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 575422722 VXSLZHJNPODFBD-UWVGGRQHSA-N 430.766 1.625 0 40 IDAB O=S1(=O)CC[C@@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(Br)cc2)C1 575424186 TUGUXSMDACLNKA-KGLIPLIRSA-N 438.365 1.806 0 40 IDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)c1 575424393 AALSCAMWGUZEMX-GJZGRUSLSA-N 445.902 1.391 0 40 IDAB COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3nc(OC)cc(OC)n3)C[C@H]12 585109742 NNEPZXPPPNTBHK-XGHQBKJUSA-N 428.489 1.548 0 40 IDAB CC(=O)NCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1706059030 VFIIPXCKNSUIQK-QGZVFWFLSA-N 434.566 1.237 0 40 IDAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)Nc1ccc(Cl)cc1)CC2 1772595226 DXGQUHPRMVXNPG-GOSISDBHSA-N 435.956 1.769 0 40 IDAB Cc1ccc(Cn2c(SCC(=O)N3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 930515 KYQZGCQLXSQLEI-UHFFFAOYSA-N 427.530 1.505 0 40 IDAB O=C(NC[C@@H]1CCCO1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 3211101 OEIHPIFQEKJGTJ-ZDUSSCGKSA-N 433.324 1.379 0 40 IDAB CC(C)[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C(=O)NC(N)=O 3325413 ZXNHMHODZDUGEC-QGZVFWFLSA-N 430.438 1.440 0 40 IDAB C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)C1 6283292 LTXMAHFVECPGON-KBPBESRZSA-N 429.550 1.878 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccccc1N1CCOCC1 8708550 FOGOQYWHSBPGAP-HSZRJFAPSA-N 436.468 1.692 0 40 IDAB O=C(CSc1nnnn1Cc1cccs1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 9714125 UZFRNQHHHVIJRW-AWEZNQCLSA-N 441.604 1.833 0 40 IDAB Cc1ccc(C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 11402991 LIXSPGSGPQYUPM-HOTGVXAUSA-N 438.546 1.677 0 40 IDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 11858237 TUAQJUOQLVRPDC-GFCCVEGCSA-N 438.483 1.587 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2=O)cc1 12407718 NVUFUKWFEQNBDM-IBGZPJMESA-N 440.544 1.310 0 40 IDAB Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 12875053 HIANQMRXMBJCIV-AVRDEDQJSA-N 436.472 1.486 0 40 IDAB O=C1NC2(CCCCC2)C(=O)N1CC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 13039291 ZOYJERUBVLSXJF-KRWDZBQOSA-N 433.530 1.457 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)o2)n(C)n1 13615092 OGMCGPCOKRBZHD-ZDUSSCGKSA-N 448.480 1.957 0 40 IDAB CCn1nc2c(c1C(=O)N1CCC[C@H]1c1nc3c(c(=O)[nH]1)CCN(C(C)=O)C3)CCCC2 19524089 FVOHLLBSKBTZQK-IBGZPJMESA-N 438.532 1.747 0 40 IDAB CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)[C@@H]1CC(=O)N(CCCOC)C1)C2 19710926 JUMOGMWFWZZAIL-QGZVFWFLSA-N 444.580 1.097 0 40 IDAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC)C(=O)OC 20763138 RGJMHCAKKBGZKJ-HNAYVOBHSA-N 430.461 1.570 0 40 IDAB biogenic O=C(NCc1ccnc(N2CCOCC2)c1)NC[C@H](c1ccccc1)N1CCOCC1 29729378 KMDVABVSJKVLGU-OAQYLSRUSA-N 425.533 1.791 0 40 IDAB COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1F)C(=O)OC 31810566 NKLDNPWHTWWIHH-MAUKXSAKSA-N 434.424 1.319 0 40 IDAB O=C(CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)NC[C@@H]1COc2ccccc2O1 32759656 NNXDIHGFYPPRGA-LJQANCHMSA-N 442.491 1.338 0 40 IDAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 32967000 CGNGIIYKNQJDQR-XLIONFOSSA-N 449.573 1.713 0 40 IDAB COC(=O)c1ccccc1NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O 36367045 VAIYKJVCRPZBPA-UHFFFAOYSA-N 433.467 1.912 0 40 IDAB CC[C@H](C)NC(=O)c1ccc2c(=O)n(C3CC3)c3nn(CC(=O)NC(C)C)c(=O)n3c2c1 38486852 HXTXPILRMFHPGW-ZDUSSCGKSA-N 440.504 1.199 0 40 IDAB Cn1cc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCCc1ccc2c(c1)OCO2 40058744 HTMPBDBVQDYMLG-UHFFFAOYSA-N 431.470 1.798 0 40 IDAB COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cc(C(=O)O)cs3)CC2)c1 49609510 RZKLAYQLANVILY-UHFFFAOYSA-N 426.516 1.970 0 40 IDAB Cc1cc(C)n(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)n1 57478119 CNVKUGNEUVUYKU-UHFFFAOYSA-N 446.508 1.572 0 40 IDAB C[C@H](C(=O)NC1CCCCC1)N1CC[C@@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 72342467 IKZXNYWLPQRPRE-VFNWGFHPSA-N 434.562 1.937 0 40 IDAB 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447.561 1.939 0 40 IDAB O=c1n(Cc2ccc(Cn3nnn(-c4ccccc4)c3=O)cc2)nnn1-c1ccccc1 12697391 RZEABKBVLCBXJE-UHFFFAOYSA-N 426.440 1.268 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)C4CC4)CC3)C2)cc1 12975406 SJGHVPKUNUVBFU-KRWDZBQOSA-N 435.546 1.177 0 40 IDAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1S(=O)(=O)N1CCOCC1 13038592 YHWJNAIZIYFCEJ-HNNXBMFYSA-N 446.529 1.554 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc2nn(CN(C)CC(=O)NC(C)C)c(=S)n2c1 14229401 JRVQDTBMYXENTI-UHFFFAOYSA-N 428.584 1.310 0 40 IDAB CC(C)OCCN1CCN(C(=O)CN2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19450440 CVWXBUVXQBKIRJ-HXUWFJFHSA-N 445.608 1.328 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCN(C(=O)Cc4ccccc4)C3)[nH]c(=O)c2C1 19520431 HELCZHUKGWDLGT-MRXNPFEDSA-N 430.530 1.036 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(S(=O)(=O)c3ccc(C)c(C)c3)C1)C2=O 19700798 FAQINVVHCDECTP-GOSISDBHSA-N 448.589 1.863 0 40 IDAB COc1cccc(N2C[C@H](C(=O)NCCNC(=O)[C@H]3COc4ccccc4O3)CC2=O)c1 20745917 XKEJPCJLZAMDMI-FOIQADDNSA-N 439.468 1.121 0 40 IDAB 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0 40 IDAB CSCC[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)Cc1ccccc1)C(=O)O 5699492 DFSPWFNMFGQHRL-HUUCEWRRSA-N 434.605 1.550 0 40 IDAB Cc1cc2oc(=O)cc(COC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)c2cc1C 8748725 XZBLAUAGNAYZRO-OAHLLOKOSA-N 446.481 1.619 0 40 IDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9593186 HSMWQNLAKNLPRO-HXUWFJFHSA-N 429.542 1.712 0 40 IDAB CCn1c(S[C@@H]2C[C@@H](C)OC2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9871092 PSNHWDGNPIRIHB-MLGOLLRUSA-N 425.532 1.873 0 40 IDAB O=C(NCCOc1ccc(Cl)cc1)C(=O)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 10372679 OEPSGMIPBWBUMC-AWEZNQCLSA-N 429.860 1.531 0 40 IDAB COc1cc(C(=O)N2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)cc(OC)c1OC 12251685 MMLXOWWRXMVPMP-LLVKDONJSA-N 441.531 1.987 0 40 IDAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 13163802 IUNRGCYWXMAHSO-JOCHJYFZSA-N 431.456 1.557 0 40 IDAB CCS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1ccc2c(c1)OCCO2 14396540 ZDRNUQWPEUWQKR-UHFFFAOYSA-N 431.470 1.599 0 40 IDAB CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)N1CCN(C)CC1 19852351 SASUOHNYCHPPMY-UHFFFAOYSA-N 436.969 1.748 0 40 IDAB Cc1ccc(C)c(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)c1 22385760 NUBXFFPGLMBHEC-UHFFFAOYSA-N 436.516 1.396 0 40 IDAB O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 32722508 BKDLYVRZYXIXJR-LJQANCHMSA-N 430.482 1.626 0 40 IDAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 32900302 UYHOVPVLLVPYFP-OAQYLSRUSA-N 425.533 1.965 0 40 IDAB CCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 35291083 HVGITNAIJSOHEE-UHFFFAOYSA-N 432.912 1.464 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 35363833 PPCAFGJIMNCBIO-VBXZMTOYSA-N 435.480 1.305 0 40 IDAB CC[C@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 36228998 RMXBDFAGPSILAI-GXTWGEPZSA-N 432.926 1.869 0 40 IDAB CC(C)c1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 40145415 XURSNCAYEFDFAW-HNNXBMFYSA-N 449.529 1.802 0 40 IDAB O=C(CCn1cnnn1)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352476 PDRKTPWOXSCTMB-OAHLLOKOSA-N 440.529 1.766 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@@H]24)O3)cc1OC 85420711 WNDGURXLUQSKEF-GJPCKUABSA-N 439.468 1.646 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cc(C(=O)OC)ccc21 100876235 IEPSYDSHMPQPHF-XGNMISCSSA-N 442.449 1.930 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222622431 IWFKTZANSDNNMP-INIZCTEOSA-N 435.521 1.918 0 40 IDAB CN(C)C(=O)CN1C[C@H]2CC[C@@H](C(=O)N3CCCCC3)N2c2ccccc2S1(=O)=O 306129556 IGVUHIMKJCIHKZ-AEFFLSMTSA-N 434.562 1.129 0 40 IDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 408597523 XFVWAXTXHHJROY-LLVKDONJSA-N 440.449 1.935 0 40 IDAB COc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c(OC)c1 408661227 MFUFMXVNVNGAIM-QCQDVHPSSA-N 430.457 1.607 0 40 IDAB CC(=O)N1CCN(C[C@]2(O)CCN(Cc3cccc(OCCN4CCCCC4)c3)C2)CC1 585271786 HRNMUYXEMYLIHO-RUZDIDTESA-N 444.620 1.652 0 40 IDAB COc1cc(C)c(S(=O)(=O)N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)cc1C 1888941741 KIJVHUVJSCQEEH-HZPDHXFCSA-N 442.545 1.746 0 40 IDAB COc1ccccc1-n1c(O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[nH]c1=O 2103199 QTPRJQCZWHVTKU-INIZCTEOSA-N 426.381 1.517 0 40 IDAB biogenic CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)Nc3ccccc32)C(C(=O)OCC)=C(N)O1 9076321 ABTMEVQITDTIBH-QFIPXVFZSA-N 444.440 1.411 0 40 IDAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@@]12C(=O)Nc1ccccc12 9189945 PDBRRUIOLAGAFM-JCQPUDPBSA-N 437.452 1.310 0 40 IDAB Cc1c(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc2c3c(c(=O)oc12)CCC3 9486986 GIUIKGFPZSOWLD-UHFFFAOYSA-N 442.493 1.933 0 40 IDAB NC(=O)c1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc(C(N)=O)c1 9509200 JKHIXWPECFBQKK-UHFFFAOYSA-N 449.444 1.514 0 40 IDAB O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O)NC[C@@H]1CCCO1 9660778 ZCAGRXWXBCDKNL-KRWDZBQOSA-N 434.924 1.522 0 40 IDAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3cccnc3)C(=O)[C@@H]1C2 12664575 VMSJUMAPYHPFCO-SFHVURJKSA-N 438.484 1.884 0 40 IDAB biogenic Nn1c(SCC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccc(Cl)cc1 12695589 LIXFIRYEOVAHIW-AWEZNQCLSA-N 441.966 1.583 0 40 IDAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O 14018248 JZOOEPIWWBHZBR-SFHVURJKSA-N 438.412 1.854 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)NC(=O)N[C@@H]1C 16044742 RJDGYKWLWQNCCU-CHWSQXEVSA-N 431.445 1.110 0 40 IDAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=O)n(-c3ccccc3OC)c1=O)NCC2 17197648 WWAUVWRFABKIIP-IBGZPJMESA-N 425.441 1.492 0 40 IDAB biogenic CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)s1 18116207 GKIIYNRFGPVNDE-UHFFFAOYSA-N 444.560 1.932 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cnc(C)cn3)CC1)C2=O 19700671 IYGKEANGGYPERP-UHFFFAOYSA-N 428.537 1.434 0 40 IDAB COc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)NCc1ccccc1 19991860 ZWOHBFHAWLNCFN-UHFFFAOYSA-N 447.557 1.626 0 40 IDAB CCOc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 21150153 YIVASBGWDVXDJI-UHFFFAOYSA-N 446.508 1.707 0 40 IDAB CCN(CC)C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2nc3ccccc3n2C)N1C 22921160 UHDNYBVRWDHEDX-WGGBDISSSA-N 440.592 1.595 0 40 IDAB biogenic,in-vitro O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)nc2sc3c(c12)CCC3 24631115 QGAKQFLMAGFURK-UHFFFAOYSA-N 430.555 1.980 0 40 IDAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)CC1 24776144 ILSLPUZZHCQRTG-UHFFFAOYSA-N 441.536 1.958 0 40 IDAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCN(C(=O)c2cccs2)CC1 25271418 HIUFIVPZBPYXTP-UHFFFAOYSA-N 438.509 1.982 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccsc2)c(=O)n1CC(=O)N[C@@H]1CCCC[C@@H]1C 33528088 QAUOUUZICSCMTC-DYGASRIQSA-N 434.583 1.839 0 40 IDAB O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 36329390 VXRIPCWQPZRIPU-UHFFFAOYSA-N 428.499 1.714 0 40 IDAB O=S(=O)(CCNC(=S)Nc1ccc(F)cc1F)N1CCN(c2ccccn2)CC1 36847253 XQPYOEDVUOUGTD-UHFFFAOYSA-N 441.529 1.798 0 40 IDAB Cc1nc(C)c2c(C)c(C(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)sc2n1 40089308 DDEKVUUHMWEMOK-GHMZBOCLSA-N 426.564 1.785 0 40 IDAB CS(=O)(=O)N(CCCNC(=O)c1cccnc1OCC(F)(F)F)Cc1cccnc1 40105355 RTXIPEGYAVZUEK-UHFFFAOYSA-N 446.451 1.999 0 40 IDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)C1 58086363 CODWTFBQTDTKEO-HZPDHXFCSA-N 425.555 1.661 0 40 IDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2nn(C)c(=O)c3noc(C)c23)CC1 58420464 BPSCWWXAFFFTIO-UHFFFAOYSA-N 438.488 1.189 0 40 IDAB O=C([C@@H](c1ccccc1F)N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 89847740 QECFCUSBLOUNAM-OAQYLSRUSA-N 447.532 1.732 0 40 IDAB CN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)c1cnn2c(-c3cccs3)ccnc12 95464484 OIVCRTBKTJXMQC-CYBMUJFWSA-N 427.486 1.853 0 40 IDAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124115 MFTAYJVQMTURSK-KRWDZBQOSA-N 434.504 1.749 0 40 IDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)Nc4ccccc4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143729 SVGFAADJCKXPCB-LAUBAEHRSA-N 434.562 1.718 0 40 IDAB COc1cccc(C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)C[C@]32CCN(C)C2=O)c1 96144059 GJWCNWYFKUOACW-NRFANRHFSA-N 435.546 1.041 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)cc1 97943958 DJXVCSVQYMNELI-SFHVURJKSA-N 445.476 1.309 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(Cl)ccc21 101345250 BYRPHMNUKDOQNL-UJLXTZEKSA-N 445.950 1.628 0 40 IDAB COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc2O1 223020314 WLJGOCPCQKFOKA-MRXNPFEDSA-N 426.472 1.187 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(-c4cccc(F)c4)no3)CC[C@@H]2O)CC1 257240529 HTYQKZIQGHQCLA-PMACEKPBSA-N 430.480 1.610 0 40 IDAB Cn1nc([C@@H]2CN(S(=O)(=O)N3CCCC3)CCO2)cc1CCOc1cccc(F)c1 257289008 PWPVJTFHACVWHI-FQEVSTJZSA-N 438.525 1.895 0 40 IDAB CCOCC(=O)N1C[C@@H](c2ccnn2C)[C@@]2(CCCN(Cc3csc(C)n3)C2=O)C1 306126418 DUYWNBGVLGHSSM-LAUBAEHRSA-N 431.562 1.956 0 40 IDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1O 408590772 HVIFFKRRQAMACZ-RUDMXATFSA-N 432.170 1.373 0 40 IDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 575426731 YWWLDXYKUIXBAY-JKSUJKDBSA-N 446.547 1.010 0 40 IDAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)[C@H]2C1 585106261 ZYTFCXCSCVNPPD-DBVUQKKJSA-N 435.590 1.942 0 40 IDAB CCN1C(=O)[C@@H]2CN(C(=O)c3cccc(-c4cnc5nc(O)n(C)c5c4)c3)CCN2C1=O 681224447 XJBGIAOWZMUMFM-KRWDZBQOSA-N 434.456 1.449 0 40 IDAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)c5cc(C)ccc5OC)C[C@H]4C3)nn12 1888941651 HPULLSRURLRTDR-HZPDHXFCSA-N 442.545 1.761 0 40 IDAB COc1ccccc1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](CN(C)C1CCCCC1)CO2 2332242934 CDRUPEPTKLRSNT-SFHVURJKSA-N 436.574 1.968 0 40 IDAB O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8881012 RFTZVBWBMVALDA-IBGZPJMESA-N 429.498 1.450 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3onc4c3CCC4)cc2)CC1 8976412 PEKXNSOBBQMPHM-UHFFFAOYSA-N 448.501 1.878 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)c1 9001072 LDEIFSYNRVRJHR-UHFFFAOYSA-N 447.451 1.657 0 40 IDAB CN(CC(=O)NCc1ccco1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 9253558 SRBDWHNMFNBFAT-QHCPKHFHSA-N 438.484 1.310 0 40 IDAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](C(=O)O)c1ccccc1 9451392 KVVNTIJSPOKMGZ-ZUEVXXBESA-N 427.432 1.625 0 40 IDAB COc1ccc(C(=O)NC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc1 9884931 SQPIMKYYSMLGII-VAWYXSNFSA-N 432.454 1.085 0 40 IDAB CNC(=O)NC(=O)[C@@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccccc1 10759270 FGSJQBIFYRMZQY-ZQWRNJAYSA-N 430.461 1.227 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)OC(=O)C2=COCCO2)ccc1C 11444865 OVYNHUCFUBVMIB-AWEZNQCLSA-N 426.491 1.784 0 40 IDAB CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)OCc1ccccc1 12137556 BNSLAKNBNVDONC-JCZXDDDQSA-N 435.480 1.624 0 40 IDAB COCCN(CCOC)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 12738957 ZJFAMIIWLCHSOF-UHFFFAOYSA-N 448.501 1.392 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 12914877 UOQINDWHEVREES-NSHDSACASA-N 426.878 1.858 0 40 IDAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1 13566665 JJYHGADSABNTPY-ZDUSSCGKSA-N 432.502 1.679 0 40 IDAB Cc1ccnc(SC[C@H](C)Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)n1 16024755 UKWOWWYEEHLAOJ-MRVPVSSYSA-N 425.312 1.713 0 40 IDAB Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@H](c4nc5c(c(=O)[nH]4)CN(C)CC5)C3)c2c1 19221423 ANKXLUMADPDLGT-HNNXBMFYSA-N 437.500 1.380 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCC(C)CC2)c2c(C(N)=O)nc(-c3ccsc3)nc21 19524220 ZGCAGVUBZDJRBL-UHFFFAOYSA-N 428.518 1.699 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(OC)c3)[nH]c(=O)c2C1 19592908 GZNIJIZJDPJXMO-LJQANCHMSA-N 440.500 1.677 0 40 IDAB COCCn1c(SCC(N)=O)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 19630239 NAAISXZSPYGQBG-AWEZNQCLSA-N 439.563 1.070 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C[C@H]3CCCCO3)C1)C2=O 19699589 YCCLEHXIAOHVPH-ZWKOTPCHSA-N 448.564 1.506 0 40 IDAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(S(=O)(=O)c2cnn(C)c2)CCO1 19702823 DRDPXEKCSLJIDC-CQSZACIVSA-N 435.531 1.494 0 40 IDAB CNc1nc([C@H]2CCCCN2C(=O)COCCN2CCCC2=O)nc2c1CN(C)CC2 19710400 FFBFRLKRPRPPTD-GOSISDBHSA-N 430.553 1.199 0 40 IDAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(CCN4CCCC4=O)CC3)C2=O)cc1 20220803 ZTTXUHXFKIMKRN-LJQANCHMSA-N 427.501 1.830 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 22199783 FWPUATVYDSJXFT-UHFFFAOYSA-N 444.557 1.415 0 40 IDAB CNC(=O)CSc1nnc(N2CCN(C(=O)Cc3noc4ccccc34)CC2)s1 23141729 SMCJONAEYQMXTA-UHFFFAOYSA-N 432.531 1.409 0 40 IDAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1F 25052529 BRTNMIXKFLXCFA-QFIPXVFZSA-N 427.432 1.989 0 40 IDAB COC(=O)c1sccc1NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 25088549 OCUSTMPEEVGPAB-UHFFFAOYSA-N 433.515 1.954 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(N)=O)c(Cl)c3)C2=O)o1 33777246 DDXWCTQAXBCMGP-QPEQYQDCSA-N 433.804 1.677 0 40 IDAB CC(C)[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1nc(-c2cccnc2)no1 58245585 KTGOJGKJTDBBKL-OAHLLOKOSA-N 442.457 1.337 0 40 IDAB O=C(NCC1(N2CCOCC2)CCCCC1)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 71890335 AMOQLRZXMFNKAU-UHFFFAOYSA-N 446.533 1.146 0 40 IDAB COc1ccc(S(=O)(=O)N2CCSC[C@@H]2S(C)(=O)=O)cc1Br 78932606 VLALNNIMEURURO-LBPRGKRZSA-N 430.367 1.566 0 40 IDAB C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@@H](C)N1CCOCC1 79069543 LLFGYPFXQRQGRW-UONOGXRCSA-N 433.368 1.696 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](Cn4ccnn4)C3)cc2)C[C@@H](C)O1 89936759 YNHHHLZSARFIDF-KSZLIROESA-N 447.561 1.628 0 40 IDAB NC1=C2C(=O)Oc3cc(O)ccc3[C@@H]2[C@@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]2S1 101411431 LBTMGQXXYSQZIH-YCPHGPKFSA-N 438.417 1.568 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 104894865 GOHXUCSULUQICZ-LJQANCHMSA-N 444.619 1.710 0 40 IDAB COc1ccc(OC)c(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)c1 216438671 ALINRKSEBYZJMD-UHFFFAOYSA-N 444.513 1.972 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)ccc1OC 222902261 VVNJPOJWEQZNJS-UHFFFAOYSA-N 447.542 1.911 0 40 IDAB CN(c1cccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c1)S(C)(=O)=O 223305738 JFPXHGIBCXSMNL-UHFFFAOYSA-N 443.522 1.622 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)Cc2ccccc2)c1 225938694 ODUHIIGCNSRABO-UHFFFAOYSA-N 445.585 1.943 0 40 IDAB O=C(c1ccc(OCCN2CCCCC2)cc1)N1C[C@H](O)[C@@H](n2cc(F)c(O)nc2=O)C1 257329528 XKIKXSNVXYSCJQ-OALUTQOASA-N 446.479 1.011 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CN(C(=O)CN3CCCC3)CCO2)n1 257334590 YGPBMTOBZSLAGG-IBGZPJMESA-N 438.532 1.304 0 40 IDAB O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1cncc(Br)c1 575605843 NHGZTILVHQAELO-UHFFFAOYSA-N 448.325 1.396 0 40 IDAB O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCCc2ccc3c(c2)OCO3)C1 585285253 PTYJAZUOUCGCQX-JTHBVZDNSA-N 446.931 1.768 0 40 IDAB Cc1nc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c2c3c(sc2n1)CCCC3 3294482 ADZMWJUSAGBKHI-UHFFFAOYSA-N 431.543 1.833 0 40 IDAB COc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCOCC1 9315479 BJBRWWUANRGQHW-CQSZACIVSA-N 440.518 1.320 0 40 IDAB COCCNc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)s1 9376427 QMPRTTIEHJQKQQ-UHFFFAOYSA-N 435.453 1.861 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccccc1N1CCCC1=O 9502907 ODRAYCSTQDCCIF-QHCPKHFHSA-N 434.452 1.982 0 40 IDAB Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1CCOCCO 10233376 RSKMRSAHYNTSPG-UHFFFAOYSA-N 425.489 1.100 0 40 IDAB O=S(=O)(c1cccc(CSc2nnnn2C[C@@H]2CCCO2)c1)N1CCOCC1 14200569 SFTQMANPOXOYLL-HNNXBMFYSA-N 425.536 1.165 0 40 IDAB COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCCc2cccs2)cc1C 15885412 POMJDNSJDWHSKX-SJLPKXTDSA-N 429.585 1.837 0 40 IDAB O=C(COc1ccccc1)NCC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 16050532 AUOGAXCJLQHOJM-UHFFFAOYSA-N 443.481 1.892 0 40 IDAB COCCN1CCN(C(=O)c2cn(CCOC)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 16839166 QBCGRPKZJGXIDX-UHFFFAOYSA-N 439.516 1.189 0 40 IDAB Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc1C 21604201 PTECKZRNEFZCFY-INMHGKMJSA-N 426.535 1.274 0 40 IDAB O=C(C(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1)c1c[nH]c2ccccc12 23134447 KHFZJFMZXSODKV-UHFFFAOYSA-N 433.447 1.810 0 40 IDAB C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35365993 XKLVJEDXEYQMDS-WEHAHSKFSA-N 432.480 1.434 0 40 IDAB biogenic NC(=O)C1CCN(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)CC1 36365617 NSZZWVTVDCACEW-UHFFFAOYSA-N 432.527 1.915 0 40 IDAB C[C@@H](Oc1ccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cn1)c1ccccc1 48237905 VZNLLDBHYYUKEK-QAPCUYQASA-N 431.514 1.645 0 40 IDAB NC(=O)C1(N2CCCCC2)CCN(c2ncc(C(=O)NCc3ccccc3)c(N)n2)CC1 67336440 FELPDQRFEKXZFO-UHFFFAOYSA-N 437.548 1.299 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCCOc1ccc(F)cc1 83967439 AKLGWJFOMCMJFT-AWEZNQCLSA-N 437.493 1.567 0 40 IDAB O=C(N[C@@H](CO)c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 95476399 RMNFUWQGSZPCEF-RDJZCZTQSA-N 446.554 1.942 0 40 IDAB COC(=O)c1cc(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)n(-c2ccccc2)n1 95987326 WGUDLTNIDWVUKI-UHFFFAOYSA-N 448.483 1.694 0 40 IDAB Cn1cnnc1S(=O)(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 96099664 KJCZPXWXBSUMNC-UHFFFAOYSA-N 439.346 1.749 0 40 IDAB CCn1c(C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)nn(CCOC)c1=O 96119166 JGYQGERRHLDILJ-UHFFFAOYSA-N 442.513 1.427 0 40 IDAB O=S1(=O)CC[C@@H](NC2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)C1 97163882 HZYCZRZGJWALAV-CYBMUJFWSA-N 442.481 1.515 0 40 IDAB O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccco1)[C@@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(Cc4ccco4)C(=O)[C@@H]3[C@H]12 100088172 WSVQHUCRCMDNNU-ULYUHDRCSA-N 432.432 1.837 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)cc1 100724614 DKDZIFHFMZASMF-KSSFIOAISA-N 441.513 1.613 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)c1 222903711 NYYDKJGZLVDSKA-UHFFFAOYSA-N 427.504 1.072 0 40 IDAB Cc1nonc1CNC(=O)[C@@H]1CN(C(=O)Cc2c(C)[nH]c3ccc(F)cc23)CCN1C 257250943 JOQWUANLACCGLO-IBGZPJMESA-N 428.468 1.308 0 40 IDAB CN(c1cccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1)S(C)(=O)=O 408681914 VZXIYVZUSZLNTQ-UHFFFAOYSA-N 447.485 1.765 0 40 IDAB Cc1ccc(Cl)cc1S(=O)(=O)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 575426622 XBCARADETODUPP-KBPBESRZSA-N 441.980 1.013 0 40 IDAB C[C@@H](C(=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)n1nc(C2CC2)ccc1=O 575621615 ZSAJUOMEPVUGJG-AWEZNQCLSA-N 437.500 1.576 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cccc(F)c3F)C2)CC1 585287570 OPSSPZASFLTDSH-UWJYYQICSA-N 444.475 1.125 0 40 IDAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)N1CCCN(C)CC1)C2 643575076 FOAMCHBXZUIZKS-UHFFFAOYSA-N 446.592 1.730 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)OC(=O)N(C(C)(C)C)C3=O)cc1 1889070796 ZTGWZCRIZZCQAZ-UHFFFAOYSA-N 437.518 1.689 0 40 IDAB O=C(c1cccc(Cl)n1)N1CCC2(CC1)O[C@H](C(=O)N1CCOCC1)Cn1ccnc12 2055794519 YBBYYDMPYYGEQV-INIZCTEOSA-N 445.907 1.321 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1ccco1 2237520 DKBOEFCISTZZHZ-KRWDZBQOSA-N 438.293 1.398 0 40 IDAB Cc1cc(NC(=O)COC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)no1 2637273 KSEFWQCVGDIYDZ-UHFFFAOYSA-N 435.380 1.852 0 40 IDAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O 3368797 NFNYFFSBOBLPGG-UHFFFAOYSA-N 443.378 1.724 0 40 IDAB CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCC[C@@H]1C(N)=O 4375668 NQZYVZPEQQKCLY-BZUAXINKSA-N 426.558 1.543 0 40 IDAB Cc1cccc(C(=O)NCCC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 8938881 URPDCQQGMFDWMU-UHFFFAOYSA-N 449.504 1.914 0 40 IDAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 9612745 SELZGYNAWXYKMM-MQQKCMAXSA-N 428.894 1.975 0 40 IDAB COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 9806052 IFVBOJCHTVENCB-KRWDZBQOSA-N 431.514 1.281 0 40 IDAB CN(C)S(=O)(=O)c1cccc(COC(=O)c2sccc2S(=O)(=O)NC2CC2)c1 10564852 AHSMWLAZUURNME-UHFFFAOYSA-N 444.556 1.796 0 40 IDAB CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)c1 12030686 TYADTIDXRDSWDA-SFHVURJKSA-N 436.511 1.858 0 40 IDAB CS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)cc1 12142332 FLQHZWYSSUEIKX-UHFFFAOYSA-N 449.554 1.355 0 40 IDAB COc1cccc(COc2cn(C)c(C(=O)N3CCN(c4ncccn4)CC3)cc2=O)c1 12167428 IYFLFDSPKQXDIU-UHFFFAOYSA-N 435.484 1.725 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COc3ccccc3C=O)CC2)c1 12901503 IYQAULXNLXKKRY-UHFFFAOYSA-N 448.497 1.428 0 40 IDAB COCCn1cnc2c1c(=O)n(CC(=O)Nc1ccc(F)c(F)c1)c(=O)n2CC(C)C 13058338 YSALMKKAQPDNID-UHFFFAOYSA-N 435.431 1.579 0 40 IDAB C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)NCc1ccc2c(c1)OCO2 13127963 KQYXZMUAFZESOO-WCQYABFASA-N 439.515 1.573 0 40 IDAB Cc1ccc(NC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 13601359 OLHUJENEXXJPSZ-UHFFFAOYSA-N 444.557 1.365 0 40 IDAB COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1C(=O)N1CCOCC1 13646262 QVAVMXBAGJCZMV-UHFFFAOYSA-N 425.551 1.322 0 40 IDAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N1 14608534 AYFSFFPYPRRPQS-SFHVURJKSA-N 425.464 1.840 0 40 IDAB Cc1ncc2c(n1)[C@@]1(CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C1)OCC2 19287436 XSNGTBPIHRLGGK-FQEVSTJZSA-N 430.486 1.483 0 40 IDAB COc1ccc([C@H]2C[C@@H](NC(=O)CN3CCOCC3)CC[C@]23CCC(=O)N3)cc1OC 19742206 NEAVAVNQRBUPSM-IXFSTUDKSA-N 431.533 1.437 0 40 IDAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1C(=O)c1ccccc1 22789232 DYRKBIJPAQCEHL-LJQANCHMSA-N 441.553 1.661 0 40 IDAB CCOc1cc2c(cc1NC(=O)CN1CCN(CC(=O)N3CCCCC3)CC1)O[C@H](C)C2 22849486 JHUJIYCHPVGLOA-GOSISDBHSA-N 444.576 1.977 0 40 IDAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C[C@@H](C)O1 23113490 WCBJNPWTDHKEBU-HDICACEKSA-N 428.533 1.940 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(Cl)c2)c1=O 32958174 IZKGDFHICXVIHY-UHFFFAOYSA-N 435.912 1.521 0 40 IDAB C[C@@]1(c2cccc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)c2)NC(=O)NC1=O 40111194 TULLARGKWHFAIF-FQEVSTJZSA-N 427.461 1.325 0 40 IDAB O=C(Cn1nnn(-c2ccc(NC(=O)C(=O)c3c[nH]c4ccccc34)cc2)c1=O)NC1CC1 77100232 UAEKHXHLUDRUDG-UHFFFAOYSA-N 445.439 1.010 0 40 IDAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223406425 IUMYHKDWYFVQPG-ZCNNSNEGSA-N 441.528 1.890 0 40 IDAB Cc1cccc(-c2noc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)c1 225564801 AUTFBFCYYQCWBZ-UHFFFAOYSA-N 442.497 1.996 0 40 IDAB Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CCCC4)[C@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@H]2O4)no1 245227369 KSBRUNIMBIHUGB-OHFLSGFYSA-N 442.516 1.929 0 40 IDAB CC(C)c1nc2ccccc2n1CCCC(=O)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257284089 PBEOQDFRKQCOLQ-KKLQWCBXSA-N 441.576 1.770 0 40 IDAB Cc1cn([C@@H]2CN(C(=O)CCCc3nc4cc(F)ccc4[nH]3)CC[C@@]2(C)O)c(O)nc1=O 257305960 SSGFUPHSQNLGQB-VGOFRKELSA-N 443.479 1.820 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 575421992 LKRHTUZIKHFRAJ-INIZCTEOSA-N 438.527 1.721 0 40 IDAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc2c(c1)nc(C)n2CCO 1848353705 BLUTYHYCVHCDAN-QFIPXVFZSA-N 435.528 1.410 0 40 IDAB CCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 1157589 SCTSXRAQMFCZOR-FSNCLGKMSA-N 443.408 1.129 0 40 IDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3395165 IMIXJFGCWUSEQR-UHFFFAOYSA-N 445.925 1.906 0 40 IDAB CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccco3)cc2)CC1 6023695 BMXCIHGNNALWPZ-CMDGGOBGSA-N 434.543 1.888 0 40 IDAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O 8223590 ASEJKUMLGDVDPZ-UHFFFAOYSA-N 427.505 1.834 0 40 IDAB COc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)c(OC)c1 8848904 JRAWBKQACDSPGM-UHFFFAOYSA-N 441.419 1.352 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2)cc1 9245437 NKCOVMZQBGPUHI-UHFFFAOYSA-N 445.541 1.923 0 40 IDAB COc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC 9562010 LOIUBMIAEMSGJP-UHFFFAOYSA-N 428.397 1.191 0 40 IDAB CCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)[C@H]1CCS(=O)(=O)C1 9562260 OHOYKPAHDFYDQV-LBPRGKRZSA-N 425.488 1.593 0 40 IDAB O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCN(C(=O)c2ccco2)CC1 9591129 SWVIHMCPBGZAAM-QGZVFWFLSA-N 447.513 1.335 0 40 IDAB CN(CC(=O)NCc1ccco1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 9765861 RKPWOUZVEAJBRB-QGZVFWFLSA-N 435.502 1.125 0 40 IDAB CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 11603603 YHZMLQWSORROAW-UHFFFAOYSA-N 431.470 1.746 0 40 IDAB Cc1c(CN2CCC[C@@H](n3nnc4cc(C(F)(F)F)ccc43)C2)c(=O)n(C)c(=O)n1C 12184987 XPEVEGQBZFAZON-CQSZACIVSA-N 436.438 1.993 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)c(C)c1 12852168 HKTUFPGRROCQCQ-IBGZPJMESA-N 428.510 1.918 0 40 IDAB O=C(CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Nc1ccc2c(c1)OCO2 13117609 FRTFGNVEVLMZAK-HXUWFJFHSA-N 425.441 1.338 0 40 IDAB COC(=O)C1CCN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1 13646108 GMRINAZOTDOWTA-UHFFFAOYSA-N 433.324 1.627 0 40 IDAB O=C(Nn1cnc2ccccc2c1=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 14044072 VXLLGHQDEBFNSE-HNNXBMFYSA-N 428.470 1.238 0 40 IDAB C[C@H]1CN(C(=O)Cn2nc3c(cc2=O)CCc2nc(N4CCCCC4)ncc2-3)C[C@@H](C)O1 19497254 SABMGUMEGTXFCG-IYBDPMFKSA-N 438.532 1.425 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCN(C(=O)CC4CCCCC4)C3)[nH]c(=O)c2C1 19572678 MGRQFIKTQKLHMM-INIZCTEOSA-N 436.578 1.764 0 40 IDAB CC1CCN(CC(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)CC1 19702947 DVWRPMOUUSMIJE-QGZVFWFLSA-N 446.573 1.650 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)CC1 22310659 YXSQEGDPOSUECD-MRXNPFEDSA-N 448.545 1.102 0 40 IDAB CCCN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)[C@@H]1CCS(=O)(=O)C1 22357448 QRFONIGCPOWEQZ-CYBMUJFWSA-N 443.572 1.337 0 40 IDAB Cc1ccc([C@H](CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)N2CCOCC2)o1 25399438 RNLPYISTLUMYIW-INIZCTEOSA-N 441.575 1.545 0 40 IDAB NC(=O)CCn1c(SCC(=O)NCCc2ccc3c(c2)OCCO3)nnc1C1CC1 25450254 DLRGDVBDDNUSNU-UHFFFAOYSA-N 431.518 1.253 0 40 IDAB CCn1c(N2CCN(C(=O)COc3ccccc3F)CC2)nc2c(C)nn(C)c2c1=O 28559048 WKFPKHWZMQBODX-UHFFFAOYSA-N 428.468 1.325 0 40 IDAB Cn1c(=O)c2ccc(C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)nc2n(C)c1=O 48287217 UMMXMXYUDCZINC-UHFFFAOYSA-N 427.848 1.665 0 40 IDAB Cc1cc(Br)cc(C(=O)O)c1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 78808895 UXDUZHRNJGHRCC-UHFFFAOYSA-N 449.304 1.904 0 40 IDAB Cc1ccc2nc(COC(=O)[C@H]3CSCN3S(=O)(=O)c3ccccc3)cc(=O)n2c1 97124695 QQQKZADRFYLEDX-QGZVFWFLSA-N 445.522 1.810 0 40 IDAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCCSc3ncn[nH]3)cc2)CC1 222752945 JFCPQAQUCHSHHR-UHFFFAOYSA-N 439.563 1.513 0 40 IDAB CN1CCN([C@H]2CC[C@](CNC(=O)[C@H]3CCCN(C)C3)(c3ccccc3)CC[C@@H]2O)CC1 257277216 NWXNCKHJLZEZIC-KYFHRZRWSA-N 442.648 1.933 0 40 IDAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)NCCOC)C2=O)ccc1OCC(=O)O 409213575 SGGOHHLNZWFKPY-DHDCSXOGSA-N 438.458 1.348 0 40 IDAB O=C(NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1n[nH]c2c1COc1ccccc1-2 524730582 OBBGAEJNJUYPTP-CVEARBPZSA-N 431.496 1.980 0 40 IDAB biogenic Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c(C)c3cc12 2154813 GFAJISOGABINRS-HNNXBMFYSA-N 429.429 1.716 0 40 IDAB biogenic Cc1cccc(OC[C@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 4386225 IRZILJYKBXLHDR-MRXNPFEDSA-N 427.505 1.172 0 40 IDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 9003985 MKPJNGMDBJGRSW-MRXNPFEDSA-N 436.493 1.614 0 40 IDAB Cn1cnc2c1c(=O)n(CCCSc1nnc(NC[C@H]3CCCO3)s1)c(=O)n2C 9338106 VEMLTBUFCLURLM-LLVKDONJSA-N 437.551 1.059 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 9340711 TULQCYHCUUMIQZ-MRXNPFEDSA-N 429.926 1.794 0 40 IDAB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1[C@H]1CCS(=O)(=O)C1 9952421 NAPBNODFUIMMLA-GJZGRUSLSA-N 439.563 1.605 0 40 IDAB Cn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 10385562 CZDBSRIHMOMBIM-UHFFFAOYSA-N 430.512 1.809 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 10783353 WYSWNMQCOWDNMZ-INIZCTEOSA-N 445.541 1.783 0 40 IDAB CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)CC(=O)c2cc(C)ccc2O3)CC1 12086728 BMTHXQMLYWKMID-BXKMTCNYSA-N 441.528 1.791 0 40 IDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1 12222486 NNTFPSUGPUATCT-INIZCTEOSA-N 444.513 1.150 0 40 IDAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(CC(=O)N(C)C)CC3)c2)cc1 12557235 GXQBZTGGOREMRF-UHFFFAOYSA-N 444.557 1.642 0 40 IDAB CCOc1ccc2nc(NC(=O)CCCn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1 12603575 FKWRWNUMTXAELM-UHFFFAOYSA-N 442.501 1.861 0 40 IDAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12768524 FNCICWNERAGUGZ-QGZVFWFLSA-N 431.514 1.834 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(c2ncccn2)CC1 13041204 HRWARGJZYHUSIQ-UHFFFAOYSA-N 429.546 1.922 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 13137966 KWFREQSBZOEWKC-OAQYLSRUSA-N 449.548 1.944 0 40 IDAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)N2C[C@H](C)O[C@H](C)C2)c2ccccc21 13298197 LPYBLNYDMNBRHZ-CALCHBBNSA-N 449.573 1.919 0 40 IDAB CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21 14242115 RVWOMTDPRBKNKK-CQSZACIVSA-N 443.481 1.888 0 40 IDAB CCc1cccc2c1NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 16033017 XJBNWBJVVISKKM-WKVINZIJSA-N 446.507 1.088 0 40 IDAB biogenic C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCN(c2ncccn2)CC1 17299821 BGRWAEXPVCIZNV-ZDUSSCGKSA-N 443.451 1.511 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)NC(=O)NC1 18273805 JGZHSLQDDKCJPS-UHFFFAOYSA-N 430.244 1.396 0 40 IDAB Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1 18825339 CTNPALGJUAXMMC-LTKMBJGESA-N 442.491 1.686 0 40 IDAB CCN(C(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 19797421 ZZDVTAKKISVMNO-HNNXBMFYSA-N 428.532 1.038 0 40 IDAB COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCOCC3)c(=O)[nH]c2c1 19940421 ZJAZJENZXBKVMH-APWZRJJASA-N 426.477 1.124 0 40 IDAB O=C(CCCCCCCCC(=O)OCCN1CCOCC1)OCCN1CCOCC1 20790464 SNTQGLKXEGNQEW-UHFFFAOYSA-N 428.570 1.858 0 40 IDAB O=C(CN1CCN(CCOc2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 22797906 ZEFNGJYYJRVGJM-UHFFFAOYSA-N 426.473 1.760 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(N3CCCCC3)nc2)cc1 25064818 RNRMUJDNIBOXPS-UHFFFAOYSA-N 445.545 1.414 0 40 IDAB O=C(Nc1nnc([C@@H]2CCCO2)s1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 44891444 NKPZWJMVXKFCLE-HOTGVXAUSA-N 431.518 1.981 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 44901649 BTJUQZFVFLRTEC-QGZVFWFLSA-N 448.453 1.426 0 40 IDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(Cn2cccnc2=O)c1 48325837 YHRWDAYPAHNUFK-UHFFFAOYSA-N 438.488 1.668 0 40 IDAB C[C@@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)CN1CCOCC1 72306615 UEMJKBZVKVZLFW-IFXJQAMLSA-N 440.338 1.001 0 40 IDAB Cc1nc(N2CCC[C@H](NC(=O)c3cc(CN4CCOCC4)oc3C)C2)[nH]c(=O)c1C 72342123 GGSHKTOQLVKDLN-KRWDZBQOSA-N 429.521 1.519 0 40 IDAB CC1(C)NC(=O)N(CCC(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3ccccc3)cc2)C1=O 72351385 KGMJJTBUPAVXPN-FQEVSTJZSA-N 448.523 1.944 0 40 IDAB CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 95451537 ITVWJGGLNUDEFC-AWEZNQCLSA-N 440.543 1.424 0 40 IDAB COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)s1 95461809 FRCHXCWDHFUCKZ-UHFFFAOYSA-N 440.499 1.396 0 40 IDAB Cc1ccccc1Nc1nc(N)nc(COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)n1 102129301 RMTTWKSDGGLKPL-GJZGRUSLSA-N 436.472 1.890 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3ncn[nH]3)CC2)cc1 222575534 OIMIVGPSKZXZLV-UHFFFAOYSA-N 439.563 1.513 0 40 IDAB Cc1ncoc1C(=O)N1CCc2nc3n(c(=O)c2C1)CC[C@@]31CCN(C(=O)NC(C)C)C1 306129229 HXZMINJFVAXUKL-JOCHJYFZSA-N 440.504 1.203 0 40 IDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1 408588204 CXBLOROYQVXFJN-OAHLLOKOSA-N 448.497 1.900 0 40 IDAB Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)cc2)c1 408614751 HGWSNKNGJJZGRY-DLBZAZTESA-N 425.485 1.862 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2C(=O)OC)CC1 535361383 USIIELKOSYYRDI-UHFFFAOYSA-N 444.481 1.035 0 40 IDAB CC(C)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C 932552 QIQLONCHSZUNGL-UHFFFAOYSA-N 431.474 1.474 0 40 IDAB COC(=O)C1CCN(C(=O)CSc2nnc(COc3ccc(OC)cc3)n2N)CC1 3313317 MKQJWCRPFXTMJY-UHFFFAOYSA-N 435.506 1.083 0 40 IDAB CCOc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 3341455 ARWJUQRYIPOADG-UHFFFAOYSA-N 448.497 1.902 0 40 IDAB COCCn1c(=O)c2c(nc3n2CCCN3c2ccc(Br)cc2)n(C)c1=O 8710213 TURDJGGECJTROY-UHFFFAOYSA-N 434.294 1.847 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccc(F)cc1 9477234 FABFWRPBJOPIJF-IRXDYDNUSA-N 426.452 1.144 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)CC1 9599793 AHQLWEBMCWXDCA-UHFFFAOYSA-N 427.490 1.579 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 9744261 PTESZMAJJORWNU-IRXDYDNUSA-N 441.525 1.170 0 40 IDAB CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)O 9791492 UJYYIICGCLGEOJ-ZENOOKHLSA-N 430.548 1.421 0 40 IDAB NC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21 9805937 NSUXFXSYJQVYLQ-SXGWCWSVSA-N 428.470 1.022 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12 10914342 HYBRUBOYWUGSRC-UHFFFAOYSA-N 426.404 1.245 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)NC(=O)NC1 12974063 HSEFZZVNDLPNNL-GFCCVEGCSA-N 433.486 1.435 0 40 IDAB O=C(CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1)Nc1c[nH]c(=O)[nH]c1=O 13150652 HVHXUDDCFYNOGM-UHFFFAOYSA-N 435.469 1.800 0 40 IDAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(=O)OC)c1=O 13533259 LKENKIJXVWFOBB-UHFFFAOYSA-N 431.470 1.687 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 13573949 NAKPFXYKFPBXHW-FBKCMUNRSA-N 438.527 1.767 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)CC1 14167995 KHDKHGQUGMWTKP-UHFFFAOYSA-N 446.529 1.561 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 15312306 YBYWJVFPNSBZMB-UHFFFAOYSA-N 443.522 1.644 0 40 IDAB O=C(Nc1nc(CCC(=O)N2CCN(c3ncccn3)CC2)cs1)c1ccc[nH]c1=O 16851194 RJFAQSHNGDKUSA-UHFFFAOYSA-N 439.501 1.155 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CN1Cc1ccccc1 17052290 CXHOTZDXOWKVBL-LJQANCHMSA-N 427.526 1.568 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 22548565 YLZDPOOBGGOTIN-UHFFFAOYSA-N 448.383 1.925 0 40 IDAB C[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 24751705 AWRMSZORVRJMMV-LBPRGKRZSA-N 444.351 1.197 0 40 IDAB O=C(c1ccc(-c2nnn[nH]2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 25591400 DPSHKFMYZQQCKT-UHFFFAOYSA-N 438.513 1.502 0 40 IDAB COc1ccc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)cc1OC 45970412 GBOQXQMAOWCDTJ-UHFFFAOYSA-N 431.474 1.346 0 40 IDAB NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(c3ccccn3)CC2)c1 68955902 QQXXQOYWSUHVSM-UHFFFAOYSA-N 425.308 1.454 0 40 IDAB O=C(c1cc2c(nc3sccn32)s1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 78933981 OOLCNADXTRZOJN-UHFFFAOYSA-N 437.528 1.886 0 40 IDAB CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2ccc(S(N)(=O)=O)c(F)c2)n1 97163016 AFVJKUWHAXBOPW-LBPRGKRZSA-N 428.442 1.832 0 40 IDAB COc1ccccc1NC(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O 98213175 CWPVUFBWUVJRCT-UHFFFAOYSA-N 425.420 1.487 0 40 IDAB COc1cc(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc(OC)c1OC 219668219 IPTUAQAVBRKDBJ-UHFFFAOYSA-N 434.470 1.563 0 40 IDAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-n2cnnc2)c1C 223681127 ZAEPSYUKILSABO-RBUKOAKNSA-N 425.518 1.938 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCSc1nc(C)n[nH]1 226065886 KZSRVIMCMOLAJV-UHFFFAOYSA-N 433.943 1.304 0 40 IDAB C[C@H](C(=O)O)N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C[C@H]2[C@H]2Sc3[nH]c(=O)sc3[C@H](c3ccco3)[C@H]12 253618433 KZQAKQMIKBMOJN-BZUJYFQSSA-N 446.506 1.976 0 40 IDAB NCCCOc1ccc(C(=O)N[C@H]2CCCC[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O)cc1 257237260 HFTXEEHUODAHEC-YQVWRLOYSA-N 439.520 1.411 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1C 575423642 PHQXHJGNNNJKNI-IBGZPJMESA-N 444.619 1.512 0 40 IDAB COc1ccc(CCNC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1OC 585291204 LQCNMEBXCQLTLY-VWNXMTODSA-N 428.529 1.403 0 40 IDAB O=C(N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cc(Br)cc2nc(O)[nH]c12 1597594532 FTQKCAUGYLYUOJ-MGPLVRAMSA-N 444.307 1.497 0 40 IDAB Cc1c(OCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)ccc2c3c(c(=O)oc12)CCC3 2158497 LSYQLRVEPUYRLI-IBGZPJMESA-N 430.457 1.311 0 40 IDAB biogenic CCOC(=O)COc1c(I)cc(/C=C2\NC(=O)NC2=O)cc1OC 2992591 DRESWGYYJKKFQP-YHYXMXQVSA-N 446.197 1.422 0 40 IDAB Cc1ccc(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)cc1 3273631 YHFYXIRUWAXQFG-SCLBCKFNSA-N 440.905 1.858 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(OC)c2)cc1 9806749 HAZGOSABZCKFTR-INIZCTEOSA-N 447.513 1.612 0 40 IDAB Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1CCOCCO 10233644 RNTHFFAFPRPARC-UHFFFAOYSA-N 445.907 1.477 0 40 IDAB COc1cc(NC(=O)[C@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc(OC)c1OC 12322813 YHPFXZBAQLXLDT-LBPRGKRZSA-N 440.456 1.635 0 40 IDAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(c3ccccn3)CC2)c1 12529020 ZZHGDKJYLRVRFX-UHFFFAOYSA-N 437.953 1.746 0 40 IDAB C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C[C@@H](C)O1 13133278 RILZXQYWXZEAHV-OKILXGFUSA-N 431.924 1.745 0 40 IDAB CCc1ccc2c(c1)[C@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15968079 QYGAWXRFFNIKCQ-MASGSYHESA-N 446.507 1.088 0 40 IDAB biogenic C[C@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 18813077 KASOSUDXGITZSA-AAEUAGOBSA-N 444.893 1.215 0 40 IDAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)C[C@@H]3SC(=O)N(C)C3=O)CC1)O2 19586825 BHGKSZLEYODHRT-HNNXBMFYSA-N 433.486 1.263 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)CN2CCOCC2)n1 19689385 FPVDVDOPBNLSPN-LJQANCHMSA-N 438.532 1.304 0 40 IDAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1 21704405 VQJJOSVOXAOVAH-UHFFFAOYSA-N 439.856 1.511 0 40 IDAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)NCCCN1CCOCC1 22401868 ADAVXASPUSSTPA-UHFFFAOYSA-N 441.550 1.921 0 40 IDAB O=S(=O)(NCc1ccnc(-n2cccn2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 26838336 QJWTYZLEVOMUTF-UHFFFAOYSA-N 428.442 1.742 0 40 IDAB COC(=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccs1 36754654 AWDFNLMEHHICQI-INIZCTEOSA-N 437.543 1.964 0 40 IDAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCN(C)CC3)CC2)cc1 44847480 AZWZYWBWEMZJKI-UHFFFAOYSA-N 436.622 1.291 0 40 IDAB C[C@H]1CN(C(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)C[C@H](C)O1 56949936 WBADWPJAUKPTHN-OALUTQOASA-N 441.528 1.977 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3)CC2=O)cc1 57416718 XBRXLHQEXSIVPO-SFHVURJKSA-N 435.480 1.488 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)CC1 85418995 PUBGQMMCPHQVAW-KGYLXKDPSA-N 441.484 1.282 0 40 IDAB COc1ccc(CC(=O)NCc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCOCC1 95425093 PAQMWFYUYTWZCJ-UHFFFAOYSA-N 448.497 1.273 0 40 IDAB COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 95976441 HVMJYAMZRJZRAJ-SFHVURJKSA-N 449.533 1.042 0 40 IDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4cccc(OC)c4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143719 FSHOADRDOYPNEO-PGRDOPGGSA-N 449.573 1.335 0 40 IDAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)cc1 138940174 MFDSFZKEDLOIML-GOSISDBHSA-N 437.452 1.873 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)CC2=O)cc1C 206904528 HRNSHRAWUZISIR-GOSISDBHSA-N 446.515 1.376 0 40 IDAB CC[C@@H](C(=O)NCCCN1CCOCC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222508636 GOMSFWYZQVWNIU-KRWDZBQOSA-N 435.949 1.862 0 40 IDAB Cc1n[nH]c(SCCNC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)n1 222845186 ITIFBUJVMPSXFF-UHFFFAOYSA-N 425.580 1.889 0 40 IDAB CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 245229605 BSGYUIALRLVCSU-PHGOAHNDSA-N 437.540 1.921 0 40 IDAB CC(=O)NCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 257283725 OZPVZPZJTUZYEO-LPHOPBHVSA-N 437.924 1.321 0 40 IDAB NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)CC1 409392204 QCAPVRBXEAWVSH-UHFFFAOYSA-N 429.926 1.227 0 40 IDAB CN1c2cc(F)c(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)cc2N(C)S1(=O)=O 575613114 PMEVBAOKESQDHQ-UHFFFAOYSA-N 440.478 1.642 0 40 IDAB Cc1nc(CCNC(=O)C[C@@H]2OC[C@H]3CN(c4cc(C(F)(F)F)ncn4)CC[C@@H]23)no1 585109636 YBXQBYRYUOIMTL-MCIONIFRSA-N 440.426 1.777 0 40 IDAB COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c1 585269798 KDUMQNVLMNQFPO-HXUWFJFHSA-N 444.528 1.805 0 40 IDAB CCn1nc(C)c(S(=O)(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)c1C 1565523772 VFDJKUMSEARGRB-UHFFFAOYSA-N 444.565 1.734 0 40 IDAB Cc1nc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)c2cnn(C)c2n1 1888994466 MZDIXXSNZIXJQA-UHFFFAOYSA-N 425.518 1.721 0 40 IDAB O=C(c1cc(C2CC2)on1)N1CCC2(CC1)O[C@H](C(=O)N1CCOCC1)Cn1ccnc12 2055795725 LOASUECQPDFUPF-SFHVURJKSA-N 441.488 1.138 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccco2)c(C)c1 3017183 DNEKKFGTLOUOPM-GOSISDBHSA-N 449.529 1.375 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2nnc(COc3ccccc3F)n2N)CC1 9254585 MOCSFWCZQNOQHO-UHFFFAOYSA-N 438.485 1.103 0 40 IDAB O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 9411042 PUXFPLRVXWGJOT-UHFFFAOYSA-N 442.541 1.926 0 40 IDAB Cc1nn(Cn2nnc3ccccc3c2=O)c(C)c1S(=O)(=O)N(C)Cc1ccco1 12769918 ANWIPRIYYMJARY-UHFFFAOYSA-N 428.474 1.524 0 40 IDAB Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(Br)c1 12776112 CVSMRHRQVYMOJH-UHFFFAOYSA-N 428.308 1.808 0 40 IDAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 13513685 DVYIPXPDIFRZMK-MDZRGWNJSA-N 432.550 1.758 0 40 IDAB Cc1cc(N2CCN(CC(=O)NCC(=O)Nc3ccc(F)cc3)CC2)nc(C(C)C)n1 15032835 BFANAGDZHVABOU-UHFFFAOYSA-N 428.512 1.924 0 40 IDAB CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 15553966 HNUUNEVRNOLQGM-UHFFFAOYSA-N 439.875 1.270 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCO3)c1 17301849 HJIMVVDTVRYFMQ-UHFFFAOYSA-N 433.486 1.814 0 40 IDAB COC(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 18194607 MFRCCYRODMITKS-UHFFFAOYSA-N 432.498 1.526 0 40 IDAB COc1ccc(CN2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 19555216 ROFOTPLDXVRYBM-INIZCTEOSA-N 432.546 1.476 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c(=O)c2C1 19592887 LEYXCXQQCICYPK-IBGZPJMESA-N 442.491 1.736 0 40 IDAB Cc1nn(C)cc1[C@H](C)NC(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O 19750319 WUTZGDHFCRFHEX-AWEZNQCLSA-N 425.464 1.837 0 40 IDAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 19909005 SOEMDSGGDQGFCC-FQEVSTJZSA-N 447.557 1.700 0 40 IDAB O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 22200633 ZJJBPIXRNNCRBZ-UHFFFAOYSA-N 431.356 1.723 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3F)CC2)C[C@H](C)O1 26193065 PZGJPQWJNSCNRW-HOTGVXAUSA-N 428.530 1.126 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O[C@H](C(N)=O)c3ccccc3)C2)cc1 34890539 HRBPMHDJFSGOPA-LPHOPBHVSA-N 432.498 1.866 0 40 IDAB COc1ccc(CN2C[C@@]34CN(C(=O)c5cccnc5)C[C@@H](C[C@@H]3S2(=O)=O)O4)cc1 96145959 VOHONQOWOLBNKG-DYXWJJEUSA-N 429.498 1.288 0 40 IDAB CCc1ccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)NCc4cnc(C)cn4)=NO3)C2)cc1 96225957 FUVFAISCSVFQLU-OAQYLSRUSA-N 443.529 1.573 0 40 IDAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1Cc1ccco1)[C@H]1[C@H]2C(=O)N(Cc4ccco4)C(=O)[C@@H]2[C@H]31 100088150 WSVQHUCRCMDNNU-HJUCRKGVSA-N 432.432 1.837 0 40 IDAB Cc1noc(C)c1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224346204 SVJGSOJSGFPXAP-UHFFFAOYSA-N 429.520 1.433 0 40 IDAB COc1cccc([C@]2(O)CC[C@H]3CN(S(=O)(=O)c4ccc5[nH]c(=O)[nH]c5c4)C[C@H]32)c1 248257701 UBMFFRWZCDTBDI-KPFBPEDLSA-N 429.498 1.783 0 40 IDAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3cc(C)n(-c4ccccc4)n3)[C@H]2O)CC1 257202219 AKYUKDJQHQADKP-YPAWHYETSA-N 425.533 1.309 0 40 IDAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc(=O)n(C)c(=O)n4C)C3)o2)c1 257331671 XTTUAPLMEOKTHR-INIZCTEOSA-N 438.484 1.691 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCc3ncc(C(=O)NCCN4CCCC4)n32)cc1 306144236 ZAGDRHMMHOKWQM-KRWDZBQOSA-N 431.562 1.483 0 40 IDAB CN1CC(=O)N2CC[C@@H](CC(=O)N3CCOCC3)[C@@H](C=CCOc3ccccc3C1)C2 958317673 CDFRJXWVTCPOOY-PMACEKPBSA-N 427.545 1.781 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCn2nnc3ccccc3c2=O)C(C)C)cc1 3432655 ZXYMHQUTGZUOEX-SFHVURJKSA-N 430.486 1.604 0 40 IDAB CCCCCCO[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 4279287 RZSSLCQNNAGTQY-UHZRXMQZSA-N 431.482 1.239 0 40 IDAB CC[C@H](C)N(C(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 6053604 SBDYEUCTCHYIES-YKNXIFKJSA-N 425.503 1.771 0 40 IDAB COc1cccc(CNC(=O)COCC(=O)N2CCN(c3ccccc3OC)CC2)c1 6954332 WCFZDJSMPFEGDJ-UHFFFAOYSA-N 427.501 1.685 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)NCCc1ccccc1F)c(=O)n2Cc1ccccc1 9155593 UZQOPIKYHAJSDK-UHFFFAOYSA-N 449.486 1.926 0 40 IDAB O=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9322097 IWJLELZGGNYPCB-UHFFFAOYSA-N 430.530 1.633 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NC3CCCC3)CC2)cc1 9435292 HXUHDNVMGWXLHC-HNNXBMFYSA-N 437.562 1.659 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 9492060 CKFGKDZUZZHSDS-LJQANCHMSA-N 432.498 1.711 0 40 IDAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4)c(C)cn23)n(C)c1=O 9829393 XDVYNGPYFDNDHE-UHFFFAOYSA-N 425.445 1.409 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC(N)=O)s2)cc1 12080612 VSFGZSFSKXPNRR-UHFFFAOYSA-N 429.549 1.398 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)cc2n1 12089388 ILMCGPIYEHNUKJ-HXUWFJFHSA-N 440.529 1.928 0 40 IDAB Cc1nn(C)cc1C(=O)N1CCC(c2nc(N3CCCCC3)ncc2S(C)(=O)=O)CC1 12133405 NEDHLMIWFGKCBZ-UHFFFAOYSA-N 446.577 1.932 0 40 IDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2cccs2)CC1 12753678 PXJRMHMZAQJFNK-CYBMUJFWSA-N 432.527 1.160 0 40 IDAB Cc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 12950060 RFFWGJOZMDORAV-UHFFFAOYSA-N 447.542 1.097 0 40 IDAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1C 13131364 AWCQOSBKCHZTJQ-UHFFFAOYSA-N 427.413 1.238 0 40 IDAB CCOc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccccn1 13723069 YGOHHSGDKRSELA-ZDUSSCGKSA-N 439.515 1.271 0 40 IDAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1)C(=O)O 15722046 MNDQKYQXVAVFSW-YJBOKZPZSA-N 427.457 1.230 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccco1 17094831 MUYOSAHYGNGVIT-MOPGFXCFSA-N 426.473 1.817 0 40 IDAB Cc1ccc2oc(C(=O)N[C@H](C)C(=O)N3CCC[C@@H](C(=O)CS(C)(=O)=O)C3)cc2c1 19221394 LOEMESIIKCIPNU-HUUCEWRRSA-N 434.514 1.712 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)[nH]c(=O)c2C1 19572684 KRWBLYUVHHMLTF-KRWDZBQOSA-N 444.557 1.426 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 32071270 NZWBAAPRENOMJK-SFHVURJKSA-N 436.512 1.513 0 40 IDAB COc1ccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC 44947970 XWIUVDAVAMUQLO-UHFFFAOYSA-N 436.486 1.557 0 40 IDAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n(CC(N)=O)c(=O)c2oc3ccccc3c21 49402442 OYCDTVDIQBLCNW-UHFFFAOYSA-N 434.452 1.904 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@@H](C)NS(=O)(=O)c2ccc(OC)c(C)c2)cc1C 54363291 SWKAOGUPKYXOQQ-OAHLLOKOSA-N 442.559 1.966 0 40 IDAB CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C/c2ccccc2)CC1 72260208 DFSROWJPNPCVND-YRNVUSSQSA-N 436.516 1.585 0 40 IDAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 72296590 IOHRIFGSWKKCCY-HXUWFJFHSA-N 435.521 1.602 0 40 IDAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCCN2CCC(N(C)C)CC2)cc1 72313314 CRCOJTCZOKPZDI-UHFFFAOYSA-N 425.599 1.863 0 40 IDAB CC(C)NC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(=O)N(C)C)[C@H]2CC1 96145839 VMWWMJWEZMHFTA-HOTGVXAUSA-N 438.550 1.109 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 101499727 GEUADDACMQBGLF-OWCLPIDISA-N 444.575 1.083 0 40 IDAB CCO[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)[C@]12CCCO2 108499919 AFSPWTBZQCALIL-XFIJJGBISA-N 438.546 1.600 0 40 IDAB COc1cccc(-c2noc(CNC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)n2)c1 224441988 RPDJKMOMIAFVOU-UHFFFAOYSA-N 448.476 1.962 0 40 IDAB CC(C)S(=O)(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)nc2C1 249698774 WJNURIZCJYJLMI-IAGOWNOFSA-N 438.550 1.511 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)CC[C@@H]2O)CC1 257242965 IEXUIRXSHMZPLU-PMACEKPBSA-N 447.967 1.665 0 40 IDAB CC1=NNC(=O)[C@H]1CCC(=O)N1CCC2(CC1)CO[C@@H]([C@@]1(C)CC[C@H](O)C(C)(C)O1)C2 257243019 IFEMTHCHBVSTQV-VDVULAQNSA-N 435.565 1.995 0 40 IDAB CNc1cc(N2CCC[C@@](O)(CNCc3cccc(CN4CCOCC4)c3)C2)ncn1 257281263 OOIZHYUQGVXRAF-HSZRJFAPSA-N 426.565 1.472 0 40 IDAB Cc1cc(C)cc(S(=O)(=O)N2CCn3cc(CC(=O)N4CCOCC4)nc3[C@H]2C)c1 585098224 SJIDKSIGASPIDK-QGZVFWFLSA-N 432.546 1.667 0 40 IDAB CC(C)Cc1cc(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)on1 643563918 JGCYGESKUYCSTG-KRWDZBQOSA-N 448.564 1.917 0 40 IDAB CN1CC(=O)N2CC[C@@H](CC(=O)N3CC[C@@H](O)C3)[C@@H](C=CCOc3ccccc3C1)C2 958317855 UADXUXJVWCHCMB-IRFCIJBXSA-N 427.545 1.515 0 40 IDAB COc1nccnc1N(C)CC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1775976189 VTRMMAHFOIDODI-UHFFFAOYSA-N 434.518 1.794 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](Oc3ccncc3Br)C2)CC1 1848770350 WJGXUHBBKLPJTG-ZDUSSCGKSA-N 432.340 1.495 0 40 IDAB CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1 2601406 FLCWJAFJHOTHDW-QGZVFWFLSA-N 428.342 1.681 0 40 IDAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc2c(c1)OCO2 3316795 FGZGUAQKFFZJJA-UHFFFAOYSA-N 448.453 1.232 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(=O)Nc3cccnc3)C2)cc1 9303953 YARRYTNQQJROFP-INIZCTEOSA-N 446.529 1.636 0 40 IDAB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 9355947 SCTSXRAQMFCZOR-VLMPBXDWSA-N 443.408 1.129 0 40 IDAB C[C@@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccccc1 9551294 CUKYMPZPOHFUPF-HUUCEWRRSA-N 429.498 1.924 0 40 IDAB CN(CC(=O)NCc1ccco1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 9765852 RKPWOUZVEAJBRB-KRWDZBQOSA-N 435.502 1.125 0 40 IDAB O=C(CCN1C(=O)c2ccccc2C1=O)NCCS(=O)(=O)N1CCc2ccccc2C1 9828372 HVFLMAXNVBYNBQ-UHFFFAOYSA-N 441.509 1.177 0 40 IDAB Cc1ccc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1S(=O)(=O)N1CCOCC1 9996022 VNOFBDSVYAKFKR-UHFFFAOYSA-N 449.529 1.274 0 40 IDAB CC(=O)N1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 11613363 OJSXTTVSCLIOKA-INIZCTEOSA-N 438.513 1.310 0 40 IDAB O=C(/C=C/c1cccs1)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OC[C@@H]1CCCO1 12136989 FFXBJRVYLWZDFZ-XPKDBEDXSA-N 437.543 1.075 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 12555845 JQGJMSDVMHUHMR-UHFFFAOYSA-N 434.470 1.812 0 40 IDAB C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12779236 UDJSUVSCCIAJTD-YWPYICTPSA-N 426.516 1.067 0 40 IDAB Cn1c(CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)cc(=O)n(C)c1=O 12889211 JCXLGJKXCKEEQC-UHFFFAOYSA-N 443.529 1.132 0 40 IDAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)NC(=O)NCc1ccco1 13129492 LLCVANPORJAEIC-UHFFFAOYSA-N 449.485 1.637 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 13148408 DWTHXRCUJSXWLK-UHFFFAOYSA-N 437.543 1.091 0 40 IDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1 13793017 USCDZOWWJJAJRE-OAHLLOKOSA-N 426.539 1.898 0 40 IDAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N1 14606998 WDJLYPNBLANHDL-LJQANCHMSA-N 449.511 1.725 0 40 IDAB O=C(c1cn(C[C@@H]2CCCN(C(=O)c3cc(-c4ccco4)n[nH]3)C2)nn1)N1CCOCC1 19342437 LHLMBXLTQHTBHR-OAHLLOKOSA-N 439.476 1.286 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3cccc(F)c3)C1)C2=O 19699661 ZSMAEOCRAPCZCY-SFHVURJKSA-N 444.507 1.999 0 40 IDAB CCN1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C(C)(C)C)CC1 19973379 BODHQKZWRCTZIK-IBGZPJMESA-N 439.520 1.725 0 40 IDAB CN(Cc1ccc(OCC(=O)NCc2ccccc2-n2ccnc2)cc1)S(C)(=O)=O 20048887 UMNGFGSGLMHPGA-UHFFFAOYSA-N 428.514 1.959 0 40 IDAB COC(=O)c1ccc(NS(=O)(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 21010406 NRNJIPAXKXGZAX-HNNXBMFYSA-N 427.504 1.447 0 40 IDAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)cc1 22320949 BZRZCYSGLXGJGD-JOCHJYFZSA-N 438.440 1.267 0 40 IDAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1=O 38492530 FVDUHYSHJRNGAP-CQSZACIVSA-N 426.448 1.752 0 40 IDAB CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 89323125 GHMYWWHHFOYPAQ-UHFFFAOYSA-N 431.514 1.671 0 40 IDAB C[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 95351759 WVSPWMWPUAORGY-SRVKXCTJSA-N 445.497 1.157 0 40 IDAB COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)nc2ccc(Cl)cn2c1=O 96118104 FSORWFDDAMYZAQ-ZDUSSCGKSA-N 442.859 1.939 0 40 IDAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 96221375 XRFIDLUPTTWXQY-KRWDZBQOSA-N 425.441 1.941 0 40 IDAB biogenic COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccco1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 247835748 MHVHYRDHICVICQ-FBAVSBLXSA-N 441.415 1.013 0 40 IDAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N1CCC(C(N)=O)CC1)NC2=O 247984391 YNNMRPAXTRVSRH-UVJWIIJLSA-N 427.501 1.674 0 40 IDAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CC[C@@](O)(CN2CCN(C)CC2)C1 257204119 ATCTXEOXVKGTIP-XMMPIXPASA-N 440.592 1.171 0 40 IDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(OCCN)c3)C2)c2cnccc2n1 257278100 OAUFLALJYWHRDY-XMMPIXPASA-N 435.528 1.989 0 40 IDAB CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)CC1 408593177 PKYGFGXANSVYMQ-UHFFFAOYSA-N 429.970 1.913 0 40 IDAB CC(C)NC(=O)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cnccn1)C2 585107566 ZZCRZWBGTXOMPL-QHCPKHFHSA-N 431.500 1.748 0 40 IDAB CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)CCS(C)(=O)=O)N2Cc2ccccc21 1565556745 ZXZAYAFAQLXGDR-MSOLQXFVSA-N 436.578 1.509 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1cccnc1 1839235 AYKNIMNMOOKULJ-SFHVURJKSA-N 431.330 1.061 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NC2CCCCC2)ccc1F 3027823 ZBDGMDPJAVOYTO-GOSISDBHSA-N 441.525 1.436 0 40 IDAB Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)NC[C@@H]1CCCO1 3446563 HJXBDACEGUNSHR-ZDUSSCGKSA-N 442.339 1.721 0 40 IDAB CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 9090508 UXUZQERAYFSFIA-VMPITWQZSA-N 436.530 1.522 0 40 IDAB COCCNC(=O)NC(=O)COC(=O)c1cc(Br)c(Br)s1 9630767 NERQHDWQGYUMQY-UHFFFAOYSA-N 444.101 1.902 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 10188065 HYUVTNSBLUUHSW-LLVKDONJSA-N 446.437 1.432 0 40 IDAB Cc1nccc(-c2sc(C3CCN(C(=O)CC[C@@H]4NC(=O)NC4=O)CC3)nc2C)n1 12668032 LYSSVNCPDAEEHI-HNNXBMFYSA-N 428.518 1.911 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)CSCc2c(C)noc2C)c(=O)[nH]c1=O 12927047 GVEYDHHTSKRHQV-UHFFFAOYSA-N 439.538 1.437 0 40 IDAB COC[C@@H](C)NC(=S)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13039482 VLAALRWMRWPWOU-CQSZACIVSA-N 429.564 1.064 0 40 IDAB CN(CC(=O)NCc1ccco1)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 13040886 SRBDWHNMFNBFAT-HSZRJFAPSA-N 438.484 1.310 0 40 IDAB CCOC(=O)CCc1c(C)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c1=O 13611352 QLARUMNMRSFMGO-UHFFFAOYSA-N 428.489 1.625 0 40 IDAB COc1cc(-c2nc(CC(=O)N[C@H]3CCS(=O)(=O)C3)cs2)cc(OC)c1OC 13718634 SZVCPPGGQYAXRS-LBPRGKRZSA-N 426.516 1.682 0 40 IDAB CCOc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)NCc1cccnc1 13732042 MMFFFVIMZIBIOV-ZDUSSCGKSA-N 439.515 1.271 0 40 IDAB CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccnc(N4CCN(C)CC4)n2)CC3)CC1 19496943 JZEGNVMMABMEGN-UHFFFAOYSA-N 438.580 1.106 0 40 IDAB CSc1ccc(N2C[C@@H](C(=O)NCc3cccc(NS(N)(=O)=O)c3)CC2=O)cc1 32754079 GZIQITBANVJSTM-AWEZNQCLSA-N 434.543 1.693 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)NC3CC3)c2)CC1 34888548 YGOSBUVASPEUMB-UHFFFAOYSA-N 442.541 1.767 0 40 IDAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCCCN(C(C)C)S(C)(=O)=O 48354065 DTIXJMTZCWRWGZ-KRWDZBQOSA-N 426.518 1.081 0 40 IDAB CN(Cc1ncc(C(=O)O)c(N2CCOCC2)n1)S(=O)(=O)c1ccc(Cl)cc1 49469410 DWFYEIGOOOIVNI-UHFFFAOYSA-N 426.882 1.486 0 40 IDAB O=C(NCCn1ccc2ccc(Cl)cc21)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 71282345 LFRVZSJMZOZSTH-HNNXBMFYSA-N 436.921 1.576 0 40 IDAB NC(=O)[C@H]1CN(C(=O)c2cccn2-c2cccc(I)c2)CCO1 72050469 TUPIJWWRURGUMX-CQSZACIVSA-N 425.226 1.408 0 40 IDAB Cc1cc(C)nc(Nc2ccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)n1 79489017 BSRATLJNWPXRLH-LJQANCHMSA-N 429.546 1.782 0 40 IDAB Cc1sc2nc(CN3CCN(C(=O)CCOC[C@@H]4CCCO4)CC3)[nH]c(=O)c2c1C 95347340 XUFASWGRQJDQMU-INIZCTEOSA-N 434.562 1.831 0 40 IDAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@@H](O)c4ccc5c(c4)CCO5)cc1c32 101326197 DUFCGTNFYFJYME-ORAYPTAESA-N 435.480 1.806 0 40 IDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCc1cc(=O)n2cc(Br)ccc2n1 101477518 JKNZJBJIXWMYIL-OKILXGFUSA-N 446.257 1.451 0 40 IDAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 219267608 SOSDGQVQJOXJTH-WMLDXEAASA-N 425.551 1.932 0 40 IDAB CN1C[C@@H](C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)CC1=O 257321989 WEFDDFCTWURGEN-RPLOAYLJSA-N 429.561 1.155 0 40 IDAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O 409241552 YHINMTJXHFTBJO-GZTJUZNOSA-N 433.468 1.971 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2C(=O)C(Cl)(Cl)Cl)c1 575424711 VXRJMHXMUQHTRD-GHMZBOCLSA-N 448.777 1.934 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1CC(=O)N[C@@H]1CCCC[C@H]1C 585139638 ZAJVTOBDHGIBFN-HCSLKHAMSA-N 446.544 1.916 0 40 IDAB CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1=O 643557154 SPFMJGCTFMHJIQ-HSZRJFAPSA-N 426.517 1.895 0 40 IDAB O=C(NC[C@@H](O)CO)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1ccncc1 643584130 GBUAESKMFLBTJF-OAQYLSRUSA-N 440.544 1.865 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3c(Cl)cnn3C)C2)cnn1C 2732989 LFFWVIXCGOLITD-CYBMUJFWSA-N 428.946 1.175 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)C[C@@H](OC(C)=O)[C@H]1OC(C)=O 4975052 PXDSYUHUQAIRBD-RGCMKSIDSA-N 426.813 1.194 0 40 IDAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCCNC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)OC2=O 6232724 XGRKUKXYQLTUHB-LUKWVAJMSA-N 434.533 1.853 0 40 IDAB Cc1cn2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc2n1CCO 8709840 VAXSHOVQKUTHPN-UHFFFAOYSA-N 432.278 1.261 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC2)cc1 9184022 VOOKKFZSMGFWEJ-FQEVSTJZSA-N 446.525 1.908 0 40 IDAB CCOc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 9402914 KURFZSCGTLEOQT-UHFFFAOYSA-N 426.516 1.907 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc(Br)o1 9570256 WGEZKHJYTGBYST-UHFFFAOYSA-N 442.335 1.924 0 40 IDAB COc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 9806224 OFHSXMSKEOIIAE-SFHVURJKSA-N 445.541 1.589 0 40 IDAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 10251847 ZTLUZXFMEUPFOW-CQSZACIVSA-N 432.415 1.845 0 40 IDAB O=C(COC(=O)/C=C/c1ccccc1)NCCNC(=O)COC(=O)/C=C/c1ccccc1 10898247 XYFVTJJIFYIQQP-PHEQNACWSA-N 436.464 1.732 0 40 IDAB COc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c(CSc2nnnn2C)cc1=O 11024043 NABBCHWNMXXAIA-UHFFFAOYSA-N 444.473 1.083 0 40 IDAB Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 12374495 PNGDGHUKTBXEDB-HXUWFJFHSA-N 430.530 1.897 0 40 IDAB Cc1[nH]c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc1Cc1ccccc1 12547984 YBCROAXOZFGKHZ-SFHVURJKSA-N 448.614 1.732 0 40 IDAB COc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1F 12573131 LUWRYMKYWIWKAJ-UHFFFAOYSA-N 444.448 1.344 0 40 IDAB Cc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1S(=O)(=O)N1CCOCC1 12847890 AGAQSEZNYOLYCC-UHFFFAOYSA-N 445.497 1.953 0 40 IDAB CC(C)NC(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 12900444 WQTWACJGBHOKDQ-UHFFFAOYSA-N 449.511 1.720 0 40 IDAB biogenic CC(=O)Nc1ccc(NC(=O)C[C@@H]2N=C(N3CCN(c4ccccc4)CC3)NC2=O)cc1 13693781 NCNOCHFGSCSODQ-FQEVSTJZSA-N 434.500 1.650 0 40 IDAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc1 14189257 ZSIQNOAEGXGANT-JOCHJYFZSA-N 443.525 1.983 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3n[nH]c(=O)c4ccccc34)cc2)C[C@H](C)O1 15916130 MZZSFLRFQKNIMX-KBPBESRZSA-N 442.497 1.973 0 40 IDAB COc1ccc(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ncccn3)CC2)cc1 16050770 IKJNZKBDYABLAX-GOSISDBHSA-N 429.546 1.686 0 40 IDAB COc1cccc(CNC(=O)c2cc3c(nc2N)CCN(S(=O)(=O)N2CCCC2)C3)c1 19700617 PPQDEBZJNNCACA-UHFFFAOYSA-N 445.545 1.301 0 40 IDAB Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 20519383 RNQJVOZYORZMII-UHFFFAOYSA-N 438.315 1.621 0 40 IDAB O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc(Cl)c2)CC1 24802992 LHMBPZQMHSQTDS-YOEHRIQHSA-N 425.938 1.024 0 40 IDAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)CC1 25575075 XCRZBASFDQZQGQ-UHFFFAOYSA-N 426.498 1.493 0 40 IDAB CC(C)OC(=O)C[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 32820971 XYXWINCHVDDNDZ-AEFFLSMTSA-N 449.529 1.351 0 40 IDAB CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)N(C)C 32933043 SKSQZPSETQUBPE-WMZOPIPTSA-N 425.551 1.377 0 40 IDAB COc1cc2c(O)nc3c(C(=O)N4CCN(c5ccccn5)CC4)nnn3c2cc1OC 33435963 SPMSEMXFSUXSQZ-UHFFFAOYSA-N 435.444 1.358 0 40 IDAB O=C(CN1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1)Nc1ccc(F)cc1 36385059 QEZGHTPSZRKTLL-UHFFFAOYSA-N 442.447 1.067 0 40 IDAB C[C@@H](NC(=O)COc1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 39995763 HLJMAHLIGVJHMB-RTBURBONSA-N 439.512 1.851 0 40 IDAB C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)C[C@@H](C)O1 40142421 ISANZPJVBRNCNT-GASCZTMLSA-N 437.500 1.161 0 40 IDAB Cc1occc1C(=O)Nc1nc(CC(=O)NCCCn2nc3ccccn3c2=O)cs1 40156045 ZNTMIVLSSYWDGM-UHFFFAOYSA-N 440.485 1.855 0 40 IDAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@]23C(=O)Nc2c(C)cccc23)c1 62001267 BPCRMQYWRUOQLN-SVLHDBBDSA-N 438.484 1.652 0 40 IDAB biogenic CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccccn4)CC3)n2)CC1 72335884 AZJVZDLOQQLUFE-UHFFFAOYSA-N 444.561 1.047 0 40 IDAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 101348425 FCJKFGSBXLPUQK-IBGZPJMESA-N 427.482 1.929 0 40 IDAB CCCN1CCN(C(=O)CN2CC(=O)NC2=O)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 257317580 VKJHYVMKFOBRQZ-HXUWFJFHSA-N 449.511 1.292 0 40 IDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)N2CCCC2)C[C@]12CCN(Cc1cccs1)C2 306142189 WSFWVLNBOFPGAD-IEBWSBKVSA-N 426.608 1.780 0 40 IDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575426738 ZDULZBCVZCUOJT-HZPDHXFCSA-N 440.499 1.064 0 40 IDAB O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(Cn2ccnc2)cc1 575608685 XRZFZABYVBKNAB-UHFFFAOYSA-N 448.531 1.483 0 40 IDAB CN1CCC(N2CC[C@H](N(C)C(=O)c3cnc4c(c3)c(O)nc(=O)n4C3CC3)C2)CC1 601477096 DLHJFYSVLFRMEH-KRWDZBQOSA-N 426.521 1.073 0 40 IDAB CS(=O)(=O)N1CCN(C2=NCCOCCOc3ccccc3Oc3ncccc32)CC1 1615082577 KJZIUPATABSEHC-UHFFFAOYSA-N 446.529 1.607 0 40 IDAB COc1ccc(-c2cc(=O)n(CC(=O)N3C[C@@H]4CN(c5cnccn5)C[C@@H]4C3)cn2)cc1 1888928809 ASKKGFKELMPEOZ-HDICACEKSA-N 432.484 1.304 0 40 IDAB NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC1(O)CCN(c2cccc(F)c2)CC1 2037845581 CZFTYUDXALWDTF-QFIPXVFZSA-N 426.536 1.829 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@H](CCC(=O)O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 2132004 CNUXTOQYWCNBPK-VGHKVXAASA-N 425.485 1.913 0 40 IDAB biogenic Cc1cc(C)n2nc(C(=O)NN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)nc2n1 8924248 XPNQDSCLLNAREA-UHFFFAOYSA-N 441.451 1.882 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)cc1 9121040 JJTGGNDSOJZKQO-HNNXBMFYSA-N 447.469 1.421 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2Cc2ccccc2)C1=O 9665038 CNBRSSSFLUYVDH-HXUWFJFHSA-N 437.485 1.312 0 40 IDAB COc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc5c(c4)OCO5)c3n2)c1OC 9739531 NOIZIMINUZFJMJ-UHFFFAOYSA-N 435.396 1.621 0 40 IDAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 11317465 JHSUQPBZHDETHJ-QFIPXVFZSA-N 438.440 1.822 0 40 IDAB C[C@H](NC(=O)c1ccccc1F)C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 12231837 SKFDOCNABYSPPT-BSGVFPLJSA-N 438.459 1.543 0 40 IDAB CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 12236014 IMNBZIGGQVAOEW-INIZCTEOSA-N 426.520 1.619 0 40 IDAB CCc1cccc(OC[C@@H](O)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 12289085 ZLWYKTKYQPZRHK-WBVHZDCISA-N 441.532 1.662 0 40 IDAB Cc1cccc(OC[C@H](O)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 12289093 IWNXKUMTHIOTMJ-HZPDHXFCSA-N 427.505 1.408 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)Nc1ccc2c(c1)OCO2 12786255 ZTYBQOGLAXZUOL-INIZCTEOSA-N 434.518 1.659 0 40 IDAB COC[C@H](C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 12896058 IUXRREKJLJVXGE-SFHVURJKSA-N 439.578 1.376 0 40 IDAB COc1ccccc1S(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccc(C(N)=O)cc1 14119178 TZGYAENWXPWFKE-OAHLLOKOSA-N 437.543 1.833 0 40 IDAB CC(C)(C)NC(=O)CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1 14170548 GNYSLWWELAQKMY-UHFFFAOYSA-N 431.533 1.870 0 40 IDAB CC(=O)OCc1c(O)c2c(c3c1OC(=O)c1c(C)cc(O)c(C=O)c1O3)[C@H](O)OC2=O 14689457 IHMXDYQQUZKOON-HXUWFJFHSA-N 430.321 1.768 0 40 IDAB biogenic COc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)N3CCC[C@@H]3C(=O)O)C(C)C)CC2=O)cc1 15959693 IHWJGQUDIGPWGB-BJZITVGISA-N 431.489 1.265 0 40 IDAB biogenic Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 16033835 OJBPQRSSQGMMPR-IPROKWSXSA-N 437.471 1.744 0 40 IDAB COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 17298765 VYTHXZGCCVGSNY-UHFFFAOYSA-N 448.541 1.974 0 40 IDAB CN1CCN(CC(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)CC1 19288908 QCVOJMBRKKFORL-UHFFFAOYSA-N 428.556 1.554 0 40 IDAB CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2ccnn2C)CCO1 19702917 ZIKPRZUNAYFGLC-OAHLLOKOSA-N 429.502 1.308 0 40 IDAB CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCC3(CC2)OCCO3)cc1 19820961 RDPMIBMNKRHKNC-ROUUACIJSA-N 429.560 1.027 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1N1CCCC1=O 20112205 UHQRNHLGAAGWHX-UHFFFAOYSA-N 430.486 1.813 0 40 IDAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 22741124 HPVRZDHCWIDFPQ-IBGZPJMESA-N 438.527 1.803 0 40 IDAB Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1C 24497730 QWJRQKWNMUDYCU-UHFFFAOYSA-N 432.528 1.903 0 40 IDAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(OC)cc1 24817030 XXNHGPDRXHOPCX-HXUWFJFHSA-N 445.541 1.869 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)n(C)c1 26133209 BXBJRWQCGGFYNS-UHFFFAOYSA-N 447.513 1.440 0 40 IDAB CCN(CC)CCN(CC)C(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326464 NMHWSGVWDLBCDF-HSZRJFAPSA-N 429.565 1.741 0 40 IDAB CC(=O)N1CCCN(C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)CC1 72327638 NIMZWMYLDOQQTE-MZNJEOGPSA-N 441.528 1.872 0 40 IDAB COc1ccc([C@@H](CNCc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)N2CCOCC2)cc1 79108830 NHNCQFRNEKBKHD-FGZHOGPDSA-N 448.589 1.589 0 40 IDAB CN1CC[C@@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H]1c1ccc(Cl)cc1 89745388 SMMMDIMMLNYZRL-IAGOWNOFSA-N 427.892 1.461 0 40 IDAB CCC[C@H]1C(=O)NCCN1C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 95451911 CLZKPAFYSWNUOE-AWEZNQCLSA-N 432.340 1.245 0 40 IDAB C[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc2c(c1)OCCO2 139092278 PIVBBLYKAAIPIM-TZMCWYRMSA-N 439.472 1.984 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225427429 KHBNOKQHVPBKKT-CQSZACIVSA-N 439.484 1.894 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCCn3ccnc3)CC2)c1 408588608 DKQARLFKAKDHJW-UHFFFAOYSA-N 436.534 1.508 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408657324 JKQMXNCSUHPXOC-UWTPGLLQSA-N 426.425 1.151 0 40 IDAB COc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(OC)c1 408712950 DALRORBLHADONW-UHFFFAOYSA-N 447.513 1.743 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3CCC(N4c5ccccc5N(C)S4(=O)=O)CC3)nc2n1 575414213 SUTWLEJLZFMBJY-UHFFFAOYSA-N 441.517 1.547 0 40 IDAB CO[C@H]1CN(C(C)=O)CCCN(Cc2cccc3[nH]ccc23)CCCCOC[C@H](O)[C@@H]1O 643913321 QVKDUPICAROQGE-HJOGWXRNSA-N 447.576 1.756 0 40 IDAB CC(C)(CC(=O)O)CC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccco4)n3)CO[C@H]12 5438612 DISBIKSSUJVHCY-YXUGBTPSSA-N 430.461 1.691 0 40 IDAB biogenic,in-vitro CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(C)cc1C 6549443 SNSYWTDXYZISJL-AQNXPRMDSA-N 437.445 1.600 0 40 IDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8987084 UTBOQXQJSBRGLL-UHFFFAOYSA-N 448.526 1.148 0 40 IDAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9112571 GFHVUDHSEJOHHS-UHFFFAOYSA-N 445.501 1.477 0 40 IDAB C[C@H]1CN(C(=O)Cn2cnc3c(nnn3-c3ccc(Br)cc3)c2=O)C[C@H](C)O1 9517787 COPAQZWZXJTCJJ-RYUDHWBXSA-N 447.293 1.376 0 40 IDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)CCN3C(=O)NC(C)(C)C3=O)C2)C1 12087177 WHIKGKVVFPPOEF-HSZRJFAPSA-N 442.516 1.509 0 40 IDAB COCCCN1C[C@@H](C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)CC1=O 12327097 MJWZZMRZLDPQIJ-SFHVURJKSA-N 438.528 1.925 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)CC2)c1 12921080 GTNXCVWJBKGLEH-UHFFFAOYSA-N 442.541 1.490 0 40 IDAB O=C(NCCCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccsc1 12982612 XPNYHMBOIWWWTC-UHFFFAOYSA-N 439.534 1.930 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cn1nc(C)c2ccccc2c1=O 14213703 DHZVJRIRGZMJBZ-KRWDZBQOSA-N 429.546 1.967 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCc3cccnc3)CC1)O2 19219045 QSVQCLPTVUSALU-XDHUDOTRSA-N 436.512 1.968 0 40 IDAB O=C(Cn1nnc2ccccc21)N[C@@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 19749620 GEFQDWBHPKKGFJ-GOSISDBHSA-N 441.513 1.256 0 40 IDAB CCOc1ccc(OCC)c(S(=O)(=O)NCCNc2ccc(-n3cccn3)nn2)c1 19924324 WFEWNKVGKKHSDF-UHFFFAOYSA-N 432.506 1.850 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 20168806 BEWMJAHFWGNBPA-KRWDZBQOSA-N 425.441 1.546 0 40 IDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCCN2CCCCC2)c2cc(Br)ccc21 20622727 NUNFOIFXPKDXKZ-INIZCTEOSA-N 437.338 1.575 0 40 IDAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N2CCNC2=O)cc1 21464231 VIGOMWMZNNMRHV-UHFFFAOYSA-N 447.469 1.595 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(C)c(OC)c2)c(=O)[nH]c1=O 21588436 DFDIVVABUABICM-UHFFFAOYSA-N 438.484 1.929 0 40 IDAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 23818244 QHQQNJPIANYDRI-KSFYIVLOSA-N 426.425 1.825 0 40 IDAB C[C@@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3F)CC2)C[C@@H](C)O1 26193058 PZGJPQWJNSCNRW-HZPDHXFCSA-N 428.530 1.126 0 40 IDAB COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)CC1 28207319 GFESZZHWSVBADL-UHFFFAOYSA-N 433.530 1.673 0 40 IDAB O=C(NCCNC(=O)c1ccco1)NCc1ccccc1S(=O)(=O)N1CCCCC1 29726899 MHBZZAANWPBLKI-UHFFFAOYSA-N 434.518 1.683 0 40 IDAB O=C1CN(C(=O)c2ccc3nc(NS(=O)(=O)c4ccc(F)cc4)sc3c2)CCN1 32070644 IIBGIPVLCKAKBT-UHFFFAOYSA-N 434.474 1.808 0 40 IDAB CC(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 32902370 LPPVUIOIZCEXJQ-LLVKDONJSA-N 438.369 1.164 0 40 IDAB C[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(=O)(=O)NS(=O)(=O)O)c1 44135872 SAFINQVOKAXDCJ-SNVBAGLBSA-N 445.906 1.517 0 40 IDAB in-vitro CCN(CC)CCCNC(=O)C1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1 58167225 PRWKXYKWRFKBMN-UHFFFAOYSA-N 427.590 1.781 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)NCc4ccc(C)cc4)c(=O)c3s2)CC1 67225897 XHMVPRYAGPTNDN-UHFFFAOYSA-N 426.546 1.620 0 40 IDAB CN1C(=O)CO[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]1c1ccc(Cl)cc1 72241356 NYUVNWMAWSUDGE-RTBURBONSA-N 431.876 1.816 0 40 IDAB C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326682 MBHQASNICXGLMX-QZMQVMSPSA-N 426.517 1.213 0 40 IDAB CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NC[C@H]2Cc3ccccc3O2)C1=O 79067516 ZBFVDHPNMLNSTP-MRXNPFEDSA-N 437.456 1.305 0 40 IDAB Cc1cc(C(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(Cc2cccc(Cl)c2)S4(=O)=O)O3)no1 96264007 KAMVNBQJBSRICN-AYBZRNKSSA-N 437.905 1.834 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3nn(C)cc3-c3cccnc3)CC2)CC1 100729281 HIZMQIHEUOCYLB-MAEOIBBWSA-N 447.561 1.520 0 40 IDAB NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2S1 107169099 DICCXHOPHCSSGA-SOLBZPMBSA-N 436.445 1.936 0 40 IDAB C[C@@](O)(CNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)c1ccc2c(c1)OCO2 206658966 DDFZDZQYTRBZIB-OAQYLSRUSA-N 430.482 1.437 0 40 IDAB CN(c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1)S(C)(=O)=O 224881608 XZEYTLWFOLNHRG-UHFFFAOYSA-N 447.513 1.572 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225604180 YNKDMGQWIRSMQI-UHFFFAOYSA-N 438.531 1.214 0 40 IDAB CC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C3\C(=O)Nc4ccccc43)c(=O)n12 226956114 IZKAOEVHZXAETM-BLRYACLQSA-N 431.473 1.597 0 40 IDAB CC(C)c1nnsc1C(=O)N1CCN(C)[C@@H](C(=O)NCCOc2cccc(F)c2)C1 257279189 OFLNYPJVKQAUTN-MRXNPFEDSA-N 435.525 1.752 0 40 IDAB CCn1c(CCC(=O)N2CC[C@H](n3cnc4c(N)ncnc43)[C@@](C)(O)C2)nc2ccccc21 257289676 PZSRLXXVIFFXSO-SBUREZEXSA-N 448.531 1.935 0 40 IDAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C4OCCO4)C=C[C@H]3O2)sc2c1CCCC2 409289464 GLXRIUJBKIMOPX-IBXRFGQTSA-N 445.493 1.990 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)NCc4ccc(F)cc4)C[C@H]23)n1 1549161194 FHRJBBZWDXCFEY-KRWDZBQOSA-N 426.452 1.529 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3-c3ccccc3)C2)cc1 2806505 OAHBWFIWPIFQOW-UHFFFAOYSA-N 444.542 1.553 0 40 IDAB COC(=O)C1=C(C(=O)OC)[C@H]2C=CC=C(c3ccccc3)N2C(C(=O)OC)=C1C(=O)OC 8387007 YMDHZJVASUXZFI-OAHLLOKOSA-N 439.420 1.524 0 40 IDAB Cc1ccc(N2CCn3c2nn(CC(=O)NCc2ccccc2Cl)c(=O)c3=O)cc1 8849875 URQQDLKFLOMUQX-UHFFFAOYSA-N 425.876 1.835 0 40 IDAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1)N1C(=O)c2ccccc2C1=O 8942732 ITPKRXOIVWMUSC-SFHVURJKSA-N 437.452 1.978 0 40 IDAB CCNC(=S)NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 9562275 OOPWDRMQIOXIPP-UHFFFAOYSA-N 438.000 1.046 0 40 IDAB CCc1nnc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)s1 10216925 CTSBSXQOXLFMPV-UHFFFAOYSA-N 434.547 1.900 0 40 IDAB Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc4c(c3)OCO4)CC2)c1 12445060 QWSKNXSOIXLPKA-UHFFFAOYSA-N 431.514 1.606 0 40 IDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC1 12553085 GSSLRPKWGNZQIH-UHFFFAOYSA-N 447.543 1.994 0 40 IDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 13097357 IQIGFGLXQZOKCC-UHFFFAOYSA-N 428.836 1.570 0 40 IDAB O=C1C(=O)N(CN2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1Cc1cccs1 13121303 FLTQFRRUDSDTEQ-UHFFFAOYSA-N 448.526 1.003 0 40 IDAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 14850809 ZNLZJVKBXNDVLE-UHFFFAOYSA-N 437.543 1.901 0 40 IDAB O=C(O)CC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16021994 RTTDALGSQFWQQJ-ZHNFZGJGSA-N 433.464 1.515 0 40 IDAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)n1 16046446 YFAXHNIKJUXIDU-UHFFFAOYSA-N 440.547 1.712 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3)[nH]c(=O)c2C1 19520409 SHPAJXPHHHZXFT-SFHVURJKSA-N 430.530 1.845 0 40 IDAB O=C(CCCN1C(=O)CNC1=O)N1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1 19693365 CMJHTMVBNGWGPR-MRXNPFEDSA-N 427.436 1.515 0 40 IDAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)=C2)cc1 20366873 KAXZCNKBIGEMJQ-UHFFFAOYSA-N 432.546 1.575 0 40 IDAB COc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)ccc1OCC(N)=O 21322907 LYTAZKURMFLNIB-SFHVURJKSA-N 431.464 1.502 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 22851217 QVZRXTUJHXAAPG-MRXNPFEDSA-N 438.477 1.915 0 40 IDAB Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c(N3CCN(C(=O)C4CC4)CC3)ccnc21 23108484 UMOAQLWRHAPLAY-UHFFFAOYSA-N 437.475 1.341 0 40 IDAB COc1cc(C(=O)Nc2cc(C(=O)N3CCOCC3)cn(C)c2=O)cc(OC)c1OC 23109226 APRUTMSIXNQYGV-UHFFFAOYSA-N 431.445 1.136 0 40 IDAB Cc1cc(NC(=O)CN2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)no1 29964992 GCWYSQSPUDPRFZ-UHFFFAOYSA-N 441.540 1.129 0 40 IDAB COC(=O)c1cc(C(=O)OC)cc(-n2ccc3c(cnc4nc(SC)nn43)c2=O)c1 30875380 VSKRMRXOZVULBF-UHFFFAOYSA-N 425.426 1.724 0 40 IDAB CCOC(=O)C1=C(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)NC(=O)N[C@H]1CC 32541458 GKYINJJTHZQVNB-KRWDZBQOSA-N 447.511 1.290 0 40 IDAB O=C(CNC(=O)c1cccc(F)c1)OCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 32876757 YCAFHDHCOMVTQN-GOSISDBHSA-N 448.472 1.319 0 40 IDAB C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O 40127971 GWZGVTBJDRKCGM-FQEVSTJZSA-N 425.470 1.638 0 40 IDAB COC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 51318422 SAQSRFNHSYMIPF-FQEVSTJZSA-N 438.484 1.827 0 40 IDAB CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)nn1 96011873 HQOTXAXWEUEWQX-LJQANCHMSA-N 432.484 1.956 0 40 IDAB COCC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1cccc(OC)c1)Cn1ccnc12 96036674 ZTBQTJFAXSNMRH-GOSISDBHSA-N 428.489 1.071 0 40 IDAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 147938053 XWZPPYRAUPROIX-MRXNPFEDSA-N 430.578 1.964 0 40 IDAB C[C@H]1CN(CCCc2nnc(CCCN3C[C@H](C)N[C@H](C)C3)n2-n2cccc2)C[C@@H](C)N1 225153409 ZKUCFLTXOFGCFM-COPRSSIGSA-N 442.656 1.621 0 40 IDAB CCc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)s1 253405836 TVMYLDOVHPEXJY-UHFFFAOYSA-N 432.593 1.438 0 40 IDAB COc1ccc(NC(C)=O)c(NC(=O)CN2CCC[C@](C)(C(=O)N3CCOCC3)C2)c1 257321081 WAACDNDTWIMKLH-QFIPXVFZSA-N 432.521 1.553 0 40 IDAB COCCN(CCOC)C(=O)c1nc([C@H]2CCCN(S(C)(=O)=O)C2)n2ccccc12 306132091 KYDNXUASCVDOFT-INIZCTEOSA-N 438.550 1.208 0 40 IDAB CCOC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 409144947 LVDVTTJYAQAJIY-UHFFFAOYSA-N 433.324 1.529 0 40 IDAB Cc1cccc(NC(SCC(=O)NC[C@@H]2CCCO2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 409376596 ZYJXVUDELORWLO-HNNXBMFYSA-N 446.529 1.697 0 40 IDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@H]4c4ccccc4)C3)C2)[nH]n1 540328600 OAMHDZAKUHAMIU-PDOICOKGSA-N 436.516 1.555 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)cc1C(N)=O 575613840 WHUCGXRICNJNIP-OAQYLSRUSA-N 434.514 1.387 0 40 IDAB NC(=O)C1CCN(C(=O)[C@H]2CN(Cc3cccc(OCCO)c3)CC23CCOCC3)CC1 585101975 NQXLIVYDDMJADM-OAQYLSRUSA-N 445.560 1.010 0 40 IDAB C[C@@H](CN1CCOCC1)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1198421706 LLICGIGCDBMIEA-PXNSSMCTSA-N 426.399 1.995 0 40 IDAB O=C(c1cc(-c2cccc(C(F)(F)F)c2)ccn1)N1CCN2[C@H](CNS2(=O)=O)C1 1597327363 KLULMDDVGFHEKL-OAHLLOKOSA-N 426.420 1.742 0 40 IDAB COc1cc2cc(CN(CCCO)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1OC 6239386 ZSFFNYMOPBDDTC-INIZCTEOSA-N 435.546 1.783 0 40 IDAB CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCN(c2ccccc2)CC1 6365551 KSNPRWBUYQYEBE-UHFFFAOYSA-N 425.485 1.707 0 40 IDAB COc1ccc(Cl)cc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1 8848805 JGSJXVKPXDBSAO-UHFFFAOYSA-N 427.848 1.857 0 40 IDAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 9727625 YCBLFBNMBAXGAZ-DNVCBOLYSA-N 439.921 1.285 0 40 IDAB COc1ccc(Cn2nnnc2SCC(=O)NC[C@H]2COc3ccccc3O2)cc1 9783379 OHNAYWYLBOKGSC-INIZCTEOSA-N 427.486 1.778 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(F)c2)cc1 9806717 IBMPXSKERNJJQH-MRXNPFEDSA-N 435.477 1.742 0 40 IDAB Cc1ccc(NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9912474 XURPEKXAPDCSQB-UHFFFAOYSA-N 447.513 1.484 0 40 IDAB CC(C)OCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 10385574 RCOCMCASLAYKRI-HNNXBMFYSA-N 431.493 1.090 0 40 IDAB O=C(c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1)N1CCN(c2ccccn2)CC1 12030424 KJFIEUZESLVFGP-SFHVURJKSA-N 449.554 1.005 0 40 IDAB Cc1nc(C)n([C@H](C)CC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 12089435 KGGRBWSSDVLMEL-XCLFUZPHSA-N 432.550 1.815 0 40 IDAB COc1ccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1S(=O)(=O)N1CCCCC1 12632563 VIPVBFKZUJOIAE-IYBDPMFKSA-N 425.551 1.918 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1CCC[C@H]1C(N)=O 12802198 PHVXSDXKTMHYDF-KRWDZBQOSA-N 438.550 1.148 0 40 IDAB CC(C)Cn1c(N)c(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(=O)n(C)c1=O 13100624 GCIUHEFGBJIQEP-UHFFFAOYSA-N 434.802 1.502 0 40 IDAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccc(F)cc2)cc1 13371698 IVQNBZNDGICHAQ-OALUTQOASA-N 427.519 1.606 0 40 IDAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 14075709 FLYGTKKBUSNGLN-UHFFFAOYSA-N 434.518 1.381 0 40 IDAB CC(C)c1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 19451697 TXBJCABFMFNACA-QGZVFWFLSA-N 445.545 1.674 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2C(=O)CN2CCOCC2)n1 19689383 FPVDVDOPBNLSPN-IBGZPJMESA-N 438.532 1.304 0 40 IDAB CC(=O)N1C[C@H](c2ccc(CN(C)C(=O)Cn3nc(C)nc3C)cc2)[C@@H](C(=O)N(C)C)C1 19698793 NYMUWSVGYSYSAZ-RTWAWAEBSA-N 440.548 1.204 0 40 IDAB Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(S(=O)(=O)c1ccc(F)cc1)C2 19701409 ZVDXKIJFHSGOKQ-SFHVURJKSA-N 429.477 1.559 0 40 IDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)cc1 20635739 MOPMVQHTKKZRKW-CQSZACIVSA-N 440.460 1.137 0 40 IDAB CCOC(=O)N1CCN([C@@H](c2ccccn2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697835 MUBYZFJTTKQAGW-FQEVSTJZSA-N 430.505 1.767 0 40 IDAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23014237 AEQTUZKLBWFQFL-UHFFFAOYSA-N 436.472 1.974 0 40 IDAB CC1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)CC1 35312007 BBGBPFYUQFTQJA-CGZBRXJRSA-N 432.550 1.758 0 40 IDAB CNS(=O)(=O)c1cc(/C=C/C(=O)Nc2cccc(OCCC(N)=O)c2)ccc1OC 40158079 CAAIKKXUBJRFED-VQHVLOKHSA-N 433.486 1.509 0 40 IDAB CN(C1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1)S(C)(=O)=O 48341116 OWSJKHZOJOTWNK-UHFFFAOYSA-N 427.527 1.785 0 40 IDAB CC(C)(C)c1nc(CS(=O)(=O)Cc2cccc(S(=O)(=O)N3CCOCC3)c2)no1 69420854 GXQJELRZOZWKFT-UHFFFAOYSA-N 443.547 1.503 0 40 IDAB COc1ccc(OCCc2cc([C@@H]3CCN(S(=O)(=O)c4cn(C)cn4)C3)n[nH]2)cc1 72371770 LGFXJMHMISIPBC-OAHLLOKOSA-N 431.518 1.952 0 40 IDAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCn1cnc3c(C)cccc3c1=O)CC2 78875359 IRTFYNSWKXIISX-UHFFFAOYSA-N 440.525 1.983 0 40 IDAB CCCNC(=O)Nc1cccc(OC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 78989457 ABSCKOLRDORZGB-CYBMUJFWSA-N 437.522 1.841 0 40 IDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)N3CCNC3=O)c2)C1 104860091 YHPACABNPXGZGJ-RBSFLKMASA-N 437.518 1.450 0 40 IDAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H]4Sc5[nH]c(=O)sc5[C@H](c5ccco5)[C@@H]34)[C@@H]2C1=O 169683306 VEAZGPPZOQXRGA-WGNYCGLPSA-N 432.479 1.587 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 225200849 YNBPQXJLRBFWTC-KRWDZBQOSA-N 432.546 1.463 0 40 IDAB CCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC(c4cc5nc(C)cc(O)n5n4)CC2)[C@H]3C1=O 253600314 NIENPJNOIYYWJU-LOODEUFTSA-N 437.500 1.251 0 40 IDAB COC(=O)COc1c(I)cc(/C=C2/NC(=O)N(C)C2=O)cc1OC 409188739 FZLLTXRTBXNHQA-BJMVGYQFSA-N 446.197 1.374 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](CCSC)n2c(O)nc3ccccc3c2=O)CC1 524732586 QJYOBNHLNFZODD-INIZCTEOSA-N 434.518 1.697 0 40 IDAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NC[C@@H]1CCS(=O)(=O)C1 524734222 KOFAQLCNPADDLU-XOBRGWDASA-N 439.493 1.352 0 40 IDAB Cc1c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)nnn1Cc1ccncc1 1641393953 ZSAIMPLMSMXBDA-MOPGFXCFSA-N 436.472 1.740 0 40 IDAB CCn1nc(C)c(S(=O)(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5CC)C[C@H]3C2)c1C 2087065705 AKOLKTDJDOGVDP-HOTGVXAUSA-N 444.565 1.436 0 40 IDAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(N)=O 1611503 KQTNXKRURVWGGU-XMSQKQJNSA-O 431.516 1.354 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNCCCN2CCOCC2)c1 5979290 BPGUAQGBOXAQIP-UHFFFAOYSA-N 426.583 1.276 0 40 IDAB O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9083321 PHBWBIHFJTWWCD-UHFFFAOYSA-N 434.503 1.248 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)sc(C)c1CC 9172550 YEAHQTGTLOIMAT-UHFFFAOYSA-N 439.490 1.608 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(NCCCOC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 9291976 OFNSFPGSPOSNCI-INIZCTEOSA-N 445.520 1.399 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccccn1 9420666 KLZOXINPFXLGIU-CQSZACIVSA-N 436.921 1.891 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccnn2Cc2ccccc2)c1 9822202 SEGGIEJOJFCKME-UHFFFAOYSA-N 443.529 1.762 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cn4ccc(C)cc4n3)CC2)c1 9889942 CFXMOLSGXZXAAD-UHFFFAOYSA-N 444.513 1.807 0 40 IDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCN(c2ccccc2F)CC1 10233904 NQKDURIRZBVTOP-UHFFFAOYSA-N 439.495 1.254 0 40 IDAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)c1 11904664 UXJNNRULLDXXNC-UHFFFAOYSA-N 438.483 1.649 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 12085620 NOHGGWNNNDOYBP-QHCPKHFHSA-N 442.516 1.352 0 40 IDAB COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(C(=O)c2ccco2)CC1 13504258 CAANFJIOPGCCCF-IBGZPJMESA-N 426.477 1.469 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1=O 14022222 NUVBQWJKGIPKER-NRFANRHFSA-N 441.488 1.216 0 40 IDAB O=S(=O)(c1cccc(CSc2nnnn2C[C@H]2CCCO2)c1)N1CCOCC1 14200570 SFTQMANPOXOYLL-OAHLLOKOSA-N 425.536 1.165 0 40 IDAB Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 16010029 NWPDCQTUHRNAIP-SKGWCBBHSA-N 444.919 1.577 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 16692415 UNOFAJQMIURRQN-UHFFFAOYSA-N 447.941 1.660 0 40 IDAB NC(=O)C1CCN(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19406641 IMQZEASHJRWNCR-KRWDZBQOSA-N 429.546 1.749 0 40 IDAB CCOC(=O)c1sc(NC(=O)CNCCN2CCOCC2)c(C(=O)OCC)c1C 21540765 HPODDOPAONWRLH-UHFFFAOYSA-N 427.523 1.270 0 40 IDAB CN1CCN(CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)CC1 22829749 MYGIFBVGYFNIDI-UHFFFAOYSA-N 437.393 1.513 0 40 IDAB O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NC(=O)c1cccs1 23220372 ZMVVLJJTUJTCMV-HNNXBMFYSA-N 436.511 1.791 0 40 IDAB CCN(CC)C(=O)c1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 23657616 AHMYSKADUMVYPU-INIZCTEOSA-N 434.518 1.273 0 40 IDAB COc1ccc(C(=O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1OC 37866244 BFEWQUYRXOPUSK-UHFFFAOYSA-N 437.250 1.096 0 40 IDAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCN(S(C)(=O)=O)CC3)c2)c1C 58248311 BGTQOTFCWXMWHH-UHFFFAOYSA-N 435.506 1.467 0 40 IDAB CCOC(=O)c1cccc(NC(=O)CN2C(=O)S[C@@H]([C@H]3SC(=O)NC3=O)C2=O)c1 65090522 DQRAAQANZDULDF-NEPJUHHUSA-N 437.455 1.217 0 40 IDAB CCN1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 72339109 PUGIRCRHHJYSCK-RTCJPFEHSA-N 426.561 1.695 0 40 IDAB CS(=O)(=O)c1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO 79023470 UYDUMGAPMKQDRG-ZYHUDNBSSA-N 433.324 1.458 0 40 IDAB Cc1cc(C(=O)N2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCN(C)C)[C@H]3CC2)no1 96145925 NHPWGVNAMXRFFG-ROUUACIJSA-N 448.545 1.601 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCCN(c2ccc(OCC)cc2)S(C)(=O)=O)CC1 222617794 WCGWKPNZEMLCSD-UHFFFAOYSA-N 441.550 1.932 0 40 IDAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1 224285607 WEENOATVPZTBME-UHFFFAOYSA-N 447.557 1.972 0 40 IDAB CSCC[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 247538429 RHYOENXZKCWYKI-IZQWYQFCSA-N 449.960 1.993 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(Br)o2)CC1 253407992 WZSXYRUYQWESKY-UHFFFAOYSA-N 445.339 1.929 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCCN1CCOCC1 408702199 LJASQWJABITQFV-UHFFFAOYSA-N 439.578 1.568 0 40 IDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(I)c3)C(=O)[C@H]12 409277505 AQRCUTRPJFKMNR-VWPFQQQWSA-N 439.205 1.667 0 40 IDAB O=C1NC(=O)C2(CCC(NC(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)CC2)N1 561376858 MYIDRDSLHPMSNX-UHFFFAOYSA-N 438.484 1.866 0 40 IDAB COCCn1nc([C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n(C2CC2)c1=O 585233840 QXHTWYFIJCSMAL-CQSZACIVSA-N 425.511 1.199 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(Cc1nccn1C)C2 1549168648 XJWHRTWRXAUORC-OAQYLSRUSA-N 437.544 1.481 0 40 IDAB C[C@]1(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)OCCc2sccc21 1629053127 DTGAWVGBURJAGP-QXATTWAWSA-N 432.517 1.996 0 40 IDAB O=C(Nc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363888 UKOLBCSKCQWWMQ-CQSZACIVSA-N 430.465 1.841 0 40 IDAB CCOC(=O)C(CC1=CS(=O)(=O)c2ccc(Cl)cc21)(NC(C)=O)C(=O)OCC 1562471 UPFVBCKIQDGKQH-UHFFFAOYSA-N 429.878 1.859 0 40 IDAB COC(=O)C(C(=O)OC)[C@H](c1ccccc1)C(Br)(C(=O)OC)C(=O)OC 1757656 UJPXBVHKLSUSDE-LBPRGKRZSA-N 431.235 1.212 0 40 IDAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(N)=O)c1 2633704 UFNHCKMEOJHASY-UHFFFAOYSA-N 439.877 1.512 0 40 IDAB COc1ccc(NC(=O)CNc2ccccc2C(C)=O)cc1S(=O)(=O)N1CCOCC1 9127355 GLSALEOIRQTAKR-UHFFFAOYSA-N 447.513 1.969 0 40 IDAB CC1=NN(CCN2CCCCC2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 9421556 SJFYEIFRIITFGY-UHFFFAOYSA-N 435.532 1.627 0 40 IDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 9439105 BOXVOJJETRJOQB-LBPRGKRZSA-N 438.433 1.446 0 40 IDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1=O 9517113 SFHHKJHVLUJKDW-OAQYLSRUSA-N 448.545 1.910 0 40 IDAB Cc1ccc(NC(=O)COC(=O)c2nccnc2N)cc1S(=O)(=O)N1CCCCCC1 9691835 FDXNYAYOWXVIFH-UHFFFAOYSA-N 447.517 1.727 0 40 IDAB COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 9714618 ZOUTYKRZQPUJOV-UHFFFAOYSA-N 442.515 1.526 0 40 IDAB O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)cc1F 9807011 ATQLZFJZFVZOKR-LBPRGKRZSA-N 429.470 1.934 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c1 12563764 XYLHJPKKBFCPHW-UHFFFAOYSA-N 430.438 1.839 0 40 IDAB Cc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12796405 SRHNHGFESJGJOZ-UHFFFAOYSA-N 432.546 1.492 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)CC2)cc1 12806336 MLKYJZWKFHCZHI-JOCHJYFZSA-N 428.510 2.000 0 40 IDAB COC(=O)c1cnc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)s1 12895524 NVAVSLBVFDGVLJ-UHFFFAOYSA-N 428.492 1.574 0 40 IDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)c(C)c1C 13018430 UMBUWQYWEXVLMC-UHFFFAOYSA-N 434.562 1.670 0 40 IDAB O=C(CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1 13503337 BLAVWRJLOODICB-UHFFFAOYSA-N 441.509 1.903 0 40 IDAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 13513631 WRXGFMQMLNRHIX-OAHLLOKOSA-N 431.580 1.254 0 40 IDAB Cc1ccc(NC(=O)CNCCCN2CCOCC2)cc1S(=O)(=O)N1CCCCC1 13598073 HLKRTZBAGXNLDP-UHFFFAOYSA-N 438.594 1.420 0 40 IDAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O 14018251 JZOOEPIWWBHZBR-GOSISDBHSA-N 438.412 1.854 0 40 IDAB O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)O1)NN1C(=O)NC2(CCCCC2)C1=O 15224038 GQUYYCSHTVDVPT-SSZFMOIBSA-N 440.485 1.981 0 40 IDAB COCCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCCOC)[C@@H]1c1ccc(Cl)cc1 16956772 XDEMGJMCDOZVRB-WIRSXHRWSA-N 442.892 1.759 0 40 IDAB Cn1c(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc(=O)n(C)c1=O 19288689 BTZKCJSMMBXANL-NSHDSACASA-N 435.406 1.999 0 40 IDAB O=C1CCc2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2N1 19680896 IGNUHSBRDJFBQA-UHFFFAOYSA-N 429.498 1.807 0 40 IDAB COCCNC(=O)c1cc([C@H]2CCN(C(=O)Cn3nc(C)nc3C)C2)nc2ccccc12 19756907 MSRNUGUMRMXVNB-KRWDZBQOSA-N 436.516 1.835 0 40 IDAB COCCNC(=O)c1cc([C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C2)nc2ccccc12 19762483 IWTFLGRLQPIBON-QGZVFWFLSA-N 449.511 1.492 0 40 IDAB COCCN1C(=O)[C@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20757631 WDTCIIAPTUSGIT-AIFLQVKLSA-N 444.491 1.777 0 40 IDAB CN1CCN(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 22829872 JIBNCZKJMCDJMU-UHFFFAOYSA-N 443.013 1.882 0 40 IDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 25877133 FVTOTBUXEJYUIP-LJQANCHMSA-N 439.438 1.860 0 40 IDAB CCOCCn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952916 VTUZOZLPCUPRTM-UHFFFAOYSA-N 446.939 1.435 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 70924478 WRAGVFSCFMPBGB-UHFFFAOYSA-N 437.543 1.663 0 40 IDAB CCc1nnc(NC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)s1 72326847 LBJCGIXLVREFOW-FKIZINRSSA-N 428.518 1.992 0 40 IDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C[C@H](C(=O)N(C)C)[C@]2(COc3ccccc3C(=O)N2)C1 72334321 JIKDLPIBKYJSMB-DMNLGMSASA-N 442.560 1.357 0 40 IDAB O=C(NCCNC(=O)c1ccc(N2CCCCC2)nn1)c1ccc(NC(=O)C2CC2)cc1 77099899 HDJCGAOYMOSIPW-UHFFFAOYSA-N 436.516 1.975 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)cc(C)c1C 89585666 HRVMITDBZDDDQS-CVEARBPZSA-N 441.550 1.576 0 40 IDAB CC(=O)N1C[C@H]2C3(CCN(C(=O)c4ccncn4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96262407 LAJJWXPDFMSKAD-WMZHIEFXSA-N 425.533 1.580 0 40 IDAB CCCCn1c2c(c(=O)n(C)c1=O)[C@H](CC(=O)Nc1nc3c(s1)CCCC3)C(=O)N2 102493786 QOAYUWRDTJJDAJ-NSHDSACASA-N 431.518 1.747 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccccc5)[C@@H]34)[C@@H]2C1=O 217612694 GBYMFODZINXBOP-ROXILAINSA-N 442.518 1.994 0 40 IDAB COc1ccc(CN[C@@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)cn1 225406897 LMKOLTPGRDHBFU-QZTJIDSGSA-N 429.521 1.810 0 40 IDAB biogenic,in-vitro Cc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C2CC2)[C@H]4C(=O)NC2CCCC2)no1 245227634 RDQVWFSCWYQCKD-PZXYBZBISA-N 426.473 1.293 0 40 IDAB CCS(=O)(=O)N(C)CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 260825465 GLZZTOIKRJSMHB-HXUWFJFHSA-N 445.541 1.421 0 40 IDAB COc1cc([C@@H](CC(=O)N[C@H]2CCS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O 524731439 XYBBCSLUKDMCAQ-UONOGXRCSA-N 437.470 1.193 0 40 IDAB biogenic CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)co1 534425609 MMERNGRMSRCAHG-KRWDZBQOSA-N 425.482 1.472 0 40 IDAB CCN1CCN(C(=O)c2ccc(NC(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)cc2)CC1 1542494796 ACVCUTOGSVOPIY-UHFFFAOYSA-N 436.472 1.296 0 40 IDAB Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1CCNC(=O)C(=O)NCC(C)C 4554377 IXLUPQLFBVPISB-KRWDZBQOSA-N 427.542 1.956 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1OC 9037407 MURWNBWXOBYYSE-ZDUSSCGKSA-N 434.470 1.764 0 40 IDAB COc1ccc(N2C[C@@H](NC(=O)NC[C@@H]3COc4ccccc4O3)CC2=O)cc1OC 9568854 BRMBBUSAHZTZOL-GOEBONIOSA-N 427.457 1.948 0 40 IDAB Cc1cc(C)nc(SCC(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 9634458 RKTXQYZRQHVZLB-UHFFFAOYSA-N 437.543 1.950 0 40 IDAB COc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1S(=O)(=O)N(C)C 9792642 IWFGOTALPRDPCL-UHFFFAOYSA-N 439.563 1.994 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1 9905868 NMWMJZHXPOAYBP-UHFFFAOYSA-N 430.530 1.730 0 40 IDAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1 11858303 JWTKRFUBEXBZLQ-UHFFFAOYSA-N 437.499 1.821 0 40 IDAB COC[C@@H](C)N1C[C@H](C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)CC1=O 12220754 QPGROECNBSWTEC-CRAIPNDOSA-N 438.528 1.923 0 40 IDAB NC(=O)CCc1nnc(SCC(=O)Nc2ccccc2SCC(N)=O)n1C1CC1 12766824 JQYIAYDCROEJPD-UHFFFAOYSA-N 434.547 1.339 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCC(C)(C)N2CCOCC2)cc1 12976406 XFEPRCWRWOJSDT-LJQANCHMSA-N 425.595 1.915 0 40 IDAB C[C@@H](Oc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1)C(=O)NC1CCCCC1 13566674 GUQAIBWYRALAKR-QGZVFWFLSA-N 439.578 1.513 0 40 IDAB O=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N1CCN(c2ncccn2)CC1 13589804 IMVUCEVWNFCJAV-UHFFFAOYSA-N 443.573 1.910 0 40 IDAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 14141452 PKZGBRKSTZGTFT-UHFFFAOYSA-N 434.500 1.531 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)c1 14162558 SKQLOPIBRLQOME-INIZCTEOSA-N 428.507 1.250 0 40 IDAB CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 17109143 DGBYYYGBZCPLMB-UHFFFAOYSA-N 437.499 1.503 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCN(Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1 19572712 NMESQNZWBRLZEC-ZDUSSCGKSA-N 438.500 1.745 0 40 IDAB COc1ccc(F)cc1-c1ccccc1C[C@@H]1CN(S(=O)(=O)N(C)C)CCNC1=O 19583733 DMLMXPNATCQSCA-MRXNPFEDSA-N 435.521 1.898 0 40 IDAB Cc1nc([C@@H]2CCCN2CC(=O)N2CCN(c3ccc(F)cc3)CC2)ncc1C(N)=O 19756082 NQJKTLLFICWEHA-IBGZPJMESA-N 426.496 1.509 0 40 IDAB COCCN(CCOC)CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 22011444 FFCDOKAWQHNTMH-UHFFFAOYSA-N 439.578 1.345 0 40 IDAB CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 32675730 IGEXHDIOWVDPPA-UHFFFAOYSA-N 449.573 1.877 0 40 IDAB O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 45573590 XNLAJPAPVFDSNA-UHFFFAOYSA-N 441.509 1.596 0 40 IDAB Cc1nc(C)c(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)n2)s1 49030836 DMBPBPWNLKKRKC-UHFFFAOYSA-N 448.526 1.733 0 40 IDAB COC(=O)c1ccccc1N1C(=O)[C@H]2SC(N)=C3C(=O)Oc4ccccc4[C@@H]3[C@H]2C1=O 79474497 VDJYLKBQDGNOHS-INMHGKMJSA-N 436.445 1.951 0 40 IDAB COc1cccc(CCNC(=O)c2ccc3nnc([C@@H]4CCN(S(C)(=O)=O)C4)n3c2)c1 96156301 UMYYCDQLPDDVJE-MRXNPFEDSA-N 443.529 1.459 0 40 IDAB CCn1c(COC(=O)c2c[nH]c(C)n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 97102613 VKLQJUKTSSWRKA-UHFFFAOYSA-N 433.490 1.466 0 40 IDAB CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 223536456 VPMRLYPSXXHZIM-HXUWFJFHSA-N 433.530 1.403 0 40 IDAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223998320 XYJNHNRELICIBS-FFZOFVMBSA-N 441.528 1.890 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 247902709 WDTCIIAPTUSGIT-UWHHFBIGSA-N 444.491 1.777 0 40 IDAB CC(C)NC(=O)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 585106857 JSGVHKOLGMAXBX-FOXXUHHKSA-N 435.528 1.537 0 40 IDAB Cc1c(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)nnn1-c1ccc2c(c1)OCCO2 596735106 GOHWLZKCJVETLQ-JOCHJYFZSA-N 448.439 1.654 0 40 IDAB O=C1CN(C(=O)c2ccc(NC(=O)c3cc(-c4ccc5c(c4)CCO5)[nH]n3)cc2)CCN1 1565524608 LVCQJXDDBSINLO-UHFFFAOYSA-N 431.452 1.836 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccc(C)cc5)C[C@H]4C3)ncnc21 1888944388 ZEMZVGGDWIUBCT-CALCHBBNSA-N 442.545 1.538 0 40 IDAB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(c2ccccn2)CC1 2966825 WRSGSFVDJRVKAI-KRWDZBQOSA-N 434.525 1.878 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CCCC[C@@H]3C)CC2)c1 7525173 VJUYGIQBTIRLEU-INIZCTEOSA-N 425.551 1.411 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2cc(Cl)ccc2C)n(C)c1=O 9519191 JXKMXAYTLRYIRD-UHFFFAOYSA-N 431.880 1.963 0 40 IDAB CCCCn1cnc2c1c(=O)n(CC(=O)NCC(F)(F)F)c(=O)n2Cc1ccccc1 9612548 ROBKTRSQTWFHPD-UHFFFAOYSA-N 437.422 1.887 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@@H](c2ccc(C(=O)OC)cc2)n2nnnc2N1 10231899 ANRWDMLKOOROSR-GOSISDBHSA-N 449.423 1.793 0 40 IDAB Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)N[C@@H]4CCS(=O)(=O)C4)c3)ccc2[nH]1 10896741 NCENXUKCBSVQHO-OAHLLOKOSA-N 448.526 1.589 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 11025605 VNJLFCMUVDGFIN-HNNXBMFYSA-N 436.921 1.635 0 40 IDAB COCCn1cnc2c1c(=O)n(CC(=O)NCCC(C)C)c(=O)n2Cc1ccccc1 11155005 VEBHGDVXKZNNFK-UHFFFAOYSA-N 427.505 1.217 0 40 IDAB CC(C)CC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1 12401297 IZAJENFSQINQFJ-KRWDZBQOSA-N 428.342 1.537 0 40 IDAB COc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1 12444946 MFFRJUHCKPUMEH-UHFFFAOYSA-N 439.925 1.020 0 40 IDAB O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COCc2ccccc2Cl)n1 12811798 ADZQCYDMQJUQFI-OAHLLOKOSA-N 441.875 1.743 0 40 IDAB Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 12888118 HQVRXDRYQUHIOY-UHFFFAOYSA-N 441.351 1.946 0 40 IDAB COC(=O)[C@H](CCSC)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 12950280 ZOLRMWMKSGPSRS-LBPRGKRZSA-N 428.454 1.395 0 40 IDAB CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)cc1 13131559 JJGWOCRPVQWXQG-UHFFFAOYSA-N 438.937 1.217 0 40 IDAB C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 13550857 DADMNSICFCRIQG-LLVKDONJSA-N 436.310 1.547 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1 14022808 FIRVBTASNOSCFB-HNNXBMFYSA-N 437.543 1.682 0 40 IDAB O=c1c2c(nc3sc(SCCN4CCOCC4)nn13)CCN(C[C@H]1CCCO1)C2 15414115 OXIMROOXNIFNIS-CQSZACIVSA-N 437.591 1.112 0 40 IDAB COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1 15935818 XNEHAXPAIMEKSG-PMERELPUSA-N 428.474 1.305 0 40 IDAB C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 15959888 ZDZLHYCCYICKBX-RABSLMHOSA-N 439.899 1.684 0 40 IDAB biogenic O=C(C1CCOCC1)N1CCc2nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)nc(O)c2C1 19014489 PFEVNYMMMFQRFH-IBGZPJMESA-N 444.532 1.379 0 40 IDAB CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccc4c(c3)OCCO4)C1)C2=O 19699899 WYWZXUOPENQTBY-KRWDZBQOSA-N 442.516 1.469 0 40 IDAB Cc1c(C(=O)N2CCO[C@H](c3c(C(=O)N(C)CCO)sc4ncccc34)C2)cnn1C 19703000 MDGRECIZTALHOJ-INIZCTEOSA-N 443.529 1.616 0 40 IDAB O=C(CN1CC[C@H]2NC(=O)CCC[C@H]21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 19713262 YPSARXAYMGCBTE-RTBURBONSA-N 434.562 1.543 0 40 IDAB Cc1nc([C@H]2CCCN(C(=O)CCN3CCOCC3)C2)nc2c1CCC(=O)N2CC1CC1 19741330 ORYPINOHCJSHPS-IBGZPJMESA-N 441.576 1.903 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(CN3C(=O)C(=O)N(C4CCCC4)C3=O)CC2)cc1 23717772 MMLURKRMRIXYAL-UHFFFAOYSA-N 448.545 1.382 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)c1 24671601 NIYQJXUSGJFCDB-UHFFFAOYSA-N 449.485 1.449 0 40 IDAB CN(C)C(=O)CN1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)CC1 32824278 VIMHXKJDNDIGNH-UHFFFAOYSA-N 446.573 1.083 0 40 IDAB CCOc1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(OCC)c1OCC 32942968 GRJNLWRVUMVWJH-CQSZACIVSA-N 429.491 1.343 0 40 IDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 35413777 RHDDNCKIPBNYPD-HNNXBMFYSA-N 448.570 1.818 0 40 IDAB CC(=O)N1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3cc(Br)ccc23)CC1 36353311 OVTAJQDPZLOQGB-QGZVFWFLSA-N 438.278 1.778 0 40 IDAB Cc1ccc(N2N=C(C(=O)NC3CCN(S(C)(=O)=O)CC3)CCC2=O)cc1Cl 36396936 JVAKRCXTBFGDAY-UHFFFAOYSA-N 426.926 1.671 0 40 IDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1cc(Cl)ccc1-n1cncn1 40158975 KNNFNCQOPFDARY-UHFFFAOYSA-N 438.831 1.850 0 40 IDAB CCN(C)C[C@@H]1CCN(c2nc(NCCOC)nc(N3CC[C@H](CN(C)CC)C3)n2)C1 79102977 MYTIRILVWUEGQR-KDURUIRLSA-N 434.633 1.486 0 40 IDAB COc1ccc(CN2C[C@@]34CN(C(=O)Cc5ccccc5)C[C@@H](C[C@@H]3S2(=O)=O)O4)cc1 96145960 LQQJUTIGGZQYOA-GIWBLDEGSA-N 442.537 1.822 0 40 IDAB CCc1c(C)nc2cc([C@H]3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nn2c1O 100138375 IOAYLWYSYDFGSD-INIZCTEOSA-N 449.577 1.683 0 40 IDAB CC(C)(C)NC(=O)[C@H]1N(C2CC2)C(=O)[C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)[C@H]3C=C[C@@]21O3 100432199 GXSVIIIAPAWTCO-HUIKVJECSA-N 441.503 1.670 0 40 IDAB CC(C)CNC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 101475758 RIZGEOSPNTUPQG-IYBDPMFKSA-N 427.542 1.799 0 40 IDAB CN(C[C@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCNC(=O)c1cccnc1 257308852 TYKGAGDEWBDKSQ-XMMPIXPASA-N 448.527 1.635 0 40 IDAB Cn1cc(CN2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 306124753 BYLGXIMLFWVFCW-MOPGFXCFSA-N 425.514 1.651 0 40 IDAB COc1ccc(CC(=O)NCCn2cc(-c3nc(-c4ccccn4)no3)nn2)cc1OC 390828049 NYCVCDNIUKGLCP-UHFFFAOYSA-N 435.444 1.766 0 40 IDAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O 408661895 WJHFGEXGGLSPRT-MRXNPFEDSA-N 439.468 1.987 0 40 IDAB O=C([C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)N1CCC[C@H](N2CCNC2=O)C1 525583387 WLBUPPCUBPRLQZ-ROUUACIJSA-N 445.589 1.954 0 40 IDAB COc1ccccc1-n1c(O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[nH]c1=O 2103197 QTPRJQCZWHVTKU-MRXNPFEDSA-N 426.381 1.517 0 40 IDAB biogenic O=C(N[C@H]1CO[C@@H]2[C@@H](n3nnnc3-c3ccc4c(c3)OCO4)CO[C@H]12)C1CCCCC1 4270560 UVEJZBWZNBAGNL-ILRDRHFLSA-N 427.461 1.473 0 40 IDAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCC(C(=O)OC)CC2)c1 6839655 NQFBMTMYHRVVGM-UHFFFAOYSA-N 425.551 1.849 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)NC(=O)NC2CCCCC2)CC1 8944453 GOIZRQGFCOLDNM-UHFFFAOYSA-N 441.554 1.146 0 40 IDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1cc2c(cc1OC)C[C@H](C)O2 9223366 CWIMTYJHHZATDP-WVBURXTLSA-N 436.530 1.184 0 40 IDAB O=C(COc1ccccc1F)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569905 NBMYMDVGLWLUGL-UHFFFAOYSA-N 439.484 1.612 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)COc2ccc(C)cc2)CC1 9570170 BHJNTEVHGLXWNZ-UHFFFAOYSA-N 447.557 1.651 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccncc1 9715271 SJHRNMDTLTXJBB-SFHVURJKSA-N 448.520 1.587 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCc2ccco2)cc1 9745214 VNYWJOPUQIFDMT-KRWDZBQOSA-N 433.530 1.954 0 40 IDAB NS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 10021141 BEXHRBYUCQMRPX-UHFFFAOYSA-N 437.905 1.493 0 40 IDAB Cc1cccc(C(=O)NCCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 10661072 PKJQMMMOIKRZQS-UHFFFAOYSA-N 434.518 1.253 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCn2nc(-c3cccnc3)ccc2=O)cc1 11745614 GSAFVGCHQSQUCL-UHFFFAOYSA-N 441.513 1.376 0 40 IDAB COc1ccc(-n2nnnc2SCC(=O)N(CCC(N)=O)Cc2ccccc2)cc1 12797345 CQBBGZFUEYMEPY-UHFFFAOYSA-N 426.502 1.667 0 40 IDAB CCOC(=O)C1=C(COC(=O)CCc2c(C)nc3cc(C)nn3c2C)NC(=O)N[C@H]1C 13127423 IXACLKVANIRHKU-ZDUSSCGKSA-N 429.477 1.649 0 40 IDAB COc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1OCC(=O)N1CCOCC1 13146546 RRLMLRNXWXMOMB-HXUWFJFHSA-N 441.528 1.966 0 40 IDAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H]3C=CS(=O)(=O)C3)CC2)cc1 13689754 ZUCVYEBWIGKQGX-GPANFISMSA-N 442.559 1.207 0 40 IDAB Cc1ccc2c(c1)[C@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15959798 ZELGVVJNMXXSOY-BINBFKAUSA-N 446.507 1.224 0 40 IDAB biogenic C[C@@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)N1C(=O)c2ccccc2C1=O 18764659 FDHCCEMIZGOBHX-KBPBESRZSA-N 435.436 1.978 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c(-c2cccnc2)n1 19290304 LYVZTQYDZYRPLX-UHFFFAOYSA-N 443.504 1.697 0 40 IDAB O=C(CN1CCC(N2CCCC2)CC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292002 NCILWQPQTZMULX-IBGZPJMESA-N 427.593 1.846 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 19527231 FLEBKTDYCMBGPX-HXOBKFHXSA-N 428.533 1.427 0 40 IDAB CC(C)C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699668 AEGLLAIDJXTTCB-GOSISDBHSA-N 426.517 1.860 0 40 IDAB COc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1NC(C)=O 20033314 AIGILCSHTYSDGJ-UHFFFAOYSA-N 441.531 1.382 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1OC 22796371 JNFKPNBBQHKNQT-LJQANCHMSA-N 444.507 1.886 0 40 IDAB CN1[C@@H](CCC(=O)NCc2cccs2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccc(O)cc1 22923084 UCURGINBTDCZID-WEYGHZABSA-N 442.585 1.923 0 40 IDAB biogenic,in-vitro O=C1CN(c2ccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)cn2)CCN1 27268910 IQOGJRJWBPYJDH-UHFFFAOYSA-N 435.528 1.828 0 40 IDAB Cc1cc(C)c2c(c1)[C@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 35363876 RPQFRVHPUSVADI-IFDTWAIBSA-N 433.508 1.647 0 40 IDAB biogenic O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NC[C@H]1CCCO1 61720346 NAUZVNBJTNKFQV-GOSISDBHSA-N 431.924 1.519 0 40 IDAB Cn1c(CNC(=O)c2ccc(Cl)c(I)c2)cc(=O)n(C)c1=O 72311328 TZFMGUJWASCEQE-UHFFFAOYSA-N 433.633 1.272 0 40 IDAB CCOC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccn(CC)n3)c(=O)n12 103691729 ROQWYKIZHBRCMY-GXWKSMBTSA-N 438.509 1.466 0 40 IDAB COC(=O)C1CCN(C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 222673923 UJJZNVZRWNCMJM-UHFFFAOYSA-N 440.518 1.416 0 40 IDAB COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524731316 SGSJMSGRGVYFNL-INIZCTEOSA-N 444.440 1.043 0 40 IDAB biogenic O=C1CCCN1c1cc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)ccn1 575620905 WKJXFSTUUJNYLI-UHFFFAOYSA-N 428.470 1.340 0 40 IDAB COCC(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 604381042 CNDUNNCWEDSUQL-MRXNPFEDSA-N 429.439 1.329 0 40 IDAB biogenic,in-vitro Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@H](O)COc1ccc2ccccc2c1 678532 JRLVWXKNAUFMHF-ZDUSSCGKSA-N 445.273 1.779 0 40 IDAB biogenic COc1ccc(C(=O)COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1OC 3450919 OEBVXVHTOFATFL-UHFFFAOYSA-N 432.454 1.559 0 40 IDAB O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 4373126 RDDJSRYWWUTECM-SFHVURJKSA-N 436.555 1.891 0 40 IDAB CO[C@@H]1O[C@@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H](OC(=O)Nc2ccccc2)[C@H]1O 5063455 WZZMKLDDQSFZBY-BRIYLRKRSA-N 432.429 1.946 0 40 IDAB Nn1c(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F 8878890 JDARESWBYCPPQA-JTQLQIEISA-N 427.474 1.061 0 40 IDAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)n2)cc1 9375902 LZFMFFHEJYMJKO-LJQANCHMSA-N 425.514 1.864 0 40 IDAB CCCCCCn1nc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 9492482 QKFFOIFRWWEOLZ-OAHLLOKOSA-N 449.529 1.437 0 40 IDAB CC(=O)Nc1ccc(CC(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 9643818 OENSEQYALYBDSD-FQEVSTJZSA-N 444.509 1.951 0 40 IDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 10054487 PSNCMJDEBNVODJ-CYBMUJFWSA-N 432.488 1.836 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@H]3C(=O)Nc4ccccc4C(=O)N[C@@]3(C)C2)cc1F 12232024 SZMMIJLDNYHUPE-XOBRGWDASA-N 433.461 1.596 0 40 IDAB Cc1ccc(-n2nnnc2SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1C 12525761 KXPBOYIBALFZEY-UHFFFAOYSA-N 426.506 1.209 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC 12569448 DDEFJHHJRVDANA-OIPACUDHSA-N 426.535 1.802 0 40 IDAB COc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)NC1CC1 13164403 ZUVGUIJULAQQQE-UHFFFAOYSA-N 442.497 1.645 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)COc2ccc(OCC)cc2)c(=O)[nH]c1=O 14624287 ZEXYBSWRJBNGRN-UHFFFAOYSA-N 434.493 1.376 0 40 IDAB CC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 15091463 PZDNPIMQUCLUPD-UHFFFAOYSA-N 427.954 1.868 0 40 IDAB CN(C)c1ccc(C(=O)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCCCC4)N3C2)cc1 15708518 VTRAILWNHIYMPV-TYPHKJRUSA-N 441.576 1.216 0 40 IDAB biogenic,in-vitro COc1c(Br)cc(Br)cc1CNCCNC(=O)c1nonc1N 16194481 FQXCNJDUIAFDIJ-UHFFFAOYSA-N 449.103 1.705 0 40 IDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4nn(C)cc4-c4ccno4)[C@H]3C2)cc1 19211780 OXXZROHBMNSEEN-HFTRVMKXSA-N 441.513 1.823 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3F)C1)C2=O 19699696 ZBJWJDHNXAWSCG-KRWDZBQOSA-N 444.507 1.682 0 40 IDAB CCN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(OC)cc2)c2cccnc2)CC1 22457158 WUEVTZYSYFSWTO-OAQYLSRUSA-N 425.533 1.201 0 40 IDAB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCN(C)CC2)cc1 22795254 LSZJDNXSZAOCRX-QFIPXVFZSA-N 440.544 1.425 0 40 IDAB C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 32810659 QPOZADXRVGWPDV-MRXNPFEDSA-N 433.505 1.867 0 40 IDAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 32882283 FBQGCWJBYNMLMO-QHCPKHFHSA-N 434.452 1.905 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 35597104 FPKRAPILYUXANU-UHFFFAOYSA-N 442.497 1.768 0 40 IDAB CCc1ccc([C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)N(C)C)cc1 40058504 BOFUJVRDPAKNFH-IBGZPJMESA-N 425.576 1.738 0 40 IDAB CCN1CCN(c2ccc(CNC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)cn2)CC1 48288266 XJHCGOZLLZAMDS-UHFFFAOYSA-N 442.564 1.485 0 40 IDAB CC1(C)NC(=O)N(CCC(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3)c2)C1=O 72351793 IBIWJQCPOAXHTA-FQEVSTJZSA-N 448.523 1.944 0 40 IDAB O=C(NCCCN1CCOCC1)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 85420794 ZBDPUCXJZDSDJN-MDPIYQRISA-N 431.920 1.465 0 40 IDAB O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95478034 XKGFODKDPVMJSW-GFCCVEGCSA-N 436.310 1.127 0 40 IDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCn1c(S)nnc1-c1cccc(C)c1 95992824 OPLXGBXEEFDWOW-INIZCTEOSA-N 447.561 1.752 0 40 IDAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225082919 BHBQSWJDAGUYKC-UHFFFAOYSA-N 431.470 1.517 0 40 IDAB Cc1cccc(N2C(=O)[C@@H]3[C@@H](C(=O)NC4CC4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCC2)c1 245230578 URIUFZZOHPBRSB-PHGOAHNDSA-N 435.524 1.987 0 40 IDAB COc1ccc2nc(CN3CCN(c4ncc(Br)c(OC)n4)CC3)[nH]c2n1 546932876 OFHGSYXGNRLYDH-UHFFFAOYSA-N 434.298 1.850 0 40 IDAB NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)N1CCN(c2ccccc2F)CC1 1848353996 BMDGDEXEFCHUER-QFIPXVFZSA-N 439.535 1.146 0 40 IDAB CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N(C)C 5542178 GRETYSXPUXVOFK-LSDHHAIUSA-N 446.614 1.368 0 40 IDAB CC(C)NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 9302859 RNDUPLMKFIQOKU-UHFFFAOYSA-N 439.563 1.123 0 40 IDAB CCOc1ccc([C@@H](C)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OCC 12729639 GQGMOWMWNPBLFE-CYBMUJFWSA-N 429.477 1.109 0 40 IDAB COc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1S(=O)(=O)N1CCOCC1 12871406 OGWVGDLVOYXRBO-UHFFFAOYSA-N 449.529 1.267 0 40 IDAB O=C(CN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCCC1 13503311 HMJOKZILSSWXCX-SFHVURJKSA-N 437.562 1.421 0 40 IDAB COc1cc(OC)cc([C@H]2C[C@@H](OC(=O)Cn3ncc4ccccc4c3=O)C(=O)N2C)c1 13566049 BADQUUIKMHJQJZ-WOJBJXKFSA-N 437.452 1.929 0 40 IDAB O=C(N[C@@H]1C=CS(=O)(=O)C1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 13692077 OXJJHGXTIMWYAZ-ZBCRRDGASA-N 446.978 1.852 0 40 IDAB O=C1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CN1Cc1ccccc1 16695074 SQTOYNZHPWFUFT-UGKGYDQZSA-N 449.507 1.546 0 40 IDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)Cc1n[nH]c(=O)c3ccccc13)CC2 19528301 VMUXVRZGQXLQGP-UHFFFAOYSA-N 432.484 1.449 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 19913557 DCBROZVEWLQTSP-FQEVSTJZSA-N 435.480 1.953 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)CC1 22230112 KUBFJINCBCQVSM-KRWDZBQOSA-N 439.534 1.457 0 40 IDAB O=CN1CCN(C(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 26113410 APBGUBCIXNNGFJ-HXUWFJFHSA-N 429.498 1.085 0 40 IDAB COCCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O 32070328 PEEWTYAKNGVKEQ-UHFFFAOYSA-N 431.470 1.432 0 40 IDAB Cc1cccc2c(=O)n(CCCC(=O)OCCOc3ccc(S(N)(=O)=O)cc3)cnc12 32850639 KHKDEFOHGZTPKW-UHFFFAOYSA-N 445.497 1.755 0 40 IDAB COc1cc2ncn(CC(=O)N[C@H](C)C(=O)Nc3nc(C)cs3)c(=O)c2cc1OC 36589779 ATLCQVUUURZMOK-LLVKDONJSA-N 431.474 1.322 0 40 IDAB biogenic CC(=O)N1c2ccc(S(=O)(=O)NCCOc3cc(N4CCCC4)ncn3)cc2C[C@H]1C 36708033 GNGILPPNXJOMAS-OAHLLOKOSA-N 445.545 1.732 0 40 IDAB CS(=O)(=O)N1CCC(CNC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 58438941 ROHAIGMFPSHLFH-UHFFFAOYSA-N 446.367 1.357 0 40 IDAB COC(=O)c1ccoc1CN1CCN(Cc2occc2C(=O)OC)[C@H](C(=O)N(C)C)C1 79103757 BBHRDWVHZTZFOD-INIZCTEOSA-N 433.461 1.220 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 89914327 MVESYMXOURTZST-NRFANRHFSA-N 425.397 1.592 0 40 IDAB CC(=O)Nc1ccc(OC[C@@H](O)CN(CCO)S(=O)(=O)c2ccc(Cl)cc2)cc1 95117089 LVYZUEOTNJNJAO-KRWDZBQOSA-N 442.921 1.721 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)/N=c3\cc[nH]n3[C@@H](C)C3CC3)c2)CC1 101442902 AKTSTBCYFFXNFM-OZZWHHLJSA-N 445.545 1.381 0 40 IDAB C[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccccc1)S(C)(=O)=O 224716095 CLZCCZRCRDXLFI-GOSISDBHSA-N 431.558 1.990 0 40 IDAB COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)CC1 408619346 HJTRCKAESRQBHK-UHFFFAOYSA-N 435.521 1.945 0 40 IDAB COc1cccc(-c2cc(C(=O)N3CCN(c4ccc(-n5cncn5)nn4)CC3)n(C)n2)c1 575609976 DNIPRDPNGZJXAP-UHFFFAOYSA-N 445.487 1.429 0 40 IDAB COc1cc(CNC[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)cc(OC)c1 585283272 DVJAEVKMMKYQMY-LADGPHEKSA-N 428.529 1.751 0 40 IDAB COC(=O)[C@H](Cc1ccncc1)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 1561598601 PMPJQIKDUFMFNW-SFHVURJKSA-N 433.486 1.106 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H]2CN(CC3CCOCC3)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772595877 QHBPNRCLVSKYJO-GIWBLDEGSA-N 427.545 1.785 0 40 IDAB Cc1cc(N2C[C@@H]3CN(C(=O)C[C@H]4CSc5nc(C)c(C)c(=O)n54)C[C@H]3C2)ncn1 1889404706 MWCLIBCNZWUWPP-ZACQAIPSSA-N 426.546 1.590 0 40 IDAB C[C@@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 2649741 RUPYMWVDZAPVJJ-GFCCVEGCSA-N 428.397 1.487 0 40 IDAB O=C(O)COCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)Cc3ccccc3)c(=O)n1C2 4237054 PIYMSMAXZJPICK-DLBZAZTESA-N 439.468 1.076 0 40 IDAB biogenic,in-vitro Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCC(C)C)ccc1F 4554313 RFWLWMRFSYCODN-MRXNPFEDSA-N 427.542 1.956 0 40 IDAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cccs1 8684568 UTWAMZSGLRNSST-AWEZNQCLSA-N 443.934 1.181 0 40 IDAB CSCC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NC(C)C 9184337 CWXDBPZHXNPUCW-WMZOPIPTSA-N 441.619 1.850 0 40 IDAB COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)c1 9591489 BFQUODFJWVDTJK-INIZCTEOSA-N 426.425 1.623 0 40 IDAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1OC 12029800 XZAVVBKEMGITBM-INIZCTEOSA-N 439.511 1.917 0 40 IDAB Cc1cc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)no1 12187828 SMAILUAZLJQJDB-GOSISDBHSA-N 432.502 1.840 0 40 IDAB COC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)n2N)cc1 12348269 SLUXYOJFJVFGJH-UHFFFAOYSA-N 439.497 1.769 0 40 IDAB C[C@]1(CSc2ccccc2C(=O)N2CCN(Cc3ccncc3)CC2)NC(=O)NC1=O 12563771 HTSUETVGFDMHDB-JOCHJYFZSA-N 439.541 1.730 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(CCNS(C)(=O)=O)s1)C2=O 12813050 NSQVMZZEIWPYIX-XIKOKIGWSA-N 427.548 1.523 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(-n2cnnn2)cc1 12994416 XOKXHMAALDFQOZ-QGZVFWFLSA-N 429.506 1.107 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC2CCCCCC2)cc1 13375889 CEGINCNJRQNKAQ-OALUTQOASA-N 428.576 1.897 0 40 IDAB COc1ccc(C)cc1N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(C)(=O)=O 13566744 OCULTYBKVYSOEP-UHFFFAOYSA-N 432.502 1.599 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C(=O)C3CC3)CC2)Cc2ccco2)cc1 14083469 ABRBIGYKEIJYJN-UHFFFAOYSA-N 445.541 1.860 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnnn1C 15180933 XIWLGQHSGJCPNI-UHFFFAOYSA-N 426.524 1.124 0 40 IDAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCN(C(C)=O)CC1 15421114 DBSMQTJKKUFZAF-UHFFFAOYSA-N 443.525 1.751 0 40 IDAB Cn1c(=O)c2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n(C)c2n(C)c1=O 15882248 PPCDJHHYYFLMJW-UHFFFAOYSA-N 427.408 1.720 0 40 IDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)n1 16753836 BTWSZTVPJLFHEH-CYBMUJFWSA-N 443.934 1.363 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(S[C@H](C(=O)N(C)C)c3ccccc3)nc2)CC1 17934840 GTQOPSOKCCWJTD-IBGZPJMESA-N 434.587 1.939 0 40 IDAB C[C@@H]1C[C@@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 19699426 MNBMMYVBOXMGQF-APWZRJJASA-N 438.528 1.860 0 40 IDAB CN(Cc1cc(N(C)C)nc([C@@H]2CCCN2C)n1)C(=O)Cc1ccc(S(C)(=O)=O)cc1 19710750 LPDVTJJVCSAWSJ-IBGZPJMESA-N 445.589 1.914 0 40 IDAB COc1ccc(C(=O)N2CCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1N1CCOCC1 19756013 AQEMGYDUAKKIPG-KRWDZBQOSA-N 425.489 1.706 0 40 IDAB CNC(=O)c1cnc([C@@H]2CCCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C2)nc1C 19763589 WVZZWAGHSKSSIJ-MRXNPFEDSA-N 430.530 1.497 0 40 IDAB CC(C)CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C 20533290 AGUUKKXWABRVBZ-UHFFFAOYSA-N 442.520 1.031 0 40 IDAB in-vitro O=C(CCN1CCN(C(=O)CN2CCOCC2)CC1)Nc1cc(Cl)ccc1Cl 22277929 OJFBYKFRBJHQOI-UHFFFAOYSA-N 429.348 1.798 0 40 IDAB CCN1C[C@@H](CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)Oc2ccccc21 23847162 UYTFQXTZHDLCGN-GOSISDBHSA-N 445.589 1.741 0 40 IDAB Nc1nccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 32879005 BVESJFUQRCVOPY-UHFFFAOYSA-N 432.325 1.030 0 40 IDAB CCOC(=O)CCCNC(=O)CN1CCN([C@H](C(=O)OC)c2ccccc2Cl)CC1 32909345 BDPLZDJWFJIYLL-FQEVSTJZSA-N 439.940 1.631 0 40 IDAB COc1ccc(OC)c2sc(N(C[C@@H]3CCCO3)C(=O)CN(C)S(C)(=O)=O)nc12 38840396 SDKFASFLABCYGZ-LBPRGKRZSA-N 443.547 1.717 0 40 IDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 38908041 FDXWATLYSDYUCX-UHFFFAOYSA-N 425.514 1.395 0 40 IDAB COC(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 40143800 OIMJWGQCTVZKFU-UHFFFAOYSA-N 429.498 1.504 0 40 IDAB COC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@@H]1c1cccs1 57416033 REVGCRZLTFSRNQ-QGZVFWFLSA-N 430.486 1.580 0 40 IDAB CC(=O)NCCN(CC(=O)Nc1ccc2c(c1)OCCCO2)[C@H](C)C(=O)OC(C)(C)C 96004586 OHANFOVOAGXPDY-OAHLLOKOSA-N 435.521 1.955 0 40 IDAB CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@@H]23)[C@@H]14)[C@H]5[C@H]6OC(C)=O 108277226 ZEBMMHUDQRRILP-SIFUSSHNSA-N 449.588 1.448 0 40 IDAB biogenic COc1ccc(CNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c(OC)c1OC 219440751 SLAKXBWSDPRQIP-UHFFFAOYSA-N 448.497 1.954 0 40 IDAB C[C@H](C(=O)N1CCC[C@@H](O)C1)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 253372529 FSAGMQWYAHJCAK-MFLXSWDHSA-N 434.924 1.576 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCCN(C[C@@H]4CC=CCC4)C3)nc(O)c2C1 257225792 FHVUGNNLWAADPR-SJORKVTESA-N 435.594 1.882 0 40 IDAB CCN1CCN(C(=O)CNS(C)(=O)=O)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257237133 HFHUXUAWPBHNRY-IBGZPJMESA-N 444.557 1.147 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)CC1 408705324 CCCRFASREBALGT-UHFFFAOYSA-N 426.491 1.373 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 408713592 IVJPGTVBXSIQCW-AWEZNQCLSA-N 435.477 1.973 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C(N)=O)CC3)C2)cc1Cl 409392689 SUOMMFJQGOGKRF-CQSZACIVSA-N 443.953 1.473 0 40 IDAB CCC(=O)N(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 842632 ADOSLXNNYZTMQB-GOSISDBHSA-N 445.497 1.413 0 40 IDAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C 880945 SRVHDHUJAAPANH-UHFFFAOYSA-N 445.501 1.346 0 40 IDAB COc1cccc(/C=c2\sc3nc(=O)c(Cc4ccc(OC)c(OC)c4)nn3c2=O)c1 1450165 WFZXINJMFNHMOO-UNOMPAQXSA-N 437.477 1.676 0 40 IDAB Cc1cccc(OC[C@@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 6442919 LCEGVKWRPKVAFI-KRWDZBQOSA-N 441.532 1.562 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCCCC1)OCO3 6445200 ZRNVWJMCEYFMAK-QRWLVFNGSA-N 438.488 1.998 0 40 IDAB COc1ccc([C@@H](CNC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)N2CCCC2)cc1 8895481 DGNSLTXMWAVFCK-HXUWFJFHSA-N 449.511 1.457 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)sc2c1CCC2 9167628 SATJLLPTKUXGHK-UHFFFAOYSA-N 437.474 1.226 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9547653 WWLWFVDRBGUAOT-NSHDSACASA-N 432.458 1.323 0 40 IDAB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)NCc1ccc2c(c1)OCO2 9907262 NOSWQUHBPAKMJU-UHFFFAOYSA-N 429.448 1.536 0 40 IDAB CCNC(=O)[C@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 11410625 VXWLCYFCCDCUNO-ZDUSSCGKSA-N 425.532 1.593 0 40 IDAB Cc1cccc(C(=O)N[C@H](C(=O)OCC(=O)NCC(C)(C)N2CCOCC2)C(C)C)c1 11762182 HJGUJMWOHQXZCV-FQEVSTJZSA-N 433.549 1.520 0 40 IDAB NC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 13041137 APSUFAAXGQTTRH-UHFFFAOYSA-N 438.456 1.009 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1=O 13069923 CMVDLZXZDWTOHZ-UTKZUKDTSA-N 435.546 1.515 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 13100172 PFZPCOYJEPDTEZ-OAQYLSRUSA-N 442.497 1.583 0 40 IDAB O=C(NC[C@@H](O)c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 13628686 RMVAALSXGRNPDM-DOTOQJQBSA-N 446.554 1.942 0 40 IDAB C[C@@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 14242321 KKPORHZSUVLLTN-CYBMUJFWSA-N 439.534 1.489 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 15039056 KGBINRMVXYPDFS-UHFFFAOYSA-N 437.424 1.406 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)NC(N)=O)c3ccccc3)CC2)cc1C 15408957 CJXLWYPVKUHFDB-IBGZPJMESA-N 430.530 1.546 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 19530327 FJTKEDWHROHOEC-MSOLQXFVSA-N 430.549 1.561 0 40 IDAB COCC(=O)N[C@H]1Cc2ccc(S(=O)(=O)Nc3cccc(-n4cccn4)c3)cc2C1 19749591 MWNKNHOHCNJADF-SFHVURJKSA-N 426.498 1.903 0 40 IDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CCn1c(=O)oc2ccccc21 24173905 UCRVWBLOPXWOJX-INIZCTEOSA-N 426.425 1.428 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Cc2csc(Cc3ccccc3)n2)C[C@H](C)O1 29186655 BVURFIBXNOIHBK-HOTGVXAUSA-N 437.587 1.832 0 40 IDAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 32092123 KRNHKSUBURSBJI-FQEVSTJZSA-N 440.525 1.406 0 40 IDAB CCN(CC(=O)NC(C)(C)C)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 32999632 FALIHINPIAOOTA-UHFFFAOYSA-N 431.580 1.075 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCC#N)C2=O)o1 35132210 LXSNXDGRHHGZNE-ZROIWOOFSA-N 426.341 1.970 0 40 IDAB O=c1c2cnc3ncnn3c2ccn1-c1ccc(S(=O)(=O)Nc2nccs2)cc1 38784108 PCWAGHQUGFTIJB-UHFFFAOYSA-N 425.455 1.686 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCN(C(=O)CC(C)C)CC1 40051393 RBZXXWMYOBOZBX-QGZVFWFLSA-N 438.594 1.763 0 40 IDAB O=C(NCCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1ccc(O)cc1 40119669 MQDALENXCBWUBV-UHFFFAOYSA-N 437.543 1.788 0 40 IDAB CC(=O)NCC1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 48302401 OIYJKMYIZBAZKP-HOTGVXAUSA-N 437.562 1.473 0 40 IDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(-n3cccn3)c(F)c2)C[C@@H](C)O1 69459991 MMEYEVSWPHQXTG-ZIAGYGMSSA-N 425.486 1.572 0 40 IDAB CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 72300958 CRKDBJSCTDINCF-PMPSAXMXSA-N 426.535 1.802 0 40 IDAB COc1ccccc1CCNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72325889 HJGQDWLDQAUWPB-DEOSSOPVSA-N 436.512 1.918 0 40 IDAB O=C(CCNC(=O)c1ccncc1)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 89780739 NITGNSVSGJTCHW-UHFFFAOYSA-N 448.520 1.700 0 40 IDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)c1 100188113 UFHDQKZEMIEXQO-DOWNOZBLSA-N 443.408 1.129 0 40 IDAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 222889352 SMDMFMSANJCGOH-QGZVFWFLSA-N 447.557 1.667 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)s1 223451245 IUGMLWALYPELHL-UHFFFAOYSA-N 446.532 1.217 0 40 IDAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C(=O)N1Cc1ccccc1Cl 225392318 XCPADZSZVHGSQU-MJGOQNOKSA-N 426.904 1.294 0 40 IDAB biogenic,in-vitro CN1CCN([C@H]2CC[C@](CNC(=O)C3CCNCC3)(c3ccccc3)CC[C@@H]2O)CC1 257308398 TWPDCTZXKNBIKR-LSQMVHIFSA-N 428.621 1.591 0 40 IDAB CC(C)N1[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N(C)c2ncccc2S1(=O)=O 306131330 KCBLEAYNWBIJOF-IAGOWNOFSA-N 430.530 1.912 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408658613 LICGRMZSHANAME-XXJNHTBESA-N 427.457 1.546 0 40 IDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 575426728 YWWLDXYKUIXBAY-CVEARBPZSA-N 446.547 1.010 0 40 IDAB CC(C)(CN1CCCCCC1)NC[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O 585289476 HUBZTYXFIXADKO-CTNGQTDRSA-N 425.595 1.027 0 40 IDAB C[C@@H](CN1CCOCC1)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1198421705 LLICGIGCDBMIEA-FXAWDEMLSA-N 426.399 1.995 0 40 IDAB COc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)cnc32)cc1 1775966502 IALRIQPCAQZPSY-UHFFFAOYSA-N 444.495 1.940 0 40 IDAB O=C(CN1CCN(c2ccc(-n3cccn3)nn2)CC1)N1CCN(c2ccccc2)CC1 1889241335 PJZBSKKPBOXTDD-UHFFFAOYSA-N 432.532 1.133 0 40 IDAB CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cccc(Cl)c2)CC3)C1=O 2055795906 SFHPEWWLODGBMD-HXUWFJFHSA-N 439.965 1.686 0 40 IDAB CCOC(=O)[C@@H](C)Sc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C 922303 OUSDGAKCCNJBOO-CYBMUJFWSA-N 440.547 1.547 0 40 IDAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)cc1 930417 GKHRKNDWHMUDIC-UHFFFAOYSA-N 444.517 1.533 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N1CCc2ccccc21 3287211 FEEHDCMDXRFJSY-UHFFFAOYSA-N 444.509 1.762 0 40 IDAB CC(C)Cn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2ccccc2c1=O 3303889 WWLBHNFFDWRJTO-UHFFFAOYSA-N 429.502 1.007 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2C[C@@H](O)COc1ccc2ccccc2c1 6444818 UJPCDNQFYQFKMQ-QGZVFWFLSA-N 435.484 1.617 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 8231381 FILZFNLAOVLMSO-FPTDNZKUSA-N 425.489 1.772 0 40 IDAB CCCC(=O)N(c1ccc2c(c1)c(C(=O)OC)c(C)n2S(C)(=O)=O)S(C)(=O)=O 8753917 IUJSWHCHPVUZGJ-UHFFFAOYSA-N 430.504 1.637 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC 9465779 FVGLKLNRDYUNRE-KBXCAEBGSA-N 426.535 1.800 0 40 IDAB O=C(C1CCN(c2ncccn2)CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 9486065 CWMRNUOWBFHZDP-FQEVSTJZSA-N 437.500 1.204 0 40 IDAB CC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 9764172 HPWMFRZFHFXDCQ-HXUWFJFHSA-N 447.488 1.046 0 40 IDAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 9898777 UVJLURZMEVDKOZ-HXUWFJFHSA-N 442.541 1.782 0 40 IDAB COc1cccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CC(=O)O)c(=O)n(C)c4nc23)c1 12549615 AWRFHSZTXLMETQ-UHFFFAOYSA-N 445.435 1.899 0 40 IDAB O=C(CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)NC[C@@H]1CCCO1 14139815 LHGGZLANKJFYSS-KRWDZBQOSA-N 431.924 1.303 0 40 IDAB COC(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 15247452 LNDIHSLQBHQCMP-UHFFFAOYSA-N 432.907 1.982 0 40 IDAB CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccco1 15647488 SZESSACVDBXGFC-UHFFFAOYSA-N 441.893 1.665 0 40 IDAB CC(C)(C)C1=NN(CC(=O)N2CCN(CC(N)=O)CC2)C(=O)c2cc3ccccc3n2C1 19082248 SFXFIUVVQFZNCW-UHFFFAOYSA-N 438.532 1.129 0 40 IDAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)c(OC)c1 19991124 ANDIZKBGTDWHGY-HSZRJFAPSA-N 426.469 1.801 0 40 IDAB CN1CCN(CC(C)(C)CN2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)CC1 23093266 UBXDXFKSRVHODZ-RCZVLFRGSA-N 431.669 1.835 0 40 IDAB COc1ccc(CN2CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)cc1OC 23740759 NGDSXJRSWRDAJJ-QFIPXVFZSA-N 430.505 1.069 0 40 IDAB O=S(=O)(c1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)nc1)N1CCOCC1 23846142 AQAOJDLRUFQEBI-UHFFFAOYSA-N 444.557 1.360 0 40 IDAB CCOC(=O)c1ccsc1NC(=S)NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 27026522 SZYRWGVYDJFURP-DJBIQUGXSA-N 433.511 1.545 0 40 IDAB O=S1(=O)CC[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 28249003 PGUANWUZORGPKK-QMMMGPOBSA-N 433.143 1.677 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2=O)c(F)c1 32334348 DLAHRLHXJFTRDN-GOSISDBHSA-N 440.523 1.606 0 40 IDAB O=C(CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1)NC1CC1 35325256 WFEBUTUOXQQKDZ-QGZVFWFLSA-N 432.952 1.615 0 40 IDAB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 36719084 WGOVXUXNBJKRQU-VVBPWWLESA-N 448.541 1.437 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1 38575680 KWMSFQGUUKETSE-UHFFFAOYSA-N 436.540 1.963 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)OC(=O)C2=NNC(=O)CC2)ccc1C 40159898 KJQHSDGRIGYIPD-ZDUSSCGKSA-N 438.506 1.162 0 40 IDAB NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1 58315784 WBZJMAPSOSXDLW-AWEZNQCLSA-N 441.431 1.832 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1=O 79061906 PONUMTCXZYRIQD-VLIAUNLRSA-N 437.518 1.287 0 40 IDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc3c(c1)CCS3(=O)=O)C2=O 79097628 QHFANTXYWJOCMM-UHFFFAOYSA-N 433.530 1.523 0 40 IDAB CCC[C@@H]1C(=O)NCCN1C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 95451910 CLZKPAFYSWNUOE-CQSZACIVSA-N 432.340 1.245 0 40 IDAB Cc1cccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)NCc4cnc(C)cn4)=NO3)C2)c1 96225947 KJPAMBYGYVHJAB-HXUWFJFHSA-N 429.502 1.319 0 40 IDAB COc1ncccc1CN1CCC2(CC1)O[C@@H](C(=O)NC[C@H]1CCCO1)Cn1ccnc12 96243779 HQOGRSZWJUJREE-RTBURBONSA-N 441.532 1.472 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CSCN2C(=O)/C=C/c2ccccc2)cc1 97124288 INSSLJLWSJNWSU-BLRBJFNZSA-N 445.566 1.608 0 40 IDAB COc1ccc(OC)c(CNc2ncc3c(=O)n(-c4ccc5c(c4)OCO5)c(=O)[nH]c3n2)c1 102911767 RNHOUXYCSCJJAF-UHFFFAOYSA-N 449.423 1.827 0 40 IDAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2NC1=O 252509762 YUXMBZQBZXVOIN-SFHVURJKSA-N 431.518 1.877 0 40 IDAB CC(=O)N1CCC(N2CCN3[C@@H](C2)CN(S(=O)(=O)c2ccccc2)CC3(C)C)CC1 253398747 HKADITUSHXXALY-FQEVSTJZSA-N 434.606 1.467 0 40 IDAB biogenic,in-vitro CNc1nc([C@@H]2CCN(S(=O)(=O)c3cc(F)ccc3OC)C2)nc2c1CN(C)CC2 257209373 BQDDQJNHZPKYEF-CYBMUJFWSA-N 435.525 1.832 0 40 IDAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)CCN2CCCC2=O)CC1 257222002 DRMRZGLORWZTKI-AWRGLXIESA-N 429.561 1.835 0 40 IDAB CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257278646 ODBFOHOCFNUTCI-IBGZPJMESA-N 435.528 1.884 0 40 IDAB Cc1nc(N)nc(C)c1CCC(=O)NCC[C@@]12CCCC[C@@H]1c1c(O)nc(O)nc1O2 257332900 XZHBDSYVJKNZFY-SZNDQCEHSA-N 428.493 1.805 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOC[C@]3(CC[C@H](CNc4ncccn4)O3)C2)cc1F 306136533 PWCKHFANFPVXJG-UZLBHIALSA-N 436.509 1.975 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 408552651 MMGUWJHUCRONQT-ZDUSSCGKSA-N 433.511 1.793 0 40 IDAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O 409228720 DAKZGECRACPQEZ-RFRKOGIWSA-N 448.497 1.912 0 40 IDAB Cc1cc(C)cc(S(=O)(=O)N2Cc3ccnn3[C@@H](COCC(=O)N3CCCC3)C2)c1 575405238 QWVLRIGUPDJMTO-LJQANCHMSA-N 432.546 1.885 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)c4cc5ccccc5n4C)C[C@H]23)n1 1549161180 FCWKBSBHMSWOLK-IBGZPJMESA-N 432.484 1.812 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(F)c(F)c4)C[C@H]23)n1 1549163057 YFPHFYKLVBSWLZ-INIZCTEOSA-N 430.415 1.991 0 40 IDAB Cn1cc(N2CCC(NC(=O)CCc3ccc(C(F)(F)F)cc3)CC2)c(=O)n(C)c1=O 1889133960 NKMQODJTRONAFO-UHFFFAOYSA-N 438.450 1.821 0 40 IDAB COCCn1c(SCC(=O)NCC(=O)OC)nc2sc3c(c2c1=O)CCCC3 3340790 DQYFMONWFBMPCC-UHFFFAOYSA-N 425.532 1.365 0 40 IDAB NC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)sc2c1CCC2 3343180 GGPZDZWOVMKBGO-NRFANRHFSA-N 440.481 1.504 0 40 IDAB NC(=O)[C@@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c2ccccc2O1 8706763 OZJGNSIICWCMBZ-KRWDZBQOSA-N 446.389 1.978 0 40 IDAB CCOc1ccccc1-n1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 9586485 SNZHBEYXBXGOGM-UHFFFAOYSA-N 442.501 1.731 0 40 IDAB O=C(COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)NCc1ccco1 9671579 DPZVOIJOSRNKSD-UHFFFAOYSA-N 431.470 1.300 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 9766574 LHGVOANAUXJEQK-NRFANRHFSA-N 442.497 1.583 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)n(C)c1=O 9875881 ZHYGNUXFVSVEGE-INIZCTEOSA-N 427.461 1.540 0 40 IDAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 12822767 OLGRQYSPAVBQFL-UHFFFAOYSA-N 445.472 1.990 0 40 IDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2cnn(C)c2C)c2cc(Br)ccc21 13628288 QRDXHNSSFJOEMO-HNNXBMFYSA-N 434.294 1.331 0 40 IDAB CN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 13691957 HLFAHLKVGSIOAQ-LJQANCHMSA-N 429.542 1.862 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 14236260 DYOLPZDVFCYQOA-YWZLYKJASA-N 432.546 1.731 0 40 IDAB COc1cn(CC(=O)NCc2ccccc2Cl)c(CSc2nnnn2C)cc1=O 15883877 NSUQIHFTDXZGDQ-UHFFFAOYSA-N 434.909 1.643 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](n2c(Br)nc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12 17020521 SPIGLDZVEURWTD-QYVSTXNMSA-N 428.243 1.152 0 40 IDAB C[C@@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 19079559 DPMLLRPXAYGMEY-SKDDIYDISA-N 434.496 1.333 0 40 IDAB O=C(NCCN1CCOCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008268 QQSMALRMNSGIOR-HXUWFJFHSA-N 435.521 1.164 0 40 IDAB Cc1cc(NC(=O)COC(=O)c2cccc(C(=O)OCC(=O)Nc3cc(C)on3)n2)no1 22623317 UREVZIBQVLYUIP-UHFFFAOYSA-N 443.372 1.265 0 40 IDAB CNC(=O)NC(=O)[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 23486118 FGSJQBIFYRMZQY-CQURBHOASA-N 430.461 1.227 0 40 IDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cc(C3CC3)nc21 30118288 SLOVDWRWERRIPU-UHFFFAOYSA-N 425.489 1.067 0 40 IDAB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 31811356 CZPMHCFPELUQCA-IBGZPJMESA-N 438.503 1.639 0 40 IDAB Cc1nc(CN2CCN([C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cs1 32889913 USGHWZHASREZJJ-INIZCTEOSA-N 431.562 1.535 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC(C)(C)N2CCOCC2)c1 32971746 PYUIMMJNWDCUDL-UHFFFAOYSA-N 438.594 1.378 0 40 IDAB C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 40062164 HYIBAHMJFAFRAA-LLVKDONJSA-N 432.340 1.108 0 40 IDAB COC(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 58298235 BZFLVNVYPHVOLG-VBQJREDUSA-N 425.507 1.654 0 40 IDAB COc1ccc(NC(=O)Cn2nc3c(N4CCC[C@@H](C)C4)nccn3c2=O)c(OC)c1 71328208 DZEQVLQPVBYHCK-CQSZACIVSA-N 426.477 1.783 0 40 IDAB CC(=O)N1CCCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)CC1 72327635 NIMZWMYLDOQQTE-XDHUDOTRSA-N 441.528 1.872 0 40 IDAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 219269230 ZLCZPVWNOOSAHR-ZDUSSCGKSA-N 441.941 1.867 0 40 IDAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219672783 USSVCUIYDIFKDT-UHFFFAOYSA-N 426.454 1.930 0 40 IDAB Cc1nc(S(=O)(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)[nH]n3)CC2)cn1C 225565176 SRIYTIGUFJCCBS-UHFFFAOYSA-N 434.444 1.312 0 40 IDAB CN1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 257209016 BOPVBXOCAQOZNK-IRXDYDNUSA-N 440.525 1.615 0 40 IDAB NC(=O)c1ccnc2c1ccn2[C@@H]1CN(C(=O)CCCc2nc3ccccc3[nH]2)C[C@H]1O 257280147 OJRKXBJVWYUJEO-RTBURBONSA-N 432.484 1.779 0 40 IDAB O=C(NCc1ccccc1)C1=NO[C@@]2(COCC[C@@H]2NS(=O)(=O)c2ccccc2)C1 306134626 NTSSIJDFDMENCT-PZJWPPBQSA-N 429.498 1.585 0 40 IDAB COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1 409142373 KBHNZMADLFULAQ-UHFFFAOYSA-N 441.531 1.496 0 40 IDAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)sc2c1CCCC2 409289466 GLXRIUJBKIMOPX-KFMKYRGESA-N 445.493 1.990 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccccc1 409388190 KTLXHMOERWSVPM-UHFFFAOYSA-N 445.541 1.923 0 40 IDAB CCn1c(O)nc2cc(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)ccc2c1=O 512973854 QHXMBMKMOKETDR-MRXNPFEDSA-N 436.468 1.532 0 40 IDAB COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 516577921 WTUQFZDVUPVDOF-GUYCJALGSA-N 434.518 1.400 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@@H](COc4ccc(C5CC5)nn4)C3)cc21 1888928907 PCXVHTFHHMLSPN-CYBMUJFWSA-N 430.486 1.889 0 40 IDAB O=C(CN1C(=O)CCC1=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889003317 UFVLEVYBKPPGLR-UHFFFAOYSA-N 430.468 1.942 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)COc2cccc(C(F)(F)F)c2)cc1 2661949 FNBPUJYFNVFYRG-UHFFFAOYSA-N 432.376 1.914 0 40 IDAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1ccc(F)cc1 3317893 ZCPXWAWEDSJHSD-UHFFFAOYSA-N 440.424 1.781 0 40 IDAB Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(=O)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 8790766 HRLBJLBAUIJCAE-XVIHEJCXSA-N 447.491 1.823 0 40 IDAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8843433 LCWAIOOZNMSNSX-RPXHZFJKSA-N 438.509 1.540 0 40 IDAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1cccnc1 9340662 SMPUMPNHWWGGBT-GOSISDBHSA-N 430.530 1.305 0 40 IDAB COc1ccc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 10216302 RWUKRJRFNNMUNU-UHFFFAOYSA-N 430.486 1.689 0 40 IDAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)COCC(=O)O)CC2)on1 12154488 BRHORZKMKQPXJU-UHFFFAOYSA-N 429.477 1.847 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)NCCC(c2ccccc2)c2ccccc2)n(C)c1=O 12483266 ODSSVKWJXVJAFG-UHFFFAOYSA-N 431.496 1.772 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O 12517466 ARDNVYDPDIAYKS-HXOBKFHXSA-N 443.548 1.852 0 40 IDAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12682185 SCUXDZCPMGTGPL-UHFFFAOYSA-N 429.498 1.852 0 40 IDAB COc1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)cc1S(=O)(=O)N1CCOCC1 12733805 DUVXKMWZYCETHM-UHFFFAOYSA-N 443.485 1.549 0 40 IDAB CCCn1c(=O)n(C[C@@H](O)COc2ccc(F)cc2)c(=O)c2c1nc(C)n2CCOC 12805275 LCNFFCMHJNMCJM-MRXNPFEDSA-N 434.468 1.304 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 12848496 BDGNOUMTDAZBIW-UHFFFAOYSA-N 446.485 1.065 0 40 IDAB COc1ccccc1OCCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 12911615 PMAXAIMVWASSSJ-UHFFFAOYSA-N 440.543 1.515 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)c(=O)[nH]c1=O 14624796 YAPJFAZBVMYGCY-UHFFFAOYSA-N 449.508 1.334 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 15957189 DUCJOSYWMDPMOJ-ADFWDLAYSA-N 449.507 1.613 0 40 IDAB biogenic CC1(C)C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 19460348 QOADAUHCXYYUPW-MSOLQXFVSA-N 448.527 1.970 0 40 IDAB C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1ccccc1)S(C)(=O)=O 19681133 WIWQHUCOZPKSOP-QGZVFWFLSA-N 445.541 1.914 0 40 IDAB CN(C)C(=O)CN1CCC[C@H](c2ccc3c(=O)n(C)c(=O)n(Cc4ccccc4)c3n2)C1 19742964 YAKZOELPCSSEPW-SFHVURJKSA-N 435.528 1.411 0 40 IDAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)c4ccccc4F)CC3)C2=O)cc1 19831188 QUBHDTQOYOVDHK-LJQANCHMSA-N 439.443 1.702 0 40 IDAB COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)NCCc3ccccc3)=C2)c1 20219958 ABELONKLXDCBFI-UHFFFAOYSA-N 429.498 1.926 0 40 IDAB biogenic COc1ccc(CNC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 22773150 FHJPTXLANITEGC-UHFFFAOYSA-N 427.501 1.867 0 40 IDAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 31810018 RFIYDWSOTCBYNJ-QGZVFWFLSA-N 439.491 1.429 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)NCc1nc(-c2ccccc2)no1 38488410 HCNWYALKIMQLKP-MRXNPFEDSA-N 429.502 1.768 0 40 IDAB CCCN(CC(=O)N(C)C)CC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)NC(=O)N1 40157235 QEKBKFMJXMVVTC-FQEVSTJZSA-N 432.521 1.667 0 40 IDAB COc1cc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(F)c3)c2=O)cc(OC)c1 40478209 ZPURAGBVFCZZME-UHFFFAOYSA-N 438.419 1.831 0 40 IDAB C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@@H](C)N1CCOCC1 79069552 LLFGYPFXQRQGRW-ZIAGYGMSSA-N 433.368 1.696 0 40 IDAB COC(=O)[C@H](CNC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)Cc1ccc(O)cc1 95963140 DWOFOFSDMONIKW-SJORKVTESA-N 439.468 1.751 0 40 IDAB CN(C)CCN1[C@H]2CCN(C(=O)c3cc[nH]n3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263979 HWYHRILUEZTLDQ-IRXDYDNUSA-N 433.534 1.028 0 40 IDAB Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 101391627 HNRXJCZEOHTRIT-UEHPKLIBSA-N 443.463 1.927 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@H]([C@H](C)O)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 105349273 BUPDNDBUWANODG-GRQPQKDCSA-N 439.443 1.136 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)CC1 220336519 NCRSXMPCHHJHLX-OAHLLOKOSA-N 426.535 1.960 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222562094 OYZYWNJULRWDRX-ZDUSSCGKSA-N 449.916 1.648 0 40 IDAB COC(=O)[C@H]1CN(C(=O)C[C@@H](NS(C)(=O)=O)c2ccc(OC)cc2)c2ccccc2O1 225953483 CGMXMGQMAFGZJB-VQIMIIECSA-N 448.497 1.643 0 40 IDAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)N[C@@]23C(=O)Nc2ccc(F)cc23)c1 229703726 VDTPQSMPHAKDCF-BNFUDPRMSA-N 429.448 1.988 0 40 IDAB O=C(COc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1)N1CCOCC1 257306458 SUISHLRTYZUKEU-PMACEKPBSA-N 439.503 1.200 0 40 IDAB COc1cc(C)c(S(=O)(=O)N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)cc1C 1888921710 ZLVZUKHAMGRDEB-IAGOWNOFSA-N 442.545 1.815 0 40 IDAB CCCCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1c(C)cc(C)cc1C 4357319 KZPNEMJPRXVMHE-KRWDZBQOSA-N 425.551 1.381 0 40 IDAB O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 8715407 VDAOBPUGQQRBCJ-UHFFFAOYSA-N 443.485 1.724 0 40 IDAB Cn1c(N)c(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c(=O)n(C)c1=O 9170193 RABLGDYIFBJSEW-UHFFFAOYSA-N 425.392 1.603 0 40 IDAB COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C(=O)N1CCOCC1 9191372 XVJJIPCFLAKPCL-UHFFFAOYSA-N 431.470 1.315 0 40 IDAB O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9223295 DKINLLMMHIEQKZ-UHFFFAOYSA-N 431.514 1.960 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC3CCCC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O 9382404 WJBLMHJZSRJBPA-UHFFFAOYSA-N 443.504 1.984 0 40 IDAB COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccccc3)CC2=O)c1 9591484 BFQUODFJWVDTJK-MRXNPFEDSA-N 426.425 1.623 0 40 IDAB O=C(CSc1nc(=O)n(CCCO)c2c1CCCC2)NCc1ccc2c(c1)OCO2 10256823 RHFINFWTHVMSCO-UHFFFAOYSA-N 431.514 1.642 0 40 IDAB CC(C)c1ccc(NC(=O)[C@@H](C)OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12793168 RIEOPNZANRDRLD-RHSMWYFYSA-N 449.529 1.846 0 40 IDAB COc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 12859025 FOVYXWGHUJPQGD-UHFFFAOYSA-N 448.497 1.709 0 40 IDAB CC(=O)NCc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 12922975 BIJLEJYPQBMHHS-UHFFFAOYSA-N 437.543 1.335 0 40 IDAB Cc1ccccc1Nc1nc(N)nc(COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 13146324 RMTTWKSDGGLKPL-HUUCEWRRSA-N 436.472 1.890 0 40 IDAB CC(C)CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 13149076 IDYGNFUYQVQUPL-UHFFFAOYSA-N 440.547 1.622 0 40 IDAB O=C(Cn1c(=O)cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccco1 13363298 BVYCGVGJXOHBRR-UHFFFAOYSA-N 430.486 1.481 0 40 IDAB CCOC(=O)N1CCC(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)CC1 15858612 VRDRIMCYBCYYKR-UHFFFAOYSA-N 437.518 1.740 0 40 IDAB CCc1cccc2c1NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15968491 TYWOLZGGOZTIIF-FHZNGLGWSA-N 433.508 1.593 0 40 IDAB biogenic C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16010088 PWWIMLJAYVPOBC-WLAGUIPSSA-N 443.862 1.781 0 40 IDAB Cc1ccc(C(=O)N[C@H](C(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 18526897 PKFOFVFWSVYDIE-NJAFHUGGSA-N 438.546 1.327 0 40 IDAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN3C(=O)CNC(C)=O)nc21 19744262 NIMIVJJIXCOVEH-GOSISDBHSA-N 437.500 1.683 0 40 IDAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCN1CCOCC1 20568047 JFTLRIOMIULPFR-UHFFFAOYSA-N 429.542 1.873 0 40 IDAB Cc1cccc(C)c1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O 22379435 LRLJCIXIOYREDD-UHFFFAOYSA-N 439.559 1.958 0 40 IDAB COc1ccc2cc(CN(C)C(=O)CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc2c1 22824645 BCAHJQKXQCYHGM-NRFANRHFSA-N 445.585 1.612 0 40 IDAB O=C(COC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCCc1cccs1 23327829 OBTOOZVYISTSJG-JOCHJYFZSA-N 441.509 1.734 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)c1 26537588 MUUMEZAMULNHNV-IBGZPJMESA-N 427.505 1.597 0 40 IDAB CCc1nc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c2c(n1)c(C)nn2C 28557605 RERHMEHYLSHWAK-UHFFFAOYSA-N 430.534 1.754 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 31808268 YXGUDKLDLJFPEG-SNVBAGLBSA-N 444.872 1.204 0 40 IDAB O=C(c1cc(Br)ccc1I)N1CCN(CCO)CC1 35110084 GIELOOXGVGMMTJ-UHFFFAOYSA-N 439.091 1.804 0 40 IDAB COC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)nn1 40153592 CGGFCVMPXLFNDO-UHFFFAOYSA-N 427.486 1.631 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CCn3c(=O)oc4ccccc43)CC2)o1 40154153 VETIQPNACARITP-UHFFFAOYSA-N 449.485 1.371 0 40 IDAB O=C(c1cccnc1-n1cncn1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 58179073 XNDSYUCAPCMKCA-UHFFFAOYSA-N 448.508 1.962 0 40 IDAB COCCCN(C)CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 72295868 NTXOMLJTIXLWIX-IRXDYDNUSA-N 427.567 1.183 0 40 IDAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCN4CCCC[C@@H]4C3)CC2)Oc2ccccc21 72326143 VFIMUNHSQGGMEF-HXOBKFHXSA-N 426.517 1.214 0 40 IDAB CS(=O)(=O)c1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO 79023478 UYDUMGAPMKQDRG-PWSUYJOCSA-N 433.324 1.458 0 40 IDAB COc1cccc(NC(=O)N2CCC3(CC2)c2ncc(C)n2CCN3S(C)(=O)=O)c1 96263281 SZQUBFCWZUALQB-UHFFFAOYSA-N 433.534 1.999 0 40 IDAB COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)CC(C)(C)O2 219267401 JUIYQQPGHAFWPY-WMLDXEAASA-N 425.551 1.932 0 40 IDAB O=C(c1cccc(-c2cncnc2)n1)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257225447 FGGDZGAEBBKMNI-VXKWHMMOSA-N 429.480 1.833 0 40 IDAB COCCN1C(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCN2C12CCOCC2 1772595484 ARAOVOOJEKXJRA-QGZVFWFLSA-N 441.450 1.827 0 40 IDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccc(S(=O)(=O)N5CCCC5)cc4)C[C@@H]3C2)n1 1888903769 VKEUJZPSWJUXDT-RTBURBONSA-N 441.557 1.778 0 40 IDAB CN(C)C(=O)c1cccc(NC(=O)NCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 1728479 QPGACLTYXVACQF-UHFFFAOYSA-N 436.520 1.896 0 40 IDAB COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)COc2ccccc2)C1 4236179 MXBQOLPKPMTLOG-DLBZAZTESA-N 425.485 1.848 0 40 IDAB biogenic,in-vitro COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 5321961 PKYVNRZZKVDLSJ-RDJZCZTQSA-N 425.485 1.878 0 40 IDAB O=C(Cn1nnc(-c2ccsc2)n1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8745489 HXUNVZOPRGLVEC-NTUHNPAUSA-N 444.542 1.547 0 40 IDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C 8880281 GHWJHXFSLIPAQW-QPMKFSPVSA-N 426.477 1.927 0 40 IDAB Cn1c(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)nc2ccccc21 9157019 JQFHTRYNSDKQSK-INIZCTEOSA-N 428.514 1.961 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)NC(=O)N[C@H]1C 9493650 YEGUUUQFBIRWDI-GOEBONIOSA-N 429.473 1.139 0 40 IDAB Cc1cc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCCO3)CC2)ccc1Br 9867003 BPCCSXOGDQXMKJ-AWEZNQCLSA-N 446.367 1.952 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)N3CCC(C)CC3)CC1)CNC2=O 12086675 KGMYEBDECRJEAL-HSZRJFAPSA-N 429.517 1.827 0 40 IDAB CC(=O)N1CCc2c(sc3nc(SCC(N)=O)n(Cc4ccccc4)c(=O)c23)C1 12414617 ILYNATRLZWUPRO-UHFFFAOYSA-N 428.539 1.988 0 40 IDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12549976 BIOZVNHQZRVSSE-QZTJIDSGSA-N 431.514 1.751 0 40 IDAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O 13164617 GVTMGPSQYXAJBC-RCDICMHDSA-N 439.424 1.139 0 40 IDAB Cc1cc(-c2cc(=O)n(CC(=O)N3CCC4(CC3)OCCO4)nc2-c2ccco2)on1 13226198 SXEOFMJDUYIWBN-UHFFFAOYSA-N 426.429 1.832 0 40 IDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)(C)C)C2)cc1 13513620 OTQZUBBTSYZQGO-AWEZNQCLSA-N 431.580 1.252 0 40 IDAB CCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(C)(=O)=O 13566664 KKDBGESOPXPSJV-UHFFFAOYSA-N 432.502 1.680 0 40 IDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 16301986 BWDNWGXAEWJRJD-UHFFFAOYSA-N 431.436 1.995 0 40 IDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 17953505 YAJGNVLBZJLWPU-TXEJJXNPSA-N 429.520 1.890 0 40 IDAB CC(=O)NCc1ccc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]2C(=O)N(C)C)cc1 19698713 GWYQGVYSRYTWLL-RTWAWAEBSA-N 447.532 1.954 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C[C@@H]3CCCCO3)CC1)C2=O 19699404 OMIZZJSCZAYNHB-SFHVURJKSA-N 448.564 1.506 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccc(F)cc3)C1)C2=O 19699569 FXPKWKAXVNOIQH-SFHVURJKSA-N 444.507 1.682 0 40 IDAB COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 21842336 IGAATKRTPSANQM-CABCVRRESA-N 446.554 1.851 0 40 IDAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23125966 RLFUGXWPLCTADK-UHFFFAOYSA-N 445.479 1.951 0 40 IDAB COc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1 23805987 QTDPKYJNRLGTHB-QFIPXVFZSA-N 441.440 1.653 0 40 IDAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 32957429 VVAMHQNBZJHTTG-SJLPKXTDSA-N 436.530 1.181 0 40 IDAB C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 35284055 UDJSUVSCCIAJTD-SLEUVZQESA-N 426.516 1.067 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 67286747 DJBIVQZUNNYEHG-FQEVSTJZSA-N 432.521 1.512 0 40 IDAB Cc1ccc(S(=O)(=O)N(CCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C(=N)N)cc1 71618906 IGBAQPBUORTDGU-AWEZNQCLSA-N 428.511 1.637 0 40 IDAB C[C@H](C(=O)N[C@H]1CN2CCC1CC2)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326798 AXRNCBUBDSKAOW-VVWXKSFDSA-N 425.533 1.150 0 40 IDAB CCN1CCN(c2ccc(C(=O)Oc3cccc(C(=O)NCC(N)=O)c3)cc2F)CC1 95983045 BASPUPWEDATUDI-UHFFFAOYSA-N 428.464 1.402 0 40 IDAB COc1ccc(S(=O)(=O)C2CN(C(=O)CCn3cnc4ccccc4c3=O)C2)cc1 96378034 YZFSKKLDPZWBOJ-UHFFFAOYSA-N 427.482 1.480 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21 100876808 STHCFHGCCMDAGT-VZCXRCSSSA-N 448.526 1.330 0 40 IDAB COc1ccccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O 225518544 TUJYZIIONNAISJ-UZKILMIQSA-N 426.460 1.328 0 40 IDAB biogenic,in-vitro O=C(NCCSc1ncn[nH]1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 226077536 YBSZGRVUUPIHLB-GFCCVEGCSA-N 429.955 1.767 0 40 IDAB COC(=O)COc1ccc(S(=O)(=O)NCCC(=O)NC(C)C)cc1Br 226743934 RTAMJOXAGNWIOH-UHFFFAOYSA-N 437.312 1.194 0 40 IDAB Cc1cnn(CC(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)c1 257203485 AQHCXQVLIOOUQK-LSQMVHIFSA-N 439.604 1.797 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)COc3ccccc3C(C)(C)C)[C@H]2O)CC1 257341424 ZKFXAOAGHBAIGL-TXTKFYIRSA-N 431.577 1.925 0 40 IDAB CN1C[C@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)c3ccnn3C)CC2)C1 306126735 FDSJNNJHHOORFA-LJQANCHMSA-N 429.496 1.181 0 40 IDAB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)OCC(=O)c1ccc(Br)cc1 408996991 CJEQBANTSTYKPO-CYBMUJFWSA-N 429.267 1.801 0 40 IDAB O=C(COCC(=O)N[C@H]1COc2ccc(F)cc2C1)N[C@@H]1COc2ccc(F)cc2C1 519854121 AIDYYLLTVCKETI-HDICACEKSA-N 432.423 1.521 0 40 IDAB O[C@@]1(CNCc2ccc(OCCN3CCOCC3)cc2)CCCN(c2cnccn2)C1 585274260 UUCHNKVOSYTTAO-HSZRJFAPSA-N 427.549 1.309 0 40 IDAB CCOC(=O)N1CCC(O)(CNC[C@]2(O)CCN(c3ccnc4cccnc34)C2)CC1 585282805 IABIGAPBNUBBMY-JOCHJYFZSA-N 429.521 1.144 0 40 IDAB CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)c21 670417825 MJKMFSGCZFGEQT-CYBMUJFWSA-N 431.308 1.986 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)c1 1888944444 JFHTVQANJSWKMB-ZIAGYGMSSA-N 444.517 1.137 0 40 IDAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(N)=O 1611502 KQTNXKRURVWGGU-PGRDOPGGSA-O 431.516 1.354 0 40 IDAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)o2)cc1OC 2640306 LIFWQEBEEFUDOW-VIFPVBQESA-N 447.473 1.097 0 40 IDAB COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 6135035 XMBXIWSRAICXIP-ZWKOTPCHSA-N 449.548 1.943 0 40 IDAB COc1ccc(NC(=O)CNC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)cc1 6232651 YZQQLTKAYSDCTD-BMGDNIKJSA-N 436.461 1.146 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccccc4)CC3)N2)cc1 8758145 BUIHEPKWFXYKHP-HXUWFJFHSA-N 434.500 1.650 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1)c1ccco1 9183719 NODHBNBAEJWKDT-IBGZPJMESA-N 448.357 1.512 0 40 IDAB Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(=O)/c(=C\c4ccc(Cl)cc4)n23)n(C)c1=O 9410798 QBBKQNGVZRLORN-SFQUDFHCSA-N 447.882 1.296 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 9418512 NVSSUVKNMCYNLD-INIZCTEOSA-N 439.534 1.397 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2nccs2)CC1 10269602 ZHJCYGAWIWSPBY-INIZCTEOSA-N 426.539 1.934 0 40 IDAB CC(C)NC(=O)Cn1nc2n(CC(=O)N3[C@H](C)CCC[C@H]3C)c3ccccc3n2c1=O 12117723 HMHZIMYBDKVUJZ-HZPDHXFCSA-N 426.521 1.765 0 40 IDAB CC(=O)c1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 12797155 PNZYTQDWHUJEOQ-LJQANCHMSA-N 436.505 1.775 0 40 IDAB CCC[C@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O 13097741 XBTFOCXRHAOXEG-LJQANCHMSA-N 434.562 1.550 0 40 IDAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccc(F)cc1 14342922 XDDXBSSXFHOCCL-UHFFFAOYSA-N 434.493 1.158 0 40 IDAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccccn4)CC3)N2)c1 14607051 HXYQIONMXONKTG-KRWDZBQOSA-N 438.488 1.104 0 40 IDAB O=C(c1oc2ccccc2c1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1 14806037 DPRCMOJHPJDKHE-UHFFFAOYSA-N 442.453 1.876 0 40 IDAB C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 15959889 ZDZLHYCCYICKBX-ZBBYWACHSA-N 439.899 1.684 0 40 IDAB CCN(C(=O)CN1CCc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 16044019 OWKVRNUIKUPXCH-UHFFFAOYSA-N 433.512 1.578 0 40 IDAB COc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1OC 17012258 JHQYEEFBOKIMCF-UHFFFAOYSA-N 427.505 1.601 0 40 IDAB CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3cccc(F)c3)CC1)C2=O 19699506 DWHBDNRHWJTRGX-UHFFFAOYSA-N 446.479 1.973 0 40 IDAB CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)nc2c1CCN(C(C)=O)C2 19707097 NIEAGUNYYGUJRN-LJQANCHMSA-N 445.545 1.957 0 40 IDAB COc1ccc(OC)c([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4cccc(C(=O)O)c4)C(=O)[C@@H]32)c1 20131155 ZRBRCYWEXZDFLF-XSLAGTTESA-N 440.408 1.305 0 40 IDAB CN(C)C(=O)CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 21390508 VRRKRGCJYRKUEK-UHFFFAOYSA-N 427.471 1.549 0 40 IDAB Cc1ccc2nc(CN3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc(=O)n2c1 24598482 DEUOAGUXWKIELD-UHFFFAOYSA-N 438.553 1.998 0 40 IDAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(C(=O)C2CC2)CC1 25166913 WCAGWIPVUIULOV-UHFFFAOYSA-N 448.317 1.906 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ncnc4c(C)nn(C)c34)CC2)cc1OC 28557341 ORTBZMUSXLOLSX-UHFFFAOYSA-N 432.506 1.200 0 40 IDAB O=C1CN(c2ccc(NC(=O)c3cccc(CN4C(=O)CSC4=O)c3)cn2)CCN1 31718205 TZGGPWQDFAJCGU-UHFFFAOYSA-N 425.470 1.466 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc(C)ccc2C)c1=O 32958177 JOOOOZMAZJLLBX-UHFFFAOYSA-N 429.521 1.484 0 40 IDAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1OC 36358740 UCKXMEKCBVDBCY-CQSZACIVSA-N 447.513 1.946 0 40 IDAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 48311100 JRJVVQPSPDEORS-QGZVFWFLSA-N 443.483 1.275 0 40 IDAB COc1cccc(-c2noc(Cn3cccc(S(=O)(=O)N4CCCC4)c3=O)n2)c1OC 77199945 PYCBHZOLXCNLQO-UHFFFAOYSA-N 446.485 1.748 0 40 IDAB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 106519815 XXIQFPBMBSZDPC-BZUAXINKSA-N 426.535 1.802 0 40 IDAB COc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)nn1 409290213 KNIKELCNCRJCHU-KDURUIRLSA-N 447.403 1.810 0 40 IDAB O=S1(=O)CC[C@H](N2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 575608588 OQXASKNGVLPVPU-AWEZNQCLSA-N 426.482 1.635 0 40 IDAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)c5c(C)noc5C)C[C@@H]4C3)ncn2)n1 585617367 WKGVSQPSHHFCEC-IRXDYDNUSA-N 443.533 1.641 0 40 IDAB C[C@@H]1C[C@@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C(=O)N1c1cnn(C)c1 645037759 KTTVFNTVZYQGFR-DGCLKSJQSA-N 444.293 1.729 0 40 IDAB Cc1cnc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)nc1 2056226410 QLROHZIDZBNYFS-SCLBCKFNSA-N 438.410 1.275 0 40 IDAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(Cc3ccccc3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242114 HHLMLRKLHSZUSL-UFYCRDLUSA-N 427.549 1.074 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCn2nnc3ccccc3c2=O)C(C)C)c1 2616916 NSCRQTMYGAGTQW-IBGZPJMESA-N 440.456 1.764 0 40 IDAB O=C(NC[C@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F)C(=O)NC1CCCCC1 3027676 DQOPFGXKQHAYOJ-QGZVFWFLSA-N 445.488 1.267 0 40 IDAB O=C1CN(C(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c2ccccc2N1 3298100 QNEVHXPMEKURIM-UHFFFAOYSA-N 436.218 1.300 0 40 IDAB O=C(CSc1cccc[n+]1[O-])Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 8696088 HQYMIFBVFKNNHB-UHFFFAOYSA-N 443.934 1.725 0 40 IDAB CN(C)S(=O)(=O)Nc1ccc2c(c1)c1c(n2S(=O)(=O)N(C)C)CC(C)(C)CC1=O 8753887 KHARIJHSMDBTCX-UHFFFAOYSA-N 442.563 1.669 0 40 IDAB COc1ccccc1NC(=O)CNC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 9444468 BODVAWUTDKJLSN-NRUGXNMXSA-N 436.461 1.146 0 40 IDAB O=C(OCc1cc(=O)n2ccsc2n1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9637816 WCJLZGDYBCNOLT-GFCCVEGCSA-N 427.438 1.624 0 40 IDAB CS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)ccc21 9862607 HDLVKIPCHOELAG-QFIPXVFZSA-N 439.493 1.585 0 40 IDAB CCCCn1c(CSc2nnnn2C)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 9953510 MRFFKHHVCUNOBO-UHFFFAOYSA-N 426.506 1.551 0 40 IDAB COC(=O)[C@@H](C)O[C@@H]1[C@H](NC(C)=O)[C@H](OCc2ccccc2)O[C@H]2COC(C)(C)O[C@@H]21 10382085 OEKDBUGAXUPTRV-UCZNDOMESA-N 437.489 1.531 0 40 IDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)on1 11010552 OLFAYTLYDBUCAC-KGLIPLIRSA-N 446.485 1.714 0 40 IDAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC[C@H]3CCCO3)[nH]c2=O)cc1 12033244 BOFOKBSBSFVNJH-CYBMUJFWSA-N 433.490 1.000 0 40 IDAB Cc1noc(C)c1C(=O)N1CCC(c2nc(N3CCOCC3)ncc2S(C)(=O)=O)CC1 12133466 ZCXVKEXNZKBFJD-UHFFFAOYSA-N 449.533 1.341 0 40 IDAB CN(c1ccc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1)S(C)(=O)=O 12567093 DDEARYRUQWVJOM-OAQYLSRUSA-N 427.482 1.659 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c1 12696742 IESNTWREBCTJAU-UHFFFAOYSA-N 430.486 1.359 0 40 IDAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NC[C@@H]2CCCO2)C(=O)[C@]31C 12868324 XGDXGVGJOYVJQV-HMFCALDFSA-N 440.500 1.896 0 40 IDAB biogenic CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)Nc4nncs4)CC3=O)cc2)CC1 13941736 CVNANKLMSNQUJF-AWEZNQCLSA-N 449.558 1.950 0 40 IDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCC(=O)Nc1ccc(F)c(F)c1 14168957 RZXLCSUDNLZTRF-UHFFFAOYSA-N 428.395 1.091 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3)CC2)c(-c2cccnc2)n1 19290301 HLSRUWLVPOTFRK-UHFFFAOYSA-N 439.541 1.948 0 40 IDAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCN(C4CCCC4)CC3)CC2)Nc2ccccc21 19374629 RBYGYTWIEFLBDD-XMMPIXPASA-N 439.560 1.638 0 40 IDAB Cc1c(C(=O)N[C@H](C)C(=O)N2CCC[C@@H](C(=O)CS(C)(=O)=O)C2)oc2ccccc12 19566309 SSVPAXXJASQWAA-HUUCEWRRSA-N 434.514 1.712 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 19583787 CLTGJAHVJPCGKI-INIZCTEOSA-N 449.552 1.453 0 40 IDAB CNC(=O)c1[nH]c([C@H]2CCCN(C(=O)CN3CCOCC3)C2)nc1-c1ccc(OC)cc1 19698894 QAXYHBAINJXZLH-KRWDZBQOSA-N 441.532 1.483 0 40 IDAB Cc1nc([C@@H]2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)ncc1C(=O)N1CCCC1 19757728 WGHYQHPMCJCMET-QGZVFWFLSA-N 448.527 1.841 0 40 IDAB Cc1cc(C)n(CCC(=O)N2CCC(Cc3nn(C)cc3C(=O)N(C)C)CC2)c(=O)n1 19758637 DJZNBANRPQXAIV-UHFFFAOYSA-N 428.537 1.167 0 40 IDAB CC(=O)NCC(=O)N1CCO[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19759595 CDEIANNIQQUSPU-SFHVURJKSA-N 439.497 1.980 0 40 IDAB CCOC(=O)/C=C/c1ccc(NC(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)cc1 22065346 AKHQUNYJMJRQEA-BJMVGYQFSA-N 429.498 1.912 0 40 IDAB Cn1c(=O)c2cc(C(=O)NCCc3cc(Cl)c4c(c3)OCCO4)cnc2n(C)c1=O 22760362 HNIYFRNAAFFZDR-UHFFFAOYSA-N 430.848 1.029 0 40 IDAB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1 22851246 CFVUXYDQEBYANV-IBGZPJMESA-N 442.491 1.276 0 40 IDAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)N[C@@H](c1ccccc1)c1cccs1 22920086 GNAJRYCDMFBJJX-RXVVDRJESA-N 433.599 1.758 0 40 IDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)CNC(=O)C2CCCCC2)n1 32876749 BKPAFSXIOAGJQU-UHFFFAOYSA-N 428.493 1.766 0 40 IDAB C[C@H](C(=O)Nc1ncccn1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 32891605 MENWCZZEMAMVAZ-MRXNPFEDSA-N 425.514 1.963 0 40 IDAB CCN(CC)C(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 32925693 PRPYYNUKHJQAJH-CYBMUJFWSA-N 431.942 1.348 0 40 IDAB Cc1ccc2c(c1)N(CC(=O)N(CCN1CCOCC1)Cc1ccncc1)C(=O)[C@@H](C)O2 35315187 VBXSQWXJCXFEMU-LJQANCHMSA-N 438.528 1.865 0 40 IDAB Cc1ccc(C)c(-n2cnnc2SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 35351302 QRINXZCWNHLGIM-UHFFFAOYSA-N 442.589 1.743 0 40 IDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1 35413695 DDCUDCJRWXVANH-UHFFFAOYSA-N 439.545 1.801 0 40 IDAB COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(OC)cc3)c(=O)n12 101765432 VHLUQZNUIQOUOE-RFTLFXFESA-N 436.489 1.868 0 40 IDAB O=C(CCNS(=O)(=O)c1cccc(F)c1)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 206692093 UHTJBNAFCVMRKN-QGZVFWFLSA-N 444.506 1.303 0 40 IDAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 224499247 VPINPQRRGVZBDJ-UHFFFAOYSA-N 448.497 1.288 0 40 IDAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)=O)CC1 257222374 DTBDPMCCEPPSKU-HYVLGVRCSA-N 429.561 1.833 0 40 IDAB C[C@]1(O)COC2(CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)C[C@@H]1NS(C)(=O)=O 257246259 ITILHHPZEBSVJA-ICSRJNTNSA-N 448.545 1.141 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4ccc(F)cc4)C2)C3)cs1 306136891 QFZHLESEMFBMBG-OAQYLSRUSA-N 427.505 1.806 0 40 IDAB CCCNC(=O)c1nnc2n1CC1(CCN(Cc3ccc4c(c3)OCO4)CC1)COC2 306139555 TTYUSQQKHVVEMI-UHFFFAOYSA-N 427.505 1.959 0 40 IDAB CN1c2ccc(F)cc2N(CCNS(=O)(=O)c2cccc3nsnc23)S1(=O)=O 575613856 WUIWBASWUZWYHP-UHFFFAOYSA-N 443.507 1.310 0 40 IDAB O=C(CCS(=O)(=O)c1ccccc1)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 606440747 YZHKKYLCCJTKLA-UHFFFAOYSA-N 449.554 1.700 0 40 IDAB CN(C)c1nccc2c1CCN(c1nnc(Cc3ccncc3)n1CCOCCCO)C2 1696611667 HRVJTHFOJOTNOO-UHFFFAOYSA-N 437.548 1.687 0 40 IDAB Cn1cccc(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NC5CCCC5)n4CC3)C2)c1=O 2055785552 ZPNVTHSINSNRPH-HSZRJFAPSA-N 438.532 1.518 0 40 IDAB CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(Cc2cccc(OC)c2)CC3)C1=O 2055794498 VQNOCBVTVHWHKK-JOCHJYFZSA-N 435.590 1.791 0 40 IDAB COc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 3376749 CGDLRHYREPXHBE-XMMPIXPASA-N 434.496 1.737 0 40 IDAB CCc1nc(SCC(=O)N2CCCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1 6530289 HHFOSVIQINECFE-UHFFFAOYSA-N 425.514 1.661 0 40 IDAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 9284333 JXZDQQAKNDPPKY-AWEZNQCLSA-N 443.481 1.888 0 40 IDAB CCOC(=O)c1ccc(-n2c(C)cn3c4c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c4nc23)cc1 9713054 WUHLDBXRKPDDMZ-CYBMUJFWSA-N 437.456 1.774 0 40 IDAB CCCCN1C(=O)C(=O)N(CC2=C(C(=O)OCC)[C@H](c3cccs3)NC(=O)N2)C1=O 9963033 WWJPNDNSWCEEPZ-AWEZNQCLSA-N 434.474 1.510 0 40 IDAB CCOC(=O)Cn1c(C)cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc12 10233585 JJIQOGAZISTLAX-UHFFFAOYSA-N 429.864 1.723 0 40 IDAB CCc1nnc(NC(=O)CSc2nc(=O)n(N3CCN(C)CC3)c3c2CCCC3)s1 10255202 CYEYKJQWHOMUCK-UHFFFAOYSA-N 449.606 1.150 0 40 IDAB Cc1cc(C)n2ncc(C(=O)N3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)c2n1 12089407 QPLRELOSENMCGS-IBGZPJMESA-N 440.529 1.928 0 40 IDAB Cc1c(CN2CCC[C@H](n3nnc4cc(C(F)(F)F)ccc43)C2)c(=O)n(C)c(=O)n1C 12184989 XPEVEGQBZFAZON-AWEZNQCLSA-N 436.438 1.993 0 40 IDAB Cn1nnnc1-c1cccc(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 12539733 CKQSXLVZGIBBOJ-GOSISDBHSA-N 426.502 1.509 0 40 IDAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 12632409 BIGYRCKHQPEQQN-QGZVFWFLSA-N 428.898 1.249 0 40 IDAB CN1C(=O)c2ccc(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2C1=O 12763570 WTHRPUXIWVPBMD-UHFFFAOYSA-N 447.444 1.325 0 40 IDAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CNC(=O)c1cc(OC)cc(OC)c1 12973390 WERZOOWJDYONNT-UHFFFAOYSA-N 431.464 1.738 0 40 IDAB O=C(CNC(=O)c1ccccc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 13007002 NAIAYKPCTWDFFS-UHFFFAOYSA-N 437.905 1.729 0 40 IDAB COc1ccc(C(=O)OCC(=O)N2CCCCCC2)cc1S(=O)(=O)N1CCOCC1 13129321 QPERQKZEYHJGAG-UHFFFAOYSA-N 440.518 1.276 0 40 IDAB Cc1cccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3S(=O)(=O)c3cccs3)CC2)c1 13371197 CTWOBLNWFZZNDE-ROUUACIJSA-N 440.612 1.818 0 40 IDAB COC(=O)CC(=O)[C@H](C(=O)OC)c1nc(C)nc2c1nnn2Cc1ccccc1Cl 13563244 XLXCJGXZDOJBAG-HNNXBMFYSA-N 431.836 1.620 0 40 IDAB Cc1cc(Cl)c2c(c1)[C@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 16020140 KCSUZGNYMXHPDB-RPWDQDSNSA-N 444.919 1.577 0 40 IDAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 17638045 WWWWLCSLLIKJAF-ZDUSSCGKSA-N 429.420 1.994 0 40 IDAB Cc1cccc(-c2ccc(C[C@@H]3CN(C(=O)CN4CC(=O)NC4=O)CCNC3=O)cc2)c1 19235404 DAEIVLLGYPBSAF-HXUWFJFHSA-N 434.496 1.331 0 40 IDAB Cc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCN2CCS(=O)(=O)c2ccccc2)n1 19766665 RRTFETSVDXMVCS-FQEVSTJZSA-N 444.557 1.868 0 40 IDAB O=C(CN1C(=O)COc2ccccc2C1=O)c1cccc(S(=O)(=O)N2CCCC2)c1 21790306 OSNDNZQHHBCRDJ-UHFFFAOYSA-N 428.466 1.715 0 40 IDAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22793150 YCQGBBAXCFYIBP-JOCHJYFZSA-N 439.560 1.805 0 40 IDAB CN1CCC2(CC1)NC(=O)N(CN1CCN(c3ccc(C(F)(F)F)cn3)CC1)C2=O 23673940 KTOBLVYQLXNNLC-UHFFFAOYSA-N 426.443 1.196 0 40 IDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 29363213 LXEFWTFHHFNTAP-GHTZIAJQSA-N 442.560 1.963 0 40 IDAB O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1 32936113 WMPHPGGHGVPDHD-UHFFFAOYSA-N 429.480 1.860 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC2CCC(C)CC2)cc1 32957411 VKTNOYWPYSGBMY-UHFFFAOYSA-N 439.534 1.504 0 40 IDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)n1 40107532 IRJZIHVRINPGEW-ICSRJNTNSA-N 444.557 1.183 0 40 IDAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cnn(-c2ccccc2)n1 40127713 OIQBCFLDHZPMPQ-UHFFFAOYSA-N 427.486 1.730 0 40 IDAB COC(=O)c1ccccc1NC(=O)Cn1cnc2nc(N3CCSCC3)sc2c1=O 45970647 UESHETJNWVXVHX-UHFFFAOYSA-N 445.526 1.832 0 40 IDAB CC(C)Cn1c(N)c(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)c(=O)n(C)c1=O 58173091 UAEDVSMVVPIQBC-UHFFFAOYSA-N 435.531 1.223 0 40 IDAB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1cccc(NC(=O)c2ccco2)c1 58218541 OSOODBQNWGJYHG-ROUUACIJSA-N 431.514 1.913 0 40 IDAB COc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCOCC3)ccc2=O)cc1Cl 65237535 JYUPFALKVVYNGK-UHFFFAOYSA-N 441.893 1.170 0 40 IDAB O=C([C@H]1CCc2cn[nH]c2C1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 72302709 QOGJWQWNNXXTJJ-LBPRGKRZSA-N 432.531 1.052 0 40 IDAB CC(C)[C@@H](C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)N1CCCS1(=O)=O 95430626 VIPOWBUGBKHXRN-WBMJQRKESA-N 439.361 1.909 0 40 IDAB Cc1ccnc(Nc2cc(NCCNC(=O)C3CCN(S(C)(=O)=O)CC3)nc(C)n2)c1 96025000 OUNDCBMRNQEUKZ-UHFFFAOYSA-N 447.565 1.432 0 40 IDAB COC(=O)C[C@H](c1c(O)cc(C)n(CC(=O)O)c1=O)c1cc2ccccc2n(C)c1=O 96221695 MZSQYROFOZIGGU-AWEZNQCLSA-N 426.425 1.494 0 40 IDAB biogenic CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222895882 ZRKKGOGUCYPTBB-MRXNPFEDSA-N 445.557 1.366 0 40 IDAB COC(=O)c1cc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)ccc1C 223824528 VAKPSROAHHPSDE-UHFFFAOYSA-N 438.527 1.783 0 40 IDAB Cn1c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cc(=O)n(C)c1=O 257228462 FTYFHNWDNKXVSN-OAHLLOKOSA-N 426.448 1.822 0 40 IDAB CN1CCN(c2ncccc2CNC(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 543779918 FCXDCKLMFHZXTE-QFIPXVFZSA-N 438.576 1.399 0 40 IDAB COc1ccc(CN(C)[C@@H]2CN(Cc3ccc(OCCOCCO)cc3)C[C@H]2O)cc1 585269677 HUKYWRAFWBKDIT-DNQXCXABSA-N 430.545 1.760 0 40 IDAB CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccn4)n3C[C@@H](COC)OC)C2)CC1 1547725341 WKUHQVDTVVKGPS-MOPGFXCFSA-N 429.569 1.218 0 40 IDAB COc1ccnc(N2C[C@H]3CN(S(=O)(=O)c4ccc5c(c4)CCC(=O)N5)C[C@@H]3C2)n1 1888890968 BDIGVTRIBNNFJY-GJZGRUSLSA-N 429.502 1.127 0 40 IDAB CC(C)[C@H](C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 2648628 BIVZPZRNRSYTTI-HNNXBMFYSA-N 425.551 1.855 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 2648940 DQFKGDMMPCMKTN-UHFFFAOYSA-N 431.445 1.699 0 40 IDAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1ccccc1 3641293 UFCNPCMLOACNPX-LJQANCHMSA-N 448.332 1.805 0 40 IDAB CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1 5734794 FAVCUUQOZGVLMI-VAMGGRTRSA-N 433.417 1.298 0 40 IDAB CCOc1ccc(NC(=O)NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1OCC 9172276 RNPGLEZCSQAGPZ-UHFFFAOYSA-N 446.460 1.866 0 40 IDAB COCCNC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(Br)c1 9238841 BKQNPSOSMFNWNO-ZIAGYGMSSA-N 442.339 1.879 0 40 IDAB CCN1C[C@H](CN(C)C(=O)CCNC2=NS(=O)(=O)c3ccccc32)Oc2ccccc21 9933278 IUPWKVLLOHUALE-INIZCTEOSA-N 442.541 1.861 0 40 IDAB COc1cccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 9988776 MMOJRQRMNADSBA-UHFFFAOYSA-N 432.498 1.953 0 40 IDAB CCn1cc([C@H]2C[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)N(C)S(=O)(=O)N2)c(C)n1 12130413 VUWHDQQDMDUAHG-CVEARBPZSA-N 437.522 1.447 0 40 IDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 12886539 SJZKTGOZDCEJOJ-IBGZPJMESA-N 447.488 1.828 0 40 IDAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1=O 12932761 TXJJXIZLPMYDSB-UHFFFAOYSA-N 436.534 1.910 0 40 IDAB CCN(C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 13135834 PMWROWRTLCADAE-AWEZNQCLSA-N 447.542 1.237 0 40 IDAB CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c1=O 15554017 USSRMFBNMPBYRU-UHFFFAOYSA-N 435.912 1.439 0 40 IDAB Cc1cc(C)nc(-n2[nH]c3[nH]c(CSc4nnnn4-c4ccccc4)cc(=O)c3c2=O)n1 18240899 JGQPINLBVFWJBP-UHFFFAOYSA-N 447.484 1.682 0 40 IDAB COc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 19569595 CRCFRSDCOBNPFC-QGZVFWFLSA-N 446.529 1.002 0 40 IDAB O=C(NCCN1CCN(C(=O)COc2ccccc2F)CC1)c1ccc2c(c1)OCO2 20891197 IXZPLPBITAIDPA-UHFFFAOYSA-N 429.448 1.507 0 40 IDAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22824857 JHPNVCHBTFJQEL-UKRRQHHQSA-N 435.468 1.717 0 40 IDAB COc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1S(=O)(=O)N1CCOCC1 23322139 XQCMKMSEIUEONH-VBKZILBWSA-N 448.497 1.883 0 40 IDAB O=C(Cn1cc(Br)ccc1=O)NCCN1CCN(Cc2ccccc2)CC1 32064947 QDQQMNFUPNFQAY-UHFFFAOYSA-N 433.350 1.545 0 40 IDAB O=C(NCCN1CCN(C(=O)C(Cl)(Cl)Cl)CC1)c1nc(O)c2ccccc2n1 44901544 IRCANVOPOXXJNW-UHFFFAOYSA-N 446.722 1.580 0 40 IDAB Cc1noc(C)c1CCC(=O)N1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1 56936190 RHFFBYITOGFVRE-SFHVURJKSA-N 449.577 1.746 0 40 IDAB COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@@H]24)O3)cc(OC)c1OC 57464011 DBJBXZBUIBMHFA-MDWNEOSMSA-N 441.440 1.934 0 40 IDAB COC(=O)[C@H](C)CN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccccc1 60333688 XJMJLJCWKSDSOO-MRXNPFEDSA-N 445.541 1.534 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc(C3CCN(Cc4ccsc4)CC3)[nH]c(=O)c2C1 72399038 HXDIGGDXRZOKTK-UHFFFAOYSA-N 437.591 1.376 0 40 IDAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2nnn(CC(=O)NC3CC3)c2=O)cc1 77100223 QDQGAEBAEVPGHF-UHFFFAOYSA-N 442.863 1.622 0 40 IDAB CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 89274610 LZGSTMAZZZWISC-UHFFFAOYSA-N 436.877 1.332 0 40 IDAB CC[C@@H](C)NC(=O)CCNC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 97080079 AQLVUEJSCFHRQE-CQSZACIVSA-N 449.577 1.490 0 40 IDAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)C(=O)NCCC(C)C)cc1 222970295 FZTJWHRJGXZKKO-INIZCTEOSA-N 427.567 1.466 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCN3C(=O)[C@@H]3C[C@H]4C=C[C@H]3C43CC3)nc2C1 247503277 GELJSTNBFHRIHU-GFOCRRMGSA-N 444.557 1.766 0 40 IDAB O=C(c1cnccn1)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 306124088 BFYXZKWZUTZNAL-MSOLQXFVSA-N 437.481 1.348 0 40 IDAB NC(=O)COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 408961441 CGOYHYWNCBGIOD-SXGWCWSVSA-N 428.832 1.736 0 40 IDAB CCOC(=O)[C@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 547643027 IPHHAOQUEOGHBG-KRWDZBQOSA-N 431.470 1.836 0 40 IDAB COc1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1NC(C)=O 575424488 AOOAJYTYHRXSID-GJZGRUSLSA-N 446.547 1.010 0 40 IDAB O=C(NCc1cc2n(n1)CCCO2)C1CCC(C(=O)NCc2cc3n(n2)CCCO3)CC1 646256507 ATZNSSPTHIZRNQ-UHFFFAOYSA-N 442.520 1.384 0 40 IDAB Cc1cn2nc(OCC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)ccc2n1 1888890767 LSUYUKVKRJSKOH-UHFFFAOYSA-N 435.550 1.327 0 40 IDAB Cc1noc(C)c1CC(=O)N1C[C@H]2CN(c3ccc4nnc(C(F)(F)F)n4n3)C[C@@H]2C1 1888897397 DIKNACGPUISFDS-CHWSQXEVSA-N 435.410 1.885 0 40 IDAB CN(C)C(=O)CN1CCC[C@@]2(CC=CCNC(=O)c3ccccc3OCCN(C)C2=O)C1 2037843459 DIWCFGCBYKZPOQ-DEOSSOPVSA-N 442.560 1.384 0 40 IDAB COc1c2c(cc3c1OCO3)CC[N+](N1CCc3cc4c(c(OC)c3[C@@H]1O)OCO4)=C2 2037187 UOMFYMHHTALLMB-QFIPXVFZSA-N 427.433 1.613 0 40 IDAB Cc1c(NC(=O)c2c(NC(=O)CCS(=O)(=O)c3ccccc3)cnn2C)cnn1C 2730972 NLMGHMQLPFQNMA-UHFFFAOYSA-N 430.490 1.517 0 40 IDAB Cc1cc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1C[C@@H]1CCCO1 3295715 BMQVOIASQARFON-INIZCTEOSA-N 439.468 1.713 0 40 IDAB Nc1c(I)cc(C[C@H](N)C(=O)O)cc1I 4513897 XVRWUAYKWQYHII-ZETCQYMHSA-N 431.999 1.432 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 5941549 URRPOKDJBPNOGV-ZETCQYMHSA-N 433.515 1.525 0 40 IDAB O=c1c(-c2ccc(Cl)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 8740196 PIIJBWCFNYXGGN-QNDFHXLGSA-N 434.828 1.292 0 40 IDAB biogenic C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8760451 QDZXBMVBTFSPAQ-GDBMZVCRSA-N 445.497 1.253 0 40 IDAB CCCCCN(C(=O)CSc1cccc[n+]1[O-])c1c(N)n(CCCC)c(=O)[nH]c1=O 8824373 RZWCHOXBAIAOQW-UHFFFAOYSA-N 435.550 1.868 0 40 IDAB CC(=O)N[C@@H]1[C@@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@@H](CO)[C@@H](O)[C@@H]1O 8834581 SMWDBPKQNHBCGZ-QNSTZXKLSA-N 433.301 1.047 0 40 IDAB CNS(=O)(=O)c1cccc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c1 9509209 ZKAVURXVAFLTHE-UHFFFAOYSA-N 428.474 1.771 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)COc2ccccc2C)CC1 9570165 HMCOKOMUOKRDAT-UHFFFAOYSA-N 447.557 1.651 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccc(O)cc1 9576023 BLHRCJAFWSRJDV-CQSZACIVSA-N 435.477 1.687 0 40 IDAB CCOc1ccc(NCCN2N=C(C)[C@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 10108874 KFEAQVZGHXGYON-AWEZNQCLSA-N 425.493 1.701 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccccc1Cl 11906103 VTDQOJUADUARRX-UHFFFAOYSA-N 444.918 1.894 0 40 IDAB O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031057 OZFGMAFEPZMZGG-HNNXBMFYSA-N 429.466 1.856 0 40 IDAB Cc1c([C@@H]2C[C@@H](C(=O)Nc3ccc(Br)cc3)N(C)S(=O)(=O)N2)cnn1C 12130937 URJAIVHSXRDEMA-GJZGRUSLSA-N 442.339 1.709 0 40 IDAB CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)Cc1cccc2ccccc12 12293071 OAJWTGHKAOVEMZ-GOSISDBHSA-N 427.526 1.927 0 40 IDAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2Cl)CC(=O)N3)CC1 12389216 WXZXYHFZILVMKG-NSHDSACASA-N 444.879 1.190 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)n(C)c1=O 12525333 RYMRMNFTZIOWTO-UHFFFAOYSA-N 449.515 1.615 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(-c3cccnc3)n1C)C2=O 12584620 HCJPFHNSMKKHIY-UHFFFAOYSA-N 429.506 1.501 0 40 IDAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)N1CCN(CCc2ccccc2)CC1 12877004 ZGGUPUIXJQPOMV-UHFFFAOYSA-N 440.569 1.892 0 40 IDAB COc1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1S(=O)(=O)N(C)C 13100045 LKOUBCUIMAJVIK-FQEVSTJZSA-N 446.485 1.058 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NCCc2c[nH]c3ccccc23)CC1 13128276 MJDPRGSNCLNSOF-UHFFFAOYSA-N 445.545 1.438 0 40 IDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 13164559 CPIJWVVYDPLENR-PMACEKPBSA-N 427.526 1.119 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(OCC)cc2)CC1 13633375 VEUNZYDZZVRRSI-UHFFFAOYSA-N 427.523 1.397 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 14867833 YGWYEVZTUJSWOR-UHFFFAOYSA-N 425.532 1.432 0 40 IDAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 16594466 MVQZBZLDDQXELP-QHCPKHFHSA-N 436.468 1.622 0 40 IDAB CCC(CC)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(S(=O)(=O)N(C)C)CC3)C1 19500146 GFJOITOSMHHQMC-OAHLLOKOSA-N 439.582 1.077 0 40 IDAB CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 20033008 MVYWLTNSPFJWDN-UHFFFAOYSA-N 439.559 1.271 0 40 IDAB COc1ccc(C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)cc1S(=O)(=O)N1CCCC1 22612100 SNABEILNLANWIQ-HOTGVXAUSA-N 425.551 1.319 0 40 IDAB COc1ccc(CN[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NCc4ccccc4)N3C2)cc1 22936803 DEFWQFKEHNVWQS-XJUOHMSHSA-N 436.556 1.823 0 40 IDAB biogenic,in-vitro O=C1CN(S(=O)(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)CCN1 24489123 LASSRGJTJHVUCW-UHFFFAOYSA-N 426.498 1.261 0 40 IDAB O=C(NCc1cccnc1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36360753 USJMXUJBZHLWAW-QGZVFWFLSA-N 428.514 1.535 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CN(C)c2ncccn2)cc1 40072741 BPJZCVUIYFUECO-AWEZNQCLSA-N 435.506 1.170 0 40 IDAB COc1cccc(N2C[C@H](C(=O)N3CCN(CCn4nc(C)cc4C)CC3)CC2=O)c1 62022065 YZUJJRZMJIZQLS-LJQANCHMSA-N 425.533 1.706 0 40 IDAB Cc1c([C@H]2C[C@H](C(=O)Nc3ccc(Br)cc3)N(C)S(=O)(=O)N2)cnn1C 72335081 URJAIVHSXRDEMA-HUUCEWRRSA-N 442.339 1.709 0 40 IDAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](Cn4ccnn4)C3)cc2)C[C@@H](C)O1 89936764 YNHHHLZSARFIDF-KURKYZTESA-N 447.561 1.628 0 40 IDAB CCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 95405432 OCQPEUGTGDLKSW-UHFFFAOYSA-N 425.507 1.527 0 40 IDAB O=C(Nc1ccccc1)N1CCC2(CC1)O[C@H](C(=O)N1CCOCC1)Cn1ccnc12 96144816 YEJPXJCDXQTFLV-SFHVURJKSA-N 425.489 1.664 0 40 IDAB CCOC(=O)OC[C@H]1O[C@H](Oc2ccccc2Cc2ccc(OC)cc2)[C@H](O)[C@@H](O)[C@@H]1O 114243644 QLXKHBNJTPICNF-BDHVOXNPSA-N 448.468 1.646 0 40 IDAB COC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)c2ccccc2O1 226045052 YZSBBBOOPWAHBM-LJQANCHMSA-N 448.497 1.591 0 40 IDAB CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)c3cc(F)ccc3OC[C@H]12 257230717 GDPPIAVMMJHPBC-JRGHJUJSSA-N 426.481 1.097 0 40 IDAB Cn1c(CCCC(=O)N2CC[C@@](C)(O)[C@H](n3cnc4c(N)ncnc43)C2)nc2ccccc21 257321919 WDVPAAOFDBMIIP-UZUQRXQVSA-N 448.531 1.843 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1OC 409111308 BNLHDNYGIKNQIR-UHFFFAOYSA-N 433.530 1.327 0 40 IDAB Cc1ccc(Cl)cc1S(=O)(=O)N(c1cccc(O)c1)[C@H]1CS(=O)(=O)C[C@H]1O 575425952 JNGYGZPTEGXCOS-JKSUJKDBSA-N 431.919 1.707 0 40 IDAB CC(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1363445 FCMLEYGDPGIQDW-OAHLLOKOSA-N 431.580 1.110 0 40 IDAB CC(C)CNC(=O)NC(=O)COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 3367071 DJVYSQKNDRPJJQ-YWZLYKJASA-N 437.493 1.741 0 40 IDAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O 3452509 WOANVECZZGNKSC-UHFFFAOYSA-N 425.411 1.777 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccc2c(c1)OCO2 8749835 BAZNEZVRJUEECW-ZDUSSCGKSA-N 434.470 1.560 0 40 IDAB O=C(C[C@H]1CCS(=O)(=O)C1)OCCCN1C(=O)c2ccc(Br)cc2C1=O 8763856 NVQZAASFFMGAGA-LLVKDONJSA-N 444.303 1.803 0 40 IDAB CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3ccc(F)cc3)c2n1 8947426 FSUWWLROZWNLOY-UHFFFAOYSA-N 430.509 1.883 0 40 IDAB O=C1CSc2ccc(C(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)cc2N1 9217584 LNNBYPPLHGDKFR-SFHVURJKSA-N 439.493 1.997 0 40 IDAB O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nnc(SCC(=O)N2CCOCC2)s1 9391031 UMPQIRMHJIOBCL-RQOWECAXSA-N 434.499 1.870 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1[nH]nc2ccccc12 9663961 DPOPSKNSTJAMJL-UHFFFAOYSA-N 432.458 1.617 0 40 IDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9765487 RJCYLWLSJYTKKN-FQEVSTJZSA-N 429.542 1.712 0 40 IDAB COc1cc(OC)nc(NC(=O)COC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)n1 10540071 JCDCWLPCHUVSTJ-SFHVURJKSA-N 430.461 1.739 0 40 IDAB CCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)cc1S(=O)(=O)N(C)C 12523310 LEDVRIQHHSAQOT-UHFFFAOYSA-N 434.518 1.746 0 40 IDAB COC(=O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12751987 JAQWUKMSRDGSES-INIZCTEOSA-N 438.502 1.023 0 40 IDAB Cc1cc(C)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 12765872 CYPDEHRIYZGVJH-UHFFFAOYSA-N 441.351 1.796 0 40 IDAB COc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1OCC(=O)N1CCOCC1 13146547 RRLMLRNXWXMOMB-FQEVSTJZSA-N 441.528 1.966 0 40 IDAB NC(=O)C1CCN(C(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3ccccc32)CC1 13607460 ZUCFUXUANIWWKI-UHFFFAOYSA-N 440.887 1.530 0 40 IDAB COc1cc2cc(C(=O)NCC(=O)N=c3[nH]c4ccccc4[nH]3)n(C)c2c(OC)c1OC 13693244 HHRWNOXESSVAII-UHFFFAOYSA-N 437.456 1.871 0 40 IDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 14829240 YNIGVDJCFAVVNA-HDICACEKSA-N 431.514 1.751 0 40 IDAB COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC 15700735 KHBVDOMWCVFQMZ-UHFFFAOYSA-N 434.514 1.963 0 40 IDAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C 18378288 HWOVHKYIBDYZBV-CYBMUJFWSA-N 432.454 1.793 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CCN(C(=O)CCN2C(=O)NC(C)(C)C2=O)C1 19460120 CWZJRKWETUHISB-JOCHJYFZSA-N 428.489 1.063 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19520417 JWQFUOHKEXWFQE-KRWDZBQOSA-N 431.518 1.240 0 40 IDAB Cc1c(C(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ccccc34)C2)cnn1C 19697688 RSGAUSCBHVPHIL-MRXNPFEDSA-N 428.514 1.879 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cn2nc(C)nc2C)C1 19703951 UGZRVDKMXWBNGY-HNNXBMFYSA-N 442.545 1.897 0 40 IDAB COc1ccc(CNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC 20039155 SAZVKDFAEXNBIY-UHFFFAOYSA-N 438.502 1.803 0 40 IDAB COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 20456299 XBIRQENJWCWXQF-UHFFFAOYSA-N 442.515 1.954 0 40 IDAB CCCCn1nc(C(=O)OCc2nc(CC(=O)Nc3ccccc3OC)no2)ccc1=O 21236118 SMLVLLSSIUXSFP-UHFFFAOYSA-N 441.444 1.973 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 22987600 YHEZQSPUICOJFA-UHFFFAOYSA-N 448.469 1.400 0 40 IDAB COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 24363972 WZMWEBNBALAFGS-UHFFFAOYSA-N 448.526 1.049 0 40 IDAB CN(C)C(=O)[C@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c2ccccc2O1 32810569 NMQOFRNAIHKMME-LJQANCHMSA-N 429.498 1.505 0 40 IDAB COc1ccc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)N(C)C 32905744 SBUAOKKBIKARBQ-UHFFFAOYSA-N 433.486 1.848 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(NC(=O)Cn3cccn3)cc2)c1 36396900 CSPCJHLMIXMFLM-UHFFFAOYSA-N 428.470 1.991 0 40 IDAB CCn1nc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C 36614643 CWSQCZDFQIGXDR-UHFFFAOYSA-N 446.982 1.868 0 40 IDAB CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 58014684 VGGXHACUVIEFRO-HOCLYGCPSA-N 432.539 1.262 0 40 IDAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 58224644 JZOJMRRCSHYJRA-ZDUSSCGKSA-N 433.472 1.518 0 40 IDAB CS(=O)(=O)N1CCN(Cn2nc(-c3ccc(Br)cc3)ccc2=O)CC1 79491192 BWQXYARHFPTYNR-UHFFFAOYSA-N 427.324 1.208 0 40 IDAB COc1cccc(CC(=O)N2CCC3(CC2)[C@@H]2CN(C(=O)N(C)C)C[C@@H]2C(=O)N3C)c1 96262278 MMPWUSSRICMWHP-RBUKOAKNSA-N 428.533 1.301 0 40 IDAB Cc1c(-c2cccs2)nn2c(O)c3c(nc12)CN(C(=O)CN1CCC(C(N)=O)CC1)C3 100215551 HVTIEJVRUZOUDO-UHFFFAOYSA-N 440.529 1.511 0 40 IDAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cccnc2)[C@H]31 102026703 MLQZGIPLWFHGLW-IHQCCAQOSA-N 443.506 1.389 0 40 IDAB CCc1ccc2c(c1)[C@]1(N[C@@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 105379220 WZMLRSVHAXQUKU-HEIFXHCZSA-N 433.508 1.593 0 40 IDAB biogenic COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(C)cc2)C1 138751588 IMFFKNYSFHXLGK-MRXNPFEDSA-N 425.441 1.679 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c1 224265181 MJHXPCIORUPJQZ-UHFFFAOYSA-N 444.531 1.311 0 40 IDAB CC(C)[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C[C@@H]([C@H]2C=C[C@@H](C)C2)C1=O 245229367 WBHZECPWZFPNII-MCPREKNCSA-N 433.530 1.884 0 40 IDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)N1CCC(n2c(=O)oc3ccccc32)CC1 247948179 RSLIZHXGUAWWAG-LNXKQEQDSA-N 447.491 1.811 0 40 IDAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)N5CCCCCC5)C[C@H]4C3)ncn2)n1 585616160 OTZJMYARHMQIBE-KDURUIRLSA-N 445.593 1.768 0 40 IDAB Cc1ccc(C)c(C(=O)NC[C@H]2OC[C@@H](n3ccc(O)nc3=O)[C@@H]3OC(C)(C)O[C@@H]32)c1 2037977831 NLJRNMWUBHLLLH-ZAWLATJESA-N 429.473 1.456 0 40 IDAB COc1ccccc1S(=O)(=O)N[C@H]1CO[C@]2(CCCN(c3ncnc4[nH]cnc34)C2)C1 2056225714 ZNWARMZCLKVRNM-JLTOFOAXSA-N 444.517 1.468 0 40 IDAB CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C 880895 BBFLRKZUILIECC-UHFFFAOYSA-N 432.502 1.836 0 40 IDAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2N)cc1OC 2263587 ZLWKGZGDRCWKCE-UHFFFAOYSA-N 428.474 1.506 0 40 IDAB Cn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccc(C(C)(C)C)cc1 3351988 FGDPZYUUVKLJHO-UHFFFAOYSA-N 442.545 1.734 0 40 IDAB COc1cc(C2=NC3=NC(C)=C(C(N)=O)[C@H](c4ccc(O)cc4)N3N2)cc(OC)c1OC 9637902 DEHDLCKGAJBHFG-SFHVURJKSA-N 437.456 1.855 0 40 IDAB COc1ccc(N2C[C@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[nH]3)CCC4)CC2=O)cc1 9660406 UCQWASCFMQEZPO-CQSZACIVSA-N 448.483 1.753 0 40 IDAB COc1ccc(CNC(=O)[C@@H](C)N2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 9683092 ISYCDTVQVSFOSE-MCMMXHMISA-N 425.441 1.896 0 40 IDAB CN(C)CCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 9747402 JRIGHMXXPXEXTB-MRXNPFEDSA-N 444.985 1.067 0 40 IDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C 9835144 MABJSGRLGQMEAA-UHFFFAOYSA-N 449.529 1.759 0 40 IDAB Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCCN2S(=O)(=O)c2cccs2)cc1 12140270 HBEWFLHWYQHGJO-MRXNPFEDSA-N 437.543 1.226 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(Cc3ccncc3)CC2)cc1 12551180 RHRNOYFMEPASMD-NRFANRHFSA-N 428.558 1.888 0 40 IDAB O=C(CSc1nnnn1C1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12678622 UKENJXJXSFZRBQ-UHFFFAOYSA-N 437.547 1.784 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1C 12821178 VSGVMBHXMNVJQJ-NRFANRHFSA-N 444.513 1.422 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1 13128179 UGJDKRRPNHHZRL-UHFFFAOYSA-N 436.538 1.548 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Cn3ncc(=O)c4ccccc43)CC2)cc1 14240768 SKBIMBDRYZGIEY-UHFFFAOYSA-N 440.525 1.628 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)N3CCOCC3)c12 16992992 QYFRMWBRDXHKRO-AWEZNQCLSA-N 430.486 1.832 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)N3CCC[C@H](C)C3)CC1)CNC2=O 19496460 DTHKSNQUMAYSDV-QMHKHESXSA-N 429.517 1.827 0 40 IDAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCOCC3)cc2c1 19563407 GEDLICMZCLQONS-LPHOPBHVSA-N 426.477 1.124 0 40 IDAB CN1CCN(CCCNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 22934637 PWUKGJDPVGWNRM-UHFFFAOYSA-N 430.574 1.882 0 40 IDAB O=C(NCCN1CCOCC1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 23006281 FEMHWIANPKBENM-UHFFFAOYSA-N 442.541 1.728 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)C3CCN(C(N)=O)CC3)CC2)c1C 32992599 URWXVBMYHDHZCJ-UHFFFAOYSA-N 436.578 1.544 0 40 IDAB CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)[C@@H]3COc4ccccc4O3)o2)cc1 35590062 QYCOBCWOTLVWLV-INIZCTEOSA-N 430.442 1.765 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1F)C(=O)OC 36569469 DSYUJWZJRZLQML-QAPCUYQASA-N 436.415 1.840 0 40 IDAB COc1ncnc(N(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 79061311 ZTKOXGNYKLGNIL-OKILXGFUSA-N 449.533 1.601 0 40 IDAB Cc1n[nH]c(SCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 226081929 GDEPTFFTIYUYON-ZDUSSCGKSA-N 427.527 1.561 0 40 IDAB CCC[C@H](C(=O)NC1CCCC1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2cc(C)on2)[C@@H]3C1=O 227207291 OTJCTTXTJXFQQX-AXKRAVOISA-N 442.516 1.931 0 40 IDAB CC(C)N1CCN(C(=O)c2nc([C@H]3CCCN(S(C)(=O)=O)C3)n3ccccc23)CC1 306133466 MMHAIFYAFVRZCV-KRWDZBQOSA-N 433.578 1.640 0 40 IDAB CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)CN(C(=O)c3ccncc3)CC2)C1 306136686 QAFPNWAMCHQPJY-QHCPKHFHSA-N 436.516 1.302 0 40 IDAB COCCN1C[C@]2(CCN(Cc3cccnc3OC)C2)Oc2ccccc2S1(=O)=O 306140150 ULTSYMOCLIKMHY-OAQYLSRUSA-N 433.530 1.764 0 40 IDAB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)NC[C@@H]4CCCO4)cc3C2=O)s1 408689623 SIENDKOLUGNGKQ-LBPRGKRZSA-N 430.442 1.099 0 40 IDAB O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CCC(S(=O)(=O)N2CCCC2)CC1 506524535 OCUCHBILEMBOJF-HXUWFJFHSA-N 433.574 1.637 0 40 IDAB CCOC1CC(CNC(=O)N(CCNC(C)=O)Cc2ccsc2)(N2CCOCC2)C1 511904079 LNFDUNMABWEXJD-UHFFFAOYSA-N 438.594 1.666 0 40 IDAB CC(=O)N[C@@H]1CO[C@@H]2CCCN(Cc3ccc(OCCOCCO)cc3)[C@@H]2C[C@@]1(C)O 585270425 WEVNUEXFEKUAEZ-SSGKUCQKSA-N 436.549 1.083 0 40 IDAB CN1C(=O)COc2ccc(NC(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)cc21 1544268275 KFXJYWGTOKXWPN-MAUKXSAKSA-N 427.432 1.324 0 40 IDAB Cc1cc(=O)c(O)c(C2(CC(=O)NC3CCN(c4ncccn4)CC3)CCOCC2)o1 1547138722 FVNPGHLFCZTLFV-UHFFFAOYSA-N 428.489 1.667 0 40 IDAB biogenic COCCC(=O)N1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1 1615525575 IGRJLGBOTLIWEO-HSZRJFAPSA-N 429.517 1.517 0 40 IDAB C[C@@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)[C@@H](O)c1c(Cl)cccc1Cl 1630183196 YRIWNRUSZIWSSC-XLKFXECMSA-N 434.301 1.400 0 40 IDAB COC[C@@H]1CC[C@H]([C@H]2COCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)O1 1657114466 LUBNFNKHEPUKHZ-GDIGMMSISA-N 438.546 1.890 0 40 IDAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3379004 RREKEANDCZYXOP-UHFFFAOYSA-N 449.485 1.297 0 40 IDAB CN(C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 4236529 UBEUAQIGIWZKAX-JKSUJKDBSA-N 430.530 1.156 0 40 IDAB biogenic,in-vitro CCCOc1c(Cl)cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OCC 8824726 TYTIMQSOXGKDPV-CYBMUJFWSA-N 433.910 1.988 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(N)=O)CC1 8971166 JAQOPFGIABGLHP-KKVAFCGZSA-N 446.523 1.433 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 9068046 TYAFFARJUFWYPD-KRWDZBQOSA-N 443.481 1.713 0 40 IDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9548450 PSEXOZSSQGDNIV-GOSISDBHSA-N 429.477 1.695 0 40 IDAB Cc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 12140225 KIOAMXIDKSPAMG-IBGZPJMESA-N 449.504 1.304 0 40 IDAB Cc1ccc(C)c(Cn2c(CN3C[C@H](C)O[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 12539107 BOKBJZBKPBOLMX-CALCHBBNSA-N 425.533 1.708 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 12972999 HGBQMYPTDYXINH-UWJYYQICSA-N 433.530 1.108 0 40 IDAB CC(=O)O[C@@H](COc1ccccc1)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 13990338 KALOVFSCFQHMHD-GFCCVEGCSA-N 437.250 1.197 0 40 IDAB Cc1ccc(CN2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)cc1 17051811 YKCOJEQPFCVFBM-FQEVSTJZSA-N 441.553 1.877 0 40 IDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)O[C@H](C(=O)N1CCOCC1)c1ccccc1 17652727 XESADIQBOUZQEJ-FQEVSTJZSA-N 426.425 1.288 0 40 IDAB COc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 18151529 DRLPBQJWVMEPTR-UHFFFAOYSA-N 434.514 1.584 0 40 IDAB Cc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)c1 19234766 YEFMOOZFPLOSOQ-IBGZPJMESA-N 444.557 1.692 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O 19699598 UHMXFXLYWBWGGE-LJQANCHMSA-N 440.544 1.789 0 40 IDAB COc1cc2c(cc1OC)CN(CC(=O)N1CC[C@H](c3ncc(C(N)=O)c(C)n3)C1)CC2 19758225 CQQPEVLEZAEQIJ-INIZCTEOSA-N 439.516 1.275 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)nn4)CC3)C2=O)cc1 19890269 MHPPPRVNYOPOHE-MRXNPFEDSA-N 443.891 1.761 0 40 IDAB COc1cc(CNCCNC[C@@H](C)O)ccc1OCc1nnnn1-c1ccc(C)cc1 22108295 BBKFGMKBNCFYCP-QGZVFWFLSA-N 426.521 1.618 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)CC2)cc1 22653303 UFHQQTCFNBVVBV-UHFFFAOYSA-N 443.481 1.367 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1OC 22796363 JNFKPNBBQHKNQT-IBGZPJMESA-N 444.507 1.886 0 40 IDAB O=C(COc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)NCc1ccco1 22852812 XKNIZEQDBTUSOB-UHFFFAOYSA-N 441.440 1.479 0 40 IDAB CCCn1c(=O)n(CN2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c2ccccc21 22934148 NMQHNXCAPNOBKF-UHFFFAOYSA-N 432.528 1.996 0 40 IDAB COc1ccc(N([C@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1Cl 22934921 YSRZUINKKYPTMH-OAHLLOKOSA-N 447.001 1.257 0 40 IDAB CCOC(=O)C1=C(CSc2nnnn2C[C@H]2CCCO2)NC(=O)N[C@H]1c1ccccc1 29798598 MXKXHHDJIPDPJL-PBHICJAKSA-N 444.517 1.816 0 40 IDAB CN(C(=O)C1CC1)c1ccccc1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 40149084 JOOJEQDAZPOBBC-UHFFFAOYSA-N 448.589 1.938 0 40 IDAB O=C(Nc1ccc(-n2cncn2)nc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 48311202 FTIRMEHRNSYWFS-UHFFFAOYSA-N 445.480 1.776 0 40 IDAB CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 71850256 JZTKNDGOCLNBRB-OAHLLOKOSA-N 428.557 1.621 0 40 IDAB CCCCS(=O)(=O)N1CCC(C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)CC1 72305123 GQFQBFGRANRFIK-LJQANCHMSA-N 443.610 1.458 0 40 IDAB CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCC(CCC(N)=O)CC1 95454977 QJZIEUQHSUSRBQ-UHFFFAOYSA-N 426.539 1.845 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 100697240 SJWDWGSGUKIIHK-CALCHBBNSA-N 441.484 1.768 0 40 IDAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)CCN2C(=O)CCC2=O)c2ccccc2O1 225873757 RQWAPRKPOSYXJS-HXUWFJFHSA-N 435.480 1.679 0 40 IDAB O=S(=O)(Cc1ccccc1)N1CCO[C@]2(CCN(S(=O)(=O)c3ccccc3)C2)C1 306142053 WNXGYHZKUBHESZ-HXUWFJFHSA-N 436.555 1.682 0 40 IDAB O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CN(CCO)Cc2ccccc2)C1 643550812 YYKPDGQCCPUIBG-JTHBVZDNSA-N 432.948 1.701 0 40 IDAB COc1ccc2nnc(C3CCN(C(=O)C[C@H]4CSc5ncc(C)c(=O)n54)CC3)n2n1 1888906680 KKMWPTAGDVPDOP-AWEZNQCLSA-N 441.517 1.441 0 40 IDAB NC(=O)C1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)CC1 780697 CCRNIVSKJLAKRD-UHFFFAOYSA-N 425.526 1.873 0 40 IDAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCN1CCCCC1)c1ccc(C)cc12 2196532 JUYHHLVKNBGYFL-NRFANRHFSA-N 429.546 1.983 0 40 IDAB COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 6135036 XMBXIWSRAICXIP-ROUUACIJSA-N 449.548 1.943 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n(C)c1=O 8719758 POTQPDXBGYHPCL-UHFFFAOYSA-N 435.488 1.556 0 40 IDAB O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccccn1 8991095 IFFUWYAEFGMYOP-UHFFFAOYSA-N 434.493 1.054 0 40 IDAB COc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C[C@@H]5CCCO5)C(=O)[C@H]24)O3)cc(OC)c1OC 9409820 LQAIALVFPHCXFW-UIALMVQISA-N 444.484 1.612 0 40 IDAB CCCCCCn1nc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 9492483 QKFFOIFRWWEOLZ-HNNXBMFYSA-N 449.529 1.437 0 40 IDAB COc1ccc(Cc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)o2)cc1 9497045 FQXLSUPXAPPSHT-UHFFFAOYSA-N 429.458 1.411 0 40 IDAB O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)NCc1ccco1 9540549 SVVOUZZCQFREKZ-UHFFFAOYSA-N 448.545 1.629 0 40 IDAB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 9783609 RTHPAZMVLUNYPR-UHFFFAOYSA-N 429.498 1.853 0 40 IDAB CCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3cc(Br)c(O)c(OC)c3)nnc12 10963463 PFMDWXFZGGSNEB-UHFFFAOYSA-N 449.265 1.625 0 40 IDAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCc1ccccc1F 11904722 CNBXGLNWZNXTLB-UHFFFAOYSA-N 426.491 1.988 0 40 IDAB CCN(C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)[C@@H]1CCS(=O)(=O)C1 12006114 YNNJGJMGQXCEFV-GFCCVEGCSA-N 434.923 1.056 0 40 IDAB C[C@H]1[C@H](c2ccccc2)OCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C 12417209 JMCAFHDDCDQCDJ-IFXJQAMLSA-N 429.498 1.388 0 40 IDAB NC(=O)Cn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1-c1cccs1 13005947 DVRWRWCDVXRBHQ-UHFFFAOYSA-N 429.483 1.798 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 14157256 ZTFCDTCGMMSZJI-OBQMCUGOSA-N 427.457 1.855 0 40 IDAB C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16032929 OKERUZQAHHXNIF-AVWHDBODSA-N 439.899 1.684 0 40 IDAB CSCC[C@H](NC(=O)c1cccc(C(=O)N[C@@H](CCSC)C(=O)O)c1)C(=O)O 16248640 AXBUJFLHFQYCHL-KBPBESRZSA-N 428.532 1.559 0 40 IDAB Cc1ccc(C)c(N2N=C(C(=O)O[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CCC2=O)c1 16867126 MAONZTHVXRMBKO-CVEARBPZSA-N 449.529 1.363 0 40 IDAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 19077843 IMOAGBOOYWJWLU-ZDUSSCGKSA-N 425.441 1.850 0 40 IDAB CN1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C2CCCC2)CC1 19589835 QTKPLEBVWNIVCS-HXUWFJFHSA-N 437.504 1.695 0 40 IDAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1C(=O)c1ccccc1 22789239 DYRKBIJPAQCEHL-IBGZPJMESA-N 441.553 1.661 0 40 IDAB O=C1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)CCN1 24562690 FABJNCOEFQPKJF-UHFFFAOYSA-N 443.403 1.958 0 40 IDAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCN1CCN(c2ncccn2)CC1 32333180 TYPBOXHMYLELRS-FQEVSTJZSA-N 442.539 1.699 0 40 IDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 35375293 OPNZIEVNEBUACP-UVRGCKFOSA-N 436.306 1.349 0 40 IDAB CS(=O)(=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 44857534 FELGNOOJSGQIPV-UHFFFAOYSA-N 431.971 1.259 0 40 IDAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1nccs1 44902395 DZRRYKPWVXMGON-UHFFFAOYSA-N 426.495 1.534 0 40 IDAB O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 48278515 IROXBXLUHXQRAT-ZIAGYGMSSA-N 434.436 1.280 0 40 IDAB C[C@H]1COc2c(N3CCN(C)CC3)c(N3CCN(C)CC3)cc3c(=O)c(C(=O)O)cn1c23 65739634 XWSLQLSKDDWMBP-HNNXBMFYSA-N 441.532 1.157 0 40 IDAB in-vitro COC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21 67318833 UIRDQUUTERLLOP-UHFFFAOYSA-N 449.463 1.899 0 40 IDAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCCc3n[nH]c(=S)n3C)cc(C(C)C)nc21 72272121 AGTQZIVYRWIERE-UHFFFAOYSA-N 445.549 1.628 0 40 IDAB COC(=O)c1ccccc1NC(=O)C[C@H](CN1CCN(Cc2cccnc2)CC1)C(=O)O 72403440 VQALZEFBAJQSMB-GOSISDBHSA-N 440.500 1.715 0 40 IDAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)Oc2ccccc21 113946539 HOXZWXRNTZPYJQ-OAQYLSRUSA-N 444.557 1.994 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)CC1 222623694 KAXMCWGWBAEZJF-UHFFFAOYSA-N 438.506 1.432 0 40 IDAB O=C(c1cnccn1)N1C[C@H]2[C@@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccc1 306124091 BFYXZKWZUTZNAL-ZWKOTPCHSA-N 437.481 1.348 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(n4nnc5ccsc5c4=O)CC3)cc21 390831027 PDXMABUMTYRTAV-UHFFFAOYSA-N 447.498 1.324 0 40 IDAB Cc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H](C)O)CC2=O)cc1 408616530 ZJAUKGOMXMLKBF-IRXDYDNUSA-N 425.485 1.862 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 408623559 OZMCADZLBVDRHC-UHFFFAOYSA-N 437.493 1.997 0 40 IDAB C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)O)CCC(=O)N[C@@H](c2ccccc2)C(=O)N1 643555668 YYUIMOWYKLZJNX-VHFSOBRXSA-N 439.468 1.404 0 40 IDAB COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2ccc3c(c2)n(C)c(=O)n3C)c1O 1547206068 VIAXQCRKAPDRHS-INIZCTEOSA-N 443.500 1.784 0 40 IDAB Cc1cn2nc(OCC3CCN(C(=O)[C@H]4CC(=O)N(C5CCOCC5)C4)CC3)ccc2n1 1888876289 ISKCOSDNEXUULK-SFHVURJKSA-N 441.532 1.683 0 40 IDAB O=C(Cn1cnc2ncccc2c1=O)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888897503 LBAGKYPXODKYCD-OKILXGFUSA-N 444.417 1.800 0 40 IDAB CC[C@@H](C)N(C(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 6053603 SBDYEUCTCHYIES-BIYNOUFRSA-N 425.503 1.771 0 40 IDAB Cc1cn2c3c(=O)n(CC(=O)c4ccc(F)cc4)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 6444629 CKWUAJRHTHOOCQ-INIZCTEOSA-N 439.447 1.659 0 40 IDAB CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccccc2C(C)C)c1=O 8224284 DZJYPCUODQJXJA-UHFFFAOYSA-N 429.521 1.601 0 40 IDAB CN(C)c1ccc(-c2nnnn2[C@H]2CO[C@@H]3[C@@H](NC(=O)NC4CCCCC4)CO[C@H]23)cc1 8636537 UNKWFXAOIRVHME-VNTMZGSJSA-N 441.536 1.745 0 40 IDAB biogenic,in-vitro O=C(CCNC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCc1cccnc1 9422512 SDCVQKMJERMQRC-UHFFFAOYSA-N 434.500 1.737 0 40 IDAB CC(C)CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1 9577657 FPULOGSZHYOEHJ-INIZCTEOSA-N 431.942 1.356 0 40 IDAB CCC[C@@H](C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1)c1ccccc1 9582551 KEQPIDQWDNPKFU-GOSISDBHSA-N 432.546 1.541 0 40 IDAB Cn1c(=O)n(CC(N)=O)c(=O)c2c1nc1n(-c3ccc(F)cc3)c(-c3ccccc3)cn21 9713364 XNDCZCCKSQHIME-UHFFFAOYSA-N 432.415 1.430 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)c2cc3c(s2)-c2ccccc2CC3)c(=O)n(C)c1=O 9814988 GKDBPSGSKBLITM-UHFFFAOYSA-N 425.466 1.533 0 40 IDAB NC(=O)c1ccc(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2CO)cc1 12231149 BNMHSAMFIRKUQU-UHFFFAOYSA-N 425.416 1.796 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 12819453 QSYVGWGIYUDKRX-DHZHZOJOSA-N 427.526 1.902 0 40 IDAB COc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N(C)C 14493634 OBXAKNUPSMQULQ-UHFFFAOYSA-N 438.481 1.523 0 40 IDAB CC[C@H](C)N(C(=O)CSc1nnnn1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 15227039 OQFIJYBEQYFDFG-KBPBESRZSA-N 439.563 1.577 0 40 IDAB COc1cccc(C2=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3S(=O)(=O)N2)c1 15682407 FXHIPEBRTNTUCA-UHFFFAOYSA-N 437.499 1.086 0 40 IDAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCN(C)CC2)s1 15943682 FPPNKYPBPBIYNN-UHFFFAOYSA-N 429.589 1.830 0 40 IDAB O=C(CN1CCN(C[C@@H]2CCCO2)CC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292016 CDPRIHLFTNNDMA-UXHICEINSA-N 443.592 1.082 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21533789 NEFKKKKIQYPPJX-UHFFFAOYSA-N 425.411 1.457 0 40 IDAB O=C(CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1)N1CCC(Cc2ccccc2)CC1 21704427 OZBFSJWFAHJSFF-UHFFFAOYSA-N 441.513 1.541 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)CNC(=O)[C@@H]3C[C@H]3C)c2)cc1 23190418 VOPXWRMELMSDCT-MLGOLLRUSA-N 433.486 1.912 0 40 IDAB O=CN1CCN(C(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 26113403 APBGUBCIXNNGFJ-FQEVSTJZSA-N 429.498 1.085 0 40 IDAB COc1ccc(OC)c(CN2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4=O)CC2)c1 29984931 JHCYKADIETXPPL-UHFFFAOYSA-N 425.485 1.869 0 40 IDAB O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCN(c2ncccn2)CC1 32794924 AACQFGUKBDOGON-AWEZNQCLSA-N 430.306 1.941 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(CC)S(=O)(=O)c2cc(C)ccc2OC)CC1 39985696 HOTCFRKNTDADAX-UHFFFAOYSA-N 426.535 1.816 0 40 IDAB Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)CCCn4cncn4)CC3)cccc2c1 48251146 LLAWZGDFOMOGAM-UHFFFAOYSA-N 428.518 1.448 0 40 IDAB COC(=O)c1ccc(CSc2nnc(NC(=O)CN(C)S(C)(=O)=O)s2)cc1 48984887 ZGPISXBYFOQNQT-UHFFFAOYSA-N 430.533 1.447 0 40 IDAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCSC[C@@H]2S(C)(=O)=O)C1 79093178 JYLUCTRBZZCZHR-CVEARBPZSA-N 425.532 1.131 0 40 IDAB Cc1nc(CN2CCNC(=O)C23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cs1 96230214 MCNLTUZJCFKLPA-UHFFFAOYSA-N 428.514 1.787 0 40 IDAB C[C@H](CNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CCN(c2ccccc2)CC1 101246247 JQHJDEHVDMZRGK-NQIIRXRSSA-N 434.540 1.832 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 216299742 SCSJSDYEXCJTIT-OAHLLOKOSA-N 434.518 1.667 0 40 IDAB O=C(NC1CC1)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CCCC2)C(=O)[C@H]13 222013846 TUORRBUWABAHCA-JAUHRSLLSA-N 427.545 1.807 0 40 IDAB CN1CCN(c2ccc(NC(=O)[C@H]3CCN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 222750815 MAQJDAVFBWQDCX-OAQYLSRUSA-N 444.557 1.994 0 40 IDAB Cc1cccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 224491202 LZWPSGHUMKOFME-UHFFFAOYSA-N 434.514 1.590 0 40 IDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 249700069 XFNASZKKNLWFAK-OYNPSCLESA-N 426.561 1.576 0 40 IDAB Cc1ccc(NC(SCC(=O)NC[C@H]2CCCO2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409371581 XFMXIGYMSOUSAS-OAHLLOKOSA-N 446.529 1.697 0 40 IDAB O=C(Cn1nc(-c2cccnc2)ccc1=O)NCCn1nc(-c2cccs2)ccc1=O 585174611 OZPMSJCCEURFCI-UHFFFAOYSA-N 434.481 1.407 0 40 IDAB COc1ccc(CNC[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc1OC 585290335 QKCNTTHEBMFZAD-UPVQGACJSA-N 428.529 1.751 0 40 IDAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNC2CCN(Cc3ccccc3)CC2)C1 585291100 KDSBROYBONYKQP-RSXGOPAZSA-N 437.584 1.808 0 40 IDAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3cn(C)c(C)n3)CC1)CC(=O)N2CC1CC1 1772596571 UQFVPYVMNSIDPM-UHFFFAOYSA-N 432.550 1.560 0 40 IDAB COc1ccc(-c2ncnc(N3CCN(S(=O)(=O)c4cnn(C)c4)CC3)c2F)cc1 1775972437 GFQGGMDQWFNBNM-UHFFFAOYSA-N 432.481 1.536 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5ccc(OC)c(F)c5)C[C@@H]4C3)nn12 1888941752 QTCWYIULPDPUTP-KBPBESRZSA-N 446.508 1.591 0 40 IDAB Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(Cl)c1 2264877 LZSXBXAKTFDQHO-UHFFFAOYSA-N 438.922 1.691 0 40 IDAB CN1C(=O)N(C)C(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4[C@@H]32)C1=O 2434377 SUNHHZBPRHZEJC-GOSISDBHSA-N 443.463 1.391 0 40 IDAB Cc1nc2cc(C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2n1-c1ccccc1 8670759 HEHSWCMOAIJTPR-MRXNPFEDSA-N 427.482 1.794 0 40 IDAB CC(=O)Nc1cccc(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)c1 9001388 KZQZZZUWXYVHDB-UHFFFAOYSA-N 444.451 1.599 0 40 IDAB O=S(=O)(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 9570272 KRJLUMOXEJCDLU-UHFFFAOYSA-N 427.523 1.256 0 40 IDAB Cc1ccc(N2C[C@@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1C 12180126 MMKZJWZOGZRHBA-KRWDZBQOSA-N 430.530 1.598 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCCC[C@@H]2C)c2c(C(N)=O)nc(-c3ccsc3)nc21 12276837 PRFAEIPSQWHASS-LBPRGKRZSA-N 428.518 1.841 0 40 IDAB Cc1cccc(CC(=O)NCCS(=O)(=O)N2CCN(CCc3ccccc3)CC2)c1 12422831 KRHABSXPZJSOND-UHFFFAOYSA-N 429.586 1.844 0 40 IDAB CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccccc1 12591083 JHEOVAHQWBCDBH-UHFFFAOYSA-N 445.541 1.817 0 40 IDAB O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c2ccc(F)cc2N1 12766102 CHTLMYMZICZVGH-HNNXBMFYSA-N 435.452 1.924 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)C1=O 12904656 UBCFXWOPTMZUSU-QHCPKHFHSA-N 438.484 1.949 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)N3CCC(c4ccccc4)CC3)c2)CCN1 13018633 CYEQUDZFQYCBLY-UHFFFAOYSA-N 427.526 1.827 0 40 IDAB O=S1(=O)C[C@H](N2CCN(c3ccccc3)CC2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 13371519 OEKRWZJVFQHMKW-PMACEKPBSA-N 438.546 1.587 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)cc1OC 16187619 DMUSSBPOCJFXRB-UHFFFAOYSA-N 447.557 1.669 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccc(C)cc3)[nH]c(=O)c2C1 19209752 RPTVWSNCSYYIJY-HXUWFJFHSA-N 438.528 1.906 0 40 IDAB COc1ccc(OCCN2CC(=O)N(c3cccc(OC)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 36081893 PDTDIWUTVWTLFQ-LEWJYISDSA-N 446.525 1.597 0 40 IDAB CS(=O)(=O)N1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 40061914 KTINTQAPRYQVCO-HXUWFJFHSA-N 429.542 1.568 0 40 IDAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(CC(=O)O)s3)CC2)cc1OC 49600860 YPWIPCWQVNMOFI-UHFFFAOYSA-N 440.543 1.899 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 57323251 FDNXRXMZSVZUOY-CQSZACIVSA-N 447.399 1.980 0 40 IDAB COCc1cc(=O)n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c(N2CCCC2)n1 67257010 OZFNZTVITXVPOP-UHFFFAOYSA-N 432.477 1.654 0 40 IDAB CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CCN(C)CC4)cc32)n1 96156461 FPIITPICGZHSLN-QGZVFWFLSA-N 432.550 1.158 0 40 IDAB O=C(c1cccnc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccc(Cl)cc1)S3(=O)=O)O2 96263996 YMKMBGLIEFSCCI-HBFSDRIKSA-N 433.917 1.933 0 40 IDAB O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3cnccc3Cl)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1 225518200 JESNYIJHIQEEIA-UUWMRLDISA-N 431.867 1.368 0 40 IDAB biogenic,in-vitro Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 225599771 IGTXVWUZGJUOMH-UHFFFAOYSA-N 431.440 1.977 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)cc1 257207652 BIQGLXCHXSYRMA-HNNXBMFYSA-N 434.518 1.459 0 40 IDAB O=C(NCc1cccnc1)[C@@H]1CN(CC2CC2)C[C@]2(CCN(C(=O)c3cccnc3)C2)O1 306142481 XAJRQCIQCIUQEO-URXFXBBRSA-N 435.528 1.489 0 40 IDAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1ccncc1 3641218 PXSMLEKVUSVFPK-GOSISDBHSA-N 449.320 1.200 0 40 IDAB CCOC(=O)[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1 6578191 KTCDLRSNASOVQY-NSHDSACASA-N 431.474 1.287 0 40 IDAB aggregator Cc1nn(CC(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1S(=O)(=O)N1CCOCC1 8745967 JMKOQODDHWWKQX-UHFFFAOYSA-N 446.529 1.531 0 40 IDAB CCNC(=O)[C@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 9125052 UXQSRDAHDKBODS-XJKSGUPXSA-N 435.525 1.996 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(nnn2-c2cccc(OC)c2)c1=O 9412802 KLXMUWWGLWPPBJ-UHFFFAOYSA-N 448.439 1.801 0 40 IDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9548451 PSEXOZSSQGDNIV-SFHVURJKSA-N 429.477 1.695 0 40 IDAB O=C(Nc1nnc(Cc2cccs2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 11694634 NAJSLNPAJJXVIL-UHFFFAOYSA-N 434.499 1.995 0 40 IDAB CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)Cn1ncc2ccccc2c1=O 12185403 MJEQWECSSGEVHF-AWEZNQCLSA-N 425.470 1.870 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(CCNS(C)(=O)=O)s1)C2=O 12813035 NSQVMZZEIWPYIX-KZULUSFZSA-N 427.548 1.523 0 40 IDAB NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16009745 PXGZMBIMSTYNMD-FAODYONGSA-N 436.443 1.012 0 40 IDAB Cc1ccc(C(=O)N2CCC[C@H](c3nc(O)c4c(n3)CCN(S(C)(=O)=O)C4)C2)cc1 19135218 RNYYURRQVIJFEZ-INIZCTEOSA-N 430.530 1.828 0 40 IDAB O=C(NCCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1)c1cccnc1 19695957 UPXZWPJFKTUDDB-UHFFFAOYSA-N 432.484 1.933 0 40 IDAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)nc2c1CCC(=O)N2C 19740580 MXGQQLHGSBJMQW-INIZCTEOSA-N 444.513 1.991 0 40 IDAB COc1ccccc1NC(=O)c1cnc(C2CCN(C(=O)CNC(C)=O)CC2)nc1C 19764244 LTWLYVKSBPNONH-UHFFFAOYSA-N 425.489 1.888 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3cccs3)CC2)cc1 21929622 OOWALLVPIUCGFD-UHFFFAOYSA-N 435.571 1.964 0 40 IDAB COc1ccc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1 22381060 FSXKPOIUEUXFQE-UHFFFAOYSA-N 441.531 1.350 0 40 IDAB CCN1CCC[C@@H]1CNCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 23352034 RSOYBLPYTIHWMG-OAQYLSRUSA-N 444.601 1.747 0 40 IDAB COC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 24837523 YSSSUSKGZUROJC-SECBINFHSA-N 425.326 1.201 0 40 IDAB O=C(NCc1ccc(N2CCOCC2)nc1)NC[C@H](c1ccccc1)N1CCOCC1 27342630 PZMGDXKLYLJQFL-OAQYLSRUSA-N 425.533 1.791 0 40 IDAB COc1ccc(N[C@@]2(O)CSc3nnc(Cc4ccc(C)cc4)c(=O)n3N2)c(OC)c1 35682822 SUZKOOHFFXGRDU-NRFANRHFSA-N 441.513 1.962 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 38836448 CMSCICHIDCWMNR-INIZCTEOSA-N 445.925 1.558 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccs3)CC2)CC1 38947023 MDTFJZPXHPGZQQ-JKSUJKDBSA-N 425.576 1.194 0 40 IDAB CC(=O)c1ccc(N2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 57350709 HAGCGAZWLWKJKZ-UHFFFAOYSA-N 444.557 1.018 0 40 IDAB COC(=O)Cn1ncc2c(N3CC[C@@H](OC)C[C@H]3CNC(=O)OC(C)(C)C)ncnc21 96005728 PQJSUUXOHGENHB-UONOGXRCSA-N 434.497 1.508 0 40 IDAB COCC(=O)N[C@@H]1CN(Cc2ccc(OCCN3CCC(C)CC3)c(OC)c2)C[C@H]1O 257309840 UCPINWZMDHTJPS-WOJBJXKFSA-N 435.565 1.114 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3OC)CC2)cc1OC 409110993 BBXVBFDGDDFLPD-UHFFFAOYSA-N 449.529 1.340 0 40 IDAB O=S1(=O)C[C@@H](N(c2cccc(O)c2)S(=O)(=O)c2cccc3cccnc23)[C@@H](O)C1 575426041 LFCCSZVGFSNALC-SJORKVTESA-N 434.495 1.294 0 40 IDAB Cc1cc(N2CC[C@](O)(CNCc3ccc(OCCN4CCOCC4)cc3)C2)ncn1 585274386 VUXLPYAVQUCMSB-QHCPKHFHSA-N 427.549 1.227 0 40 IDAB C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@]21C[C@@H]2C(=O)N[C@](C)(O1)c1nc3ccccc3c(=O)n12 1083809824 POEYRUBMWIOMTB-YUGBTJNTSA-N 443.463 1.220 0 40 IDAB N=c1cc(-c2c[nH]nc2[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc[nH]1 2037748824 GTCAEPHKBQOLEV-CQSZACIVSA-N 427.486 1.834 0 40 IDAB COC(=O)c1ccc(NC(=O)CSc2nnnn2Cc2ccc3c(c2)OCO3)cc1 1372390 XRNTXVNMZZHOLX-UHFFFAOYSA-N 427.442 1.968 0 40 IDAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)[C@@H](C)CC 4388795 GQMGPKYVBVSMLI-KSWRQPAISA-N 440.585 1.933 0 40 IDAB COc1ccc(N2C(=S)N(Cc3ccc(F)cc3)[C@H]3[C@@H](O)[C@H](O)C[C@@H](C(N)=O)[C@H]32)cc1 8253612 ULCQDLSOXRCJSC-WAPOTWQKSA-N 445.516 1.406 0 40 IDAB biogenic,in-vitro C[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)NC(=O)NC1CCCCC1 9987235 NLQCBUAQOXCDGR-SNVBAGLBSA-N 431.898 1.691 0 40 IDAB COc1ccc(NCCCn2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c(OC)c1 10049424 XQQZWZILBACQAJ-UHFFFAOYSA-N 426.477 1.812 0 40 IDAB O=S(=O)(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)N1CCOCC1 10119338 LTYLNTGFAHFHIX-UHFFFAOYSA-N 440.518 1.988 0 40 IDAB CCOC(=O)C1=C(COC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)NC(=O)NC1 10719012 NQYZTFQYRJTWJO-UHFFFAOYSA-N 446.847 1.481 0 40 IDAB O=C(Cc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 12391515 ATDZUPRXLBFCMS-UHFFFAOYSA-N 425.470 1.780 0 40 IDAB COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NC(C)(C)C)cc1OC 12715244 NJWOUYNZQLCZOV-SNVBAGLBSA-N 449.533 1.791 0 40 IDAB CS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 12881201 YQEYXYZFDZQKBB-UHFFFAOYSA-N 444.556 1.103 0 40 IDAB COCCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699875 SZNKGVGVQSOARS-IBGZPJMESA-N 428.533 1.601 0 40 IDAB CN(C)c1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@@H]2CCCNC2)n1 19709733 VSWPEYOGBNWTLQ-OAHLLOKOSA-N 447.561 1.602 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21 20635788 BESCMFDZTPDWST-NSHDSACASA-N 432.868 1.622 0 40 IDAB CCCn1nc(C(=O)N2CCCN(CC(=O)NC(C)(C)C)CC2)c2ccccc2c1=O 24181605 OPQUNHSSABCVBP-UHFFFAOYSA-N 427.549 1.869 0 40 IDAB COc1cc(OC)cc(C(=O)N2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)c1 26687382 HUNBOJWXLFDLKJ-UHFFFAOYSA-N 427.288 1.983 0 40 IDAB c1csc(-c2nnc(Sc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1 32603922 OPJKXSYFGYZUSY-UHFFFAOYSA-N 433.519 1.808 0 40 IDAB COCCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)ccc1OC 32889268 BQVIKIGEHUGAAM-ZDUSSCGKSA-N 436.486 1.840 0 40 IDAB Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2cc(S(N)(=O)=O)ccc21 32946743 RJYYQUNLXNBFKH-UHFFFAOYSA-N 434.499 1.358 0 40 IDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)C1 58086366 CODWTFBQTDTKEO-JKSUJKDBSA-N 425.555 1.661 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C(OC(C)=O)OC(C)=O)C=C[C@H]3O2)cc1 101357466 BUQHFGFRUJETAR-PEOGOYOCSA-N 443.408 1.129 0 40 IDAB biogenic C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@@]4(O)CCOc5ccccc54)cc1c32 101449199 NDKUWWVRFZAQRT-BSEYFRJRSA-N 435.480 1.808 0 40 IDAB Cc1nnc(N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)s1 101656114 CWXASFDLWVPAQF-MRXNPFEDSA-N 438.391 1.567 0 40 IDAB Cc1cc(C)nc(N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccco2)n1 101682066 IPLRTQLUYBDNRR-QGZVFWFLSA-N 436.350 1.407 0 40 IDAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223449562 QCHVYAQZCYIWEX-HSALFYBXSA-N 441.528 1.890 0 40 IDAB O=c1c(=O)n2c(nn1Cc1ccccc1)C[C@@]1(CCN(Cc3ccc4c(c3)OCO4)C1)C2 306134762 NXMNXYRPECRVSB-XMMPIXPASA-N 432.480 1.630 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(NC(=O)N[C@H](CO)c3ccc(F)cc3)c2)CC1 515700718 DNQIIPYBZBKFGU-LJQANCHMSA-N 436.509 1.617 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c(=O)n(C)c1=O 3244403 NFFVZVIYIJJUSV-UHFFFAOYSA-N 425.825 1.713 0 40 IDAB COc1ccccc1-n1c(C)nnc1SCC(=O)OCC(=O)NC(=O)NC(C)(C)C 3390022 YSPCWMWILKBYJD-UHFFFAOYSA-N 435.506 1.844 0 40 IDAB COCCN(CC(=O)N1CCN(c2ncccn2)CC1)Cc1nnc(-c2cccs2)o1 8756592 YZYSZQNKGCAWTE-UHFFFAOYSA-N 443.533 1.385 0 40 IDAB O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NC1CCCCC1 9128055 FEPOPJUMEOMZLX-UHFFFAOYSA-N 428.482 1.452 0 40 IDAB CCCN(C(=O)Cn1c(C)csc1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10109615 SFBGPFCDVVZSGV-UHFFFAOYSA-N 429.502 1.142 0 40 IDAB COC(=O)[C@](O)(COC(=O)c1cccc(Cl)c1)[C@](O)(c1nccn1C)C(F)(F)F 12558706 HALOWZHOEAFVJB-HZPDHXFCSA-N 436.770 1.585 0 40 IDAB CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2OC)cc1 13372043 UDPXKOABKGDBBH-ICSRJNTNSA-N 439.555 1.823 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 14571429 QVRXGIFQEYTQGB-KRWDZBQOSA-N 438.889 1.928 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)NC/C=C(/C)Cl)CC1)O2 19014324 ZISDHQJRPLLDOD-XLPSYMGOSA-N 435.908 1.828 0 40 IDAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C)CC3)cc2c1 19522974 DXJDFRVYYCUAQU-GHTZIAJQSA-N 437.548 1.593 0 40 IDAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)CN2CCNC(=O)C2)n1 19689860 MNYWIGGOBHBBSX-SFHVURJKSA-N 442.951 1.958 0 40 IDAB CCN(CC)CC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 19692635 RAXLMMGTRBGTGZ-IBGZPJMESA-N 440.548 1.550 0 40 IDAB Cc1cc(=O)n(CCC(=O)N2Cc3cn(C)nc3[C@@H](C(=O)NC3CC3)C2)c2ccccc12 19701443 LYCDHCBKJMBIES-IBGZPJMESA-N 433.512 1.838 0 40 IDAB COc1ccccc1[C@H]1N=C2NCN(CCN3CCOCC3)CN2c2nc3ccccc3n21 20101478 IUDVUVBXSPSKLJ-QFIPXVFZSA-N 447.543 1.920 0 40 IDAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1 23144250 DGPFFXYYLGCNTK-AWEZNQCLSA-N 430.891 1.185 0 40 IDAB O=C(CCCN1C(=O)CNC1=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 32731466 JNYKPFWBFNSLHO-UHFFFAOYSA-N 434.449 1.897 0 40 IDAB CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 57414527 XRKYJLQRRNQJOI-LJQANCHMSA-N 446.504 1.072 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)c2cccc(C)c2)sc2cc(S(N)(=O)=O)ccc21 100877402 AGNVGIBQJCPCBX-VZCXRCSSSA-N 433.511 1.963 0 40 IDAB COc1cc(CCC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OC)c1OC 101572659 OMFGARPHFLICCE-HZVDNRATSA-N 428.485 1.568 0 40 IDAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C(=O)O)cc2)c1C 225634718 VRAPKAAOGHZCCU-FZKCQIBNSA-N 433.442 1.685 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)cc1 257207653 BIQGLXCHXSYRMA-OAHLLOKOSA-N 434.518 1.459 0 40 IDAB CNc1nc([C@H]2CCN(S(=O)(=O)c3cc(F)ccc3OC)C2)nc2c1CN(C)CC2 257209374 BQDDQJNHZPKYEF-ZDUSSCGKSA-N 435.525 1.832 0 40 IDAB CCn1c(=O)oc2cc(NC(=O)CN3CCN(Cc4ccccc4)C[C@H]3C(N)=O)ccc21 257331129 XRNBEANCNPBXOV-IBGZPJMESA-N 437.500 1.225 0 40 IDAB CN(Cc1ccccn1)C(=O)[C@@H]1CN(CC2CC2)C[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)O1 306125543 CTSJCSGIHQYAFO-AWRGLXIESA-N 442.560 1.301 0 40 IDAB Cc1cc(C)cc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccccc2)c1 408603071 FEDSQCIZILJPRA-UHFFFAOYSA-N 431.558 1.947 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCC[C@H](COc3ncccn3)C2)cc1 1775968537 QDQYHHCWXREJGR-HNNXBMFYSA-N 430.486 1.610 0 40 IDAB C[C@@H]1CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C[C@@H](C)O1 3211086 FYIMWSZNJAFECY-CHWSQXEVSA-N 447.351 1.719 0 40 IDAB O=C(O)CSCC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 5433876 UIJZBJHFOCOWLO-IYVPYFHTSA-N 436.515 1.086 0 40 IDAB biogenic,in-vitro CC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(N(C(=O)c3cccnc3)S(C)(=O)=O)cc12 8870491 JNTKKSBKVJOAKJ-UHFFFAOYSA-N 449.510 1.961 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccco1 8995803 UXFSOUTUHAOUSO-XOBRGWDASA-N 427.457 1.818 0 40 IDAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1cccnc1 9344669 OJCQWMFVTLYXRB-HNNXBMFYSA-N 434.493 1.766 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(-c3nc4ccccc4o3)cc1)c(=O)n2C 10422189 VCBYGJOVKBNPFJ-UHFFFAOYSA-N 430.424 1.881 0 40 IDAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)c1ccc2c(c1)OCO2 12071546 FNKHFKSLOHMLOO-UHFFFAOYSA-N 435.415 1.939 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1=O 12569103 QXAOZUFZYVWKFS-OAQYLSRUSA-N 441.488 1.216 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)cc1 13063565 IGVWSJKBAMDEKZ-UHFFFAOYSA-N 434.562 1.856 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@@H]([C@H](C)O)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 13556074 BUPDNDBUWANODG-BEBLALHPSA-N 439.443 1.136 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nnc(-c3cc(C)nn3C)o2)cc1 13615032 RYTOYNOOXGXKDL-HNNXBMFYSA-N 430.490 1.879 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)cc1 14391809 PUECUPAGOZTNKV-UHFFFAOYSA-N 443.481 1.330 0 40 IDAB COc1ccccc1NC(=O)[C@H]1CC(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N1 14608535 AYFSFFPYPRRPQS-GOSISDBHSA-N 425.464 1.840 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)ccc1OC 15735284 DOEUGSQWTNKCRL-UHFFFAOYSA-N 441.531 1.414 0 40 IDAB CC[C@@H](C)c1c(O)nc(SCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)[nH]c1=O 15958247 QGOFAJNZBOKJRV-MCIONIFRSA-N 430.530 1.889 0 40 IDAB biogenic CC(=O)OC[C@@H]1O[C@@H](n2c(Br)nc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]12 17423644 SPIGLDZVEURWTD-UFAOYGAJSA-N 428.243 1.152 0 40 IDAB Cc1ncsc1C(=O)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 19697764 CYVPABQUHJWVQT-UHFFFAOYSA-N 430.534 1.287 0 40 IDAB Cc1nc([C@H]2CCCN2C(=O)c2cccc(OCCN3CCOCC3)c2)ncc1C(N)=O 19756018 SRGFJPSXRKJBPX-HXUWFJFHSA-N 439.516 1.572 0 40 IDAB Cn1c(NCCCN2CCOCC2)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C 20326769 QVWZXDOMZLJSAY-UHFFFAOYSA-N 446.939 1.270 0 40 IDAB Cc1nc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)nn1-c1ccc(Cl)cc1 23102580 ADLQVBZNDJDOBY-UHFFFAOYSA-N 438.941 1.328 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)ccc21 27914709 KEBIRSHWBJDXKB-UHFFFAOYSA-N 432.477 1.163 0 40 IDAB CCOC(=O)C1=C(CSc2nnnn2C)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 36611790 SLFZVIHSXMZMRQ-INIZCTEOSA-N 448.505 1.329 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 36714065 UPARRYFDZKFNQV-OAHLLOKOSA-N 434.570 1.463 0 40 IDAB O=C(CSc1nnnn1-c1ccccc1)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386222 NUPZCASDEVJTJM-KRWDZBQOSA-N 434.481 1.932 0 40 IDAB O=C(Nc1ccsc1C(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1)c1cnccn1 67335852 CRCRNVJPVUFKTP-UHFFFAOYSA-N 449.492 1.844 0 40 IDAB O=C(NCc1ccc(Cn2cncn2)cc1)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 69454243 YFMMESKTQRGIOE-UHFFFAOYSA-N 429.477 1.790 0 40 IDAB Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(NS(C)(=O)=O)c3)n2)n1 70655948 IXBAZQYJQLKCDQ-AWEZNQCLSA-N 430.490 1.617 0 40 IDAB COC(=O)c1cnc(Oc2ccc(OCCO)cc2)c(S(=O)(=O)N2CCOCC2)c1 72307651 SBOLYYHYDGFQOH-UHFFFAOYSA-N 438.458 1.053 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)CC1 72327607 TYXXFWVZMZNRSA-WAIKUNEKSA-N 427.501 1.482 0 40 IDAB O=c1ccc(-c2cccs2)nn1C1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 72335425 PKDJYRLGXNLPOJ-AWEZNQCLSA-N 443.572 1.126 0 40 IDAB CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)n1 72337220 WOJNGQFGGQWSCE-UHFFFAOYSA-N 448.531 1.871 0 40 IDAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCCN1CCCC1=O)[C@]1(C2)NC(=O)c2cccnc2N1 72342626 HOAPDDJDVGCSKP-JOXUJNMQSA-N 425.533 1.888 0 40 IDAB O=C1CCc2cc(S(=O)(=O)NC[C@H](c3ccsc3)N3CCOCC3)cc3c2N1CC3 77200735 XNVDRPMUXDGSED-LJQANCHMSA-N 447.582 1.935 0 40 IDAB CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 79096615 WQQHRYGMAHICGL-UHFFFAOYSA-N 425.445 1.493 0 40 IDAB Cc1ccc(-n2nccc2NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)nn1 95461271 BKJBHZZSARWJJK-HNNXBMFYSA-N 441.517 1.160 0 40 IDAB COc1ccc(OC)c(N([C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 220215944 PMOGJYNCYVFLSQ-ZDUSSCGKSA-N 436.486 1.903 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2ncn[nH]2)C1 222548136 YHWLNWLISVNAJG-CQSZACIVSA-N 439.563 1.431 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)s1 223777532 GOONWZJLZNEHTL-VIFPVBQESA-N 448.523 1.736 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 253568386 LDYIHPBPQXJLCA-ZSTWQFLISA-N 433.464 1.281 0 40 IDAB C[C@@H]1CCCN(CCCNC(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)C1 253604426 VPOWUNSYBKEPHO-UZUQRXQVSA-N 442.564 1.184 0 40 IDAB Cc1c(C(=O)N2CCC([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)CC2)sc2ncnc(O)c12 257234013 GRSQNBYZOQOUGT-JDFRZJQESA-N 431.518 1.992 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)cc1C(N)=O 575613839 WHUCGXRICNJNIP-NRFANRHFSA-N 434.514 1.387 0 40 IDAB CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccccc2Br)CC1 575616056 OWGFVBPYSIBOBQ-UHFFFAOYSA-N 440.385 1.246 0 40 IDAB COc1cccc2cc(C(=O)N3CCC(S(=O)(=O)c4nccn4C)CC3)c(=O)oc12 585322658 XMIWQVJKDALRJN-UHFFFAOYSA-N 431.470 1.614 0 40 IDAB COCCCn1c(C(=O)NCCCN2CCCC2=O)cc2c(=O)n3ccccc3nc21 5307446 OZDYXSVWZYNVHQ-UHFFFAOYSA-N 425.489 1.428 0 40 IDAB CCOC(=O)/C=C1\SCC(=O)N1CCN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 8733859 VEAWLXWZBUKALQ-CPYXBQISSA-N 447.469 1.162 0 40 IDAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1ccncc1 9061004 QVJHBTMFVXHGLL-RDJZCZTQSA-N 448.520 1.443 0 40 IDAB CCSc1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1 9545750 ZQEMHNUFUCPPPI-UHFFFAOYSA-N 444.560 1.932 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H](c2ccc(O)cc2)n2nnnc2N1 10232389 JUOPOJMRRZRULV-GOSISDBHSA-N 437.412 1.721 0 40 IDAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1cccs1 12982494 ZIRKSVGYOZMQRM-UHFFFAOYSA-N 427.523 1.673 0 40 IDAB C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)C[C@@H](C)O1 13131121 GIFXKCJCWIXRPQ-OKILXGFUSA-N 431.924 1.745 0 40 IDAB COc1cccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)c1 13371509 QRJALOSGTYJRFC-OALUTQOASA-N 427.519 1.606 0 40 IDAB COc1ccccc1-c1nnc2ccc(OCCNS(=O)(=O)c3cccnc3)nn12 13539692 SNOTZGSBMOHLAR-UHFFFAOYSA-N 426.458 1.552 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nnc(-c3cc(C)nn3C)o2)cc1 13615045 VERAVHQIBURHOW-HNNXBMFYSA-N 446.489 1.579 0 40 IDAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCN(C=O)CC3)Oc3ccccc32)cc1 13673271 HUHFHYCIABQHRV-FQEVSTJZSA-N 429.498 1.252 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 14239236 FAERPQIMQZYLND-YQQAZPJKSA-N 438.546 1.994 0 40 IDAB COc1ccccc1CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 19569598 CRCFRSDCOBNPFC-KRWDZBQOSA-N 446.529 1.002 0 40 IDAB CC[C@H](C)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 29003947 KVJOCYLOSVFCRO-ZDUSSCGKSA-N 431.942 1.804 0 40 IDAB O=C(c1cccc(I)c1)N1CCN(S(=O)(=O)N2CCCC2)CC1 30209820 GROSFFFRCIXUNF-UHFFFAOYSA-N 449.314 1.390 0 40 IDAB COCCN(C(=O)c1cccc(-n2cccc2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32744478 PREGXHYGLLOZJH-UHFFFAOYSA-N 425.489 1.859 0 40 IDAB CCOC(=O)C1=C(CN2C[C@H](C(=O)NC)Oc3ccccc32)NC(=O)N[C@H]1c1ccco1 34867682 JQQFAYJWMQQASX-MJGOQNOKSA-N 440.456 1.464 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@@H]([C@@H](C)O)N[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 35363841 JBPHKLSPHJFFQO-PILDZVQMSA-N 449.507 1.613 0 40 IDAB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 40081142 QSPOBEDRXULVEY-IAGOWNOFSA-N 427.592 1.585 0 40 IDAB COc1ccc(CCN2C[C@@H](C(=O)N[C@@H](C)c3nnc4n3CCC4)CC2=O)cc1OC 58329535 RTRBNMNTYDMHQH-HOCLYGCPSA-N 427.505 1.510 0 40 IDAB O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395599 ZQPKJTGLWNZZSR-KWCYVHTRSA-N 435.472 1.629 0 40 IDAB Cc1nc(N2CC[C@@H](CN3CCOCC3)C2)cc(N2CC[C@H](CN3CCOCC3)C2)n1 84271842 CCICPYFGCQBENK-OYRHEFFESA-N 430.597 1.102 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 169685337 BUQHFGFRUJETAR-ACTFIFLWSA-N 443.408 1.129 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1 225604417 SYYQJPZRWWJRMU-UHFFFAOYSA-N 447.517 1.544 0 40 IDAB CC(C)c1nc2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(O)nc2=O)C1 257201756 AIXNJOLUVRWTPW-VGOFRKELSA-N 425.489 1.647 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)c1 575421328 IXUYTFQZLXOODF-HOTGVXAUSA-N 427.500 1.057 0 40 IDAB Cn1cc(-c2nccnc2CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 575621219 ZPRCDFLTOPWHBY-UHFFFAOYSA-N 426.502 1.592 0 40 IDAB CCn1cc(CN2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCN(C)C)[C@H]3CC2)cn1 2055793534 QLIHOCOQONQVMM-PMACEKPBSA-N 447.605 1.881 0 40 IDAB Cc1cc(C)n(-c2cc(N3CCN(CC(=O)N4C[C@H](C)O[C@H](C)C4)CC3)nc(C)n2)n1 2086889356 NKICTVANRHXPIQ-HDICACEKSA-N 427.553 1.345 0 40 IDAB COc1ccc(CCN2C[C@H](CN3C(=O)NC4(CCSCC4)C3=O)CC2=O)cc1OC 2298063133 PREGFHQPTHXNRF-MRXNPFEDSA-N 447.557 1.912 0 40 IDAB COc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)cc1 813701 XOSOYTWORZPHCA-UHFFFAOYSA-N 444.513 1.898 0 40 IDAB NC(=O)C1CCN(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 1100109 WBFFOJJWQBFMJW-UHFFFAOYSA-N 433.505 1.741 0 40 IDAB COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 2380945 GMCDNVSDZHKEPD-UHFFFAOYSA-N 434.514 1.930 0 40 IDAB CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 2722988 INXWVCJVINUPKX-ZDUSSCGKSA-N 428.470 1.111 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1c3cccc4cccc(c34)S1(=O)=O)C2=O 3305634 NPUVTFHNTHRJJM-UHFFFAOYSA-N 442.497 1.880 0 40 IDAB O=C(O)COCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12 3839539 IHKBGSKMDLNQFQ-PXNSSMCTSA-N 441.415 1.245 0 40 IDAB biogenic,in-vitro CC(=O)OC[C@H]1O[C@@H](N2CCc3ccccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4043410 RTRYJIOTUZUULJ-LLVBAIKDSA-N 449.456 1.132 0 40 IDAB CCc1ccc(O[C@H]2O[C@@H](C(=O)OC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 5049631 DRXDDSAONXSIMP-MERXZDIISA-N 438.429 1.321 0 40 IDAB CCn1c(CN2C(=O)c3ccccc3S2(=O)=O)nc2cc(S(=O)(=O)N(C)C)ccc21 9130053 WRWVAWFGTSHLAG-UHFFFAOYSA-N 448.526 1.651 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1ccccc1Cn1cccn1 10572893 VDLLWCNDOZWCPT-UHFFFAOYSA-N 436.516 1.409 0 40 IDAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCC(N)=O 12447832 LAIPIDSYQVUQMY-CXUHLZMHSA-N 438.440 1.399 0 40 IDAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 13141520 FHDWTDVYHLZTFR-MRXNPFEDSA-N 443.550 1.840 0 40 IDAB COc1cc(OC)cc([C@H]2C[C@H](OC(=O)Cn3ncc4ccccc4c3=O)C(=O)N2C)c1 13566051 BADQUUIKMHJQJZ-UXHICEINSA-N 437.452 1.929 0 40 IDAB COc1cc(-c2nc(CC(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc(OC)c1OC 13718630 SZVCPPGGQYAXRS-GFCCVEGCSA-N 426.516 1.682 0 40 IDAB COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)c(OC)c1 13769132 MIFMVXKCCWKQBM-ZDLGFXPLSA-N 425.441 1.806 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c(=O)[nH]c1=O 14655310 DOYKJYQWMIFIRL-HNNXBMFYSA-N 427.505 1.552 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(-n3cccn3)cc2)cc1 14677410 UEGABLYYIXMWLS-UHFFFAOYSA-N 428.470 1.852 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 15970500 WDTCIIAPTUSGIT-HSGJQSDISA-N 444.491 1.777 0 40 IDAB biogenic NC(=O)C1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)CC1 16479077 HNTVEJIOXXRFFY-UHFFFAOYSA-N 429.542 1.644 0 40 IDAB O=C(COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)NC(=O)NCCc1cccs1 19353085 UXXJIADZUNVRRQ-UHFFFAOYSA-N 448.432 1.316 0 40 IDAB O=C(CCCN1C(=O)CNC1=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19406695 OLLZBOQOQUBQMO-UHFFFAOYSA-N 443.529 1.612 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19520418 JWQFUOHKEXWFQE-QGZVFWFLSA-N 431.518 1.240 0 40 IDAB CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCc2ccccc21 32850822 JGYIHUOTRYEDKM-OALUTQOASA-N 436.555 1.572 0 40 IDAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1 35251279 RFUBCINVBXXIDX-UHFFFAOYSA-N 431.514 1.899 0 40 IDAB CN(C)C(=O)[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 58307603 XSRVFCHXGFDYOQ-LJQANCHMSA-N 446.529 1.659 0 40 IDAB Cc1nc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)sc1C(=O)N(C)C 70638110 GHHYILXNMNJWMW-AWEZNQCLSA-N 440.533 1.984 0 40 IDAB CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 96008972 PDOFJCVRZTWHOS-LLVKDONJSA-N 446.323 1.008 0 40 IDAB CCS(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)C1 100234668 SAGXNWCEFYMRHN-AWEZNQCLSA-N 433.534 1.259 0 40 IDAB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225713317 PXRFUVJATXSJOJ-JOCHJYFZSA-N 444.509 1.851 0 40 IDAB Nc1ncnc2c1ncn2[C@H]1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC[C@@H]1O 257275671 NQJWOPIEHOUKOY-OALUTQOASA-N 435.532 1.843 0 40 IDAB O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc4c(c3)OCO4)C2)C1 514289483 MHPWXXQUJCNITR-LEWJYISDSA-N 435.524 1.490 0 40 IDAB biogenic,in-vitro COc1cc([C@@H](CC(=O)N[C@H]2C=CS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O 524731796 KQRGDAUIDRPQMW-UONOGXRCSA-N 435.454 1.317 0 40 IDAB biogenic CC(=O)N[C@H]1CC2(CCN(C(=O)COc3ccc4c(c3)CCCC4)CC2)OC[C@]1(C)O 585267313 VQRPNDZZLKOLKO-GMAHTHKFSA-N 430.545 1.981 0 40 IDAB CC(=O)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643580855 VZFZISHKOZTEHY-LEWJYISDSA-N 433.549 1.351 0 40 IDAB Cn1c(=O)c2ncn(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c2n(C)c1=O 679444 UNUOAVRZIDKMHD-UHFFFAOYSA-N 430.877 1.849 0 40 IDAB COc1cccc(-n2c(O)c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c(=O)[nH]c2=O)c1 2145162 XZQUSEMXJRUMHM-INIZCTEOSA-N 426.381 1.517 0 40 IDAB biogenic Cc1cc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1C[C@H]1CCCO1 3295714 BMQVOIASQARFON-MRXNPFEDSA-N 439.468 1.713 0 40 IDAB COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)c4ccc(N(C)C)cc4)CCN3C2=O)cc1 3842048 ZOADOCYVOMHZDY-LEWJYISDSA-N 436.512 1.155 0 40 IDAB biogenic,in-vitro COC(=O)C1=C(C(=O)OC)[C@@H]2C=CC=C(c3ccccc3)N2C(C(=O)OC)=C1C(=O)OC 8387009 YMDHZJVASUXZFI-HNNXBMFYSA-N 439.420 1.524 0 40 IDAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N[C@H]1CS(=O)(=O)C[C@H]1O 8764459 QYEJYNLGGVATQN-ZWKOTPCHSA-N 429.450 1.113 0 40 IDAB biogenic C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc(Cl)cc1 8853040 HLNVRHRMVBOCHR-SMDDNHRTSA-N 441.893 1.376 0 40 IDAB CN1C(=O)c2cccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2C1=O 9066345 DAPXZDMQQYXPEK-MRXNPFEDSA-N 431.445 1.843 0 40 IDAB CSCC[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@H](C(=O)O)C(C)C 9130501 XQDAWIQTQMCMSY-HOCLYGCPSA-N 433.534 1.913 0 40 IDAB NC(=O)c1ccsc1NC(=O)COC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 9361482 HUWVFUGKPBCMEV-UHFFFAOYSA-N 445.906 1.351 0 40 IDAB O=C(NCCCc1ccccc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1 9576682 XYUSCMDSGAVGKG-FQEVSTJZSA-N 445.541 1.289 0 40 IDAB COc1ccc(NC(=O)COC(=O)/C=C/C(=O)OCC(=O)Nc2ccc(OC)cc2)cc1 9579988 RASHCFUVFXGHKJ-VAWYXSNFSA-N 442.424 1.924 0 40 IDAB CCOC(=O)c1sc(NC(=O)CN2CCN(CC)C(=O)C2=O)c(C(=O)OCC)c1C 9599694 AWSZSKGEVOWKAM-UHFFFAOYSA-N 439.490 1.039 0 40 IDAB COC(=O)c1cccc(NS(=O)(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 12236015 JITZLHNSESQDHR-OAHLLOKOSA-N 427.504 1.447 0 40 IDAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1=O 12691385 AMGVXQCAQBYZQN-UHFFFAOYSA-N 436.534 1.957 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 12777877 OFMOMLUEWXMJMD-UHFFFAOYSA-N 437.543 1.084 0 40 IDAB COc1ccc(OCCN2CCN(C(=O)CNC(=O)c3cc(Cl)ccn3)CC2)cc1 12795722 LAYGNRVTLAPJOZ-UHFFFAOYSA-N 432.908 1.697 0 40 IDAB CCCn1c(=O)n(C[C@H](O)COc2ccc(CC)cc2)c2cc(S(N)(=O)=O)ccc21 13006146 AZYYUNPDOIDHNR-INIZCTEOSA-N 433.530 1.863 0 40 IDAB CCN(C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 13132727 OKVKNCSZQABYEZ-AWEZNQCLSA-N 434.470 1.724 0 40 IDAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(Cn2nnn(-c3cccs3)c2=O)CC1 19345009 NVLWYAVFICKQDJ-UHFFFAOYSA-N 427.486 1.701 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CCN(C(=O)CCN2C(=O)NC(C)(C)C2=O)C1 19460118 CWZJRKWETUHISB-QFIPXVFZSA-N 428.489 1.063 0 40 IDAB COCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 22698747 DRIRVJSNVWFERL-UHFFFAOYSA-N 432.496 1.081 0 40 IDAB CCOc1cccc(N2C(=O)C[C@@H](N3CCN(CC(=O)Nc4ccccc4)CC3)C2=O)c1 22782612 AGCFZWHIQVSMRC-OAQYLSRUSA-N 436.512 1.974 0 40 IDAB CN(C)c1nc(N)nc(COC(=O)CCn2cnc3ccc(Br)cc3c2=O)n1 23516200 IFEHWGMRNKYSNZ-UHFFFAOYSA-N 448.281 1.126 0 40 IDAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SC[C@H]1CN(Cc2ccccc2)CCO1 23805284 TYNIQAMBSVHNCV-ZWKOTPCHSA-N 436.603 1.785 0 40 IDAB CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)CC1 24611824 OBMNKRZRXDAWTC-UHFFFAOYSA-N 437.562 1.838 0 40 IDAB Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 29800838 MZYCXSJZPLJDTI-KRWDZBQOSA-N 426.926 1.129 0 40 IDAB O=C(CCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)N1CCOCC1 32932798 PPWFKBRXOCDQMD-UHFFFAOYSA-N 436.361 1.549 0 40 IDAB O=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 36356913 QVJCIKAJSSLYGY-OAHLLOKOSA-N 445.497 1.405 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)NCCc1cccs1 36386006 RKYMXIMGXMWMLH-UHFFFAOYSA-N 433.599 1.902 0 40 IDAB Cn1ccnc1[C@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccc(Cl)cc1 36396041 COQVANQUJTWZQJ-MRXNPFEDSA-N 429.893 1.783 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)NC[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 54363269 CVSRMHCKOVFFDV-OAHLLOKOSA-N 442.559 1.966 0 40 IDAB NC(=O)Cn1nnn(-c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2)c1=O 77100178 IWSLCQJYJFLJHY-UHFFFAOYSA-N 442.435 1.791 0 40 IDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 84405651 SSYYPEMPGBAZTI-GJZGRUSLSA-N 446.510 1.834 0 40 IDAB O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 95963760 XEMJYPJJSUUHSN-UHFFFAOYSA-N 430.427 1.000 0 40 IDAB Cc1cccc(Cn2c(Sc3nnnn3-c3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 96306469 LZABTBUGQMHXPU-UHFFFAOYSA-N 446.496 1.907 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C 102129493 PEIJFJBVRAJPFY-KKUMJFAQSA-N 430.457 1.874 0 40 IDAB O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 224454141 MZNWZIRMIFZPJW-UHFFFAOYSA-N 426.516 1.065 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 225193381 WISKMQMKBSKARS-INIZCTEOSA-N 433.530 1.625 0 40 IDAB Cc1[nH]c2ccc(CNC(=O)CN3CCO[C@](C)(C(=O)N4CCOCC4)C3)cc2c1C 257204208 ATNIRVWHLRYOMF-QHCPKHFHSA-N 428.533 1.351 0 40 IDAB Cc1nc2cc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cnc5c(N)ncnc54)C3)ccc2[nH]1 257210276 BTXVTKSTXGALQC-VGOFRKELSA-N 434.504 1.750 0 40 IDAB O=C(Cc1ccccc1)N1CC[C@H]2Cn3c(nn(Cc4cccc(F)c4)c(=O)c3=O)[C@@H]2C1 306124660 BWAWGIOGKGLRAC-AZUAARDMSA-N 434.471 1.781 0 40 IDAB C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1 408614881 JGKNJKMXWUZNDR-FUHWJXTLSA-N 425.485 1.232 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(N[C@@H]3CS(=O)(=O)C[C@@H]3O)cc2)c(OC)c1 575426264 PYDRDWOQSIQGOR-CVEARBPZSA-N 442.515 1.074 0 40 IDAB CO[C@H]1CN(C(C)=O)CCCN(C(=O)c2ccc(C)cc2)CCCCOC[C@H](O)[C@@H]1O 643913233 MGYVQKRTTDVVGF-FKBYEOEOSA-N 436.549 1.223 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)cc1F 1888919431 KMIQBULUXHQBDR-ZIAGYGMSSA-N 432.481 1.337 0 40 IDAB COc1ccc(NC(=O)C[C@H]2SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)cc1 1797022 JYUISKHQRPNLNU-OAHLLOKOSA-N 434.499 1.781 0 40 IDAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCC2(CC1)OCCO2 2248399 VRBUFKZPOCIFIR-UHFFFAOYSA-N 433.461 1.749 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 8231384 FILZFNLAOVLMSO-JLCFBVMHSA-N 425.489 1.772 0 40 IDAB COc1ccc(CC(=O)NCCOc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1 8825442 HNGVUCMPZOMPJO-UHFFFAOYSA-N 448.541 1.762 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cnc2sccn2c1=O 9381280 XZSKMFIKMGPJPU-UHFFFAOYSA-N 428.455 1.599 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 9703334 PMJUPTQFYKUTDB-HNNXBMFYSA-N 448.497 1.957 0 40 IDAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccn2)CS(=O)(=O)C3)cc1 10250505 GVGQYANVXFBJPX-UHFFFAOYSA-N 425.470 1.259 0 40 IDAB COc1cccc(COc2coc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2=O)c1 11963456 MGUGFDMVBZZEHC-UHFFFAOYSA-N 444.465 1.805 0 40 IDAB Cc1cc(C(=O)CN(C)CC(=O)N2CCOCC2)c(C)n1C[C@@H]1COc2ccccc2O1 12819640 QPYCDPRXBSTXNO-LJQANCHMSA-N 441.528 1.918 0 40 IDAB Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1C[C@@H]1CCCO1 13115704 AVCXXXSMUSJFOT-ZDUSSCGKSA-N 433.896 1.567 0 40 IDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1 13543886 YSCNREZXFSZAQO-ROUUACIJSA-N 428.441 1.657 0 40 IDAB Cn1c(SCC(=O)NC2CC2)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17099675 UFQQCEIFKYSNBP-AWEZNQCLSA-N 435.575 1.754 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](c3nc(-c4ccsc4)cc(=O)[nH]3)C2)CC1 19572259 PHCCSMQZAMCSNW-AWEZNQCLSA-N 436.559 1.486 0 40 IDAB CCOc1c(Br)cc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 20851375 NQHFAXXTKCKKRE-JTQLQIEISA-N 438.278 1.728 0 40 IDAB COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)ccc1OCC(N)=O 21409345 MWISDIJBXNMHDV-UHFFFAOYSA-N 425.485 1.452 0 40 IDAB COc1cc(C)c(CN2CCN(C(=O)CSc3nnnn3C3CC3)CC2)cc1OC 22286999 MSEHFBPJEDSXGR-UHFFFAOYSA-N 432.550 1.770 0 40 IDAB CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)s1 23141787 ZBMQKCUNHBHIBX-UHFFFAOYSA-N 449.558 1.846 0 40 IDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CS2 25274483 PUTQAIGTRMGAER-CRAIPNDOSA-N 443.978 1.627 0 40 IDAB CC(=O)Nc1ccc(OC[C@@H](O)CNC[C@H](O)COc2ccc(NC(C)=O)cc2)cc1 28295670 NFRHINBTPYCJGQ-PMACEKPBSA-N 431.489 1.373 0 40 IDAB CCCn1c(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc2c(C)nn(C)c2c1=O 28557152 PLFKGLGXUCKNKW-UHFFFAOYSA-N 430.534 1.359 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 32910280 NSSIBTGEAWJYKJ-CQSZACIVSA-N 440.518 1.284 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccc(C(C)C)cc2)c(=O)n1CC(=O)N1CCOCC1 33402177 OWTDXKFEIGMELA-PVAQLMIFSA-N 444.553 1.064 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2cccs2)CC1 35301244 VAJZXJZTYCUXHN-SFHVURJKSA-N 425.601 1.861 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCC[C@@H](c2nnc3ccccn23)C1 40050310 PVXWSHZOLDJZKN-MZNJEOGPSA-N 444.495 1.829 0 40 IDAB O=C1CCc2cc(S(=O)(=O)NC[C@@H](c3ccsc3)N3CCOCC3)cc3c2N1CC3 77200736 XNVDRPMUXDGSED-IBGZPJMESA-N 447.582 1.935 0 40 IDAB COC(=O)[C@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccccn1)N(C)[C@@H]2c1ccccn1 100011235 NXOACBKUEYYEQP-GIHONLOASA-N 438.484 1.038 0 40 IDAB CCC[C@H](C(=O)NC1CCCC1)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)Nc2cc(C)on2)[C@@H]3C1=O 100436352 OTJCTTXTJXFQQX-BNKNFQTHSA-N 442.516 1.931 0 40 IDAB O=c1c(CN2CCOCC2)coc(O)c1CN1CCN(CCOc2ccc(F)cc2)CC1 101374410 MSQTVNGLORSYPN-UHFFFAOYSA-N 447.507 1.513 0 40 IDAB O=C1Nc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)[C@@]1(Nc1ncccn1)C(F)(F)F 101665896 VUPPVOCLWDLORV-SFHVURJKSA-N 432.362 1.391 0 40 IDAB Cc1cccc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1 224547581 XMZGHIFTXIPXMB-UHFFFAOYSA-N 431.558 1.910 0 40 IDAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCC(n2nnc(-c3ccccc3)n2)CC1 247755202 YUQSIJDQJQIMGV-XAMWDVODSA-N 434.500 1.535 0 40 IDAB Cc1ccc(OCC(=O)N[C@H](CC(N)=O)C(=O)O)c([C@H]2Cc3ccccc3C(=O)O2)c1 256028167 XJRXUHKHVNALRO-SJLPKXTDSA-N 426.425 1.273 0 40 IDAB CCN1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257263097 LOJFJSPSKSHKQQ-LJQANCHMSA-N 449.511 1.150 0 40 IDAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257276309 NTDRBEYNUCZWOS-QGPMSJSTSA-N 426.439 1.786 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OCC)c(C)c2)CC1 408619640 IAUGWFIUVUVKLP-OAHLLOKOSA-N 426.535 1.862 0 40 IDAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C)cc3)C2)c1 408659569 SUHBGDSSUJUCDR-SFHVURJKSA-N 437.452 1.873 0 40 IDAB Cc1c(C)[n+]([O-])c([C@@H](c2ccc(Cl)cc2Cl)C2C(=O)NC(=O)NC2=O)n1CCO 524733540 UYZDIQOOVKVBOW-ZDUSSCGKSA-N 441.271 1.152 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N(c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575420946 FSMWGHCZTGWWID-OALUTQOASA-N 425.528 1.869 0 40 IDAB Cc1ccc(Cl)cc1N1CCN(C(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)CC1 575609769 PSKNQUSFXNCHFC-UHFFFAOYSA-N 438.923 1.804 0 40 IDAB CC(C)Oc1cc(CCC(=O)N2C[C@H](CC(N)=O)[C@H](OC(=O)c3ccccc3)C2)on1 643587078 SLWPCBPPHGCLKX-FUHWJXTLSA-N 429.473 1.954 0 40 IDAB CCCC[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2140345 SQXKNHOEEMBZKG-SFHVURJKSA-N 444.484 1.926 0 40 IDAB biogenic CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O)C(=O)NCC(=O)O 8790236 FLABSHONISSMLL-ZMZPIMSZSA-N 448.472 1.393 0 40 IDAB biogenic CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c(=O)c2cc3c(cc21)OCO3 9135032 LITXIBSYFQZWKD-KRWDZBQOSA-N 444.532 1.572 0 40 IDAB O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccc2c(c1)OCO2 9254303 FNHVWILHYRZXSC-UHFFFAOYSA-N 449.504 1.567 0 40 IDAB CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(N)=O)CC1 9451595 HGTJIEWQKQIMTM-LPHOPBHVSA-N 446.523 1.433 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCCO4)c2)CCN1 9467691 WPODGEHWQTXZJG-UHFFFAOYSA-N 431.470 1.221 0 40 IDAB Cc1ccc(S(=O)(=O)n2ccn(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1 9660474 NESYJOYOVWANDC-UHFFFAOYSA-N 429.454 1.605 0 40 IDAB O=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)cc1F 9807006 ATQLZFJZFVZOKR-GFCCVEGCSA-N 429.470 1.934 0 40 IDAB COc1ccc(N(CC(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)c(OC)c1 10540553 FPKWOEUTPWKXEC-UHFFFAOYSA-N 427.567 1.708 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)Nc3nccs3)CC1)O2 12087089 GCURFXXLXAMEOJ-HXUWFJFHSA-N 430.486 1.664 0 40 IDAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@@H]4CC(=O)N(Cc5cccnc5)C4)C3)cc2n1 12088730 KBQIKJBZLNKRSP-QZTJIDSGSA-N 434.500 1.893 0 40 IDAB CC(C)(C)c1ccc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)OC[C@H]2CCCO2)cc1 12137044 WAODDSGIKJYOAQ-RTBURBONSA-N 432.517 1.802 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1 12858661 QEYYJOUNZVPACP-UHFFFAOYSA-N 441.435 1.770 0 40 IDAB CCn1c(N)c(C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c(=O)[nH]c1=O 13146071 YKHBTBNUSPVFFK-UHFFFAOYSA-N 434.518 1.323 0 40 IDAB CNC(=O)[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)[C@H]13 13561505 BHFZYJRIBUYLBS-RSVWRCHESA-N 429.542 1.594 0 40 IDAB COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C 14067096 ZPMNAXXVSPZAGJ-KBMXLJTQSA-N 444.937 1.245 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O 14412753 HXENYQRHDCUDLO-UHFFFAOYSA-N 435.502 1.476 0 40 IDAB Cc1sc2nc(CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)[nH]c(=O)c2c1C 14672391 ZKPGUPFAOGOQPA-NSHDSACASA-N 439.588 1.999 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NCc3cccs3)CC2)cc1 14934552 VPDOGFIEARRGJT-HNNXBMFYSA-N 435.571 1.962 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16022193 UMSWYBBSMHRQPH-XLPNERPQSA-N 436.306 1.472 0 40 IDAB CCn1nc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O 18835387 TWSVTLBDFWLHCV-UHFFFAOYSA-N 430.486 1.928 0 40 IDAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)CCN3CCOCC3)nc(N(C)C)c2C1 19710254 FFPKMLNWIXNASQ-FQEVSTJZSA-N 444.580 1.223 0 40 IDAB Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)C3)c(=O)n1 19744324 NQPHQIBYFSGVDI-SFHVURJKSA-N 438.532 1.867 0 40 IDAB CCN1CCN(C(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 26113302 ISFJJCXECQQGGP-NRFANRHFSA-N 429.542 1.948 0 40 IDAB COc1ccc2c(c1)CCN(S(=O)(=O)CCNC(=O)c1ccc3nsnc3c1)C2 38579819 OUIWOHHRIDNIJG-UHFFFAOYSA-N 432.527 1.818 0 40 IDAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(C(C)=O)cc4)cnc32)c1 40478156 OFMOXBLSYWQIFU-UHFFFAOYSA-N 432.440 1.886 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)C2CCN(C(=O)NCc3cccs3)CC2)cc1 44227615 FEMHHSNEICELOY-UHFFFAOYSA-N 436.559 1.634 0 40 IDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccc(OC)cc4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143720 MYCQSZRDWMXVCF-PGRDOPGGSA-N 449.573 1.335 0 40 IDAB COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)NCCn2cnc3ccccc32)C1=O 96223698 PFYMZAKZRUBJJH-SFHVURJKSA-N 435.484 1.714 0 40 IDAB O=C(NCCN1CCOCC1)c1nc2c(NCc3ccccn3)nc3ccccc3n2n1 96264235 DCAHDIDOPYSQPT-UHFFFAOYSA-N 432.488 1.347 0 40 IDAB NC(=O)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)Cc4nnn[nH]4)CC2)C(=O)N3)cc1 96268507 FEDJZMACCUFVOT-UHFFFAOYSA-N 431.456 1.021 0 40 IDAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 101023760 JYIPTUZFIYWGCV-IMAQQZIHSA-N 429.381 1.071 0 40 IDAB C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222894392 XZPDUXMTOCSYME-QGZVFWFLSA-N 449.548 1.793 0 40 IDAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 224461817 RPZKDBFNBYNCKY-SFHVURJKSA-N 448.541 1.978 0 40 IDAB COc1ccc(NC(=O)[C@@](C)(NS(C)(=O)=O)c2ccc(F)cc2)cc1C(=O)N(C)C 225958778 GJISWQKSEUPUTD-FQEVSTJZSA-N 437.493 1.939 0 40 IDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCCN)cc3)C2)c2cnccc2n1 257291255 QGGNKNNZEFVCAZ-XMMPIXPASA-N 435.528 1.989 0 40 IDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 534756051 UJZNPHNCDGDGGA-QGZVFWFLSA-N 426.473 1.623 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2nc3ccc(Cl)cc3[nH]2)C1 585290823 FZPIHERZHCOGIS-MJGOQNOKSA-N 436.921 1.102 0 40 IDAB CCn1nc(C)c(S(=O)(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)c1C 2087043992 JBCBRWZYFDHHEI-IRXDYDNUSA-N 430.578 1.864 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)CC1 2087151708 MPDAYXNOLOKHQH-HOCLYGCPSA-N 446.495 1.809 0 40 IDAB Cc1nnc(SCCn2c(N3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1 1899370 QHVSFWPACQAEFF-GHMZBOCLSA-N 435.579 1.858 0 40 IDAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 3259740 JTYHSNUXHGFMNE-UHFFFAOYSA-N 432.545 1.020 0 40 IDAB CC(C)n1nnnc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 8707220 RKIGTYMSISHHJK-CYBMUJFWSA-N 440.551 1.394 0 40 IDAB CS(=O)(=O)CC[C@@H](C(=O)Oc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 8754741 USWMWBNCYFJQRC-HNNXBMFYSA-N 431.422 1.420 0 40 IDAB Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2 11913919 GNUNUOGSAMEZCR-SECBINFHSA-N 426.545 1.566 0 40 IDAB CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)c1 12030684 TYADTIDXRDSWDA-GOSISDBHSA-N 436.511 1.858 0 40 IDAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031083 RVZSCXOSGFYSSQ-HNNXBMFYSA-N 441.502 1.725 0 40 IDAB C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 14246369 XNUFIFBXXOCJEN-SECBINFHSA-N 426.834 1.900 0 40 IDAB CSCC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 15973371 RHYOENXZKCWYKI-RMNDMBTGSA-N 449.960 1.993 0 40 IDAB CCN(C(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 19797478 JYXHPBMFOQRPSO-HNNXBMFYSA-N 428.532 1.038 0 40 IDAB Cn1c(=O)c2c(SCCN3CCOCC3)nc(Cc3ccccc3)nc2n(C)c1=O 20677598 URASSTWLBZAMHT-UHFFFAOYSA-N 427.530 1.042 0 40 IDAB COc1cccc(N(CC(=O)NCc2ccc(OC)c(OC)c2OC)S(C)(=O)=O)c1 22332140 HKUKEQPPFZEKDN-UHFFFAOYSA-N 438.502 1.803 0 40 IDAB C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)ccc2N1S(C)(=O)=O 23316127 IUFPWMTVGCNBDB-DOTOQJQBSA-N 435.546 1.108 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2cccc3c(=O)n(Cc4ccncc4)c(=O)nc2-3)c1 32641622 NPJGYLJBDVJPQF-UHFFFAOYSA-N 447.451 1.609 0 40 IDAB CS(=O)(=O)Nc1cccc(NC(=O)Cc2csc(NC(=O)c3cnccn3)n2)c1 36657950 SNWQQMXSEQFGPH-UHFFFAOYSA-N 432.487 1.738 0 40 IDAB CN(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 57773626 ACRIGBFMNDEZDD-FGZHOGPDSA-N 438.572 1.627 0 40 IDAB NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 58141755 DSYHPESRKJPKLQ-IBGZPJMESA-N 449.554 1.467 0 40 IDAB CS(=O)(=O)c1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1 67336872 HAFRUCFDTWGXNH-UHFFFAOYSA-N 446.460 1.785 0 40 IDAB CCS(=O)(=O)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1csc(C)n1 96143221 XIIMFGWCIGPXJK-QGZVFWFLSA-N 427.573 1.907 0 40 IDAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223482775 VTTQUBCTDYIJHR-SFHVURJKSA-N 443.525 1.427 0 40 IDAB COCCOc1cc(CN2CC[C@](O)(CN3CCC(NC(C)=O)CC3)C2)ccc1OC 257223250 DWNXGPGAXHYTPE-QHCPKHFHSA-N 435.565 1.258 0 40 IDAB Cn1ccc(C(=O)N2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)n1 306140658 UZUYMXJZFHBMCF-XMSQKQJNSA-N 437.525 1.914 0 40 IDAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 409412754 OCQYMRDGXYHQQN-NZSAHSFTSA-N 438.528 1.860 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccc(OC)cc5)C[C@H]4C3)ncnc21 1888935232 CFVQDHKWVLCTGI-GASCZTMLSA-N 428.518 1.612 0 40 IDAB COCCNC(=O)[C@H]1C[C@@H](NC(=O)Nc2ccccc2)[C@H](c2cnc(C(C)C)[nH]2)[C@@H]1O 2332241848 SHYGVYSCETZZSD-QFHJOOASSA-N 429.521 1.950 0 40 IDAB CC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)cc1 932535 SWDZQDXHFWRHPX-UHFFFAOYSA-N 444.517 1.704 0 40 IDAB CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cccs2)c2ccc(CC(=O)OC)cc2O1 1399731 ZFUWSGKPYSXDHY-HNNXBMFYSA-N 425.484 1.983 0 40 IDAB Cc1ccc(S(=O)(=O)[C@H](C[C@H](NC=O)S(=O)(=O)c2ccc(C)cc2)NC=O)cc1 1618088 DDTMEZWPGDNZMA-RTBURBONSA-N 438.527 1.085 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 2803107 HSNRRQPCWZSKOD-MRXNPFEDSA-N 449.504 1.804 0 40 IDAB CC(C)Cn1c(SCC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3318683 ZBIWTIHQADGJAP-UHFFFAOYSA-N 439.563 1.199 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1ccccc1 3641292 UFCNPCMLOACNPX-IBGZPJMESA-N 448.332 1.805 0 40 IDAB CC(C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)O 4073723 DDBGUDLYNNOSQR-HOTGVXAUSA-N 427.542 2.000 0 40 IDAB biogenic CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2S[C@H](C)C(=O)OC)cc1 6578198 ZKANHMPJCSXUGP-LLVKDONJSA-N 431.474 1.287 0 40 IDAB Cc1nc2cc(C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)ccc2n1-c1ccccc1 8670760 HEHSWCMOAIJTPR-INIZCTEOSA-N 427.482 1.794 0 40 IDAB CCN1C[C@@H](CN(C)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)Oc2ccccc21 8711012 WJECXRQWPZDFJL-WCCYLALTSA-N 443.548 1.738 0 40 IDAB Cn1c(=O)c2sc3c(c2n(CC(=O)NCCc2ccccc2)c1=O)COC(C)(C)C3 9435943 XYCGFNCCDYGZOT-UHFFFAOYSA-N 427.526 1.972 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 9497481 NRCQNWBCTZFTQL-FQEVSTJZSA-N 430.486 1.439 0 40 IDAB O=C1NCCN(C(=O)NC2CCCCC2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 10153139 IMEOWLWUNIKHSW-FQEVSTJZSA-N 427.549 1.568 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 10231876 NABZJUWOQWFZKQ-KRWDZBQOSA-N 436.384 1.915 0 40 IDAB CC(C)[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)NC(N)=O 10923426 VGKYCCVTZKTIEB-CQSZACIVSA-N 425.488 1.925 0 40 IDAB CCn1cc([C@H]2C[C@H](C(=O)NCc3ccc(Cl)cc3)N(C)S(=O)(=O)N2)c(C)n1 12130647 MDFQXZLODDQNBA-IAGOWNOFSA-N 425.942 1.761 0 40 IDAB Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 12715172 YEXLQYGFVHSWQS-JSGCOSHPSA-N 431.518 1.463 0 40 IDAB C[C@H](O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(=O)O 12759053 LCVOEJJLTFTRGA-HZMBPMFUSA-N 438.424 1.056 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCO[C@@H](c3ccccc3)C2)c1 12762260 FAJOGCSAFSWXDU-LJQANCHMSA-N 433.530 1.479 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1=O 13114783 DIZAXOSJRISAMW-JOCHJYFZSA-N 438.440 1.120 0 40 IDAB O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)NC[C@H]1CCCO1 13115667 OICNNECYDNFYIU-CYBMUJFWSA-N 441.531 1.236 0 40 IDAB CCNC(=O)[C@@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 13149760 UXQSRDAHDKBODS-CJNGLKHVSA-N 435.525 1.996 0 40 IDAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 13358943 FXJISLIVJHWINX-UHFFFAOYSA-N 428.488 1.753 0 40 IDAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Oc2ccccc2)cc1 13566842 CTEJTUMRORORRU-UHFFFAOYSA-N 433.530 1.693 0 40 IDAB CCC1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3cccs3)CC1)C2=O 14167436 DZSBDEPWEORETG-UHFFFAOYSA-N 440.591 1.903 0 40 IDAB COc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 17117050 AGXUTWZPRZCBHS-UHFFFAOYSA-N 433.530 1.962 0 40 IDAB Cc1ccc2c(c1)CN(S(C)(=O)=O)C[C@]1(CCCN(C(=O)c3cnn(C)c3C)C1)O2 19219454 GMXPTTBKOUQPGW-OAQYLSRUSA-N 432.546 1.866 0 40 IDAB CN(C)c1cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc(-c2cccnc2)n1 19290793 XCRHGOQVLFJMRY-INIZCTEOSA-N 427.534 1.906 0 40 IDAB CC(=O)N1C[C@H](c2ccc(CN(C)C(=O)c3ccc(-n4cccn4)nc3)cc2)[C@@H](C(N)=O)C1 19699216 IWGQCZCRBVHZFD-RTWAWAEBSA-N 446.511 1.587 0 40 IDAB CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 20029386 DOSVTZUPCMZENQ-UHFFFAOYSA-N 430.940 1.273 0 40 IDAB COC(=O)C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(OC)c(OC)c1 31494504 LULKZMNVJYXXRK-MRXNPFEDSA-N 425.441 1.985 0 40 IDAB Cc1ccc(S(=O)(=O)NCCCCC(=O)N2CCOCCOCCOCC2)cc1 39988490 CLLLTASUBGEBBQ-UHFFFAOYSA-N 428.551 1.336 0 40 IDAB CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)N(C)C)cc1 40058502 BOFUJVRDPAKNFH-LJQANCHMSA-N 425.576 1.738 0 40 IDAB COc1ccc([C@H](CNC(=O)Cn2cc(C(N)=O)c3ccccc32)N2CCOCC2)cc1 48290329 ZTMKFITUTAKGFQ-QFIPXVFZSA-N 436.512 1.939 0 40 IDAB CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 72260163 FSZDWIBJIBSFMH-UHFFFAOYSA-N 430.896 1.184 0 40 IDAB O=C(CN1CCc2ccc(O)cc2C1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 72291833 CYJDBZZMJIDIPJ-UHFFFAOYSA-N 431.514 1.410 0 40 IDAB C[C@@H](O)[C@H](O)/C=C/C=C/C(=O)O[C@@H]1C=C(C(=O)O)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 96111368 CDLCYGMBGYOXDH-AZOBNUSKSA-N 438.517 1.333 0 40 IDAB biogenic,in-vitro COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 101509445 PQCUXNWVBIGKHI-WOVMCDHWSA-N 437.562 1.504 0 40 IDAB COc1ccc(NC(=O)CNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 101543863 YZQQLTKAYSDCTD-DOEOUOAPSA-N 436.461 1.146 0 40 IDAB COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 106187101 BZFLVNVYPHVOLG-CKEIUWERSA-N 425.507 1.654 0 40 IDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 107636474 HSNDSQNXIFQQSA-UHFFFAOYSA-N 441.531 1.430 0 40 IDAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)CC(C)(C)O2 219267254 JUIYQQPGHAFWPY-PBHICJAKSA-N 425.551 1.932 0 40 IDAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223038268 UQJRXWVAECYUJM-SFHVURJKSA-N 443.525 1.693 0 40 IDAB O=C(NCCCO)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408585551 ZMVAAQTYESFZFQ-KRWDZBQOSA-N 441.347 1.837 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 409294216 AJQNARSDGDCJKO-CUYVQJCZSA-N 439.342 1.971 0 40 IDAB COc1cc([C@H](CC(=O)NCC(=O)N2CCCC2)c2oc(C)cc(=O)c2O)ccc1O 524730816 YKCVLZVXRNJEFI-HNNXBMFYSA-N 430.457 1.629 0 40 IDAB biogenic Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 540620650 JQGQDHAHVXVYOW-LBPRGKRZSA-N 445.419 1.785 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@@H]3C2)cc1 1549160517 FWQCYOPLHJSZFK-SFHVURJKSA-N 449.529 1.292 0 40 IDAB O=C(Nc1ccc(C(=O)N2CCNCC2)cc1)Nc1ccc(C(=O)N2CCNCC2)cc1 1565524342 JJQKFOSNEXQBRC-UHFFFAOYSA-N 436.516 1.421 0 40 IDAB C[C@@]1(c2cccc(CNC(=O)NC[C@H](O)c3cc(F)c(F)c(F)c3)c2)NC(=O)NC1=O 1678011287 CKWFNSGHDFRJBD-YWZLYKJASA-N 436.390 1.691 0 40 IDAB COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363899 FRAFEANRRLCVDB-OAHLLOKOSA-N 442.501 1.710 0 40 IDAB COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1 1450171 RQOYJZBOODBTCS-UNOMPAQXSA-N 437.477 1.676 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 3355383 BYPKJSIKIQKUCI-HNNXBMFYSA-N 435.483 1.319 0 40 IDAB Nc1nc(=O)c2cc(NCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)ccc2[nH]1 5385736 MXBUWHDMZGKTHK-MRXNPFEDSA-N 439.428 1.165 0 40 IDAB COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)c(OC)c1 8761988 IRBNXFLCFIHNST-QKPAOTATSA-N 434.489 1.624 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)NCc1ccc2c(c1)OCO2 9001641 ODWDSUPGUODUNL-UHFFFAOYSA-N 445.435 1.047 0 40 IDAB CCOc1ccc(C(=O)NCC(=O)N2CCC3(CC2)NCCc2[nH]cnc23)cc1OCC 9130682 MZOJSLGJIDFTNB-UHFFFAOYSA-N 441.532 1.601 0 40 IDAB CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nnnn3C[C@H]3CCCO3)ccc21 9416530 GPRMPSADIQPKDN-OAHLLOKOSA-N 437.547 1.539 0 40 IDAB NC(=O)c1c(NC(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)sc2c1CCC2 9491783 BYMAJJZZWYYIFP-UHFFFAOYSA-N 429.527 2.000 0 40 IDAB C[C@H](NC(=O)[C@@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 9551293 CUKYMPZPOHFUPF-LSDHHAIUSA-N 429.498 1.924 0 40 IDAB CC[C@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)O 9723105 QCAGHEZWUZTRPN-UGSOOPFHSA-N 442.534 1.720 0 40 IDAB CNC(=O)NC(=O)[C@@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 10759288 FGSJQBIFYRMZQY-UYTHQXMGSA-N 430.461 1.227 0 40 IDAB COC(=O)N1CCc2c(sc(NC(=O)c3cccc(S(C)(=O)=O)c3)c2C(N)=O)C1 12361165 KHEDWRWPKSZSFH-UHFFFAOYSA-N 437.499 1.627 0 40 IDAB Cc1occc1-c1nc(N2CCN(S(=O)(=O)N(C)C)CC2)ncc1-c1cnccn1 12739126 KDGFANWPLQUXHB-UHFFFAOYSA-N 429.506 1.430 0 40 IDAB CCCn1c(N)c(N(CCOC)C(=O)COc2cccc(C(C)(C)C)c2)c(=O)[nH]c1=O 12852909 NUSZJWPWGPZJQW-UHFFFAOYSA-N 432.521 1.885 0 40 IDAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 15721306 GKCBQPXKGNTQKX-VDGAXYAQSA-N 437.496 1.608 0 40 IDAB Cc1ccc2c(c1)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15959799 ZELGVVJNMXXSOY-HOSCZWGSSA-N 446.507 1.224 0 40 IDAB biogenic O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C[C@@H]2CCCO2)CC1 19292033 BAFYVYMMJBKAMP-UXHICEINSA-N 443.592 1.082 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)CCc4ccccc4)C3)[nH]c2=O)C1 19573041 VOZGFENBEQRYCE-MRXNPFEDSA-N 430.530 1.036 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccco1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 22607561 MHVHYRDHICVICQ-AYMMHLMVSA-N 441.415 1.013 0 40 IDAB NS(=O)(=O)c1cc(C(=O)OCC(=O)NCCc2nc3ccccc3s2)cs1 24536393 NDOORXQZGIOFLM-UHFFFAOYSA-N 425.513 1.521 0 40 IDAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 26844544 LYKGACGRAZBFIW-PKOBYXMFSA-N 430.549 1.980 0 40 IDAB COc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c1 27190334 VCCZILVDYJYFGD-QHCPKHFHSA-N 438.484 1.868 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CN1CCC(NS(=O)(=O)c3cccs3)CC1)C2=O 27534890 WMQDXNWYCNINRW-UHFFFAOYSA-N 440.591 1.949 0 40 IDAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCn2nnc3ccccc3c2=O)cc1 29422290 WYZMUWHPTZXLEW-UHFFFAOYSA-N 443.529 1.326 0 40 IDAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1C 32739506 XLEUHAKDPNEAQL-SFHVURJKSA-N 436.555 1.950 0 40 IDAB O=C(CN1CCN(S(=O)(=O)N2CCOCC2)CC1)Nc1cc(Cl)cc(Cl)c1 36351201 WIBUCHUQSYYBHO-UHFFFAOYSA-N 437.349 1.127 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(c2nc(-c3cnccn3)no2)C1 49485312 BCEBHIITJOELIQ-UHFFFAOYSA-N 440.485 1.551 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]([C@H]4Nc5ccccc5S(=O)(=O)N4)C3)cc2n1 72342528 PSVKMJASASWSEV-QRWLVFNGSA-N 440.529 1.928 0 40 IDAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc5c(cc4OC)OCO5)C[C@H]32)c(OC)n1 72392613 NFTKISUNLHFSIM-JWCWZOIMSA-N 429.473 1.961 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(-n5cncn5)nn4)CC3)CC2=O)cc1C 96124251 PPMCNTRAYGXDJI-GOSISDBHSA-N 446.515 1.376 0 40 IDAB CN(CC(=O)N1CC[C@@H](c2cc(O)n3nc(C(C)(C)C)cc3n2)C1)[C@@H]1CCS(=O)(=O)C1 100147152 HVMRCDUMECBZTM-HUUCEWRRSA-N 449.577 1.167 0 40 IDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCCNC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)OC2=O 100277714 XGRKUKXYQLTUHB-ODAXIHTASA-N 434.533 1.853 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2OC)sc2cc(S(N)(=O)=O)ccc21 100877642 GJZVVBMYUFVPOK-VZCXRCSSSA-N 449.510 1.663 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSCc2ccco2)cc1OC 222788939 RVWZCLRUWXSFJC-UHFFFAOYSA-N 428.532 1.967 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2CN2CCCC2=O)cc1 223275631 LXFJYGXBOCMSJH-UHFFFAOYSA-N 445.541 1.755 0 40 IDAB Cn1c2c(c(=O)n(C)c1=O)C[C@@]1(CCCN(C(=O)CCn3cnc4ccccc43)CC1)O2 257261601 LIAKNWCBVSDPML-QHCPKHFHSA-N 437.500 1.210 0 40 IDAB COc1ccc(NC(C)=O)c(NC(=O)CN2CC[C@](O)(CN3CCC(F)(F)CC3)C2)c1 257307631 SZORCKCEFVUXBL-FQEVSTJZSA-N 440.491 1.760 0 40 IDAB CC(=O)N1C[C@H](C(=O)Nc2cccc(F)c2)O[C@@]2(CCN(C(=O)c3cccnc3)C2)C1 306126008 DJGXRZGRXPXHCE-DENIHFKCSA-N 426.448 1.691 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 408611557 XMAYMRLBXOBHDR-KRWDZBQOSA-N 448.541 1.842 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C(=O)N1CCOCC1 408627423 ZNSGTNIJSJEZNH-UHFFFAOYSA-N 443.569 1.974 0 40 IDAB COC1(C)CCN(C(=O)[C@H]2C[C@]3(CO2)CN(Cc2ncc(C(F)(F)F)[nH]2)CCO3)CC1 585102205 PGWURQSYVBOBRT-AUUYWEPGSA-N 446.470 1.816 0 40 IDAB CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(F)(F)C2)cc1F 610795007 ZSQPOWQFCZOQOL-CMPLNLGQSA-N 429.395 1.750 0 40 IDAB COCC(=O)N1CCCN(C(C)C)CCN(C(=O)Cn2cncn2)Cc2ccccc21 643554526 KYFCKBDVGWZIFD-UHFFFAOYSA-N 428.537 1.400 0 40 IDAB CC(C)(C)c1cn2nc(OCC3CCN(S(=O)(=O)N4CCOCC4)CC3)ccc2n1 1888901121 VBBAJVIPFYLVNR-UHFFFAOYSA-N 437.566 1.695 0 40 IDAB NC(=O)C1(N2CCCCC2)CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 1432915 WTCFJGQLYNCYSE-UHFFFAOYSA-N 431.556 1.280 0 40 IDAB CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 2079679 VYMQKLALKYYFJG-QGZVFWFLSA-N 447.440 1.651 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC2CCCC2)c(C)c1 3017087 WBIRPRBXJLSLBW-SFHVURJKSA-N 437.562 1.524 0 40 IDAB Cc1c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(=O)n(-c2ccccc2)n1C 6552938 BQJJEDYSYXCXTR-JLCFBVMHSA-N 425.489 1.924 0 40 IDAB Cc1ccccc1S(=O)(=O)N(C[C@@H](O)CN1C(=O)NC(C)(C)C1=O)c1ccccc1 8732089 XSSHXNPMVXOPNE-KRWDZBQOSA-N 431.514 1.882 0 40 IDAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)N2CCNC2=O)cc1OC 8943700 RJKCNAWMIMLUCQ-UHFFFAOYSA-N 433.442 1.726 0 40 IDAB COc1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1S(=O)(=O)NC1CCCC1 8944696 NPVUNTHLXRBUPM-UHFFFAOYSA-N 435.546 1.611 0 40 IDAB O=C(CNC(=O)C(=O)NC1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9118446 ANAJKUNYXBNSDV-UHFFFAOYSA-N 442.438 1.656 0 40 IDAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CCCC1 9184333 LZIZKVJKVUVAPO-GJZGRUSLSA-N 425.526 1.790 0 40 IDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9497115 BRRIWURRTNGJGA-UHFFFAOYSA-N 434.518 1.664 0 40 IDAB C[C@@H](c1nnc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1)N(C)C 9662071 LZYIZAIBEFVWSH-HOCLYGCPSA-N 437.591 1.628 0 40 IDAB Cc1cc(C)n2nc(SCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)nc2n1 11020044 RKBZXYNBXWEBAH-CABCVRRESA-N 439.563 1.028 0 40 IDAB COc1ccc(CC(=O)N2CCC[C@@H](Cn3nnc4c(O)nc(C)nc43)C2)cc1OC 12085013 VQOUJBAXJBMIJV-OAHLLOKOSA-N 426.477 1.734 0 40 IDAB C[C@@H](Oc1ccccc1)C(=O)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1 12163900 BWYBHGFRYFBPCI-GOSISDBHSA-N 432.546 1.507 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCCCCC2)c2c(C(N)=O)nc(-c3ccsc3)nc21 12276839 HBJHDQGEJMEGOF-UHFFFAOYSA-N 428.518 1.843 0 40 IDAB NS(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)ccc1Cl 12790454 VFZORFMNWKWZAZ-QGZVFWFLSA-N 438.889 1.744 0 40 IDAB CCCOc1ccc([C@]2(C)C(=O)N(CN3CCOCC3)C(=O)N2CN2CCOCC2)cc1 13510074 VKGIJAMETWMEPS-HSZRJFAPSA-N 446.548 1.534 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 14183414 IOSFMEGLZCOJDL-OAQYLSRUSA-N 449.548 1.721 0 40 IDAB CCc1ccc2c(c1)[C@@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15968077 QYGAWXRFFNIKCQ-HOSCZWGSSA-N 446.507 1.088 0 40 IDAB biogenic CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)CC1 16682734 VIOZYZRZLWDZHQ-UHFFFAOYSA-N 428.507 1.126 0 40 IDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(CC(=O)Nc4ccc(C)cc4)CC3)ccc21 18132775 QBMTVKBFIZEUMN-UHFFFAOYSA-N 449.511 1.415 0 40 IDAB Cc1ccc(C2(CN3CCC(NC(=O)CN(C)[C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 19208362 OCMPCEKGROOHFY-OAQYLSRUSA-N 433.618 1.726 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccc3F)[nH]c2=O)C1 19572916 WNNSDJFUHFMSTH-QGZVFWFLSA-N 434.493 1.594 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3ccccc3)CC1)C2=O 19699433 RZUCADNKDYJYEP-UHFFFAOYSA-N 426.517 1.860 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN(C(=O)c4cnccn4)C3)nc2n(C)c1=O 19743498 AJUCIXWVLASRSI-NSHDSACASA-N 448.405 1.461 0 40 IDAB COc1c2c(cc3c1[C@@H](CC(=O)c1c(O)n(C)c(=S)n(C)c1=O)N(C)CC3)OCO2 20112956 CPHAHVLHJGLJBB-LLVKDONJSA-N 433.486 1.698 0 40 IDAB biogenic CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)c2ccc(F)cc2)CC1 22776845 VUZYPZIOSLLQNZ-OAQYLSRUSA-N 427.524 1.935 0 40 IDAB COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1OC 23805896 SRSKQGXPWLGTJO-QFIPXVFZSA-N 426.425 1.897 0 40 IDAB COc1ccc(CC(=O)N[C@@H](C)c2nnc(SCC(=O)N3CCOCC3)n2C)cc1 32579271 CAPVFZQQGKFNBY-AWEZNQCLSA-N 433.534 1.195 0 40 IDAB COc1nn(C)cc1C(=O)N1CCN(c2nc3ccc(S(C)(=O)=O)cc3s2)CC1 36679031 OTUGGHXSROFRJV-UHFFFAOYSA-N 435.531 1.404 0 40 IDAB CN(C)CCNC(=O)c1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 40146377 OPHRTYGNLNUTCK-UHFFFAOYSA-N 449.511 1.866 0 40 IDAB C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(S(C)(=O)=O)cc1 44857175 UFZJADVORDVSEZ-SCLBCKFNSA-N 438.527 1.495 0 40 IDAB O=C(NCc1cccc(OCc2ccccc2)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 48288258 GHFARSPWAHQPRP-PMACEKPBSA-N 442.537 1.917 0 40 IDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1 48374711 WUPAUWNNSCPSSI-HNNXBMFYSA-N 425.551 1.833 0 40 IDAB O=C(C[C@H](CN1CCN(Cc2ccccn2)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 71279138 YXMCCJQAAGIHKE-QGZVFWFLSA-N 440.500 1.700 0 40 IDAB Cc1cc([C@@H](O)CCNC(=O)C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c(C)o1 90613515 KMBGFJVNDPQRBW-IBGZPJMESA-N 449.529 1.787 0 40 IDAB COC(=O)CN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1cccs1 225143543 WATAZVHOVOOFCH-UHFFFAOYSA-N 429.472 1.920 0 40 IDAB CCN1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CC1 249694904 PUGIRCRHHJYSCK-KKIGLAAZSA-N 426.561 1.695 0 40 IDAB Cc1cc(N2CC[C@](O)(CNC(=O)C3(Cc4cccc(F)c4)CCN(C)CC3)C2)ncn1 257216489 CUSJOCHXODLSRT-DEOSSOPVSA-N 441.551 1.936 0 40 IDAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@]3(CC2)Cc2c(O)nc(O)nc2O3)c1 257292961 QNPGDIUQAZCYNQ-IBGZPJMESA-N 434.474 1.259 0 40 IDAB CC(=O)N1CCC(N2CCN3[C@H](CN(C(=O)c4ccc(Cl)cc4)C[C@@]3(C)CO)C2)CC1 514289525 NFVJDVQKKSFOBM-GMAHTHKFSA-N 448.995 1.544 0 40 IDAB biogenic,in-vitro O=C(NC[C@H](O)CO)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1ccncc1 643583935 GBUAESKMFLBTJF-NRFANRHFSA-N 440.544 1.865 0 40 IDAB COc1cc(C(=O)N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)cc(OC)c1OC 1888913811 HQIYCVWAIZPXFM-HZPDHXFCSA-N 438.488 1.667 0 40 IDAB O=C(Nc1ccccc1)N[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@H](O)[C@H]1c1cnc(C2CC2)[nH]1 2332241782 HANARVIFKBGQAW-ONCXSQPRSA-N 439.516 1.801 0 40 IDAB COc1ccc(CCNC(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1OC 1223061 VRMHUOCIUXMRIT-UHFFFAOYSA-N 427.461 1.733 0 40 IDAB Cc1nn(C(=O)c2ccc(Br)cc2)c(C)c1S(=O)(=O)N1CCOCC1 8611191 ILWMUKRTUFRGMD-UHFFFAOYSA-N 428.308 1.972 0 40 IDAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3nc4nc(C)cc(C)n4n3)ccc21 8884634 VGDRFCLLVGQQRN-UHFFFAOYSA-N 443.485 1.493 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccnc1 9216075 BTOHYXINWIXQDJ-IBGZPJMESA-N 445.357 1.120 0 40 IDAB O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1c[nH]c(C(=O)N2CCCC2)c1 9376732 XZOKHUWOWPQPTJ-GFCCVEGCSA-N 438.531 1.586 0 40 IDAB CC(C)CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl 9464137 MXRSGVASUKQVIL-UHFFFAOYSA-N 441.731 1.696 0 40 IDAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9619311 SAVAVYUUSCIMOP-HXUWFJFHSA-N 432.546 1.822 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 11865450 OXOCUKWQNNKTOD-JEOXALJRSA-N 432.473 1.780 0 40 IDAB biogenic COC(=O)/C=C(\C(=O)OC)N1CCN(C(=S)c2cccc(Br)c2)CC1 12420696 WSJVITALJQLPIR-SDNWHVSQSA-N 427.320 1.972 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)NC(=O)N[C@@H]1C 13008897 NEXDYJDPQMIRDL-CYBMUJFWSA-N 431.489 1.776 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(S(N)(=O)=O)c2)c1 13071308 SHHSHLFWNQWPNC-UHFFFAOYSA-N 441.531 1.625 0 40 IDAB CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C(=O)NCCC(=O)O)cc3)cc2C[C@H]1C 13460093 VPDQUPRHVSYVEK-CYBMUJFWSA-N 445.497 1.989 0 40 IDAB CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(OC)c(C)cnc3n(C)c2=O)cc1 15880291 CZXYAOJQMCRPCI-UHFFFAOYSA-N 426.429 1.228 0 40 IDAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N1CCN(C(=O)c2cccs2)CC1 16684889 KADKVKPAMJIJPJ-UHFFFAOYSA-N 443.554 1.758 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)CC1 18265032 LAFWUXLJFJNRDX-UHFFFAOYSA-N 430.482 1.571 0 40 IDAB COCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccncc1C)CC2 19239472 GFBMIKAXIVXRIG-SFHVURJKSA-N 425.489 1.372 0 40 IDAB Cc1ccc(CS(=O)(=O)N2CC[C@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)cc1 19757814 LYCREYWRUFENIR-IBGZPJMESA-N 444.557 1.885 0 40 IDAB COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 20016095 LQGOFXUNBNCUSP-CYBMUJFWSA-N 438.502 1.704 0 40 IDAB COc1cccc(CCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 22372490 YMAZQZTXMFUPEE-UHFFFAOYSA-N 434.514 1.981 0 40 IDAB CCN(CC)C(=O)CN1CCN(CC(=O)N(C)Cc2cc(OC)c(OC)cc2C)CC1 22930763 NDGIWDIZXCQDCL-UHFFFAOYSA-N 434.581 1.457 0 40 IDAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)c1 23148751 QYQICRSQIPJTGO-UHFFFAOYSA-N 440.934 1.862 0 40 IDAB CS(=O)(=O)N1CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 28794785 BSWCCBALOVVXHY-UHFFFAOYSA-N 428.514 1.017 0 40 IDAB COc1cc(OC)c(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)cc1Cl 36359697 LYOISTWEWRSKFX-UHFFFAOYSA-N 430.848 1.822 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(C[C@H](O)COc2ccccc2)CC1 40160700 FDZHVDDZXSXXFT-SFHVURJKSA-N 448.541 1.594 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1 42379841 APVHNSHSCKHLPO-UHFFFAOYSA-N 438.937 1.352 0 40 IDAB COc1ccc(CCNC(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)cc1OC 62001620 XSYREURPVDEGTC-UHFFFAOYSA-N 427.457 1.790 0 40 IDAB biogenic O=S(=O)(CCNS(=O)(=O)c1cc(Br)ccc1F)Nc1ccccn1 72314011 KSJDWIVORVTCAI-UHFFFAOYSA-N 438.300 1.703 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)CC1 90504311 JLTSEZSYEQKAJI-UHFFFAOYSA-N 432.546 1.799 0 40 IDAB CCOC(=O)N1CCC(NC(=O)Cn2ccn(-c3cccc(Cl)c3)c(=O)c2=O)CC1 90610189 CMJOHEZYASBLPI-UHFFFAOYSA-N 434.880 1.390 0 40 IDAB CC1CCN(c2nnc(SCCN3CCCS3(=O)=O)n2C[C@H]2CCCO2)CC1 95430754 XZHHQGKMOTXNSJ-MRXNPFEDSA-N 429.612 1.821 0 40 IDAB COc1cc2nc(C)n(CCNC(=O)[C@H]3COc4ccccc4O3)c(=O)c2cc1OC 95476305 HNLYWAWMTUYMKJ-HXUWFJFHSA-N 425.441 1.678 0 40 IDAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NN1C(=O)NC2(CCCCC2)C1=O 96503678 DZFNEMZTLCGBJH-UHFFFAOYSA-N 439.969 1.805 0 40 IDAB CCOC(=O)C1=NO[C@H]2[C@H]1[C@@H]1C[C@@H]2[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]12 100326875 DWNHDAZTKYKHER-CEPBXKMBSA-N 442.468 1.431 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 247902707 WDTCIIAPTUSGIT-SMTRIPRVSA-N 444.491 1.777 0 40 IDAB O=C(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCOCCOCCOCC1 584906230 OYXAEINSAJHJTR-UHFFFAOYSA-N 438.480 1.988 0 40 IDAB Cc1nnc(NC(=O)CCC(=O)N2C[C@H](CC(N)=O)[C@H](OC(=O)c3ccccc3)C2)s1 643586865 GNJGYWUTRIFKQD-LSDHHAIUSA-N 445.501 1.125 0 40 IDAB COc1cnc(OC2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)CC2)nc1 1260797303 YWZOJEIVRVDNFI-UHFFFAOYSA-N 432.502 1.626 0 40 IDAB Cc1cccc(OC[C@H](O)CN(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)C(C)C)c1 1681922864 OXJVFNXJZXUNAT-QWFCFKBJSA-N 441.594 1.873 0 40 IDAB O=P1(NC[C@@H]2CCCO2)OCC2(CO1)COP(=O)(NC[C@@H]1CCCO1)OC2 1569447 DYJYIWILVNSJEQ-YAMRAQSESA-N 426.343 1.820 0 40 IDAB Cc1ccnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1 2354405 GIZBPVWMJNMGLS-UHFFFAOYSA-N 429.550 1.561 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C(=O)c2cccc(N)c2C1=O 2655794 USVOWHZUYRCNTO-UHFFFAOYSA-N 429.454 1.035 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCCCC1)OCO3 6445247 ZRNVWJMCEYFMAK-FOIQADDNSA-N 438.488 1.998 0 40 IDAB COc1ccc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1OC 9185691 SZKBFYZBBXCONY-CQSZACIVSA-N 427.505 1.209 0 40 IDAB CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)CC1 9243382 FGQFNYALUTVJFN-UHFFFAOYSA-N 441.517 1.109 0 40 IDAB C[C@H]1Oc2ccc(NC(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2NC1=O 9447131 RWIZKTCELGVBAP-GFCCVEGCSA-N 447.469 1.484 0 40 IDAB O=C(OCc1nc2ccsc2c(=O)[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9742430 PWGRKAHKFWQADY-UHFFFAOYSA-N 435.483 1.363 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc([C@@H]4CCCO4)o3)CC2)cc1 10971668 XFXFNVOIJFXMJJ-INIZCTEOSA-N 436.490 1.969 0 40 IDAB Cn1c(=O)c2c(SCC(=O)N3CCCCCC3)nc(-c3ccco3)nc2n(C)c1=O 11758250 PNBXBFDSIHBWAS-UHFFFAOYSA-N 429.502 1.782 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3ncncc3S(C)(=O)=O)C2)cc1 12128343 VQPQSVUOVMOZEW-AWEZNQCLSA-N 438.531 1.407 0 40 IDAB CN(CC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1)[C@@H]1CCS(=O)(=O)C1 12254718 LBFRHNBNXKHBIZ-QGZVFWFLSA-N 444.557 1.159 0 40 IDAB O=C(Nc1ccc(F)cc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(c3ccccc3)CC2)[C@H]1O 12489791 OPJXZSIXQLIUFX-CSEOROSGSA-N 442.491 1.623 0 40 IDAB biogenic,in-vitro O=C1COc2cc(C(=O)N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)ccc2N1 12734638 FIJJLOGDOHQOTP-UHFFFAOYSA-N 437.424 1.442 0 40 IDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 13101330 ORSGVKADGXUYLU-LJQANCHMSA-N 447.513 1.214 0 40 IDAB CCN(C(=O)CN(C)Cc1cccc(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13134343 LQHIYRFPEYNNFN-UHFFFAOYSA-N 439.491 1.791 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)n(C)n1 13615075 MWTQWMQUCRPTTJ-AWEZNQCLSA-N 430.490 1.818 0 40 IDAB COc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1OCC(=O)N1CCOCC1 14228528 PTGRQBQPBVQXLK-UHFFFAOYSA-N 448.497 1.589 0 40 IDAB CCN1C(=O)C[C@@H](N2CCC(C3CCN(S(=O)(=O)N(CC)CC)CC3)CC2)C1=O 15084384 WDLBZIUCAYVMTP-GOSISDBHSA-N 428.599 1.144 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@@H]1c1ccccc1 15936997 OEXFLALDYXPMMB-HXUWFJFHSA-N 438.484 1.909 0 40 IDAB CC(C)N(C(=O)Cn1cnc2c(cnn2[C@H]2CCS(=O)(=O)C2)c1=O)c1ccccc1 16849863 UPQGHNGWXBGVTI-INIZCTEOSA-N 429.502 1.394 0 40 IDAB COc1ccccc1CNC(=O)c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)nc1C 19766560 KGZYAODVLQBRCD-UHFFFAOYSA-N 447.561 1.709 0 40 IDAB O[C@@H](COC[C@H]1COc2ccccc2O1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22030656 GUHDTWDLNKNVAW-UXHICEINSA-N 442.512 1.750 0 40 IDAB COC(=O)CNC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 22416565 UBTFKZXKWPQZPX-UHFFFAOYSA-N 431.832 1.607 0 40 IDAB C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O)c1ccc2c(c1)OCCO2 23349066 HSXLJIMPXIGHJI-LBPRGKRZSA-N 443.485 1.764 0 40 IDAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 23818240 QHQQNJPIANYDRI-ZHRRBRCNSA-N 426.425 1.825 0 40 IDAB Cc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 24770870 ANWRGPUBICZBPG-IRXDYDNUSA-N 438.546 1.962 0 40 IDAB O=C(NCCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccsc1 25905451 ANYCJTPHKBDMHF-UHFFFAOYSA-N 427.573 1.899 0 40 IDAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3cc(F)c(F)cc3Cl)[C@H]2SC1 33538255 NSSOSVYNXHCEDG-MLGOLLRUSA-N 446.815 1.534 0 40 IDAB CC(=O)N1c2ccc(S(=O)(=O)N3CCC(NC(=O)c4ccncc4)CC3)cc2C[C@H]1C 36395786 WVQFKNZFFFVRSY-OAHLLOKOSA-N 442.541 1.962 0 40 IDAB CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 40051430 VCMMRYCHLYOPCE-UHFFFAOYSA-N 437.440 1.238 0 40 IDAB NC1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23COc2ccccc2C(=O)N3)CC1 72334432 UQFKUNJRRWADDE-OFVILXPXSA-N 434.540 1.629 0 40 IDAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1nccs1 80357789 CTGMIVDFHSZKNX-CHWSQXEVSA-N 440.522 1.826 0 40 IDAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)cc1 96124013 UGFXTBHUUXULMN-AWEZNQCLSA-N 427.490 1.316 0 40 IDAB COc1ccc(CNC(=O)N2CCN(C(=O)NC(C)C)C[C@]3(CC(=O)N(C)C3)C2)cc1 96143459 YCJVXXRQNHRDMJ-QFIPXVFZSA-N 431.537 1.489 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 100186273 KXOOYMPHUPMNSA-DSEONOSFSA-N 449.799 1.304 0 40 IDAB COc1ccc(C(=O)NCCc2nnc3ccc(SC(C(C)=O)C(C)=O)nn23)cc1 100928486 DTXQFCROIDEYBL-UHFFFAOYSA-N 427.486 1.744 0 40 IDAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCCN3CCOCC3)s2)cc1 223448343 QABMCELYJJYCRE-UHFFFAOYSA-N 425.536 1.099 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(OC)c(OC)c2OC)cc1 225618271 VQTQNNIATWFUGG-UHFFFAOYSA-N 438.502 1.658 0 40 IDAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)c1 225966045 VZCMOAQZRTWAOT-UHFFFAOYSA-N 425.532 1.941 0 40 IDAB C[C@@H](N)COc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O 257342417 ZOMQVHDGJCXOTB-DYVFJYSZSA-N 433.892 1.608 0 40 IDAB O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccccc2F)CC1 1452037 ZARVYUQDEZVAFQ-UHFFFAOYSA-N 433.505 1.809 0 40 IDAB CS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 3445657 STSXGMZEOCPQKU-UHFFFAOYSA-N 426.491 1.376 0 40 IDAB CC(=O)N(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)c1ccc(Oc2ccc(Cl)cc2)cc1 5760855 AWECIOWHICWSBI-MFKWGIFDSA-N 439.848 1.217 0 40 IDAB O=C([C@H]1CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)c2ccccc2O1)N1CCOCC1 9495406 GPIZDHHHXCLNNA-HXUWFJFHSA-N 434.452 1.119 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1 9508339 GLSUPIKNLZSHQC-UHFFFAOYSA-N 444.473 1.519 0 40 IDAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 9661702 PQEAXSUFWPAEJA-NSHDSACASA-N 430.939 1.871 0 40 IDAB Cc1cccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 9666257 GBKUWNBRFZMRDE-UHFFFAOYSA-N 436.461 1.951 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@H](c2ccc(C(=O)OC)cc2)n2nnnc2N1 10232312 YOXYZZMNUIAEQX-SFHVURJKSA-N 449.423 1.793 0 40 IDAB O=C(NCCCN1CCCCCC1=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12849441 PTFSPFFNSHJTMX-QGZVFWFLSA-N 446.573 1.756 0 40 IDAB CCCn1c(N)c(C(=O)CN(C)Cc2ccc(OC(F)F)c(OC)c2)c(=O)[nH]c1=O 12886040 NKCCUGAQRNLHQQ-UHFFFAOYSA-N 426.420 1.454 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1=O 13069927 CMVDLZXZDWTOHZ-UWJYYQICSA-N 435.546 1.515 0 40 IDAB Cc1c(NC(=O)CSc2nnc(-c3ccco3)n2N)c(=O)n(-c2ccccc2)n1C 13134291 KZDMFMZTVFIURZ-UHFFFAOYSA-N 425.474 1.781 0 40 IDAB C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 15959887 ZDZLHYCCYICKBX-FSLQZCRMSA-N 439.899 1.684 0 40 IDAB Cc1nc([C@@H]2CCCCN2C(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)ncc1C(N)=O 19764511 FPRIGDGNHBYGOY-SFHVURJKSA-N 436.516 1.761 0 40 IDAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 22056581 JVYXKGAXQLHSJH-UHFFFAOYSA-N 429.550 1.698 0 40 IDAB O=C(NCCc1ccc(C(F)(F)F)cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 22374019 HJJCZERWTGDZNH-CQSZACIVSA-N 431.436 1.530 0 40 IDAB C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 32776182 UVGXSJMCULIMPF-XEKQOVJPSA-N 438.527 1.193 0 40 IDAB CCOC(=O)c1nc(CN2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cs1 32913429 OKYPJNAVEDAARU-UHFFFAOYSA-N 428.536 1.821 0 40 IDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)CN1C(=O)c2ccccc2C1=O 39585642 ZPOBRUATBNHCFD-HNNXBMFYSA-N 437.452 1.586 0 40 IDAB O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)OCC(=O)N1CCCC1=O 60385272 TZGBJYGGVKJUGQ-UHFFFAOYSA-N 442.799 1.329 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN(CCC1CCCCC1)CC(N)=O)n2CC 65566302 WIZBLYGBUPICNC-UHFFFAOYSA-N 432.569 1.964 0 40 IDAB CC(C)(C)S(=O)(=O)CC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 95453335 NSYVTBHRKVJHKA-UHFFFAOYSA-N 425.551 1.177 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)c2sc(N(C)S(C)(=O)=O)nc2C)c2ccccc2O1 225879644 SMJWGHNCZWHTSF-ZDUSSCGKSA-N 425.488 1.428 0 40 IDAB O=C(c1ccnc(N2CCOCC2)c1)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257256369 KLDIUTJDPLDEJF-SFTDATJTSA-N 436.512 1.213 0 40 IDAB COc1cc(C)ccc1S(=O)(=O)N1CCOC[C@@]2(CC[C@H](CN3CCOCC3)O2)C1 306138971 SLYKOOIBOZIQOT-WIYYLYMNSA-N 440.562 1.275 0 40 IDAB CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)CC1 408557298 GJWBVGOUPHUOFC-INIZCTEOSA-N 425.551 1.269 0 40 IDAB COc1cc([C@H](CC(=O)NCC(=O)NCC(C)C)c2oc(C)cc(=O)c2O)ccc1O 524729168 GWUHZAOLUQLLMO-HNNXBMFYSA-N 432.473 1.778 0 40 IDAB biogenic C=CC(=O)N1CCC(C(=O)N[C@H](CO)C(=O)OCc2ccccc2)(c2ccccc2)CC1 1624474069 NAKSPVQPEZQJRA-OAQYLSRUSA-N 436.508 1.953 0 40 IDAB COc1ccc(-c2ncnc(N3CC(N(C)S(=O)(=O)c4cnn(C)c4)C3)c2F)cc1 1775974400 QCDOHKOFOBPRDF-UHFFFAOYSA-N 432.481 1.534 0 40 IDAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)CCc1ccc2c(c1)n(C)c(=O)n2C 2037880126 DLDOQUGMYGBIKO-HSZRJFAPSA-N 438.532 1.090 0 40 IDAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C 880947 ISHBSXOQIFYKOC-UHFFFAOYSA-N 431.474 1.303 0 40 IDAB COc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(Cl)cc1)CN=3)C(=O)N2 2238923 XKPUPGPHKIJOOA-MSUUIHNZSA-N 426.885 1.778 0 40 IDAB CCN(C(=O)COC(=O)c1c(NC(C)=O)sc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 3326186 XEKWIZHHCNZGPY-CYBMUJFWSA-N 442.559 1.778 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)CN2CCCc3ccccc32)c(=O)[nH]c1=O 5638145 DOGGHSLPRUZNJT-UHFFFAOYSA-N 429.521 1.351 0 40 IDAB COc1ccccc1N1CCN(C(=O)[C@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 8990617 KAPDODRYSLCGEU-INIZCTEOSA-N 449.511 1.328 0 40 IDAB CN(C)S(=O)(=O)c1cccc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c1 9092768 OBBHENCHPIJDAW-FQEVSTJZSA-N 431.470 1.633 0 40 IDAB O=C(NCc1cccs1)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCOCC3)cc2)C1 9234013 QWRYPEKFVDGJSP-INIZCTEOSA-N 443.525 1.655 0 40 IDAB Cc1ccc(-n2nnnc2SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)c(C)c1 9384866 IKCRIJBCLPNXLN-UHFFFAOYSA-N 428.518 1.559 0 40 IDAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 9515053 LPNVOVUZKVEVPR-UHFFFAOYSA-N 444.513 1.550 0 40 IDAB O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)N1CCN(c2ccccc2)CC1 9517773 PCELZDWEOYQCMT-UHFFFAOYSA-N 433.447 1.465 0 40 IDAB CNC(=O)[C@H]1CN(CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2O1 9547284 ZWPMVOUAYOEALF-YLJYHZDGSA-N 443.525 1.220 0 40 IDAB CCn1c(CSc2nnnn2C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9712037 IKQYOMDJUJYGBN-UHFFFAOYSA-N 449.562 1.691 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2Cc2cccs2)C1=O 9730503 CUOGXWWPEFSEND-SFHVURJKSA-N 443.514 1.373 0 40 IDAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1=CN2CCS(=O)(=O)N=C2C=C1 9783037 JXNHIDRUMGYSHT-UHFFFAOYSA-N 445.526 1.569 0 40 IDAB COc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc(C)c2)cc(OC)c1OC 10384225 DOMKQOKOFLNVEQ-KRWDZBQOSA-N 441.484 1.990 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 12889997 XGECQBKWFSRIPZ-UHFFFAOYSA-N 430.486 1.502 0 40 IDAB CN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 13015508 WSGGYWBLMCJRIY-KRWDZBQOSA-N 434.539 1.697 0 40 IDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 13029034 PSUUWIYTOIGZOK-OAHLLOKOSA-N 447.488 1.838 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(OC)c4)C[C@]34C=C[C@H]2O4)CC1 13607711 CYBWPEYKLISFFX-FZONSQQESA-N 441.484 1.282 0 40 IDAB Cc1ccc(N2C(=O)C(=O)N(CC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 14200700 FPBLKAHCDPUISE-KRWDZBQOSA-N 447.513 1.249 0 40 IDAB COC(=O)c1c(S(=O)(=O)NCc2ccccc2)sc(C(=O)N2CCOCC2)c1C 16642687 RGFGKFCCIRPIJS-UHFFFAOYSA-N 438.527 1.794 0 40 IDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CN(CC(=O)N3CCCC3)CCO2)n1 19694983 SSHLRMXGBYQPIJ-LJQANCHMSA-N 438.532 1.304 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1 19703178 LRDVJCNEOSASDN-HNNXBMFYSA-N 429.502 1.620 0 40 IDAB O=C(NCc1ccccc1F)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 20614232 XVKRTIDCXWNHFC-SFHVURJKSA-N 429.448 1.360 0 40 IDAB C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O)c1ccc2c(c1)OCO2 23348933 VVWOYFPHYMTSGO-NSHDSACASA-N 429.458 1.722 0 40 IDAB COc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)ccc1OC(F)F 24077309 ZETSCVJSFIEFHR-JTQLQIEISA-N 433.433 1.885 0 40 IDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc3c(c1)OCCO3)n2CCN1CCOCC1 25479907 BGOUTWGGXUVGMQ-UHFFFAOYSA-N 441.488 1.067 0 40 IDAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 25664871 QTKLLDKZZDTARF-VQTJNVASSA-N 438.484 1.168 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F)C(=O)OC 36569633 DZFMOJLTSIXPFE-RDTXWAMCSA-N 436.415 1.840 0 40 IDAB COc1cccc(C[C@@H](C(=O)N2CCC(C(=O)N(C)C(C)C)CC2)n2nnnc2C)c1 48326384 QWMVEYJVTPSHDD-FQEVSTJZSA-N 428.537 1.879 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC)c(N2CCNC2=O)c1 83852210 KLHAIHNMCQDAHM-UHFFFAOYSA-N 448.501 1.736 0 40 IDAB CC(C)[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 95471250 RVBXWYYNNZLCTM-LPHOPBHVSA-N 437.562 1.347 0 40 IDAB COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)c1 223658213 YEMTTXUXQOAJBN-UHFFFAOYSA-N 426.466 1.804 0 40 IDAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1F 224241670 LCHQSILVZVTCKW-UHFFFAOYSA-N 432.495 1.442 0 40 IDAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)c1ccc3c(c1)OCCO3)CC2 257250731 JNUVFCFJFQQTQZ-MRXNPFEDSA-N 437.500 1.824 0 40 IDAB Cc1nnc2c(N3CC[C@H](NS(=O)(=O)c4ccc(Br)s4)C3)nccn12 575414514 JACGIYBQTGSNIV-JTQLQIEISA-N 443.352 1.814 0 40 IDAB O=S1(=O)CC[C@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(Br)cc2)C1 575424182 TUGUXSMDACLNKA-KBPBESRZSA-N 438.365 1.806 0 40 IDAB Cc1cccnc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O 604381498 GXWABIUJMGQYQO-JOCFFJSCSA-N 429.492 1.611 0 40 IDAB biogenic,in-vitro CN1CCN(C(=O)c2ccc(-c3noc(-c4cncc(-c5cnn(C)c5)c4)n3)cn2)CC1 680767188 NHCKHPGPCXHYAA-UHFFFAOYSA-N 430.472 1.982 0 40 IDAB COCCOCC(=O)N1CCC2(CC1)Cc1ccccc1CN(CC(=O)NC(C)C)C2=O 2056226412 QRBVIXWSPSNKQN-UHFFFAOYSA-N 445.560 1.368 0 40 IDAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1ccccc1F 3317474 CJCWRQNMPPTBCX-UHFFFAOYSA-N 440.424 1.781 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 8791729 WDTCIIAPTUSGIT-NAZDKBRTSA-N 444.491 1.777 0 40 IDAB biogenic O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9385524 OOXKNPKHGCLIAF-UHFFFAOYSA-N 425.489 1.748 0 40 IDAB C[C@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccccc1 9551296 CUKYMPZPOHFUPF-CABCVRRESA-N 429.498 1.924 0 40 IDAB COc1cc(OC)c2c(C)c(CC(=O)N3CCC[C@@H](C(=O)NCC(=O)O)C3)c(=O)oc2c1 9575234 NTNWKYMHULZCRK-CYBMUJFWSA-N 446.456 1.101 0 40 IDAB Cn1cccc1[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 9620185 ZGDKKGHVOGFZRQ-HXUWFJFHSA-N 434.537 1.834 0 40 IDAB CCOC(=O)N1CCN(C(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)CC1 9659249 OPOKFAKILKGJBQ-UHFFFAOYSA-N 446.485 1.967 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 10250945 RRAOGGNWZDHSBE-UHFFFAOYSA-N 446.533 1.762 0 40 IDAB CCN(C(=O)COC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 11807048 ZLMHNLQEMPHLSM-DYLGSBMWSA-N 447.456 1.889 0 40 IDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@H](C)N3C(=O)NC(C)(C)C3=O)C2)C1 12087180 UABSSMCARBRBAX-NPMXOYFQSA-N 442.516 1.508 0 40 IDAB Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc1 12376395 GZBWIJWWJQMZDW-MRXNPFEDSA-N 428.392 1.558 0 40 IDAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C2CC2)CC1 12766738 VEDNIMKUXHFPET-QGZVFWFLSA-N 432.546 1.365 0 40 IDAB Cc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12784106 IGXXVUOUYOJWCQ-OAHLLOKOSA-N 432.546 1.711 0 40 IDAB O=C(Cc1cccc(F)c1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 14249055 UAZLQLNOUCUUCK-UHFFFAOYSA-N 448.520 1.133 0 40 IDAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1S(=O)(=O)N1CCOCC1 14291897 DCZOLJJHUCVASK-UHFFFAOYSA-N 433.486 1.927 0 40 IDAB CCOC(=O)C1=C(CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)NC(=O)NC1 15546152 JCONBAKTKNGJOA-LJQANCHMSA-N 428.489 1.397 0 40 IDAB COc1ccc(-c2ccc(C[C@H]3CN(C(=O)c4ccc(=O)[nH]n4)CCNC3=O)cc2)cc1 19558324 GCEQOYBPLYABSX-IBGZPJMESA-N 432.480 1.876 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3snnc3C)CC1)C2=O 19700697 LGUGONITMNRMLG-UHFFFAOYSA-N 434.566 1.495 0 40 IDAB Cc1nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2CCc1ccccc1 19739016 TYZNDDCMQVTJAF-GOSISDBHSA-N 443.573 1.903 0 40 IDAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCN(Cc3ccccc3)CC2)cc1 19797010 HJXWRXLSJJIHFL-VXKWHMMOSA-N 448.610 1.752 0 40 IDAB Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)NCCN1CCOCC1 19999877 WBPNGNANACMFPE-UHFFFAOYSA-N 428.514 1.509 0 40 IDAB CCN(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 23865560 XCYPTSZAFDIDIV-LJQANCHMSA-N 427.526 1.949 0 40 IDAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1[nH]c(=O)c2ccccc2c1=O)CC3 25451310 LBKLOJSZMHQJDX-UHFFFAOYSA-N 432.436 1.543 0 40 IDAB O=C(CSCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1)N1CCCCC1 26097676 KBYUSPMJXBSATG-UHFFFAOYSA-N 439.603 1.702 0 40 IDAB CCOC(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 28829122 WNSDGYKXGLZKBR-UHFFFAOYSA-N 448.497 1.902 0 40 IDAB O=C([C@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)c2ccccc2O1)N1CCOCC1 32820290 RNVBODYRBVHZOX-JOCHJYFZSA-N 448.479 1.440 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3F)CC2)cc1C(N)=O 32854544 NQPFRXBWSXYRJL-UHFFFAOYSA-N 442.900 1.956 0 40 IDAB COC(=O)c1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)ccc1F 32906456 VXQJIPMXLJAOAW-UHFFFAOYSA-N 437.449 1.349 0 40 IDAB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc(N3C(=O)c4cnncc4C3=O)cc2)C1 33941085 HDFZFAJXNBOAJY-MRXNPFEDSA-N 435.484 1.998 0 40 IDAB CCn1cc(CN2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)c(C)n1 36614666 GDVZLLQRPBPGOP-UHFFFAOYSA-N 431.562 1.845 0 40 IDAB O=C1CN(c2ccc(NC(=O)NCCS(=O)(=O)N3CCc4ccccc43)cc2)CCN1 58393805 YMESIZRFBCLBFO-UHFFFAOYSA-N 443.529 1.137 0 40 IDAB COc1cccc(-n2c(SCC(=O)Nc3sccc3C(N)=O)nc(O)cc2=O)c1 65576002 UBIICBAJKMNZAP-UHFFFAOYSA-N 432.483 1.838 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2sccc2NC(=O)c2cnccn2)cc1 67335599 KTKPXFARBLMKAY-UHFFFAOYSA-N 431.499 1.410 0 40 IDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327597 NHFGEBFZHDJJOO-IQMFZBJNSA-N 427.501 1.516 0 40 IDAB CS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1ccc(C(F)(F)F)cc1 72354912 TZBCXPQUVFHASV-CQSZACIVSA-N 443.451 1.957 0 40 IDAB Cc1ccc(OC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nn1 96119423 IOBDMGZAOULFRI-UHFFFAOYSA-N 446.529 1.490 0 40 IDAB CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)Cc2ccccc2)CC1)C(=O)O 100771995 DDDLLUYLHYJMDV-RDGPPVDQSA-N 435.590 1.802 0 40 IDAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223998379 XYJNHNRELICIBS-AHRSYUTCSA-N 441.528 1.890 0 40 IDAB Cc1nc(CN2CC[C@]3(CN(C(=O)c4ccn(C)n4)C[C@H]3c3cn(C)cn3)C2=O)cs1 306131099 JWPMBDAISMJLJF-HRAATJIYSA-N 439.545 1.577 0 40 IDAB CCN(Cc1nc(O)c2ccccc2n1)C(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 512579693 XMOGNLVJBITOGV-UHFFFAOYSA-N 442.497 1.865 0 40 IDAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 575423463 FJHPPLVFEWGKDY-RYUDHWBXSA-N 431.319 1.183 0 40 IDAB CC(=O)N1CCCN(Cc2ccc(F)cc2)CCN(C(=O)[C@H](N)CO)Cc2ccccc21 643556715 PBKQSPJBIXGAAW-JOCHJYFZSA-N 442.535 1.733 0 40 IDAB COCC(=O)N1CCC2(CCCCc3ccccc3OCCNC(=O)[C@H](C)NC2=O)CC1 643564807 HIEGDPHOELRASQ-SFHVURJKSA-N 445.560 1.668 0 40 IDAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 4177333 LCHBOIZPBNFXQO-UHFFFAOYSA-N 429.454 1.805 0 40 IDAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(O)[nH]c2=O)c1 5929111 RXPFMNGNGWPMNI-UHFFFAOYSA-N 447.498 1.426 0 40 IDAB O=C(O)COCC(=O)N[C@H]1CCN2C(=O)c3cc(/C=C/c4ccccc4)ccc3NC(=O)[C@H]12 8296835 QDRUMOXNYVOYNM-HJGXXXIXSA-N 449.463 1.610 0 40 IDAB biogenic,in-vitro Nc1c(N(CCCO)C(=O)c2cc3ccccc3o2)c(=O)[nH]c(=O)n1Cc1ccccc1 8754788 KXUYKZUVOQOMAH-UHFFFAOYSA-N 434.452 1.943 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)Cc1ccccc1N1CCOCC1)C2=O 8898909 XAQLXWSSZYPQEB-UHFFFAOYSA-N 443.548 1.487 0 40 IDAB COCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc2c(c1)OCO2 8943450 NVHMLYOUODNERA-UHFFFAOYSA-N 430.490 1.765 0 40 IDAB C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OCO2 9415811 SIDCRQDCCKZEOJ-RYUDHWBXSA-N 438.531 1.640 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)[C@@H](C)Oc2ccccc2)CC1 9570163 IVHITJMVIDKKOE-GOSISDBHSA-N 447.557 1.731 0 40 IDAB Cc1cc(C)nc(SC[C@H](C)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1 10249053 LHYXWDHUKXRSKP-GFCCVEGCSA-N 429.550 1.859 0 40 IDAB CCn1cc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccc4c(c3)OCO4)=C2)c(C)n1 12156071 BFENEHXLDBUWNF-UHFFFAOYSA-N 431.474 1.120 0 40 IDAB COCCCN(C(=O)Cc1ccsc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12776800 CDVIQFHMGRPEID-UHFFFAOYSA-N 428.514 1.841 0 40 IDAB Cn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc21 12785416 YRSAGNBLZPRUSL-UHFFFAOYSA-N 448.932 1.527 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 13557259 ALQIHURUNINVAI-UHFFFAOYSA-N 428.466 1.624 0 40 IDAB Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(Cc4ccc5c(c4)OCO5)CC3)N2)cc1 14607002 ZNSFAHBPRQZHBD-LJQANCHMSA-N 449.511 1.725 0 40 IDAB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br 15230407 DWMLTFZFDKNDHE-MDWZMJQESA-N 444.241 1.980 0 40 IDAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 15946888 NQPYRCKGVGBOPZ-UHFFFAOYSA-N 435.477 1.605 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@H](C(=O)OC)[C@@H]3C2=O)cc1 18155352 OGHTWSBACFWVHF-LOWVWBTDSA-N 448.478 1.534 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@]3(CCc4ccccc4C(=O)N3)C2)cc1 19022609 JCUHJTGVHRRGFF-HTAPYJJXSA-N 443.525 1.373 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c(=O)c2C1 19572586 NFMNTUWDAZWTQT-SFHVURJKSA-N 448.520 1.523 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)[nH]c(=O)c2C1 19572696 HZKXHZSSSVDIHQ-AWEZNQCLSA-N 434.493 1.247 0 40 IDAB CN1CCN(C(=O)[C@@H]2CCC(=O)NC(=O)N2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589410 WNBQFMDMDXOFIT-SFTDATJTSA-N 448.523 1.801 0 40 IDAB NC(=O)C1CCN(C(=O)CN2CCO[C@H](c3nccnc3-c3cccc(Cl)c3)C2)CC1 19693065 SIELSLLMTKREDA-SFHVURJKSA-N 443.935 1.894 0 40 IDAB COC(=O)c1ccccc1NC(=O)C1=CC(c2ccccc2OC)=NS(=O)(=O)N1C 20220023 LGQFWXRMKFDPPU-UHFFFAOYSA-N 429.454 1.984 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)CC1 20244786 LERUMSCTIZNZNJ-UHFFFAOYSA-N 425.551 1.718 0 40 IDAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(S(=O)(=O)c2cccs2)CC1 20745194 KWPNEQSTLORKKN-AWEZNQCLSA-N 437.518 1.773 0 40 IDAB CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2CN2CCOCC2)c1=O 22226001 JUUVAJHXJUQAJX-UHFFFAOYSA-N 436.512 1.332 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1C 22247211 KPGLXYKSDXUTIW-FQEVSTJZSA-N 431.558 1.667 0 40 IDAB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)NCc1ccccc1 22908877 SSQKEVRRTQFYET-UHFFFAOYSA-N 428.558 1.473 0 40 IDAB CCOc1ccc(NS(=O)(=O)c2ccc(OCCOC)cc2)cc1S(N)(=O)=O 32833765 ITHOXMCTGXTOOI-UHFFFAOYSA-N 430.504 1.559 0 40 IDAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 39996843 KHKCRUQIKDWSJS-UHFFFAOYSA-N 438.594 1.954 0 40 IDAB COc1ccc(CNC(=O)Cn2cnc3c(nnn3Cc3cccc(OC)c3)c2=O)cc1 40478154 OVHFTDOKMYAPEH-UHFFFAOYSA-N 434.456 1.370 0 40 IDAB O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)Nc1ccc2c(c1)OCO2 49421696 WKAHDEXRZKIUAR-UHFFFAOYSA-N 431.401 1.583 0 40 IDAB CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3Cl)NC(=O)N2)CC1 67285834 PKEDQMPWVILJSS-QGZVFWFLSA-N 436.896 1.895 0 40 IDAB O=C(CCn1cnnn1)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352477 PDRKTPWOXSCTMB-HNNXBMFYSA-N 440.529 1.766 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc3[nH]nnc3c1)n2C 79021380 DZYCDCCOSMCPIK-UHFFFAOYSA-N 427.490 1.666 0 40 IDAB O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 107153478 LTJJAKOVNBBMIM-GJTTZZRUSA-N 439.556 1.632 0 40 IDAB CN1CCN(Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccncc3)cn12 107189379 KTMHWRRXDIGKPL-NRFANRHFSA-N 442.527 1.938 0 40 IDAB CN1CC[C@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H]1c1ccc(Cl)cc1 107541958 SMMMDIMMLNYZRL-IRXDYDNUSA-N 427.892 1.461 0 40 IDAB CCCn1c(C(=O)NC[C@@H]2CCCN2c2nccs2)cc2c(=O)n(C)c(=O)n(C)c21 206779618 HTTRYCZRHAAJEG-ZDUSSCGKSA-N 430.534 1.304 0 40 IDAB CC(C)C(=O)N[C@@H]1C[C@H](c2ccc(O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)cc2)O[C@@H]2CCC[C@@H]12 257200235 ACNUPOXVEXOXFZ-PKQYHVRHSA-N 435.517 1.275 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCCOC)cc2)cc1 408593377 QBMBBYYFGIZANJ-UHFFFAOYSA-N 436.486 1.806 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408652379 CKQFDTQWATVDAB-HODQNMRISA-N 440.452 1.541 0 40 IDAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)CC 408697113 HNBVWWRUXZNZAF-UHFFFAOYSA-N 427.504 1.882 0 40 IDAB Cc1ccccc1OCCNC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CCN1C 585168377 HCNCIJDJSNDYAP-FQEVSTJZSA-N 448.527 1.732 0 40 IDAB CNc1ncc(CN2CC(=O)NCCCCCOc3ccc(CC(=O)O)cc3C2)cn1 643574881 XTQLVJBCXGEJOK-UHFFFAOYSA-N 427.505 1.827 0 40 IDAB C[C@H](NC(=O)CCCn1cnc2c(N)ncnc21)c1ccc(OCC(=O)NC2CC2)cc1 1624941929 GWBQLKRYOMVGNU-AWEZNQCLSA-N 437.504 1.724 0 40 IDAB CCOC(=O)Cn1nnnc1[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 1327817 PAVATDNGEWXJLW-IBGZPJMESA-N 442.451 1.516 0 40 IDAB CC(C)CN(C(=O)CSc1nnc2ccccn12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3347994 YCTRUIQPWXRQKK-UHFFFAOYSA-N 445.549 1.599 0 40 IDAB CCOCCCNC(=O)[C@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(OC)cc1 4571757 HQYZSBFOQJWGJZ-OAQYLSRUSA-N 427.501 1.825 0 40 IDAB C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)C1 6530687 XVGHTSDUGWIMLB-ZIAGYGMSSA-N 429.550 1.498 0 40 IDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 9003986 MKPJNGMDBJGRSW-INIZCTEOSA-N 436.493 1.614 0 40 IDAB O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)NC[C@@H]1COc2ccccc2O1 9516667 XOVDEMDMTKQIGS-QWHCGFSZSA-N 439.515 1.095 0 40 IDAB CN(C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 9550384 CVPDWMMILZBNLB-MZEUMTGBSA-N 440.587 1.910 0 40 IDAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)c2ccccc2F)CC1 12133431 OPKMSZVCAANBAM-UHFFFAOYSA-N 448.520 1.876 0 40 IDAB CCOC(=O)N1CCC(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)CC1 12440089 FIVZPIXGNQIXRR-UHFFFAOYSA-N 433.490 1.363 0 40 IDAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 12802584 LBSQQCWKTMAWMY-RCDICMHDSA-N 431.456 1.407 0 40 IDAB O=C(CN[C@H](c1ccccc1)c1cccs1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 12913432 ZDFVCQMYVDLFRK-GHTZIAJQSA-N 433.599 1.758 0 40 IDAB Nn1c(SCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 13134636 CGDYONQSISLNGY-HNNXBMFYSA-N 447.542 1.560 0 40 IDAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 14728518 NTCWGPVGZHRBIV-UHFFFAOYSA-N 448.530 1.462 0 40 IDAB CCc1cccc2c1NC(=O)[C@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15968493 TYWOLZGGOZTIIF-KZOXXCNHSA-N 433.508 1.593 0 40 IDAB COC(=O)[C@@H](CCSC)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 16030071 PLROOIZZXLNFSK-IAGOWNOFSA-N 434.518 1.658 0 40 IDAB biogenic Cc1nc(C2CCN(C(=O)[C@@H]3CCCN(CCC(N)=O)C3)CC2)nc2c1CCCN2C 19705725 QGSGCGYJWXJCNP-GOSISDBHSA-N 428.581 1.461 0 40 IDAB COc1cccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCOCC2)c1 19819948 GJFZYTQHDFHLSP-LJQANCHMSA-N 434.514 1.818 0 40 IDAB O=S(=O)(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc2c(c1)OCCO2 22851239 HJEWLDFEKZSRKB-KRWDZBQOSA-N 448.497 1.538 0 40 IDAB CCOC(=O)N1CCC(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 24064455 QOJGCRJJDRBCKW-UHFFFAOYSA-N 429.564 1.812 0 40 IDAB CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 25083377 LLDCKYPYXLJBCR-HNNXBMFYSA-N 446.367 1.491 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc3ccccc23)C1 31806958 RDBFEMRBRDNVRW-HNNXBMFYSA-N 442.497 1.564 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CN(CC(C)C)CCO3)CC2)cc1 32863563 VIHIZAKASZRAPS-IBGZPJMESA-N 438.594 1.368 0 40 IDAB O=C(O)Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)s1 49600887 HOSWAAHZOIGCQK-UHFFFAOYSA-N 438.527 1.653 0 40 IDAB COc1cc2c(=O)n(CCO)c(=O)n(CC(=O)Nc3cccc(Cl)c3)c2cc1OC 71283683 CKGNEDCWZHLZNG-UHFFFAOYSA-N 433.848 1.465 0 40 IDAB CO[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)c1ccccc1 72273423 LLLUDWHSBIXTSX-FQEVSTJZSA-N 445.497 1.238 0 40 IDAB COC(=O)[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 72309262 YHZNHJXVOIVUGI-MRXNPFEDSA-N 448.900 1.280 0 40 IDAB COCCN1CC2(CCN(C(=O)c3cncn3C)CC2)COc2ccccc2S1(=O)=O 96145184 HXHQIBNRDYIUTD-UHFFFAOYSA-N 448.545 1.372 0 40 IDAB CCC(CC)CNC(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2 96147562 VWGKWBRWYOIEPG-UHFFFAOYSA-N 447.561 1.631 0 40 IDAB CC(=O)Nc1ccc(NC(=O)CN2C[C@@H](O)[C@H](Oc3ccc(CC(=O)O)cc3)C2)cc1 257320417 VWSBMDHQBKYOGY-WOJBJXKFSA-N 427.457 1.335 0 40 IDAB C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1)C(=O)N1CCOCC1 408610682 VGYHHNPFILFXON-HNNXBMFYSA-N 448.497 1.885 0 40 IDAB COc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)cc1 408614888 JGUITBLWPNFMLR-HZPDHXFCSA-N 441.484 1.563 0 40 IDAB COc1ccc(CNC[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)c(OC)c1 585291885 UXHGJYXKSLNHKM-IRLDBZIGSA-N 434.920 1.624 0 40 IDAB COc1ccc2c(c1)CC[C@H](NC(=O)c1ccc3c(c1)S(=O)(=O)N=C1N=CNN13)C2 680056523 IAGBPCBHFHZNNR-HNNXBMFYSA-N 425.470 1.394 0 40 IDAB O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 681675958 NISUOKQJHXLDHU-QFIPXVFZSA-N 441.509 1.444 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 2803106 HSNRRQPCWZSKOD-INIZCTEOSA-N 449.504 1.804 0 40 IDAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O 3256139 DCFPCYQGMIYJLB-NRFANRHFSA-N 444.875 1.685 0 40 IDAB COc1ccc(C(=O)O[C@@H](C)C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCOCC1 9315477 BJBRWWUANRGQHW-AWEZNQCLSA-N 440.518 1.320 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2c(c1)OCCO2 9493635 YTZJVRSYZYZHQG-UHFFFAOYSA-N 434.470 1.740 0 40 IDAB COC(=O)c1ccc(NCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 11125816 OIDPNHBZTFHZRK-UHFFFAOYSA-N 435.477 1.557 0 40 IDAB COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)c1 12232216 QALLDSGBYBEDTK-UHFFFAOYSA-N 441.513 1.637 0 40 IDAB O=C1CC[C@H](C(=O)Nc2nc(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)cs2)N1 12634612 QUELLSUCIUNZIV-MRXNPFEDSA-N 447.948 1.905 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)CC2)c(C)c1 12774753 TWXYRUPPSYDGRE-UHFFFAOYSA-N 442.541 1.490 0 40 IDAB COc1cccc2sc(N3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nc12 13705018 SLCZRVXBMOVXAQ-UHFFFAOYSA-N 438.575 1.625 0 40 IDAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 16695020 YEJHNAHEPJTWCE-UHFFFAOYSA-N 441.469 1.831 0 40 IDAB C[C@@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 18813075 KASOSUDXGITZSA-YPMHNXCESA-N 444.893 1.215 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc4nsnc34)CC2)cc1 19077327 TXILUVQTPSLQTB-UHFFFAOYSA-N 431.543 1.945 0 40 IDAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)CCn2cnnn2)CCO1 19580629 CQVZMPVERHKQAI-XMMPIXPASA-N 448.527 1.659 0 40 IDAB CO[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)C1 19592585 ALVCSOCHWHWKOT-RCCFBDPRSA-N 442.560 1.976 0 40 IDAB Nc1cc(=O)[nH]c(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 20198338 SWVBJTWEPZNNOP-QGZVFWFLSA-N 445.526 1.149 0 40 IDAB CCCCN(C(=O)Cn1ccc(C(F)(F)F)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 21336392 VUHFHJWGTKLGMK-UHFFFAOYSA-N 430.431 1.823 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)NCc1cccnc1 22228473 SXNDVBZBMNLWFQ-UHFFFAOYSA-N 430.530 1.231 0 40 IDAB CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)N(CC(=O)O)C(=O)CO3)c1C 23144793 WKHBTQZDNXQCBP-UHFFFAOYSA-N 447.469 1.954 0 40 IDAB Cn1ncc2c(=O)n(CC(=O)NCC3(NC(=O)OC(C)(C)C)CCCCCC3)cnc21 24496075 VLZBFGCCHGDMSP-UHFFFAOYSA-N 432.525 1.864 0 40 IDAB CN(C)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1 25204880 LTTFZQANWFGMBT-UHFFFAOYSA-N 440.747 1.432 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(C(=O)C(C)C)CC2)cc1OC 25248179 QZQWGNDXNLLUJW-UHFFFAOYSA-N 441.550 1.135 0 40 IDAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 32784386 VHVZENUDBPNIMJ-PXNSSMCTSA-N 443.500 1.951 0 40 IDAB CC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 32902371 LPPVUIOIZCEXJQ-NSHDSACASA-N 438.369 1.164 0 40 IDAB CC(=O)CC(C)(C)NC(=O)CCN1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 40161609 RMMKHEKRNMTWCS-UHFFFAOYSA-N 437.562 1.460 0 40 IDAB COCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C 57120609 GIUQCUASWMZPDG-UHFFFAOYSA-N 446.939 1.056 0 40 IDAB COC(=O)[C@H](CNC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)Cc1ccc(O)cc1 78975013 DWOFOFSDMONIKW-IRXDYDNUSA-N 439.468 1.751 0 40 IDAB CN(C)C(=O)CN1[C@H]2CCN(Cc3ccccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145836 PCDNJMXPCJVWRB-OALUTQOASA-N 444.557 1.586 0 40 IDAB Nc1snnc1C(=O)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 97019871 HZPVDIFCBWOQBF-UHFFFAOYSA-N 430.494 1.993 0 40 IDAB COc1cc(CN2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)ccc1OCC(N)=O 257290217 QCBHHCOAGAPTMF-JOCHJYFZSA-N 435.484 1.985 0 40 IDAB C[C@]1(O)COC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)C[C@@H]1NS(C)(=O)=O 257342532 ZPBHNVQUEKRNSE-ICSRJNTNSA-N 433.530 1.299 0 40 IDAB O=C1CN(C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)C(=O)N1CC(F)(F)F 585148542 XOKIMDRMMUKRDI-UHFFFAOYSA-N 437.415 1.946 0 40 IDAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN([C@H]4CCN(CC(F)(F)F)C4=O)CC3)n2)n1 1776000836 MOCJOQPLSMRCHR-INIZCTEOSA-N 438.454 1.846 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@H]3CN(c4ccc(Cl)cn4)C[C@@H]3C2)cc1C(N)=O 2298233199 OBXVOVXVEFNTCB-CHWSQXEVSA-N 436.921 1.599 0 40 IDAB CCCC(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC 5396003 ZSLUCURJGQBZTH-DLBZAZTESA-N 438.546 1.816 0 40 IDAB CCN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)CC(=O)NC(C)(C)C 7683277 WXYLHGQGBNBKRX-QFIPXVFZSA-N 431.537 1.198 0 40 IDAB NC(=O)[C@@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1N(c1ccc(Cl)cc1)C(=S)N2Cc1cccs1 8253659 QLDZMGLVHJAZOO-HHARLNAUSA-N 437.974 1.973 0 40 IDAB biogenic,in-vitro CCCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@]3(C)CCS(=O)(=O)C3)nnc12 9395457 WDUIVUMOMPKZBB-LJQANCHMSA-N 449.558 1.240 0 40 IDAB COC(=O)C1CCN(C(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(CC(C)C)c2=O)CC1 10488792 ZSKXVEXRKJFFIC-UHFFFAOYSA-N 447.536 1.083 0 40 IDAB COc1ccc(Cl)cc1NC(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2C 11758050 QRHODTOUFMKECO-UHFFFAOYSA-N 435.893 1.728 0 40 IDAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1 12507981 GKFZJGUUDJJGOK-UHFFFAOYSA-N 426.444 1.131 0 40 IDAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21 12881282 ZLMDCMWBCPSBAR-CYBMUJFWSA-N 431.470 1.694 0 40 IDAB COc1cc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc(Cl)c1OCC(N)=O 12932413 XMHPLXKVKAOQFA-UHFFFAOYSA-N 435.864 1.840 0 40 IDAB O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 17150084 SPXOZITZIJYWNY-UHFFFAOYSA-N 443.500 1.808 0 40 IDAB CCOC(=O)C1=NN[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12 18169805 PEGQUHIGERVKBN-VHSXEESVSA-N 433.774 1.042 0 40 IDAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)CN1CCCCCC1=O)CC2 19752424 XGMYSKRCWSMZSU-QGZVFWFLSA-N 442.564 1.532 0 40 IDAB Cc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)NCc3ccc(Cl)cc3)CC2)cc1 19831458 XOYAQZNFEHOCJD-UHFFFAOYSA-N 442.947 1.839 0 40 IDAB CC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ncccn2)CC1 20150896 VIUQCVUKRGWMEN-SFHVURJKSA-N 442.549 1.476 0 40 IDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 24749639 NANKTFVJHAGVIM-HZPDHXFCSA-N 431.580 1.020 0 40 IDAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1=O 48291073 UKPJGIRIYKQSBX-SFHVURJKSA-N 436.516 1.865 0 40 IDAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)[nH]n1 57730181 FDKOFSXKGOIASK-GFCCVEGCSA-N 431.522 1.568 0 40 IDAB C[C@@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 61984092 XNNCFLDMFTWHAO-AWEZNQCLSA-N 446.554 1.614 0 40 IDAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)Nc1cc(F)ccc1F 70902521 ZITRIZOGSNSKJA-UHFFFAOYSA-N 438.456 1.515 0 40 IDAB CN1C(=O)Cc2cc(S(=O)(=O)N3CCCc4cc(S(=O)(=O)N(C)C)ccc43)ccc21 89385708 LYEIIYGAJWACKG-UHFFFAOYSA-N 449.554 1.597 0 40 IDAB CCOC(=O)CN1C(=O)[C@@]2(N[C@@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21 100166535 RXSJDMJKDUSMSN-HLNFGFGFSA-N 447.491 1.585 0 40 IDAB CN1CCN(CC(=O)N2N=C(c3ccccc3NS(C)(=O)=O)C[C@@H]2c2ccco2)CC1 226818048 MOYKWAQTKDKAJX-LJQANCHMSA-N 445.545 1.576 0 40 IDAB Cc1sc2ncnc(NCCC(=O)N3C[C@@H](O)[C@H](n4cc(C)c(=O)nc4O)C3)c2c1C 257340696 ZHEWEGKNEVGYOS-ZIAGYGMSSA-N 444.517 1.125 0 40 IDAB O=C(NCCn1nc(-n2cccn2)ccc1=O)[C@H]1CCCN(c2ccc(C3CC3)nn2)C1 585150001 VQJXDJOYVAHWDZ-KRWDZBQOSA-N 434.504 1.129 0 40 IDAB CC(C)N1CCN([C@@H]2CCN(C/C=C/CN3CC[C@@H](N4CCN(C(C)C)CC4)C3)C2)CC1 610394627 PCWZFPIIEWPBKO-RBINCUJASA-N 446.728 1.743 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)cc1 1888904372 JFKHWFJJNKZDBM-HDICACEKSA-N 441.557 1.813 0 40 IDAB COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccncc3)cc2)ncn1 3207170 METZGGKLXKVCJQ-UHFFFAOYSA-N 444.498 1.808 0 40 IDAB COC(=O)Cn1c(=O)c(C(=O)CN2CCCCCCC2)c(N)n(Cc2ccccc2)c1=O 3360748 MCUNOPFGAJXBIE-UHFFFAOYSA-N 442.516 1.262 0 40 IDAB CC(C)C[C@@H](C(=O)NC(C)(C)C)N(C[C@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N 6134975 GXOAYZPJQNCWMT-OLZOCXBDSA-N 439.582 1.775 0 40 IDAB COCCNc1nnc(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)s1 8894630 DDQFXVVZZBSHDF-UHFFFAOYSA-N 428.540 1.220 0 40 IDAB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NC[C@@H]3CCCO3)nc(C(C)(C)C)nc21 9284780 KVMSRRLPLCOERY-ZDUSSCGKSA-N 449.577 1.585 0 40 IDAB Cc1c(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(=O)n(-c2ccccc2)n1C 9442793 URQPAINUPBXUMX-XMMPIXPASA-N 445.479 1.816 0 40 IDAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 9503400 FKRMFKQAPDNSON-QGZVFWFLSA-N 443.591 1.309 0 40 IDAB COCCN(C(=O)CN1CCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9589457 HCABINCODKVCQU-UHFFFAOYSA-N 449.511 1.209 0 40 IDAB COc1ccc(-n2nnc3c(N4CCN(C(=O)COc5ccccc5)CC4)ncnc32)cc1 9850221 NLRUQOZJFSJTJK-UHFFFAOYSA-N 445.483 1.947 0 40 IDAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2nnc3ccccn23)C1=O 9952204 KNCSSRNGMCMQKT-HSZRJFAPSA-N 428.452 1.966 0 40 IDAB Cc1cc(C)n2nc(SCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)nc2n1 11020045 RKBZXYNBXWEBAH-HUUCEWRRSA-N 439.563 1.028 0 40 IDAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)c2ccccn2)CC1 12133451 CBVNVYMQWYTBBV-UHFFFAOYSA-N 431.518 1.132 0 40 IDAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)COCC(=O)O)CC2)on1 12154520 SREWGCUZXYMQAA-UHFFFAOYSA-N 445.476 1.084 0 40 IDAB COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CC(=O)C(C)(C)C)c(=O)n2C 12232099 AALOUKYSQNZKFN-UHFFFAOYSA-N 430.509 1.269 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)CCCn2c(=O)oc3ccccc32)c(=O)[nH]c1=O 12897415 QYIQHUUUYXWNBT-UHFFFAOYSA-N 429.477 1.660 0 40 IDAB CC(C)C[C@@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1=O 13063451 FYGCXLPEOKQPRE-LJQANCHMSA-N 444.504 1.585 0 40 IDAB CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(N)=O)CC1 13555057 JAQOPFGIABGLHP-UVFQYZLESA-N 446.523 1.433 0 40 IDAB CSCC[C@@H](NC(=O)c1cccc(C(=O)N[C@H](CCSC)C(=O)O)c1)C(=O)O 16248642 AXBUJFLHFQYCHL-ZIAGYGMSSA-N 428.532 1.559 0 40 IDAB Cn1c(=O)c2c(nc(N3CCCCC3)n2C[C@@H](O)COc2ccccc2Cl)n(C)c1=O 16839470 BQWVSCOZDSCWPZ-CQSZACIVSA-N 447.923 1.517 0 40 IDAB O=C(Cn1nnc2ccccc21)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 19376710 YJBIPCNSVLEOEH-HXUWFJFHSA-N 426.502 1.400 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)COc3ccccc3)C1)C2=O 19699976 OFIBPAOPCVBLNR-GOSISDBHSA-N 428.533 1.853 0 40 IDAB CNc1nc(C2CCN(C(=O)COC[C@H]3CCCCO3)CC2)nc2c1CCN(C(C)=O)C2 19710840 ZKBUFYXBRDUQSZ-GOSISDBHSA-N 445.564 1.715 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19720302 QHLXCBWAGPWVSJ-QGZVFWFLSA-N 445.541 1.735 0 40 IDAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1 20465391 WSWLBCBHAHKVII-CLAROIROSA-N 444.507 1.259 0 40 IDAB biogenic,in-vitro C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CS2 25274487 PUTQAIGTRMGAER-QAPCUYQASA-N 443.978 1.627 0 40 IDAB CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2c(C)cccc2CC)c1=O 32682568 APYPKKZAMWCPCC-UHFFFAOYSA-N 443.548 1.738 0 40 IDAB O=C(NCC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1 32863699 MATHLBYTAWDASE-UHFFFAOYSA-N 434.493 1.870 0 40 IDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 35898263 XBOKQNSWCGYWGW-FYQPLNBISA-N 442.493 1.800 0 40 IDAB CCCS(=O)(=O)NC1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)CC1 40133733 ANQPBAIKOZAKER-UHFFFAOYSA-N 447.579 1.307 0 40 IDAB CCOC(=O)c1cccc(NC(=O)CN2C(=O)S/C(=C3/SC(=O)NC3=O)C2=O)c1 65090548 JOZGCWJIUYLHPY-VAWYXSNFSA-N 435.439 1.692 0 40 IDAB CCN(C(=O)CN(C)Cc1cccc(O)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 72308180 HMMPLZPHIOCIMH-UHFFFAOYSA-N 437.500 1.358 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)S[C@@H]([C@@H]3SC(=O)NC3=O)C2=O)cc1 101375891 ANODIKIDQNDLGU-RYUDHWBXSA-N 437.455 1.217 0 40 IDAB C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222818061 UCLLRGDBBAEUBG-AWEZNQCLSA-N 441.937 1.858 0 40 IDAB NC(=O)C1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)CC1 223628712 YRTARDXEIVUUDK-UHFFFAOYSA-N 429.911 1.330 0 40 IDAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223794814 OVSLWFKGYZVESA-CQSZACIVSA-N 447.488 1.524 0 40 IDAB COc1ccccc1OCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223989927 OXVMKGUWKVKJCT-UHFFFAOYSA-N 436.486 1.428 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O 226041048 USCHDDDCAHDSCE-UHFFFAOYSA-N 431.580 1.778 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2)cn1C 240104309 UPMKGMZWFLODPQ-UHFFFAOYSA-N 448.517 1.233 0 40 IDAB CN(C[C@]1(O)CCCN(c2ccc3nccn3n2)C1)C(=O)CC1(CC(=O)O)CCCC1 257206605 BEDZPYDIWYPWDM-JOCHJYFZSA-N 429.521 1.944 0 40 IDAB Cc1csc(Nc2cccc([C@@H]3CN(S(=O)(=O)N4CCOCC4)CCO3)n2)n1 257298398 RLLMNHUWILXBPZ-HNNXBMFYSA-N 425.536 1.540 0 40 IDAB O=S1(=O)C[C@@H](N(c2cccc(O)c2)S(=O)(=O)c2ccc3ccccc3c2)[C@@H](O)C1 575420546 CNNCFKSPAONHOH-UXHICEINSA-N 433.507 1.899 0 40 IDAB CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CN(c4cc(-n5cncn5)ncn4)C3)nc21 575607212 AVDLYTVVKUMHRY-LBPRGKRZSA-N 440.489 1.182 0 40 IDAB COCC(=O)N1CCN(CC2(O)CCCCC2)C[C@](O)(COc2cccc(F)c2F)C1 585287639 PUEBEROWOVICPC-JOCHJYFZSA-N 442.503 1.561 0 40 IDAB CCC(=O)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643580429 ICLPQWRSRBKSJT-LEWJYISDSA-N 447.576 1.741 0 40 IDAB Cc1cnc(OC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 1164055321 VPOKFVCXVGSQPU-UHFFFAOYSA-N 446.529 1.490 0 40 IDAB O=C(Cn1cnc2ccccc21)N1CCN2C(=O)OC3(CN(c4ccc(F)cn4)C3)[C@@H]2C1 1549161498 LJLVRDOFKAIHNF-SFHVURJKSA-N 436.447 1.492 0 40 IDAB CC(=O)N[C@@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 2129618 NWNJMUITOYPCJP-MJVIPROJSA-N 437.780 1.974 0 40 IDAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)c(C)c1N(C)S(C)(=O)=O 8754070 JEPOXQVKUTYVFH-UHFFFAOYSA-N 431.580 1.380 0 40 IDAB O=S(=O)(c1cccs1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 9708509 HJGOYBQQYMRCFC-UHFFFAOYSA-N 428.557 1.950 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)n(C)c1=O 9713202 XXQWGUULIVGEBB-UHFFFAOYSA-N 429.436 1.979 0 40 IDAB COC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc1 9745356 AJJUHADVMGDEAK-UHFFFAOYSA-N 430.530 1.811 0 40 IDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 9807055 PDYGSVHXUSOBKE-AWEZNQCLSA-N 441.962 1.987 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1 9837657 DKQRYQLCAYUWLZ-QGZVFWFLSA-N 433.534 1.436 0 40 IDAB COc1ccc(NC(SCC(=O)NCC(C)C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9973676 QGNGLALJANSGBZ-UHFFFAOYSA-N 434.518 1.875 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@@H](c2ccc(O)c(OC)c2)n2nnnc2N1 10232313 NCPWRLKGGAMNRL-GOSISDBHSA-N 437.412 1.721 0 40 IDAB Cc1cccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1C 10271924 YSNJOHWDJKQHEV-UHFFFAOYSA-N 442.479 1.908 0 40 IDAB COc1ccc(OC)c(CCNC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 12005952 BXRUWJKJPLQQEE-AWEZNQCLSA-N 432.498 1.989 0 40 IDAB biogenic CN(CC(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CCCC3)[C@@H]1CCS(=O)(=O)C1 12154136 FTBPCPHORBLBDC-KDOFPFPSSA-N 447.561 1.096 0 40 IDAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cn2nnn(-c3ccccc3)c2=S)CC1 13072025 IVAVYZXYPNIUBQ-UHFFFAOYSA-N 434.522 1.901 0 40 IDAB O=C(CCNS(=O)(=O)c1cccc(Br)c1)N1CCN(C(=O)C2CC2)CC1 14071291 CQGRJKVKAZFQGD-UHFFFAOYSA-N 444.351 1.198 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ncccn3)CC2)cc1 14797584 QTRYFDACAUIBDD-UHFFFAOYSA-N 431.562 1.789 0 40 IDAB CCNc1nc(NCC)n2nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)nc2n1 19833484 VKVGLGLJNMZWNH-UHFFFAOYSA-N 430.494 1.900 0 40 IDAB COCCNC(=O)Cn1nc2c(c1NC(=O)C(=O)c1c[nH]c3ccccc13)CSC2 23138938 HQWWNEGMDNAVGX-UHFFFAOYSA-N 427.486 1.695 0 40 IDAB Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1Cl 28052412 YNRCKZQUTWRISP-UHFFFAOYSA-N 430.379 1.723 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCCc2ccccc2)cc1 32957422 YARPKZQKUUTOIB-UHFFFAOYSA-N 447.513 1.168 0 40 IDAB COc1ccc(OC)c(-c2cc(N)c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)n2)c1 36709046 PILNKYBRFZJJOZ-UHFFFAOYSA-N 438.440 1.555 0 40 IDAB CCN(CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)S(=O)(=O)c1ccccc1 39985885 BYUXCBIBDHIUSQ-UHFFFAOYSA-N 434.470 1.909 0 40 IDAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1cccc(OC)c1 67287080 DUDRMHVOXQKTRB-LJQANCHMSA-N 431.489 1.705 0 40 IDAB C[C@H]1CN(CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)C[C@H](C)O1 95459716 LVIHGPVJYXIAIX-HOTGVXAUSA-N 439.503 1.811 0 40 IDAB Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)cc1F 98213203 WXUKKJSYJIHVOK-UHFFFAOYSA-N 427.411 1.926 0 40 IDAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCCSc1ncn[nH]1 222648427 YLXQTBRBVYSJNK-UHFFFAOYSA-N 425.536 1.313 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)s1 225210367 AOJJBKAAZSTNCX-UHFFFAOYSA-N 434.496 1.347 0 40 IDAB O=C1CN([C@@H]2CCC[C@@H](NC(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)[C@H]2O)CCN1 257211509 BZCWBKDKHCGMKO-XNRPHZJLSA-N 425.411 1.025 0 40 IDAB CN(C)[C@@H]1CC[C@@]2([C@H](O)CNC(=O)CCC(=O)O)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257255317 KHAIYQPXEQHUCZ-YQJKAQBDSA-N 448.560 1.505 0 40 IDAB CC(=O)N1CCC(N2CC3(CN(C(=O)Nc4ccccc4)C[C@@H]4COCCN43)C2)CC1 604382027 ZOXQOEHEWQPMOY-OAQYLSRUSA-N 427.549 1.300 0 40 IDAB biogenic,in-vitro CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)O)CC(=O)N[C@H](C(C)C)C(=O)N1 643563530 ZBAGKPZYIMHKRS-SIXWZSSISA-N 433.505 1.324 0 40 IDAB COCCNC(=O)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)c2ccc(COC)cc2)C1 1614940618 SBNAPDMQGIRFRZ-QHCPKHFHSA-N 441.532 1.670 0 40 IDAB CCCCn1c(=O)n(Cc2nc(-c3ccsc3)no2)c(=O)c2c1ncn2CCOC 9318204 YDTRLPWDQUMFKT-UHFFFAOYSA-N 430.490 1.966 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 10127446 QELVJVCWPWTJKX-JTQLQIEISA-N 426.292 1.854 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCc2nccn2C(F)F)c1 11394708 BUBYYLBGECVZLI-UHFFFAOYSA-N 444.460 1.722 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)Nc3nccs3)CC1)O2 12087088 GCURFXXLXAMEOJ-FQEVSTJZSA-N 430.486 1.664 0 40 IDAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)C3CCN(S(C)(=O)=O)CC3)nn2c1O 12154098 CTXDMWKWXHPDFT-QGZVFWFLSA-N 435.550 1.641 0 40 IDAB CCOC(=O)c1[nH]c(COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C(=O)OCC)c1C 12530720 LQNZICPGZHUVFC-KBPBESRZSA-N 448.472 1.895 0 40 IDAB CCOC(=O)C1=C(CN(C)Cc2nc3ccccc3c(=O)[nH]2)NC(=O)N[C@H]1c1ccco1 12890141 GROIACZJVVYKBD-IBGZPJMESA-N 437.456 1.819 0 40 IDAB O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1 13074129 FLRAPWWHJBYFIC-UHFFFAOYSA-N 445.541 1.865 0 40 IDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 13574013 OPNZIEVNEBUACP-PLUMWTSRSA-N 436.306 1.349 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)c1 22227607 UOWQZSGTLOZWBD-UHFFFAOYSA-N 442.559 1.912 0 40 IDAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccccc2N2CCCC2=O)CC1 22932429 MNNIHBABQIEQMZ-UHFFFAOYSA-N 429.565 1.674 0 40 IDAB O=C(NC[C@H]1CCCO1)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 29997719 VAJFJCDOLAVVLP-GOSISDBHSA-N 429.569 1.584 0 40 IDAB CCCCN1C(=O)c2ccc(C(=O)OCC3=C(C(=O)OCC)[C@@H](C)NC(=O)N3)cc2C1=O 32911131 RSCBQOMTZMJJER-GFCCVEGCSA-N 443.456 1.758 0 40 IDAB CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 58014675 VGGXHACUVIEFRO-GDBMZVCRSA-N 432.539 1.262 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCC3(CC2)OCCO3)nc1N 67336240 PQXMRJKMKXQZHS-UHFFFAOYSA-N 440.909 1.897 0 40 IDAB CNC(=O)Cn1nnn(-c2ccc(NC(=O)C3(c4cccs4)CCCC3)cc2)c1=O 77100216 JJXLZDYRTBRMAG-UHFFFAOYSA-N 426.502 1.687 0 40 IDAB COc1c(-c2c3c(=O)[nH]n(C(C)C)c3nc3[nH]c(=O)n(C)c23)cc2c(c1OC)OCO2 85412530 OWYVKRSAQUQWFE-UHFFFAOYSA-N 427.417 1.898 0 40 IDAB CC(C)NC(=O)N1CCN(c2ccc3ccc(C(=O)N4CCCN(C)CC4)cn23)CC1 96156032 AVQRUXCCEVAMSM-UHFFFAOYSA-N 426.565 1.957 0 40 IDAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2)CC1 225273011 FYIUTCWUHSZREA-IBGZPJMESA-N 445.541 1.334 0 40 IDAB O=C(NCc1ccco1)c1cc(C2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)n[nH]1 225560563 GAUUPBOHAHWNGQ-UHFFFAOYSA-N 446.471 1.928 0 40 IDAB CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 245229603 BSGYUIALRLVCSU-BHQAQYLNSA-N 437.540 1.921 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)cn1C 253472197 KBEJLHNLPYSIJK-FNORWQNLSA-N 432.502 1.394 0 40 IDAB COc1ccc(OC)c(N2C[C@@H](C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)CC2=O)c1 257199162 VHYCPYAJZVMXGV-BBWFWOEESA-N 437.496 1.864 0 40 IDAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccnc(N2CCOCC2)c1 257285939 PJMNOUGRRHNABS-OAQYLSRUSA-N 437.544 1.033 0 40 IDAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 408581909 BANLWTHUZZWELF-UHFFFAOYSA-N 426.520 1.912 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2cccc(C)c2)cc1 408623087 CSGSXBQZRHQCJW-UHFFFAOYSA-N 431.558 1.947 0 40 IDAB O=C1[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1cccc(I)c1 409293489 YSLSVPAQFQPNDV-ZOPJHEKZSA-N 439.205 1.477 0 40 IDAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCN(Cc3ccc(F)cc3)CC2)C1 585289498 IUUAVOQDLHBWST-NOZRDPDXSA-N 441.547 1.510 0 40 IDAB Cc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)nc(N2CCCC2)n1 1570000233 SCMJZCAFDGUQNS-UYAOXDASSA-N 441.507 1.345 0 40 IDAB Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 3246806 XPUKSQLMFFCFSM-UHFFFAOYSA-N 432.498 1.489 0 40 IDAB O=C(O)CCCC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 5440521 WWSPEIAGVZORSO-XAMWDVODSA-N 430.436 1.601 0 40 IDAB biogenic,in-vitro CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC[C@@H]1CCCO1 9453056 JMWOZEJYHSBJPU-KUDFPVQQSA-N 445.516 1.247 0 40 IDAB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)NCC(F)(F)F 9631231 VLANVPVEXLHYBA-UHFFFAOYSA-N 427.356 1.899 0 40 IDAB C[C@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCc2ccccc21 9961163 MHLQABMGNQDORQ-AWEZNQCLSA-N 427.482 1.636 0 40 IDAB C[C@H](C(=O)N1CCC[C@@H](CO)C1)N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 12085907 RJYHKSUIFCCMBY-HLFMIMNKSA-N 448.951 1.824 0 40 IDAB CCn1c(SCC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)nnc1N1CCOCC1 12788665 DFMNPGKGCFFCFI-KRWDZBQOSA-N 445.545 1.353 0 40 IDAB CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)ccc12 12871575 JLARNNJLNBOOBC-NRFANRHFSA-N 432.473 1.856 0 40 IDAB biogenic COC(=O)[C@H](Cc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 13101332 ORSGVKADGXUYLU-IBGZPJMESA-N 447.513 1.214 0 40 IDAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)sc2c1 13793177 UEHHRWWIPQADRF-CYBMUJFWSA-N 446.576 1.299 0 40 IDAB O=C(NCCO)c1sc2ncccc2c1[C@H]1CN(C(=O)CN2CCCCCC2)CCO1 19702958 ZZFCLPCMMDOOBI-QGZVFWFLSA-N 446.573 1.794 0 40 IDAB CCCOc1ccc([C@@]2(C)C(=O)N(CN3CCOCC3)C(=O)N2CN2CCOCC2)cc1 20595495 VKGIJAMETWMEPS-QHCPKHFHSA-N 446.548 1.534 0 40 IDAB C[C@H]1C[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)O1 32736533 QPIPEMAFTKTRNB-SJCJKPOMSA-N 425.459 1.106 0 40 IDAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1CCCC1 58166201 RDBSDFZYKCSDJH-AWEZNQCLSA-N 440.518 1.507 0 40 IDAB O=C([C@@H]1CCCN(Cc2nc(-c3ccncc3)no2)C1)N1CCN(c2ncccn2)CC1 62022928 KTBKEBLYFLAFQF-GOSISDBHSA-N 434.504 1.482 0 40 IDAB CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 69617832 IPVGVQIDKGNSPK-QGZVFWFLSA-N 425.576 1.758 0 40 IDAB NC(=O)CN1CCCN(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1 72313457 HXAWULDNDCWGSZ-UHFFFAOYSA-N 444.557 1.546 0 40 IDAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)CCc2ccco2)CC1 72335930 YDBQXNYZEVYYHP-UHFFFAOYSA-N 448.545 1.649 0 40 IDAB O=C1C[C@H](N2CCC(NS(=O)(=O)c3ccccc3)CC2)C(=O)N1Cc1ccccc1 78265883 ZMMAUDMHKMXBMI-FQEVSTJZSA-N 427.526 1.757 0 40 IDAB CN1CCN([C@H]2CCCCN(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3F)C2)CC1 95454981 GBENWZOMWXKCCT-INIZCTEOSA-N 441.573 1.710 0 40 IDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 102847089 JOQRVAJXADVMSN-QZTJIDSGSA-N 433.530 1.975 0 40 IDAB CCOC(=O)C1=C(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)NC(=O)N[C@@H]1c1ccco1 107067139 PCSQIPTYKNLCTO-NVXWUHKLSA-N 435.477 1.493 0 40 IDAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 219267562 SOSDGQVQJOXJTH-YOEHRIQHSA-N 425.551 1.932 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)cc1 225638697 PKDOICCXKZJWEL-INIZCTEOSA-N 433.442 1.863 0 40 IDAB Cn1cnc(S(=O)(=O)N2CC[C@@](Cc3cc(-c4ccc(F)cc4)no3)(C(N)=O)C2)c1 257251570 JRHGHLCTKNIHTO-IBGZPJMESA-N 433.465 1.323 0 40 IDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O 408548305 FZBYOOUHVDCTNZ-MHWRWJLKSA-N 439.424 1.778 0 40 IDAB COc1cccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c1OCC(=O)Nc1ccccc1 408591284 JKLFWOPEZOQPFT-XNTDXEJSSA-N 425.397 1.690 0 40 IDAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(Br)cc1 408661791 OLKCFQQGIVSBOD-NXKWAJLKSA-N 433.258 1.738 0 40 IDAB Cc1ccc(NC(=S)N[C@H]2CS(=O)(=O)C[C@@H]2NC(=O)C(Cl)(Cl)Cl)cc1 575419905 AKUNEWOUAKRQOH-QWRGUYRKSA-N 444.793 1.933 0 40 IDAB COc1nc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)n1 575606857 MCUKQEQJKVFGFA-UHFFFAOYSA-N 428.371 1.937 0 40 IDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 578150697 DHJWVINMPUOMNU-QHCPKHFHSA-N 448.483 1.415 0 40 IDAB Cn1cc(-c2ccc3c(c2)NC(=O)CN2CCN(C(=O)c4nccs4)C[C@H]2CO3)cn1 1772594636 SEEWNTJGCYTGQE-INIZCTEOSA-N 438.513 1.701 0 40 IDAB Cc1noc(C)c1S(=O)(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1 1775964020 OGARBTFHCFUYAT-AWEZNQCLSA-N 432.462 1.412 0 40 IDAB biogenic,in-vitro CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)CCc5ccccc5)C[C@H]4C3)ncnc21 1888935239 IJQPWBXWNHBEAQ-QZTJIDSGSA-N 426.546 1.787 0 40 IDAB Cc1cc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)nc(N2CCOCC2)n1 2086889585 XGCWWFZFRCIZMR-UHFFFAOYSA-N 436.516 1.040 0 40 IDAB O=C(NCc1cccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363827 PNCSNWWBXSBBOJ-CQSZACIVSA-N 432.531 1.441 0 40 IDAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCO)CC(=O)N32)cc1OC 2101603 WLUQOEBTDFZYSH-FDDCHVKYSA-N 435.480 1.862 0 40 IDAB biogenic COc1nccnc1NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccnc2)cc1 2227326 WBVIRDIDIFJCDT-UHFFFAOYSA-N 444.498 1.808 0 40 IDAB COc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1S(=O)(=O)N1CCOCC1 9495670 XQLRSBAUTDCSHV-UHFFFAOYSA-N 443.485 1.549 0 40 IDAB CCOc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 9570248 MXTWZZBFNMDCMS-UHFFFAOYSA-N 431.558 1.896 0 40 IDAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9671335 SKIPTRVKJCOUTA-UHFFFAOYSA-N 437.543 1.778 0 40 IDAB COc1ccc(CNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)cc1 11906105 BBLNEXBLALHNNH-UHFFFAOYSA-N 440.499 1.249 0 40 IDAB CCn1c(SCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)nnc1N1CCOCC1 12788661 DFMNPGKGCFFCFI-QGZVFWFLSA-N 445.545 1.353 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 13129770 YBTFCAJQQNPTEC-HNNXBMFYSA-N 447.513 1.757 0 40 IDAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C)CC3)cc2c1 19522976 DXJDFRVYYCUAQU-WIYYLYMNSA-N 437.548 1.593 0 40 IDAB CNc1nc([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)nc2c1CN(C(C)=O)CC2 19710463 OQZFKHTXDBNHBR-GOSISDBHSA-N 428.581 1.861 0 40 IDAB Cc1nc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)nc2c1CCC(=O)N2CC(C)C 19740462 ILICINHCKQNYKB-QGZVFWFLSA-N 437.566 1.434 0 40 IDAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)C1 20244406 WYWSGVKVSPCXHQ-IAGOWNOFSA-N 428.574 1.923 0 40 IDAB Cc1ccc(C(=O)CCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1 21423069 XCIPMZKEVIXSBR-UHFFFAOYSA-N 438.527 1.569 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3nn(C)cc32)cc1 21713977 XODWMCLJPIUXKF-UHFFFAOYSA-N 447.451 1.370 0 40 IDAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 24756778 GYEFWVKFYANGKH-DOMZBBRYSA-N 444.351 1.054 0 40 IDAB CCOC(=O)C(NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)C(=O)OCC 25993033 DZAYWSDBDRUWAO-NSHDSACASA-N 441.278 1.413 0 40 IDAB O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)NC(=O)Nc1ccc2c(c1)OCCO2 27142043 YMCCWRIYLGNOJM-INIZCTEOSA-N 428.445 1.480 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1 28559361 WAJQTASGCCWIIU-UHFFFAOYSA-N 430.534 1.808 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@](C)(CC)N2CCOCC2)ccc1OC 29243453 ZJNYWFACRWUWDL-NRFANRHFSA-N 441.594 1.956 0 40 IDAB COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc(C(N)=O)nn3)cc2)c(OC)c1OC 32926646 RUXZATPVKBQRAJ-LBPRGKRZSA-N 425.445 1.883 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C/c2ccccc2OC)C1=O)[C@@H]1CCS(=O)(=O)C1 33548209 NBLPYLGNOWTTPP-DWKHYPNZSA-N 438.527 1.767 0 40 IDAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2ccc(-n3cncn3)nc2)CC1 48326524 TYBRKYCIVVYTMO-OAHLLOKOSA-N 438.467 1.978 0 40 IDAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(O)CC3)cc2c1 57589783 PLVFOISKYFMBNU-GHTZIAJQSA-N 438.532 1.857 0 40 IDAB Cc1nonc1CN1CCN([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 58158305 VJCBMBGMTCAQPT-LBPRGKRZSA-N 440.426 1.056 0 40 IDAB CCCCNC(=O)Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O 67225584 WPWYBARDJAZZRY-UHFFFAOYSA-N 432.550 1.264 0 40 IDAB CCOC(=O)N1CCC(NC(=O)Cn2ccn(-c3ccc(OCC)cc3)c(=O)c2=O)CC1 67256196 HPBCHWMLHLLWOW-UHFFFAOYSA-N 444.488 1.135 0 40 IDAB O=C(CCC1=NS(=O)(=O)c2ccccc2N1)NCCN1CCN(c2ccccc2)CC1 67349751 ZFLBIMFTWLMFTM-UHFFFAOYSA-N 441.557 1.918 0 40 IDAB C[C@H](CCc1ccco1)NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326232 UDSWBOFLYZHAHB-IVZQSRNASA-N 425.489 1.676 0 40 IDAB COC(=O)c1nc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc1CC(C)C 72403006 HHEZZTBQVHTNHI-UHFFFAOYSA-N 437.499 1.911 0 40 IDAB C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 79060988 ILLGNPXGINGWKR-BZUAXINKSA-N 429.608 1.772 0 40 IDAB O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95474112 NKUGXECALUMJCJ-CYBMUJFWSA-N 430.461 1.645 0 40 IDAB CC[C@@H](C)c1c(O)nc(SCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)[nH]c1=O 100764110 QGOFAJNZBOKJRV-RDBSUJKOSA-N 430.530 1.889 0 40 IDAB biogenic CCCn1c(C(=O)N2CC[C@@H](Oc3cc(C)oc(=O)c3)C2)cc2c(=O)n(C)c(=O)n(C)c21 206965501 WRMYWAKKCZWOKE-CQSZACIVSA-N 442.472 1.004 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C(=O)N1CCOCC1 223783265 PBQVJZRGLKMVCR-UHFFFAOYSA-N 447.513 1.670 0 40 IDAB O=C(NC1CC1)[C@H]1[C@@H]2C(=O)N(C3CCCC3)[C@@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 245230510 TUORRBUWABAHCA-PERZLDATSA-N 427.545 1.807 0 40 IDAB CCn1c(CCCC(=O)N2C[C@@H](O)[C@H](n3cnc4c(N)ncnc43)C2)nc2ccccc21 257233596 GPVOYXKINXJPCS-IAGOWNOFSA-N 434.504 1.545 0 40 IDAB CC(=O)Nc1ccc(NC(=O)CN2CCO[C@](C)(C(=O)N3CCOCC3)C2)c(Cl)c1 257273934 NIVOBBJACZPJKH-FQEVSTJZSA-N 438.912 1.187 0 40 IDAB CN1CCN(C(=O)CCc2cc(O)no2)C[C@@H]1C(=O)Nc1cccc(N2CCCC2)c1 257315517 VBTQHFKUQIZJNO-LJQANCHMSA-N 427.505 1.694 0 40 IDAB O=S1(=O)C[C@H](O)[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)C1 575424650 VATLUVPAMMUSQP-HOTGVXAUSA-N 446.344 1.802 0 40 IDAB CC(C)CC(=O)N1CCCN(C(=O)c2ccc(=O)n(C)n2)CCNCc2ccccc21 643557126 HHSGPAJYJFYMKN-UHFFFAOYSA-N 425.533 1.795 0 40 IDAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(SCC(N)=O)n2Cc1ccccc1 797348 NNQIBCOYJZWINU-UHFFFAOYSA-N 435.509 1.571 0 40 IDAB CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@]12C(=O)N(CC(=O)OC)c1ccccc12 989144 PEGFJDKLWROZEH-QFIPXVFZSA-N 444.440 1.045 0 40 IDAB biogenic Cc1ccc(-n2nnnc2SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 3348087 SQSOGMBZQZZZSD-FQEVSTJZSA-N 437.485 1.561 0 40 IDAB O=C(COC(=O)CNC1=NS(=O)(=O)c2ccccc21)N[C@@H]1CCCc2ccccc21 3425938 ZBMYMJUSFVRKIO-QGZVFWFLSA-N 427.482 1.462 0 40 IDAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 9119493 QVUSIGALOFBJSP-UHFFFAOYSA-N 440.456 1.788 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 9806183 HRPWDFRNWDNAHM-SFHVURJKSA-N 433.505 1.720 0 40 IDAB CCOCCCN1C[C@H](C(=O)N2[C@H]3CC[C@@H]2Cn2c(nc4ccccc4c2=O)C3)CC1=O 12086312 PZSBIVAHCRRGMO-FGTMMUONSA-N 438.528 1.587 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 13012155 BVAJUTCVLALLKE-CYBMUJFWSA-N 448.501 1.237 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1cccc(Cl)c1 13640130 UZFVUFJOAJVKQP-IAGOWNOFSA-N 442.907 1.658 0 40 IDAB CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 13692008 GPLCAEPYNLSMQM-OLZOCXBDSA-N 432.365 1.612 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccco1 15560025 WHKKQLOAOJTMDJ-UHFFFAOYSA-N 431.923 1.648 0 40 IDAB CNc1nc([C@H]2CCCCN2C(=O)c2ccc(C)n(C)c2=O)nc2c1CCN(C(C)=O)C2 19708673 QMDUKLPICCPDGY-LJQANCHMSA-N 438.532 1.797 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)NCc1cccnc1 22228481 LMHUPGVIDJUUPY-UHFFFAOYSA-N 444.557 1.668 0 40 IDAB NC(=O)CCn1c(SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)nnc1C1CC1 22407681 LEJZVFYGERVAJY-UHFFFAOYSA-N 428.518 1.654 0 40 IDAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23701575 PFSPMYLXKKBRRH-UHFFFAOYSA-N 437.525 1.841 0 40 IDAB Cc1ccccc1NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21 27915146 FSSSANYIGYEISW-UHFFFAOYSA-N 431.470 1.563 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)NCCNC(=O)c2ccc(C)c(F)c2)cc1 28000832 PARJCGCJFIEITN-FMIVXFBMSA-N 433.505 1.879 0 40 IDAB Cn1cnc2c1c(=O)n(CCCSc1nncn1CCc1cccs1)c(=O)n2C 29988559 AHTOJJPXRQJGHK-UHFFFAOYSA-N 431.547 1.512 0 40 IDAB CCCn1c(Cn2nnn(-c3cccs3)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 31792945 FBLKGSQKNWOBCG-UHFFFAOYSA-N 447.546 1.549 0 40 IDAB COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 32903751 AIHLUCKUPCCLER-HXUWFJFHSA-N 447.557 1.242 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(N)=O)c(OC)c3)C2=O)o1 34721381 QOMMQPMCHZKKAT-QPEQYQDCSA-N 429.385 1.032 0 40 IDAB Cn1nc(CC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c2ccccc2c1=O 35354841 FINSIKCKPADHJA-UHFFFAOYSA-N 425.533 1.023 0 40 IDAB O=CN1CCN([C@H](C(=O)O)c2cn(CCC(=O)O)c3cc(Br)ccc23)CC1 36353704 XQAKIYUWDNYGKN-KRWDZBQOSA-N 438.278 1.778 0 40 IDAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)n1 36364810 PLIYQMQMRFXRHN-MRXNPFEDSA-N 444.513 1.403 0 40 IDAB COC(=O)c1cc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc(C(=O)OC)c1 40050974 RNTFCRHNWVSWDR-UHFFFAOYSA-N 438.396 1.245 0 40 IDAB COc1ccccc1-c1ccc(=O)n(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)n1 40287153 DXPIBZRNIUARGY-INIZCTEOSA-N 433.530 1.591 0 40 IDAB CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 95444505 FXTMTAYSZVFKAG-UHFFFAOYSA-N 443.522 1.655 0 40 IDAB C[C@H](C(=O)NCCCN1CCOCC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220199536 QUHFILVNZMTHJZ-CQSZACIVSA-N 437.484 1.698 0 40 IDAB COc1cc(NC(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc(OC)c1 224331044 ZAEVFWRJKDVCHA-UHFFFAOYSA-N 428.493 1.685 0 40 IDAB Cc1noc(C)c1NC(=O)N[C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H]1O 225504933 LHWUFFVIGVDFPJ-QVDUIBETSA-N 439.490 1.006 0 40 IDAB biogenic,in-vitro NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CCc4sccc4C3)CC2)cc1 225690231 DUCMFZVOFRJBHK-UHFFFAOYSA-N 441.600 1.607 0 40 IDAB CNc1nc([C@H]2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc2c1CCN(C)C2 257325469 WTAQYIWDRBJGOP-SFHVURJKSA-N 436.560 1.973 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(OC)c1 408651286 ARMRIFJBYFUKPU-JDNLJYLZSA-N 428.441 1.381 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408655014 HDZPWFAOMLDXPD-XXJNHTBESA-N 425.441 1.322 0 40 IDAB COc1c2c(c(CNC(=O)c3cccc(NS(C)(=O)=O)c3)c3c1OCO3)CCN(C)C2 524730278 CZTRELDZQNPYQP-UHFFFAOYSA-N 447.513 1.713 0 40 IDAB biogenic CCCCN(CC(=O)CN(CCCC)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 575420577 CGRLUQHATSOVDH-QZTJIDSGSA-N 436.640 1.134 0 40 IDAB CC[C@@H](C(=O)NCCOC)n1nc(-c2nc(-c3ccc(OC)c(F)c3)no2)ccc1=O 888106892 CIWZNAVXQXQRGF-HNNXBMFYSA-N 431.424 1.822 0 40 IDAB Cc1cnc(Nc2cccc([C@H]3CN(S(=O)(=O)N4CCOCC4)CCO3)n2)s1 2037834619 VKOOBPATCUHWKK-OAHLLOKOSA-N 425.536 1.540 0 40 IDAB COc1cccc(CCN2C[C@H]3CCN(S(=O)(=O)C4CC4)CC[C@H]3S2(=O)=O)c1 2055714570 IJQVFAXKLVBKEO-VQIMIIECSA-N 428.576 1.456 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)CN3CCC(C)CC3)C2)cnn1C 2732583 LGWUUUPUHWVZJA-AEFFLSMTSA-N 425.599 1.366 0 40 IDAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc2c(c1)OCO2 3314556 GHMSORMSULXWHX-UHFFFAOYSA-N 446.481 1.673 0 40 IDAB O=C(COc1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 3477122 RYJDOSORDXMJJC-UHFFFAOYSA-N 428.470 1.649 0 40 IDAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)NC(N)=O 3521188 HCVAGCXIJUALAI-CYBMUJFWSA-N 431.470 1.174 0 40 IDAB C=CC(=O)OCCOCC(CC)(COCCOC(=O)C=C)COCCOC(=O)C=C 4975661 MTPIZGPBYCHTGQ-UHFFFAOYSA-N 428.478 1.620 0 40 IDAB CC1=NN(CCN2CCCCC2)c2nc3c(c(=O)n(Cc4ccccc4C)c(=O)n3C)n2C1 8706202 YKAGEGKTTGJFMZ-UHFFFAOYSA-N 449.559 1.935 0 40 IDAB O=S(=O)(c1ccc(Sc2nnc(NC[C@H]3CCCO3)s2)nc1)N1CCOCC1 9208008 ANKKGIZUOYRFTE-GFCCVEGCSA-N 443.576 1.696 0 40 IDAB O=C(NCc1nnc2ccccn12)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 9460117 ARBMLDDCQIXRNK-AWEZNQCLSA-N 449.920 1.770 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1cccc(O)c1 9530739 BZPFGGMIKPJCAH-AWEZNQCLSA-N 435.477 1.687 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccccc2)ccc1F 9577821 QQXANSBPTFGHPR-IBGZPJMESA-N 449.504 1.304 0 40 IDAB C[C@@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9661906 GZPFXPLEYUWGAP-CYBMUJFWSA-N 444.469 1.387 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2)c1 9807090 OOFJSXQPSRMIAX-LJQANCHMSA-N 429.542 1.889 0 40 IDAB O=C(NCc1ccco1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 10219938 VCIOIFWNWQGWHU-UHFFFAOYSA-N 434.861 1.802 0 40 IDAB Cc1cc(N2CCN(C(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)CC2)nc(C(C)C)n1 11077673 ZXJSLZVAIBCPNJ-UHFFFAOYSA-N 436.516 1.651 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NCCc3ccccc3)nc(C3CC3)nc2n(C)c1=O 11758114 DSDXGVFEEDBICH-UHFFFAOYSA-N 425.514 1.356 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 11904928 RUYYJPHDRHATEO-CQSZACIVSA-N 438.527 1.529 0 40 IDAB COc1cccc(CC(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)c1 12129592 WSEPYSMTTNNCGO-OAHLLOKOSA-N 429.502 1.485 0 40 IDAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1=O 12616156 ZAAFHSCGNQMVOM-AWEZNQCLSA-N 434.924 1.124 0 40 IDAB COc1ccccc1OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 12686158 VZLWMHDGQBEMIV-UHFFFAOYSA-N 436.486 1.742 0 40 IDAB Cn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c2ccccc21 12780232 FVWNXITXWGSCMJ-UHFFFAOYSA-N 432.477 1.012 0 40 IDAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(CN2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 12818857 WSUHYJQBKAOVNX-MAUKXSAKSA-N 436.530 1.390 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Cn2nnc3ccccc3c2=O)cc1 12922076 NOFHREWBPPZNQI-OAHLLOKOSA-N 443.529 1.699 0 40 IDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 13108026 UTDJQGKRRYHDTD-QHCPKHFHSA-N 437.452 1.994 0 40 IDAB CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnn1CC)CC2 19499866 CGCSXWQCULJROU-PBHICJAKSA-N 426.521 1.894 0 40 IDAB NC(=O)C1CCN(C(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 26113211 YWBPNYHXCLWTIO-FQEVSTJZSA-N 443.525 1.508 0 40 IDAB Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4ccn(C)c(=O)c4)CC3)cccc2c1 33198112 UFBWHENATLQAIF-UHFFFAOYSA-N 426.498 1.389 0 40 IDAB CCN(CC)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 36774949 PYDRJJVBLOVSPC-UHFFFAOYSA-N 425.551 1.952 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 40090137 WEDPIXMOZGWYAB-MRXNPFEDSA-N 438.550 1.018 0 40 IDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 40129121 LNTXFGJUOFJFMZ-SFHVURJKSA-N 432.481 1.793 0 40 IDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 48333524 XWXQUANXKUYATA-UHFFFAOYSA-N 438.550 1.752 0 40 IDAB CCc1ccc2c(c1)s/c(=N/C(=O)C1CCN(S(C)(=O)=O)CC1)n2CC(=O)OC 101344945 GURXZFVIZYEPFE-FMQUCBEESA-N 439.559 1.537 0 40 IDAB Cc1ccc2c(c1)[C@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 105380435 FJRWKXNZDUURGR-AEYPDILWSA-N 449.463 1.025 0 40 IDAB biogenic O=C(O)COCCOCCOCCOCCOCCOCCOCc1ccccc1 219418049 KMJJIYPZZKHCJP-UHFFFAOYSA-N 430.494 1.387 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1 224332689 GQMCWHOLSMNONZ-UHFFFAOYSA-N 433.534 1.223 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c1 225142945 JBAVKUSTBGLFAQ-UHFFFAOYSA-N 448.497 1.969 0 40 IDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225543310 VKRXAGLAOLEUGX-UHFFFAOYSA-N 448.462 1.770 0 40 IDAB Cn1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCC(O)CC3)CC2)cn1 257277763 NZGJZNANGPUVHI-FIXSFTCYSA-N 426.561 1.848 0 40 IDAB CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccc(OCCN(C)C)c3)C2)ncn1 257328132 XEHPRCPAJALFBE-QHCPKHFHSA-N 442.564 1.562 0 40 IDAB CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)CN(C(=O)c3ccoc3)CC2)C1 306134185 NFIAPSJGIYSCDT-JOCHJYFZSA-N 425.489 1.500 0 40 IDAB Cn1cc(-c2cncc(CNS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)c2)cn1 575617741 ZUXUNOUOXALZJA-UHFFFAOYSA-N 425.470 1.614 0 40 IDAB CN(C1CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1)S(=O)(=O)c1cnn(C)c1 1775970330 BZLPLFQBGLKVLM-UHFFFAOYSA-N 442.480 1.173 0 40 IDAB NS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)cc1 1888864123 RZVGIIGEWHIUFH-KBPBESRZSA-N 440.447 1.956 0 40 IDAB Cc1ccncc1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243031 CUDXZPBUHIKTME-INIZCTEOSA-N 426.498 1.448 0 40 IDAB CC(=O)OC[C@H]1O[C@](COC(C)=O)(OCc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4721292 OHRHZBQVAOMZNX-CGXNFDGLSA-N 438.429 1.288 0 40 IDAB CCc1cccc(OC[C@@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 7425641 MJJPTUMWWWXGOI-INIZCTEOSA-N 429.521 1.884 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)CC1 8560330 PDNNNWJQOJUFRV-UHFFFAOYSA-N 425.507 1.394 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3C[C@H](O)CN3C(=O)c3ccccc32)cc1 8764698 DESZYDYJLPTHRE-LPHOPBHVSA-N 437.452 1.424 0 40 IDAB biogenic N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)NCC(=O)Nc2ccc(F)cc2)CC1 9130215 KATXCLKCBHPKOC-FQEVSTJZSA-N 426.492 1.689 0 40 IDAB O=C(COC(=O)CSc1ncnc2sccc12)NCCN1C(=O)CSC1=O 9634397 NTFZDGIVTHQNTN-UHFFFAOYSA-N 426.501 1.138 0 40 IDAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3OC)c2N)c(OC)c1 9677909 CWAODYYIIGKUTD-UHFFFAOYSA-N 426.433 1.777 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9915981 IVEQLVWFLGIXTO-UHFFFAOYSA-N 437.424 1.406 0 40 IDAB COc1ccc(NC(=O)c2ccc3nccnc3c2)cc1S(=O)(=O)N1CCOCC1 9952517 XYDPMSOQAWOCNZ-UHFFFAOYSA-N 428.470 1.912 0 40 IDAB CN(c1ccc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1)S(C)(=O)=O 12567094 DDEARYRUQWVJOM-NRFANRHFSA-N 427.482 1.659 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cc1 13095768 LIXXTAWQEDYPGM-UHFFFAOYSA-N 445.541 1.973 0 40 IDAB COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 15440153 ZKBSMPBAENZVLU-UHFFFAOYSA-N 434.514 1.997 0 40 IDAB CCc1cccc2c1NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 16033016 XJBNWBJVVISKKM-NRGSMNHXSA-N 446.507 1.088 0 40 IDAB biogenic CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)C[C@@H](C)n4nc(C)cc4C)C3)[nH]c2=O)C1 19572691 ZDQPUFXOMXVUQJ-NVXWUHKLSA-N 426.521 1.455 0 40 IDAB O=C(c1ccno1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699882 VXZFVVCABZMAMB-GOSISDBHSA-N 437.500 1.866 0 40 IDAB Cn1cc(C(=O)N2CCOCC2)c(CC2CCN(S(=O)(=O)c3ccccc3)CC2)n1 19758562 LMEVYWSJBDSEEX-UHFFFAOYSA-N 432.546 1.536 0 40 IDAB CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1 23710040 LKZDEWWLUOJJRS-CQSZACIVSA-N 437.381 1.708 0 40 IDAB CNS(=O)(=O)Cc1ccc(CNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)cc1 25403645 LVVDIAZGVLLINS-UHFFFAOYSA-N 448.574 1.371 0 40 IDAB CSCC[C@@H](NC(=O)C1CC1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 30672945 SYDLHICQTRSXBH-GOSISDBHSA-N 436.553 1.556 0 40 IDAB Cc1cccc2c1NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 35374785 DOUIWKYWWJPRLI-LHADNUHPSA-N 439.899 1.950 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)c1 36408690 UUUMJZOMMSLGIZ-UHFFFAOYSA-N 445.541 1.655 0 40 IDAB O=C(CCS(=O)(=O)C1CCCC1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 48304384 KFEQZXYLDMQSCX-UHFFFAOYSA-N 446.566 1.843 0 40 IDAB CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(N3CCNC3=O)CC2)c1 59784765 VOWIKRXYOKIUIL-UHFFFAOYSA-N 442.969 1.999 0 40 IDAB CCOC(=O)C1CCN(CC2=C(C(=O)OC)[C@@H](c3cccc(OC)c3)NC(=O)N2)CC1 67287809 QDDSTWUPBOBQLJ-LJQANCHMSA-N 431.489 1.751 0 40 IDAB COc1ccc2c(C)c(CCC(=O)N[C@H]3CCC(=O)N[C@H]3c3cnn(C)c3)c(=O)oc2c1 79021513 GANQIUFPLVFTAB-AVRDEDQJSA-N 438.484 1.912 0 40 IDAB CCCN(CC(=O)OCC)C(=O)CNC(=O)c1ccccc1I 84755145 VEWSTYWRNBLFST-UHFFFAOYSA-N 432.258 1.823 0 40 IDAB Cc1cc(NC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)n([C@H]2CCS(=O)(=O)C2)n1 95478704 MSIKRRUCNPSILH-AWEZNQCLSA-N 433.465 1.347 0 40 IDAB O=C(CNC(c1ccccc1)c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 95975602 GLBHNJDVPWMUID-OAQYLSRUSA-N 427.570 1.697 0 40 IDAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3ccc(OC)c(OC)c3)C2=O)cc1 96221188 CWLSJVYRWQAWMY-KRWDZBQOSA-N 427.457 1.839 0 40 IDAB biogenic Cn1c(=O)c2c(ncn2CC(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)n(C)c1=O 219321909 WIOFOCGWGUTNTH-OAHLLOKOSA-N 449.483 1.419 0 40 IDAB C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222893487 ZDDJIEXDWKWDRR-MRXNPFEDSA-N 435.521 1.751 0 40 IDAB CCn1c(CCCC(=O)N[C@@H]2CCC[C@@H](N3CCNC(=O)C3)[C@@H]2O)nc2ccccc21 257217149 CXSHXXADQFKNQD-LYHRCORUSA-N 427.549 1.209 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)Cc2ccccc2)cc1 408624910 VSBCBQWGPNAFAC-UHFFFAOYSA-N 447.557 1.335 0 40 IDAB O=C1[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccc(I)cc1 409275692 LJKAEFOVLAMOEG-KOFHJDLBSA-N 439.205 1.477 0 40 IDAB CS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 568466480 HMEBPILJTDJEBP-FUHWJXTLSA-N 428.576 1.378 0 40 IDAB CCc1cnc(OC2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)nc1 1775972096 ATPUXOULGGTBNQ-UHFFFAOYSA-N 444.513 1.925 0 40 IDAB CS(=O)(=O)c1ccc(CCC(=O)NCC2(N3CCSCC3)CCOCC2)cc1 1888856671 UJSIBJFCWKYEFA-UHFFFAOYSA-N 426.604 1.737 0 40 IDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 922591 FIVJHOCXCFTFFP-UHFFFAOYSA-N 430.548 1.435 0 40 IDAB COc1ccc2c(C)c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1 9058631 IWBVSROIZGTVEL-UHFFFAOYSA-N 430.482 1.659 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)N(C)Cc1ccc(C)o1)c(=O)n2Cc1ccccc1 9367161 PGCJPONBUJQLJX-UHFFFAOYSA-N 435.484 1.988 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 9377491 XYCDJDAUQCQOEC-GOSISDBHSA-N 449.504 1.994 0 40 IDAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 9609432 PGFDRTVEISPCCL-VVVCHXIZSA-N 428.488 1.401 0 40 IDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 9690823 PDKMFOFXBKIMFD-KRWDZBQOSA-N 428.474 1.372 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)o2)nn1C 12443156 BCXFYVJQKHODDG-HNNXBMFYSA-N 434.453 1.709 0 40 IDAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(OC(F)F)cc1 12981916 JMRMOIIMZKIGOT-IUODEOHRSA-N 430.429 1.988 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)CC2)cc1 13063552 WZHTWTLEZHFJTL-UWJYYQICSA-N 434.562 1.760 0 40 IDAB CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccccc3CN3CCOCC3)c(=O)n1C2 20503631 NIDGYFVVLGDWQS-PKOBYXMFSA-N 443.569 1.726 0 40 IDAB biogenic,in-vitro CC(C)CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 21137600 YFYRPWFAHIHHBH-UHFFFAOYSA-N 440.518 1.174 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)CC1 22246314 GMQKCRCXKLACMX-HXUWFJFHSA-N 445.541 1.877 0 40 IDAB CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc4c(c2)OCO4)CC(=O)N3)CC1 22610213 FJMLCEYXNVECFI-CYBMUJFWSA-N 425.445 1.799 0 40 IDAB C[C@@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 24756762 PGOSKEWYBNVETC-IUODEOHRSA-N 444.351 1.054 0 40 IDAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cccc(-n4cnnn4)c3)n2)cc1 42379577 QQQINEXRFKFXKK-UHFFFAOYSA-N 431.456 1.715 0 40 IDAB CC(=O)NCC1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 48302400 OIYJKMYIZBAZKP-IYBDPMFKSA-N 437.562 1.473 0 40 IDAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 67285955 ZFBVVBZKOFRBAK-GOSISDBHSA-N 437.443 1.975 0 40 IDAB COC(=O)[C@@H](CNC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)Cc1ccc(O)cc1 95963141 DWOFOFSDMONIKW-IAGOWNOFSA-N 439.468 1.751 0 40 IDAB CCOc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)cc1 98213193 RIEWGNJZTOULFF-UHFFFAOYSA-N 439.447 1.877 0 40 IDAB C[C@H](NC(=O)Cn1c(C(F)(F)F)c(CCO)cc(C(N)=O)c1=O)[C@H]1C[C@H]2CC[C@H]1C2 104878195 XUXHZPNLZNTYIA-ZJQBRPOHSA-N 429.439 1.442 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222814197 ULBMXCDRHKGNOY-ZYSHUDEJSA-N 427.501 1.500 0 40 IDAB COC(=O)COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1Cl 226686321 DHCRWSBVDINBNA-UHFFFAOYSA-N 432.926 1.817 0 40 IDAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCCN1CCCC1=O)[C@@]1(C2)NC(=O)c2cccnc2N1 253595697 HOAPDDJDVGCSKP-UPTUURPHSA-N 425.533 1.888 0 40 IDAB CS(=O)(=O)N1CCC[C@@]12CCN(CC(=O)Nc1ccc(OC(F)F)cc1)C[C@@H]2O 257300344 RTYDWZGGMXPKMW-YJBOKZPZSA-N 433.477 1.087 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1 553414679 HNRRPOQGRUHDJI-KRWDZBQOSA-N 437.949 1.838 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1 784183 JVARLEMZUBQQBI-UHFFFAOYSA-N 428.507 1.272 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCCSc1nc2ccccc2o1 9156881 YBURMHCVWQWJFL-UHFFFAOYSA-N 442.501 1.584 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c(OC)c1 11858292 BOEOJDCDOYAEQA-UHFFFAOYSA-N 440.499 1.880 0 40 IDAB Cc1nc2oc3c(=O)n(CC(=O)NC[C@@H]4CCCO4)cnc3c2c2c1COC(C)(C)C2 12324328 SZZLDSWGBXCEBX-ZDUSSCGKSA-N 426.473 1.993 0 40 IDAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N3)CC1 12390245 HVOUXQYAZLYRSU-CYBMUJFWSA-N 444.879 1.190 0 40 IDAB O=C(c1ccco1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1 12569702 KERNDHKVOXXXHY-UHFFFAOYSA-N 437.543 1.726 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 12772094 OUHHAZOZDFMZNK-UONOGXRCSA-N 430.457 1.405 0 40 IDAB Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 13164837 CILFDNYXBGUAEY-FQEVSTJZSA-N 434.537 1.834 0 40 IDAB COc1ccc(S(=O)(=O)N(C)Cc2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)cc1C 19700998 QPDMUDXZBCAQAQ-HNNXBMFYSA-N 447.561 1.626 0 40 IDAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CCO1 19702821 DRDPXEKCSLJIDC-AWEZNQCLSA-N 435.531 1.494 0 40 IDAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(Cc4ccccc4)CC3)N2)cc1 19928966 JWLWLDDLBLYHFM-OAQYLSRUSA-N 433.512 1.890 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)NCc1ccncc1 22228498 ISCMXQZNCIDROL-UHFFFAOYSA-N 444.557 1.668 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc(=O)n3c4c(sc3n2)CCCC4)c1 24767720 ULLGCTYPZSKTHJ-UHFFFAOYSA-N 448.570 1.875 0 40 IDAB CS(=O)(=O)N1CCCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 24780692 BQURMQPKZUUSHC-UHFFFAOYSA-N 429.489 1.311 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3cn4ccccc4n3)cc2)CC1 25184376 VISMMOLYEVPUED-UHFFFAOYSA-N 441.513 1.117 0 40 IDAB CC1CCN(Cc2ccc(CNC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1 26380900 SBHQPZZOVMGUFC-UHFFFAOYSA-N 437.610 1.552 0 40 IDAB CN(Cc1ccccc1Br)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 32826463 VWYYQWVYEJEGEU-ZIAGYGMSSA-N 429.336 1.443 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNC(=O)c3ccco3)CC2)cc1C 32908349 HPYXCTTTZPBZCP-UHFFFAOYSA-N 433.530 1.843 0 40 IDAB CCN1CCN(c2ccccc2NC(=O)C(=O)NC[C@H](O)c2ccc(F)c(F)c2)CC1 58141143 ZEZHLSZXCKUJDB-FQEVSTJZSA-N 432.471 1.895 0 40 IDAB COc1cc2ncn(CCCC(=O)N3CCC[C@@H](NC(=O)C(C)C)C3)c(=O)c2cc1OC 60344850 DFBXXTKPYYDJPB-MRXNPFEDSA-N 444.532 1.957 0 40 IDAB CCCNC(=O)CN1CCN(c2ncc(C(=O)Nc3ccc(OCC)cc3)c(N)n2)CC1 71772240 OMMLWRGCWXBBDP-UHFFFAOYSA-N 441.536 1.358 0 40 IDAB Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(C(=O)c3ccc(=O)[nH]c3)CC1)O2 72394385 GOMYHQCWTJAUKH-UHFFFAOYSA-N 431.514 1.512 0 40 IDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 101514432 KNRNUHCLCXISSR-IJEWVQPXSA-N 432.539 1.214 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 105346768 OJBPQRSSQGMMPR-XYTYDFFKSA-N 437.471 1.744 0 40 IDAB O=C1N[C@H](CC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)c2ccccc21 257249740 JJPFMQRLGPHZNV-DNVCBOLYSA-N 437.500 1.463 0 40 IDAB CC(=O)NCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)C3)C1 257312932 UQGQSELJNORXCY-IBGZPJMESA-N 435.528 1.759 0 40 IDAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1 408627706 OYDGAHRURFEWLC-UHFFFAOYSA-N 447.557 1.972 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)cc1OC 409116527 MENTUDPELMCPCY-UHFFFAOYSA-N 437.493 1.470 0 40 IDAB Cc1n[nH]cc1CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 515883659 IYYXNFNQHIEJEP-UHFFFAOYSA-N 431.518 1.098 0 40 IDAB Cn1cnc(-c2cccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)c2)n1 541251728 KYCWMAONEZVCGR-UHFFFAOYSA-N 425.514 1.965 0 40 IDAB Cn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)Cc5cc(F)cc(F)c5)C[C@H]4C3)ncnc21 1888930368 XSGKQTMPQXGWNE-ZIAGYGMSSA-N 434.472 1.540 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCO3)cc1 931241 JGKUKEDNGGKMPB-UHFFFAOYSA-N 440.543 1.967 0 40 IDAB CC(C)CNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O 3593220 ILZRNSFCHVOJTQ-QGZVFWFLSA-N 425.283 1.698 0 40 IDAB O=C(NCC(=O)N1CCC2(CC1)NCCc1[nH]cnc12)c1cccc(Br)c1 8764360 PAKXOKBZCKWNBP-UHFFFAOYSA-N 432.322 1.566 0 40 IDAB biogenic COC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C(N)=O)C1 9325357 FOXHQJLGJUHGAY-UHFFFAOYSA-N 437.499 1.627 0 40 IDAB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NC[C@H]1CCCO1 9335211 JUXHZLFORPWHHB-GOSISDBHSA-N 432.498 1.617 0 40 IDAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O 9532765 UULHTPCWGYDSIG-JOCHJYFZSA-N 436.424 1.210 0 40 IDAB COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 9632034 ZUUVIRYNJTYGLD-UHFFFAOYSA-N 448.497 1.622 0 40 IDAB CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3)[C@H]1CCS(=O)(=O)C1 11125005 RYYBIUVQKSAPRA-NSHDSACASA-N 441.600 1.611 0 40 IDAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2cnccn2)CC1 12133370 LYKHCAJZMSZQDZ-UHFFFAOYSA-N 430.534 1.680 0 40 IDAB CC(C)C[C@@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)NCC(=O)O 12296162 DAIGAFPLDLTFCH-HZPDHXFCSA-N 433.461 1.046 0 40 IDAB biogenic COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 12390485 JISHWYZOAATIMF-MRXNPFEDSA-N 438.527 1.091 0 40 IDAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCCCC1 12945888 HJZLKAPMWQYULF-OAHLLOKOSA-N 440.518 1.461 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 15957188 DUCJOSYWMDPMOJ-VRTBIJNHSA-N 449.507 1.613 0 40 IDAB O=C(c1ccccc1F)N1CCc2c(nc([C@H]3CCN(C(=O)[C@H]4CCCO4)C3)[nH]c2=O)C1 19347664 JVWSYLHVXFCQEY-IFXJQAMLSA-N 440.475 1.602 0 40 IDAB O=C1NC(=O)[C@@H](CCC(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4)cc3)C2)N1 19374177 YFNZCYBHAHSIHN-VQTJNVASSA-N 434.496 1.459 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCN(C(=O)Cc4ccc(C)cc4)C3)[nH]c(=O)c2C1 19520427 ZSKHMXHMUYCHML-QGZVFWFLSA-N 444.557 1.345 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN3C(=O)c3cnccn3)nc2n(C)c1=O 19743622 KZWAHCAFYOSINK-CYBMUJFWSA-N 434.378 1.418 0 40 IDAB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1 22766436 VUIFUICDCZLKHT-LJQANCHMSA-N 429.546 1.750 0 40 IDAB CCOC(=O)CNC(=O)Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O 22767951 QNOATYVIQZKIDI-UHFFFAOYSA-N 429.864 1.792 0 40 IDAB CCCNC(=O)CN1CCN([C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 22921115 LXRQFUPFAJZPIB-QFIPXVFZSA-N 444.601 1.850 0 40 IDAB CN1[C@@H](CCC(=O)NCc2cccs2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1csnn1 22923134 TZRHOVVJRHFJFJ-LESCRADOSA-N 434.591 1.069 0 40 IDAB biogenic,in-vitro CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC(F)F)cc1)n2CCN1CCOCC1 25436998 LTJMUISIAVHNBX-UHFFFAOYSA-N 449.458 1.897 0 40 IDAB O=C(/C=C/C(=O)OCc1cc(=O)n2ccsc2n1)OCc1cc(=O)n2ccsc2n1 32666197 CCUSZPNNGMUHCV-OWOJBTEDSA-N 444.450 1.168 0 40 IDAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 32927515 GBCWIIKMGBOICL-MRXNPFEDSA-N 430.592 1.525 0 40 IDAB O=C(NC1CCCC1)[C@H]1N(Cc2ccccc2)C(=O)[C@H]2[C@@H](C(=O)NC3CC3)[C@H]3C=C[C@]21O3 33939986 ZWWNKLNYFSHSJN-JFHULYJISA-N 435.524 1.675 0 40 IDAB COc1cccc(CNC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 72326336 SWPJKAFHPFTYSH-WNSKOXEYSA-N 437.500 1.659 0 40 IDAB COCCN1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)c3ccc(C)nc3)n2)CC1=O 72370123 BCYDQQFWCLENMW-QGZVFWFLSA-N 426.521 1.481 0 40 IDAB CNC(=O)c1cccc(-c2noc(C3CN(CC(=O)Nc4ccc5c(c4)OCO5)C3)n2)c1 77191182 IDANRKHKDQLJKM-UHFFFAOYSA-N 435.440 1.863 0 40 IDAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1sccc1C(N)=O)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 103125805 JHQJSMXNCJJRPE-YDHLFZDLSA-N 447.513 1.695 0 40 IDAB COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)c2ccccc2O1 222814629 PULISPJYJHSJGL-LJQANCHMSA-N 448.497 1.591 0 40 IDAB CC(C)c1ncnc(N(C)[C@H]2CCCN(C(=O)Cn3cnc4ncccc4c3=O)C2)c1F 1888897029 LADWOIMGLIUBPA-HNNXBMFYSA-N 439.495 1.971 0 40 IDAB COC(=O)C/C(C(=O)OC)=C1\CCCC2=C1N1CCC[C@@H]1[C@@]2(CC(=O)OC)C(=O)OC 5707294 OUCZHGRRXPWARN-KFGXCHFISA-N 435.473 1.658 0 40 IDAB CCCn1c(CSc2n[nH]c(N)n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9319324 MNLPKKHNMATDCO-UHFFFAOYSA-N 437.551 1.460 0 40 IDAB COc1ccc(CNC(=O)c2nnn(CC(=O)Nc3ccc(OC)cc3OC)c2N)cc1 9677924 MIMHXHXYMMFBGS-UHFFFAOYSA-N 440.460 1.455 0 40 IDAB CCCCN(C(=O)COC(=O)c1sc(C)nc1C)c1c(N)n(CCC)c(=O)[nH]c1=O 10143483 NVRRJQDKNBIHSU-UHFFFAOYSA-N 437.522 1.592 0 40 IDAB CCOC(=O)C[C@@H](Nc1nc(NCCO)nc(N2CCOCC2)n1)c1ccc(C)cc1 12413186 BTDJFUJSTKOPQR-QGZVFWFLSA-N 430.509 1.527 0 40 IDAB Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)nnc2N2CCCC2)cc1 12533409 WSHSTOVTSQEVQS-OAHLLOKOSA-N 435.575 1.571 0 40 IDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 12695947 GFJBCDPHKUXZPS-UHFFFAOYSA-N 448.589 1.744 0 40 IDAB Cn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccccc21 12778207 XMOPVUYNDIMZDM-UHFFFAOYSA-N 448.932 1.527 0 40 IDAB CCCc1ccc(S(=O)(=O)N2CCN(c3cn[nH]c(=O)c3Br)CC2)cc1 12868660 BIKAQMQZQUNPPS-UHFFFAOYSA-N 441.351 1.996 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nncn1C1CC1 14803147 DVILKKIQVNNELT-UHFFFAOYSA-N 437.547 1.673 0 40 IDAB CC(=O)N1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)c2C(N)=O)C1 15881845 UBRJUWGTJUFDTA-UHFFFAOYSA-N 435.527 1.472 0 40 IDAB CC(C)C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 16778954 HUYQJPSECCTJSR-IYYQDKMGSA-N 431.514 1.494 0 40 IDAB Cc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 19214983 TVFIIZXGDZMSRF-SFHVURJKSA-N 425.514 1.866 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@H](c3ccc(CNC(C)=O)cc3)[C@@H](C(N)=O)C2)cc1C 19698740 KEXBOGPXMOTUGG-UXHICEINSA-N 445.541 1.529 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@H]3CC34CCC4)CC1)C2=O 19699387 VYSYKBAKMLLYDD-QGZVFWFLSA-N 430.549 1.737 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)[C@H]3CC=CCC3)C1)C2=O 19699582 MIRWNVRBYQFKEK-ZWKOTPCHSA-N 430.549 1.903 0 40 IDAB COc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CCOCC3)c(=O)[nH]c2cc1OC 20084182 KEXMHZVASOTANL-GOSISDBHSA-N 428.493 1.708 0 40 IDAB Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 20518937 LNULZLURTCNQJL-UHFFFAOYSA-N 438.315 1.621 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@@H]1c1ccc(C)cc1 20674613 VMVDVPLTEPOZJT-RBUKOAKNSA-N 438.484 1.752 0 40 IDAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)n(N)c2=O)c(OC)c1 27642866 VFLASJSNOAAXGH-UHFFFAOYSA-N 441.513 1.999 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ncccn4)CC3)C2)s1 27801671 BYBHOQVDSDCZBQ-INIZCTEOSA-N 435.575 1.596 0 40 IDAB CCOC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)CCC(=O)O)ccc23)CC1 31819277 AYFGJSPDGPZFDG-LJQANCHMSA-N 446.460 1.871 0 40 IDAB CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 33325690 ZMQYQNBLKOPMEE-IBGZPJMESA-N 444.557 1.831 0 40 IDAB COc1ccc2cnn(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)c2c1OC 40266161 CWQBEZNZBXYQFX-UHFFFAOYSA-N 426.448 1.902 0 40 IDAB Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCC(=O)NC[C@H]2CCCO2)n1C 41078203 CSXNVQBRSUGSLB-OAHLLOKOSA-N 442.545 1.418 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)o1 48234898 LCORUDHJUDAGHG-UHFFFAOYSA-N 438.506 1.555 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1ccc(F)cc1 57142618 XGXHBSGMMNTCMK-UHFFFAOYSA-N 448.502 1.933 0 40 IDAB O=C(c1cnccn1)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2ccc(O)cc2)CC3)CC1 72398959 NEFGTQCCXRJGIY-UHFFFAOYSA-N 446.511 1.844 0 40 IDAB Cc1ccsc1[C@@H](O)CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 77200841 AYRSOFAAKXEPBY-INIZCTEOSA-N 430.573 1.998 0 40 IDAB COCCCn1c(=O)/c(=C/c2ccc(Cl)cc2)s/c1=C(\C#N)C(=O)N1CCCC1 89410424 KMYGBBGJKPUGFO-BXJGCXJASA-N 431.945 1.725 0 40 IDAB CC(C)(CNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)NS(C)(=O)=O 95955956 VSKOFHRFWCOURK-OAHLLOKOSA-N 439.481 1.880 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3cccc(OC)c3)no2)ccc1OC 223905481 SLLAFXDMZHSFGV-UHFFFAOYSA-N 446.485 1.982 0 40 IDAB Cc1cc(C)n(CCNC(=O)[C@@H]2CN(C(=O)c3cccc(N4CCCC4)c3)CCN2C)n1 257300761 RVOZQUZBUPTGLF-QFIPXVFZSA-N 438.576 1.673 0 40 IDAB CN([C@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1)S(C)(=O)=O 260805432 CWRYKMOEWOKWSE-IBGZPJMESA-N 431.514 1.730 0 40 IDAB COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 408619635 HYRAUZWWSLHQMS-UHFFFAOYSA-N 448.497 1.820 0 40 IDAB CC(=O)NCCNC(=O)CCC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1 525466080 KGBPSKVDXQMSFD-UHFFFAOYSA-N 444.557 1.527 0 40 IDAB O=S1(=O)CC[C@H](N(N[C@@H]2CCS(=O)(=O)C2)C(c2ccccc2)c2ccccc2)C1 575420693 JEMHLGVHLFYJPX-UXHICEINSA-N 434.583 1.957 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNC2CCN(Cc3ccccc3)CC2)C1 585290708 UMDTYBQBZJYJSO-PKTZIBPZSA-N 445.585 1.037 0 40 IDAB COc1cc(C(=O)N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)cc(OC)c1OC 1888897192 KDKJKWXXEIOAFO-OKILXGFUSA-N 432.452 1.864 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)CC1 2087151709 MPDAYXNOLOKHQH-ZBFHGGJFSA-N 446.495 1.809 0 40 IDAB COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)cc1OC 8755007 YAUJKMDVNQQZEK-UHFFFAOYSA-N 443.547 1.929 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)NCC(=O)Nc1ccc(F)cc1 9125289 WOMBFQUUTMCUNQ-NRFANRHFSA-N 426.404 1.110 0 40 IDAB CCOC(=O)c1ccc(-n2c(C)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1 9243097 MCJNMNODUMKPTD-UHFFFAOYSA-N 425.445 1.006 0 40 IDAB CN(C(=O)CCCn1c(=O)oc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9254387 MKJRBYWRPIQYBX-UHFFFAOYSA-N 449.467 1.518 0 40 IDAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1OC 9282806 VAEOVOPBZQFXKO-UHFFFAOYSA-N 448.497 1.622 0 40 IDAB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NC[C@H]3CCCO3)nc(C(C)(C)C)nc21 9284782 KVMSRRLPLCOERY-CYBMUJFWSA-N 449.577 1.585 0 40 IDAB COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)ccc1OCC(N)=O 9486159 FRRYQZDPBNEFAW-OAHLLOKOSA-N 436.472 1.934 0 40 IDAB CCCn1c(N)c(N(CCOC)C(=O)COc2ccc(F)cc2Cl)c(=O)[nH]c1=O 11028257 FDOFNYMMIMTAQQ-UHFFFAOYSA-N 428.848 1.380 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1cccs1 11906109 NBSVWZBOYCIOLT-UHFFFAOYSA-N 430.529 1.344 0 40 IDAB O=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1ccncc1 12115087 VGUSBBKTWWNCOC-UHFFFAOYSA-N 444.557 1.749 0 40 IDAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)NC(=O)NC[C@@H]1COc2ccccc2O1 13028765 XOSXRZUNHMCQPD-CYBMUJFWSA-N 428.832 1.716 0 40 IDAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O 13119366 KCGHJYNSNGLFCV-UHFFFAOYSA-N 425.441 1.610 0 40 IDAB COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(C(=O)c2ccco2)CC1 13504259 CAANFJIOPGCCCF-LJQANCHMSA-N 426.477 1.469 0 40 IDAB COc1ccc(CNC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 16522006 UWFNUIIWEDZDOA-MRXNPFEDSA-N 435.521 1.846 0 40 IDAB COCC(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)c4ccncc4C)CC3)c2c1 19239410 VXQTTWBBBSNKBX-UHFFFAOYSA-N 437.500 1.992 0 40 IDAB CC(C)N1CCc2nc3cc(C(=O)N(C)[C@@]4(C)CCS(=O)(=O)C4)ccc3c(=O)n2CC1 19448581 KEWMSSZMEIRWCQ-QFIPXVFZSA-N 446.573 1.312 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3cccc(F)c3)C1)C2=O 19699660 ZSMAEOCRAPCZCY-GOSISDBHSA-N 444.507 1.999 0 40 IDAB CC(=O)Nc1cc(C)c(S(=O)(=O)N2Cc3cn(C)nc3[C@@H](C(=O)N(C)C)C2)cc1C 19701265 NUHGAXLMIAZUFK-INIZCTEOSA-N 433.534 1.372 0 40 IDAB Cc1nc(CC(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)cs1 19705481 QQZIBGSJYZDWQX-HNNXBMFYSA-N 446.554 1.926 0 40 IDAB CCCCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C 20503267 FJAWQISHDBIWJS-UHFFFAOYSA-N 442.520 1.175 0 40 IDAB O=C(CN1CCN(CCOc2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 22799512 GXTKORIVLJXGAB-UHFFFAOYSA-N 440.500 1.803 0 40 IDAB O=C(COc1ccccc1F)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134769 PYXAPAZDJKCZPA-UHFFFAOYSA-N 432.406 1.803 0 40 IDAB O=C(Cn1nc2c(c1NC(=O)c1ccc3c(c1)OCO3)CSC2)NC[C@@H]1CCCO1 23139068 HZFHLYPXNRARHY-ZDUSSCGKSA-N 430.486 1.906 0 40 IDAB O=C(NCC(=O)N1CCN(Cc2cccs2)CC1)c1ccc(N2CCCC2=O)cc1 23736853 XLHXJNAHTBKXIF-UHFFFAOYSA-N 426.542 1.949 0 40 IDAB O=C(Nc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1)c1cccs1 23819198 DZETXSXGQYUZNO-QGZVFWFLSA-N 433.555 1.945 0 40 IDAB COc1cccc([C@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c2nccn2C)c1 29975709 APMIYYUGUQYLIZ-UXHICEINSA-N 432.484 1.755 0 40 IDAB O=C(C1CCC(Cn2cnnn2)CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 40286286 UTEHXFJKOUNMJY-UHFFFAOYSA-N 436.513 1.152 0 40 IDAB CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 57414533 XRKYJLQRRNQJOI-IBGZPJMESA-N 446.504 1.072 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)C(=O)Nc2ccc(F)c(F)c2F)c1 58006240 OKDXYGUPIFNGIW-UHFFFAOYSA-N 429.420 1.754 0 40 IDAB COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 59283304 OSEPBYDIGCAOKG-IBGZPJMESA-N 437.496 1.548 0 40 IDAB CC(=O)Nc1nc(C(=O)N2C[C@H]3CCc4c(nc(N5CCCC5)[nH]c4=O)[C@H]3C2)cs1 72336074 DZUBDCZXWDDMMC-OCCSQVGLSA-N 428.518 1.587 0 40 IDAB COc1ccc(CCNC(=O)CN2CCC(c3nn(C)c(=O)n3C3CC3)CC2)cc1OC 77154419 CAHZNQJCQFMGJW-UHFFFAOYSA-N 443.548 1.472 0 40 IDAB CN1C(=O)[C@@H]2[C@@H](c3cccs3)N3[C@@H]4C(=O)N(C)C(=O)[C@H]4[C@H](c4cccs4)N3[C@@H]2C1=O 170620936 SPHHDFIPWOIWAC-AYCBFJCHSA-N 442.522 1.105 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCSc1ncn[nH]1 222749682 PDMKYDOHSSPNGV-UHFFFAOYSA-N 439.563 1.657 0 40 IDAB COc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1Cl 224347699 XQBDLNYVTVIAMS-UHFFFAOYSA-N 427.914 1.842 0 40 IDAB S=C(NC[C@@H]1CCCO1)Nc1nc(Sc2ncccn2)cc(N2CCOCC2)n1 225907969 NRBWFOYXUZXGFY-ZDUSSCGKSA-N 433.563 1.720 0 40 IDAB COc1ccc(CCN2CC(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 230089172 ODVVGDFJWVSFSW-MOPGFXCFSA-N 430.526 1.761 0 40 IDAB Cc1nc2cc(C(=O)N3CCN(CCc4ccccc4)C[C@@H]3C(N)=O)ccc2n1CCO 257261477 LHMAUYKFGADZSD-JOCHJYFZSA-N 435.528 1.191 0 40 IDAB CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)NCCCO)cc2)c1 506629869 HBJPIJJUXKZLRO-UHFFFAOYSA-N 436.486 1.785 0 40 IDAB O=S1(=O)C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)[C@@H](O)C1 575424645 VATLUVPAMMUSQP-CVEARBPZSA-N 446.344 1.802 0 40 IDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148525 RZKDSRBFRVNILZ-UHFFFAOYSA-N 437.382 1.093 0 40 IDAB CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CC(C)C)CCCCOC[C@@H](O)[C@H]1O 643586327 ARTURFRZBSUVPW-ZZLPTCMGSA-N 444.613 1.672 0 40 IDAB COCCCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(=O)n3cccc(C)c3nc21 5322579 FFKGDEDRWLLVSG-UHFFFAOYSA-N 425.489 1.332 0 40 IDAB COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCCCCC1 6239128 ISXQUFNLFFDDSL-LJQANCHMSA-N 426.477 1.855 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1CN(CCCO)S(=O)(=O)c1ccccc1F)OCO3 6446057 LCMFLCQOMRIAPS-UHFFFAOYSA-N 434.445 1.969 0 40 IDAB O[C@H](CNCc1ccccn1)COc1ccc(OC[C@H](O)CNCc2ccccn2)cc1 6475567 AINKPOUJTGSPRM-FGZHOGPDSA-N 438.528 1.536 0 40 IDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 9126376 OOGXHPBNIYZPPR-HXUWFJFHSA-N 435.590 1.863 0 40 IDAB NC(=O)COc1ccc(C(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 9497907 FIFYXYHPZULJGW-UHFFFAOYSA-N 444.447 1.691 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc(N)cc(=O)[nH]1 9562399 URDAJAXXHHQVAT-UHFFFAOYSA-N 437.547 1.566 0 40 IDAB COc1cc(OC)c(N2C[C@H](C(=O)O[C@@H](C)C(=O)N3CCOCC3)CC2=O)cc1Cl 12777941 SMZZKZIDIZJVDH-QWHCGFSZSA-N 440.880 1.501 0 40 IDAB CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1 12895492 CCRCDWNICUVYLS-IBGZPJMESA-N 447.557 1.094 0 40 IDAB CCCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n[nH]c1=O 13637552 KRQPUXGSLNYWOC-UHFFFAOYSA-N 425.536 1.497 0 40 IDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 16046441 OYAOJPIBFAQLHD-LJQANCHMSA-N 441.509 1.817 0 40 IDAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1 16680245 DXRDGWNHTAREOQ-UHFFFAOYSA-N 446.467 1.619 0 40 IDAB Cc1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C1)OCC2 19287435 XSNGTBPIHRLGGK-HXUWFJFHSA-N 430.486 1.483 0 40 IDAB COC[C@H](C)N1C[C@H](C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)CC1=O 19456582 YJSIDSZKRIBKKT-HDMKZQKVSA-N 438.532 1.947 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 19572293 UJDSDRSSKQAODB-QGZVFWFLSA-N 431.518 1.167 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)C[C@@H](C)n3cccn3)CC1)C2=O 19700691 LHFBQAMTMQXKDQ-GOSISDBHSA-N 444.580 1.869 0 40 IDAB Cc1ccccc1C(=O)NCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1 21453541 VSEIRHKJHLKYMK-UHFFFAOYSA-N 428.470 1.512 0 40 IDAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23135047 XRUZBGUEYJHOCP-UHFFFAOYSA-N 436.900 1.961 0 40 IDAB Cc1sc2ncnc(N3CCC(C(=O)OCc4cc(=O)n(C)c(=O)n4C)CC3)c2c1C 32865428 ZGOAKHBOWDLHJB-UHFFFAOYSA-N 443.529 1.665 0 40 IDAB COc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)c3ccccc3)CC2=O)cc1OC 58005319 OJVOMWVAOOBARE-OAHLLOKOSA-N 432.498 1.647 0 40 IDAB CCCNC(=O)c1nsc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1N 67334906 DRDZPBMZHUQGCZ-UHFFFAOYSA-N 431.518 1.552 0 40 IDAB CCCNC(=O)COC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 72294517 BOUDYKGBUOZPRI-UHFFFAOYSA-N 430.318 1.775 0 40 IDAB C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)CN4CCCC4)CC3)n2)C1 72335939 SXOUNAZFTSAJPT-QGZVFWFLSA-N 449.621 1.918 0 40 IDAB Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cc3cccc4c3n(c2=O)CC4)o1 96116221 SMLPRQKVFXUVRZ-KRWDZBQOSA-N 436.464 1.906 0 40 IDAB biogenic CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C(OC(C)=O)OC(C)=O)C=C[C@H]3O2)cc1 101360922 HEQTYXGTZHVIOU-OZQHCQBDSA-N 429.425 1.741 0 40 IDAB COC[C@@H]1O[C@H](O[C@H](CCCCCC(C)=O)CCCCCC(=O)O)[C@@H](O)[C@H](O)[C@H]1O 253534719 IBDPEULNUMJDEE-UIVYVLBTSA-N 434.526 1.400 0 40 IDAB biogenic,in-vitro COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@H]2c2ccc(CNC(=O)CO)cc2)cc1 257221639 DPYHHHVZZLXZEW-VXKWHMMOSA-N 425.529 1.308 0 40 IDAB Cc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCN(C)CC2)n(C)c(=O)n3C)cc1 408535917 UQEFVMDAYHPUEF-UHFFFAOYSA-N 429.546 1.738 0 40 IDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)c(Cl)c1 408636702 TWLVISPJCQTJIR-UHFFFAOYSA-N 447.985 1.636 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc1 408672308 VKJZSCXBGFIVCG-MRXNPFEDSA-N 439.424 1.148 0 40 IDAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)N[C@@H](CC1CC1)C(=O)O 554289726 KEGUOOQSUSEYGJ-FPOVZHCZSA-N 435.480 1.869 0 40 IDAB CC(=O)Nc1ccc(CN[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(-c3cccc(F)c3)nn2)cc1 1549161549 LXGXWNNDUZMMPR-BHDDXSALSA-N 425.464 1.961 0 40 IDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888885431 ITHDLSDKJCEUEX-MCFFVMPBSA-N 432.496 1.651 0 40 IDAB COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)n(CCc2ccc(F)cc2)c(=O)[nH]c1=O 2268349 SDNZGOBURBCPGB-KRWDZBQOSA-N 442.399 1.901 0 40 IDAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 8703976 LQPIFJDZLGENMV-UHFFFAOYSA-N 434.503 1.248 0 40 IDAB COc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CC(=O)O)c(=O)n(C)c4nc23)cc1 8992251 WASUNKDCQSPMFU-UHFFFAOYSA-N 445.435 1.899 0 40 IDAB C[C@@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C)N1C(=O)c2ccccc2C1=O 9284593 WDPBXTHMMATINZ-ZDUSSCGKSA-N 435.436 1.978 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)NC(=O)N[C@H]1C 9442514 IUYLWXYKLHEMII-KSSFIOAISA-N 431.489 1.811 0 40 IDAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 9492939 UEABAPWZVPLWFO-ZDUSSCGKSA-N 431.942 1.804 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1 9660344 BKGXQAKJDOEXRI-UHFFFAOYSA-N 444.517 1.855 0 40 IDAB CCOc1ccc(-n2c(C)cn3c4c(=O)n(CCC(=O)OC)c(=O)n(C)c4nc23)cc1 9829407 UAAGAVXLPKVFME-UHFFFAOYSA-N 425.445 1.409 0 40 IDAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4)c(C)c(C)n23)n(C)c1=O 9829483 INVDFTRIJZEIDH-UHFFFAOYSA-N 439.472 1.717 0 40 IDAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9963407 FFPXYJXPCUBVPQ-UHFFFAOYSA-N 436.555 1.525 0 40 IDAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 12238846 BFVUDDHAECWTNI-QGZVFWFLSA-N 444.561 1.735 0 40 IDAB O=C(NCCN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)c1ccco1 12822761 HGEWLZSZHLPGDP-UHFFFAOYSA-N 448.364 1.840 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 16032694 YXFYDKGOUWOCQS-JEOXALJRSA-N 432.473 1.829 0 40 IDAB biogenic O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 16047042 HVGCHQBBFFJQDD-PBHICJAKSA-N 439.434 1.908 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N[C@@H](c2ccc3c(c2)CCC3)c2cccs2)n(C)c1=O 18235381 HIGIPHMMRVCUHZ-IBGZPJMESA-N 449.536 1.890 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccc(C)cc3)[nH]c(=O)c2C1 19209748 RPTVWSNCSYYIJY-FQEVSTJZSA-N 438.528 1.906 0 40 IDAB COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCCN4CCOCC4)C3)c2N)cc1 19558765 OPICFRFPQNWBSU-KRWDZBQOSA-N 441.532 1.607 0 40 IDAB CCS(=O)(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 19699437 HCFDXMLQSUKWNG-UHFFFAOYSA-N 448.545 1.027 0 40 IDAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 20111303 JYFOWKHPXSVTTR-UHFFFAOYSA-N 434.514 1.997 0 40 IDAB CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Br)c1 32090677 JVPXRFWQOVVKNR-KGLIPLIRSA-N 432.340 1.899 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@H]2C[C@@H](C)OC2=O)CC1 32736527 HJVPDWGWJKGTJQ-DOMZBBRYSA-N 425.459 1.121 0 40 IDAB CS(=O)(=O)N1CCC(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 32876163 OPWHHGUOVVPEIQ-UHFFFAOYSA-N 434.484 1.857 0 40 IDAB COC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC 34721387 ZLNANMMKQCDKLX-ZSOIEALJSA-N 444.396 1.720 0 40 IDAB CC(C)C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 35291121 MBEPRXKCZKNHJM-UHFFFAOYSA-N 432.912 1.320 0 40 IDAB COc1cc(OC)c2cc(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)[nH]c2c1OC 40150104 OILPVTRNFSKUER-UHFFFAOYSA-N 440.456 1.339 0 40 IDAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCCN(C(C)C)C(C)C 40160186 OZIOPLNTBCCQJJ-HXUWFJFHSA-N 441.594 1.996 0 40 IDAB O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)NC2CCCCC2)c1=O)NC1CC1 49402420 CJUNCHHRAPFYNG-UHFFFAOYSA-N 438.484 1.637 0 40 IDAB COc1ccccc1N1CCN(C(=O)c2snc3c(=O)n(CC(C)C)c(=O)[nH]c23)CC1 49409875 KHGXRCYVTKXYGX-UHFFFAOYSA-N 443.529 1.773 0 40 IDAB CCOC(=O)c1cccc(NC(=O)CN2C(=O)S[C@H]([C@H]3SC(=O)NC3=O)C2=O)c1 65090523 DQRAAQANZDULDF-VXGBXAGGSA-N 437.455 1.217 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2cnc(-c3ccccc3)cc2=O)cc1 70655814 TYQWJQXVTIHGSU-UHFFFAOYSA-N 426.498 1.591 0 40 IDAB C[C@H](C(=O)N1CCN(C)CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326600 XABJNAFGVJLLLN-SPLOXXLWSA-N 433.940 1.367 0 40 IDAB CC(C)c1sc(Br)nc1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 95477039 OJOMOVBVSICOEL-LLVKDONJSA-N 436.397 1.974 0 40 IDAB CCCCNC(=O)N1CCC2(CC1)O[C@H](C(=O)NCc1ccccn1)Cn1ccnc12 96243872 ZMPRHESQCOJZOF-SFHVURJKSA-N 426.521 1.794 0 40 IDAB CC1(C)NC(=O)N(C[C@@H](O)COc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)C1=O 100576862 HJIBHMRTIMQCCM-OIISXLGYSA-N 427.457 1.212 0 40 IDAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2)Oc2ccccc21 113946540 HOXZWXRNTZPYJQ-NRFANRHFSA-N 444.557 1.994 0 40 IDAB CCOCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222819052 NBMREJJPEHOGAO-HNNXBMFYSA-N 447.985 1.491 0 40 IDAB COCCn1c(C(=O)NCCCc2cnc3ncnn3c2)cc2c(=O)n3ccccc3nc21 225643910 BCIWOWCPXOVNCW-UHFFFAOYSA-N 446.471 1.096 0 40 IDAB CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C3\C(=O)Nc4ccccc43)c(=O)n12 226956108 IZKAOEVHZXAETM-YQDCQOQZSA-N 431.473 1.597 0 40 IDAB C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2ccco2)[C@H]31 245227626 KZQAKQMIKBMOJN-YUOHPPGCSA-N 446.506 1.976 0 40 IDAB Cc1ccc(CN2C(=O)[C@@H]3[C@H](C(=O)NC4CC4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCC2)cc1 245230334 PMOHSBMXAZPEMG-XGVVWFOMSA-N 449.551 1.983 0 40 IDAB CN(C)C(=O)CN1C[C@@H]2CC[C@@H](C(=O)N3CCCCC3)N2c2ccccc2S1(=O)=O 306129559 IGVUHIMKJCIHKZ-WMZOPIPTSA-N 434.562 1.129 0 40 IDAB O=C(NCC[C@]1(O)C(=O)Nc2ccccc21)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1153785989 KHPRYDNCFGYJPO-BVZALQNUSA-N 439.468 1.105 0 40 IDAB COC(=O)[C@@H](CCC(=O)CN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 1747040 WQWIYRWDEHZISD-GOSISDBHSA-N 434.404 1.470 0 40 IDAB O=C(O)[C@H]1[C@H](C(=O)O)C2(c3ccccc3)NC1(c1ccccc1)[C@@H](C(=O)O)[C@H]2C(=O)O 2053640 SLHKTTWYLPUJLM-RUDFCAMMSA-N 425.393 1.197 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 2129307 DUCJOSYWMDPMOJ-LNCDPPCRSA-N 449.507 1.613 0 40 IDAB CC(=O)N[C@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 2129617 NWNJMUITOYPCJP-COPLHBTASA-N 437.780 1.974 0 40 IDAB O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)N1CCN(c2ccccc2)CC1 4057253 NPXLVERDJAFJLT-UHFFFAOYSA-N 447.474 1.524 0 40 IDAB CC[C@@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C 4090789 MVXWMRJNABVTPR-FTRWYGJKSA-N 427.567 1.196 0 40 IDAB CCN(C(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)[C@H]1CCS(=O)(=O)C1 9545917 GGURNLJGYJSXSQ-ORAYPTAESA-N 438.527 1.194 0 40 IDAB Cn1c(SCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1C1CC1 9606942 SUKZARYOJVTFHN-UHFFFAOYSA-N 435.575 1.459 0 40 IDAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc(C)cc1 9636794 QHNUAZWNAPSBQV-ZPAWYTMASA-N 437.445 1.030 0 40 IDAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 9779692 AIFFOGYJHBWJJU-CYBMUJFWSA-N 440.319 1.337 0 40 IDAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3cccc(OC)c3)cc2C1=O 9963764 JYORIJJPEXINIX-UHFFFAOYSA-N 440.452 1.801 0 40 IDAB O=C(NCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1)c1cccc(Cl)c1 12376815 LWHBCNFAOOVYON-UHFFFAOYSA-N 448.888 1.857 0 40 IDAB COc1ccc(C(C)=O)cc1CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13042533 XVUJHPMHMFGBFE-UHFFFAOYSA-N 436.468 1.584 0 40 IDAB Cn1c(=O)c2[nH]c(CCCc3nc4c([nH]3)c(=O)n(C)c(=S)n4C)nc2n(C)c1=S 13284958 CKNRZZMPKSYJCP-UHFFFAOYSA-N 432.535 1.148 0 40 IDAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 13567081 HUMCZUMEFIQGEJ-UHFFFAOYSA-N 448.497 1.805 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCCCN1CCC(C)CC1)c1ccc2c(c1)OCO2 13674313 NBMKRERDQOFZPM-UHFFFAOYSA-N 425.551 1.810 0 40 IDAB CCOC(=O)N1CCN(CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)CC1 19530619 ZCRPIXXCUOCLQH-UHFFFAOYSA-N 445.564 1.450 0 40 IDAB CN(C)c1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@H]2CCCNC2)n1 19709734 VSWPEYOGBNWTLQ-HNNXBMFYSA-N 447.561 1.602 0 40 IDAB NC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(S(=O)(=O)N2CCOCC2)C1 19739056 DATMLWVHWIZKHW-LJQANCHMSA-N 426.539 1.019 0 40 IDAB Cc1ccc2c(c1)N(C(=O)Cn1nc3ccc(S(=O)(=O)C(C)(C)C)nn3c1=O)CCO2 23125921 SNKMSXYGHXCICW-UHFFFAOYSA-N 445.501 1.197 0 40 IDAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)NN1C(=O)NC2(CCCCC2)C1=O 23623172 ZWZXCXZZWYTTFW-UHFFFAOYSA-N 433.553 1.387 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 31484140 LUDNGOPIDMBLAR-UHFFFAOYSA-N 444.282 1.913 0 40 IDAB COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C(=O)C(C)C)CC1 32905323 RTMVYHJZXWTNSR-UHFFFAOYSA-N 437.562 1.952 0 40 IDAB CCN(CC)C(=O)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 32925695 PRPYYNUKHJQAJH-ZDUSSCGKSA-N 431.942 1.348 0 40 IDAB CCN1CCC[C@H]1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 36383560 GEEQKJAEZUJADN-GJZGRUSLSA-N 437.591 1.693 0 40 IDAB COc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 56998052 VDOVWQYFZGCGDH-QZTJIDSGSA-N 430.482 1.438 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1CN(CCO)Cc1nnnn1Cc1ccccc1)OCCO3 57640488 FIWAOXVUZZVECA-UHFFFAOYSA-N 448.483 1.329 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101224268 XBOKQNSWCGYWGW-HAGHYFMRSA-N 442.493 1.800 0 40 IDAB Cc1ccc(N2C(=O)[C@@H]3C(C(=O)CCN4C(=O)c5ccccc5C4=O)=NN[C@H]3C2=O)cc1 103525938 JIPMAJYWEQFPSK-IEBWSBKVSA-N 430.420 1.068 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)Cc1ccccc1 223223821 KVVDMGFKPFRESA-UHFFFAOYSA-N 431.514 1.559 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc3c(c2)OCCO3)cc1 244998723 KQXGFDCPIQUGFJ-MRXNPFEDSA-N 432.454 1.123 0 40 IDAB COc1ccc(OC)c(-c2cc(C(=O)N3CCC(N4C(=O)CNC4=O)CC3)n(C)n2)c1 390827713 JJAJIZHORKVTNX-UHFFFAOYSA-N 427.461 1.261 0 40 IDAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 524729070 BMMJPIJFAFIPGM-FYQPLNBISA-N 438.528 1.399 0 40 IDAB biogenic CCOC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 585283765 UNXDENWGWFURKI-NRFANRHFSA-N 444.475 1.390 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 669936720 ALBPCPPHZOCCIP-MAUKXSAKSA-N 448.545 1.308 0 40 IDAB CC[C@@H]1NC(=O)N(c2cccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)c2)C1=O 1128895991 ZGHRTFVMDSZBHI-RDJZCZTQSA-N 435.440 1.601 0 40 IDAB CC(C)[C@@H](C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 2648627 BIVZPZRNRSYTTI-OAHLLOKOSA-N 425.551 1.855 0 40 IDAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1cnccn1 3358167 QVPKDFDJZIUXLU-UHFFFAOYSA-N 440.481 1.320 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1OC 3503113 SIKXHPZTYFSRNR-NRFANRHFSA-N 427.413 1.838 0 40 IDAB aggregator CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)O)CC1 4302333 KOWXEOKQUJEIQD-JSGCOSHPSA-N 431.555 1.461 0 40 IDAB C[C@H]1CN(c2ccc(Br)cc2)c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2C1 9713466 ODTMKIXOYXVXHW-LBPRGKRZSA-N 448.321 1.829 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)OCC(=O)NCCc2ccc(F)cc2)nc1N 9984925 SKMIVHRRBTXHNH-UHFFFAOYSA-N 436.465 1.369 0 40 IDAB Cc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1S(=O)(=O)N1CCOCC1 11625003 WXTYFJSGEAVSQS-UHFFFAOYSA-N 438.527 1.802 0 40 IDAB CC(=O)N[C@H]1[C@@H](Oc2cccc(C)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 12406247 LERJREBRRWXADA-QSUVIHHLSA-N 437.445 1.030 0 40 IDAB O=C(O)c1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1 12429052 BGARIECHKROLBN-INIZCTEOSA-N 449.407 1.806 0 40 IDAB C[C@@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](C)O1 12521237 BFGXWDGSPYATPS-CHWSQXEVSA-N 430.486 1.906 0 40 IDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 13026992 ZWGZTBNUSBMQQD-OAHLLOKOSA-N 444.513 1.397 0 40 IDAB CCOC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 15435154 VGTIFAOQRCXECB-UHFFFAOYSA-N 447.351 1.919 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)CC1 19520262 JLEATSLOFIEKIV-QGZVFWFLSA-N 445.545 1.210 0 40 IDAB CCN(CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1ccccc1 20031073 UEMOCZWGTWZREI-UHFFFAOYSA-N 439.559 1.264 0 40 IDAB COc1ccccc1N1C[C@H](C(=O)NCCNC(=O)[C@H]2COc3ccccc3O2)CC1=O 20744718 KPPBOEUHMYQDKK-FOIQADDNSA-N 439.468 1.121 0 40 IDAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 22384255 JENXPXLIDJCHLF-UHFFFAOYSA-N 432.502 1.581 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3nccs3)CC2)c1 23009064 UHDFEMMYXCELTM-UHFFFAOYSA-N 449.602 1.956 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cccc(-n2cnnn2)c1 24335874 NDBSPEROCMGYFL-UHFFFAOYSA-N 426.380 1.755 0 40 IDAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 24976663 WOAHMWFSYQKJTE-HNNXBMFYSA-N 426.498 1.958 0 40 IDAB COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 27914729 HLWQZNYWRCTVGQ-UHFFFAOYSA-N 444.513 1.032 0 40 IDAB O=S1(=O)CC[C@@H](S(=O)(=O)c2cccc(S(=O)(=O)NCc3ccccc3F)c2)C1 31772776 LINRPEHGBSRLNF-MRXNPFEDSA-N 447.531 1.265 0 40 IDAB COCCN(Cc1ccccc1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 33000130 NSSSXNKIUYVEER-UHFFFAOYSA-N 438.571 1.987 0 40 IDAB O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1ccnn1C1CCCC1 36398803 OEDPINHFCAHVQK-UHFFFAOYSA-N 438.598 1.675 0 40 IDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)C1 48262773 KYAWOPCAAXNUSO-HNNXBMFYSA-N 429.564 1.948 0 40 IDAB COC(=O)C[C@@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1ccccc1 48344407 OYKUQOAJHBVKGN-DENIHFKCSA-N 435.480 1.883 0 40 IDAB CCn1cc(C(=O)N2C[C@@H]2C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 67338427 DDTCCEKPJCASEV-AJWVYOOVSA-N 431.562 1.875 0 40 IDAB Nc1c(C(=O)[C@H]2CCCN2C(=O)COCCN2CCCC2=O)cnn1-c1cccc(F)c1 72391163 ZPVNYIOOYRAYQJ-GOSISDBHSA-N 443.479 1.406 0 40 IDAB COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)NCCc2nc3ccccc3[nH]2)C1=O 96232511 IOZCLCYQIWAFJM-SFHVURJKSA-N 435.484 1.783 0 40 IDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219664952 XFJLCNGRBBDXQP-UHFFFAOYSA-N 448.453 1.664 0 40 IDAB Cc1[nH]c2ccc(CNC(=O)CN3CCO[C@@](C)(C(=O)N4CCOCC4)C3)cc2c1C 257204207 ATNIRVWHLRYOMF-HSZRJFAPSA-N 428.533 1.351 0 40 IDAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2C)C1 408661990 WPLAVGKZUKGRAG-OAHLLOKOSA-N 425.441 1.679 0 40 IDAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cc(C)on4)c3)C(=O)[C@@H]12 408663849 OZGJHJAPAUYPAX-NBPAUJCUSA-N 435.436 2.480 0 40 IDAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1 409215006 ZDZJFCLONMBMIS-HVVQPJKBSA-N 434.470 1.570 0 40 IDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 575426769 ZMUZSQFBVXAXTG-STQMWFEESA-N 437.923 1.395 0 40 IDAB CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 586823052 NGJQZRKJTKMJJQ-SQOWSMRPSA-N 434.533 1.899 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](Oc3ccncc3Br)C2)CC1 1848770349 WJGXUHBBKLPJTG-CYBMUJFWSA-N 432.340 1.495 0 40 IDAB Cc1nc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)nc(O)c1F 1888904241 FSRBKHPAGRJHDP-UHFFFAOYSA-N 442.426 1.341 0 40 IDAB O=C(CN1CCN(c2cc(-n3cccn3)ncn2)CC1)N1CCN(c2ccccc2)CC1 1889246749 CWLVMJWZBSZUSC-UHFFFAOYSA-N 432.532 1.133 0 40 IDAB Cc1ccc2c(c1)[C@]1(N[C@@H](CCC(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 2129178 YJTFAPLZYSXKBF-QLBZUPSYSA-N 433.464 1.780 0 40 IDAB biogenic O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 2642920 FKZSTIIJVWPMEY-UHFFFAOYSA-N 444.962 1.882 0 40 IDAB O=C(OCC(=O)N1CCOCC1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 3229891 GHCHATFAXMZLJW-UHFFFAOYSA-N 444.509 1.844 0 40 IDAB COc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1cccc(Cl)c1)CN=3)C(=O)N2 8974609 GFZCPSRYQSXJQZ-MSUUIHNZSA-N 426.885 1.778 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(=O)Nc3ccccn3)C2)cc1 9304955 UIPYRRCMSHPZPE-INIZCTEOSA-N 446.529 1.636 0 40 IDAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 9594718 VGZLSUSZNJRFDH-UHFFFAOYSA-N 438.527 1.504 0 40 IDAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)NCc2ccc3c(c2)OCO3)c1N 9677872 RGMXHACWDZDTIV-UHFFFAOYSA-N 438.444 1.556 0 40 IDAB O=C(N[C@H]1C=CS(=O)(=O)C1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 12322668 WCZIOJIMYNHZLV-XUJLQICISA-N 430.523 1.337 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1COc2ccccc2O1 13568378 QHAHFFBPLBTVKR-LJQANCHMSA-N 434.470 1.495 0 40 IDAB Cc1cc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)n(C)n1 13614964 QJMSMHZNKGSFKU-UHFFFAOYSA-N 448.480 1.957 0 40 IDAB CC(C)Oc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC(=O)N(C(C)C)C1=O 13692208 OLMOGXCRXWUBQS-UHFFFAOYSA-N 425.507 1.672 0 40 IDAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1 14182939 DHKWPKMFFGYIAM-UHFFFAOYSA-N 446.525 1.551 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 14235774 DPUUEJASJNPHMA-IRXDYDNUSA-N 445.607 1.470 0 40 IDAB CCn1c(S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)nc2cc(S(N)(=O)=O)ccc21 17039291 QEMLTCVMXBCCPJ-JTQLQIEISA-N 427.552 1.809 0 40 IDAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)C[C@@H]4CCS(=O)(=O)C4)nn3cn2)cc1 19574406 ZPZYSHQRKILARE-KBPBESRZSA-N 429.502 1.802 0 40 IDAB O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@H](Cc1ccccc1)N[C@@]21C(=O)Nc2ccccc21 20758741 QWTPFGWYUWQUJX-IJEZHKBASA-N 431.492 1.829 0 40 IDAB biogenic C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(S(=O)(=O)c3cccs3)CC1)C2=O 23703322 JBHXEWKJRVXYEO-KBXCAEBGSA-N 426.564 1.513 0 40 IDAB C[C@H](NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 30379401 NUOPXWXEASTQSR-ZDUSSCGKSA-N 444.506 1.856 0 40 IDAB O=C(NCc1ccccn1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945241 PWDYNAAHJYWPBZ-OAQYLSRUSA-N 433.512 1.971 0 40 IDAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cc1F 89960391 CBOQDXZRFSHDFV-UHFFFAOYSA-N 442.538 1.883 0 40 IDAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(Br)s3)[nH]n2)CC1 95476247 BIZFDWPNKGHOOS-UHFFFAOYSA-N 448.368 1.465 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](Nc2cccc(C)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 252394315 GMHYNAOFGRHEHB-LUYSREMJSA-N 437.445 1.490 0 40 IDAB C[C@]1(O)COC2(CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)C[C@@H]1NS(C)(=O)=O 257219887 DIQWKTDFTZCMOR-ICSRJNTNSA-N 449.529 1.406 0 40 IDAB CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)[C@@H](N)Cc1ccc(O)cc1 257332936 XZJROMJTUMKVLC-FQEVSTJZSA-N 435.528 1.695 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 408705075 XWPCNLKNEWUBDG-CQSZACIVSA-N 440.518 1.414 0 40 IDAB CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 647690861 MFACTVCDHUJBRT-LAUBAEHRSA-N 441.507 1.525 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 669936721 ALBPCPPHZOCCIP-YJBOKZPZSA-N 448.545 1.308 0 40 IDAB C[C@@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1626136835 UYOOFWCOMCMALB-PERKRYKHSA-N 425.504 1.897 0 40 IDAB CCOC(=O)c1sc(NC(=O)CSc2nc(O)c(NC(C)=O)c(=O)[nH]2)nc1C 2746193 XOCIZNPCCZRRJM-UHFFFAOYSA-N 427.464 1.106 0 40 IDAB Cc1nn([C@@H](C)C(=O)Nc2cnn(C)c2C(=O)NCc2cnn(C)c2)cc1Br 2804671 IFDHWCZINCIXFC-NSHDSACASA-N 449.313 1.551 0 40 IDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1ccccc1-c1ccccc1 4195457 JLXWZBWIENDDRY-SFHVURJKSA-N 430.526 1.884 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2C2CCCC2)C1=O 9503517 FLSRAAFPHIHKHR-LJQANCHMSA-N 429.506 1.769 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 9548435 XFQJVVLJOXOXQD-UHFFFAOYSA-N 429.502 1.683 0 40 IDAB O=C(CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1)NC[C@H]1COc2ccccc2O1 9548884 QHRMKMRHTGUSFM-NEPJUHHUSA-N 425.488 1.020 0 40 IDAB COC(=O)c1ccc(COC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C)c(C)c2)cc1 9586088 LEWQKTJDGXWINZ-QUCCMNQESA-N 447.509 1.957 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)CC1 11758598 BDUWJJQXXZLPIA-UHFFFAOYSA-N 445.480 1.742 0 40 IDAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CCN(S(C)(=O)=O)CC1 12185229 ZHSAJBNSOSTQBS-HNNXBMFYSA-N 438.575 1.538 0 40 IDAB Cc1cc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc(S(N)(=O)=O)c1C 12603611 UELNQIMGWNCLSV-UHFFFAOYSA-N 427.530 1.557 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCCCC4)c2)CCN1 12854738 KYKCHMMJTIRZBX-UHFFFAOYSA-N 434.543 1.785 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1 12910747 ZQWXGUKJJUYMLU-AWEZNQCLSA-N 439.534 1.646 0 40 IDAB Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 12925164 KWNCJLIZIFRHSJ-UHFFFAOYSA-N 425.445 1.199 0 40 IDAB O=C(CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 13503323 QUFJBDRINPHSQO-IBGZPJMESA-N 445.541 1.289 0 40 IDAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=O)n(-c3ccccc3OC)c1=O)NCC2 17197644 WWAUVWRFABKIIP-LJQANCHMSA-N 425.441 1.492 0 40 IDAB biogenic CCCN1CCC2(CC1)NC(=O)N([C@H]1CCN(S(=O)(=O)c3ccc(C)cc3)C1)C2=O 19700775 JHQQZJUELSAXKS-KRWDZBQOSA-N 434.562 1.554 0 40 IDAB O=C(c1cccc(CN2CCOCC2)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 20111119 MAESONKCTKLGOF-UHFFFAOYSA-N 429.542 1.666 0 40 IDAB O=C(C(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1)c1c[nH]c2ccccc12 23134573 SDRPEBCZHVDEHK-UHFFFAOYSA-N 433.447 1.810 0 40 IDAB O=C(CNc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc2c(c1)OCCCO2 24836250 VUHTXDYIGZGWKS-UHFFFAOYSA-N 447.513 1.919 0 40 IDAB CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)N3CCC(C(N)=O)CC3)nnc12 35478647 XHXICMYWLUJAGR-UHFFFAOYSA-N 430.534 1.418 0 40 IDAB CC(C)(C)NC(=O)COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 40123153 OVSZZDAEXLDJHD-ZDUSSCGKSA-N 440.547 1.692 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)cc1 44837071 OPUJECJIARYKPY-UHFFFAOYSA-N 432.440 1.770 0 40 IDAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 59061396 CHUHENJIVYCEFF-OAHLLOKOSA-N 442.541 1.912 0 40 IDAB O=c1cccnn1CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 77099440 WYBUWKNLFUKAKA-UHFFFAOYSA-N 427.324 1.012 0 40 IDAB O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)NCc1ccccn1 101482792 HRINCFZBWCFHKL-HDICACEKSA-N 444.557 1.599 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222792695 XMHKMVZZJNDZDY-MRXNPFEDSA-N 433.530 1.625 0 40 IDAB Cc1ccc(CN(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 224754499 LYKDDYGOKGMADE-UHFFFAOYSA-N 445.585 1.905 0 40 IDAB CCn1cc([C@H]2CC(c3c(O)cc(C)oc3=O)=NN2c2ccc(S(N)(=O)=O)cc2)cn1 227173567 PCWXZJPQAQBDSJ-QGZVFWFLSA-N 443.485 1.873 0 40 IDAB CS(=O)(=O)N(CCCC(=O)NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2 260897503 ISWVCNYNSZKPGH-INIZCTEOSA-N 448.497 1.918 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408657321 JKQMXNCSUHPXOC-TUEPYVCHSA-N 426.425 1.151 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c(OC)c1 408693359 PVNMVXGLYFSNQZ-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB Cc1cccc2c(=O)n(Cc3nc(-c4cccc([C@]5(C)NC(=O)NC5=O)c4)no3)cnc12 544423869 BZMSUGCVGDLAGE-QFIPXVFZSA-N 430.424 1.858 0 40 IDAB COc1ccc(-c2cc(=O)n(CC(=O)N3C[C@@H]4CN(c5cnccn5)C[C@H]4C3)cn2)cc1 1888928811 ASKKGFKELMPEOZ-ROUUACIJSA-N 432.484 1.304 0 40 IDAB CNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 895527 IEQDOLHMEICRAW-UHFFFAOYSA-N 434.562 1.574 0 40 IDAB NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N12 2968734 SEOVILNFPNYYNM-KRWDZBQOSA-N 435.509 1.613 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NC2CCCC2)c(C)c1 3017093 WBIRPRBXJLSLBW-GOSISDBHSA-N 437.562 1.524 0 40 IDAB CNC(=O)[C@@H]1CN(CC(=O)N2CCc3cc(OC)c(OC)cc3C2)c2ccccc2O1 7255171 FBWLRMRJMRIEFS-NRFANRHFSA-N 425.485 1.602 0 40 IDAB O=C(O)[C@H]1[C@@H](C(=O)O)C2(c3ccccc3)NC1(c1ccccc1)[C@H](C(=O)O)[C@@H]2C(=O)O 8386433 SLHKTTWYLPUJLM-XHCGKAHNSA-N 425.393 1.197 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2ccc(C(C)=O)cc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O 8765254 YFPZJQZIRKMAKS-YTAOHXRWSA-N 427.453 1.973 0 40 IDAB biogenic CCOC(=O)C1CCN(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 9442757 VTBRBRQUTZBJIA-UHFFFAOYSA-N 431.942 1.804 0 40 IDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(F)c(F)c3)C(=O)[C@H]21)Nc1ccc2c(c1)OCCO2 9675209 AFGXUIHMTQMHMH-MSOLQXFVSA-N 443.366 1.668 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 11904926 RUYYJPHDRHATEO-AWEZNQCLSA-N 438.527 1.529 0 40 IDAB CCN(CC)CCN(C(=O)CN1C(=O)CCC1=O)c1nc2cc3c(cc2s1)OCO3 12140880 AGJMGGRSZQVSTF-UHFFFAOYSA-N 432.502 1.849 0 40 IDAB CC(C)NC(=O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 12390598 TXFVKBFEVHSLJL-CYBMUJFWSA-N 439.563 1.123 0 40 IDAB CC(C)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 12390678 JAWMUUFGZPJACF-STQMWFEESA-N 439.563 1.121 0 40 IDAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 12556532 CBYZZOLNYIQHIB-UHFFFAOYSA-N 432.527 1.869 0 40 IDAB CCCn1c(=O)n(C[C@H](O)COc2ccc(F)cc2)c(=O)c2c1nc(C)n2CCOC 12805286 LCNFFCMHJNMCJM-INIZCTEOSA-N 434.468 1.304 0 40 IDAB O=C(NCC(=O)N1CCN(C(=O)N2CCCCC2)CC1)c1ccc(Br)o1 12976804 GFKPMJUSECXNOK-UHFFFAOYSA-N 427.299 1.522 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(S(N)(=O)=O)c2)ccc1C 13072701 JSLDTUZIEAXYQY-UHFFFAOYSA-N 425.532 1.925 0 40 IDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 13108022 PJYOWPNNHHAIHE-UHFFFAOYSA-N 442.903 1.566 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(N2CCCC2=O)cc1 13127866 PHBIAQWMNDWSPV-UHFFFAOYSA-N 444.513 1.398 0 40 IDAB CN1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)CC1 13567049 VUURQLZMIUWORC-UHFFFAOYSA-N 431.514 1.427 0 40 IDAB COc1ccccc1NC(=O)Cc1noc(CN2CCN(C(=O)c3ccco3)CC2)n1 16698990 LBWVHLYIAACLLF-UHFFFAOYSA-N 425.445 1.810 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCN(C4CCCC4)CC3)CC2)Oc2ccccc21 19374682 QVVBHUDQCUNKKM-XMMPIXPASA-N 440.544 1.604 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCCN(C[C@H]4CC=CCC4)C3)nc(O)c2C1 19583780 FHVUGNNLWAADPR-IRXDYDNUSA-N 435.594 1.882 0 40 IDAB O=C(CN1CCOCC1)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19701946 RLZANXYNNPCKEM-INIZCTEOSA-N 444.557 1.417 0 40 IDAB C[C@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 19705783 LKXIZGKWAAHDRW-GOSISDBHSA-N 430.549 1.228 0 40 IDAB COc1ccc([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)c(OC)c1OC 20131178 DJUHLCLAQVXCJB-QAETUUGQSA-N 444.415 1.755 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1)c1n[nH]c2ccccc12 23995775 ODVATJADWJQIQF-UHFFFAOYSA-N 443.529 1.816 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)NC(=O)CO3)C1 24537479 LGPGIIRFYQQOKB-ZDUSSCGKSA-N 434.474 1.662 0 40 IDAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(c2nnnn2-c2ccccc2)CC1 24775297 SFFMYNHBBJNWFR-UHFFFAOYSA-N 433.472 1.699 0 40 IDAB C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Cn1cccn1 32935780 RMQMMGWSRLKASH-INIZCTEOSA-N 426.564 1.672 0 40 IDAB CCCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccco2)S(=O)(=O)c2ccccc2)CC1 36625530 HTRRPVDQYGUGHN-HXUWFJFHSA-N 447.513 1.280 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(CN3CCOC3=O)c2)C[C@@H](C)O1 40120680 GYTFLQLLKCHAPL-GASCZTMLSA-N 440.522 1.199 0 40 IDAB CCCn1ncc(C(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)c1C 57730161 OQFFRTLIIHVILQ-CQSZACIVSA-N 431.522 1.463 0 40 IDAB CCN(C(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(Br)cc1)C1CC1 72311025 XULLHCJQZQPGRB-UHFFFAOYSA-N 433.324 1.624 0 40 IDAB COCCN1Cc2cccc(C(=O)N3CC[C@H](c4cc(=O)[nH]c(N(C)C)n4)C3)c2C1=O 72395231 CRECVKHKAWZXSN-AWEZNQCLSA-N 425.489 1.068 0 40 IDAB O=C(CCCn1nnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 96114838 IJTHYXWALQIEOJ-IBGZPJMESA-N 446.467 1.767 0 40 IDAB biogenic COC(=O)Cn1/c(=N/C(=O)c2cccc(OC)c2)sc2cc(S(N)(=O)=O)ccc21 100876607 VEVKUJLAKPVSIO-ZZEZOPTASA-N 435.483 1.273 0 40 IDAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 225737438 SDZVVRJLBPOAEG-AWEZNQCLSA-N 445.419 1.807 0 40 IDAB COc1cc(N2CCc3ccccc3C2)nc(NC(=S)NCCN2CCOCC2)n1 225902924 PNNLPVUBJBIIPM-UHFFFAOYSA-N 428.562 1.667 0 40 IDAB CC(=O)c1ccc(N2CCN(C(=O)C3CN(c4cc(-n5cccn5)ncn4)C3)CC2)cc1 239578939 DBOSHJZXGNOPTE-UHFFFAOYSA-N 431.500 1.650 0 40 IDAB CN(C(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257210448 BUQSFJPSPJHRRG-BFYDXBDKSA-N 439.438 1.368 0 40 IDAB Cc1cc2nc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4ccc(O)nc4=O)C3)[nH]c2cc1C 257330353 XNZUUPPEEGJMAC-VGOFRKELSA-N 425.489 1.599 0 40 IDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 408612062 YCRNXSGUKAVKMO-UHFFFAOYSA-N 436.486 1.970 0 40 IDAB CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Cn1c(-c2cscn2)nc2ccccc21 506690889 TWEJEJNDHNCZII-KBPBESRZSA-N 433.559 1.994 0 40 IDAB O=C([C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)N1CCC[C@H](N2CCNC2=O)C1 525583385 WLBUPPCUBPRLQZ-MSOLQXFVSA-N 445.589 1.954 0 40 IDAB CN1CCN(C(=O)[C@@H]2CC(=O)N(C)CCCCCCOc3ccccc3C(=O)N2)CC1 1615161323 UMUBRGFLHJQTOK-IBGZPJMESA-N 430.549 1.360 0 40 IDAB Cc1cccn2c(=O)c3c(nc12)N(C)[C@H](c1ccccc1)C1(C3)C(=O)N(C)C(=O)N(C)C1=O 2353330 UAABGWPJUUWHRD-QGZVFWFLSA-N 445.479 1.773 0 40 IDAB NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1Cl 2435922 CIDDMEYPRIOHSX-UHFFFAOYSA-N 445.327 1.121 0 40 IDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(=O)OCC)CC2)c(C)c1 7604565 BXLUZXWCPPOVPB-UHFFFAOYSA-N 426.535 1.864 0 40 IDAB CCOC(=O)/C=C1\SCC(=O)N1CCN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 8733858 VEAWLXWZBUKALQ-SIBGDRKGSA-N 447.469 1.162 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OC)cc2)n(C)c1=O 8778505 LGJMDZIMWOESRL-ZDUSSCGKSA-N 427.461 1.256 0 40 IDAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccncc1 9060892 IILRWJAOKKFOAF-KRWDZBQOSA-N 448.520 1.444 0 40 IDAB CC(=O)N1CCN(C(=O)[C@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)CC1 9300915 ONUZJOYQYQDZSY-AWEZNQCLSA-N 442.497 1.845 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)C1 9305412 SIVXSHWQIGAVIK-SJORKVTESA-N 438.546 1.898 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc3c(c2)OCCO3)cc1 9580187 XPRQJLAWIDSZBE-UHFFFAOYSA-N 447.513 1.396 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCCN(C)C)c1 9748979 ROEWBANWDGIKAO-SFHVURJKSA-N 438.594 1.031 0 40 IDAB Cc1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N1CCOCC1 11401847 AEVCGXGXSABDQA-UHFFFAOYSA-N 444.465 1.426 0 40 IDAB O=C(NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 11796186 VUPPYTNJUBBKPX-UHFFFAOYSA-N 449.504 1.826 0 40 IDAB C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1ccc[nH]1 12622605 DPIHNOBLJUNDCM-RFAUZJTJSA-N 435.285 1.775 0 40 IDAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12972640 NGTHHCFLNWMWRY-ZIAGYGMSSA-N 445.497 1.756 0 40 IDAB COc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1 14245328 XCZAOKXWNOZKGL-UHFFFAOYSA-N 448.497 1.417 0 40 IDAB O=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1Br 15941963 UXSZALWJTQDQMW-UHFFFAOYSA-N 433.309 1.574 0 40 IDAB CCn1nccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC)cc1)C(C(=O)OC)=C(C)N=2 17102239 QMGOVDDJWPAEOB-XYSGSMRZSA-N 438.509 1.633 0 40 IDAB CC(C)OCC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 19693049 KOMCOTBGZXVENO-SFHVURJKSA-N 427.505 1.633 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)[C@H]3CC34CCC4)C1)C2=O 19699602 POKVSEBHNJILJD-IAGOWNOFSA-N 430.549 1.737 0 40 IDAB CCc1ccccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O 22379816 BJLJVCMTNIFSES-UHFFFAOYSA-N 439.559 1.904 0 40 IDAB Cc1csc(NC(=O)CSc2nc(=O)n(CCCN3CCOCC3)c3c2CCC3)n1 22909001 DVHSRIGBQPNGMK-UHFFFAOYSA-N 449.602 1.950 0 40 IDAB COc1ccc(NC(=O)C(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1OC 23127892 HCOWRZKCGUQNCV-IBGZPJMESA-N 427.457 1.359 0 40 IDAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)cc2)CC1 25014467 NYUMSMYMTCNMFA-FQEVSTJZSA-N 443.525 1.733 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 30014247 ULSFZBCCDOAWAK-ZWKOTPCHSA-N 440.500 1.864 0 40 IDAB CCOc1ncccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 30308704 QXJBIUKOFVFZNE-AWEZNQCLSA-N 435.502 1.625 0 40 IDAB CCCNC(=O)[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc2O1 31720301 HWGUPCROHDAJBB-LJQANCHMSA-N 446.529 1.733 0 40 IDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 32731365 RTXOUNCDCLOMEP-OAHLLOKOSA-N 447.513 1.083 0 40 IDAB Cn1c(=O)c2c(ncn2CCOC(=O)c2csc(NCc3ccccc3)n2)n(C)c1=O 32859215 HVMWCHDNPNAYHS-UHFFFAOYSA-N 440.485 1.359 0 40 IDAB O=C(c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)N1CC[C@@H]2CCCC[C@H]2C1 33028336 PEKWXEMBVPWZPH-RYQLBKOJSA-N 440.587 1.804 0 40 IDAB CCOC(=O)[C@@H]1CN(Cc2cnc(N(C)C)nc2)C[C@]12COc1ccccc1C(=O)N2 72334309 ORZHNMGRMGVYQP-JTSKRJEESA-N 425.489 1.099 0 40 IDAB O=C(CN1CCN([C@H](C(=O)N2CCOCC2)c2ccccc2)CC1)Nc1cccc(F)c1 84519420 VSGBUCMQTNXSTR-QHCPKHFHSA-N 440.519 1.982 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4[C@@H](c5ccco5)c5sc(=O)[nH]c5S[C@@H]43)[C@H]2C1=O 101175879 VEAZGPPZOQXRGA-KHQWTWAOSA-N 432.479 1.587 0 40 IDAB COC(=O)c1cc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc(C(=O)OC)c1 223339588 RZOJTXYHOONNOW-UHFFFAOYSA-N 434.426 1.814 0 40 IDAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 248022376 ILUWIESYGDYJCK-STQMWFEESA-N 433.921 1.870 0 40 IDAB C[C@@H](C(=O)N1CCC[C@@H](C)C1)N1CC[C@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 253374507 MOJNBVJGCKZROS-VWKPWSFCSA-N 434.562 1.746 0 40 IDAB Cc1cn([C@@H]2CN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)C[C@H]2O)c(O)nc1=O 257276621 NUMZWRNBTISBIL-ZIAGYGMSSA-N 437.378 1.070 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1 585147616 HBAVFHFLBHPDPN-UHFFFAOYSA-N 435.527 1.901 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CCCCCn2nnc3ccccc3c2=O)cc1 2932876 PZDKMOKWYJXHOU-UHFFFAOYSA-N 443.529 1.358 0 40 IDAB O=S(=O)(c1ccc(OC[C@@H](O)CNCc2ccco2)c(Cl)c1)N1CCOCC1 3293460 WGZVLJQLIGVFHQ-AWEZNQCLSA-N 430.910 1.483 0 40 IDAB COC(=O)c1c(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2)sc(C)c1C 3369005 AUHRXNCTPDRLSK-UHFFFAOYSA-N 440.499 1.612 0 40 IDAB NC(=O)CSCSCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 8870404 PXEWOUMNSCNWFJ-UHFFFAOYSA-N 427.533 1.125 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1 9315399 VJYUWJRDNITVNZ-UHFFFAOYSA-N 438.527 1.593 0 40 IDAB CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 10601368 NZCFUTSVEQNACS-CYBMUJFWSA-N 434.470 1.575 0 40 IDAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 10734304 ZKJANBXPNILKEK-FCEWJHQRSA-N 438.546 1.948 0 40 IDAB CC(=O)N1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 11613362 OJSXTTVSCLIOKA-MRXNPFEDSA-N 438.513 1.310 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2cccc(C)c2)n(C)c1=O 12231702 ZNDKUDRQEWYWQZ-UHFFFAOYSA-N 436.472 1.229 0 40 IDAB O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)CN21)NCc1cccs1 12530501 WVHJORGZHLUPLB-SCTDSRPQSA-N 441.557 1.908 0 40 IDAB biogenic,in-vitro CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O 12908996 MMWGXEPVOLVULZ-UHFFFAOYSA-N 429.521 1.601 0 40 IDAB COC(=O)[C@@H](CCSC)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 12950276 ZOLRMWMKSGPSRS-GFCCVEGCSA-N 428.454 1.395 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 12987642 CQAODKQEZXXXNF-UHFFFAOYSA-N 435.462 1.400 0 40 IDAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCc2ccccc21 13693125 YTJBDRRFEQJTCQ-UHFFFAOYSA-N 436.511 1.903 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(=O)[nH]c1=O 14654963 YJNGNGUHIHJYAB-MRXNPFEDSA-N 427.505 1.239 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)OC(C)(C)C)c2)CC1 14675370 IEMYLMXYWYKUNB-UHFFFAOYSA-N 426.491 1.038 0 40 IDAB COc1ccccc1-n1nnnc1SCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 15410988 VGDRDOMZKHSHNR-CQSZACIVSA-N 439.563 1.435 0 40 IDAB O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@H](Cc1ccc(O)cc1)N[C@@]21C(=O)Nc2ccccc21 16026543 RCCFYGVMSRDYLO-BYPPRKSQSA-N 447.491 1.534 0 40 IDAB biogenic O=C(Cn1cnc2sccc2c1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 17846329 ZFJCWEFICFLKBM-UHFFFAOYSA-N 432.527 1.132 0 40 IDAB Cn1cc(-c2cccnc2)c(S(=O)(=O)N2CCN(C(=O)Cc3cccs3)CC2)n1 19290264 USSQAKPBTGBVQT-UHFFFAOYSA-N 431.543 1.619 0 40 IDAB COc1cccc(C(=O)NCCc2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)c1 19697810 JEGRWZXSDYKLCS-UHFFFAOYSA-N 439.516 1.530 0 40 IDAB O=C(Cc1ccc(F)cc1)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 19697833 GJCBJNTXRASWGO-UHFFFAOYSA-N 441.507 1.590 0 40 IDAB CCN(CC)S(=O)(=O)N1CCCC[C@@H]1c1nc(C)ncc1C(=O)N1CCOCC1 19767014 VXDKWYBIBRPLCA-QGZVFWFLSA-N 425.555 1.371 0 40 IDAB COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20565758 SCWXIHJWDBJOSQ-MTXNFPGFSA-N 437.471 1.825 0 40 IDAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCN(C(=O)CN2CCOCC2)CC1 22091059 LFWYCBINDQGJBF-NRFANRHFSA-N 433.593 1.509 0 40 IDAB COCCN(CCOC)CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 23329965 RPVNUTBMQOBQCW-UHFFFAOYSA-N 427.567 1.785 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)CC1 23417696 WFXNYEBJCOJMSE-UHFFFAOYSA-N 427.482 1.200 0 40 IDAB Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 29800836 MZYCXSJZPLJDTI-QGZVFWFLSA-N 426.926 1.129 0 40 IDAB COCCCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)CC1 32797402 GBZKUVRYJXHWII-HNNXBMFYSA-N 426.945 1.446 0 40 IDAB CN(Cc1ccc(Br)cc1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 32826348 APJCEBSJNZWWCM-ZFWWWQNUSA-N 429.336 1.443 0 40 IDAB CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc(C(=O)NC)c1C 36724066 UOQUQNTXLCQZNV-NSHDSACASA-N 431.536 1.203 0 40 IDAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48333391 GTLMSCPVVMZUAD-GOSISDBHSA-N 434.562 1.423 0 40 IDAB CCCn1ncc(C(=O)N2CCC[C@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)c1C 57730158 OQFFRTLIIHVILQ-AWEZNQCLSA-N 431.522 1.463 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cc3c(cc2Cl)OCCO3)C[C@@H](C)O1 65575613 TVPBVICOEOHNTK-TXEJJXNPSA-N 433.914 1.672 0 40 IDAB COc1cc2c(=O)n(CCO)c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c2cc1OC 71280290 VRYUGMANIITXTK-UHFFFAOYSA-N 433.848 1.465 0 40 IDAB CC1=C(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)N(c2ccccc2Cl)CO1 95829406 OSIDWIDMHJFBPU-SUYBPPKGSA-N 437.905 1.997 0 40 IDAB COc1ccc(-c2nn(CC(=O)NCCCn3nc(C)cc3C)c(=O)cc2OC)cc1 96183115 YAFMRLISOUQUQB-UHFFFAOYSA-N 425.489 1.947 0 40 IDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3CCN(c4ccccn4)CC3)C2=O)cc1 96231548 AFVYKSYSZAANJG-IBGZPJMESA-N 437.500 1.292 0 40 IDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 102667409 NJPNUCMJQFVLFA-KDURUIRLSA-N 445.541 1.297 0 40 IDAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N1CCN(C(C)=O)CC1)NC2=O 247954329 RXERCYCOZWSBFI-QIEVIBBNSA-N 427.501 1.641 0 40 IDAB O=C(NCc1cccc(F)c1)NC[C@H]1CCc2ncc(C(=O)NCCN3CCCC3)n21 306137894 RJKWEJXTLILKNN-GOSISDBHSA-N 428.512 1.835 0 40 IDAB CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)s1 390828585 BHPXXCJYSJJFIN-AWEZNQCLSA-N 429.545 1.652 0 40 IDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 408693137 JBOMLTXDOXQZJN-UHFFFAOYSA-N 434.470 1.755 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 408704746 SETNLACVSAGKSE-UHFFFAOYSA-N 441.506 1.262 0 40 IDAB COc1ccc(Nc2nc(=[N+]3CCOCC3)[nH]c(N)c2S(=O)(=O)c2ccccc2)cc1 409416089 KJYAYKUHKUCGHN-UHFFFAOYSA-O 442.521 1.379 0 40 IDAB Cc1noc(C)c1C(=O)N1CCO[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 585107002 NONIVOJFEUNZHJ-XXBNENTESA-N 426.517 1.690 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)COc3ccc(F)c(Cl)c3)[C@H]2O)CC1 1615075999 HMTHUKTUFXZXNH-QWFCFKBJSA-N 427.904 1.420 0 40 IDAB O=C(OCn1nnc2ccccc2c1=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 2661668 NBKCKDHZJPEMOO-KRWDZBQOSA-N 448.888 1.799 0 40 IDAB Cn1c(=O)c(C(=O)CSc2nnc3n2CCCCC3)c(N)n(Cc2ccccc2)c1=O 9507499 IKQPIXGYXCXYPS-UHFFFAOYSA-N 440.529 1.470 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCc2ccccc2C1 11906111 KJMUOZYOCAPMKY-UHFFFAOYSA-N 436.511 1.509 0 40 IDAB Cc1cc(C)cc(-n2nnnc2SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 12603497 DDZDDRFDXMDVTK-UHFFFAOYSA-N 426.506 1.209 0 40 IDAB NC(=O)c1ccccc1NC(=O)COC(=O)CCNC(=O)CCC(=O)c1cccs1 16046733 WTRJAMPNCCPKMF-UHFFFAOYSA-N 431.470 1.498 0 40 IDAB C[C@@H](C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C)n1ncc2ccccc2c1=O 19078146 DRYFCWVGOALEEO-HNNXBMFYSA-N 432.484 1.551 0 40 IDAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCCN4CCOCC4)C3)c2N)cc1 19213169 IODSLONGBRWZQA-SFHVURJKSA-N 425.533 1.907 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@]3(CCc4ccccc4C(=O)N3)C2)cc1OC 19561357 JZAKQLWTCIATET-KSFYIVLOSA-N 446.525 1.432 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccc(C)s3)C1)C2=O 19699754 XJQPIGPRYRSVEJ-OAHLLOKOSA-N 432.546 1.984 0 40 IDAB COCCC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)C1 19743296 ASSUYMKTOHMMDY-LLVKDONJSA-N 428.411 1.394 0 40 IDAB COc1ccccc1[C@@H]1N=C2NCN(N3CCN(C)CC3)CN2c2nc3ccccc3n21 20220175 VKWVLZJQWXXAJN-OAQYLSRUSA-N 432.532 1.750 0 40 IDAB CC(=O)N1CCN(c2ccnc3c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n3C)CC1 23108449 ASLBGCGPPSIFGU-UHFFFAOYSA-N 427.892 1.465 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc(N2CCCCC2)cc1 23302486 GSOQGAVSSBIGNO-UHFFFAOYSA-N 429.565 1.092 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 36357749 UIGMHDHZHLIGTH-CQSZACIVSA-N 445.497 1.700 0 40 IDAB COc1ccc2cc([C@@H]3CC(=O)Nc4c3c(C)nn4-c3ccc(=O)[nH]n3)c(=O)n(C)c2c1 36359078 YPAPKZWKENQQLY-AWEZNQCLSA-N 432.440 1.599 0 40 IDAB CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@H](c3ccc(OCC)cc3)NC(=O)N2)CC1 67287209 QJONBMQRHZFGGN-IBGZPJMESA-N 446.504 1.640 0 40 IDAB CCc1nnc(NC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)s1 72326736 UGKBONPSYCMVEU-ODXCJYRJSA-N 429.502 1.959 0 40 IDAB COc1ccc(NS(=O)(=O)N(C)[C@H](C)C2CC2)cc1S(=O)(=O)N1CCOCC1 79001750 PNWHHKFCQTZSOS-CYBMUJFWSA-N 433.552 1.103 0 40 IDAB CC(C)CN1C[C@@]23CN(C(=O)NCCc4ccc(F)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146086 XAIZPBGVCDNPGJ-HBFSDRIKSA-N 425.526 1.591 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)NCCN4CCCC4)=NO3)C2)cc1 96225590 NOYFLRMQDYDJFC-QFIPXVFZSA-N 448.589 1.932 0 40 IDAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCSc1ncn[nH]1 222627833 LKKPDOOEGPRWMD-UHFFFAOYSA-N 439.563 1.703 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)ccc1OC 223904907 SELZIRACKVQYBK-UHFFFAOYSA-N 446.485 1.934 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCOc1ccccc1 225104248 IRSZDBVLTOTVDT-UHFFFAOYSA-N 448.541 1.844 0 40 IDAB COCCn1cnc2cc(C(=O)N(C)C[C@]3(O)CCCN(c4cc(C)ncn4)C3)ccc21 257282039 OSBUMIRGMFTOSP-HSZRJFAPSA-N 438.532 1.885 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1Cl 408590589 HXDQOHQRZJVEQW-UHFFFAOYSA-N 445.969 1.198 0 40 IDAB O=S1(=O)CC[C@@H](N2CCC(NS(=O)(=O)c3ccccc3Br)CC2)C1 575414440 JMFYXFKFTITIQZ-CYBMUJFWSA-N 437.381 1.379 0 40 IDAB CN1C(=O)COc2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)cc21 1544268279 KFXJYWGTOKXWPN-QAPCUYQASA-N 427.432 1.324 0 40 IDAB O=C1c2ccccc2C(=O)N1CCCN1CCN(c2ccc(N3CCOCC3)nn2)CC1 2087145396 PTHAWIXYTLASJV-UHFFFAOYSA-N 436.516 1.122 0 40 IDAB CCn1cc(N2CCC[C@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)c(=O)n(CC)c1=O 2298200132 VUTLUHSIDNPLEM-AWEZNQCLSA-N 439.438 1.862 0 40 IDAB O=C(CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3)N1CCOCC1 2445959 BPXZNKWJLKDWQC-UHFFFAOYSA-N 429.531 1.720 0 40 IDAB CS(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 6177108 VKLDOAVTDPNPHJ-UHFFFAOYSA-N 439.559 1.126 0 40 IDAB NC(=O)[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c2ccccc2O1 8706762 OZJGNSIICWCMBZ-QGZVFWFLSA-N 446.389 1.978 0 40 IDAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 9550957 JZYUPZQHUUKQJF-CQSZACIVSA-N 443.481 1.888 0 40 IDAB CC(=O)N1CCN(C(=O)C(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)CC1 9569096 MANHCUTXIFHULN-UHFFFAOYSA-N 440.529 1.116 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1cccs1 9634191 OKTHHVDRLIDSLQ-UHFFFAOYSA-N 438.527 1.802 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2c1=O 9673531 WVSINKOUQRKAJX-UHFFFAOYSA-N 436.512 1.915 0 40 IDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 10382251 WWDUFLGELUPDEQ-CQSZACIVSA-N 434.967 1.822 0 40 IDAB O=C(CN1Cc2ccccc2C1=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142351 JXXQXGPIPRJMQV-UHFFFAOYSA-N 426.498 1.365 0 40 IDAB COc1ccc(CNC(=O)CN2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)cc1 12142385 KHIJVSVOLNBEDC-UHFFFAOYSA-N 430.530 1.508 0 40 IDAB Cc1cccc2c1NC(=O)[C@@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 16032935 AKRMSGHMOGSAMH-NRGSMNHXSA-N 446.507 1.224 0 40 IDAB biogenic C[C@@H](N[C@H]1CCS(=O)(=O)C1)C(=O)N(C)Cc1nc(C2CC2)ncc1-c1ccccn1 19077455 INQWAPWCJAPJKZ-ZBFHGGJFSA-N 429.546 1.540 0 40 IDAB CCOCCN(CC)c1nccc(CN2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)n1 19526599 KHSSOIIKYHEJCF-UHFFFAOYSA-N 441.580 1.971 0 40 IDAB CN(C)C(=O)[C@H]1CN(CCOc2ccc(F)cc2)C[C@@]12COc1ccccc1C(=O)N2 19581110 KCLIPZWUXSLZTO-AUSIDOKSSA-N 427.476 1.786 0 40 IDAB COCCNC(=O)c1cc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)nc2ccccc12 19762669 KJOWODBIPQKVQE-OAHLLOKOSA-N 435.484 1.334 0 40 IDAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 20485155 RRDBUKHLYGZRPO-UHFFFAOYSA-N 449.554 1.509 0 40 IDAB C[C@H](OC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C(=O)Nc1ccc2c(c1)OCO2 23818822 RHSJNJKMJYRHSV-XMHCIUCPSA-N 439.424 1.753 0 40 IDAB Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1F 34718224 VYXDBHWOXGIXFK-UHFFFAOYSA-N 449.504 1.850 0 40 IDAB O=c1c(-c2ccc(Cl)cc2)coc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12 35878029 PIIJBWCFNYXGGN-MYGYKHERSA-N 434.828 1.292 0 40 IDAB CC(C)CC(=O)N1CCC(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)CC1 48356057 BYGSSEPZLCNXNT-FQEVSTJZSA-N 448.589 1.903 0 40 IDAB O=C(NCc1ccccn1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945239 PWDYNAAHJYWPBZ-NRFANRHFSA-N 433.512 1.971 0 40 IDAB CC(C)n1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C 56966697 AQTHBXRSRLXOAJ-UHFFFAOYSA-N 430.940 1.990 0 40 IDAB COc1ccc(CN2C[C@H](C(=O)N(C)C)[C@]3(COc4ccccc4C(=O)N3)C2)c(OC)c1 72334332 QIHDLZSGZMPIAO-NTKDMRAZSA-N 439.512 1.785 0 40 IDAB COc1ncnc(N(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 79061321 ZTKOXGNYKLGNIL-ZIAGYGMSSA-N 449.533 1.601 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C)CC1 95464879 IPEIHWBCFPQXOF-PKOBYXMFSA-N 430.549 1.437 0 40 IDAB CC(C)CS(=O)(=O)N1CCC2(CC1)CC1(CCN(c3ncccn3)CC1)C(=O)N2C 96143685 QCOCOOBABZTYLU-UHFFFAOYSA-N 435.594 1.746 0 40 IDAB O=C(NCCN1CCN(C(=O)CCC2CCCC2)CC1)c1nc2ccccc2c(=O)[nH]1 96838475 AQNJQCQRONBOLZ-UHFFFAOYSA-N 425.533 1.768 0 40 IDAB CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1n1nc(-c2ccccc2)n(C2CCCC2)c1=S 98037141 HJKQNVULGADNMX-JAYZULETSA-N 448.545 1.312 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCC[C@@H](C)C2)cc1OC 224395792 AODCZLZCTHITKV-MRXNPFEDSA-N 427.567 1.563 0 40 IDAB CCCc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2ccc3c(C(N)=O)ccnc32)C1 257285300 PGMWBURASQFGTG-WOJBJXKFSA-N 446.511 1.882 0 40 IDAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)c1 408664287 ZHVPUEPIOXSRCA-GOSISDBHSA-N 437.452 1.873 0 40 IDAB CN(C)c1nc(CNC(=O)c2ccccc2OC(F)(F)F)nc(N2CCOCC2)n1 575607643 VOUACJXKFINXPX-UHFFFAOYSA-N 426.399 1.603 0 40 IDAB O=C(C[C@H]1C[C@H]2O[C@H](CNCc3cnccc3Cl)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 604381656 JPTLQBBHSBSQBD-NLXHMFRLSA-N 449.910 1.956 0 40 IDAB biogenic,in-vitro C[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)Cn2ccnc2)CC(=O)N1 643559602 ZQIKNAZIEWIVNT-OAHLLOKOSA-N 447.923 1.472 0 40 IDAB COc1ccc(-c2cc(=O)n(CC(=O)N3C[C@H]4CN(c5nccs5)C[C@H]4C3)cn2)cc1 1888922144 VWBGQKJUZWEWMG-CALCHBBNSA-N 437.525 1.970 0 40 IDAB C[C@@H]1CCCN(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)C1 930446 WPOXJESAINJXBA-OAHLLOKOSA-N 441.557 1.833 0 40 IDAB COC[C@H](C)n1c(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O 2619596 OHODDAOJSYKKKF-UONOGXRCSA-N 439.559 1.342 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)cc1 3272471 BAFNFFMBCCOADN-UHFFFAOYSA-N 427.276 1.821 0 40 IDAB CC(C)C[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1)C(=O)O 4074115 LFGKSTXMMGLRGH-ICSRJNTNSA-N 428.533 1.892 0 40 IDAB biogenic CC(C)NC(=O)NC(=O)CN1C(=O)N[C@](C)(CCc2ccc(OC(F)F)cc2)C1=O 9513241 HZEVMYUNTHKPFI-LJQANCHMSA-N 426.420 1.765 0 40 IDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCC(C(=O)N2CCCCCC2)CC1 9596352 XGJUQLQTISOTNP-UHFFFAOYSA-N 446.573 1.756 0 40 IDAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)n1 9822211 JZPOQXWBRPQJSW-AWEZNQCLSA-N 436.472 1.827 0 40 IDAB COCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cn(C)nc1OC 12872673 GTSIJSBBOARVBR-UHFFFAOYSA-N 446.489 1.793 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3CO)CC2=O)cc1 12881840 GTDKPPDIHTZNQJ-QRFRQXIXSA-N 431.533 1.562 0 40 IDAB biogenic Cc1nonc1C(=O)N1CC[C@@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)C1 19761403 AINQKZYZYLCUMO-MRXNPFEDSA-N 434.500 1.944 0 40 IDAB O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)Nc3cccc(F)c3)c2)C1 31773037 LWFQGBZZIYKJSL-INIZCTEOSA-N 433.504 1.587 0 40 IDAB COc1cc2ncn(CC(=O)N[C@@H](CCSC)C(=O)NC(C)C)c(=O)c2cc1OC 32123892 XKAPWVZKWNPFSX-AWEZNQCLSA-N 436.534 1.176 0 40 IDAB biogenic Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 32927517 GBCWIIKMGBOICL-INIZCTEOSA-N 430.592 1.525 0 40 IDAB COc1ccc(NC(=O)C(=O)NCCn2nc(C)cc2C)cc1N1CCCCS1(=O)=O 40285095 ZPHYWBISDQEVHO-UHFFFAOYSA-N 449.533 1.193 0 40 IDAB COc1ccc([C@@H](C)NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)cc1 57522462 RKEUEEBPTQHYFY-CYBMUJFWSA-N 443.529 1.643 0 40 IDAB Cc1oc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc1S(=O)(=O)N1CCCC1 65577576 VXGZJUJVAJICSJ-CQSZACIVSA-N 427.548 1.414 0 40 IDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1OC 67286481 YUHWIZTVTWNHOQ-KRWDZBQOSA-N 435.477 1.216 0 40 IDAB Cc1nccn1-c1ccc(=O)n(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 70641035 LKUZMHGQKBZKJM-UHFFFAOYSA-N 427.408 1.735 0 40 IDAB CC1(C)[C@@H](C(=O)O)N2C(=O)[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@H]2[S@@]1=O 104222445 KFMXQHTUJPHSSN-MUYMFHBBSA-N 426.494 1.466 0 40 IDAB C[C@H](C(=O)NCCOCc1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224113429 RLAZOXFDBMAQSJ-MRXNPFEDSA-N 434.514 1.945 0 40 IDAB CC(C)[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C[C@H]([C@H]2C=C[C@@H](C)C2)C1=O 245229368 WBHZECPWZFPNII-QOIYZWAUSA-N 433.530 1.884 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCCCN1CCOCC1 408597052 VYJQRKVHDDMMON-UHFFFAOYSA-N 445.969 1.342 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCCN1CCOCC1 408626989 WZWZQPQJEXECEP-UHFFFAOYSA-N 439.578 1.469 0 40 IDAB NS(=O)(=O)c1ccc(N2CCN(CC(=O)NCCc3c(F)cccc3F)CC2)cc1 525788116 PNDXVPOBMKBXHC-UHFFFAOYSA-N 438.500 1.093 0 40 IDAB Cc1ccc2ncc(-c3nc(-c4ccc(C(=O)N5CCN(C)CC5)nc4)no3)c(=O)n2c1 546473367 MMFWIFXKXHPSAJ-UHFFFAOYSA-N 431.456 1.503 0 40 IDAB COCCNS(=O)(=O)c1cccc(CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)c1 556250161 SNNIITIFOPKEOP-UHFFFAOYSA-N 431.514 1.771 0 40 IDAB COc1ccc(S(=O)(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cc1OC 575610989 CXUSXYYEBMAKNT-UHFFFAOYSA-N 445.494 1.322 0 40 IDAB O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CN2CCN(c3ccccn3)CC2)C1 585283182 CYLRKNPSENBFSE-SIKLNZKXSA-N 430.936 1.495 0 40 IDAB O=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1546253724 ZNUMPDCKFLDPJE-UHFFFAOYSA-N 441.513 1.724 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888935236 GGQOYKUVKPZXLJ-CHWSQXEVSA-N 448.936 1.782 0 40 IDAB COCCCn1c(C)cc(C(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1C 3433193 HKYPKHVBKKRYCN-UHFFFAOYSA-N 447.513 1.606 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)NC(=O)c2cccn2C)C(C)C)cc1 3441723 IHKBPSSXBCVPGK-SFHVURJKSA-N 435.502 1.136 0 40 IDAB Nc1cc(N)nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 8814328 QJZDUNXPBYPEMK-UHFFFAOYSA-N 437.532 1.629 0 40 IDAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)n1 8915157 CAYNKEUVAAIJJF-NSHDSACASA-N 447.922 1.346 0 40 IDAB CN1C(=O)NC(=O)[C@]2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4[C@@H]32)C1=O 9013839 VTWJVPLTMXFFRO-UZUQRXQVSA-N 429.436 1.049 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)cc1 9245229 JKUTVYYFNMRTIQ-UHFFFAOYSA-N 429.502 1.962 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(=O)Nc3ccncc3)C2)cc1 9344591 GFZDYYITHCLYJV-INIZCTEOSA-N 446.529 1.636 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1n[nH]c(N)n1 9603996 SEUAAGRZVCSSDD-UHFFFAOYSA-N 440.551 1.691 0 40 IDAB O=S(=O)(c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1)N1CCCC1 9711819 GTWBSIVWGUAMHD-UHFFFAOYSA-N 430.530 1.917 0 40 IDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9910783 WAAFWBRRJPJGDV-UHFFFAOYSA-N 444.488 1.528 0 40 IDAB COc1ccc(OC)c(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)c1 11758052 GJIMNVIYVHMDRQ-UHFFFAOYSA-N 431.474 1.084 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2ccc(C)nc2)C[C@@H]1C(=O)N(C)C 12125485 BZTNCSJYHFDWCU-YKSBVNFPSA-N 436.512 1.674 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnnn1-c1ccccc1)n2CC 12539427 LCJVRPDRYGCBQY-UHFFFAOYSA-N 426.506 1.974 0 40 IDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12549977 BIOZVNHQZRVSSE-HDICACEKSA-N 431.514 1.751 0 40 IDAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 12576727 KBUPQZYDHGIJNE-UHFFFAOYSA-N 444.557 1.468 0 40 IDAB C[C@H](c1ccccc1)N(C)C(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12927143 YBOKMHDVJABXMA-OAHLLOKOSA-N 432.546 1.744 0 40 IDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1 13020584 CJLKYVJWOHYALP-OAHLLOKOSA-N 429.564 1.471 0 40 IDAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)N1CCN(c2ncccn2)CC1 13126830 XGQGTOGNMRBWRK-MRXNPFEDSA-N 440.485 1.813 0 40 IDAB CCOC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)CC1 13371358 AKFHZNGFJUPSQM-ROUUACIJSA-N 429.560 1.209 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)C2CCCC2)cc1 13502877 CMOVJQRWHLUVGC-UHFFFAOYSA-N 433.530 1.954 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 17011517 VPOFVGDOSRDAKT-HOCLYGCPSA-N 432.502 1.551 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3cccc(C)c3)C1)C2=O 19699739 YTQQGTLESNQHJU-IBGZPJMESA-N 440.544 1.852 0 40 IDAB COCCNC(=O)c1cc([C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C2)nc2ccccc12 19762485 IWTFLGRLQPIBON-KRWDZBQOSA-N 449.511 1.492 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)c1 20030845 MNVOULSFNWBISS-UHFFFAOYSA-N 439.559 1.196 0 40 IDAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23074086 FCFXIAUXWZKLSU-DOTOQJQBSA-N 435.502 1.348 0 40 IDAB Cc1ccc(NC(=O)Cn2nc(C3CCN(S(C)(=O)=O)CC3)n(C)c2=O)cc1Cl 23141106 DETAPKVWCDKCGP-UHFFFAOYSA-N 441.941 1.321 0 40 IDAB O=C1C[C@@H](N2CCN([C@@H]3CC(=O)N(c4ccccc4)C3=O)CC2)C(=O)N1c1ccccc1 23358707 JMZMOIGUGYEDAE-WOJBJXKFSA-N 432.480 1.268 0 40 IDAB Cc1cc(C(=O)OCC(=O)N2CCN(c3ncccn3)CC2)c(C)n1CC(F)(F)F 25825979 OMGSWYYLCLVKIF-UHFFFAOYSA-N 425.411 1.963 0 40 IDAB CC(=O)OC1[C@@H](OC(C)=O)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@@H]1OC(C)=O 28539570 MYQGCBXRGIEDNW-HUUCEWRRSA-N 432.212 1.662 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(N2CCOCC2)cc1 36379769 KKCMKVOGFXSTIT-UHFFFAOYSA-N 444.557 1.468 0 40 IDAB COc1cccc(C[C@@H](C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)n2nnnc2C)c1 40120297 MVLCTDLGDCHDFZ-SFTDATJTSA-N 428.537 1.487 0 40 IDAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 58077639 VQKLYJVPNWQOCB-LJQANCHMSA-N 430.505 1.929 0 40 IDAB CCOc1ncccc1C(=O)NCC(=O)Nc1cnn(C(=O)c2cccnc2OCC)c1 69452414 XFFDAMLUUSLXIE-UHFFFAOYSA-N 438.444 1.528 0 40 IDAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)C[C@H]1C(=O)NC[C@H](c1ccco1)N(C)C)c1ccco1 79067408 BUESQAGEPDYOBN-QGFMHUBQSA-N 444.532 1.606 0 40 IDAB O=C(Nc1ccccc1-c1ccc(=O)[nH]n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90613895 SWFHSCCCBCCFIO-UHFFFAOYSA-N 440.481 1.710 0 40 IDAB CN1CCN(C(=O)Cn2ccc(NC(=O)NCCc3cc(F)cc4c3OCOC4)n2)CC1 95406040 ITVUJRUCJFLICP-UHFFFAOYSA-N 446.483 1.027 0 40 IDAB COCCNS(=O)(=O)c1ccc(NCCc2ccc(OC)c(OC)c2)c(C(=O)O)c1 217598057 QQAXFZFSPATFHT-UHFFFAOYSA-N 438.502 1.981 0 40 IDAB COC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)CC1 220239916 ARANMGQBTWGHEM-CYBMUJFWSA-N 428.507 1.270 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 223286700 BBGJDQOCPMXHLA-UHFFFAOYSA-N 447.513 1.427 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225200038 JJUYITLGRBWJLC-HNNXBMFYSA-N 447.513 1.345 0 40 IDAB O=C(NCCn1cc(-c2nc(-c3cccnc3)no2)nn1)c1cncc(Br)c1 245020812 MIJOEFJYQOVQMW-UHFFFAOYSA-N 441.249 1.978 0 40 IDAB CN1CCO[C@](Cc2ccccc2)(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)C1 257328203 XEPIHPWCMGZVPW-RDGATRHJSA-N 436.556 1.128 0 40 IDAB CN1C[C@@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(C(=O)c3ccn(C)n3)CC2)C1 306131925 KTHHFSOYCKCYFK-FQEVSTJZSA-N 425.533 1.384 0 40 IDAB CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccncc3)cn12 306139209 SSDDTWXFNYEKPK-SFHVURJKSA-N 429.488 1.337 0 40 IDAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2C)C1 408661987 WPLAVGKZUKGRAG-HNNXBMFYSA-N 425.441 1.679 0 40 IDAB O=C1CC[C@@H](c2nc(CNS(=O)(=O)c3ccc(F)cc3)no2)N1Cc1ccncc1 1775964258 ZBHJDQLFSSNVST-INIZCTEOSA-N 431.449 1.946 0 40 IDAB biogenic,in-vitro CN(Cc1cnc2n1CCOC21CCN(C(=O)c2cccc(=O)n2C)CC1)CC1CC1 2055794352 OHBFURXFUXOJFJ-UHFFFAOYSA-N 425.533 1.585 0 40 IDAB Cc1c(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 3315789 GCNJCUUAOBHZNQ-LJQANCHMSA-N 447.495 1.976 0 40 IDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 3426733 ZROMIXYVWRLPEA-KSSFIOAISA-N 434.518 1.218 0 40 IDAB CC(C)C[C@H](C(=O)NC(C)(C)C)N(C[C@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N 6190441 GXOAYZPJQNCWMT-CHWSQXEVSA-N 439.582 1.775 0 40 IDAB CCOC(=O)c1ccc(N2CCCn3c2nc2c3c(=O)n(CCOC)c(=O)n2C)cc1 8704281 LTIWNDPMFIGTIA-UHFFFAOYSA-N 427.461 1.262 0 40 IDAB NC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1 9317797 QCFIFQJMINJFAC-UHFFFAOYSA-N 436.877 1.556 0 40 IDAB CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Br)o1 10129039 RQMDFFCRHMQBOC-SECBINFHSA-N 432.296 1.199 0 40 IDAB CCOC(=O)c1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc(=O)[nH]c1C 10213750 JYANOTFBYYDOFL-UHFFFAOYSA-N 435.502 1.723 0 40 IDAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCN(c2ccccn2)CC1 10222733 WFJXQIUTVZSMHZ-UHFFFAOYSA-N 429.484 1.785 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccc(Cl)cc1 11906104 KBMXBISGMOVCBZ-UHFFFAOYSA-N 444.918 1.894 0 40 IDAB Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2ccc(Br)cc2)=C1 12155221 HCMDGUMWLQYPCQ-UHFFFAOYSA-N 438.307 1.993 0 40 IDAB COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(F)cc2)n(C)c1=O 12231758 UAVCHTQCDORVLW-UHFFFAOYSA-N 426.452 1.533 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)n2N)cc1 12348252 XANHJJPVRNMXIR-UHFFFAOYSA-N 439.497 1.850 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)CC1 12361055 NYUYXIKHDFKYNA-UHFFFAOYSA-N 430.483 1.330 0 40 IDAB O=C(CN1CCN(C(=O)CN2CCN(c3ccccc3)CC2)CC1)Nc1cccc(F)c1 12608190 LTFAQZDTTZGMOQ-UHFFFAOYSA-N 439.535 1.731 0 40 IDAB Cc1ccc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 13039132 XDEQDZRWXKKRMY-UHFFFAOYSA-N 443.548 1.844 0 40 IDAB CCOC(=O)C1=C(CN(CC)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)NC(=O)N[C@H]1C 13059974 ZBKNYCAOSYPIRC-NSHDSACASA-N 433.896 1.917 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c1C 13100628 XBSSAZBFTDEIQQ-LBPRGKRZSA-N 447.469 1.271 0 40 IDAB COc1ccccc1CCNC(=O)CSc1nc2nc(C)c(CC(=O)O)c(C)n2n1 13222467 WSHJXJNBYJVEKY-UHFFFAOYSA-N 429.502 1.828 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 16695767 MROFOJPCXWGULK-HNNXBMFYSA-N 425.441 1.388 0 40 IDAB Cc1ccc2cc(C(=O)N[C@H](C)C(=O)N3CCC[C@H](C(=O)CS(C)(=O)=O)C3)[nH]c2c1 19221821 RILCXGDIDMSJQF-ZBFHGGJFSA-N 433.530 1.447 0 40 IDAB CC(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19451074 HJGZRHSXOCLJMA-IRXDYDNUSA-N 438.550 1.099 0 40 IDAB CCCN1CCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 19503384 DFJNEVQUULUCRG-GAJHUEQPSA-N 427.549 1.493 0 40 IDAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCCN1CCOCC1 19696588 IPRWBWSENPGOLY-QHCPKHFHSA-N 426.517 1.714 0 40 IDAB Cn1cc2c(n1)[C@H](C(=O)NCc1ccccn1)CN(C(=O)COc1ccc(F)cc1F)C2 19701412 KPFJAZFMBLUWPL-QGZVFWFLSA-N 441.438 1.915 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1 22396128 UOGAJVJVAZLAQC-UHFFFAOYSA-N 437.543 1.292 0 40 IDAB COC(=O)Nc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 23082566 CTPDNEMCMLTVGL-UHFFFAOYSA-N 427.486 1.892 0 40 IDAB COC(=O)c1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc(C(=O)OC)c1 23131505 GXTXIMHUUKSNNP-UHFFFAOYSA-N 434.470 1.973 0 40 IDAB CN1CCC(N(C)C(=O)Cn2nc(C(=O)N3CCN(C)CC3)cc2-c2cccs2)CC1 23142214 LOMLOEOUYUCPHS-UHFFFAOYSA-N 444.605 1.552 0 40 IDAB O=C(c1cncc(Br)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 24923908 XXPVDNJFVQJPJN-KRWDZBQOSA-N 432.274 1.969 0 40 IDAB COc1cc(/C=C/C(=O)NCCCN2CCN(c3ncccn3)CC2)cc(OC)c1OC 29951706 SPSWVZOQPMJFRZ-VOTSOKGWSA-N 441.532 1.844 0 40 IDAB COc1cccc(N2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)c1 30963813 RQVGKKCBEBXEAM-UHFFFAOYSA-N 428.558 1.863 0 40 IDAB COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)N4CCNC(=O)C4)cc3s2)cc1 36357257 LSIIKCSNARTGQB-UHFFFAOYSA-N 446.510 1.678 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 38828168 NFPXJMYBRZBBSD-NSHDSACASA-N 433.852 1.333 0 40 IDAB O=C(Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O)NCc1ccc2c(c1)OCO2 44837218 JGNNPALAUNMUQY-UHFFFAOYSA-N 436.403 1.221 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 58064334 XEJHHFYBXDYRAK-IBGZPJMESA-N 440.566 1.441 0 40 IDAB O=C(C[C@@H](CN1CCN(c2ccccn2)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 61721726 PKYPCWNBUAQACD-INIZCTEOSA-N 426.473 1.704 0 40 IDAB COCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3OC)CC2)c(N2CCCC2)n1 67256858 SITNIFSBJRQEKU-UHFFFAOYSA-N 441.532 1.347 0 40 IDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)CCN[C@H]3C=CS(=O)(=O)C3)C2)C1 72334222 NTNGPNBIOSLLTB-SIKLNZKXSA-N 447.557 1.079 0 40 IDAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1nnc([C@H]2CCCO2)s1 72401947 HOUYPXNUIGVSSU-CQSZACIVSA-N 438.531 1.909 0 40 IDAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CCO1 84636632 RFFVCYOTQMSWQN-WBAXXEDZSA-N 445.520 1.247 0 40 IDAB CCC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 95979890 WKFRTCRNXHEDKF-KRWDZBQOSA-N 438.546 1.619 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)cc1 96144856 HQPBZCNHRLBCBN-IBGZPJMESA-N 444.557 1.893 0 40 IDAB CCN1CCN(CCNC(=O)[C@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 100180936 PUGIRCRHHJYSCK-ARZBDZIHSA-N 426.561 1.695 0 40 IDAB CCOC(=O)c1s/c(=N/C(=O)CCS(=O)(=O)c2ccc(OC)cc2)n(C)c1C 101117526 VFTVBMVMTVZRTH-VHEBQXMUSA-N 426.516 1.872 0 40 IDAB CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)NC1[C@H]2CC3C[C@H]1CC(C(N)=O)(C3)C2 101781461 UBAPBKDXKUTATP-OAPRPUCWSA-N 437.537 1.679 0 40 IDAB CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)ccc1OC 222913501 RVFHPWRNBWTZPF-QGZVFWFLSA-N 434.470 1.574 0 40 IDAB Cc1cn([C@@H]2CN(C(=O)CCn3c(C)nc4ccccc43)CC[C@@]2(C)O)c(O)nc1=O 257205115 AXSNBNPSLFFWFW-XMSQKQJNSA-N 425.489 1.530 0 40 IDAB CCn1c(CCC(=O)N2CC[C@@](C)(O)[C@H](n3ccc(O)nc3=O)C2)nc2ccccc21 257344191 ZWCOWUMLHPXEKS-VGOFRKELSA-N 425.489 1.476 0 40 IDAB Cc1cnc(CNC(=O)c2cn3c(nc2=O)[C@@]2(CCN(C(=O)c4ccccc4)C2)CC3)cn1 306123566 AQIXIEVGXDYOBB-XMMPIXPASA-N 444.495 1.459 0 40 IDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 408626503 ZDWBPRLFAGEUEP-UHFFFAOYSA-N 436.486 1.891 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408655496 DEPSJSPMUBSHSX-FEBSWUBLSA-N 427.457 1.548 0 40 IDAB Cc1cc(=O)n2ncc(C(=O)NCc3cccc([C@@H]4NC(=O)N[C@H]5OCCC[C@H]54)c3)c2[nH]1 409412923 LVDDEAFEHAJCJI-XERREHJYSA-N 436.472 1.368 0 40 IDAB O=C1CN(C(=O)CCC(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c2ccccc2N1 506172759 DRJJSXRNBNRQBP-HNNXBMFYSA-N 427.486 1.838 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N([C@H]2CCS(=O)(=O)C2)[C@H]2CCS(=O)(=O)C2)cc1 575423804 QIDZSZWZGWSQIN-HOTGVXAUSA-N 435.589 1.175 0 40 IDAB O=S1(=O)CC[C@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Br)cc2)C1 575424188 TUGUXSMDACLNKA-UONOGXRCSA-N 438.365 1.806 0 40 IDAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCC(=O)N3CCc4ccccc43)n(C)c2)C1 592621281 TZZBLECZZAGMBV-INIZCTEOSA-N 444.557 1.765 0 40 IDAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3nn[nH]n3)[C@H]21 604406046 ZCXSRPDVLKFJCC-SFHVURJKSA-N 449.427 1.361 0 40 IDAB biogenic COCCOC(=O)N[C@H]1CO[C@]2(CCCN(Cc3ccnc(N4CCOCC4)c3)C2)C1 2056226264 OAJWGYPNJHEMCP-DENIHFKCSA-N 434.537 1.414 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 8672186 VRLRUOHEYJCNHB-ZDUSSCGKSA-N 441.506 1.513 0 40 IDAB O=C(CNC(c1ccccc1)c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 8761955 GLBHNJDVPWMUID-NRFANRHFSA-N 427.570 1.697 0 40 IDAB O=C(c1cnn(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9223629 MZJWKPJCUWAJLB-UHFFFAOYSA-N 437.525 1.903 0 40 IDAB CCOCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 10219879 ZKQCIUIDRSDOHL-UHFFFAOYSA-N 440.909 1.435 0 40 IDAB COC(=O)C1=C(CS(=O)(=O)c2cc(OC)ccc2OC)NC(=O)N[C@H]1c1ccccc1 10273337 DKCOVNXAAAHUNP-IBGZPJMESA-N 446.481 1.959 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 11865636 ADJLKUUMIVVJMV-JEOXALJRSA-N 432.473 1.693 0 40 IDAB biogenic Nc1nc(SCC(=O)NC[C@@H]2CCCO2)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1 12033352 JRXYXGXFMXTOMU-LBPRGKRZSA-N 437.909 1.645 0 40 IDAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)NC[C@@H]1Cc2ccccc2O1 12085677 PBCZZAJPNFRQEJ-XDHUDOTRSA-N 435.480 1.638 0 40 IDAB O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)c3nonc23)CC1 12390161 FYKPTTBABFORRH-UHFFFAOYSA-N 436.877 1.788 0 40 IDAB NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12991304 PZJSTINZGCOZCT-KRWDZBQOSA-N 445.497 1.199 0 40 IDAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1C(=O)O 13393021 JYNJMPRWUUZXIH-UHFFFAOYSA-N 448.497 1.653 0 40 IDAB CCCCN(C(=O)Cc1ccc(OC)c(OC)c1OC)c1c(N)n(CCC)c(=O)[nH]c1=O 14198727 FXCODAGCCBJTGW-UHFFFAOYSA-N 448.520 1.930 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCc1nnc2ccccn12 14199110 BXRIPHNUAHBFBN-UHFFFAOYSA-N 443.407 1.613 0 40 IDAB NC(=O)COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 14245208 PEJQLHAGLCOTCV-UHFFFAOYSA-N 437.905 1.351 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 14249979 VCBYOPZGPMQTQS-UHFFFAOYSA-N 446.529 1.955 0 40 IDAB Cc1ccc2c(c1)[C@@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 15967564 FJRWKXNZDUURGR-RTRVYZKBSA-N 449.463 1.025 0 40 IDAB O=S(=O)(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 16091929 VYXJCTSOQLHZQX-UHFFFAOYSA-N 438.424 1.938 0 40 IDAB CC(=O)N1C[C@H](c2ccc(CN(C)CC(=O)Nc3nc(C)c(C)s3)cc2)[C@@H](C(N)=O)C1 19699219 FPAVQUINQLBQJF-MOPGFXCFSA-N 443.573 1.878 0 40 IDAB Cn1cc(C(=O)N2CCO[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)cn1 19762568 CENMAJHJXMIIJG-OAQYLSRUSA-N 435.484 1.654 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)s1 22875958 LQYRDGVRPRGSCW-ZDUSSCGKSA-N 425.532 1.760 0 40 IDAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23249374 HNRNZCSISRYSEH-HZPDHXFCSA-N 436.603 1.620 0 40 IDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 32747317 XNVHIHBVIYLFKZ-NSHDSACASA-N 446.872 1.518 0 40 IDAB O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2ccccc12 33040263 FFRNJPKGCICWPA-UHFFFAOYSA-N 442.497 1.201 0 40 IDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 36708442 UZMDHYIUONZSLN-HNNXBMFYSA-N 439.457 1.731 0 40 IDAB COC(=O)CNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 40051468 DYVCUGYGXUVMTM-GOSISDBHSA-N 425.441 1.959 0 40 IDAB Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)CCS(=O)(=O)c3ccccc3)n2)s1 49030827 IBNWHCMTFGRQAD-UHFFFAOYSA-N 446.554 1.964 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)c3ccccc3)CC2=O)cc1OC 58005322 OJVOMWVAOOBARE-HNNXBMFYSA-N 432.498 1.647 0 40 IDAB COc1cc(C(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)ccc1OCC(N)=O 58223958 KCCNFWGDOVFLMS-UHFFFAOYSA-N 440.500 1.589 0 40 IDAB Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 89575503 MHXXKOCRPOTGDQ-UHFFFAOYSA-N 427.456 1.390 0 40 IDAB CN1CCN(C[C@@H](O)CN(C)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 95406738 TWYISXCDROWVAC-ICSRJNTNSA-N 436.984 1.259 0 40 IDAB CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 95429231 LHTHUWNWGJVKSS-IBGZPJMESA-N 438.546 1.843 0 40 IDAB Cc1nc(-c2ccccc2F)sc1C(=O)NCCn1nc(-n2cncn2)ccc1=O 96097964 JIKMIEWKKYHEME-UHFFFAOYSA-N 425.449 1.825 0 40 IDAB C[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223892487 YTDFHBLXNMFCPK-CQSZACIVSA-N 442.534 1.868 0 40 IDAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@H](C)CC 239306271 GQMGPKYVBVSMLI-QEOTZNIISA-N 440.585 1.933 0 40 IDAB CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)C2)c1F 245053642 PEFSKJQDOFHPFZ-OAHLLOKOSA-N 446.504 1.855 0 40 IDAB C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)N[C@H]1CCS(=O)(=O)C1 245237710 SBMXHJUKBKKZGJ-SLEUVZQESA-N 438.531 1.112 0 40 IDAB CCS(=O)(=O)N1CC[C@@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306137787 RGKUZSINIODVMA-LJQANCHMSA-N 437.543 1.459 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCOCC3)C2)cc1Cl 408595692 SPWGEHDATDYGNA-OAHLLOKOSA-N 445.969 1.198 0 40 IDAB COc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1S(=O)(=O)NC(C)C 500156337 RBNFYMCJJCWIOK-IBGZPJMESA-N 431.514 1.695 0 40 IDAB COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 531205066 JBXNXKLVWMNMPV-KRWDZBQOSA-N 447.444 1.701 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2)c1 575423340 PLJHBUIFHUJOMB-HZPDHXFCSA-N 442.515 1.074 0 40 IDAB CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1=O 643557546 XQYNFDWAWDCKFD-QHCPKHFHSA-N 426.517 1.895 0 40 IDAB Cn1cc(-c2cnc(OC3CCN(C(=O)c4ccc5c(=O)n(C)n(C)c5c4)CC3)nc2)cn1 1889258084 ADUZOYYYNWLSTK-UHFFFAOYSA-N 447.499 1.751 0 40 IDAB O=C(Cc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243046 FDSCDQUOKIDJIL-SFHVURJKSA-N 425.510 1.674 0 40 IDAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1cccnc1 1850701 VLVQBCPQUOXMNL-GOSISDBHSA-N 449.320 1.200 0 40 IDAB Cc1ccccc1NC(=O)[C@H](C)NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 2126661 SOJAAJNZOAFWND-WGFFODHRSA-N 434.489 1.835 0 40 IDAB biogenic COCCNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 2308373 LXBIBBYSQIBIHV-UHFFFAOYSA-N 440.485 1.180 0 40 IDAB O=C(NC1CCCCC1)[C@H]1N(C2CCCC2)C(=O)[C@H]2[C@@H](C(=O)NC3CC3)[C@H]3C=C[C@]21O3 4895703 TUORRBUWABAHCA-NTOJSVKISA-N 427.545 1.807 0 40 IDAB COc1cc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1C 5966022 VIYGVZBWKJCELM-INIZCTEOSA-N 427.519 1.841 0 40 IDAB CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 8876275 YFYYUMMMSAYHTR-ZWKOTPCHSA-N 441.509 1.796 0 40 IDAB biogenic CCOC(=O)NC(=O)Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O 9520478 IAVSCRILOBFVNJ-UHFFFAOYSA-N 439.472 1.796 0 40 IDAB COc1cccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1OC(F)F 9642868 KKLIKYFGIJPNPJ-UHFFFAOYSA-N 430.385 1.740 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(F)cc2)n(C)c1=O 12231764 KHBONRNFKWILCO-UHFFFAOYSA-N 440.435 1.060 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)c(OC)c1 14084477 IRBNXFLCFIHNST-QXSJWSMHSA-N 434.489 1.624 0 40 IDAB COCCNC(=O)CNS(=O)(=O)c1cc(Br)ccc1Br 14199865 ZLUQKAICJODGJQ-UHFFFAOYSA-N 430.118 1.253 0 40 IDAB Cc1cc(C)c(CNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)c(=O)[nH]1 14246826 HXWWADNFTCBKSO-LJQANCHMSA-N 449.529 1.382 0 40 IDAB CC(C)CN(C(=O)CN1C[C@H](C)O[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 15350074 IBBJBLZPEMJOFZ-CALCHBBNSA-N 443.548 1.265 0 40 IDAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)cc2)c1C 17099487 DQYDSTRAERNLKZ-JJXSEGSLSA-N 435.458 1.909 0 40 IDAB CN(CC(=O)Nc1ccccc1Br)C(=O)Cn1nc(O)c2ccccc2c1=O 18019406 BBRIENJBLHHQNO-UHFFFAOYSA-N 445.273 1.962 0 40 IDAB CN(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699464 GWIQFSVVNRKXQL-UHFFFAOYSA-N 427.549 1.126 0 40 IDAB CN(C)C[C@H]1CCCN(C(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)C1 19751328 FTRMIGLAADUZPW-GOSISDBHSA-N 428.508 1.718 0 40 IDAB CCN(c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)S(C)(=O)=O 19937783 MTRHSDCIQGVHOA-UHFFFAOYSA-N 427.504 1.137 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)C(=O)N2CCN(C)CC2)cc1 22996739 NFWIBWOZAURMTI-UHFFFAOYSA-N 434.518 1.263 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCc1ccc3c(c1)OCO3)C2=O 23673120 AKBYQDGTCBSTEH-UHFFFAOYSA-N 431.445 1.075 0 40 IDAB CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 25148338 NTONMNRMBMWHAS-UHFFFAOYSA-N 437.543 1.412 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(I)cc2)C1 30850189 RUTWXWLDNKFFKS-LLVKDONJSA-N 437.303 1.748 0 40 IDAB COc1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)cc1S(=O)(=O)N1CCCCC1 32912424 ZISXPWABKYSCAZ-UKRRQHHQSA-N 428.532 1.020 0 40 IDAB CCCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc(C)ccc1C 35310817 YUNYPPYUMYPWIZ-UHFFFAOYSA-N 440.548 1.817 0 40 IDAB CCCc1nnc(S)n1CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 40024204 YRFUOQVAJJGFRJ-UHFFFAOYSA-N 429.593 1.550 0 40 IDAB COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1 57426564 YOEGNSZJWGEWIP-MRXNPFEDSA-N 429.498 1.577 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 67286744 DJBIVQZUNNYEHG-HXUWFJFHSA-N 432.521 1.512 0 40 IDAB CN(C)C(=O)CN1[C@H]2CCN(c3ncc(F)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145831 NYAMZCQYCWJLAM-HOTGVXAUSA-N 449.508 1.125 0 40 IDAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)CN4CC(=O)NC4=O)CC3)n2n1 100159413 RSCBMJWJFBDJRA-GASCZTMLSA-N 426.521 1.969 0 40 IDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 103236091 FKUOHCIYDZRNFM-BIPCEHGGSA-N 448.445 1.993 0 40 IDAB CCCCN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 105352199 UXKZVKPESZJUQE-FMAVKZBASA-N 436.306 1.350 0 40 IDAB COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CCCCC4)C3)C2=O)cc1 225395690 HSJXWTFOXOAATR-UXHICEINSA-N 441.528 1.164 0 40 IDAB biogenic,in-vitro CCS(=O)(=O)N(C)c1cccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)c1 225965488 BMQDRPDQOVTNJJ-UHFFFAOYSA-N 439.559 1.489 0 40 IDAB COc1ccc(CCN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC 230089168 ODVVGDFJWVSFSW-RTBURBONSA-N 430.526 1.761 0 40 IDAB CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C 245229905 IFAWXFBHEBGLFS-HLSAHWISSA-N 425.529 1.777 0 40 IDAB Cc1nc2ccc(NC(=O)[C@@H]3CN(C(=O)c4ccc(=O)n(C)c4)CCN3C)cc2s1 257339242 ZAXCIQRKPWWKTO-KRWDZBQOSA-N 425.514 1.698 0 40 IDAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)N[C@@H]1CCS(=O)(=O)C1 524734622 WOULUQYUSHSAAF-JLTOFOAXSA-N 439.493 1.495 0 40 IDAB CC[C@H]1CN(C(C)=O)CC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 681501182 NVJGCOMRBPLZCX-GOEBONIOSA-N 425.555 1.927 0 40 IDAB C[C@@H]1OC2(C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CN(C)C1=O 1888982171 UYDUNUHUFFRATH-IPHUQCIHSA-N 435.502 1.063 0 40 IDAB COc1ccc(F)c(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4ncc(C)cn4)C3)C2)c1 2056226584 VLHJZDYPGCVLEW-KNQAVFIVSA-N 430.480 1.609 0 40 IDAB CN1CCC2(CC1)NC(=O)N(CN1CCCN(c3ccc(C(F)(F)F)cn3)CC1)C2=O 8852312 XETYJQGNSSNLAB-UHFFFAOYSA-N 440.470 1.586 0 40 IDAB Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@]1(C3)C(=O)NC(=O)N(C)C1=O 8969872 CSZIBGKKHPBELW-XDHUDOTRSA-N 443.463 1.357 0 40 IDAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 9379248 ONDKAAJOIQQLEC-LJQANCHMSA-N 448.545 1.331 0 40 IDAB CCOCCCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 9442408 CRPKXFGPWGMYAM-QFIPXVFZSA-N 426.473 1.859 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)NC(=O)N[C@@H]1C 9462886 ADDBGSIZQUFUTF-GDBMZVCRSA-N 429.473 1.405 0 40 IDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 9540022 BVERXWHIWGGEQM-CQSZACIVSA-N 429.458 1.200 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4F)[C@H]3C2=O)cc1OC 9675581 XYWOEQOHBSNJDB-ZWKOTPCHSA-N 427.392 1.775 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCCc2ccco2)cc1 9745432 WOUGHKQODFZLTR-GOSISDBHSA-N 447.557 1.996 0 40 IDAB COCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)c(Cl)c2)n(C)c1=O 10102547 ICYRKKPTTFVYHB-GFCCVEGCSA-N 433.896 1.993 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N1 10232285 DSUFQXVRGKLNME-QGZVFWFLSA-N 436.384 1.915 0 40 IDAB CCOc1ccc(CCC2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)cc1 10675698 KDCLMHVUPNDMBS-UHFFFAOYSA-N 435.546 1.516 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)CC2)cc1 11132311 ABJBVGOCEVMJFX-UHFFFAOYSA-N 443.481 1.618 0 40 IDAB CC(=O)NCc1ccc(-c2csc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)n2)o1 12052576 OIXFNQMJKVOZDP-UHFFFAOYSA-N 447.498 1.475 0 40 IDAB COC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 14183321 FNPSBBOXQCKEIW-UHFFFAOYSA-N 441.303 1.830 0 40 IDAB C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccco1 14238079 MQRDZQAXZCPWEZ-INIZCTEOSA-N 449.529 1.625 0 40 IDAB CCN(C(=O)COC(=O)/C=C/c1cc(F)cc2c1OCOC2)[C@H]1CCS(=O)(=O)C1 17255133 OVOKTVWFHCFOHM-CWDCEQMOSA-N 427.450 1.284 0 40 IDAB CN(C)S(=O)(=O)N1CCN(C(=O)Cn2c(-c3cccs3)cc3cccnc32)CC1 19583695 BHQLEDAEPRJDRG-UHFFFAOYSA-N 433.559 1.715 0 40 IDAB O=C(NCCCN1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008271 RACUUZLSTAAMND-NRFANRHFSA-N 449.548 1.554 0 40 IDAB COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(O)cc2)N1C 22923605 RDMOORNNVQKDOS-KPYOPSEVSA-N 444.576 1.183 0 40 IDAB biogenic,in-vitro Cn1c(SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)nnc1-c1ccco1 23881998 RMLDYYTVLYJZLF-IBGZPJMESA-N 426.458 1.666 0 40 IDAB Cc1ccccc1N1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 24515685 AQTCZOIBKIPZRQ-LJQANCHMSA-N 431.489 1.773 0 40 IDAB COc1cc(OC)cc([C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2nccn2C)c1 32848066 YSXYDCQTGWEHCC-GOSISDBHSA-N 443.485 1.675 0 40 IDAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3cc(F)c(F)cc3Cl)[C@@H]2SC1 33538249 NSSOSVYNXHCEDG-LRDDRELGSA-N 446.815 1.534 0 40 IDAB CCCCS(=O)(=O)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 35598425 XVGRYJRKMJWKEY-UHFFFAOYSA-N 443.577 1.872 0 40 IDAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)NC[C@@H]1CCCN2CCCC[C@H]12 36576374 GHPGYLQPBJKRLB-UWHLTILDSA-N 440.588 1.955 0 40 IDAB O=C(c1snc2c(=O)n(Cc3ccccc3)c(O)nc12)N1CCN(c2ccccn2)CC1 49409914 DRNGSIBMDYQPLG-UHFFFAOYSA-N 448.508 1.964 0 40 IDAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCC(O)CC3)cc2c1 57594497 YDFSXWZNLRSDCK-XLIONFOSSA-N 440.504 1.248 0 40 IDAB CCOC(=O)c1ccn(-c2ccc(NS(=O)(=O)c3n[nH]cc3C(=O)OCC)cc2)n1 58017108 KBUVJOVUDIGEMB-UHFFFAOYSA-N 433.446 1.750 0 40 IDAB Cc1ccccc1Cn1c(=O)c2c(nc3n(-c4ccc(C(N)=O)cc4)c(C)cn23)n(C)c1=O 72233883 GWLZZEVQERIMKU-UHFFFAOYSA-N 442.479 1.903 0 40 IDAB COCCN1CCN(C(=O)Cn2nc(-c3cccs3)c(-c3cc(C)no3)cc2=O)CC1 72337275 MBVHOUNEQIXJBN-UHFFFAOYSA-N 443.529 1.726 0 40 IDAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1nccs1 80357795 CTGMIVDFHSZKNX-OLZOCXBDSA-N 440.522 1.826 0 40 IDAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 95455692 SZPJVLSGSKZTAO-NPQIQWPPSA-N 436.490 1.924 0 40 IDAB Cc1cc(NC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)n([C@@H]2CCS(=O)(=O)C2)n1 95478703 MSIKRRUCNPSILH-CQSZACIVSA-N 433.465 1.347 0 40 IDAB C[C@H](C(=O)NCCS(=O)(=O)N1CCc2ccccc21)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 106063926 NIEGCYLOWUQAIB-PVAVHDDUSA-N 433.530 1.059 0 40 IDAB CCn1cc(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c(=O)c2ccc(C)nc21 238814658 BDWGKWGAGINXOL-UHFFFAOYSA-N 448.527 1.856 0 40 IDAB C[C@H](C(=O)N1CCC[C@H](CO)C1)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 253375914 RJYHKSUIFCCMBY-ZCCHDVMBSA-N 448.951 1.824 0 40 IDAB O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(C4CCC4)C[C@@H]13)CC[C@@H]2O 253406825 VAVZZNUPRMONGR-WCCBULMPSA-N 443.544 1.173 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)Nc2ccc3c(c2)n(CC)c(=O)n3CC)nc1N 408544619 VYEQOGXXRYSUNM-UHFFFAOYSA-N 444.517 2.123 0 40 IDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCC(=O)O 408590837 IEKJKYDDMHIGLK-ONNFQVAWSA-N 443.206 1.289 0 40 IDAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)N[C@H](C)c2ccccc2)CC1=O 408654164 JXPHJDJQRZWXLC-WBVHZDCISA-N 439.468 1.609 0 40 IDAB CN1CC2(CCN(C(=O)CC3CC3)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O 643574530 ZFHRQXYNAFNBEE-VQTJNVASSA-N 430.545 1.601 0 40 IDAB COc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)c(OC)c1 2222517 WPVCLMKPISXODX-UHFFFAOYSA-N 427.461 1.155 0 40 IDAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 3266993 BWKGNVQSRDGGTO-UHFFFAOYSA-N 430.486 1.448 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1C 7425765 OPRQIQNIFGUQCY-MRXNPFEDSA-N 429.521 1.938 0 40 IDAB CCc1cnc2c(c1SCC(=O)Nc1ccc(OC)c(OC)c1)c(=O)n(C)c(=O)n2C 8601891 DDQFDWGKOIWYLA-UHFFFAOYSA-N 444.513 1.943 0 40 IDAB C[C@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12 9060490 CONFLXINLNBOTG-ZDUSSCGKSA-N 446.349 1.954 0 40 IDAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCOCC2)c1 9139229 RUIMNHZWFBZVJR-INIZCTEOSA-N 444.509 1.842 0 40 IDAB O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)NC[C@H]1CCCO1 9295434 CXSZHLQXEFLVRK-MRXNPFEDSA-N 430.534 1.839 0 40 IDAB CSC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 9320118 NOYPLWXKHCPAQM-IRXDYDNUSA-N 427.482 1.406 0 40 IDAB biogenic CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 9466930 OEHOPHNJQFJONC-LRDDRELGSA-N 445.588 1.576 0 40 IDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9981846 LXTQVCNJRALUPJ-UHFFFAOYSA-N 430.465 1.902 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2ccccc2)cc1OC 10111427 HCYWZADMLLJCGM-UHFFFAOYSA-N 435.546 1.967 0 40 IDAB COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2CCCc2ccccc2)n(C)c1=O 11613314 GGEFWDPFYYVVQD-UHFFFAOYSA-N 436.516 1.978 0 40 IDAB C[C@@H](C(=O)N[C@]1(C)CCS(=O)(=O)C1)N1CC2(CCOCC2)Oc2ccccc2C1=O 12086882 ZFUIBIVVKKTTJD-MGPUTAFESA-N 436.530 1.152 0 40 IDAB O=C(c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12390951 BSZNVMFTVCMQMY-UHFFFAOYSA-N 432.483 1.567 0 40 IDAB COc1cc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc(Cl)c1OCC(N)=O 12824264 FZNPRQDCMFNKPB-UHFFFAOYSA-N 438.868 1.358 0 40 IDAB C[C@H](OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1sccc1C(N)=O 12898545 HUICZQNJIVVVSQ-JTQLQIEISA-N 437.499 1.472 0 40 IDAB CC(C)CN(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 13117793 LKKCUGRZMFSWHR-HRAATJIYSA-N 433.530 1.052 0 40 IDAB CCN(C(=O)[C@H](C)OC(=O)c1c(NC(C)=O)sc(C)c1C)[C@@H]1CCS(=O)(=O)C1 14249423 YWYKHVPDFJCYSA-SMDDNHRTSA-N 430.548 1.904 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 16032934 AKRMSGHMOGSAMH-UJAPCULTSA-N 446.507 1.224 0 40 IDAB biogenic CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3)C1)C2=O 19699687 ZUWQBCDLSUTZBC-SFHVURJKSA-N 426.517 1.860 0 40 IDAB Cc1noc(C)c1CC(=O)NCC1CCC(c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 19742997 RNLBVDCCDKLNBE-UHFFFAOYSA-N 439.516 1.870 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 20566671 BKZUKLLYKBUEHA-MVOHMCPASA-N 433.508 1.913 0 40 IDAB COc1cccc([C@]2(C)NC(=O)N(CCOc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)c1 23846365 AJVIJMQMVKRVCO-NRFANRHFSA-N 447.513 1.792 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)n1 38542321 XFQAEVWTWCAWOU-AWEZNQCLSA-N 440.547 1.603 0 40 IDAB O=C1CCCC(=O)N1CCS(=O)(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 38677605 OJLLLMXMKBONDA-UHFFFAOYSA-N 449.938 1.161 0 40 IDAB O=C(Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O)Nc1ccc2c(c1)OCCO2 40478225 FNINUIRYBZRHGB-UHFFFAOYSA-N 436.403 1.585 0 40 IDAB CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cc2)c1C 48234353 MTOQHFLDUAMDEK-INIZCTEOSA-N 449.533 1.903 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 57415115 DBHKZARGZGJIQC-SFHVURJKSA-N 442.907 1.733 0 40 IDAB Cc1nc2cc(C(=O)N3CCC[C@H](c4c(S(C)(=O)=O)cnc5ncnn45)C3)ccc2[nH]1 57730067 SHLRLESXKCAOCT-AWEZNQCLSA-N 439.501 1.732 0 40 IDAB COc1cc(C(=O)Nc2c(C)nn(C)c2-n2cncn2)ccc1OCC(=O)NC(C)C 58268140 FHRQQLTWPZLPAP-UHFFFAOYSA-N 427.465 1.474 0 40 IDAB CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NCc2csc(=O)[nH]2)c1 83989562 UCDDHXWUXYOAQT-UHFFFAOYSA-N 427.323 1.081 0 40 IDAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C(=O)O)cc2)C1 96005689 BQQYXYHGBCGOLJ-CXAGYDPISA-N 430.438 1.329 0 40 IDAB COc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@@]34C=C[C@H]2O4)cc(OC)c1OC 101457241 DBJBXZBUIBMHFA-IJEQUREGSA-N 441.440 1.934 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 224999496 OQYIVQSUGNLATE-UHFFFAOYSA-N 436.509 1.914 0 40 IDAB O=C1CO[C@@H](C(=O)NS(=O)(=O)c2ccccc2Br)[C@@H](c2ccccc2)N1 257314789 UYLIBOXAPJSSBE-HZPDHXFCSA-N 439.287 1.510 0 40 IDAB COCC(=O)N1CCN(CC2(O)CCCC2)C[C@@](O)(COc2cccc(F)c2F)C1 585285049 BXEQXJAKMQKZGH-NRFANRHFSA-N 428.476 1.170 0 40 IDAB CC(=O)N1CCC2(CC=CC[C@H]3CN(C(=O)C4CCC4)CC[C@H]3NC(=O)CNC2=O)CC1 1615526263 SMQMFRDVXPNGNI-VQTJNVASSA-N 444.576 1.215 0 40 IDAB C[C@H](c1nnc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1)N(C)C 2726046 LZYIZAIBEFVWSH-GDBMZVCRSA-N 437.591 1.628 0 40 IDAB Cn1nc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2c1=O 3299479 RNKSTOOLKMRZMA-UHFFFAOYSA-N 440.481 1.768 0 40 IDAB Cc1sc2nc(CN3CCOCC3)nc(N3CCN(CC(=O)NC4CC4)CC3)c2c1C 8751152 TYLYYNRZWPVFCU-UHFFFAOYSA-N 444.605 1.541 0 40 IDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 9129250 ZQHFCOGKVNNSKS-UHFFFAOYSA-N 431.923 1.168 0 40 IDAB O=c1c(=NNc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(=O)c2ccccc12 9141545 DCQUXMMHACTDTH-UHFFFAOYSA-N 433.873 1.038 0 40 IDAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccccn1 9303644 KYGJJJBPGMFWJI-MRXNPFEDSA-N 448.520 1.444 0 40 IDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 9549380 QROJCIGUEHXGSS-UHFFFAOYSA-N 429.502 1.936 0 40 IDAB COc1ccccc1CCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 10250678 UOGHAANRNYVLMQ-UHFFFAOYSA-N 434.518 1.373 0 40 IDAB COCCCn1c(C(=O)Nc2ccccc2C(=O)OC)cc2c(=O)n(C)c(=O)n(C)c21 11845188 ZRNCNVLBZQRAIP-UHFFFAOYSA-N 428.445 1.114 0 40 IDAB CCn1c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc21 12772685 AJRUAOUOTBFOPA-UHFFFAOYSA-N 444.513 1.483 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 12783260 HISSKLHYAKJUBY-UHFFFAOYSA-N 443.569 1.947 0 40 IDAB Cc1c(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 12786764 PLUXXDBIKXXMNK-GOSISDBHSA-N 433.468 1.586 0 40 IDAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1S(N)(=O)=O 13002914 PCONTGYNNDXGQG-LLVKDONJSA-N 449.510 1.871 0 40 IDAB Cc1ccc(C)c(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccccc2)c1 13856380 GUPAFTGGQARCTH-UHFFFAOYSA-N 431.558 1.947 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)n(C)c1 14900400 JNSVRNLHYCBTFS-UHFFFAOYSA-N 439.582 1.419 0 40 IDAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)N3CCN(C(=O)c4ccco4)CC3)c2C)n1 16849563 REPDGOUCHCMSQA-UHFFFAOYSA-N 438.488 1.391 0 40 IDAB O=C(c1cc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)no1)N1CCC[C@@H](O)C1 19331046 DFCMYAIPZQFVOF-MRXNPFEDSA-N 437.493 1.979 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)CC1 19530600 WHSQAKJWQXGQEM-UHFFFAOYSA-N 445.564 1.450 0 40 IDAB CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)n2)CC1 19590128 RZCAEICKXCQFQR-GOSISDBHSA-N 447.605 1.694 0 40 IDAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1 21896168 ZSBPQTBPZSFQGC-UHFFFAOYSA-N 433.530 1.948 0 40 IDAB Cc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 22228656 NUAHMTDVYDKULZ-UHFFFAOYSA-N 431.514 1.313 0 40 IDAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCCCn1ccnc1 22250382 ZTPZYCBKWONAJK-UHFFFAOYSA-N 442.925 1.143 0 40 IDAB COc1cccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 22332450 NFVIJZQLPOUKIG-CQSZACIVSA-N 440.543 1.742 0 40 IDAB Cc1c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(=O)n(-c2ccccc2)n1C 22534848 QOIQFVBIPHROEP-SFHVURJKSA-N 442.497 1.650 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)c2cccs2)n(C)c1 36795411 TXCDLOOQFLLYPS-UHFFFAOYSA-N 427.504 1.231 0 40 IDAB CNC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 40152029 KDHBRBMYGNBVLH-LJQANCHMSA-N 427.482 1.975 0 40 IDAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2ccc(-n3cncn3)nc2)CC1 48326523 TYBRKYCIVVYTMO-HNNXBMFYSA-N 438.467 1.978 0 40 IDAB O=C(NC[C@@H]1CCCO1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945553 SLGBFKGBWPQNEW-PMACEKPBSA-N 444.507 1.693 0 40 IDAB Cc1c([C@H]2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)N(C)S(=O)(=O)N2)cnn1C 72335079 LPOKHCWVYNLQJM-HUUCEWRRSA-N 431.440 1.966 0 40 IDAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1 96121862 MSVCFCFWZGECPP-UHFFFAOYSA-N 440.518 1.487 0 40 IDAB CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3cccnc3)cn12 96156685 UPLVORVQUGZSEA-LJQANCHMSA-N 443.515 1.380 0 40 IDAB C[C@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 102591876 CWMRTBWTJWTHNW-SNRMKQJTSA-N 443.500 1.569 0 40 IDAB CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@@H]1n1nc(-c2ccc(C)cc2)n(C(C)C)c1=S 104195381 VNGSVSLXZFOYFJ-RXYDEIHYSA-N 436.534 1.087 0 40 IDAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCc1nc(-c2ccccc2)no1 219448647 IJGMINBSHVUUJL-UHFFFAOYSA-N 426.454 1.978 0 40 IDAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)C(=O)NCc2ccccc2)cc1 222968426 BCAHXHNIEHMKCN-KRWDZBQOSA-N 447.557 1.620 0 40 IDAB CC1CCN(c2cc(N3CCCC3)nc(NC(=S)NCCN3CCOCC3)n2)CC1 225903076 NHNIDOIANHFGOW-UHFFFAOYSA-N 433.626 1.932 0 40 IDAB CCCc1onc(C)c1C(=O)N1CC2(C1)[C@H](COc1nccc(C)n1)CCS2(=O)=O 306129011 HRIBIEVZUHIFKF-HNNXBMFYSA-N 434.518 1.742 0 40 IDAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 409215004 ZDZJFCLONMBMIS-AVIKPIRVSA-N 434.470 1.570 0 40 IDAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C(=O)NCCC(=O)O)cc3)cc21 532032600 DCCLPCFLIAZMPZ-UHFFFAOYSA-N 431.470 1.922 0 40 IDAB CC1(C)CC[C@@H]2C[C@H](NC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)c3cccc1c32 539618225 SRBJWSHRWBREPV-WBMJQRKESA-N 430.530 1.808 0 40 IDAB CSCC[C@H](N)C(=O)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643556625 NTVJLBMWZQINPK-PGRDOPGGSA-N 435.590 1.586 0 40 IDAB Cc1ccc(OC[C@@H]2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)nn1 1888897782 PSOCIIYGUXWVJN-OAHLLOKOSA-N 430.486 1.528 0 40 IDAB COc1ccc(-c2cc(=O)n(CC(=O)N3C[C@H]4CN(c5nccs5)C[C@@H]4C3)cn2)cc1 1888922146 VWBGQKJUZWEWMG-IRXDYDNUSA-N 437.525 1.970 0 40 IDAB Cc1cc(N2CCCC2)nc(N2CCN(CC(=O)N3CCN(c4ccccc4)CC3)CC2)n1 1889224955 KDXVHEWGDKCYRF-UHFFFAOYSA-N 449.603 1.856 0 40 IDAB CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 928646 XJHJHGBGORRXLE-UHFFFAOYSA-N 447.517 1.499 0 40 IDAB CC(C)[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O 4064113 WYRAGOURIKGIFS-HOTGVXAUSA-N 425.526 1.850 0 40 IDAB biogenic CCCCN(C(=O)COC(=O)C1(c2ccccc2)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O 9284096 PPJBZRJRKKPXPP-UHFFFAOYSA-N 442.516 1.937 0 40 IDAB Cc1nc(-c2ccc(CCNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cs1 9549026 WNBJUOZPASYEST-UHFFFAOYSA-N 438.513 1.225 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 12185711 FVOHMLCBHIRTPB-UHFFFAOYSA-N 449.529 1.110 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@H](NCc3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 12469090 HQHOJDCECBCHFF-KRWDZBQOSA-N 436.468 1.475 0 40 IDAB CS(=O)(=O)Nc1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12735691 OIQLYVHEZQXYOS-UHFFFAOYSA-N 430.530 1.891 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 13097702 VVDUPHZDPZGRBC-HXUWFJFHSA-N 448.570 1.869 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3 13624953 JBGHLRFROAFSFN-LSDHHAIUSA-N 442.516 1.469 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)N3CCCCCC3)CC2)cc1 13682892 RTKOAJYORXKBEI-UHFFFAOYSA-N 437.562 1.615 0 40 IDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ccc(F)cc2)CC1 18179581 SFOBJVPKVRHSEX-UHFFFAOYSA-N 425.508 1.998 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCCN(Cc4ccccc4F)C3)[nH]c(=O)c2C1 19583793 UNPMIDJAMHECJG-INIZCTEOSA-N 449.552 1.453 0 40 IDAB COc1ccc(CNC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 20768910 IITGIGMFDLWJFZ-UHFFFAOYSA-N 445.541 1.802 0 40 IDAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCN(C(=O)CN2CCOCC2)CC1 22091065 LFWYCBINDQGJBF-OAQYLSRUSA-N 433.593 1.509 0 40 IDAB C[C@@H]1CN(CCNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@@H](C)O1 22612113 NRMSLVFXSAZIOL-HUUCEWRRSA-N 428.510 1.903 0 40 IDAB COc1ncccc1CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 32787208 VXUJCCVXHVYMEF-UHFFFAOYSA-N 428.308 1.838 0 40 IDAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 33063690 BKINDVIAKTXTRB-UHFFFAOYSA-N 429.437 1.431 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCN(C(=O)CC(C)C)CC1 40051394 RBZXXWMYOBOZBX-KRWDZBQOSA-N 438.594 1.763 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)cc1 49409124 WKHWMSJUVHUGRI-UHFFFAOYSA-N 447.513 1.694 0 40 IDAB O=c1c(Cl)c(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cnn1-c1nc2ccccc2[nH]1 53517406 YDTHAWUMFNPCSD-CYBMUJFWSA-N 448.936 1.071 0 40 IDAB CCCc1nnsc1C(=O)N[C@@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 72345797 WPHLFLOVBBELFG-MRXNPFEDSA-N 436.559 1.929 0 40 IDAB COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)nc2ccccn2c1=O 96114160 PVGWXARWPLDWAJ-ZDUSSCGKSA-N 449.419 1.708 0 40 IDAB biogenic CCc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)cc1 98213213 LMZBYRCSVQPKBJ-UHFFFAOYSA-N 437.475 1.719 0 40 IDAB CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nn2c1O 100138374 IOAYLWYSYDFGSD-MRXNPFEDSA-N 449.577 1.683 0 40 IDAB CN1C(=O)[C@H]2[C@@H](C1=O)N1[C@H](c3cccs3)[C@@H]3C(=O)N(C)C(=O)[C@H]3N1[C@@H]2c1cccs1 170620934 SPHHDFIPWOIWAC-UKRFAEJPSA-N 442.522 1.105 0 40 IDAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 225713808 KSWHARRWCHFFRD-VWLOTQADSA-N 449.507 1.809 0 40 IDAB COC(=O)[C@@]1(C)[C@H]2[C@@H](OC(C)=O)[C@@H](O)c3cc(C(C)C)cc(O)c3[C@@]2(C)[C@@H](O)C[C@H]1O 252506819 VUPPXNVTSLGJHE-VAYKJWLWSA-N 436.501 1.673 0 40 IDAB biogenic,in-vitro Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(c4nccn5c(C)nnc45)C3)CC2=O)cc1C 575608403 SLDYDUVHKWUFBX-ROUUACIJSA-N 433.516 1.798 0 40 IDAB O=C1CC[C@@H](c2nc(CNS(=O)(=O)c3cccnc3)no2)N1CCc1ccccc1 1775964242 YLTMCDIVAMTNNG-KRWDZBQOSA-N 427.486 1.849 0 40 IDAB biogenic,in-vitro CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)cc1 1775972913 CEKQJIDMNNCUSN-UHFFFAOYSA-N 438.509 1.858 0 40 IDAB CC(C)CN1C[C@@H]2C[C@H](NC(=O)NC(C)C)CN2C(=O)[C@@H]1CNC(=O)c1ccccc1 2332242197 QDTQBJOWJDDUEK-UFYCRDLUSA-N 429.565 1.434 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOCCOCCOCC2)C(C)C)cc1 859415 HKUOYGONOPCVPJ-LJQANCHMSA-N 428.551 1.190 0 40 IDAB COc1ccccc1-c1nc2s/c(=C3\C(=O)N(CC(=O)O)c4ccccc43)c(=O)n2n1 2395677 WDYVVVKBDPGTFS-MSUUIHNZSA-N 434.433 1.176 0 40 IDAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](CO)c3ccccc3)CC2=O)cc1 8791270 XCIGKBBPJQAESH-XAUMDUMWSA-N 425.485 1.403 0 40 IDAB biogenic CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 9111974 YXKDMTVGNAXVIP-OXQOHEQNSA-N 437.493 1.161 0 40 IDAB CC(C)NC(=O)Cn1c(=O)n(CCC(=O)NCc2cccs2)c(=O)c2sccc21 9409482 HPHZETZENHXYJY-UHFFFAOYSA-N 434.543 1.517 0 40 IDAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)s1 9729311 IEWDHBHFEJPURC-UHFFFAOYSA-N 437.547 1.720 0 40 IDAB COc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 9806232 YLUFDPDEGBGGSK-KRWDZBQOSA-N 431.514 1.912 0 40 IDAB CCn1c(S[C@@H]2C[C@H](C)OC2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9871076 PSNHWDGNPIRIHB-BLLLJJGKSA-N 425.532 1.873 0 40 IDAB O=C(NCc1ccccn1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 10219936 YTCOUWWNQZMACA-UHFFFAOYSA-N 445.888 1.604 0 40 IDAB O=C(/C=C/c1cccs1)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OC[C@@H]1CCCO1 12136988 FFXBJRVYLWZDFZ-RFMXEPQUSA-N 437.543 1.075 0 40 IDAB COc1cc(NC(=O)Cc2csc(NC(=O)[C@H]3CCC(=O)N3)n2)cc(OC)c1OC 12422909 KATXDTHIQQCVSR-GFCCVEGCSA-N 434.474 1.567 0 40 IDAB C[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12746381 JUKDBWRKTNOOKE-JXFKEZNVSA-N 429.542 1.780 0 40 IDAB CCC[C@@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O 13097783 NZTJQLURZWFDJF-HNNXBMFYSA-N 448.467 1.690 0 40 IDAB CC(C)(C)NC(=O)CN(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 13503185 CZSYLCDSXDBVDH-OAHLLOKOSA-N 445.969 1.541 0 40 IDAB CCOC(=O)CC(=O)N1CCC(c2nc(=O)c3nnn(Cc4cccc(F)c4)c3[nH]2)CC1 13565054 HMTHPOJYUDYCSF-UHFFFAOYSA-N 442.451 1.361 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 15910099 HWMFLKUDCYRVSS-UHFFFAOYSA-N 443.481 1.882 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](n2c(Br)nc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]12 17423652 SPIGLDZVEURWTD-OIORRXCASA-N 428.243 1.152 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1 19572715 ZBFPUTNAWUUPGF-CQSZACIVSA-N 438.500 1.745 0 40 IDAB O=C1CN(CC(=O)N2CCC([C@H]3CCCCN(Cc4ccccc4)C3=O)CC2)CCN1 19744080 KGPNXBXBTSUFGG-OAQYLSRUSA-N 426.561 1.486 0 40 IDAB O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610865 FXRPENJQCSESKE-UHFFFAOYSA-N 429.970 1.330 0 40 IDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 25014797 ROIJRGYXSCFVRS-XOBRGWDASA-N 447.513 1.752 0 40 IDAB COc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)cc1 25286426 LNJZOQFUHHJLRU-MRXNPFEDSA-N 435.527 1.395 0 40 IDAB COc1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 35240672 SNSNFORGKPEPJS-UHFFFAOYSA-N 433.530 1.440 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)C2)c(=O)[nH]c1=O 58110403 XCTBDAMNTWAMOW-CAOSSQGBSA-N 433.553 1.555 0 40 IDAB Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 69596031 ONJOLLPGLQJAAY-ZIAGYGMSSA-N 433.534 1.143 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)cc1 70840203 MMSFBEVHFNYNGQ-UHFFFAOYSA-N 437.424 1.500 0 40 IDAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)N(C)S(=O)(=O)N1 72335198 WBVHLCYQTVPRDF-WUCQLZOISA-N 435.594 1.641 0 40 IDAB Cc1nc(N2CC[C@H](CN3CCOCC3)C2)cc(N2CC[C@H](CN3CCOCC3)C2)n1 84271839 CCICPYFGCQBENK-NHCUHLMSSA-N 430.597 1.102 0 40 IDAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)CCn1c(C)cc(O)cc1=O 95964513 FJPPDPOICDRYQW-UHFFFAOYSA-N 443.500 1.981 0 40 IDAB CCc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 104894955 IXZCXJMSZZSVSJ-GOSISDBHSA-N 430.592 1.149 0 40 IDAB CCn1c(C)nc2cc(C(=O)N3CC[C@@H](n4cnc5c(N)nc(N)nc54)[C@](C)(O)C3)ccc21 257329409 XJWSMGFTBTUJSO-OPAMFIHVSA-N 449.519 1.507 0 40 IDAB CS(=O)(=O)N(CCCC(=O)N1CC(=O)Nc2ccccc21)c1ccc2c(c1)OCO2 408704570 PSOHLVZLPCYZMC-UHFFFAOYSA-N 431.470 1.947 0 40 IDAB CCn1nc(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c(=O)c2ccccc21 552714438 UAHIDSJOCWAWFE-AWEZNQCLSA-N 446.554 1.919 0 40 IDAB Cn1c(=O)c2cc(C(=O)Nc3[nH]nc4c3c(-c3ccccc3)nn4C)n(C)c2n(C)c1=O 604372273 SDGSWKGADWRIRW-UHFFFAOYSA-N 432.444 1.105 0 40 IDAB COc1ccnc(N2C[C@H]3CN(S(=O)(=O)c4ccc(NC(C)=O)cc4C)C[C@H]3C2)n1 1888897897 GHGAXBZUCGAFMN-IYBDPMFKSA-N 431.518 1.509 0 40 IDAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)N3CCOCC3)C[C@H]2NC(=O)NC2CCCC2)[nH]1 2332241844 ROLYYHZILFFOEQ-QFHJOOASSA-N 433.553 1.467 0 40 IDAB COCCn1nnnc1CN(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O 8582947 HNWJYCYYJRDPDS-UHFFFAOYSA-N 435.488 1.767 0 40 IDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9377142 GEAGONQPUVKHMI-UHFFFAOYSA-N 439.497 1.232 0 40 IDAB O=c1/c(=C/c2cccnc2)sc2n1CN(c1ccc(I)cc1)CN=2 9462811 KWIIQVFCVFTZSI-NVNXTCNLSA-N 448.289 1.793 0 40 IDAB COc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 9661855 WNVXYDBYMFVCNZ-UHFFFAOYSA-N 436.486 1.742 0 40 IDAB CCOCCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4OC)c(C)c(C)n23)n(C)c1=O 9829491 VSNHRJNXNQVVMY-UHFFFAOYSA-N 441.488 1.809 0 40 IDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1cc(S(=O)(=O)N2CCCC2)ccc1=O 9884619 GZIVYBFWRIZCDB-AWEZNQCLSA-N 433.486 1.604 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCC[C@H](C)C2)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12251459 LHUSJJHDSRWDLS-ZDUSSCGKSA-N 440.479 1.776 0 40 IDAB CCn1nc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c2ccccc2c1=O 12639545 HKPQRYIEZPSMNE-UHFFFAOYSA-N 440.481 1.861 0 40 IDAB CS(=O)(=O)c1snnc1[C@H]1CCCN(C(=O)COc2ccc3c(c2)OCCO3)C1 12730181 FYAPZKICWZLPPC-LBPRGKRZSA-N 439.515 1.498 0 40 IDAB CN(CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C1=NS(=O)(=O)c2ccccc21 12854390 NFUCAIXVZIONBS-UHFFFAOYSA-N 446.573 1.709 0 40 IDAB O=C(CN[C@H](c1ccccc1)c1cccs1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12913425 ZDFVCQMYVDLFRK-WIYYLYMNSA-N 433.599 1.758 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)c2ccc(N3CCCC3=O)cc2)CC1 13164801 UDUGLARWKMNRKZ-UHFFFAOYSA-N 446.529 1.607 0 40 IDAB CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(F)cc2)cc1 13372041 RLNFGDITHOIUNE-OALUTQOASA-N 427.519 1.954 0 40 IDAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 14047733 KUEPCQZUGBMFGH-KRWDZBQOSA-N 442.545 1.423 0 40 IDAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14750312 ZNYMEIPISPPPKO-HOTGVXAUSA-N 441.509 1.804 0 40 IDAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)NCc1ccccc1 17179173 UAYQIJVCXVTZKL-UHFFFAOYSA-N 448.508 1.643 0 40 IDAB CC(=O)Nc1ccc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@@H]1CN(Cc3ccccc3)CCN21 18140768 KQQVTBQWVMRKSI-FQEVSTJZSA-N 447.495 1.244 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)COc2cccc(C(=O)NCc3ccccc3)c2)CC1 18334489 WFDTVPUPPAMTSH-UHFFFAOYSA-N 431.514 1.099 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccccc3F)[nH]c(=O)c2C1 19572596 QHKJSMGVKOITPD-GOSISDBHSA-N 448.520 1.523 0 40 IDAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N3)CC1 19819005 ILAPCZCQDVBIAZ-CYBMUJFWSA-N 444.879 1.190 0 40 IDAB COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)Cc2cnn(C)c2)c1 21197387 UCLIBAZWYHWCPU-UHFFFAOYSA-N 445.339 1.380 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 22396942 GYGROLDLEMPJAS-UHFFFAOYSA-N 443.522 1.158 0 40 IDAB CCN1CCN([C@@H](CNS(=O)(=O)c2ccc(OC)c(OC)c2)c2cccnc2)CC1 22784431 LGEWAZWXXKVYEK-IBGZPJMESA-N 434.562 1.756 0 40 IDAB COc1ccc(S(=O)(=O)NCCN2CCN(C)CC2)cc1C(=O)N1CCC(C)CC1 22935240 VDBWHGZFEACESH-UHFFFAOYSA-N 438.594 1.093 0 40 IDAB COC(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(SCC(=O)N3CCOCC3)nc2c1 24789106 LOTSSRNYQDDBAW-HNNXBMFYSA-N 447.513 1.313 0 40 IDAB O=C1c2ccccc2C(=O)N1CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 31531195 CZIXNOGSWZETLI-UHFFFAOYSA-N 433.917 1.943 0 40 IDAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 37198721 UOPRJZJCNJXEPB-IAGOWNOFSA-N 440.566 1.138 0 40 IDAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccn(CC(N)=O)n3)ccc2Cl)C1 57997238 OUGRFYFOQWIOFI-GFCCVEGCSA-N 439.925 1.695 0 40 IDAB COC(=O)c1nn(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(=O)c2noc(C)c12 58171498 CPRJFUBSRDSBTK-ZDUSSCGKSA-N 431.493 1.408 0 40 IDAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 95480919 FTERBXMBEMKRBA-UHFFFAOYSA-N 425.942 1.532 0 40 IDAB O=C(CNS(=O)(=O)c1cccc(Cl)c1)N1CC(S(=O)(=O)C2CCCCC2)C1 96121924 GNUXZONIFFYMMK-UHFFFAOYSA-N 434.967 1.577 0 40 IDAB CC1(C)NC(=O)N(CCC(=O)N2[C@@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)C1=O 100145787 FSDVWXPQHJJPOX-IAGOWNOFSA-N 439.516 1.641 0 40 IDAB CN1CCN(c2ccc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 219673604 ROMQFNFLLRQSSK-UHFFFAOYSA-N 428.514 1.612 0 40 IDAB O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@@H](C3)O[C@H]1C2 220174552 SOLUWJRYJLAZCX-MMPTUQATSA-N 449.385 1.634 0 40 IDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1 257327221 XANNAZRRSSBSNN-XMMPIXPASA-N 439.560 1.973 0 40 IDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(c1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O 575426457 TZASZWOGXUUCNB-JKSUJKDBSA-N 425.484 1.046 0 40 IDAB Cn1ccnc1[C@@]1(CNS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)NC(=O)NC1=O 1615588452 QDXRPMXBDWDOJH-OAQYLSRUSA-N 437.481 1.005 0 40 IDAB CN1CCC(C(=O)N2CCC3(CC2)N(Cc2ccccc2)C(=O)[C@H]2CN(C)CCN23)CC1 1772595338 NUOQPDOKWDYWIG-JOCHJYFZSA-N 439.604 1.305 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5cccc(OC)c5)C[C@H]4C3)nn12 1888932247 REGVMMAAUALORV-GASCZTMLSA-N 428.518 1.452 0 40 IDAB Cn1c(O)c(C(c2ccccn2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S 8450559 XZONLWBDVMKZQF-UHFFFAOYSA-N 433.515 1.206 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 8727629 JNQUGJCFVHSOND-UHFFFAOYSA-N 436.534 1.198 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCc1nnc2ccccn12 9255384 TXSVGEMHRRVBMJ-NSHDSACASA-N 438.307 1.475 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1nnc(-c2ccccc2C)n1 9491980 DQCYQWJMEBHOMN-UHFFFAOYSA-N 430.490 1.546 0 40 IDAB Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)c1 9511187 TXMFVXNBYIVXJK-UHFFFAOYSA-N 447.469 1.839 0 40 IDAB COc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3cccc(F)c3)c2N)cc1OC 9677895 DEDYSOHMSGLOIJ-UHFFFAOYSA-N 442.451 1.628 0 40 IDAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n12 9829352 ZNJZHGNMKYBZFV-UHFFFAOYSA-N 431.518 1.838 0 40 IDAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccc2)CS(=O)(=O)C3)cc1 10219753 WYXNFDLAPIQSCK-UHFFFAOYSA-N 440.481 1.564 0 40 IDAB Cc1nn(C)c(C)c1CC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 10300122 XTPJDOZSOMNPIM-UHFFFAOYSA-N 433.534 1.104 0 40 IDAB COc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC 11796035 HWLXKHLMKJDGTL-UHFFFAOYSA-N 447.557 1.976 0 40 IDAB CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2cccc(SC)c2)c1=O 12727257 ZRSKXWMBXNRYJF-UHFFFAOYSA-N 433.534 1.199 0 40 IDAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 13068299 JMGGKRPURIPQOS-IBGZPJMESA-N 445.585 1.799 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)N1CCN(C)CC1 13557307 DYETYILBGCWBFC-UKXGOWJFSA-N 430.574 1.561 0 40 IDAB O=C1NCCN(C(=O)Cc2cccs2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164603 ZJZAAISWLDEOIL-LJQANCHMSA-N 426.542 1.357 0 40 IDAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 14915489 JVCFOTLYRLWUKM-ROUUACIJSA-N 437.562 1.183 0 40 IDAB CS(=O)(=O)c1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 16964616 LOAXKKHALVCMJI-LJQANCHMSA-N 430.482 1.357 0 40 IDAB CN1CCCN(C(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)c2nc3ccccc3nc21 17364688 WGTJFJKXSCZPEP-UHFFFAOYSA-N 443.467 1.312 0 40 IDAB NC(=O)Cn1c(CSc2nnc(-c3ccccc3Cl)n2N)nc2ccccc2c1=O 18035663 XGPZQGABIGCPCK-UHFFFAOYSA-N 441.904 1.800 0 40 IDAB COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc(C(=O)OC)c1 18230518 IPGXNOFYAIDVHS-UHFFFAOYSA-N 449.485 1.635 0 40 IDAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)c(=O)n1C 19131679 PVMINSODWYSLPI-LJQANCHMSA-N 425.533 1.911 0 40 IDAB Cc1ccccc1CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(S(C)(=O)=O)CC2 19237090 IPOPYSKNZISOBM-IBGZPJMESA-N 444.557 1.692 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 19572608 VXMWOUYFTICLJK-QGZVFWFLSA-N 434.493 1.594 0 40 IDAB Cc1ccc(S(=O)(=O)NCCN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 25436482 UIXXAZGFNJTXDC-UHFFFAOYSA-N 437.587 1.421 0 40 IDAB O=c1c(-c2ccc(Cl)cc2)coc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc12 35878028 PIIJBWCFNYXGGN-OUJGAGHGSA-N 434.828 1.292 0 40 IDAB CC(C)C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCCO2 36366520 RBRTWTPEPVAFHB-GJZGRUSLSA-N 425.507 1.297 0 40 IDAB O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)NCc1ccc2c(c1)OCO2 49409303 ZNBRSHICVAFUTJ-UHFFFAOYSA-N 447.513 1.458 0 40 IDAB O=C(CSCC(=O)N1CCOCC1)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 69514002 ZTUIXSOTRJIOQU-UHFFFAOYSA-N 447.966 1.410 0 40 IDAB C[C@H](NC(=O)C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccccc1 70902406 RBAWIZZEUJJHAL-INIZCTEOSA-N 430.530 1.476 0 40 IDAB COC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1 89914343 WWFWTKJEQCVVTF-QKKBWIMNSA-N 434.395 1.958 0 40 IDAB O=C(O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2Cc3ccccc3O2)CC1 95424299 GEFPHXVAMUMPHI-KRWDZBQOSA-N 444.509 1.905 0 40 IDAB COc1ccc(C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)C[C@@]32CCN(C)C2=O)cc1 96144062 IYBUKRHHXPFKNG-OAQYLSRUSA-N 435.546 1.041 0 40 IDAB CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C)CC3=O)CC1 253394161 AMTSOTWOSGAOHR-HJIDZEHQSA-N 440.588 1.696 0 40 IDAB CN(C)CCOc1ccc(CN(C)C[C@]2(O)CCN(c3cc(N(C)C)ncn3)C2)cc1 257310666 UGAQYVHUZKMQAI-HSZRJFAPSA-N 428.581 1.556 0 40 IDAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)N1CCC[C@@H](CO)C1)C2 643575558 MCVDDIDRDUDPDZ-LJQANCHMSA-N 447.576 1.797 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5cccc(OC)c5)C[C@@H]4C3)ncnc21 1888935243 LCZBWZYFIJOSMF-GJZGRUSLSA-N 428.518 1.612 0 40 IDAB O=C1CCCN1CCOCC(=O)N1CCO[C@H](c2cccc(Nc3nccs3)n2)C1 2037834438 DTHZCPJEEFRNIB-INIZCTEOSA-N 431.518 1.821 0 40 IDAB Cc1nc(N2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)cc(-n2cccn2)n1 2087158708 WJYUYXCRADTKJU-UHFFFAOYSA-N 431.500 1.779 0 40 IDAB C[C@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12)C(=O)Nc1ccccc1O 2133895 LPLHLJDAFSPKOR-MXTDPGEGSA-N 436.461 1.232 0 40 IDAB biogenic COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 2652281 OIOFRGZMVNMHMD-UHFFFAOYSA-N 431.470 1.256 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 4371078 QPNUMCMIGXVXMC-MRXNPFEDSA-N 427.505 1.470 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)sc(C)c1C 9126265 BRIHFCQFHGRFMD-UHFFFAOYSA-N 425.463 1.354 0 40 IDAB Cc1cc(C)n(CCCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 9509492 MYJZLHFXAZQKJP-UHFFFAOYSA-N 434.562 1.660 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccn2)c1 9715698 SHVMMHMZWAEKEL-GOSISDBHSA-N 430.530 1.284 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cn2cncn2)cc1 10390817 GPTPQIKKEJYVDI-UHFFFAOYSA-N 441.513 1.277 0 40 IDAB O=C(Cn1nc(O)c2ccccc2c1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 12689142 SDOBLHGOQLJXDY-UHFFFAOYSA-N 441.469 1.211 0 40 IDAB CCC(=O)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 13016172 BWLDIPFIUUVVCU-GFCCVEGCSA-N 432.340 1.197 0 40 IDAB Cc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 13039610 XNJVZJPZHRBMET-UHFFFAOYSA-N 429.542 1.978 0 40 IDAB COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)N(C)Cc1ccccc1 13691986 QJGWIXSFAFLESZ-AWEZNQCLSA-N 438.527 1.828 0 40 IDAB CN(C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 14128666 CVPDWMMILZBNLB-VEGGFIAOSA-N 440.587 1.910 0 40 IDAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)NCCN1CCOCC1 15673547 NHVGEAYYQHXKEM-PMACEKPBSA-N 442.560 1.860 0 40 IDAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCN1C(=O)COc2ccccc21 17345252 XVFBIOQXEHNYJI-UHFFFAOYSA-N 433.486 1.700 0 40 IDAB COc1ccc(C(=O)NCC(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCCCCC1 18091903 QPYNFPLHYJFNDP-UHFFFAOYSA-N 425.551 1.904 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)[nH]c(=O)c2C1 19572697 DOUJHZAIHFJMJO-CQSZACIVSA-N 434.493 1.247 0 40 IDAB CC(=O)N1C[C@H](c2ccc(CN(C)C(=O)CN(C)Cc3ccccn3)cc2)[C@@H](C(N)=O)C1 19698794 XVEDYDINQHYGLH-YADHBBJMSA-N 437.544 1.219 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3cccc(F)c3)C1)C2=O 19699746 YPLIYBZVYISGIM-GOSISDBHSA-N 444.507 1.682 0 40 IDAB CNC(=O)c1cnc([C@@H]2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3F)C2)nc1C 19757479 QJXZHMFIQDYEBS-CYBMUJFWSA-N 449.508 1.164 0 40 IDAB COc1cccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)c1 19817996 NDWUDPBTVDMKOW-IBGZPJMESA-N 429.498 1.334 0 40 IDAB COc1cc([C@H]2CC(=O)c3cnc4c(c3C2)c(=O)n(C)c(=O)n4C)cc(OC)c1OC 19962324 IVJSHYPXVQDEPR-LLVKDONJSA-N 425.441 1.571 0 40 IDAB Cc1cc(=O)[nH]c(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 20198348 YODINSVODXENGI-SFHVURJKSA-N 444.538 1.876 0 40 IDAB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)Nc2nc[nH]n2)c1 23142132 OVAHHWSMYVZDCE-AWEZNQCLSA-N 427.490 1.870 0 40 IDAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(C)c1 23702423 SBHLCIZYRZOCKJ-UHFFFAOYSA-N 436.534 1.566 0 40 IDAB Cn1c(=O)n(C)c2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)ccc21 24606247 NQUSYFLQGBZZAJ-UHFFFAOYSA-N 434.543 1.978 0 40 IDAB NC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 27355515 AIIUCMCIYFPMOA-UHFFFAOYSA-N 431.514 1.453 0 40 IDAB CNC(=O)c1ccc(S(=O)(=O)NCCN2CCc3cc(OC)c(OC)cc3C2)cc1 40149889 OSQJQKGAUZFQMM-UHFFFAOYSA-N 433.530 1.400 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)CC1 61720537 JQAZPTDYDMNOIR-UHFFFAOYSA-N 433.516 1.732 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NC[C@@](C)(O)CC)CC2=O)cc1 72304432 KFZDODFSOWVISN-YWZLYKJASA-N 425.551 1.347 0 40 IDAB O=C(CN1Cc2ccccc2C1=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338804 HPQCIIYIHNTUFC-OAQYLSRUSA-N 440.525 1.611 0 40 IDAB CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 72344736 ZKGAFGQYXFMIRZ-INIZCTEOSA-N 445.545 1.453 0 40 IDAB CC(C)(CNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NS(C)(=O)=O 95955957 VSKOFHRFWCOURK-HNNXBMFYSA-N 439.481 1.880 0 40 IDAB COc1ccc2cc([C@H](CC(=O)N3CCOCC3)c3oc(C)cc(=O)c3O)c(=O)[nH]c2c1 96115875 POKAQQSSXBVJGJ-INIZCTEOSA-N 440.452 1.885 0 40 IDAB biogenic CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@@H]2[C@@H](C(=O)NCc3ccc(F)cc3)[C@H]3C=C[C@]21O3 245229834 GXSVIIIAPAWTCO-WLNKUXMVSA-N 441.503 1.670 0 40 IDAB CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)CC1 408969760 UBEMFCJFSGJELB-UHFFFAOYSA-N 433.505 1.857 0 40 IDAB CNC(=O)Cn1ccc2ccc(NC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)cc21 582920666 CNVWETMVWAGUOH-UHFFFAOYSA-N 440.485 1.181 0 40 IDAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)N1CCC[C@H](O)C1)C2 643575424 JJTUJBYMVIBBGO-IBGZPJMESA-N 433.549 1.550 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@@H](CCC(=O)O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 2130499 FKWBHSUGFQMCEU-DOGKRZLPSA-N 433.464 1.780 0 40 IDAB biogenic COc1ccc(C(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 3328779 IEMGZBDACZHNJE-UHFFFAOYSA-N 439.511 1.746 0 40 IDAB CCC[C@H](C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 4893617 ANPZIIYGNUHSSW-HNNXBMFYSA-N 425.551 1.999 0 40 IDAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)c1 9001511 YHJPSDFSRCLHSU-UHFFFAOYSA-N 429.436 1.843 0 40 IDAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 9113330 HSCWTEDIUNSJOJ-LBPRGKRZSA-N 435.329 1.478 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nncn2-c2ccccc2F)cc1 9127039 BXHOKTQNXORHPE-UHFFFAOYSA-N 435.506 1.505 0 40 IDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2cccs2)CC1 9466125 YHHINTDBBXLKQZ-UHFFFAOYSA-N 432.527 1.450 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccccc2)c1 9577724 ABCJQNGJXDLIBW-FQEVSTJZSA-N 445.541 1.473 0 40 IDAB O=C(NCc1ccccn1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 10219889 KLHXNOLKTALQLE-UHFFFAOYSA-N 445.888 1.604 0 40 IDAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccccc3F)cc2)C1=O 11904919 ZVEKLRLSAVMRLY-CYBMUJFWSA-N 426.491 1.659 0 40 IDAB CC(=O)N1CC2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)Nc2ccccc21 12086133 TUYBNLUGEXMBRC-UHFFFAOYSA-N 434.562 1.498 0 40 IDAB CN1C(C(=O)Nc2ccc3c(c2)OCO3)=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O 15673517 XMFBMUJEZGXOBA-UHFFFAOYSA-N 429.410 1.646 0 40 IDAB CCCCN(C(=O)COC(=O)c1c(CC)noc1C)c1c(N)n(CCC)c(=O)[nH]c1=O 21512232 JHOCIZSDQXGFGQ-UHFFFAOYSA-N 435.481 1.378 0 40 IDAB C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(Cl)c1 22357417 PCSYJHPJXBMLFY-BXUZGUMPSA-N 441.893 1.376 0 40 IDAB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(F)cc2)CC1 22796285 WKSGSOABYULWHO-LJQANCHMSA-N 442.491 1.640 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3cnn(C)c3)CC2)c1 25305134 ZSLWTRLUANSKRP-UHFFFAOYSA-N 433.534 1.289 0 40 IDAB COc1ccc(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)c(OC)c1 32946562 AUMNLDKRBAVGOG-UHFFFAOYSA-N 436.515 1.969 0 40 IDAB CC(C)(CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1 32971750 LDIKMGDSPHYBAF-UHFFFAOYSA-N 448.383 1.345 0 40 IDAB COC(=O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)nn1 40152511 TUDJJWLHMPJTJQ-GOEBONIOSA-N 446.508 1.262 0 40 IDAB CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@@H](c3cccc(OC)c3)NC(=O)N2)CC1 67287829 HQSQIMYTESYVCX-GOSISDBHSA-N 432.477 1.250 0 40 IDAB O=C(O)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)o1 95956962 AOCCPRYIKCFXAP-GQCTYLIASA-N 435.414 1.432 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 100257901 KSQBJQBUSNNORM-QDMVCWPOSA-N 447.491 1.589 0 40 IDAB Cc1n[nH]c(SCCNC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 222638965 BLHIANIKPDFETF-UHFFFAOYSA-N 425.536 1.185 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)s1 223989485 FNGQQRKSVZQVNZ-UHFFFAOYSA-N 446.532 1.071 0 40 IDAB COc1ccc(CN(C)[C@H]2[C@H](NC(=O)CCN)C[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 257256977 KNPGZPOXCMUHGO-SCPDWHHUSA-N 431.508 1.681 0 40 IDAB CCOc1cc(CN2CCC[C@@]3(CC2)Cc2c(O)nc(O)nc2O3)ccc1OCC(N)=O 257283172 OXAOLSQCUVQEOD-JOCHJYFZSA-N 444.488 1.510 0 40 IDAB CCS(=O)(=O)N1CC[C@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306137786 RGKUZSINIODVMA-IBGZPJMESA-N 437.543 1.459 0 40 IDAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C(=O)OC)cc1 408550957 GLHLBGIXIIVTMM-UHFFFAOYSA-N 427.413 1.343 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408655497 DEPSJSPMUBSHSX-WZBLMQSHSA-N 427.457 1.548 0 40 IDAB O=C1CCN[C@@H](c2cc(I)c(O)c(I)c2)N1 408738841 WEPWCWKNXCUDHI-SNVBAGLBSA-N 444.010 1.710 0 40 IDAB O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(Br)o1 575607369 STGVSJULOUJLPG-UHFFFAOYSA-N 437.298 1.594 0 40 IDAB O=C(C[C@@H]1OC[C@H]2CN(c3ncccc3C(=O)N3CCCC3)CC[C@@H]12)NCc1ccon1 585109415 NUKKQSFEFBTMJE-POAQFYNOSA-N 439.516 1.853 0 40 IDAB COc1ccc(NC(=O)CNC(=O)CC2(c3oc(C)cc(=O)c3O)CCOCC2)cc1 1547138816 GWRRUCNPGYKPQX-UHFFFAOYSA-N 430.457 1.856 0 40 IDAB biogenic COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O[C@@H](C)C(=O)NC(N)=O 2664521 KIYDUIHGLGEIQQ-NSHDSACASA-N 425.397 1.232 0 40 IDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1 3428598 OJZUXRXFTMUODL-UHFFFAOYSA-N 425.474 1.208 0 40 IDAB COc1cccc(Nc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)s2)c1 3439769 NXBLOSZEQCLHFN-UHFFFAOYSA-N 434.503 1.245 0 40 IDAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N[C@@H]1CS(=O)(=O)C[C@H]1O 8764458 QYEJYNLGGVATQN-QZTJIDSGSA-N 429.450 1.113 0 40 IDAB biogenic COc1ccc(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1OC 9476904 CGDJHSUTSRVQPQ-OAQYLSRUSA-N 426.469 1.757 0 40 IDAB Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1 9576792 MBBRKTIIADLHNK-IBGZPJMESA-N 431.514 1.165 0 40 IDAB COc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@H]32)c1 9675567 IYJXILDGYGPSBC-MOPGFXCFSA-N 439.428 1.644 0 40 IDAB CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CC(C)(C)C)CC1 9711930 KUSQASYQJXWWAT-UHFFFAOYSA-N 438.594 1.834 0 40 IDAB CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCO2 10012513 WYSZUMNJAUJDJB-UHFFFAOYSA-N 431.514 1.573 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 10274064 NFTRNLWPYWZKLY-KRWDZBQOSA-N 441.532 1.860 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCCCCC2)c2c(C(N)=O)nc(-c3cccs3)nc21 12276828 PMWVGIFYAGPXGL-UHFFFAOYSA-N 428.518 1.843 0 40 IDAB O=C(OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1cccnc1N1CCCC1 12684890 CEEJDVSCHQPHLT-QGZVFWFLSA-N 435.546 1.797 0 40 IDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12697046 SZZFIMCHQNAQSH-UHFFFAOYSA-N 448.545 1.164 0 40 IDAB Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NC[C@@H]2CCCO2)c1 12715882 XFTHKQFQGUFWMT-OCCSQVGLSA-N 431.518 1.463 0 40 IDAB O=C(CSc1nnc2ccccn12)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12873062 KVDVDOJWBOXEDH-QGZVFWFLSA-N 439.497 1.332 0 40 IDAB CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)C1CCC1 12944762 USFUSOWIDKQQBS-UHFFFAOYSA-N 429.926 1.558 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)NC(=O)NC1 12974061 HSEFZZVNDLPNNL-LBPRGKRZSA-N 433.486 1.435 0 40 IDAB CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)c1 13001977 OUQPAWMZAQJBGL-MRVPVSSYSA-N 429.451 1.078 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)cc1C 16046040 ZNPOFJIDEYBJKC-UHFFFAOYSA-N 440.525 1.546 0 40 IDAB COc1cccc(-n2c(=O)[nH]c(O)c([C@H]3NCCc4c3[nH]c3ccc(OC)cc43)c2=O)c1 16996545 CMISKXBIKZBGPM-HXUWFJFHSA-N 434.452 1.965 0 40 IDAB biogenic CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccc(Cl)cc1 18077708 BHXUCWXFUBANPW-HOTGVXAUSA-N 436.896 1.820 0 40 IDAB O=C(Cn1ncc2ccccc2c1=O)N1C[C@H]2CCc3c(nc(N4CCCC4)[nH]c3=O)[C@H]2C1 19376576 GAKLTQKJZMDBHZ-APWZRJJASA-N 446.511 1.268 0 40 IDAB CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C(C)(C)C)[nH]c(=O)c2C1 19524153 MQDDEXCOFQLVKI-INIZCTEOSA-N 426.521 1.894 0 40 IDAB CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)Cn2cccn2)CCO1 19703138 PKLQEJKVQCCDAT-HNNXBMFYSA-N 429.502 1.157 0 40 IDAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1C(=O)NC1CCCC1 23479710 LWMKLGJQYYGJNA-GOSISDBHSA-N 448.589 1.102 0 40 IDAB CCc1c(C(=O)NCC2(N3CCOCC3)CCCCC2)cnn1-c1ccc(OC)nn1 24549769 JOTBVUYTMMMDLO-UHFFFAOYSA-N 428.537 1.998 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 35363832 PPCAFGJIMNCBIO-RMIXQUSFSA-N 435.480 1.305 0 40 IDAB biogenic CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)NCCN3CCOCC3)cc2)o1 36358931 GQGWAADXYJIYTI-UHFFFAOYSA-N 437.518 1.171 0 40 IDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 37187806 BGYRTTSFDSIBIR-FQEVSTJZSA-N 442.541 1.322 0 40 IDAB C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)Cn2cnc3ccccc32)C[C@@H](C)O1 38483733 QGPBOHSFNJALKF-IYBDPMFKSA-N 434.504 1.606 0 40 IDAB NC(=O)Cc1ccc(OCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1 48355449 PXQRVKKKIYCVFW-UHFFFAOYSA-N 437.452 1.951 0 40 IDAB CCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C 57099747 JSHLKEIZXLHECC-UHFFFAOYSA-N 430.940 1.819 0 40 IDAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C[C@@H]3CCCO3)cc12 57640327 KWCPDZKWXUODDC-SFHVURJKSA-N 426.521 1.695 0 40 IDAB COc1cccc(CN(C)C(=O)[C@@H]2CSCN2C(=O)c2c(C)c(C)nn(C)c2=O)c1 72296555 NFIRAPSOAPTQJN-KRWDZBQOSA-N 430.530 1.579 0 40 IDAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCC(C(N)=O)CC3)CC1)O2 72328083 XPRWRXVZOVIGBF-UPCLLVRISA-N 441.528 1.824 0 40 IDAB CC(=O)OC[C@@]1(O)[C@@H](O)[C@@H](OC(=O)c2ccccc2)C=C[C@H]1OC(=O)c1ccccc1 85881160 LVQXSADIPBMJHN-SRYPRDQNSA-N 426.421 1.663 0 40 IDAB biogenic Cc1cc(C)c(S(=O)(=O)NCCC(=O)O)cc1N(C)S(=O)(=O)c1ccccc1 95116964 GWLQISLYZJIYCR-UHFFFAOYSA-N 426.516 1.882 0 40 IDAB Cn1nc(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1Br 95448231 YCTFQWKJDWULEM-LBPRGKRZSA-N 443.323 1.892 0 40 IDAB COc1ccc(C(=O)N2CCC3(CC2)CC2(CCN(S(C)(=O)=O)CC2)C(=O)N3C)cc1 96143692 QECXYVPCYFSNBK-UHFFFAOYSA-N 449.573 1.574 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN(C)c2ccccc2)cc1OC 223854534 LSVAJAMMAKAWFF-UHFFFAOYSA-N 435.546 1.967 0 40 IDAB C[C@H](C(=O)N1CCN2CCCC[C@H]2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 253375254 PANPVAPPWJRXQF-YTZAWJCFSA-N 439.560 1.636 0 40 IDAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCc1ccccc1Cn1cccn1 512202604 IYZOGKBLFPTWBR-UHFFFAOYSA-N 431.500 1.939 0 40 IDAB O[C@H]1CN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@H]1N1CCC(F)(F)CC1 585273152 PNRYJLLKEGVYHG-SFTDATJTSA-N 425.520 1.674 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1888928833 XJUNCJGMUUPLAQ-UHFFFAOYSA-N 433.509 1.987 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2nn(CC)c(=O)c3ccccc23)CC1 8806703 IUHIXFRRZUCBRG-CQSZACIVSA-N 429.473 1.763 0 40 IDAB CNC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1 8861009 ILYDJJZLOIPRKB-YOEHRIQHSA-N 449.554 1.689 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 9037354 WUOVTUMGBYFIEP-CQSZACIVSA-N 431.470 1.705 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)N1CCN(c2ccccc2F)CC1 9113678 MVDHHVYCBDKRIM-UHFFFAOYSA-N 448.520 1.121 0 40 IDAB Cc1csc2nc(CN3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)cc(=O)n12 9207394 SJGRYUGTPYQDRS-SFHVURJKSA-N 426.498 1.691 0 40 IDAB Cc1nnc(NC(=O)CSc2nc(CC(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)s1 9382358 ANHUWHAQCPSPCD-UHFFFAOYSA-N 449.562 1.507 0 40 IDAB CC(C)CN(C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 9491993 XKLPUZYVZKWIDC-INIZCTEOSA-N 444.937 1.285 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)NC(=O)N[C@H]1C 9579521 CIIHJRJJHGHUGI-KBPBESRZSA-N 445.472 1.418 0 40 IDAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCCn2ccc3ccccc32)c1 9670490 JBAOVWYPJHSRPS-UHFFFAOYSA-N 442.541 1.945 0 40 IDAB O=C(NC[C@H]1CCCO1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 9741522 JFNUFGVWVBCUPG-RHSMWYFYSA-N 440.518 1.814 0 40 IDAB O=C(NCCc1ccco1)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 9743682 IBGKUGVSMMWJIP-QGZVFWFLSA-N 433.530 1.688 0 40 IDAB O=S1(=O)CC[C@@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(Br)s2)C1 10213760 DPHKWWOJLQPHRO-MNOVXSKESA-N 444.394 1.867 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)NCCCn2nc(-c3ccncc3)ccc2=O)cc1 11746785 RXIGZKLBMLMGHN-UHFFFAOYSA-N 442.497 1.851 0 40 IDAB CC(=O)N[C@@H]1[C@@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@H](CO)[C@H](O)[C@@H]1O 12276934 SMWDBPKQNHBCGZ-HTOAHKCRSA-N 433.301 1.047 0 40 IDAB O=C(CCN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)Nc1cccc(F)c1 12887563 SJRUQZBPQSKHEB-UHFFFAOYSA-N 446.504 1.655 0 40 IDAB CCn1cc(C(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c(=O)c2ccc(C)nc21 13164585 IVRKLSQQCYUUJW-QHCPKHFHSA-N 449.467 1.845 0 40 IDAB CSCC[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 14244017 AHFWKIFXNHDAAD-QGZVFWFLSA-N 442.607 1.433 0 40 IDAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]2SC1 15947213 CELMTIZIKITZRZ-LRDDRELGSA-N 444.387 1.621 0 40 IDAB COc1cccc(CNC(=O)CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1OC 16029602 VVWYWMYOKKCUAB-FUHWJXTLSA-N 439.512 1.908 0 40 IDAB O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19332084 LBVFURNYOVWUMN-MOPGFXCFSA-N 440.475 1.950 0 40 IDAB CCN(CC)C(=O)[C@H]1CN(Cc2cnc(OC)nc2)C[C@@]12CCc1ccccc1C(=O)N2 19526203 URLGTACHXCNWGQ-YKSBVNFPSA-N 437.544 1.900 0 40 IDAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)Cc1c(C)noc1C)CC2 19710488 YRUSPVCCUZXBMM-UHFFFAOYSA-N 426.521 1.976 0 40 IDAB O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)N1CCN(c2ncccn2)CC1 19797443 MCTCUNSKEGGAIY-UHFFFAOYSA-N 435.893 1.159 0 40 IDAB COC(=O)c1ccccc1NS(=O)(=O)c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 21010398 OPUPWUPZPFXOCS-ZDUSSCGKSA-N 427.504 1.447 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)CC1 22957379 OIIVCBRBDYEVFQ-UHFFFAOYSA-N 428.514 1.719 0 40 IDAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O 32739553 IHBRUGWOJGSOAZ-UHFFFAOYSA-N 443.504 1.402 0 40 IDAB CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccnc(NS(C)(=O)=O)c3)no2)CC1 35425549 YIUWRMJMZBNBMB-INIZCTEOSA-N 434.522 1.651 0 40 IDAB biogenic,in-vitro O=C(Nc1nc(CN2CCOCC2)cs1)C1CCN(c2ccc3nncn3n2)CC1 40069606 MFGUTIJNPUMPPC-UHFFFAOYSA-N 428.522 1.268 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)C(C)C)c1 72272932 XQWKUYPBRVWAEF-LAUBAEHRSA-N 434.581 1.458 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)CC2)Nc2ncccc21 72326286 MXHWJGWXGCXEAJ-XARZLDAJSA-N 441.532 1.099 0 40 IDAB Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)n1 77196916 GLTGIMAHRABJEN-IBGZPJMESA-N 448.527 1.832 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)NCc4ccccc4)[C@H]3C2=O)cc1Cl 101168928 QRQFQYWDQAJKGY-ZWKOTPCHSA-N 427.848 1.958 0 40 IDAB CCOC(=O)CN1C(=O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O 103128383 KZLDWBSCYBHPAW-HDICACEKSA-N 425.393 1.370 0 40 IDAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)s1 223606321 ONDYZVFHIZCFTG-UHFFFAOYSA-N 428.517 1.513 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 224557222 LPYWNSOITDTICS-UHFFFAOYSA-N 446.573 1.448 0 40 IDAB Cc1nc(CN2CC[C@@]3(CN(C(=O)c4ccn(C)n4)C[C@@H]3c3cn(C)cn3)C2=O)cs1 306131100 JWPMBDAISMJLJF-IERDGZPVSA-N 439.545 1.577 0 40 IDAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1cnc(O)n(C)c1=O 501150791 OBUCEUUEPTYEPD-KRWDZBQOSA-N 427.436 1.641 0 40 IDAB O=C1NCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@H]1c1ccccc1C(F)(F)F 541941279 ZGDYMNDOEAFKED-SFHVURJKSA-N 430.390 1.923 0 40 IDAB Cc1c(C(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)cnn1-c1ccccc1 575607364 MLCPMDDBHYIVNL-UHFFFAOYSA-N 448.531 1.733 0 40 IDAB NC(=O)Cc1csc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)n1 604419481 DGAYXUZPVPHXLL-IBGZPJMESA-N 447.476 1.924 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C)CC2)C12CN(C(=O)C1CCC1)C2 1549174664 OMXVVZNHPDRKHT-NRFANRHFSA-N 438.572 1.790 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)Cc5cccc(F)c5)C[C@H]4C3)nn12 1888930501 HBCPIADPYVDNDJ-IYBDPMFKSA-N 430.509 1.724 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OCc4ccccc4)CO[C@H]23)c1 4260443 ZNMQUXGCJQVFGH-RCVZYCBYSA-N 435.498 1.734 0 40 IDAB biogenic,in-vitro CCc1nnc(SCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)o1 8399982 RALBNHBYAYWNTM-UHFFFAOYSA-N 425.536 1.444 0 40 IDAB COc1ccc(C(=O)NCCCn2nc(C)cc2C)cc1S(=O)(=O)N1CCOCC1 9315905 DQGMFSOYKSKXTF-UHFFFAOYSA-N 436.534 1.350 0 40 IDAB O=C(NCCc1ccc(F)cc1)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1 9806038 OEVIOSFBBSWQDT-SFHVURJKSA-N 433.505 1.454 0 40 IDAB CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ncccn2)c1 10843039 HXHCEKWTDGHWHM-JTQLQIEISA-N 428.854 1.496 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c(OC)c1 11858201 DWJVYWLVPRUPJS-LBPRGKRZSA-N 440.499 1.817 0 40 IDAB COc1cccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)c1 11858340 KVSALPTVCXWKTI-UHFFFAOYSA-N 426.472 1.571 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)CC2)cc1 13063551 WZHTWTLEZHFJTL-UTKZUKDTSA-N 434.562 1.760 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](NC(N)=O)c3ccccc3)CC2)cc1C 14345684 NMLGUXGLHUXDTO-FQEVSTJZSA-N 444.557 1.936 0 40 IDAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3)c2)C[C@@H](C)O1 16035695 IUAFOCGYCBKNFP-IAGOWNOFSA-N 446.525 1.958 0 40 IDAB CC(=O)Nc1nc(C(=O)N[C@H]2C[C@H]3CCN(S(=O)(=O)c4ccc(C)cc4)[C@@H]23)cs1 19211664 HISAOMBQOARLLD-UKPHBRMFSA-N 434.543 1.991 0 40 IDAB CN(C)c1ncc2c(=O)[nH]c([C@H]3CCCN(C(=O)c4cc5c([nH]c4=O)CCC5)C3)cc2n1 19585670 XCSXDVMVDIQVRS-AWEZNQCLSA-N 434.500 1.581 0 40 IDAB CNC(=O)c1cc([C@@H]2CN(C(=O)CCn3c(C)cc(C)nc3=O)CCO2)nc2ccccc12 19762520 OASJCBHXJJAYJU-NRFANRHFSA-N 449.511 1.758 0 40 IDAB Cc1nc2cc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)ccc2n1[C@H]1CCS(=O)(=O)C1 78902859 WLQBYYVOYMPEQB-RXVVDRJESA-N 448.589 1.791 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc1 96120434 PRPINUPSZXKLEU-UHFFFAOYSA-N 431.536 1.347 0 40 IDAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CCCC1)Cn1ccnc12 96263162 ZMANWCWFZNYZQT-GOSISDBHSA-N 444.557 1.893 0 40 IDAB COc1cccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)c1 98213060 VKQIRHBEMHWSHI-UHFFFAOYSA-N 425.420 1.487 0 40 IDAB CNS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c1 225411516 NOBNKRYTYKULMA-UHFFFAOYSA-N 441.531 1.542 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3CCC(n4c(=O)[nH]c5ccc(F)cc5c4=O)CC3)nc2n1 225761916 UXEIGAKEQGNVDX-UHFFFAOYSA-N 437.435 1.361 0 40 IDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 409308977 ZWVOTOWOHTYION-VWPFQQQWSA-N 439.205 1.667 0 40 IDAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1776008823 PEFXOKACENRVIK-INIZCTEOSA-N 440.475 1.460 0 40 IDAB COC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3)c2=O)=C(C(=O)OC)[C@H]1c1ccccc1 1516875 JZVXXKCISRTHDW-NOCRFKNCSA-N 448.500 1.160 0 40 IDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C 8880290 GHWJHXFSLIPAQW-SSPMVUGISA-N 426.477 1.927 0 40 IDAB Cn1c(=O)c2c(SCC(=O)Nc3ccc(F)cc3F)nc(C3CC3)nc2n(C)c1=O 9382364 GWWQVTMOGAMFRZ-UHFFFAOYSA-N 433.440 1.914 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1nc2ccccc2c(=O)[nH]1 9493190 FXVCXWGTWTUOBG-UHFFFAOYSA-N 430.486 1.753 0 40 IDAB Nc1nccnc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9691307 NVLPZBSERUAIMY-UHFFFAOYSA-N 439.881 1.292 0 40 IDAB COc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 9806257 ZFBUYZIELCPJLQ-MRXNPFEDSA-N 431.514 1.912 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 9959870 ZFTHHGYEYLLFNF-LBPRGKRZSA-N 448.432 1.724 0 40 IDAB CCOC(=O)N1CCC(NC(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)CC1 12003488 VGKPXARMJHQBAB-UHFFFAOYSA-N 443.909 1.757 0 40 IDAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(S(C)(=O)=O)CC2 19562178 FRIIXFDHKVRCLH-AWEZNQCLSA-N 437.547 1.220 0 40 IDAB COc1cccc(OC)c1OCC(=O)N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19568228 IJPNDNIGNKRZPX-MRXNPFEDSA-N 428.489 1.731 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3[nH]nc(CC)c3C)CC1)C2=O 19700693 MEKUILGITXUFEG-UHFFFAOYSA-N 444.580 1.929 0 40 IDAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)S(=O)(=O)N(C)C)n1 19701012 RDKUXUXAMOSBGW-CYBMUJFWSA-N 436.513 1.416 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(Cn3cncn3)cc2)c1 23149620 FNMOUPLSDVMASS-UHFFFAOYSA-N 444.517 1.157 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 24925525 KSTDSLCNWIKFEI-FQEVSTJZSA-N 432.498 1.805 0 40 IDAB CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1=O 25399336 WNINSBCKWMHIGO-IBGZPJMESA-N 440.500 1.274 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 32903761 SXAOQYXJOAACEC-OAHLLOKOSA-N 429.564 1.758 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(C)c(F)c2)c1=O 32958185 ZPSWEZNLTPGHSB-UHFFFAOYSA-N 433.484 1.315 0 40 IDAB Cc1[nH]c(=O)n(C)c(=O)c1CCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 35597137 AEVUDSOSQDTXDW-UHFFFAOYSA-N 435.893 1.934 0 40 IDAB C[C@@H](NC(=O)COc1ccccc1)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 36396344 LGZQORCTJMLMMK-GOSISDBHSA-N 448.564 1.629 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1N(C)CCc1ccncc1 36594921 UWUWPTMVACQKTE-YLJYHZDGSA-N 438.571 1.512 0 40 IDAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccc(Cl)c3)CC2)C[C@@H](C)O1 40081108 QGWNPAZWMHSCLP-YCZSJOHXSA-N 427.954 1.851 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(NC(N)=O)cc3)CC2)cc1 40158388 HVRCUOAERFDIAE-UHFFFAOYSA-N 438.531 1.181 0 40 IDAB O=C(NCCN1CCN(c2ncccn2)CC1)Nc1cc(Cl)ccc1N1CCOCC1 59337561 QXTPTDRKHKWMAA-UHFFFAOYSA-N 445.955 1.910 0 40 IDAB CNc1cc([C@@H]2CC(=O)N(CCOC)C2)nc(CN(C)S(=O)(=O)c2ccccc2)n1 72391848 KCZYYQVJGFQFMA-OAHLLOKOSA-N 433.534 1.301 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)N1CCc2ccccc21 72396465 RYFXYVDKLXPPEY-UHFFFAOYSA-N 446.442 1.718 0 40 IDAB COC(=O)c1ccc(S(=O)(=O)NCCn2nc(C3CC3)n(-c3ccccc3)c2=O)cc1 77198186 DNJNNOBBNAQQLI-UHFFFAOYSA-N 442.497 1.677 0 40 IDAB Cc1ccc([C@H](CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)N2CCCC2)o1 78726129 MRITWHGHJYBZJO-KRWDZBQOSA-N 430.530 1.970 0 40 IDAB O=C(Cn1cc(NC(=O)C(=O)NC[C@H](O)c2ccccc2Cl)cn1)NC1CCCC1 79111358 NRWNROSQYUUVQE-KRWDZBQOSA-N 433.896 1.384 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCc1nc(C(C)(C)C)cs1 79112009 WICYDTPTWZUUKX-GFCCVEGCSA-N 438.575 1.565 0 40 IDAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)C1CCN(c2cncc3nnnn23)CC1 95436653 ZCOMTAWFSMJQAZ-UHFFFAOYSA-N 445.531 1.979 0 40 IDAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1cccnc1 95471270 RKSQYXICRAPZCN-WBVHZDCISA-N 448.520 1.443 0 40 IDAB COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)N(C)C)CC3)O2)cc1 96036734 UXDMGMUCFRURDU-SFHVURJKSA-N 427.505 1.580 0 40 IDAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)no1 102643098 QOSWDRZTTNOLKS-IRIXXLTMSA-N 437.452 1.890 0 40 IDAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)CC(C)(C)O2 219267305 JUIYQQPGHAFWPY-RHSMWYFYSA-N 425.551 1.932 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)ccc21 224752559 IWKZJQOTSPPZLK-UHFFFAOYSA-N 429.542 1.906 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)CCCn3c(C)nc4ccccc43)CC[C@@H]2O)CC1 257272015 NASRCYHBLVNVSD-GOTSBHOMSA-N 441.576 1.641 0 40 IDAB O=C(N[C@H]1CS(=O)(=O)C[C@H]1NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 575422724 VXSLZHJNPODFBD-VHSXEESVSA-N 430.766 1.625 0 40 IDAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 575422726 VXSLZHJNPODFBD-ZJUUUORDSA-N 430.766 1.625 0 40 IDAB CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)CCS(C)(=O)=O)N2Cc2ccccc21 1565556750 ZXZAYAFAQLXGDR-ZWKOTPCHSA-N 436.578 1.509 0 40 IDAB COc1ccc(-c2ncnc(N3CCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)c2F)cc1 1775972199 CVIPXTCONIZTBB-UHFFFAOYSA-N 446.508 1.844 0 40 IDAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)c5c(C)nn(CC)c5C)C[C@H]4C3)nn12 2087065712 NNEHEGWIBHCFLA-HZPDHXFCSA-N 444.565 1.277 0 40 IDAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(CC3CCC3)[C@@H](CNC(=O)c3ccccc3)C(=O)N2C1 2332242208 RTPZNCZWGFMPPQ-ACRUOGEOSA-N 441.576 1.578 0 40 IDAB Cc1ccccc1OC[C@H](O)Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C 850877 CHABZSKUTBDJHP-MRXNPFEDSA-N 427.505 1.552 0 40 IDAB Cc1ccc(NC(=S)N2CCN(c3nc4c([nH]3)c(=O)n(C)c(=O)n4C)CC2)c(C)c1 8775169 PBGSIIIQUBQSQC-UHFFFAOYSA-N 427.534 1.096 0 40 IDAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)c(OC)c1 9001354 ALLXHMWBTCHADX-UHFFFAOYSA-N 447.451 1.657 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)C2)cc1 9305367 DQYUANMGUUYLIH-PXNSSMCTSA-N 446.525 1.908 0 40 IDAB O=C(NCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9340854 UONONOUPAHREQI-KRWDZBQOSA-N 442.541 1.926 0 40 IDAB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1[C@@H]1CCS(=O)(=O)C1 9952424 NAPBNODFUIMMLA-HUUCEWRRSA-N 439.563 1.605 0 40 IDAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 10717359 QCRAGZIJHIKRCE-UHFFFAOYSA-N 448.453 1.232 0 40 IDAB C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12506150 YELTVLNKVFSGPH-GFCCVEGCSA-N 432.433 1.843 0 40 IDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O 12691730 FKFGSXSMMMGELU-HXUWFJFHSA-N 430.461 1.881 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)NC(=O)N[C@@H]1C 13112296 JPMWVDHIXDOVGK-UKRRQHHQSA-N 429.473 1.664 0 40 IDAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1 13134335 VBMMZTBCCVKQRE-UHFFFAOYSA-N 431.470 1.515 0 40 IDAB CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O 13425458 MMYOLAYKEMCIIR-XIRDDKMYSA-N 434.537 1.253 0 40 IDAB CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCOC)C[C@@H]3CCCO3)cc2c1 13510372 DZPRTUWXEOYUHG-IBGZPJMESA-N 442.520 1.741 0 40 IDAB CC(C)NC(=O)NC(=O)COC(=O)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C 14129728 NELFXPNIJPQZFA-DVQDXYAYSA-N 425.507 1.379 0 40 IDAB O=S(=O)(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)c(F)c1 14246711 YCPMYTBGLAEFCO-UHFFFAOYSA-N 436.433 1.926 0 40 IDAB COCCCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)cc2C1=O 14934942 PUUULAKDGUDFPC-UHFFFAOYSA-N 431.395 1.966 0 40 IDAB Cc1nn(CC(=O)N[C@H]2CCCc3ccccc32)c(C)c1S(=O)(=O)N1CCOCC1 15573654 MNQZEZWGPGIYBN-IBGZPJMESA-N 432.546 1.715 0 40 IDAB CC(C)Cc1c(O)nc(SCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)[nH]c1=O 16033408 ATPIYBAKXRKNEJ-UONOGXRCSA-N 430.530 1.574 0 40 IDAB CN(C)c1ncccc1CN1CCO[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19762353 OEUGZUKBRNEINN-QFIPXVFZSA-N 435.528 1.991 0 40 IDAB COc1ccc(CC(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1OC 20178409 ZFDCIRARBNCUPK-UHFFFAOYSA-N 440.500 1.912 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(C)CC1 22798333 ZUFKHLQQGVXOJJ-SFHVURJKSA-N 447.557 1.999 0 40 IDAB CC(=O)N1C[C@H](C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)Oc2ccccc21 25012805 YRYPGMRJTSJIKL-LJQANCHMSA-N 442.497 1.910 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)Cn3ccnc3)CC2)cc1OC 32912130 ADSYQKZWCSVYCL-OAHLLOKOSA-N 436.534 1.506 0 40 IDAB COc1ccc(OCCOC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 32957402 WKQKDWUAGUSFNI-UHFFFAOYSA-N 436.486 1.896 0 40 IDAB Cc1cc(CN2CCN(C(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)CC2)on1 40013540 LRDBPHNHNYTELV-SFHVURJKSA-N 448.545 1.398 0 40 IDAB COCCN1Cc2cccc(C(=O)N3CC[C@@H](c4cc(=O)[nH]c(N(C)C)n4)C3)c2C1=O 72395230 CRECVKHKAWZXSN-CQSZACIVSA-N 425.489 1.068 0 40 IDAB Cc1c(C(=O)NC[C@@H]2COCCO2)nnn1-c1ccc(I)cc1 84057903 VGKCMZQFCDPVLF-CYBMUJFWSA-N 428.230 1.326 0 40 IDAB CNC(=O)c1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5ccccc5[C@H]4[C@H]3C2=O)cc1 101374523 WOBLPFFOUXIMJB-UXLLHSPISA-N 435.461 1.524 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)C1 219268517 SHWVOQACJKTZQQ-ZDUSSCGKSA-N 427.914 1.525 0 40 IDAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 224220917 YFIGXPDIQZCYOV-UHFFFAOYSA-N 444.531 1.311 0 40 IDAB Cc1nonc1CNC(=O)[C@H]1CN(C(=O)Cc2c(C)[nH]c3ccc(F)cc23)CCN1C 257250944 JOQWUANLACCGLO-LJQANCHMSA-N 428.468 1.308 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1C 575423648 PHQXHJGNNNJKNI-LJQANCHMSA-N 444.619 1.512 0 40 IDAB O=C(NCC(F)(F)F)[C@H]1CN(Cc2ccnc(N3CCOCC3)c2)CC12CCOCC2 585101809 ANGWQEMCCDPBLL-QGZVFWFLSA-N 442.482 1.825 0 40 IDAB CC(=O)Nc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](NC(C)=O)C2)c1 1541019600 OSLBTSNMPDBXMJ-OALUTQOASA-N 439.520 1.341 0 40 IDAB COc1cc(C)c(S(=O)(=O)N2CCCN(c3ccc4nnc(C)n4n3)CC2)cc1C 1775967753 BVRBSSBGTOHDMH-UHFFFAOYSA-N 430.534 1.959 0 40 IDAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(Cc3ccsc3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242105 GTWKBHPQXJEQFI-BZSNNMDCSA-N 433.578 1.136 0 40 IDAB Cc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc4c(c2)OCCO4)c(=O)c3=O)cc1 8849687 WFAIWPVGJYCAOL-UHFFFAOYSA-N 435.440 1.275 0 40 IDAB Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@H]1CNC(=O)C(=O)NC1CCCC1 9577638 ZHALYJAKCURBIQ-KRWDZBQOSA-N 427.498 1.046 0 40 IDAB Cn1c(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nnc1[C@@H]1CCS(=O)(=O)C1 9592580 PHCWECSHAQCQNQ-GFCCVEGCSA-N 437.547 1.256 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2cccs2)cc1 9806689 OUZGWSVPPYWORG-AWEZNQCLSA-N 437.543 1.342 0 40 IDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9960891 RNCAPMBIQFRKPG-UHFFFAOYSA-N 428.470 1.056 0 40 IDAB CC1CCN(C(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)CC1 11758252 GFSZJXYQCDZLCJ-UHFFFAOYSA-N 429.502 1.638 0 40 IDAB COCCCn1c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n(C)c(=O)n(C)c21 11845224 DWFCCBSYJPIEEB-UHFFFAOYSA-N 428.489 1.056 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)NCc1ccc2c(c1)OCO2 12085576 YIXNNDUIPKULAR-QHCPKHFHSA-N 436.468 1.596 0 40 IDAB CN(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 12553412 HJKSFCBMYVOBJN-LLVKDONJSA-N 429.292 1.081 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccc(F)cc1)c(=O)n2CC(=O)N1CCC(C)CC1 13228013 IOTCUZQKJFTJKD-UHFFFAOYSA-N 426.452 1.387 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)NC(=O)N[C@@H]1C 16044741 RJDGYKWLWQNCCU-OLZOCXBDSA-N 431.445 1.110 0 40 IDAB O=C(Nc1nc(CCC(=O)N2CCN(c3ncccn3)CC2)cs1)c1ccc(=O)[nH]c1 16851274 OKRGQDUWASCBST-UHFFFAOYSA-N 439.501 1.155 0 40 IDAB O=C(CN1CCN(C[C@@H]2CCCO2)CC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292019 CDPRIHLFTNNDMA-PMACEKPBSA-N 443.592 1.082 0 40 IDAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)N1CCOCC1 20081196 CWBXQFORAHYXJK-LJQANCHMSA-N 440.504 1.853 0 40 IDAB CCOC(=O)C[C@@H]1CCN(C(=O)COc2ccccc2)C[C@@H]1CCN1CCC[C@H]1C(N)=O 20462793 JLBLMISBOLMBLE-ZJOUEHCJSA-N 445.560 1.823 0 40 IDAB biogenic,in-vitro Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)Nc1ccccc1C(F)(F)F)CC(=O)N2 20800040 UTTRHOVYRBLUFA-JTQLQIEISA-N 436.394 1.979 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccnc2-n2cccn2)c1 23171424 MSWJDJOHIQNBKA-UHFFFAOYSA-N 430.490 1.098 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CN1Cc1ccccc1Cl 23990106 XMCYRMKYNVUAFT-IAGOWNOFSA-N 439.965 1.020 0 40 IDAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 36708281 BTDGTRZFCNKGIE-UHFFFAOYSA-N 444.561 1.936 0 40 IDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1cccnc1-n1cncn1 40108939 XEGMJYFXWOYSTH-UHFFFAOYSA-N 431.382 1.595 0 40 IDAB Cc1cc(C)n2nc(C)c(C(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)c2n1 40152483 OROJIFAKFXUCCL-UHFFFAOYSA-N 431.493 1.940 0 40 IDAB O=C(NCCN1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1)c1ccc2c(c1)OCO2 42384493 YRPJSHFJFNWURR-UHFFFAOYSA-N 437.456 1.586 0 40 IDAB Cc1ccc([C@@H](CN2CCOCC2)NCc2nc3ccccc3c(=O)n2CC(N)=O)cc1 49592408 PDYIOYVYHGODSI-OAQYLSRUSA-N 435.528 1.353 0 40 IDAB COCCCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)CC1 57477188 GFWVBSBYPYEOPE-UHFFFAOYSA-N 445.520 1.004 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)C3CCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O 57681239 SUHALBPEMVXZJP-UHFFFAOYSA-N 444.923 1.464 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)C[C@H](CO)[C@H](O)[C@@H]1O 71404905 XZDXDNHHPNGMTE-PCSHXDEPSA-N 447.713 1.570 0 40 IDAB CCCCn1c(N)c(N(CCC)C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(=O)[nH]c1=O 103019963 FHDBCSNTBQHLHI-GASCZTMLSA-N 447.536 1.227 0 40 IDAB CCCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 105352201 UXKZVKPESZJUQE-POKHYADKSA-N 436.306 1.350 0 40 IDAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCCN1CCOCC1)=C2C 219190843 KDASVRKUVDDXBH-UHFFFAOYSA-N 439.534 1.053 0 40 IDAB COC[C@H](C)N1C[C@@H](C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)CC1=O 253377850 YJSIDSZKRIBKKT-MPGHIAIKSA-N 438.532 1.947 0 40 IDAB O=C(O)COc1cccc(C(=O)NC[C@]2(O)CCCN(c3ccnc4cccnc34)C2)c1 257339480 ZBXTUMXMKQMSNM-HSZRJFAPSA-N 436.468 1.855 0 40 IDAB C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)C3CCOCC3)CCN21 514290273 VYSHTBUEHYWNCF-UGKGYDQZSA-N 435.952 1.486 0 40 IDAB biogenic,in-vitro O=C(O)c1ccc(Cl)c(S(=O)(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 575424381 AALSCAMWGUZEMX-CABCVRRESA-N 445.902 1.391 0 40 IDAB COC(=O)c1ccc(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1 575616545 RHVQQLPKLNOMEA-UHFFFAOYSA-N 448.423 1.413 0 40 IDAB CC(C)CC(=O)N1CCC2(CC1)C[C@@H](O)[C@@H](O)Cc1ccccc1OCC(=O)N(C)C2 643574066 AESXPXYNUULZCF-VQTJNVASSA-N 432.561 1.847 0 40 IDAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1C[C@@H]2CN(c3cc(O)nc(O)n3)C[C@H]2C1 1888869388 FHQJXSIZKSXDLU-QWRGUYRKSA-N 440.428 1.093 0 40 IDAB CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccc(O)c(OC)c1 2504040 UPGQFRBVQZRMBV-HZMBPMFUSA-N 448.497 1.970 0 40 IDAB CCCCCn1c(=O)c2c(nc3n2C[C@H](O)CN3c2ccc(OCC)cc2)n(C)c1=O 5180299 XEZZUMCYNWOPJP-MRXNPFEDSA-N 427.505 1.998 0 40 IDAB CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C 6198418 WTVGRHPQUXUMJF-UHFFFAOYSA-N 425.873 1.977 0 40 IDAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCc3ccccc3)c2=O)cc1 9660600 DVIXXSSXAQHABY-UHFFFAOYSA-N 430.464 1.932 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCCC2=CCCCC2)cc1 9806707 TUZIXLYMHGRFHT-SFHVURJKSA-N 449.573 1.971 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1OC 10008848 IMZATUQDHLGCLY-UHFFFAOYSA-N 438.458 1.659 0 40 IDAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1 10112237 YKLRMOJDDCBFMI-UHFFFAOYSA-N 434.470 1.755 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2)c(C)c1 12080648 LZZUGYYLICXGTF-LJQANCHMSA-N 445.541 1.391 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2cccnc2C)C[C@@H]1C(=O)N(C)C 12125324 FIKHWOBLLONUAD-YKSBVNFPSA-N 436.512 1.674 0 40 IDAB Cc1cccc(OC[C@H](O)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 12289103 QLUOCOAVABRVFQ-IAGOWNOFSA-N 441.532 1.418 0 40 IDAB COc1cc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)cc(OC)c1 12522063 MMFDJQLFBPWFON-UHFFFAOYSA-N 435.502 1.775 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 13097700 ANPBDXKVACGQMF-LJQANCHMSA-N 434.543 1.479 0 40 IDAB CCOC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)c(C)c2)CC1 13371897 MXSHAZLOVLCYLF-ROUUACIJSA-N 447.550 1.349 0 40 IDAB COC(=O)/C=c1\s/c(=C\c2c(Cl)cccc2Cl)c(=O)n1CC(=O)N1CCCC1 14253271 WQUYWBSSKMJRQW-MPYUCWHUSA-N 441.336 1.621 0 40 IDAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1 17899561 OJNQHAJIKHWEMY-HXUWFJFHSA-N 444.509 1.884 0 40 IDAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1 17899563 OJNQHAJIKHWEMY-FQEVSTJZSA-N 444.509 1.884 0 40 IDAB CC(C)c1nc2ccccc2c2nn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)n12 19453869 ZXMAJLWMXDUVQS-UHFFFAOYSA-N 448.483 1.745 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 19583783 CLTGJAHVJPCGKI-MRXNPFEDSA-N 449.552 1.453 0 40 IDAB Cc1nn(C)cc1CN1CCO[C@H](c2c(C(=O)N(C)CCO)sc3ncccc23)C1 19702988 JJFWOLHPWXJPOL-KRWDZBQOSA-N 429.546 1.976 0 40 IDAB O=C(NCCNS(=O)(=O)c1cccs1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 20723009 OEVIDZKXVYYIHQ-GFCCVEGCSA-N 427.935 1.849 0 40 IDAB O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)NC(=O)NCc1ccccc1 22790352 COXQNTWEFBNBMJ-UHFFFAOYSA-N 443.935 1.922 0 40 IDAB Cc1sc2ncnc(SCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1C 23846673 MHRIFGHRBYXMIW-CQSZACIVSA-N 440.616 1.732 0 40 IDAB Nc1nc(Cl)cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)n1 24056477 KZNAZPRSKICSHD-UHFFFAOYSA-N 425.898 1.384 0 40 IDAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O 24111314 PVTJGXXWNOZPRF-UHFFFAOYSA-N 426.370 1.454 0 40 IDAB Cc1ccccc1N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(C)(=O)=O 26539453 QNUGHVMMSIJVHZ-UHFFFAOYSA-N 445.541 1.834 0 40 IDAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 36386336 NPVYCCYYWCJPCL-UHFFFAOYSA-N 428.562 1.399 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCC[C@@H](c2nnc3ccccn23)C1 40050309 PVXWSHZOLDJZKN-OSPHWJPCSA-N 444.495 1.829 0 40 IDAB C[C@H](Sc1nncs1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 40134987 PCEYZPSJMKIWOU-JTQLQIEISA-N 434.515 1.830 0 40 IDAB CN(C)c1ccc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cn1 70010450 HTGUPACLHXTEJY-UHFFFAOYSA-N 444.561 1.534 0 40 IDAB CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)CC1 96124014 NBLYXNAZAXYIGI-OAHLLOKOSA-N 428.497 1.011 0 40 IDAB COc1ccc(S(=O)(=O)N2CC[C@]3(CN(c4cccc(F)c4)C(=O)CN3C)C2)cc1 96237995 KYWPKWFVVIXBIZ-OAQYLSRUSA-N 433.505 1.946 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 100376743 VCIRVTJQPNZIIS-HRLGVUPISA-N 439.342 1.971 0 40 IDAB COc1cccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)c1 219269001 RCZFKQZNSSRFJD-HNNXBMFYSA-N 437.522 1.222 0 40 IDAB COc1ccc(N(CC(=O)NCCOc2ccccc2OC)S(C)(=O)=O)c(OC)c1 223654915 WJPMXLCLRFOLRB-UHFFFAOYSA-N 438.502 1.674 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc1 225606167 OKWRDDRZMRYFCY-UHFFFAOYSA-N 445.545 1.068 0 40 IDAB COC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 226035393 OBZDWEQGNHFFOR-GOSISDBHSA-N 434.470 1.283 0 40 IDAB COCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2C)CC1 227116532 GRTBMZPUUYPGRP-UHFFFAOYSA-N 441.369 1.040 0 40 IDAB C[C@H](C(=O)N1CCN2CCC[C@H]2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 253374362 MBHQASNICXGLMX-DGGJZMOXSA-N 426.517 1.213 0 40 IDAB NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNS(=O)(=O)N2CCOCC2)CC1 257338569 YXZZGPWLCCGOEC-HDJSIYSDSA-N 438.575 1.836 0 40 IDAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3nccs3)C[C@@H]2N1Cc1ccccn1 306137271 QRJBHEBASGBNDM-HOTGVXAUSA-N 429.527 1.769 0 40 IDAB Cc1ccc(Cn2c(SCC(=O)N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 930491 JFZDCGWDJMXRCM-UHFFFAOYSA-N 441.557 1.895 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCC(C)CC2)cc1N(C)S(C)(=O)=O 6461795 LSBKHNCOMNWSBX-UHFFFAOYSA-N 447.579 1.018 0 40 IDAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 8653836 OSFUCVZWRXLFJC-JZVSFUAJSA-N 449.488 1.922 0 40 IDAB CC(C)NC(=O)Cn1nc2n(CC(=O)N[C@H]3CCCC[C@H]3C)c3ccccc3n2c1=O 12117655 MQURFEIIALWQOC-CVEARBPZSA-N 426.521 1.670 0 40 IDAB CCc1c(C)nc2cc(C3CCN(C(=O)CN(C)[C@H]4CCS(=O)(=O)C4)CC3)nn2c1O 12134200 MJOUVMBGLSDEOF-INIZCTEOSA-N 449.577 1.131 0 40 IDAB CCN(C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 12633758 ICAMORWJLMMRKA-GOSISDBHSA-N 432.498 1.148 0 40 IDAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1OC 12738360 ULTZCFXMQYWGDA-INIZCTEOSA-N 426.516 1.877 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccsc1 12794703 SWXQWYJFGKZXNP-UHFFFAOYSA-N 443.497 1.679 0 40 IDAB O=C(NC[C@H](O)c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 13628683 RMVAALSXGRNPDM-RDJZCZTQSA-N 446.554 1.942 0 40 IDAB CC(=O)c1ccc(NC(=O)C[C@@H]2N=C(N3CCN(Cc4ccccc4)CC3)NC2=O)cc1 13690222 KDJWIQBSPPZZFT-NRFANRHFSA-N 433.512 1.890 0 40 IDAB O=C(COc1ccccc1)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 15436469 ISSDJEVRXXNSQI-UHFFFAOYSA-N 431.514 1.995 0 40 IDAB O=C([C@@H]1CN(C(=O)CN2C(=O)COc3ccccc32)c2ccccc2O1)N1CCOCC1 16964623 LVUJPPLKESBSEP-FQEVSTJZSA-N 437.452 1.065 0 40 IDAB CN(C)c1cc([C@H]2CCCNC2)nc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)n1 19709968 NOHHGQZZOCJBJB-HNNXBMFYSA-N 447.561 1.602 0 40 IDAB Cc1n[nH]cc1C(=O)N1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19759444 CIXBALSJSNRSBM-NRFANRHFSA-N 435.484 1.952 0 40 IDAB COc1cc2c(c3oc(=O)c(CC(=O)N4CCN(CCO)CC4)c(C)c13)CCC(C)(C)O2 20760017 YPDZAFNLLUGQMB-UHFFFAOYSA-N 444.528 1.893 0 40 IDAB biogenic Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NCCCc1ccccc1 21713915 SXTGOMWYBQUZMN-UHFFFAOYSA-N 449.486 1.833 0 40 IDAB CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 22851481 NEWQTUBLFXCYQT-LJQANCHMSA-N 442.491 1.670 0 40 IDAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23272333 MHUSHGXSPFFVAC-LBPRGKRZSA-N 442.877 1.320 0 40 IDAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)N1CCOCC1 25748766 QKSYEPLBPOQFND-INIZCTEOSA-N 447.598 1.453 0 40 IDAB COc1ccc2cc([C@H]3CC(=O)Nc4c3c(C)nn4-c3ccc(=O)[nH]n3)c(=O)n(C)c2c1 36359077 YPAPKZWKENQQLY-CQSZACIVSA-N 432.440 1.599 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cc(N3CCCC3)ncn2)CC1 36708274 IWGDUCMDUADSEB-UHFFFAOYSA-N 431.518 1.359 0 40 IDAB C[C@H](OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC(C)(C)C 36757987 JJBPNGLWEKPSKU-ZDUSSCGKSA-N 428.507 1.363 0 40 IDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1cccn1C 49512749 WJGGIJFCCMQYOD-IBGZPJMESA-N 447.561 1.095 0 40 IDAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4nccn4C)[C@@H]3CO)cc2)no1 72321484 CGVAENXADFOFMX-YLJYHZDGSA-N 425.445 1.430 0 40 IDAB biogenic,in-vitro C[C@H](C(=O)N1CCC[C@@H](O)C1)N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326584 FSAGMQWYAHJCAK-VWLHBSKXSA-N 434.924 1.576 0 40 IDAB COCCc1ncc(CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)cn1 72394400 XIUOQMMDGMUAHF-UHFFFAOYSA-N 446.573 1.854 0 40 IDAB O=C(Cc1ccccc1)NC[C@H]1O[C@H](Cc2cc(CN3CCOCC3)on2)CC[C@@H]1O 77263400 YNFGSUVWWWMYIM-ILWGZMRPSA-N 429.517 1.317 0 40 IDAB biogenic,in-vitro CCNC(=O)C1CCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)CC1 78985247 PMWWHEPAWTYBQC-UHFFFAOYSA-N 432.340 1.393 0 40 IDAB CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)c1cnc(C)cn1)CC2 96144934 AYPCJSUEHVYUCH-UHFFFAOYSA-N 434.504 1.376 0 40 IDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 101705607 CVUVYLAGNMYYGE-KODHJQJWSA-N 429.498 1.217 0 40 IDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 105352136 OPNZIEVNEBUACP-KFXYWLKISA-N 436.306 1.349 0 40 IDAB COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1C(=O)N1CCOCC1 223874396 XTJFONXSEKJSFM-UHFFFAOYSA-N 448.497 1.417 0 40 IDAB Cc1cc(N2CC[C@](O)(CNCc3ccc(OCCCN4CCCC4=O)cc3)C2)ncn1 257203676 ARBVABCFIATGKZ-DEOSSOPVSA-N 439.560 1.907 0 40 IDAB Cn1cc(-c2ccc(C(=O)N3CC[C@@](O)(CN4CCN(c5ccccc5)CC4)C3)cn2)cn1 257278465 OCJXXWJAXYCFLI-RUZDIDTESA-N 446.555 1.881 0 40 IDAB COC(=O)c1cc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc(C(=O)OC)c1 408614070 YAADAYIUUMHMLO-UHFFFAOYSA-N 426.491 1.793 0 40 IDAB COC[C@@H]1CC[C@@H]([C@@H]2COCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)O1 1657114467 LUBNFNKHEPUKHZ-JVPBZIDWSA-N 438.546 1.890 0 40 IDAB CCC(=O)Nc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 6149008 HLYRLIQRILRLIF-UHFFFAOYSA-N 430.490 1.050 0 40 IDAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2I)C1=O 9442760 ZMVKILTZACEVMX-UHFFFAOYSA-N 429.214 1.821 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC(=O)Cc2ccccc2)cc1 9463646 XZUOYQFDTPJFSN-VAWYXSNFSA-N 430.482 1.314 0 40 IDAB CSCC[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9486822 IZAUTOOZXDSUAR-STQMWFEESA-N 444.604 1.322 0 40 IDAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 9644953 IDXHJOCDUIVTQX-QHCPKHFHSA-N 434.500 1.081 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cc(F)ccc4F)[C@H]3C2=O)cc1OC 9675775 SIDFERKYXAITDQ-ZWKOTPCHSA-N 445.382 1.914 0 40 IDAB CCn1c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nnc1-c1ccccc1OC 9713618 WLUMATCIQIRNCU-UHFFFAOYSA-N 442.501 1.716 0 40 IDAB C[C@H]1C[C@@H](Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C(=O)O1 9871033 KMBMWDXHEFUZNW-SMDDNHRTSA-N 425.488 1.554 0 40 IDAB CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1ccc3c(c1)OCO3)CS(=O)(=O)C2 10250660 UZHJCXKDPHMFIJ-UHFFFAOYSA-N 434.474 1.050 0 40 IDAB CCCCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 10641477 IUIFSVBJXRZOJP-KRWDZBQOSA-N 428.576 1.901 0 40 IDAB CCN(C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)[C@H]1CCS(=O)(=O)C1 12006116 YNNJGJMGQXCEFV-LBPRGKRZSA-N 434.923 1.056 0 40 IDAB O=C(NCCc1ccc(F)cc1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030293 MQNVFYLXXSSZSR-SFHVURJKSA-N 425.503 1.759 0 40 IDAB CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1)C(=O)O 12867439 LEOVEARNUMKFIH-DCPHZVHLSA-N 428.533 1.892 0 40 IDAB biogenic CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)CC(=O)Nc1cccc(F)c1 13009326 LYQOFQMLIWJGIF-LJQANCHMSA-N 433.505 1.999 0 40 IDAB COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1C(=O)N1CCOCC1 13668294 YZBJPMOUSMNVGK-UHFFFAOYSA-N 439.578 1.568 0 40 IDAB CC(C)N(C(=O)Cn1cnc2c(cnn2[C@@H]2CCS(=O)(=O)C2)c1=O)c1ccccc1 16849861 UPQGHNGWXBGVTI-MRXNPFEDSA-N 429.502 1.394 0 40 IDAB CCn1nc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc2c1=O 16964500 CDYYJRJZMGSWMC-HXUWFJFHSA-N 448.479 1.683 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)c1 17063104 QGARGLXBBJAAID-ROUUACIJSA-N 445.541 1.088 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3cccnc3)[nH]c(=O)c2C1 19520400 SFJCKYHZGUQFAV-GOSISDBHSA-N 445.545 1.169 0 40 IDAB CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2cccnc2N)C1 19702266 NCPCMZRMKQXFAR-CYBMUJFWSA-N 425.514 1.968 0 40 IDAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(S(=O)(=O)c2cnn(C)c2C)CCO1 19703288 GHHUJQMBYGYPKD-CYBMUJFWSA-N 435.531 1.460 0 40 IDAB Cc1nc([C@@H]2CCN(C(=O)Cc3ccc(N(C)C)cc3)C2)ncc1C(=O)N1CCOCC1 19757615 CBFOBVYDOFGDCM-LJQANCHMSA-N 437.544 1.882 0 40 IDAB O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)N1CCN(c2ccccn2)CC1 19797442 BGYOJXQDWQUUMQ-UHFFFAOYSA-N 434.905 1.764 0 40 IDAB COCCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)N2CCN(CCO)CC2)c1=O 22697768 KGSHPCXRWZOBFV-QFIPXVFZSA-N 447.601 1.930 0 40 IDAB O=C([C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23994798 DHWMSDCWADBCEY-MOPGFXCFSA-N 441.553 1.524 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)O)cc1N(C)S(=O)(=O)c1ccccc1 28295655 UCWANNJWUSDWIV-UHFFFAOYSA-N 428.488 1.273 0 40 IDAB CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 32125055 PFBZLXLZEORMMR-UHFFFAOYSA-N 432.571 1.824 0 40 IDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 36390518 ZOBHKIHSBLVDOK-HXUWFJFHSA-N 428.558 1.873 0 40 IDAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 38946944 YMNQXSDHDGVFSY-PMACEKPBSA-N 435.455 1.896 0 40 IDAB COc1cc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc(OC)c1OC 44917691 IRTKKELXOQZJDN-SFHVURJKSA-N 436.486 1.556 0 40 IDAB COc1ccccc1OCCc1cc([C@@H]2CCN(S(=O)(=O)N3CCOCC3)C2)n[nH]1 72371301 ZGKDIOUGUJHMOK-MRXNPFEDSA-N 436.534 1.406 0 40 IDAB COC(=O)C[C@H](c1ccc(OCC(=O)O)c(OC)c1)c1c(O)nc2ccccn2c1=O 96116216 JXSMIGXUHWWSNA-CYBMUJFWSA-N 428.397 1.567 0 40 IDAB biogenic COc1cccc(S(=O)(=O)N2CC[C@]3(CN(c4cccc(F)c4)C(=O)CN3C)C2)c1 96237997 AQNUPNFPZAEEFZ-OAQYLSRUSA-N 433.505 1.946 0 40 IDAB COC(=O)[C@@]1(C)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 100422072 VFOVZBMOVLHSID-YWNPBTLJSA-N 438.436 1.545 0 40 IDAB Cc1nc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)sc1C(=O)N(C)C 223309316 CZZBMKOHYMBVQZ-UHFFFAOYSA-N 426.520 1.421 0 40 IDAB COc1ccc(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 224494580 PFZZYCBRLZARHF-UHFFFAOYSA-N 448.541 1.762 0 40 IDAB COc1c(O)c(=O)oc2c(C)c(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](OC(N)=O)[C@H]3O)ccc12 253390407 FGTASPCJRQYQNT-BUIXCFAXSA-N 439.417 1.169 0 40 IDAB biogenic,in-vitro CS(=O)(=O)N1CCC2(CC1)CCn1c2nc(=O)c2c1CCN(Cc1ccccc1)C2 306129211 HXMRGTVFDVTJNE-UHFFFAOYSA-N 428.558 1.499 0 40 IDAB Cc1cccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1 409124278 AZPBGYGFIRDOMT-UHFFFAOYSA-N 425.532 1.796 0 40 IDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCC(=O)N3CCc4ccccc4C3)CCOCC2)o1 1547139435 QATZLMAGJZEITF-UHFFFAOYSA-N 440.496 1.793 0 40 IDAB biogenic O=C(Cn1cnc2ccccc2c1=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 3352745 HCOKPALEQFDDIB-XNTDXEJSSA-N 438.509 1.541 0 40 IDAB COc1ccc(CNC(=O)C[C@@H]2O[C@H](CNCc3cccc(Cl)c3)[C@@H](O)[C@H]2O)cc1 8624372 HFXWOCULUXLOSY-YUVXSKOASA-N 434.920 1.634 0 40 IDAB biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](CO)c3ccccc3)C2)cc1 9047594 HJFXDHFPFRTTOK-WIYYLYMNSA-N 445.541 1.896 0 40 IDAB COC(=O)c1ccccc1NC(=O)C1=CC(c2ccc(OC)cc2)=NS(=O)(=O)N1C 9290016 ILMFFGJXEZWOLK-UHFFFAOYSA-N 429.454 1.984 0 40 IDAB CN(C(=O)CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 9430031 QWVIVCGBRSHAPD-NWFCWYBLSA-N 426.491 1.898 0 40 IDAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1)N1CCSCC1 9531013 SDFPYELFZCHCIW-INIZCTEOSA-N 437.587 1.790 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(OC)c(Cl)c4)c(C)cn23)n(C)c1=O 9713096 AZLGVDPYRBUSFY-UHFFFAOYSA-N 431.836 1.282 0 40 IDAB O=C(Cc1ccc2c(c1)OCCO2)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 9953572 CYUABAIJCLSJLA-UHFFFAOYSA-N 432.498 1.338 0 40 IDAB COc1cc2c(cc1CN1CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C1)OCO2 12184681 MZNBBBKPCWGQGY-KBPBESRZSA-N 428.489 1.679 0 40 IDAB Cc1cccc(N2CCN(C(=O)CCCC[C@@H]3[C@@H]4NC(=O)N[C@@H]4CS3(=O)=O)CC2)c1C 12606040 AKQRRVNRROUZTE-YFVAEKQCSA-N 448.589 1.359 0 40 IDAB O=C1COc2cc(S(=O)(=O)N3CCN(C(=O)C4CCCC4)CC3)c(Cl)cc2N1 12794222 AIBZXHCJZZOTQR-UHFFFAOYSA-N 427.910 1.694 0 40 IDAB C[C@@H](OC(=O)c1ccccc1CN1C(=O)CNC1=O)C(=O)Nc1sccc1C(N)=O 12903712 GQSPBACBACJJDT-SNVBAGLBSA-N 430.442 1.083 0 40 IDAB Nc1c(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)o2)c(=O)[nH]c(=O)n1C1CC1 13116047 GMDKQLTZVWLAPE-CYBMUJFWSA-N 443.441 1.324 0 40 IDAB CCCn1nc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc2c1=O 13132723 BVSYVTHMZWLAKA-UHFFFAOYSA-N 444.469 1.249 0 40 IDAB Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N(C)CCc2ccncc2)ccc1F 13371871 LDNVVINTBMBDTE-OALUTQOASA-N 426.535 1.643 0 40 IDAB O=C(CN(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCC1)NC[C@@H]1CCCO1 13503054 SMZMQFIHKXMNFK-KRWDZBQOSA-N 441.525 1.170 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC(C)C)C(=O)O)CC2)cc1 13593226 IPSYLNVZRPKZBH-SFHVURJKSA-N 439.534 1.661 0 40 IDAB Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1nccs1 15019762 FQWUMJDHOBDQMG-UHFFFAOYSA-N 438.560 1.969 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)O 15956459 GLNCOTXYXGERHA-FKIZINRSSA-N 444.484 1.701 0 40 IDAB biogenic CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 16093110 RVKJMMMPXXMWBR-HNNXBMFYSA-N 430.548 1.435 0 40 IDAB CN1CCN(c2ccc(NC(=O)c3c4c(nn3[C@@H]3CCS(=O)(=O)C3)CCC4)cc2)CC1 16850895 ZRWWXGAKBGHKAV-GOSISDBHSA-N 443.573 1.736 0 40 IDAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)NC1CCCCC1 17192542 UFOPNKSVEXTJGQ-UHFFFAOYSA-N 440.529 1.776 0 40 IDAB C[C@@H](NC(=O)C1(c2ccccc2F)CC1)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 19575406 BMRBJCNWYGJFRQ-CABCVRRESA-N 438.521 1.214 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccccc1OC 19817943 DLXCTVLIPLEHDG-DLBZAZTESA-N 432.477 1.176 0 40 IDAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 21927283 KNSMBGGKSVYCCM-UHFFFAOYSA-N 446.577 1.675 0 40 IDAB O=c1oc2ccccc2n1CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 23866074 VWWHLJGSQLDLCP-UHFFFAOYSA-N 445.497 1.720 0 40 IDAB Cc1nc2ccccc2n1CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 24705360 KLAYRHZDZCOXHW-UHFFFAOYSA-N 443.529 1.141 0 40 IDAB CN(C)c1nc(N2CCOCC2)nc(-n2cnc(SCCOc3ccccc3)n2)n1 27739041 SRCJXCYRIFRJIV-UHFFFAOYSA-N 428.522 1.526 0 40 IDAB Cc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 32739204 YVMIAKLXOPMDQN-UHFFFAOYSA-N 443.529 1.418 0 40 IDAB CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 33040288 IPMHZZSVFVTZJV-HNNXBMFYSA-N 426.539 1.830 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)o1 40116495 KDECNLTUWXAADK-IBGZPJMESA-N 435.458 1.312 0 40 IDAB COC(=O)[C@@H](CCSC)NC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1 41154589 QKGSTZFFQCICCQ-CYBMUJFWSA-N 428.507 1.243 0 40 IDAB CCCS(=O)(=O)N1CCC(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CC1 48301816 UQMVEXJZIIDZHV-UHFFFAOYSA-N 443.875 1.841 0 40 IDAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)cn2)n1 48345483 FDMITJRCESJHJD-UHFFFAOYSA-N 445.501 1.428 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 56907942 SVFJSFURWZXFBK-KRWDZBQOSA-N 446.529 1.551 0 40 IDAB CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2C)C1 71889494 OOCMOZYJQZNEAV-GASCZTMLSA-N 426.521 1.913 0 40 IDAB COc1cc2c(cc1OC)CN(CC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)CC2 95427689 NGTFZHBBEZPRSK-MRXNPFEDSA-N 434.518 1.257 0 40 IDAB CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NCc4cccc(F)c4)cn23)C1 96156751 NHDIKJQDZNNBRT-SFHVURJKSA-N 439.495 1.769 0 40 IDAB Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 101391624 HNRXJCZEOHTRIT-NTOJSVKISA-N 443.463 1.927 0 40 IDAB Cc1nn(-c2ccccc2)c(O)c1[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C 104041721 SFXHUNBJRGFEOB-SFHVURJKSA-N 435.362 1.084 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)NCCn3nc(-c4cccnc4)n(C4CC4)c3=O)CC2=O)cc1 206637742 ZKBCERZLFQVDQE-SFHVURJKSA-N 446.511 1.919 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1N1C(=O)CCC1=O 222693837 QGMCZFYNEDDYFM-UHFFFAOYSA-N 443.525 1.855 0 40 IDAB Cn1c(=O)oc2cc(S(=O)(=O)NCCSc3nc(-c4ccccc4)n[nH]3)ccc21 223029785 OITODTKZTUTYIA-UHFFFAOYSA-N 431.499 1.987 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1 226036694 KRVQKYGETZAFMV-UHFFFAOYSA-N 429.495 1.301 0 40 IDAB CCOC(=O)[C@]1(Cc2ccc(O)cc2)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245229649 CLJUXOSYNIMXSO-ISJRUSPKSA-N 426.444 1.951 0 40 IDAB O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CCN(CC4CC4)C[C@@H]13)O2 253399065 IDTUVKSPCDODJL-ZJOUEHCJSA-N 425.529 1.835 0 40 IDAB COCCn1cnc2cc(C(=O)N3C[C@@H](O)[C@H](n4ccc5cc(C(N)=O)ccc54)C3)ccc21 257222177 DSGKYDFCKWWROH-FGZHOGPDSA-N 447.495 1.794 0 40 IDAB CCN(CC)CCCNC(=O)c1nc([C@@H]2CCCN(S(C)(=O)=O)C2)n2ccccc12 306142905 XNVOXHSSEFPUBC-QGZVFWFLSA-N 435.594 1.935 0 40 IDAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCCN1CCOCC1 408624304 VMMFYTIJRQCSFW-UHFFFAOYSA-N 427.542 1.598 0 40 IDAB Cc1cnc(O)n1-c1cccc(-c2noc(CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)n2)c1 547063667 SHZJUKPTQSGMQL-JOCBIADPSA-N 435.440 1.641 0 40 IDAB NC(=O)C1CCN(C(=O)C[C@@H]2OC[C@H]3CN(c4cc(C(F)(F)F)ncn4)CC[C@@H]23)CC1 585109144 ASQVTUYSCUZPKU-KFWWJZLASA-N 441.454 1.451 0 40 IDAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)N[C@H]1CCS(=O)(=O)C1 604418886 MFUGPRONNQXILA-ORAYPTAESA-N 425.466 1.105 0 40 IDAB CC(C)CC(=O)N1CCCN(C(=O)Cn2cccnc2=O)CCNCc2ccccc21 643557554 PSCKBWOVDPMQSU-UHFFFAOYSA-N 425.533 1.645 0 40 IDAB CN(C1CN(c2ccc3nnc(C4CC4)n3n2)C1)S(=O)(=O)Cc1cc(F)ccc1F 1565519126 CTSXSXTZEJNKIH-UHFFFAOYSA-N 434.472 1.930 0 40 IDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 2037880234 WDRLTSAETSYFPJ-NRFANRHFSA-N 447.511 1.313 0 40 IDAB NC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 3378417 CLALAVBNYNKIQE-UHFFFAOYSA-N 429.376 1.778 0 40 IDAB COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 3557168 MCBKOXQWCOVYRJ-UHFFFAOYSA-N 432.498 1.542 0 40 IDAB CCC[C@@H](C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 4893616 ANPZIIYGNUHSSW-OAHLLOKOSA-N 425.551 1.999 0 40 IDAB CCOC(=O)[C@@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1 6578190 KTCDLRSNASOVQY-LLVKDONJSA-N 431.474 1.287 0 40 IDAB aggregator O=C(CN1CSCC1=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 8709575 VDTKCXMRSRICHH-UHFFFAOYSA-N 449.510 1.730 0 40 IDAB CCOC(=O)C1=C(CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)NC(=O)NC1 8939787 HQKHJKLHBZSQRQ-UHFFFAOYSA-N 444.395 1.783 0 40 IDAB O=C(OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCO2 9390448 KRGPFNVGSVPRLL-KRWDZBQOSA-N 437.514 1.963 0 40 IDAB CN(CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)Cc1ccccc1F 9507244 CLINMTLBQITBAZ-UHFFFAOYSA-N 425.464 1.401 0 40 IDAB NC(=O)c1ccc(-c2nnn(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 9643483 CSGLFGKRNUVJML-KRWDZBQOSA-N 434.456 1.574 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1 9704730 WTSLLVUIUZKWRP-UHFFFAOYSA-N 429.498 1.443 0 40 IDAB CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OS(=O)(=O)N(C)C 9761580 ZIEZOMRQVNBQIJ-UHFFFAOYSA-N 446.279 1.357 0 40 IDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CNC1=NS(=O)(=O)c2ccccc21 9798415 YUWYVNHVLWBWOT-UHFFFAOYSA-N 437.525 1.903 0 40 IDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2n1CC 11421438 KIDCQHGVOIBYFJ-AWEZNQCLSA-N 438.575 1.300 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)CCN1 12822993 DZPXVBIWPLYFPP-UHFFFAOYSA-N 443.403 1.958 0 40 IDAB CC(C)C(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 13016164 NQARLXOSVLDHIN-ZDUSSCGKSA-N 446.367 1.443 0 40 IDAB CC(=O)N1CCN(C(=O)CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 14231349 YTDREIUDXLRLLV-LJQANCHMSA-N 429.517 1.982 0 40 IDAB C[C@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)C12CC3CC(CC(C3)C1)C2 15314376 YNPGLEHYRACKIM-NSDYXAQKSA-N 427.549 1.935 0 40 IDAB Cc1ccn(CCC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1 19238041 QNDUMJKTIVFDNV-KRWDZBQOSA-N 438.532 1.366 0 40 IDAB COc1ccc(CN2CCc3c(nc([C@H]4CCN(S(=O)(=O)C(C)C)C4)[nH]c3=O)C2)cc1 19451008 ROZHPDXRMITQPJ-KRWDZBQOSA-N 446.573 1.864 0 40 IDAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CCn3cc(C)cn3)[nH]c2=O)C1 19499107 RPTUACHNPHTKBW-SFHVURJKSA-N 426.521 1.713 0 40 IDAB CCn1nc(CC(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)c2ccccc2c1=O 19523693 JEULGEBQQNQCOY-UHFFFAOYSA-N 446.511 1.552 0 40 IDAB C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C[C@@H](C)O1 20533337 RILZXQYWXZEAHV-ZIAGYGMSSA-N 431.924 1.745 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1 25053517 FOBJUSHVMIKHRL-UHFFFAOYSA-N 429.502 1.851 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)cc1 30586438 MIHIHOOPTWIEQW-HUUCEWRRSA-N 435.468 1.790 0 40 IDAB COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCOCC1 30595753 UMTZKGQVCHUYDT-CYBMUJFWSA-N 433.324 1.470 0 40 IDAB COc1cccc(CNC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)c1 35425709 JYPDXFZVBVHDHM-UHFFFAOYSA-N 448.483 1.206 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCCOCCOCC2)cc1 39988381 SGQTWOBIFXMJBR-IBGZPJMESA-N 426.535 1.040 0 40 IDAB O=C(NCc1ccc(-n2cncn2)nc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 40107055 DOGCEPYAOGBJTH-IAGOWNOFSA-N 426.477 1.261 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc(CN2CCOCC2)c1 48290783 JWCRVBGAOOYTBJ-UHFFFAOYSA-N 441.532 1.318 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CN(C)CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O 57303497 ZMAFYSBOYNROJW-UHFFFAOYSA-N 443.548 1.852 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)CC1 71772356 CLMPRMWCWNMXQP-UHFFFAOYSA-N 439.472 1.865 0 40 IDAB COc1ccc([C@@H](C)NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(C)c2)C3=O)cc1 98213164 ZYWGZGVXALGAOG-QGZVFWFLSA-N 449.511 1.895 0 40 IDAB COCCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cc(S(N)(=O)=O)ccc21 100873033 ADULVPJPCVFUPI-BSBNDGSWSA-N 449.510 1.264 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 105348203 DOUIWKYWWJPRLI-ONYWJIHRSA-N 439.899 1.950 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)s1 222745441 XPRDLWGBBBEUNJ-NSHDSACASA-N 444.560 1.905 0 40 IDAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC 408698920 SXDUIZVWJQZVHF-UHFFFAOYSA-N 427.504 1.283 0 40 IDAB CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)co1 534425610 MMERNGRMSRCAHG-QGZVFWFLSA-N 425.482 1.472 0 40 IDAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCC(=O)N3CCc4ccccc43)n(C)c2)C1 592621283 TZZBLECZZAGMBV-MRXNPFEDSA-N 444.557 1.765 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618255234 ACPAQMIRKLEYNL-UHFFFAOYSA-N 427.910 1.928 0 40 IDAB CS(=O)(=O)c1ccc(CN[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(-c3cccc(F)c3)nn2)cc1 1549162874 XPAPDYCLRWUUIF-PWRODBHTSA-N 446.504 1.406 0 40 IDAB CC(C)NC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 8671361 DPKPFUNWJPOARR-UHFFFAOYSA-N 431.496 1.981 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 8816114 MYKLRRWPGUZPPS-HNNXBMFYSA-N 447.488 1.838 0 40 IDAB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1 8897650 AFGBCNSSACMUGD-UHFFFAOYSA-N 449.504 1.614 0 40 IDAB NC(=O)Nc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 9144721 NHISCFFWTPEBEL-GOSISDBHSA-N 445.497 1.550 0 40 IDAB O=C(Cn1c(=O)n(CC(=O)N2CCCCC2)c(=O)c2sccc21)NCc1ccccc1 9409815 DCCAQOYZNGLBJC-UHFFFAOYSA-N 440.525 1.554 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2CCC(c3nc4ccccc4s3)CC2)n(C)c1=O 9731367 FINDWNMFRIPSIT-UHFFFAOYSA-N 438.513 1.450 0 40 IDAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 9870285 BNPGUAQCIBJRLB-IBGZPJMESA-N 429.498 1.371 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cnc2c(cnn2C(C)C)c1 10366577 PDYNCTRYXSVRTK-UHFFFAOYSA-N 425.493 1.812 0 40 IDAB Cc1nnc2ccc(N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)nn12 11696276 NVRSGARWJXECHE-UHFFFAOYSA-N 426.424 1.962 0 40 IDAB COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)NCc1cccnc1 11904181 WIZLNIPSMKQGLK-UHFFFAOYSA-N 439.515 1.271 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029404 BFDZDSPCWVUHCJ-MRXNPFEDSA-N 437.495 1.306 0 40 IDAB NC(=O)C1CCN(C(=O)CN2CC3(CCOCC3)Oc3ccc(Cl)cc3C2=O)CC1 12087130 SZJGFPUDNNAKNH-UHFFFAOYSA-N 435.908 1.448 0 40 IDAB C[C@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 12535918 RJIHXKFLEKJBHO-LBPRGKRZSA-N 425.484 1.890 0 40 IDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccnc1Sc1ccccc1 13017947 CUKCGZGYWPAPEQ-OAHLLOKOSA-N 433.555 1.998 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)CCNC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3 13627158 HTDUSXVSSHKMRR-OAHLLOKOSA-N 442.516 1.471 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@H]1c1cccs1 20559128 LWUVKDRKCBVURF-SFHVURJKSA-N 444.513 1.970 0 40 IDAB O=C(NCCNS(=O)(=O)c1cccs1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 20723006 OEVIDZKXVYYIHQ-LBPRGKRZSA-N 427.935 1.849 0 40 IDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)CS2 23078693 NKJMDGHRLHAUDV-CRAIPNDOSA-N 445.513 1.252 0 40 IDAB COc1cc(C(=O)OCC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc2c1OCCO2 27873074 ASPXEUPWHLODGI-OAHLLOKOSA-N 429.425 1.922 0 40 IDAB COc1ccc(Cl)cc1NC(=O)Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O 65237537 PELTVOAVHRXPMP-UHFFFAOYSA-N 441.893 1.170 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCCn2c(=O)[nH]c3ccccc32)C(C)C)c1 79022707 BDMVSAWNYNRIGO-HXUWFJFHSA-N 440.500 1.918 0 40 IDAB CC(C)(C)OC(=O)N1CCN(c2nc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)n[nH]2)CC1 95405850 IZZBRCFFPNNIIS-AWEZNQCLSA-N 441.492 1.926 0 40 IDAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1ccc3ncccc3c1)C2 96050459 UWXXWUZPBRBARP-QHCPKHFHSA-N 432.484 1.448 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc(O)c4c(n3)CN(C(=O)C3CC3)CC4)C2)CC1 100238991 AIIWSAXHZNLGBY-ZACQAIPSSA-N 428.533 1.998 0 40 IDAB C[C@H](C(=O)NCc1ccco1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222818120 UCLLRGDBBAEUBG-CQSZACIVSA-N 441.937 1.858 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 225675985 PECOJSLBMJEHCM-UHFFFAOYSA-N 436.467 1.974 0 40 IDAB CCN1C(=O)[C@@H]2[C@H](c3ccccc3F)N[C@](Cc3ccc(O)cc3)(C(=O)OC)[C@@H]2C1=O 229995028 DVARYMCFDJNTDD-KGYLXKDPSA-N 426.444 1.951 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)NCCN3c4ccccc4N(C)S3(=O)=O)CC2=O)cc1C 239611733 FCLRXIMZYHUZMC-QGZVFWFLSA-N 442.541 1.974 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 248330309 FLEBKTDYCMBGPX-UZUQRXQVSA-N 428.533 1.427 0 40 IDAB O=C(c1cc(C(F)(F)F)[nH]n1)N1CCC(c2n[nH]cc2C(=O)N2CCOCC2)CC1 257247356 IYPVEUANZPCYGJ-UHFFFAOYSA-N 426.399 1.644 0 40 IDAB Cn1nc([C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)cc1CCOc1ccccc1F 257255568 KHZGAHWCXDMDIA-FQEVSTJZSA-N 441.463 1.488 0 40 IDAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1cccc(N2CCCC2=O)c1 257281293 OOLUFLHROYHMIC-JOCHJYFZSA-N 434.540 1.929 0 40 IDAB CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)c1cnc3cc(C)nn3c1N)CC[C@H]2O 257300483 RUMPJWAWCOTDKH-HIUFNZKISA-N 448.527 1.457 0 40 IDAB COC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)OC)C1=O 408549784 YZGLMXGZQROPQZ-IZZDOVSWSA-N 427.207 1.067 0 40 IDAB CCOC(=O)c1c(NC(=O)CN2CCC[C@H](c3nc(C)no3)C2)sc(C(N)=O)c1C 505553017 HLYPNLBMZDVYAB-LBPRGKRZSA-N 435.506 1.842 0 40 IDAB CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)ccc1OC 575420774 DYHZCFFQAOOYRC-INIZCTEOSA-N 448.607 1.614 0 40 IDAB COc1ncc(CN2CC[C@H]3[C@H](CC(=O)NCCc4cn(C)cn4)OC[C@H]3C2)cc1C 585109153 AXIXQBQOWKGWPX-NRSPTQNISA-N 427.549 1.718 0 40 IDAB O=C(C[C@H]1C[C@H]2O[C@H](CNC(=O)NC3CCCCC3)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 604381884 SUHVVTKOKHNOPM-GIGYVVOSSA-N 449.523 1.750 0 40 IDAB biogenic,in-vitro CS(=O)(=O)Nc1cccc(NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)c1 642655447 ZMZSPYSYGCCHIR-UHFFFAOYSA-N 445.544 1.393 0 40 IDAB CN(CCOC(=O)Cn1cnc2ccccc2c1=O)C1=NS(=O)(=O)c2ccccc21 1066544 DSFDHOQALWRIPK-UHFFFAOYSA-N 426.454 1.021 0 40 IDAB CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Br)cc1 1252548 VELLQBKHOJLNSX-JTQLQIEISA-N 441.307 1.348 0 40 IDAB COc1cc(OC)cc(C(=O)NN2C(=S)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(N)=O)c1 1443876 SIOAFLYDHGYULL-INIZCTEOSA-N 446.460 1.365 0 40 IDAB CCOC(=O)c1ccc(N2CN=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n3C2)cc1 3220218 NOJWWZXLZKNGDK-ZCXUNETKSA-N 434.477 1.292 0 40 IDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 4144097 RCUFOYSENDCYLU-UHFFFAOYSA-N 429.420 1.400 0 40 IDAB Cc1cccc2nc(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc(=O)n12 9442812 ZEKYIWYJJMWYCG-UHFFFAOYSA-N 426.498 1.969 0 40 IDAB CC(C)CNC(=O)NC(=O)COC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 9544617 VTSCDJZBTTZXPT-BOPFTXTBSA-N 438.444 1.956 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2c(F)cccc2F)CC1 9570149 RMABVTSDIRVAHG-UHFFFAOYSA-N 439.484 1.855 0 40 IDAB Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@@H]1CNC(=O)C(=O)NC1CCCCC1 9577654 BHZTYSGVSZXUFZ-GOSISDBHSA-N 441.525 1.436 0 40 IDAB COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)c1 9667739 IZQORSHFYKQWRV-UHFFFAOYSA-N 448.501 1.299 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CCO)cc1N(C)S(=O)(=O)c1ccc(C)cc1 9971437 WQSMBGYFNNPWDH-UHFFFAOYSA-N 428.532 1.442 0 40 IDAB CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)NC2c3ccccc3-c3ccccc32)C1=O 11349630 SJLWROBRSOWSGR-QGZVFWFLSA-N 427.482 1.228 0 40 IDAB Cc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 11404585 HSNSZBUDZIWYGB-UHFFFAOYSA-N 446.525 1.532 0 40 IDAB COCCN(C(=O)c1cc2cc(Br)ccc2oc1=O)[C@H]1CCS(=O)(=O)C1 11990892 IFDCTSURHZEBHZ-ZDUSSCGKSA-N 444.303 1.831 0 40 IDAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccccc1 11997547 QRMKIUYYCTWFJV-SFHVURJKSA-N 437.543 1.334 0 40 IDAB CC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)c1 12029837 BQCNGFUKMBXTOO-GOSISDBHSA-N 436.511 1.858 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)CC(=O)c2cc(C)ccc2O3)CC1 12086725 BMTHXQMLYWKMID-OSPHWJPCSA-N 441.528 1.791 0 40 IDAB COC[C@H](CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)OC(=O)c1ccccc1 19638434 BEYGRJFMKKXYLN-SFHVURJKSA-N 443.525 1.625 0 40 IDAB CNC(=O)c1cnc([C@@H]2CCN(C(=O)Cn3c(=O)oc4cc(Cl)ccc43)C2)nc1C 19757496 SABQCWADQDOIGI-GFCCVEGCSA-N 429.864 1.722 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2cc(OC)c(OC)cc2N(C)S(=O)(=O)CC)CC1 22252936 JWIDYCFCBQMSKZ-UHFFFAOYSA-N 443.522 1.404 0 40 IDAB C[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O 23840435 QKWXXQSPUCSYHI-QFIPXVFZSA-N 442.541 1.824 0 40 IDAB O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608370 FIKNQXKOLIQFFR-UHFFFAOYSA-N 429.970 1.330 0 40 IDAB COCCNC(=O)c1cc(Br)c(C(=O)NCCOC)cc1Br 27337364 CPLICXBCUOMBSR-UHFFFAOYSA-N 438.116 1.964 0 40 IDAB COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(F)c3)c2=O)cc1OC 40478212 HVKQLUHHPSKULU-UHFFFAOYSA-N 438.419 1.831 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@](C)(O)c3ccc(F)cc3F)C2=O)cc1 72285037 IYXUVHXMHFKKKJ-FGZHOGPDSA-N 447.438 1.764 0 40 IDAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 72394894 RSBYMKVOJDFEBD-YJBOKZPZSA-N 425.485 1.885 0 40 IDAB C[C@H](C(=O)N1CCCCC1)N1CCN(c2ncnc3c2c(Br)nn3C)CC1 79106135 PVDMATAXIBNMCA-CYBMUJFWSA-N 436.358 1.649 0 40 IDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1nc(-c3cccs3)no1)O2 219400655 SKKWARYBNLXVAL-AWEZNQCLSA-N 434.499 1.950 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)CC1 220234024 FTSBLLIYXRADKR-AWEZNQCLSA-N 442.534 1.660 0 40 IDAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(S(C)(=O)=O)cc1 223480897 CLIHIXZZPOHMTQ-ZDUSSCGKSA-N 446.576 1.966 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)CC1 225342622 COKNLIXWLKGTIK-UHFFFAOYSA-N 425.492 1.253 0 40 IDAB Cn1cc(S(=O)(=O)N2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cn1 225597766 GDCBTZYEMGQATQ-UHFFFAOYSA-N 430.452 1.905 0 40 IDAB CN1CCN(CCCNC(=O)c2nc([C@H]3CCCN3C(=O)N(C)C)n3ccccc23)CC1 306126261 DQZVLBVQHRKCFC-LJQANCHMSA-N 441.580 1.520 0 40 IDAB Cn1ccc(C(=O)N2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)n1 306134878 OAKUVHXBEKFHCO-RDPSFJRHSA-N 431.496 1.853 0 40 IDAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCCN1CCOCC1 408593113 MMFLNQCLMXKZSR-UHFFFAOYSA-N 447.557 1.382 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 408652878 DGLXHFDSUHOIJK-JDNLJYLZSA-N 428.441 1.381 0 40 IDAB COC(=O)c1ccccc1C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148459 FBKQOJGLQAEBNQ-UHFFFAOYSA-N 427.379 1.904 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 667270 BQIOGEZTJQLQIX-UHFFFAOYSA-N 437.543 1.876 0 40 IDAB CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1)N1C(=O)c2ccccc2C1=O 8942737 ITPKRXOIVWMUSC-GOSISDBHSA-N 437.452 1.978 0 40 IDAB Cc1ccccc1Cn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C 9409847 NHVVGCIRTFGWKN-UHFFFAOYSA-N 427.530 1.505 0 40 IDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(N2CCCC2=O)cc1 9503878 LTCQYWZOUYYBGT-AWEZNQCLSA-N 426.498 1.557 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)[C@@H]2CCCN2C(=O)c2cccs2)c(=O)[nH]c1=O 9960707 DHNWIMFFRCCOOM-ZDUSSCGKSA-N 433.534 1.638 0 40 IDAB Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 12764017 YAGKPCZIAONRLQ-LBPRGKRZSA-N 445.950 1.699 0 40 IDAB CCc1nn2c(=O)cc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)nc2s1 12794012 BDEDXHSRAJTYLD-IBGZPJMESA-N 427.442 1.409 0 40 IDAB O=C(N1CCOCC1)N1CCN(CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)CC1 12813147 YCVSETIEBFQUCU-HSZRJFAPSA-N 441.532 1.187 0 40 IDAB O[C@@H](CNCc1ccccn1)COc1ccc(OC[C@H](O)CNCc2ccccn2)cc1 13081229 AINKPOUJTGSPRM-SZPZYZBQSA-N 438.528 1.536 0 40 IDAB CCOC(=O)c1ccc(NC(=O)C[C@H]2N=C(N3CCN(c4ccccc4)CC3)NC2=O)cc1 13690718 WVCOKUAKRWMFEQ-HXUWFJFHSA-N 449.511 1.869 0 40 IDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 13719941 YNZKODUHMXPBCV-UHFFFAOYSA-N 437.475 1.460 0 40 IDAB NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16009747 PXGZMBIMSTYNMD-QYUDBREXSA-N 436.443 1.012 0 40 IDAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCCCN1CCOCC1 16479118 GTAMWILVACTNAU-UHFFFAOYSA-N 445.585 1.759 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c2=O)C1 19572889 YDICNNBSRTZFSW-SFHVURJKSA-N 448.520 1.523 0 40 IDAB CN(C)c1ncc(C(=O)N2CC[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)cn1 19702116 IJFQIXFSODFGKY-CYBMUJFWSA-N 440.529 1.504 0 40 IDAB Cc1ccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1S(=O)(=O)N1CCOCC1 23680895 NOANSSPZFAJTLF-BEFAXECRSA-N 439.559 1.408 0 40 IDAB CCOc1ccc(C(=O)COC(=O)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1 24714791 GBHVGSGDIJXSIN-UHFFFAOYSA-N 431.441 1.925 0 40 IDAB CC(=O)NCc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)s1 28050542 CHFMQFFPMDUCAB-UHFFFAOYSA-N 428.580 1.733 0 40 IDAB CCn1c(=O)c2ccccc2n2c(CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)nnc12 32856066 QTTCZPNCKYAJCI-QHCPKHFHSA-N 428.452 1.958 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(NCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 32891467 KSDJFRAOTCYITG-ZDUSSCGKSA-N 437.971 1.086 0 40 IDAB COCCn1c2c(c(=O)[nH]c1=O)[C@H](C(=O)Nc1ccccc1C(F)(F)F)CC(O)=N2 49551636 QYFAUQOJBBSUAW-SECBINFHSA-N 426.351 1.916 0 40 IDAB Cc1cccc(C)c1OCC(=O)N[C@H](C)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 57775006 BOEHVRISTRIMDU-SJORKVTESA-N 438.546 1.039 0 40 IDAB O=C(CN1Cc2ccccc2C1=O)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338805 HPQCIIYIHNTUFC-NRFANRHFSA-N 440.525 1.611 0 40 IDAB CN1CCN(c2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)ncn2)CC1 77200508 ALFGYQBKOADCCY-UHFFFAOYSA-N 444.561 1.655 0 40 IDAB COc1cc(Br)c(S(=O)(=O)NNC(=O)c2cc(C)oc2C)cc1C(=O)O 84081547 CKZZTRBRYPJMLK-UHFFFAOYSA-N 447.263 1.989 0 40 IDAB O=C(NCCN1CCOCC1)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 96155939 ZKUWDXTULCFASO-UHFFFAOYSA-N 448.571 1.719 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc6c(c5)OCO6)no4)[C@H]3C2=O)cc1 101274911 BVSFBAGGHJTHRS-ZWKOTPCHSA-N 448.395 1.967 0 40 IDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(N3CCOCC3)cc1)O2 225005563 VYMWYHYEEDNALI-FQEVSTJZSA-N 431.514 1.997 0 40 IDAB CN1CCN(CCNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3O2)CC1 253595846 JUUQJISEWBASJT-DLQDVTGGSA-N 426.561 1.695 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)COc3ccc4c(c3)CCCC4)[C@H]2O)CC1 257283513 OYQWDVOCLCNWOV-CQOQZXRMSA-N 429.561 1.507 0 40 IDAB O=C(CCCn1cncn1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257324172 WNMYKVKTHNEOME-CQOQZXRMSA-N 441.576 1.748 0 40 IDAB Cc1cc(Nc2cc([C@@H]3CCCN3C(=O)C3CCN(S(C)(=O)=O)CC3)nc(C)n2)[nH]n1 257340444 ZGDVUGUAQXYKRY-KRWDZBQOSA-N 447.565 1.895 0 40 IDAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)c1 408668510 LWLRCILJDIPMFU-HNNXBMFYSA-N 425.441 1.679 0 40 IDAB O=S1(=O)CC[C@H](N2CCC(NS(=O)(=O)c3ccccc3Br)CC2)C1 575414451 JMFYXFKFTITIQZ-ZDUSSCGKSA-N 437.381 1.379 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N[C@H]3CS(=O)(=O)C[C@H]3O)cc2)c1 575423341 PLJHBUIFHUJOMB-JKSUJKDBSA-N 442.515 1.074 0 40 IDAB O=S1(=O)CCCCN1c1ccc(S(=O)(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1 1565523844 YKLOGZDQLUZCGQ-GOSISDBHSA-N 443.591 1.102 0 40 IDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1 3016141 BSWWTYOCOKKKJJ-IBGZPJMESA-N 435.546 1.547 0 40 IDAB CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCCOc2ccccc2)CC1 4317979 INILIBPVFBCRKQ-UHFFFAOYSA-N 426.521 1.045 0 40 IDAB CCN(CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCCOC 6193377 SEHWSQHZYNUSRO-UHFFFAOYSA-N 448.589 1.964 0 40 IDAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 9168389 ZVDWGTIHTPKEER-OAQYLSRUSA-N 425.397 1.592 0 40 IDAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 9223043 CBVNKAMBPZPVDW-KRWDZBQOSA-N 437.566 1.088 0 40 IDAB Cc1ccc(NC(SCC(=O)N2CCOCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C 9974055 SZBYCXYPGSBHRD-UHFFFAOYSA-N 446.529 1.569 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2nnc3ccccn23)CC1 11547266 ZXSOIPACYXYZDB-UHFFFAOYSA-N 432.506 1.094 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)C1 12311246 SLRRFABZUSIOOD-XYJFISCASA-N 438.546 1.900 0 40 IDAB COC(=O)[C@@H](CCSC)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 12850945 CLBVBMTUESGLDM-CQSZACIVSA-N 433.552 1.103 0 40 IDAB CCC(=O)N(c1nnc(SCC(=O)N2CCN(c3ncccn3)CC2)s1)C1CC1 13112248 GXIKDSPJJNURBN-UHFFFAOYSA-N 433.563 1.674 0 40 IDAB CCc1ccc(CN(C)CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 13134601 FQRIZVMEYDXUMP-UHFFFAOYSA-N 435.528 1.824 0 40 IDAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccccc2OC)cc1 13371701 DOQNOCYKPFUMRS-ICSRJNTNSA-N 439.555 1.475 0 40 IDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 13731508 HIGHFYZONSDZFF-HNNXBMFYSA-N 435.506 1.323 0 40 IDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1C 14255417 VUDXUSLMBQXAOB-UONOGXRCSA-N 428.507 1.389 0 40 IDAB O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@H](Cc1ccccc1)N[C@@]21C(=O)Nc2ccc(F)cc21 15972832 CBQPJFYWMQQWAX-BYPPRKSQSA-N 449.482 1.968 0 40 IDAB CC(=O)Oc1ccc(CN2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1 19023069 JPSLGQNJYOGKFU-IBGZPJMESA-N 446.529 1.350 0 40 IDAB COCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccncc1C)CC2 19239471 GFBMIKAXIVXRIG-GOSISDBHSA-N 425.489 1.372 0 40 IDAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C)CC3)cc2c1 19522975 DXJDFRVYYCUAQU-RXVVDRJESA-N 437.548 1.593 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](c3ccnc(-c4cccnc4)n3)C2)CC1 19572278 MJUWPELIFJVDHO-SFHVURJKSA-N 429.546 1.916 0 40 IDAB CCC[C@]1(C(=O)OC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 20150515 YITHMDNOIAFBJL-FSBGXSNOSA-N 434.489 1.690 0 40 IDAB C[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 22916915 VBEWWWCEQXBAIN-RTBURBONSA-N 441.576 1.769 0 40 IDAB Cn1ncc2c(N3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)ncnc21 30762339 QVMVUEGBHPHPBH-UHFFFAOYSA-N 443.352 1.698 0 40 IDAB Cc1ccc2c(c1)[C@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 35363885 FJRWKXNZDUURGR-SIYXTPNISA-N 449.463 1.025 0 40 IDAB biogenic COc1ccccc1N1CCN(C(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)CC1 40286965 KJEPTXSDJPQOBW-UHFFFAOYSA-N 438.484 1.771 0 40 IDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 57296989 NQNNBRVVOMKTDS-UHFFFAOYSA-N 444.557 1.937 0 40 IDAB O=C(NCc1ccnc(Oc2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 57996124 IKRHFEJOFBTPQF-IAGOWNOFSA-N 429.498 1.526 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCCN3C(=O)c3cc[nH]n3)nc2n(C)c1=O 72380208 KUSIYVMNQFRTGL-ZDUSSCGKSA-N 436.394 1.742 0 40 IDAB O=C(c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)N1CCN(Cc2ccncc2)CC1 77100473 YHSBCZKEJADEEO-UHFFFAOYSA-N 433.394 1.914 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4cc(C)nc(C)n4)CC3)C2=O)cc1 100209884 KMUSRNPLYLYYMW-IBGZPJMESA-N 437.500 1.724 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)Cc1ccccc1F 224754571 ACDSIIIRSRWEPQ-UHFFFAOYSA-N 449.548 1.736 0 40 IDAB COc1cccc(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)c1 643565368 YCQHXKQZHSGCCO-KRWDZBQOSA-N 431.533 1.739 0 40 IDAB COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1OC 1587798160 NCOPVONXMMEDED-HSZRJFAPSA-N 446.548 1.501 0 40 IDAB Cc1cccc(OC[C@H](O)CN(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)C(C)C)c1 1681922859 OXJVFNXJZXUNAT-GGPKGHCWSA-N 441.594 1.873 0 40 IDAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCC(COc2ccc3nccn3n2)CC1 1888875944 QDXPSZCOGDPRDM-KRWDZBQOSA-N 427.505 1.374 0 40 IDAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCN(C(=O)c2ccco2)CC1 3275846 FBNINDIHEIUORU-UHFFFAOYSA-N 425.466 1.926 0 40 IDAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 3451344 DMANTVHHICZKIV-SNVBAGLBSA-N 436.442 1.588 0 40 IDAB COC(=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 4536029 DQPXNIBWDJBVFH-PMACEKPBSA-N 438.480 1.621 0 40 IDAB COCCN(C(=O)CN1CCCc2cc(C)ccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9125904 BWUDMCABPQVFEG-UHFFFAOYSA-N 443.548 1.515 0 40 IDAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccccc1 9600273 HHHIWLHUVRKHSJ-KRWDZBQOSA-N 437.905 1.120 0 40 IDAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H](NC(N)=O)[C@@H](C)CC)cc1 9612566 ICRMLBYCFDHVIN-SWLSCSKDSA-N 427.527 1.496 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccncc1 9715261 GFIQHCKVMMWLLH-SFHVURJKSA-N 430.530 1.448 0 40 IDAB C[C@@H](C(=O)NCCCN1CCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 10279790 OPNCDLRKRSEPGJ-INIZCTEOSA-N 425.551 1.605 0 40 IDAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1n[nH]c2ccccc12 11795825 BTWGNHBFUHHWMY-UHFFFAOYSA-N 427.530 1.835 0 40 IDAB COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc(OC)c1OC 12937718 DMPRVADVLFNZAT-UHFFFAOYSA-N 449.529 1.901 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCC(=O)N2CCCC2)cc1 14180378 YSAZPWHOFICEOF-GOSISDBHSA-N 425.551 1.517 0 40 IDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)N1CCN(c2ccccc2OC)CC1 17114534 ISELQUTVVRYRPY-UHFFFAOYSA-N 432.546 1.776 0 40 IDAB CCN1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C(C)C)cc2)CC1 20803096 IQNCUEXCNHVERX-HXUWFJFHSA-N 429.565 1.103 0 40 IDAB CC[C@@H]1CCCCN1C(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 23077385 YHPDKGRUCNPTJT-QGZVFWFLSA-N 439.534 1.600 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 33330796 XTDIMPNTOXUQGZ-GFCCVEGCSA-N 428.470 1.663 0 40 IDAB O=C(NC[C@@H](O)C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1cccnc1 33519510 WHAKNPPQPPCERJ-HXUWFJFHSA-N 431.448 1.971 0 40 IDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1cccn1C 49512747 WJGGIJFCCMQYOD-LJQANCHMSA-N 447.561 1.095 0 40 IDAB CCN1CCC[C@H]1CNC(=O)C1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 58344820 RNQXEWSQEMWESM-FQEVSTJZSA-N 444.580 1.763 0 40 IDAB COc1cc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1OCC(F)(F)F 72294580 NQUGBSUPDCQWAD-MRXNPFEDSA-N 431.455 1.659 0 40 IDAB O=C([C@@H]1CCc2cn[nH]c2C1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 72302708 QOGJWQWNNXXTJJ-GFCCVEGCSA-N 432.531 1.052 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 72373092 FJTKEDWHROHOEC-ZWKOTPCHSA-N 430.549 1.561 0 40 IDAB Cc1cc(C(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)c(=O)[nH]c1C 72394929 AIQDGWGGNFNOPV-AEFFLSMTSA-N 426.517 1.461 0 40 IDAB Cc1cc(O)cc(=O)n1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 96116789 KMLZVFFPQWVZJF-UHFFFAOYSA-N 439.921 1.439 0 40 IDAB CN(Cc1ccccn1)C(=O)c1ccc2nnc([C@@H]3CN(c4ncccn4)CCN3C)n2c1 107189448 WTZMYZOAXVAICT-IBGZPJMESA-N 443.515 1.680 0 40 IDAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccc(F)c(F)c4)C3)C2=O)o1 225397409 XNZQVNLXHLXWOT-BEFAXECRSA-N 431.439 1.425 0 40 IDAB biogenic,in-vitro Cc1c(C)n(C)c2ccc(NC(=O)[C@H]3CN(C(=O)c4ccc(=O)n(C)c4)CCN3C)cc12 257256107 KKCUTUDALCGZGT-OAQYLSRUSA-N 435.528 1.889 0 40 IDAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC3(N4CCOCC4)CCC3)cc21 1775973895 JNHRMOIARQUHJI-UHFFFAOYSA-N 442.560 1.931 0 40 IDAB CCCc1nc(SCC(=O)Nc2ccccc2OC)c2c(=O)n(C)c(=O)n(C)c2n1 6530459 LAQDZVVOXGEPOJ-UHFFFAOYSA-N 429.502 1.719 0 40 IDAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 8219451 VPMXFGZPBGJWNX-OAHLLOKOSA-N 425.551 1.977 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)cc1 9109703 DPJYGCOINDOQIA-AWEZNQCLSA-N 425.445 1.377 0 40 IDAB CC(=O)c1ccc(NC(=O)[C@@]2(CC(=O)O)CC(c3ccc(OCC(N)=O)cc3)=NO2)cc1 9129582 ZZBKUFLCPSLZKT-QFIPXVFZSA-N 439.424 1.730 0 40 IDAB NC(=O)c1c(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCC2 9584547 WTRZCXOWLOVSEC-NSHDSACASA-N 431.470 1.459 0 40 IDAB CCCCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1=O 12523033 ZPWQEWNOZYVYDM-UHFFFAOYSA-N 432.452 1.268 0 40 IDAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12531422 ORLCDPTWBAMXNK-OAHLLOKOSA-N 445.570 1.491 0 40 IDAB CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O 12556302 KAFUEPKWLBRKLE-KRWDZBQOSA-N 436.534 1.361 0 40 IDAB COC(=O)[C@](O)(COC(=O)c1cccc(Cl)c1)[C@@](O)(c1nccn1C)C(F)(F)F 12558702 HALOWZHOEAFVJB-CVEARBPZSA-N 436.770 1.585 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C2=O 12568677 RHJRDZFEYRBQAP-UHFFFAOYSA-N 442.925 1.540 0 40 IDAB CN(CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)Cc1cnn(Cc2ccccc2)c1 14129231 BMBGUPRGDYQVHE-XMMPIXPASA-N 446.511 1.862 0 40 IDAB CC(C)CN(C(=O)CN1C[C@H](C)O[C@@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 15350068 IBBJBLZPEMJOFZ-IRXDYDNUSA-N 443.548 1.265 0 40 IDAB C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)C12CC3CC(CC(C3)C1)C2 16162416 SBBVKIGJEPKJGT-HDDXYUSQSA-N 442.516 1.541 0 40 IDAB Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1 19552705 ACGLMOCARDSHAA-AWEZNQCLSA-N 436.520 1.568 0 40 IDAB CC(=O)NCC(=O)N1CCC[C@@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 19765333 BTHMQEWTGQJEST-QGZVFWFLSA-N 427.480 1.696 0 40 IDAB Cn1c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 20588689 LDNGXOJWSVZYJH-UHFFFAOYSA-N 430.512 1.872 0 40 IDAB O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@H](Cc1ccc(O)cc1)N[C@@]21C(=O)Nc2ccccc21 20758807 RCCFYGVMSRDYLO-IJEZHKBASA-N 447.491 1.534 0 40 IDAB biogenic Cc1ccc(C)c(S(=O)(=O)N2CCN(CN3C(=S)N(C4CC4)C(=O)[C@H]3C)CC2)c1 32809979 HNDQWIOEKGADEF-MRXNPFEDSA-N 436.603 1.547 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)NC[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 54363272 CVSRMHCKOVFFDV-HNNXBMFYSA-N 442.559 1.966 0 40 IDAB CC(=O)N[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 58179353 RFZNCRHZOLDESD-IBGZPJMESA-N 435.546 1.417 0 40 IDAB CCOC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 71285667 FWYTVXXUHSXUOL-UHFFFAOYSA-N 437.928 1.472 0 40 IDAB CCOc1ccc(Br)cc1S(=O)(=O)NCCn1cnc(CC)cc1=O 77100928 WNUGKPILWYBITB-UHFFFAOYSA-N 430.324 1.945 0 40 IDAB CCN(Cc1c(F)cccc1F)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 79112004 KHHAPMASRJKJTF-LBPRGKRZSA-N 425.457 1.779 0 40 IDAB COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cccc(CS(N)(=O)=O)c1 83843882 HGYOJXCRMNTLKP-INIZCTEOSA-N 430.404 1.879 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 95961235 PRWOXAOZVKIESQ-UHFFFAOYSA-N 445.520 1.084 0 40 IDAB O=C(NCCN1CCOCC1)[C@H]1C[C@@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 96144494 SJUCXFVEAOAIRX-RDGATRHJSA-N 435.524 1.822 0 40 IDAB O=C(NCCc1ccccn1)c1cn(-c2nc(CN3CCOCC3)c3ccccn23)cn1 96155551 RHACVGPZPRPKCH-UHFFFAOYSA-N 431.500 1.720 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 225542358 QQSKPFATUVQLJV-UHFFFAOYSA-N 430.486 1.991 0 40 IDAB COC(=O)[C@]1(C)[C@H](O)C[C@H](O)[C@]2(C)c3c(O)cc(C(C)C)cc3[C@H](O)[C@@H](OC(C)=O)[C@H]21 252506820 VUPPXNVTSLGJHE-WESWUZCZSA-N 436.501 1.673 0 40 IDAB biogenic,in-vitro O=C(CN1CCOCC1)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257242157 IBIJFPWGNHPSBS-HXUWFJFHSA-N 434.924 1.917 0 40 IDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(=O)OCC)CC2)cc1 408559564 WALDTGPPJRNCDL-UHFFFAOYSA-N 426.535 1.946 0 40 IDAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCCCn2ccnc2)c(Cl)c1 408635561 DVEFZZKWJDMBGA-UHFFFAOYSA-N 430.914 1.047 0 40 IDAB CN(Cc1cnc2n1CCOC21CCN(C(=O)c2cccn(C)c2=O)CC1)CC1CC1 1565555563 CVOMDPQSJNDZPU-UHFFFAOYSA-N 425.533 1.585 0 40 IDAB COCCN1C(=O)CC2(CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)n2nccc21 1772596195 UBTYAZABYKJFFJ-UHFFFAOYSA-N 440.472 1.724 0 40 IDAB CC[C@@]1(OC(=O)CN(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1 1625748 RJACMXMBRAPENC-DEOSSOPVSA-N 448.479 1.774 0 40 IDAB Cc1c(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 3435212 ZYOPDVMHXBLZGX-UHFFFAOYSA-N 447.451 1.414 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](Nc2cccc(C)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4256080 GMHYNAOFGRHEHB-ZPAWYTMASA-N 437.445 1.490 0 40 IDAB CO[C@H]1O[C@@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H](OC(=O)Nc2ccccc2)[C@H]1O 5063454 WZZMKLDDQSFZBY-JKEDJMADSA-N 432.429 1.946 0 40 IDAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 6149003 VVBTZGMKATXXKF-UHFFFAOYSA-N 430.490 1.050 0 40 IDAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 8848719 QQTMVCLGSFAUHL-AWEZNQCLSA-N 429.424 1.537 0 40 IDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8936183 KSKPRWUBPBLJBW-UHFFFAOYSA-N 425.489 1.748 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@]34C=C[C@H]2O4)cc1OC 9303223 WNDGURXLUQSKEF-YPHICONVSA-N 439.468 1.646 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@]34C=C[C@H]2O4)cc1OC 9303224 WNDGURXLUQSKEF-UGTJMOTHSA-N 439.468 1.646 0 40 IDAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2ccc(Br)cc2)N(C)S(=O)(=O)N1 12131245 RTOLRMDBMARRNA-LSDHHAIUSA-N 442.339 1.709 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCCCC2)c2c(C(N)=O)nc(-c3ccc(C)s3)nc21 12276809 AEJWWZVFTLOETI-UHFFFAOYSA-N 428.518 1.761 0 40 IDAB CC(C)c1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 12444985 RXTUERJQGKNCPJ-UHFFFAOYSA-N 447.561 1.247 0 40 IDAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)N1CCN(CCOc2ccccc2)CC1 12781602 UXSNHAPKWLYXQM-UHFFFAOYSA-N 436.556 1.668 0 40 IDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(CCNS(C)(=O)=O)s1)C2=O 12813058 NSQVMZZEIWPYIX-SGTLLEGYSA-N 427.548 1.523 0 40 IDAB C[C@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(S(N)(=O)=O)cc1 13011981 JIVNWTZVAYNJFX-ZDUSSCGKSA-N 445.522 1.873 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)CC(=O)Nc1cccc(F)c1 13039447 UNAFZIHZGSKKTL-UHFFFAOYSA-N 436.509 1.893 0 40 IDAB COc1ccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)CC2=O)cc1 20724487 YRDDYUNWICCVEL-OAHLLOKOSA-N 449.554 1.643 0 40 IDAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3ccccn3)C(=O)[C@H]1C2 36585241 FYNRDLLNRASIOY-GOSISDBHSA-N 438.484 1.884 0 40 IDAB Cc1ccc(-n2cnnn2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 40142394 ZFWYEYSVFOQGCL-UHFFFAOYSA-N 441.517 1.159 0 40 IDAB COc1ccc(CN2CCN(C(=O)COc3coc(C)cc3=O)CC2)c(OC)c1OC 72405298 XIHLODQVXZXPEE-UHFFFAOYSA-N 432.473 1.697 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN(c3ccc(-n4cncn4)nn3)C1)CC2 96124131 VPOPIJVQGOBNJM-KRWDZBQOSA-N 449.515 1.876 0 40 IDAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2nc(C3CC3)no2)c(OC)c1 97230106 GHDDDJMZDYJGMI-UHFFFAOYSA-N 430.508 1.586 0 40 IDAB C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCO[C@@H](C)C4)nc3)cn2)CCO1 195529224 GAMWQFGQIWCWQN-ROUUACIJSA-N 440.548 1.926 0 40 IDAB Cc1cc2ncc3c(n2n1)CCN(C(=O)CCNS(=O)(=O)c1c(F)cccc1F)C3 208035716 FXNBVWKZYQRWNO-UHFFFAOYSA-N 435.456 1.569 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222890484 GRYNMWITEUEKMA-INIZCTEOSA-N 435.521 1.798 0 40 IDAB C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222895113 QSWZKRQVWWCGFW-HNNXBMFYSA-N 436.509 1.146 0 40 IDAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)C(=O)NCc2cccnc2)cc1 222969554 SHGOUIZAYIWZCS-INIZCTEOSA-N 448.545 1.015 0 40 IDAB CS(=O)(=O)N(CCCC(=O)NCCCN1CCCC1)c1ccc2c(c1)OCCO2 224266721 YBDOCQFCZYBEJQ-UHFFFAOYSA-N 425.551 1.606 0 40 IDAB CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](N3C(=O)COC3=O)C2)cc1 225700778 DTGXDCHGJQNRGC-HNNXBMFYSA-N 437.518 1.232 0 40 IDAB Cc1c(C(=O)N2CCCN(S(=O)(=O)c3cn(C)cn3)CC2)cnn1-c1ccccc1 238866466 LWQQHLBVQUWUAV-UHFFFAOYSA-N 428.518 1.451 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@H](CO)[C@H](O)[C@@H]1O 240068193 SMWDBPKQNHBCGZ-MBJXGIAVSA-N 433.301 1.047 0 40 IDAB O=C1CCc2cc(S(=O)(=O)NC[C@H](O)c3ccc4c(c3)OCCO4)cc3c2N1CC3 253472827 PSNWMZOQXNBHTQ-KRWDZBQOSA-N 430.482 1.305 0 40 IDAB CCOCC(=O)N1CC[C@@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306129865 IPDGWCDQWAQPOZ-OAQYLSRUSA-N 431.514 1.673 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(C(N)=O)CC2)cc1 408594312 PTEVLRHNYNFZHN-HXUWFJFHSA-N 429.542 1.609 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCOCC3)C2)cc1Cl 408595690 SPWGEHDATDYGNA-HNNXBMFYSA-N 445.969 1.198 0 40 IDAB Cc1cc(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)ccc1Br 408619443 MMWQGQVJOOQKCG-UHFFFAOYSA-N 429.340 1.927 0 40 IDAB O=C(NC[C@H]1CC(=O)N(C2CC2)C1)C(=O)Nc1ccc(F)cc1I 505275320 RKMJNTZLDFNPEG-SECBINFHSA-N 445.232 1.496 0 40 IDAB O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCC(S(=O)(=O)N2CCCC2)CC1 506524533 OCUCHBILEMBOJF-FQEVSTJZSA-N 433.574 1.637 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(c1cccc(O)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575421082 HOJUARLTUPAVCM-CVEARBPZSA-N 427.500 1.062 0 40 IDAB COc1cc(CNC[C@]2(O)CN(C(=O)c3ccccc3)CC[C@H]2O)cc(OC)c1OC 585288964 BNPYIGPGNNCFTB-OFNKIYASSA-N 430.501 1.440 0 40 IDAB COc1cccc(NC(=O)c2nc3c(s2)CCN(S(=O)(=O)c2cn(C)cn2)CC3)c1 1258994789 CJUPYZMQZADTHL-UHFFFAOYSA-N 447.542 1.927 0 40 IDAB COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 1223355 SAUAHMGDJUVHOI-UHFFFAOYSA-N 427.442 1.951 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1 1363489 ILUNLDBQWXTCLO-HNNXBMFYSA-N 443.591 1.396 0 40 IDAB Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1Cl 2351747 CYBSLSZNCAHVRY-UHFFFAOYSA-N 438.922 1.691 0 40 IDAB COc1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1 2617937 YFOZXRLUDKEKET-UHFFFAOYSA-N 434.470 1.626 0 40 IDAB CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Br)cc2)CC1 6194041 CXQIGSXJHOOMHL-UHFFFAOYSA-N 447.337 1.376 0 40 IDAB CCC(CC)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 6294186 KQOVEGBSEBBUSX-UHFFFAOYSA-N 427.505 1.359 0 40 IDAB Cc1c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(=O)n(-c2ccccc2)n1C 6552937 BQJJEDYSYXCXTR-PEBXRYMYSA-N 425.489 1.924 0 40 IDAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)[C@H](C)CC)c12 9059124 XNCFSPASXCGLFC-LRTDBIEQSA-N 432.473 1.774 0 40 IDAB biogenic COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 9478522 WEYARUAFUNRDAO-HSZRJFAPSA-N 439.468 1.940 0 40 IDAB CCOc1ccnc2c1c(=O)n(CC(=O)Nc1ccc(Br)cc1)c(=O)n2C 9571943 YTUQYXQPCDBTPC-UHFFFAOYSA-N 433.262 1.895 0 40 IDAB COc1ccc(CCn2c(C)cn3c4c(=O)n(CC(C)=O)c(=O)n(C)c4nc23)cc1OC 9713068 VGVVNFQPZFAJJY-UHFFFAOYSA-N 439.472 1.307 0 40 IDAB COc1ccc(C(=O)NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 9788320 FQXNVFWSVXQIBV-UHFFFAOYSA-N 427.381 1.805 0 40 IDAB Cn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 9820270 CHSIRJYRMZYOTL-UHFFFAOYSA-N 436.399 1.815 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 9883667 HNQJGTIUOMEYCP-KBPBESRZSA-N 447.513 1.960 0 40 IDAB C[C@]1(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)CCS(=O)(=O)C1 9909778 HEXYVWQKOGWEAZ-LEWJYISDSA-N 429.498 1.300 0 40 IDAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1ccccn1)CS(=O)(=O)C2 10250596 OLFHOIXPMNWZBK-UHFFFAOYSA-N 425.470 1.259 0 40 IDAB CCN(CC(=O)NC(C)C)C(=O)COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 11509650 WKPWZBJPUFCPIA-UHFFFAOYSA-N 431.411 1.352 0 40 IDAB Cn1c(CCC(=O)NCc2cccnc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12506998 IOIUJGOHUCNFJE-UHFFFAOYSA-N 443.529 1.238 0 40 IDAB CC1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O 12897644 KPKBZERCPCEHII-UHFFFAOYSA-N 444.513 1.003 0 40 IDAB O=S(=O)(c1cccs1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 15884096 CMJUBFDYGYAZPP-UHFFFAOYSA-N 427.515 1.783 0 40 IDAB COc1ccc(C)cc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccccc1 15932476 LDKOVHKKWWCFRI-UHFFFAOYSA-N 445.541 1.923 0 40 IDAB O=C(CSc1nnc(SCC(=O)NC[C@H]2CCCO2)s1)NC[C@@H]1CCCO1 17861574 VUOQVGLESHKTSD-TXEJJXNPSA-N 432.593 1.313 0 40 IDAB C[C@@H](N[C@@H]1CCS(=O)(=O)C1)C(=O)N(C)Cc1nc(C2CC2)ncc1-c1ccccn1 19077445 INQWAPWCJAPJKZ-GDBMZVCRSA-N 429.546 1.540 0 40 IDAB O=C(C[C@@H]1CCCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339521 YOLNVQXMWBOMAB-OALUTQOASA-N 437.544 1.998 0 40 IDAB COc1ccc(F)cc1-c1ccccc1C[C@H]1CN(S(=O)(=O)N(C)C)CCNC1=O 19583735 DMLMXPNATCQSCA-INIZCTEOSA-N 435.521 1.898 0 40 IDAB CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)CN2CCCCC2)CCO1 19702946 GSOYFBYFXUKCHU-QGZVFWFLSA-N 446.573 1.746 0 40 IDAB Cc1nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2CCc1ccccc1 19739017 TYZNDDCMQVTJAF-SFHVURJKSA-N 443.573 1.903 0 40 IDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1cccc(C(=O)OC)c1 24454630 ALUFQGGJRKJSNV-UHFFFAOYSA-N 433.486 1.612 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 32892749 YMFJAAUPEBIQNZ-FQEVSTJZSA-N 445.541 1.535 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1N1C(=O)C[C@@H]2CS(=O)(=O)C[C@@H]21 32912723 JXYKRESUSZAOIM-CJNGLKHVSA-N 428.532 1.020 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccccc2)cc1OC 35531758 OPZDUCCGAXVTLG-UHFFFAOYSA-N 434.514 1.754 0 40 IDAB CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)[C@H]3CCS(=O)(=O)C3)n2)cc1 58045447 QODRURAEIYAQRM-LBPRGKRZSA-N 429.545 1.434 0 40 IDAB CN(Cc1cccc(F)c1)C(=O)COC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 58159926 NWEJCVPQAJAHOR-UHFFFAOYSA-N 437.427 1.965 0 40 IDAB CC(=O)N1CCc2nc([C@@H]3CCCCN3CC(=O)N3CCCCC3)nc(N(C)C)c2C1 72372320 WCZZKCXHPMOFTP-FQEVSTJZSA-N 428.581 1.987 0 40 IDAB Cn1nc(C2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)n(-c2ccccc2)c1=O 77100653 IWABKYLQJIZXDP-UHFFFAOYSA-N 449.511 1.796 0 40 IDAB COc1ccccc1-n1nnc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1ccccn1 77199925 NVQAOOFDWHEEIK-UHFFFAOYSA-N 442.501 1.055 0 40 IDAB O=C(NCCNS(=O)(=O)c1cccnc1)c1cnc(OCC(F)(F)F)c(Cl)c1 84425197 HOVCCWBFIAHQTK-UHFFFAOYSA-N 438.815 1.779 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC[C@H]3COCC[C@@H]32)c1 95415667 POHXRZKVUVEXIM-HKUYNNGSSA-N 437.562 1.474 0 40 IDAB COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1C 206729018 JJEWUYDHRXFKBQ-UHFFFAOYSA-N 447.561 1.450 0 40 IDAB COc1cccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 223990173 DZVSDQNCPVFUCZ-UHFFFAOYSA-N 436.486 1.428 0 40 IDAB O=C(COc1ccccc1F)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224491409 HQYAVAPHUPMDEI-UHFFFAOYSA-N 438.477 1.421 0 40 IDAB C[C@]12C[C@@H](c3ccccc3)C[C@](CO)(CC[C@@H](NS(=O)(=O)c3cccnc3)[C@@H]1O)O2 257301979 SAWBFTHXYCVJBC-ICGSVKGVSA-N 432.542 1.967 0 40 IDAB COCC(=O)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(C(=O)c1ccccc1)CC3 306138609 SBXMAPNGPKRZTJ-UHFFFAOYSA-N 436.512 1.253 0 40 IDAB Cc1cc(C)n(CCOc2ccc(CN3CC[C@](O)(CN4CCN(C)CC4)C3)cc2)n1 585271349 WVPMLTWIHMUXQR-DEOSSOPVSA-N 427.593 1.763 0 40 IDAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3nn[nH]n3)[C@@H]21 604406045 ZCXSRPDVLKFJCC-GOSISDBHSA-N 449.427 1.361 0 40 IDAB biogenic CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCC(=O)OC)cc2)cc1 3230015 OFXRUXKBSJUPCP-UHFFFAOYSA-N 436.486 1.578 0 40 IDAB O=C(CN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccccc1 4374852 DDUXSCVKVNJZMM-IBGZPJMESA-N 445.541 1.289 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4403058 XVGNADCCCZEHRJ-ZPAWYTMASA-N 438.429 1.457 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)Nc3nccs3)n2Cc2ccccc2)n(C)c1=O 6444952 WZVFEILBVDXVTD-UHFFFAOYSA-N 442.526 1.669 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1CN(CCCO)C(=S)NC[C@@H]1CCCO1)OCCO3 6445105 GXCSBGCJCLVMHA-INIZCTEOSA-N 433.530 1.537 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 8852758 ZUVXDOXGZDAJJR-UHFFFAOYSA-N 430.427 1.876 0 40 IDAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 10717345 SVMMRDBNRYPAFM-UHFFFAOYSA-N 448.453 1.232 0 40 IDAB CS(=O)(=O)NC1CCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1 11227756 KDDYGCCHIXBITD-UHFFFAOYSA-N 440.525 1.599 0 40 IDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCCOc1ccc(F)cc1 12392958 WHRPRPLXZBIMEP-UHFFFAOYSA-N 439.509 1.774 0 40 IDAB CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)C1=O 12796930 XQHCPYYEBHOXAO-UHFFFAOYSA-N 448.501 1.807 0 40 IDAB O=C(COc1cccc(-n2cnnn2)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13128917 GIPNKUFXSVVIBP-UHFFFAOYSA-N 428.474 1.464 0 40 IDAB COc1ccccc1-c1noc(COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)n1 14246214 WNHCNZWLIDNPLO-UHFFFAOYSA-N 442.453 1.917 0 40 IDAB O=C1[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 14944992 HUDGZKHOKLTZCH-HTIQSUCMSA-N 435.411 1.986 0 40 IDAB CCOC(=O)/C=c1\s/c(=C\c2c(OC)ccc3ccccc23)c(=O)n1CC(=O)N(C)C 16050367 BDNWABDFIFDJDD-FEQHTUGKSA-N 440.521 1.332 0 40 IDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 18047052 OEFYTIQPPLIYRN-SFHVURJKSA-N 427.484 1.195 0 40 IDAB Cc1cc(-c2cnc(C(C)C)nc2CN(C)S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)on1 19123539 QNTDEHZMZPKALI-CYBMUJFWSA-N 428.536 1.512 0 40 IDAB CC(C)OCCCNC(=O)CSc1nnc(CN2CCCC2=O)n1-c1ccccn1 19352692 SINOHYTUHMUEIY-UHFFFAOYSA-N 432.550 1.808 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCN(C(=O)Cc4cccc(C)c4)C3)[nH]c(=O)c2C1 19520429 RCUOUDVUPJPSSN-QGZVFWFLSA-N 444.557 1.345 0 40 IDAB CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)Cn3cccnc3=O)CCO2)nc2ccccc12 19762873 IRRZDNKJYZBXEQ-OAQYLSRUSA-N 449.511 1.777 0 40 IDAB CCSc1nc2n(n1)[C@@H](c1ccc(OCC(N)=O)c(OC)c1)C(C(=O)OC)=C(C)N2 20190968 UHSPOZUHMXQZQQ-INIZCTEOSA-N 433.490 1.725 0 40 IDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1ccccc1CN1CCOCC1 23806061 LUCAFAHHADILRZ-UHFFFAOYSA-N 448.523 1.207 0 40 IDAB C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 24045418 NXFFCSSBMOMABE-UHFFFAOYSA-N 436.578 1.547 0 40 IDAB O=c1[nH]c2cc(Br)c(S(=O)(=O)NC[C@H]3COc4ccccc4O3)cc2[nH]1 78967566 CQQCWLOOFZGAEK-VIFPVBQESA-N 440.275 1.737 0 40 IDAB CCN(CC(=O)NC(C)C)S(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 84765461 UCPKRRLMAADBKX-GOSISDBHSA-N 425.551 1.964 0 40 IDAB COc1ccc(S(=O)(=O)CCNC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1 95473045 DDWDSKQJZPIJIG-AWEZNQCLSA-N 442.497 1.515 0 40 IDAB O=c1n(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)nc(-c2cccs2)n1C1CC1 96096679 HFIIGGHKGFBEAS-UHFFFAOYSA-N 448.526 1.858 0 40 IDAB COc1cccc(C(=O)N2CCC3(CC2)CC2(CCN(S(C)(=O)=O)CC2)C(=O)N3C)c1 96143691 QZNHFSCJRQOMBH-UHFFFAOYSA-N 449.573 1.574 0 40 IDAB O=C(NC[C@@H]1CCCO1)[C@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 96243806 GAOMFXMGXQWKBP-ZWKOTPCHSA-N 431.537 1.520 0 40 IDAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 101348429 FCJKFGSBXLPUQK-LJQANCHMSA-N 427.482 1.929 0 40 IDAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc2c(c1)OCCO2 104789769 GAPBBOIZOZVFTG-MRXNPFEDSA-N 445.541 1.885 0 40 IDAB CC[C@H](C(=O)NCCN1CCOCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220688073 GWLPCISSJNEEHQ-OAHLLOKOSA-N 438.377 1.986 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222839409 DAXCASKTJGTXFF-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB CN(c1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1)S(C)(=O)=O 225675187 WWMQPPXKKGMQGX-UHFFFAOYSA-N 427.529 1.797 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)c1 225944178 SOKZAOLFLGMXCP-KRWDZBQOSA-N 443.522 1.661 0 40 IDAB CC(=O)NCCCC[C@H](N)C(=O)N(C)CC1(O)CCN(c2ccnc3cccnc23)CC1 257221988 DRKFOBGXQYCWAK-SFHVURJKSA-N 442.564 1.053 0 40 IDAB CCn1c(CCC(=O)N2CC[C@@](C)(O)[C@H](n3cc(C)c(O)nc3=O)C2)nc2ccccc21 257324850 WQLJOSVTUHDJQB-WZONZLPQSA-N 439.516 1.784 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O 575422158 MOTQHNFBMIJGIB-IRXDYDNUSA-N 425.528 1.352 0 40 IDAB COc1ccc(C(=O)N2CCCCC3(CCN(C)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cc1 643580884 XDUKACNWROPNGJ-LEWJYISDSA-N 448.560 1.688 0 40 IDAB COc1cc(C(=O)NC[C@@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)on1 1614940445 CLEXKTICGGCEIV-AWEZNQCLSA-N 425.445 1.218 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)c5sc(C)nc5C)C[C@@H]4C3)ncnc21 1888916649 BIVHXKQVWNLLJS-GJZGRUSLSA-N 427.534 1.754 0 40 IDAB Cc1cc(C)n2c(SCC(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)nnc2n1 3323032 YFZRSSPYPYRTKM-IBGZPJMESA-N 425.474 1.332 0 40 IDAB COc1cccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)c1 4111719 NDWUDPBTVDMKOW-LJQANCHMSA-N 429.498 1.334 0 40 IDAB CCC[C@H](C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1)c1ccccc1 9582545 KEQPIDQWDNPKFU-SFHVURJKSA-N 432.546 1.541 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3C3CC3)CC2)cc1C 9910101 HDMCKXQUYKXZJY-UHFFFAOYSA-N 436.563 1.250 0 40 IDAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1=O 9996184 FULOLEPVZGOIJP-UHFFFAOYSA-N 447.495 1.690 0 40 IDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 10300119 NGSDOEMVJLXJQU-UHFFFAOYSA-N 447.561 1.494 0 40 IDAB COCCNC(=O)CNC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O 12748490 NGIJAZYLTVJXKD-UHFFFAOYSA-N 428.514 1.702 0 40 IDAB CC(=O)OCc1c(O)c2c(c3c1OC(=O)c1c(C)cc(O)c(C=O)c1O3)[C@@H](O)OC2=O 14689459 IHMXDYQQUZKOON-FQEVSTJZSA-N 430.321 1.768 0 40 IDAB biogenic Cc1nn(C)c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 16237079 LRLMPJMEAVKULD-UHFFFAOYSA-N 434.518 1.848 0 40 IDAB COC(=O)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1 16807353 NAQQXSVRXUVKTA-INIZCTEOSA-N 427.457 1.654 0 40 IDAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCOCC3)cc2c1 19563413 GEDLICMZCLQONS-APWZRJJASA-N 426.477 1.124 0 40 IDAB O=S(=O)(c1ccccc1F)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23135095 MRBWXSQCQYHIIA-UHFFFAOYSA-N 438.435 1.586 0 40 IDAB O=c1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nc2sccn12 23717718 KYESONIQTMMGEV-UHFFFAOYSA-N 430.555 1.751 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)c2)CC1 36386308 VZIBQGWNCTZGOZ-HXUWFJFHSA-N 446.573 1.783 0 40 IDAB CCS(=O)(=O)N1CCN(C(=O)c2cc(C)nc3c2cnn3-c2ccccc2F)CC1 36616362 DLEGIUWIGQMJDQ-UHFFFAOYSA-N 431.493 1.976 0 40 IDAB CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(F)cc3Br)CC2)CC1 59385336 XPNBPWILOOGPCM-UHFFFAOYSA-N 435.363 1.198 0 40 IDAB CCOC(=O)N1CCC(NC(=O)Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)CC1 90610120 BHHNNFDYPLDMIA-UHFFFAOYSA-N 428.489 1.353 0 40 IDAB COc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c(C(=O)O)c1 95445377 SRDLBGJAXHYYKN-UHFFFAOYSA-N 426.472 1.635 0 40 IDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)NCc4cccc(OC)c4)CC3)[C@@H]1CN(C(C)=O)C2 96143768 SNJYTNUMTBZBJY-GBXCKJPGSA-N 442.560 1.992 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)CC(=O)c2ccco2)cc1C 97165163 UQTQLXYRUUOKNF-RDJZCZTQSA-N 449.529 1.587 0 40 IDAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)nc12 100724045 HVJHKAVTDOABKM-FVCZOJIISA-N 447.495 1.105 0 40 IDAB COC(=O)[C@H](CCSC)NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 100791947 GKSFLPWJEVTTLW-DAYGRLMNSA-N 447.557 1.907 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)C[C@@H](C)O1 109023763 DONFSMQVLUPKAD-OWCLPIDISA-N 428.530 1.124 0 40 IDAB COC(=O)CSc1nnc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)s1 222811570 BGVTXMBOHNGZBH-UHFFFAOYSA-N 442.544 1.986 0 40 IDAB C[C@H](C(=O)NCc1ccncc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222895495 NYCPRSOAIPHBCU-OAHLLOKOSA-N 436.509 1.146 0 40 IDAB O=c1[nH]c2ccccc2c(=O)n1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 225760989 YFGDDDKPKFXYIY-UHFFFAOYSA-N 443.481 1.487 0 40 IDAB CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](O)[C@@](O)(CN2CCN(c3ccccc3)CC2)[C@H](O)C1 257204366 AUFGTEUXVBYDCJ-CFXOPZKNSA-N 435.565 1.291 0 40 IDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 408588202 CXBLOROYQVXFJN-HNNXBMFYSA-N 448.497 1.900 0 40 IDAB CC(C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2117077 AMHDFTNCJFDZNE-FQEVSTJZSA-N 430.457 1.392 0 40 IDAB biogenic CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c12 2117496 HRNPKYUCURCTCA-NRFANRHFSA-N 432.473 1.774 0 40 IDAB biogenic Cc1nnc(SCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)n(N)c1=O 2652250 LFIMVVUXZXLGSL-OAHLLOKOSA-N 441.513 1.894 0 40 IDAB COC(=O)COc1cccc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)ccc12 2712363 VTUVTROKVLHUEQ-UHFFFAOYSA-N 435.480 1.902 0 40 IDAB CCOCCn1c(N2CCN(Cc3ccc(C)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 4316560 ZFACTNHUKKAHGA-UHFFFAOYSA-N 426.521 1.090 0 40 IDAB CCOC(=O)CNC(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2oc3ccccc3c21 9603245 YAHYQJRTECQABT-UHFFFAOYSA-N 435.436 1.886 0 40 IDAB O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)NCCc1ccccc1 11242888 NDKCACZBXUYLTI-UHFFFAOYSA-N 430.526 1.989 0 40 IDAB Cn1ncc2c(=O)n(CCC(=O)Nc3cc4c(cc3Br)OCCO4)cnc21 11413308 HZYMJOZXCLDVDX-UHFFFAOYSA-N 434.250 1.693 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1OC 11858113 ZXLMPCMSFRMPCW-UHFFFAOYSA-N 440.499 1.880 0 40 IDAB CN(CC(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCCC3)[C@@H]1CCS(=O)(=O)C1 12154135 FTBPCPHORBLBDC-RDTXWAMCSA-N 447.561 1.096 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)CC(=O)N3)cc1 12466011 OSSFHLRWPVLIHT-MRXNPFEDSA-N 426.458 1.969 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccc(Cl)cc1 18077699 BHXUCWXFUBANPW-HZPDHXFCSA-N 436.896 1.820 0 40 IDAB CCN(C(=O)[C@H](C)OC(=O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 18520083 VRFITMBRXMCQNK-WCQYABFASA-N 431.894 1.692 0 40 IDAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 19342806 KUCLDZMMXYEUBX-HZPDHXFCSA-N 428.514 1.872 0 40 IDAB COc1ccccc1CNC(=O)c1cc(C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)no1 19587183 GEFAEFIUEUOJKD-QGZVFWFLSA-N 440.500 1.798 0 40 IDAB COCCC(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19700722 OQMRWZMBYFIWIA-UHFFFAOYSA-N 442.560 1.848 0 40 IDAB CCOC(=O)N1CCN(C[C@H](O)COCCOc2ccc(Br)cc2)CC1 19938624 QQHLEUBUHJJBHE-INIZCTEOSA-N 431.327 1.980 0 40 IDAB C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)C[C@@H](C)O1 20029382 GIFXKCJCWIXRPQ-ZIAGYGMSSA-N 431.924 1.745 0 40 IDAB COc1ccc([C@H]2N=C3NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 20556186 UFEBVKXHLORHNB-QFIPXVFZSA-N 447.543 1.920 0 40 IDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1CCN(S(C)(=O)=O)CC1 23881422 LZSYKGAIQXTEBN-UHFFFAOYSA-N 448.471 1.233 0 40 IDAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2CN2CCN(c3ncccn3)CC2)C1 23883426 LSNSMACVATYTNP-QGZVFWFLSA-N 426.546 1.583 0 40 IDAB COc1ccccc1N1CCN(C(=O)[C@@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 25108024 KAPDODRYSLCGEU-MRXNPFEDSA-N 449.511 1.328 0 40 IDAB COc1cccc(/C=C2/SC(=O)N(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)c1 33585690 XUTAXMXYCRHFEI-LUYJPIOASA-N 438.527 1.767 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 38836450 CMSCICHIDCWMNR-MRXNPFEDSA-N 445.925 1.558 0 40 IDAB CCOCCn1c(N2CCN(Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952903 KTLQPLODLJVPOU-UHFFFAOYSA-N 426.521 1.090 0 40 IDAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCC)C2)c(OC)c1 89960384 WUAVQJLFSRONQN-AWEZNQCLSA-N 448.563 1.811 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)NCCn1nc(-c2cccs2)n(C2CC2)c1=O 96096624 OILPWRPQDLEMOO-UHFFFAOYSA-N 436.497 1.635 0 40 IDAB COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2coc3ccccc3c2=O)o1 96221098 PMZKCDHFZMRKCE-MRXNPFEDSA-N 441.436 1.979 0 40 IDAB biogenic COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2O1 222756860 JSAHMIRHVNEOOP-GOSISDBHSA-N 434.470 1.283 0 40 IDAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(CC(N)=O)cc1 222794851 DGSUAXXTOCQFFN-UHFFFAOYSA-N 447.513 1.061 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)c2ccccc2O1 222900207 NIJLCHAXBNJFMP-SFHVURJKSA-N 448.497 1.963 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C)c1ccccc1F 225050477 OJRNNSPFEFWWFI-UHFFFAOYSA-N 438.506 1.991 0 40 IDAB COc1ccc2c(c1)CN(C(=O)[C@H]1CCC(=O)NC(=O)N1)C[C@]1(CCCN(C)CC1)O2 248029002 NONDFEBESQEWGC-VGOFRKELSA-N 430.505 1.259 0 40 IDAB O=C(O)c1cccc(C(=O)N2CC3(CN(C(=O)Cc4ccccc4)C[C@@H]4C[C@@H](O)CN43)C2)c1 514290090 SQOBWLFKNRVDTJ-LEWJYISDSA-N 449.507 1.100 0 40 IDAB biogenic,in-vitro O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)C1CCCCC1 1839652 TXDFOUIIROWEGL-SFHVURJKSA-N 440.378 1.584 0 40 IDAB Cc1ccc2c(c1)[C@]1(N[C@@H](CCC(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 2134326 AHGOZVVUHWJLQW-QYUDBREXSA-N 425.485 1.913 0 40 IDAB biogenic CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C 3360390 NANJMNSIEQPQBU-LSDHHAIUSA-N 427.523 1.364 0 40 IDAB CSCC[C@@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O 3874397 PRQROPMIIGLWRP-FGTMMUONSA-N 437.562 1.197 0 40 IDAB in-vitro CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(NCCOC)s1)n2CC 8725009 NXKCSGGLIZKYHL-UHFFFAOYSA-N 439.567 1.908 0 40 IDAB COc1ccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 9096904 NEEZYHPPSPRVHS-UHFFFAOYSA-N 448.497 1.820 0 40 IDAB CCN(C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 9180536 MMUOWOXQUKAQBP-IBGZPJMESA-N 431.510 1.501 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@H]1C 9315394 DCHCJBVQAHMQPQ-URNNUDQISA-N 433.505 1.381 0 40 IDAB O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl)OC[C@@H]1CCCO1 9910514 PLODWYGCZPNXQR-SWLSCSKDSA-N 439.921 1.267 0 40 IDAB CC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)c2C(N)=O)C1 10252752 ZLKMXDRZYLZIPX-UHFFFAOYSA-N 435.527 1.336 0 40 IDAB CC(C)N(C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C 11505022 SGQRMWHRTQRVOF-JXMROGBWSA-N 438.546 1.909 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCO[C@H](c3ccccc3)C2)c1 12762264 FAJOGCSAFSWXDU-IBGZPJMESA-N 433.530 1.479 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 12923435 ZJSRDXXNIMDZOV-ZDUSSCGKSA-N 438.440 1.609 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)OCO2 13037832 RGMLBDWJBWLCJV-UHFFFAOYSA-N 432.454 1.891 0 40 IDAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 13097318 SVYSTOONSVSSQA-SFHVURJKSA-N 439.484 1.726 0 40 IDAB COc1ccc(N2C[C@@H](NC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1OC 16047668 GSMXMEBBOIEZFG-HNNXBMFYSA-N 442.472 1.570 0 40 IDAB Cn1nc(CCC(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)c2ccccc2c1=O 19288477 VXYFVNCIUDSDNK-UHFFFAOYSA-N 444.495 1.835 0 40 IDAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)CN4CCOCC4)C3)nc2C)cc1 19766237 BCHSXVSSWMOONZ-KRWDZBQOSA-N 439.516 1.694 0 40 IDAB O=C(Cn1nnc2ccccc2c1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21533505 GMTTZRHALHZKRP-UHFFFAOYSA-N 432.406 1.944 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 22246885 SJPPZCYETXOGDH-LJQANCHMSA-N 431.558 1.667 0 40 IDAB Cc1ccc(NC(=O)CN2CCN(C(=O)Cn3nc(O)c4ccccc4c3=O)CC2)cc1 23731079 FOHXQMHKUGLMGC-UHFFFAOYSA-N 435.484 1.193 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 23819206 YVAICCRQQYDXHR-QHCPKHFHSA-N 433.468 1.739 0 40 IDAB COc1cc(NC(=O)[C@@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc(OC)c1OC 36579851 YHPFXZBAQLXLDT-GFCCVEGCSA-N 440.456 1.635 0 40 IDAB O=C(NCC(=O)N1CCN(C(=O)N2CCCCC2)CC1)c1c[nH]c2ccccc2c1=O 40145225 VUFOWDOXUJGKLR-UHFFFAOYSA-N 425.489 1.008 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2cnc3c(nnn3Cc3cccc(F)c3)c2=O)c1 40478190 FLXOJINUFVNXGY-UHFFFAOYSA-N 438.419 1.831 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CSCN2C(=O)Nc2ccccc2)cc1 40556259 LZIBTWBVMWUVAX-KRWDZBQOSA-N 434.543 1.600 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2(C(=O)OC)CCC(C)CC2)c1 48287251 KXZXOFMRUCVDSC-UHFFFAOYSA-N 441.550 1.117 0 40 IDAB Cn1cccc1[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCOCC1 49512876 VGIQLUXANVHYQN-FQEVSTJZSA-N 439.516 1.280 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc(C3CCN(C[C@@H]4CC=CCC4)CC3)[nH]c(=O)c2C1 72399033 GLUMIEYRUIRYBH-MRXNPFEDSA-N 435.594 1.470 0 40 IDAB CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NC[C@@H]2Cc3ccccc3O2)C1=O 79067508 ZBFVDHPNMLNSTP-INIZCTEOSA-N 437.456 1.305 0 40 IDAB O=C(O)CCOCCOCCOCCOCCNC(=O)OCC1[C@@H]2CCC#CCC[C@@H]12 96299617 MOPSTLKSTPBGBX-RTBURBONSA-N 441.521 1.693 0 40 IDAB in-vitro CCOC(=O)/C=c1\s/c(=C/c2cccc(O)c2)c(=O)n1CC(=O)Nc1cccc(F)c1 96792883 SCEKBGCMGPYWBL-PJHLGZDSSA-N 442.468 1.566 0 40 IDAB CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1csc(I)c1 97379368 RAVAWLUJURWVGF-UWVGGRQHSA-N 428.317 1.943 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cc(F)ccc4F)[C@@H]3C2=O)cc1OC 101169980 SIDFERKYXAITDQ-ROUUACIJSA-N 445.382 1.914 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 222896624 WULTZEIIQQQPKJ-KRWDZBQOSA-N 447.557 1.667 0 40 IDAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224467828 PFAHGEYCSVXUAT-GOSISDBHSA-N 448.541 1.978 0 40 IDAB COc1ccc([C@H](CNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)N2CCOCC2)cc1 245263928 BOTCZPUZHUIGLK-NJYVYQBISA-N 441.528 1.526 0 40 IDAB O=C(Cn1nc(C2CC2)ccc1=O)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 575618512 BVBOPTDPURPQEA-UHFFFAOYSA-N 449.446 1.560 0 40 IDAB O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1569694787 YPXYXJNHOCVNTO-QILLFSRXSA-N 445.457 1.721 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@H]4C3)ncnc21 1888944428 QFNRMTQNTVQPTG-HUUCEWRRSA-N 446.508 1.369 0 40 IDAB COC(=O)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3298560 BWGZGBJAJMAKOZ-UHFFFAOYSA-N 434.470 1.512 0 40 IDAB Cc1nc2sccn2c(=O)c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 8931660 RUWMFMYNCUGQEP-UHFFFAOYSA-N 434.499 1.338 0 40 IDAB O=C(NCc1ccco1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1 9577961 ZMZPVYOMVYVQPY-INIZCTEOSA-N 441.893 1.103 0 40 IDAB CCN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9591171 CCNCPTBXKJEMQR-QGZVFWFLSA-N 434.452 1.302 0 40 IDAB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(OC)c4O)nc32)c(OC)c1 9739301 HLDGFUVUKVVWQU-UHFFFAOYSA-N 437.412 1.606 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H](c2cccc(O)c2)n2nnnc2N1 10232385 GOAWPCUOXXUHRH-GOSISDBHSA-N 437.412 1.721 0 40 IDAB Cc1cccc(OC[C@@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1 10386230 IBBBEHMRFNKUGI-KRWDZBQOSA-N 441.532 1.418 0 40 IDAB Cc1nc(SCC(=O)NCc2ccccc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525775 XUXCCNPITHCPPN-UHFFFAOYSA-N 427.530 1.863 0 40 IDAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCC(C(N)=O)CC1)CC1(CCOCC1)O2 12086917 XDTFDNWRPZQHNS-MRXNPFEDSA-N 429.517 1.491 0 40 IDAB CCOC(=O)CCCNC(=O)CSc1nnc(CN2CCCCCC2=O)n1CC 12125922 GGNWGETWZGGXQK-UHFFFAOYSA-N 425.555 1.752 0 40 IDAB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 13128700 QKGQBOGPXOVQDL-PWSUYJOCSA-N 425.488 1.591 0 40 IDAB COCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 13518810 FBECKCDZEBGCPS-INIZCTEOSA-N 431.514 1.993 0 40 IDAB O=C(CN1CSCC1=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 15596093 JQGSYLDSWXLFGK-UHFFFAOYSA-N 433.921 1.067 0 40 IDAB CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccc(OC)cc3)CN21 15708667 RHKKFTLRIDQKOJ-SCTDSRPQSA-N 447.605 1.572 0 40 IDAB biogenic,in-vitro Cc1csc2c([C@@H]3CCCN(C(=O)CCC(=O)N4CCC[C@@H]4C(N)=O)C3)nc(C)n12 19240396 OILLKQDLKPSJOZ-HZPDHXFCSA-N 431.562 1.975 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCCC[C@H]3C)CC1)CNC2=O 19496289 HMSDJXAAJZACEV-MWTRTKDXSA-N 429.517 1.970 0 40 IDAB COc1ccccc1CC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19569473 YWWBAKZJVCPXHC-QGZVFWFLSA-N 436.512 1.632 0 40 IDAB O=C(CN1CCCCCC1)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 19697760 NXCGXTTXXPQEJQ-UHFFFAOYSA-N 444.580 1.084 0 40 IDAB COCCC(=O)N1CCO[C@@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)C1 19759486 WYAFZJYFEPHGJI-OAQYLSRUSA-N 426.517 1.559 0 40 IDAB O=S1(=O)CC[C@@H](S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 19912221 DWBGNHXFMOZCJH-HXUWFJFHSA-N 434.583 1.911 0 40 IDAB Nc1nnc(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)s1 20100340 WTMQLBQVNGWIQQ-AWEZNQCLSA-N 435.556 1.918 0 40 IDAB O=C(CCn1cncn1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 25041750 SVNNEQMVYQIMLX-UHFFFAOYSA-N 434.341 1.025 0 40 IDAB COc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4ccccn4)c(=O)nc2-3)c(OC)c1 32615360 FNVJEXJJGXBIMZ-UHFFFAOYSA-N 447.451 1.609 0 40 IDAB CCOc1ccc(OC[C@H](O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)cc1 32751185 UZEHGMNLJJAIRN-KGLIPLIRSA-N 427.548 1.648 0 40 IDAB Cn1c(Cn2ccc(=N)cc2)c(C(=O)c2ccccc2Br)c(=O)n(C)c1=O 36357627 RXXJLDJWNKKEMY-UHFFFAOYSA-N 429.274 1.407 0 40 IDAB O=S(=O)(c1ccccc1)N1CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 40115544 PZNVRIHSXJAMHK-UHFFFAOYSA-N 439.559 1.571 0 40 IDAB Cn1c(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)nc2cc(Cl)ccc21 40154133 VQFRWNSIVMPOKI-UHFFFAOYSA-N 437.909 1.425 0 40 IDAB Cc1ccc(-c2csc3c(=O)[nH]c(N4CCC[C@@H](C(=O)NCC(N)=O)C4)nc23)cc1 49421309 PNFIKDBENRWQEI-CQSZACIVSA-N 425.514 1.778 0 40 IDAB CCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccccc3OC)CC2)c1=O 57478823 AMUBJNCOUOIJSC-UHFFFAOYSA-N 442.541 1.992 0 40 IDAB O=C(NCc1cccnc1)C1CCN(C(=O)c2nc(N3CCOCC3)ncc2Cl)CC1 58405685 ZNRMBQSSDNFORT-UHFFFAOYSA-N 444.923 1.530 0 40 IDAB CC[C@@H](C)c1c(O)nc(SCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)[nH]c1=O 60320602 QGOFAJNZBOKJRV-HZSPNIEDSA-N 430.530 1.889 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2nnn(-c3ccccc3)c2-c2ccccn2)cc1 77199864 WYVAVEXQGLVJEF-UHFFFAOYSA-N 448.508 1.949 0 40 IDAB Cn1cc([C@@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(Br)cc3)C2=O)cn1 89917047 KMAPLEYAZCAKCP-MRXNPFEDSA-N 441.307 1.424 0 40 IDAB Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)c1cc(-c2ccccc2Cl)[nH]n1 95981281 XXJSJHZQRVKDNE-UHFFFAOYSA-N 441.922 1.497 0 40 IDAB CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)CC1 96124151 YLWRZFNQEPCKKK-HNNXBMFYSA-N 428.497 1.011 0 40 IDAB CC(C)n1c(C(=O)NCCN2CCOCC2)nc2c1CCN(C(=O)c1cccnc1)C2 96147126 REFONOIEHROEBU-UHFFFAOYSA-N 426.521 1.120 0 40 IDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1nc(-c3ccccc3)no1)O2 219400083 VDFIWZFLWXYOMD-KRWDZBQOSA-N 428.470 1.888 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c(C)c1 224325248 LUJIUGRCTJUOTO-UHFFFAOYSA-N 431.562 1.749 0 40 IDAB C[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccccc1)S(C)(=O)=O 224716049 CLZCCZRCRDXLFI-SFHVURJKSA-N 431.558 1.990 0 40 IDAB Cc1nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c(O)c1CCC(=O)N1CCOCC1 257236614 HCZCOCUEZBGHIJ-SFHVURJKSA-N 427.505 1.608 0 40 IDAB CN1C[C@@H](C(=O)NCCc2ccccc2)OC2(CCN(C(=O)Cc3ccco3)CC2)C1 306135615 OVZNJIVXCQNFDZ-NRFANRHFSA-N 425.529 1.873 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C)cc3)C2)cc1 408650853 CDROLYIIWWGCMP-MRXNPFEDSA-N 425.441 1.679 0 40 IDAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc1 408653046 HIFWIMBWIDPJQF-MRXNPFEDSA-N 425.441 1.761 0 40 IDAB Cc1ccc2c(c1)[C@]1(N[C@@H](CCC(=O)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 8790436 BMRYPTQIJUYKGS-BINBFKAUSA-N 447.491 1.823 0 40 IDAB biogenic CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 9037349 WUOVTUMGBYFIEP-AWEZNQCLSA-N 431.470 1.705 0 40 IDAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9619307 SAVAVYUUSCIMOP-FQEVSTJZSA-N 432.546 1.822 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3C3CC3)CC2)c(C)c1 9741145 VAGPNUQMLJXCBF-UHFFFAOYSA-N 436.563 1.250 0 40 IDAB CC[C@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 10385983 UKPQUWANMCBFBY-JSGCOSHPSA-N 435.912 1.737 0 40 IDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 12380070 WZRCDLPEIZROLC-RQXXJAGISA-N 443.408 1.163 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c2ccc(F)cc2N1 12766105 CHTLMYMZICZVGH-OAHLLOKOSA-N 435.452 1.924 0 40 IDAB COc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 12825629 GQZZIBPHVXIJCC-UHFFFAOYSA-N 447.513 1.475 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 12972997 HGBQMYPTDYXINH-DYESRHJHSA-N 433.530 1.108 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC[C@@H]1CCCO1 13556844 KOBULAIZZHXQEQ-UVFQYZLESA-N 431.489 1.204 0 40 IDAB CCCCc1c(O)nc(SCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)[nH]c1=O 15958244 OSMULSLUVUBSGB-UONOGXRCSA-N 430.530 1.718 0 40 IDAB Cc1nnc2n1C[C@@H](c1cccc(C(=O)NCCS(=O)(=O)N3CCCCC3)c1)CC2 19698202 MMXBHPVOMDQSOJ-IBGZPJMESA-N 431.562 1.862 0 40 IDAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 22511119 JWFRBKDMIKDIES-UHFFFAOYSA-N 440.525 1.964 0 40 IDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1sccc1S(=O)(=O)N1CCCC1 25805447 UTMAYLMUCZKGHX-UHFFFAOYSA-N 434.495 1.986 0 40 IDAB COc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1OC 29520116 SXCXWVIEOBYIFV-UHFFFAOYSA-N 434.514 1.934 0 40 IDAB CONS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1 40106842 GYQDDYMBFLJWID-GASCZTMLSA-N 434.518 1.465 0 40 IDAB CCOc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1S(N)(=O)=O 40118647 YQVBXDLNCYZHDV-UHFFFAOYSA-N 427.504 1.665 0 40 IDAB CCCCN(C)C(=O)Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O 67225600 ACVPYGZAKSTMJP-UHFFFAOYSA-N 446.577 1.607 0 40 IDAB CCCn1cc(C(=O)N2CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 67337800 LCRTVPDPPVFUSM-UHFFFAOYSA-N 437.953 1.913 0 40 IDAB CCOC(=O)[C@@H]1CCCN(c2ncc3c(=O)n(Cc4ccccc4F)c(=O)[nH]c3n2)C1 90591755 QEOKIUITGBVVQS-CQSZACIVSA-N 427.436 1.447 0 40 IDAB COc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(C)c2)C3=O)cc1 98213133 ZHPMLBOJIKZFJB-UHFFFAOYSA-N 435.484 1.334 0 40 IDAB COC(=O)C1=C(C)NC(=O)[C@@]1(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 100151713 JIOCDSRYXPKRKA-QGZVFWFLSA-N 432.351 1.320 0 40 IDAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCCN2CCOCC2)S1(=O)=O 219195816 HHZUALCZNREXMV-UHFFFAOYSA-N 439.534 1.053 0 40 IDAB CN(c1cccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1)S(C)(=O)=O 224273984 HDOHWGUMVPWERG-UHFFFAOYSA-N 447.564 1.719 0 40 IDAB Cn1ccc(C(=O)N2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@@H]3C2)n1 306133713 MTLZEXAFEGBPJF-QZTJIDSGSA-N 439.497 1.292 0 40 IDAB CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)s1 390830504 LMEPBMQTVVQTOM-QGZVFWFLSA-N 442.584 1.935 0 40 IDAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1 408595184 VVZBOBLRNAQKCL-OQLLNIDSSA-N 425.397 1.690 0 40 IDAB COc1cc2ncn(CC(=O)Nc3ccc(OCCN(C)C)cc3)c(=O)c2cc1OC 524734368 XMFRYQDYHLIXHC-UHFFFAOYSA-N 426.473 1.993 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 585288128 XDAVBFDHYZAECG-RXVVDRJESA-N 444.475 1.125 0 40 IDAB Cc1cc(F)cc(CN2[C@@H]3CN(C(=O)Nc4cccnc4)C[C@@H]3OCCS2(=O)=O)c1 1534645961 ZRPAGZZBQCTJCT-MOPGFXCFSA-N 434.493 1.976 0 40 IDAB COc1cccc(-c2ccc3c(c2)NC(=O)CN2CCN(S(C)(=O)=O)C[C@@H]2CO3)c1 1772594712 NRJMXPQJJOMKQJ-QGZVFWFLSA-N 431.514 1.639 0 40 IDAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1 1888913570 KBLHQZIAINPSRJ-UHFFFAOYSA-N 432.484 1.481 0 40 IDAB Nc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1 2650356 UMFIMMHTQJOSGB-UHFFFAOYSA-N 433.968 1.399 0 40 IDAB COC(=O)C1CCN(C(=O)COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)CC1 4164430 JBWXQKZOYGBRID-HNNXBMFYSA-N 425.869 1.394 0 40 IDAB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2[C@@H]2CCS(=O)(=O)C2)cc1 9126725 PBVUHZOYYQTYQH-CQSZACIVSA-N 427.486 1.021 0 40 IDAB COc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C[C@@H]5CCCO5)C(=O)[C@@H]24)O3)cc(OC)c1OC 9409822 LQAIALVFPHCXFW-RUPYMSSLSA-N 444.484 1.612 0 40 IDAB CCCCN(C(=O)c1nn(C)c(=O)c2ccccc12)c1c(N)n(CCC)c(=O)[nH]c1=O 9509411 WJDXWYZYDOSECK-UHFFFAOYSA-N 426.477 1.223 0 40 IDAB C[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9799550 UFBKLWFPYAHLCL-HNNXBMFYSA-N 442.501 1.853 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(F)cc3F)C2=O)cc1 10871021 NVRAVQNTZULGCV-HXUWFJFHSA-N 433.367 1.629 0 40 IDAB Cc1cc(C)n2nc(SCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nc2n1 11020047 RKBZXYNBXWEBAH-LSDHHAIUSA-N 439.563 1.028 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031472 QBGPQHZXJITYPU-CYBMUJFWSA-N 441.458 1.768 0 40 IDAB CC(C)NC(=O)Cn1nc2n(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c3ccccc3n2c1=O 12117720 HMHZIMYBDKVUJZ-HOTGVXAUSA-N 426.521 1.765 0 40 IDAB COc1cccc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(C)=O)c1O 12438201 UWCGRTIBAKTOBG-CPULEKHMSA-N 436.489 1.989 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 12738453 OVPQVBJXCRDQIR-QZTJIDSGSA-N 429.608 1.914 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 12933789 MJLKPHANPHQCNA-QAPCUYQASA-N 428.532 1.313 0 40 IDAB CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)N1CCCC1 13608457 ZZHUZWONWZQFMK-IBGZPJMESA-N 439.553 1.990 0 40 IDAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccncc1 14907769 WXFQSHBFOAHGMY-UHFFFAOYSA-N 432.502 1.191 0 40 IDAB CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)NC1CC1 15019798 BPCHHVGBNZDJNX-UHFFFAOYSA-N 427.527 1.774 0 40 IDAB CC(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19451078 AZMNIRVMXVSWNK-SFHVURJKSA-N 445.545 1.629 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3cccc(OC)c3)C1)C2=O 19699566 RTESRBHVIZCBCI-QGZVFWFLSA-N 442.516 1.623 0 40 IDAB Cn1cc2c(n1)[C@H](C(=O)NCc1ccccn1)CN(C(=O)c1cc3c([nH]c1=O)CCCC3)C2 19701416 QGCHTYDHZWDYFQ-LJQANCHMSA-N 446.511 1.438 0 40 IDAB CCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930364 PIOKRDOJIXTQDZ-UHFFFAOYSA-N 433.958 1.198 0 40 IDAB O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008274 RACUUZLSTAAMND-OAQYLSRUSA-N 449.548 1.554 0 40 IDAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccsc2)CC1 22766214 CUUMNMBYCNAAQF-KRWDZBQOSA-N 430.530 1.563 0 40 IDAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1cccc(NC(=O)c2ccncc2)c1 32447954 FGNXYJYUBZPTEO-UHFFFAOYSA-N 444.245 1.585 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)c(=O)[nH]c1=O 32988966 YPLADBPCOZXPJU-UHFFFAOYSA-N 426.477 1.373 0 40 IDAB CC(=O)N1c2ccc(S(=O)(=O)NCCOc3cc(N4CCCC4)ncn3)cc2C[C@@H]1C 36708034 GNGILPPNXJOMAS-HNNXBMFYSA-N 445.545 1.732 0 40 IDAB C[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 48302496 KULHQTZOBFRAEZ-OCCSQVGLSA-N 437.616 1.987 0 40 IDAB Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)n1 49025923 WEQCZWRXSVUXAG-UHFFFAOYSA-N 434.504 1.165 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)n(C)c1 58156363 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GULQCXYSOAKMTN-OAHLLOKOSA-N 427.480 1.957 0 40 IDAB COc1ccccc1CN1CC[C@@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 306130942 JSZGQWHECQQSGO-JOCHJYFZSA-N 439.541 1.774 0 40 IDAB Cn1ccc(C(=O)N2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@H]3C2)n1 306133714 MTLZEXAFEGBPJF-ROUUACIJSA-N 439.497 1.292 0 40 IDAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCC(=O)O 409199121 BMZXCCKISCOMIX-OVCLIPMQSA-N 443.387 1.829 0 40 IDAB CC(C)n1nc(CC(=O)Nc2ccc(C(=O)N3CCNC(=O)C3)cc2)c2ccccc2c1=O 1565525063 ZIWGPHRANNOSDX-UHFFFAOYSA-N 447.495 1.731 0 40 IDAB CC(=O)[C@@H](Sc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1)C(=O)N(C)C 9517891 DOBNIOSHOVIGDV-IUODEOHRSA-N 447.542 1.668 0 40 IDAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc21 9519610 LPYBLNYDMNBRHZ-IRXDYDNUSA-N 449.573 1.919 0 40 IDAB Cc1nc(Cc2nnc(SCCCn3c(=O)c4c(ncn4C)n(C)c3=O)o2)cs1 9669564 VJAIFFKJKAHHBX-UHFFFAOYSA-N 433.519 1.355 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)Cc3ccccc3)CC1)C2=O 12799181 UHXFHIHJMFCEFW-UHFFFAOYSA-N 434.562 1.592 0 40 IDAB CCN1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 12997779 HVGXDBVRHSPWHM-IBGZPJMESA-N 448.633 1.424 0 40 IDAB C[C@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 13009808 VPEOLPAJLOQGEF-LLVKDONJSA-N 435.333 1.240 0 40 IDAB O=C([C@@H]1CCCN1C(=O)c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1 13096701 SVXRKILLBQNBDE-KRWDZBQOSA-N 433.555 1.886 0 40 IDAB COc1ccc(OC)c(N(CC(=O)NCCCN(C)C)S(=O)(=O)c2ccccc2)c1 13646118 NPHDAEQBAUBXBF-UHFFFAOYSA-N 435.546 1.967 0 40 IDAB CCN(C(=O)[C@@H](C)OC(=O)c1c(NC(C)=O)sc(C)c1C)[C@@H]1CCS(=O)(=O)C1 14249419 YWYKHVPDFJCYSA-BXUZGUMPSA-N 430.548 1.904 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)on3)CC2)c(-c2cccnc2)n1 19290306 FRFATLFNPACAQI-UHFFFAOYSA-N 442.501 1.494 0 40 IDAB C[C@@H](NC(=O)c1cccc2cccnc12)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1 19575434 DYVGAOJIJMOEOR-GDBMZVCRSA-N 431.514 1.205 0 40 IDAB CCN(CC)S(=O)(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2nccs2)CC1 19756485 FWWSSSWRCDNOGP-UHFFFAOYSA-N 440.595 1.970 0 40 IDAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 19909008 SOEMDSGGDQGFCC-HXUWFJFHSA-N 447.557 1.700 0 40 IDAB CC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 21511064 CPLWLXJNXMKEEE-UHFFFAOYSA-N 425.507 1.100 0 40 IDAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCO)cc1Cl 22269343 SEXPUKNSLJLZAQ-QGZVFWFLSA-N 426.922 1.737 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cc(C)on1 23296017 PQWHOYHTJPXOTF-UHFFFAOYSA-N 425.463 1.420 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 24928722 SODLDTBFUZSGKN-HUUCEWRRSA-N 431.352 1.849 0 40 IDAB CS(=O)(=O)Nc1ccc(CCNCCOc2ccc(NS(C)(=O)=O)cc2)cc1 26249181 JITIJIUDNAYXKK-UHFFFAOYSA-N 427.548 1.641 0 40 IDAB in-vitro COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)c(OC)cc1Cl 32768470 ISLTVQBBFBQZDT-UHFFFAOYSA-N 429.882 1.959 0 40 IDAB Cc1ccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1 34888562 QRHXDEFKUYTWBL-UHFFFAOYSA-N 430.530 1.958 0 40 IDAB O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 40153205 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IDAB Cn1nnnc1-c1cccc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 12539735 CKQSXLVZGIBBOJ-SFHVURJKSA-N 426.502 1.509 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CSC3=NCCS3)CC2)c1 12823642 XNTSGOHJZNATOC-UHFFFAOYSA-N 445.588 1.373 0 40 IDAB C[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 12911346 NCOBCQVAZGCONL-YJBOKZPZSA-N 449.529 1.577 0 40 IDAB COc1ccc(CCN2C(=O)C[C@H](N3CCN(c4ccccc4O)CC3)C2=O)cc1OC 13096821 VZWMUQXNWLYXMU-IBGZPJMESA-N 439.512 1.902 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C2=COCCO2)c1 15316290 NELMHCWVOGAFMY-UHFFFAOYSA-N 425.507 1.380 0 40 IDAB O=C(C[C@H]1CCCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339531 YOLNVQXMWBOMAB-RBUKOAKNSA-N 437.544 1.998 0 40 IDAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 19594436 CZWYSKQUGLIDLE-LPECDLRISA-N 441.553 1.412 0 40 IDAB Cc1nnsc1C(=O)N1CCO[C@@H](c2c(C(=O)N(C)CCO)sc3ncccc23)C1 19702849 JGWDBAGBBRFZHS-CYBMUJFWSA-N 447.542 1.734 0 40 IDAB CC(=O)NCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)C1 19738804 ADDWBGBINROOFG-KRWDZBQOSA-N 439.491 1.856 0 40 IDAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)ccc21 19936858 DAXVSFXSEIHOPA-UHFFFAOYSA-N 434.426 1.988 0 40 IDAB CCOC(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1 20354935 ZOYJAAZKZAKDIF-UHFFFAOYSA-N 440.504 1.054 0 40 IDAB CCN1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)CC1 22768380 JMNAYTFGZWNVNO-MRXNPFEDSA-N 442.520 1.922 0 40 IDAB CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1Cl 23115211 RAQMPEOYWSSOJP-ZDUSSCGKSA-N 435.912 1.373 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cnc(C)cn3)CC2)c(C)c1 23819235 ZRUAEXLHVMLGEZ-UHFFFAOYSA-N 432.502 1.092 0 40 IDAB CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)c1C 25935631 VQGNBQWPAQMQOV-UHFFFAOYSA-N 425.493 1.490 0 40 IDAB COCCNC(=O)C1CCN(c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1 32829451 JARBLSSQTSTZHK-UHFFFAOYSA-N 426.517 1.686 0 40 IDAB O=C(c1cc(Br)ccc1F)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 32837029 BTCZTHQASPCXQM-NSHDSACASA-N 433.299 1.307 0 40 IDAB NC(=O)NC(=O)COC(=O)c1cc(Br)ccc1I 58107063 IIKPVMNUYLJQAC-UHFFFAOYSA-N 426.992 1.405 0 40 IDAB COc1cccc(-c2nc(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cs2)c1 61722044 VWFAJEHYCVPIKF-QGZVFWFLSA-N 435.571 1.693 0 40 IDAB CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)(C)c2ccccc2)CC1 72260169 VYTRBOWTYYKKRH-UHFFFAOYSA-N 438.532 1.460 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCSCC3)CC1)NC2=O 72327478 UEDDKCGMRVLZGW-SZNDQCEHSA-N 433.530 1.490 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)CC1 77099929 NBRKJJFIRBXDGP-UHFFFAOYSA-N 443.573 1.653 0 40 IDAB NC1=C2C(=O)Oc3cc(O)ccc3[C@@H]2[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]2S1 79476757 LBTMGQXXYSQZIH-FMKPAKJESA-N 438.417 1.568 0 40 IDAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 95455691 SZPJVLSGSKZTAO-HSBSLETESA-N 436.490 1.924 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(c3ccc(-n4cncn4)nn3)C1)CC2 96124130 VPOPIJVQGOBNJM-QGZVFWFLSA-N 449.515 1.876 0 40 IDAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223661950 IJPWHRUUSXYNHP-MRXNPFEDSA-N 443.525 1.693 0 40 IDAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)cc1 224282273 BSHJKCPQAZJRLT-UHFFFAOYSA-N 431.514 1.858 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2nc(C)n[nH]2)cc1Cl 226047324 CSGYOYRYBMUSHK-UHFFFAOYSA-N 433.943 1.304 0 40 IDAB CN(C)C1(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCCC1 503815759 OMURTXNVWFVPKD-UHFFFAOYSA-N 438.594 1.771 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)N3CCCCC3)n2Cc2ccc(F)cc2)n(C)c1=O 930535 QOPBFVZNDKZFIB-UHFFFAOYSA-N 445.520 1.726 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 1345839 JAZRXBVJTABPOZ-IBGZPJMESA-N 445.541 1.806 0 40 IDAB Cc1ccc2c(c1)[C@@]1(N[C@@H](CCC(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 2134324 AHGOZVVUHWJLQW-FAODYONGSA-N 425.485 1.913 0 40 IDAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccn(CC)n3)c(=O)n2[C@@H]1c1ccc(O)cc1 2787271 QSOOFDGYWQWEQO-XYSGSMRZSA-N 438.509 1.720 0 40 IDAB Cc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3)CC2)C(C)C)cc1 4082640 YAQNNOLWSOWJMO-SFTDATJTSA-N 428.577 1.743 0 40 IDAB biogenic CN1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1 9629992 AUVOGOLFBDGLPD-UHFFFAOYSA-N 425.507 1.777 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1 11835011 KSRJVCRCGJKJDY-UHFFFAOYSA-N 448.526 1.927 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 15365070 CYBRJIOHMODJOW-UHFFFAOYSA-N 445.519 1.004 0 40 IDAB O=C(OCC(=O)N1CCNC1=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 17165447 UNCUIBGHFAFBKN-UHFFFAOYSA-N 438.278 1.396 0 40 IDAB CS(=O)(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)CCCn3cncn3)C2)C1 19573122 FCDGWGFWXSCAHZ-HXUWFJFHSA-N 433.534 1.274 0 40 IDAB COc1ccccc1N1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 20049997 PJHZNHYCWFZSNC-HXUWFJFHSA-N 431.514 1.571 0 40 IDAB O=C(c1ccc(CS(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1 20105489 NHFWEUNHIHMQQF-UHFFFAOYSA-N 443.569 1.807 0 40 IDAB c1cncc([C@@H]2N=C3NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)c1 20638640 RDMRMWLBHTXNHI-OAQYLSRUSA-N 432.532 1.697 0 40 IDAB Cn1c(SCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)nnc1-c1cccnc1 23632847 QLEDCZDLXGRYMS-IBGZPJMESA-N 438.557 1.986 0 40 IDAB CCNc1nc(NCC)n2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2n1 25581455 UTHPDZNZPNLGPJ-UHFFFAOYSA-N 430.494 1.885 0 40 IDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 29363210 LXEFWTFHHFNTAP-NQIIRXRSSA-N 442.560 1.963 0 40 IDAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccnc2)c1 32702318 CMUPOWJRQIFRAO-UHFFFAOYSA-N 440.547 1.466 0 40 IDAB O=C(CSc1nccc(=O)[nH]1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 32941908 POXODSINMXWQSJ-UHFFFAOYSA-N 444.922 1.175 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@H]([C@@H](C)O)N[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 35363840 JBPHKLSPHJFFQO-SOGHBPRDSA-N 449.507 1.613 0 40 IDAB biogenic Cn1c(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2ccccc21 44213657 LJGKTPZTDNMDBD-UHFFFAOYSA-N 428.514 1.851 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2snc3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)CC1 49409920 DBIHOFRECQDIBL-UHFFFAOYSA-N 442.497 1.610 0 40 IDAB COC(CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)OC 56945776 OHCBPTJMZQRMIP-GOSISDBHSA-N 448.495 1.133 0 40 IDAB CCc1nc2ccccc2c2nn(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)n12 57731018 VGKWUWKWYQOVRK-UHFFFAOYSA-N 435.484 1.983 0 40 IDAB Cc1cccc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1C(=O)N1CCCC1 58129434 AMHJISQJCSMRSW-JKSUJKDBSA-N 433.530 1.205 0 40 IDAB Cc1cc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)ccc1-n1cnnn1 58174709 RTPOFJJPVRQMSV-UHFFFAOYSA-N 449.515 1.562 0 40 IDAB COCCN1CC2(CCN(C(=O)c3ccnnc3)CC2)COc2ccccc2S1(=O)=O 63528450 CQHMYBNLFQRDAK-UHFFFAOYSA-N 446.529 1.429 0 40 IDAB CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 67286777 XRVQRFKETQAWTG-NRFANRHFSA-N 446.548 1.903 0 40 IDAB CC(=O)Cn1c(Br)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C 69701131 BHEDGTXWHVFUBD-UHFFFAOYSA-N 425.670 1.950 0 40 IDAB C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)CN1CCOCC1 72306613 UEMJKBZVKVZLFW-AUUYWEPGSA-N 440.338 1.001 0 40 IDAB C[C@H](C(=O)N1CCC[C@H](CO)C1)N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326606 RJYHKSUIFCCMBY-GTQRCTGISA-N 448.951 1.824 0 40 IDAB CCNC(=O)CN(CC)S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl 89977404 KXXHGXHAXBTPGS-UHFFFAOYSA-N 440.703 1.684 0 40 IDAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 102667413 NJPNUCMJQFVLFA-RTBURBONSA-N 445.541 1.297 0 40 IDAB CC1(C)C[C@@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)NC(N)=O)c2)C1 102714460 ADLZPJGOTABRIL-VLIAUNLRSA-N 437.518 1.628 0 40 IDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 108977648 UWRSMHYKYWQDQM-AZUAARDMSA-N 438.553 1.991 0 40 IDAB Cc1nccn1CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257208027 BKIKQMPUTVSHLM-CQOQZXRMSA-N 426.561 1.881 0 40 IDAB Cc1cccc(CN2CC[C@@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)n1 306138292 RUEVJGBWWLKISK-HSZRJFAPSA-N 425.533 1.864 0 40 IDAB O=C(NCCCN1CCOCC1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408710316 WXOPFPMVJHZNQW-UHFFFAOYSA-N 438.528 1.436 0 40 IDAB CCn1nc(C)c(S(=O)(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)c1C 2087043990 JBCBRWZYFDHHEI-CALCHBBNSA-N 430.578 1.864 0 40 IDAB CCc1cccc(OC[C@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 7425638 MJJPTUMWWWXGOI-MRXNPFEDSA-N 429.521 1.884 0 40 IDAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)[C@H](C)O)CC1 8918351 NXADUFFZUKDORH-SDADXPQNSA-N 443.541 1.115 0 40 IDAB biogenic COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)c(OC)c1 9001598 GOHPSARWXDSMRW-UHFFFAOYSA-N 447.451 1.657 0 40 IDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 9223906 XMNKHBYAURRLHR-MRXNPFEDSA-N 447.513 1.606 0 40 IDAB COc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccc1OCC(=O)N1CCOCC1 9245285 TXMCJKUCOLZWOM-UHFFFAOYSA-N 440.500 1.290 0 40 IDAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccccn1 9303647 KYGJJJBPGMFWJI-INIZCTEOSA-N 448.520 1.444 0 40 IDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N1CCN(C(=O)c2cccs2)CC1 9513433 ZHAPACUHWPQNML-UHFFFAOYSA-N 440.481 1.024 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)cc2OC)n(C)c1=O 9519210 IOWFSJUCVHEJNW-UHFFFAOYSA-N 443.460 1.019 0 40 IDAB O=C(COC(=O)c1ccc(F)cc1F)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9665253 CBQALYQBAZQSCU-UHFFFAOYSA-N 440.424 1.781 0 40 IDAB C[C@@H]1C[C@@H](Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C(=O)O1 9871027 KMBMWDXHEFUZNW-BXUZGUMPSA-N 425.488 1.554 0 40 IDAB CN(C)C(=O)COC(=O)c1ccc(Oc2ccc(C(=O)OCC(=O)N(C)C)cc2)cc1 9985979 WOACLKZZXOFDJQ-UHFFFAOYSA-N 428.441 1.969 0 40 IDAB COC(=O)c1c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2c1CCN(C(C)=O)C2 13790348 LNUVFMPXKBTELQ-GFCCVEGCSA-N 443.547 1.049 0 40 IDAB Cc1ccccc1C(=O)NCCC(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 14246503 IACBNXMJKKVHMU-OAQYLSRUSA-N 437.496 1.768 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)c3ccco3)n2Cc2ccccc2F)n(C)c1=O 15935362 JVABWMDWYLFXSQ-UHFFFAOYSA-N 440.435 1.056 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccs3)CC2)cc1 16681214 QXLZSYBWIJMZMS-UHFFFAOYSA-N 437.543 1.410 0 40 IDAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1 19563431 VWQCCWVTXJTDLG-NRFANRHFSA-N 432.484 1.993 0 40 IDAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1 20059886 WORCQUCGSZZHTE-UHFFFAOYSA-N 438.532 1.333 0 40 IDAB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN([C@@H]1C=CS(=O)(=O)C1)CO3 20623540 BSCVZZKRIHIGNY-LLVKDONJSA-N 439.873 1.933 0 40 IDAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2nnc(Cc3ccccc3)s2)n(C)c1=O 21335933 RIYSTNWJGBKJPD-UHFFFAOYSA-N 439.501 1.295 0 40 IDAB COc1ccccc1N1CCN(c2nnc(SCC(=O)N3CCOCC3)s2)CC1 23139901 CJCQWDMCGKCEQW-UHFFFAOYSA-N 435.575 1.824 0 40 IDAB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1[C@H]1CCS(=O)(=O)C1 23221571 IKTZQMPGPHZBOQ-AWEZNQCLSA-N 436.511 1.492 0 40 IDAB O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCC(=O)N1CCNC1=O 24963782 SQTCOOIRAUCHNS-UHFFFAOYSA-N 437.518 1.279 0 40 IDAB CCc1cccc(CC)c1NC(=O)Cn1c(=O)ncc2c1cnn2[C@@H]1CCS(=O)(=O)C1 32616620 USDANYPEPZFLBC-MRXNPFEDSA-N 443.529 1.716 0 40 IDAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccccc1N1CCCC1=O 32858447 GUDHWKRKSMVXTH-UHFFFAOYSA-N 426.454 1.804 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1C(=O)NCCc1ccccc1 33330799 HTFIANVDESWYAA-UHFFFAOYSA-N 428.470 1.145 0 40 IDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 40040148 MPWBSQYKPKEKNB-QWHCGFSZSA-N 445.925 1.518 0 40 IDAB CN(C)CCN(c1cccc(Br)c1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 40158386 OOCCQWZNVJDSHK-UHFFFAOYSA-N 429.340 1.643 0 40 IDAB C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 40389081 CAZRPQLNBNMHIP-YPMHNXCESA-N 425.445 1.942 0 40 IDAB O=C1CN(c2ccc(NC(=O)c3cnn(-c4ccc(O)nn4)c3C(F)(F)F)cc2)CCN1 48250670 FMHBYBNHCOOFDP-UHFFFAOYSA-N 447.377 1.575 0 40 IDAB Cc1c(Cl)cccc1NC(=O)Cn1c(=O)n(CC(N)=O)c(=O)c2oc3ccccc3c21 49402436 WMUXROABHKGJOY-UHFFFAOYSA-N 440.843 1.995 0 40 IDAB O=C(CCNC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)NC1CCCC1 72273022 QWTUCCBTBFXOAJ-UHFFFAOYSA-N 426.521 1.199 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)cc1 72326309 RVYQWIFSOFJXQO-NPMXOYFQSA-N 437.500 1.659 0 40 IDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(S(=O)(=O)N(C)C)CC2)n1 72376675 FYNCZADMEMMLMQ-UHFFFAOYSA-N 432.550 1.294 0 40 IDAB COc1cccc2c1OC[C@H](C(=O)N1CCC(c3nnsc3S(C)(=O)=O)CC1)C2 72392509 DTIHJEZCGHZCKP-CQSZACIVSA-N 437.543 1.908 0 40 IDAB CNC(=O)Cc1nc(COC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cs1 78999911 NJIWDRWMFVIKLE-UHFFFAOYSA-N 441.531 1.484 0 40 IDAB CC(=O)N1CCC(O)(CN2CCC3(CC2)CO[C@@H]([C@@]2(C)CC[C@H](O)C(C)(C)O2)C3)CC1 1848353370 KDWPJCLXIDEVSG-TUNNFDKTSA-N 438.609 1.940 0 40 IDAB CCC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1363449 XOBUFTNJBQBDLD-HNNXBMFYSA-N 445.607 1.642 0 40 IDAB CC(C)CN(C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2)[C@@H]1CCS(=O)(=O)C1 4195273 JNJYCOLZGWHBNO-CQSZACIVSA-N 440.543 1.559 0 40 IDAB COc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1S(=O)(=O)N1CCOCC1 8826190 FRQMDGKPFSQERD-UHFFFAOYSA-N 448.469 1.795 0 40 IDAB O=C(Cn1nnc(COc2ccccc2)n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9253151 HHZQIBNDUYVRDP-UHFFFAOYSA-N 442.501 1.675 0 40 IDAB CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C 10368781 XIIWNYYALCAOLS-UHFFFAOYSA-N 448.886 1.970 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)C1 12085709 ZWQKHVXZCWVNRM-MWTRTKDXSA-N 443.500 1.319 0 40 IDAB O=C(c1ccco1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 12982506 WVLRJDPYVKYITF-UHFFFAOYSA-N 449.504 1.804 0 40 IDAB CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)ccc12 15956441 CPNFUBQRBUHUJD-HXUWFJFHSA-N 432.473 1.774 0 40 IDAB biogenic CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ncc3c(N4CCCC4)ncnc32)cc1 16913731 GPHDIPIVKBEZNU-UHFFFAOYSA-N 443.533 1.107 0 40 IDAB COc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1OC 20038149 BFDYZMNIGDCIFG-UHFFFAOYSA-N 444.513 1.972 0 40 IDAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(S(=O)(=O)c2cccs2)CC1 20730101 VPDCJIJZPPHAAF-AWEZNQCLSA-N 437.518 1.773 0 40 IDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)cc1 25216798 BXXFRNCANGLGLB-UHFFFAOYSA-N 449.529 1.885 0 40 IDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccsc4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143732 ZNFSHWNAFMGZBY-HNAYVOBHSA-N 425.576 1.388 0 40 IDAB COCCN1[C@H]2CCN(C(=O)c3ccncc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145781 LVEGPBWQZOISSJ-ROUUACIJSA-N 431.514 1.785 0 40 IDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NC[C@@H](O)c2ccccc2)c2cc(Br)ccc21 101457845 MRBHLMSNSDQHIY-SJORKVTESA-N 446.301 1.823 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222376805 WYGTZSFGFHOCNG-HNNXBMFYSA-N 429.498 1.303 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 222413556 HLOSKILISKXJLP-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB O=C1CCCC(=O)N1CCS(=O)(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225736323 AEQCPGSPYJAQQV-CYBMUJFWSA-N 435.424 1.422 0 40 IDAB CN1CCN(C(=O)C[C@H]2CN(C(=O)c3ccn(C)n3)CC[C@@H]2Oc2ccccc2)CC1 257221212 DNZOYAJCHFSEFQ-RXVVDRJESA-N 425.533 1.494 0 40 IDAB Cn1nc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)cc1CCOc1cccc(F)c1 257289009 PWPVJTFHACVWHI-HXUWFJFHSA-N 438.525 1.895 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)c(Cl)c1 408593689 NUIFYSAGVQBHMW-UHFFFAOYSA-N 433.958 1.244 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(OC)c1 408658421 KVOJIMOASWLOCS-PEMVHADBSA-N 430.457 1.605 0 40 IDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)C1 540023229 JYGNUQXAEZOJEL-MRXNPFEDSA-N 439.563 1.217 0 40 IDAB O=C(c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)N1CCO[C@H](CCc2ccccc2)C1 543599418 WOUWBLHMODYBHV-QGZVFWFLSA-N 439.497 1.572 0 40 IDAB O=S1(=O)CC[C@@H](NN(C(c2ccccc2)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1 575420695 JEMHLGVHLFYJPX-WOJBJXKFSA-N 434.583 1.957 0 40 IDAB CN1c2ccc(F)cc2N(CCNS(=O)(=O)Cc2noc3ccccc23)S1(=O)=O 575611657 HONYVCXFJVPDSS-UHFFFAOYSA-N 440.478 1.588 0 40 IDAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CCC[C@H](OCC4CC4)C3)cn2)CC1 681772408 GXALAHXGFRMCJY-SFHVURJKSA-N 437.566 1.586 0 40 IDAB Cc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 3066321 AJWACSICDGPONH-QZTJIDSGSA-N 428.553 1.717 0 40 IDAB O=C(O)CC[C@@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)O 8876308 OQMPPARVJPTCLN-SJORKVTESA-N 445.472 1.370 0 40 IDAB biogenic COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 9592797 PEBLOMRVAPKRIM-AZWQULSGSA-N 438.436 1.970 0 40 IDAB COc1ccc(C(C)=O)cc1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 10664635 KHHAGKMIFSFOSG-UHFFFAOYSA-N 435.502 1.578 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 13557323 HLHMBDWIDANGKA-UHFFFAOYSA-N 442.493 1.667 0 40 IDAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)Oc2ccccc21 13677876 WGUYILBQDAVCTP-FQEVSTJZSA-N 434.514 1.980 0 40 IDAB COC(=O)c1sccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 15606752 YFILNFLTLCNTRB-UHFFFAOYSA-N 440.499 1.817 0 40 IDAB CN1c2ncccc2C(=O)NC12CCN(C(=O)CCN1C(=O)[C@H]3CCCC[C@@H]3C1=O)CC2 18206377 YAMTWQLZICAOOR-HOTGVXAUSA-N 439.516 1.145 0 40 IDAB Nc1nc2c(cc1C(=O)NCc1ccccn1)CN(S(=O)(=O)c1ccc(F)cc1)CC2 19700606 YOTWDZPAMGBCRN-UHFFFAOYSA-N 441.488 1.875 0 40 IDAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 22239310 JVDGIANBTLZBSZ-MRXNPFEDSA-N 442.491 1.815 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCCN1CCOCC1 22249049 MAWSGURGKGJARV-UHFFFAOYSA-N 433.958 1.198 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)CC1 24613348 POHKXWPXASHFEM-UHFFFAOYSA-N 445.944 1.745 0 40 IDAB O=C(NCCN1CCOCC1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 33260412 PXUFIXAOYXSWAZ-UHFFFAOYSA-N 435.532 1.456 0 40 IDAB CN(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2c(=O)[nH]1 35393021 FXZOWTQJBZINKW-KRWDZBQOSA-N 440.525 1.575 0 40 IDAB COc1ccc(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c3c(C)nn(C)c3n2)cc1 36613265 FUKHOWWARVDANX-UHFFFAOYSA-N 443.529 1.670 0 40 IDAB Cc1nnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1 37866292 ZPSPLYYOEFGMIF-UHFFFAOYSA-N 435.579 1.622 0 40 IDAB COCCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 40158503 PXWMKMKUJRCMIN-UHFFFAOYSA-N 441.550 1.741 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2 64965708 MOSCXWKZDNSHSZ-UHFFFAOYSA-N 445.472 1.712 0 40 IDAB CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc23)CC1 72260167 VSCMNQVOPPLSCY-UHFFFAOYSA-N 446.511 1.683 0 40 IDAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CC[C@@H](O)[C@H]4CCCC[C@@H]43)CC2)Oc2ccccc21 72326151 FITYWQWDWQCQAH-DOCQIZIDSA-N 441.528 1.670 0 40 IDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CC[C@@]3(CCC2=O)Nc2ccccc2S(=O)(=O)N3)C1 72342463 AQUNBDLGTBRWTD-MRUHUIDDSA-N 434.562 1.604 0 40 IDAB O=S(=O)(NC[C@H]1COC2(CCCCC2)O1)c1ccc(N2CCCCS2(=O)=O)cc1 77200695 GPUUDKUPIDCZCK-KRWDZBQOSA-N 444.575 1.971 0 40 IDAB O=C(NC1CCN(c2nccs2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 96099797 SQXNMAJJXMYMEJ-UHFFFAOYSA-N 436.559 1.563 0 40 IDAB CC(C)C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 169679491 HUYQJPSECCTJSR-BENORSOKSA-N 431.514 1.494 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 222379934 VZRZULSYZLIMHZ-SFHVURJKSA-N 446.573 1.771 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222435621 XEZMPHBSRNQGQO-MRXNPFEDSA-N 443.525 1.693 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)s1 224549131 LZFHNEBSUAPYFI-UHFFFAOYSA-N 434.496 1.347 0 40 IDAB COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(C)=O)CC2=O 253399078 IGJFAKOBPKXGGK-OPCATCLCSA-N 443.544 1.601 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@H]2c2cccc(CNC(=O)CO)c2)cc1 257282080 OSGHYQRHDKZVJY-VXKWHMMOSA-N 425.529 1.308 0 40 IDAB CC(C)Cc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257333313 YBAYKDASGRAXFU-VXKWHMMOSA-N 427.593 1.834 0 40 IDAB O=C(NCC1CCOCC1)C1CCN(C2=NO[C@@H]3CN(C(=O)c4ccco4)C[C@H]23)CC1 306135897 PDZHJSUFOYJMJP-PKOBYXMFSA-N 430.505 1.319 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 408678213 HGJFXIAOQGDOPF-UHFFFAOYSA-N 441.456 1.746 0 40 IDAB NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2[C@H]3Cc4c(Br)cccc4[C@@H]32)cc1 1213318227 BMOYHTIMAUPDPS-CWRNSKLLSA-N 443.344 1.713 0 40 IDAB COC1(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)CCN(S(C)(=O)=O)CC1 1889218764 DMLUJXWFFRCZCJ-UHFFFAOYSA-N 437.440 1.201 0 40 IDAB Nn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(OC(F)F)cc1 3565353 RWXZKHSBCIAOEJ-UHFFFAOYSA-N 438.416 1.971 0 40 IDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 8692351 DUVVIBBOEMVUCH-LBPRGKRZSA-N 429.470 1.004 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)c1 9172233 GGIIMKVTOBKJCO-UHFFFAOYSA-N 449.510 1.777 0 40 IDAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1cccnc1 9340608 RKSQYXICRAPZCN-RDJZCZTQSA-N 448.520 1.443 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1cccnc1 9715258 VLCAXRQBKJECSY-SFHVURJKSA-N 430.530 1.448 0 40 IDAB COc1ccc(CCNC(=O)C(=O)NC[C@H]2OCCN2C(=O)c2ccc(Cl)cc2)cc1 12080709 FUYDQAYNQRVTGC-LJQANCHMSA-N 445.903 1.622 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 12322969 NAZCUKXYMOUZAS-QGZVFWFLSA-N 444.507 1.141 0 40 IDAB CCC[C@@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O 13097740 XBTFOCXRHAOXEG-IBGZPJMESA-N 434.562 1.550 0 40 IDAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 13513656 KROXGCORYSHQFW-HUUCEWRRSA-N 431.580 1.252 0 40 IDAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)N1CCN(C)CC1 13557309 DYETYILBGCWBFC-GQAKTHPZSA-N 430.574 1.561 0 40 IDAB COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16024984 NKZXHBWKHXAHSY-FDGPYGQJSA-N 435.480 1.392 0 40 IDAB COc1cccc(-n2c(=O)[nH]c(O)c([C@@H]3NCCc4cc(OC)c(OC)cc43)c2=O)c1 16994781 ORSJLFFXTGOHRE-LJQANCHMSA-N 425.441 1.492 0 40 IDAB biogenic CC(C)S(=O)(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCOCC1)CC3 19451046 CQNIAVAOYLYOBG-IBGZPJMESA-N 449.577 1.847 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccncc3)[nH]c2=O)C1 19520475 GKLNJUWRGOQITK-KRWDZBQOSA-N 431.518 1.240 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19530598 WFLFNNVOUSSOAL-KRWDZBQOSA-N 431.537 1.060 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1 19572622 MIVLEGOROJQGDT-KRWDZBQOSA-N 434.493 1.594 0 40 IDAB CS(=O)(=O)c1ccc(CC(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)cc1 19573395 YQTORHSUOMGBLB-UHFFFAOYSA-N 436.555 1.837 0 40 IDAB CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)Cn4cccn4)CCO3)nc3ccccc23)CC1 19762177 SKVNZKUBOBEFPS-QFIPXVFZSA-N 448.527 1.419 0 40 IDAB O=C1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 19961085 WEGLFFPWERSCCK-GFCCVEGCSA-N 438.271 1.978 0 40 IDAB COC(=O)CN1CCN(C(=O)c2cn(C(C)C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 23108708 AFQPAXIEMKSBNV-UHFFFAOYSA-N 437.500 1.651 0 40 IDAB CCn1c(=O)n(C[C@@H](O)COc2ccc(F)cc2)c2cc(S(=O)(=O)N(C)C)ccc21 28918827 UFGFRMTYBBMIHW-OAHLLOKOSA-N 437.493 1.652 0 40 IDAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(N)=O)C1=O 57996331 HXNWWGKWHGSDEI-CJFMBICVSA-N 444.491 1.820 0 40 IDAB CCOC(=O)C[C@@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)c1cccc(OC)c1 58133073 JNNLYEJBIYVSGG-QGZVFWFLSA-N 443.522 1.298 0 40 IDAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 79060981 ILLGNPXGINGWKR-OWCLPIDISA-N 429.608 1.772 0 40 IDAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3cccc(Cc4ccccc4)n3)[C@H]2O)CC1 257232352 GKNKCBCNABWELH-WXFUMESZSA-N 436.556 1.800 0 40 IDAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)[C@H]2Cc4ccccc4O2)C3)n1 306125059 CFYIUKHOEFMEOS-SJLPKXTDSA-N 429.498 1.183 0 40 IDAB CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)CN(C(=O)c3ccccn3)CC2)C1 306127043 FMLSCCIEQRCONQ-HSZRJFAPSA-N 436.516 1.302 0 40 IDAB CC1(C)CC[C@H]2C[C@@H](NC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)c3cccc1c32 539618222 SRBJWSHRWBREPV-BLLLJJGKSA-N 430.530 1.808 0 40 IDAB CN([C@H](C(=O)O)c1ccc(F)cc1)S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 547925045 OHGUQCVCISYPOQ-KRWDZBQOSA-N 442.490 1.812 0 40 IDAB O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)N1CCN(c2cc3c(nn2)CCC3)CC1 575619271 JFRMHKNYKJZAMA-UHFFFAOYSA-N 434.475 1.677 0 40 IDAB CN1C(=O)COc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)cc21 1544268271 KFXJYWGTOKXWPN-CRAIPNDOSA-N 427.432 1.324 0 40 IDAB O=c1c2c(Cl)c3c(=O)n(-c4ccccn4)c(=O)c3c(Cl)c2c(=O)n1-c1ccccn1 712374 YAAPOJMDHYKQIB-UHFFFAOYSA-N 439.214 1.988 0 40 IDAB CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 6461982 BVNQMSDOLVNIEC-UHFFFAOYSA-N 449.533 1.793 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)cc1 6499042 QXPDDJLKCHUTBD-FUHWJXTLSA-N 437.562 1.196 0 40 IDAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 8724884 QJKNAXXYVIFRKD-UHFFFAOYSA-N 445.476 1.988 0 40 IDAB COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3ccncc3)s2)cc1 8770754 PAFLLMULFVNUSO-QOCHGBHMSA-N 425.470 1.551 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2cccc(C)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 8834004 LERJREBRRWXADA-PFAUGDHASA-N 437.445 1.030 0 40 IDAB biogenic C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O 9336571 LKIYDXOXTSIATL-QFIPXVFZSA-N 447.455 1.936 0 40 IDAB COc1ccc(NC(=O)CNc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 9373225 GWYIAXIGBHHOPS-UHFFFAOYSA-N 435.502 1.775 0 40 IDAB CCOC(=O)C1=C(COC(=O)c2cnc(C)cn2)NC(=O)N[C@@H]1c1ccc(OC)cc1 9644404 HSLQCXVJXLSYNC-GOSISDBHSA-N 426.429 1.822 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2cccnc2)c1 9715710 BMOLSMCEKLUYCC-SFHVURJKSA-N 430.530 1.284 0 40 IDAB O=S(=O)(CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 11540006 ZTSLQYLJMKXMDV-UHFFFAOYSA-N 428.557 1.669 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1 11866604 AKIKRFUUPYHJNR-UHFFFAOYSA-N 427.482 1.124 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3C[C@H](C)O[C@H](C)C3)CC1)O2 12087101 BDYPNKHNYDPXPL-VBURHUQHSA-N 445.516 1.205 0 40 IDAB Cc1csc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)c1 12236267 XOSXDBRGLWWYSZ-UHFFFAOYSA-N 431.543 1.999 0 40 IDAB CN(C)c1nc(N)nc(COC(=O)c2ccc(-n3nnc(Cc4ccccc4F)n3)cc2)n1 12414063 UMDMUEHCBGXFPS-UHFFFAOYSA-N 449.450 1.582 0 40 IDAB O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc2c(c1)CCC2 12557117 XZXCDHFNJUMFCV-UHFFFAOYSA-N 438.527 1.703 0 40 IDAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](CO)C(C)C 12881793 GOIWTMSFBJMTAQ-VQPHJOTRSA-N 433.574 1.920 0 40 IDAB biogenic COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1csc(N2CCCC2=O)n1 12908913 ZQRYBXNAUOOQEV-UHFFFAOYSA-N 438.531 1.710 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)cc1 12993029 PODDLTUHKYXKFV-UHFFFAOYSA-N 434.562 1.901 0 40 IDAB CCCn1c(N)c(C(=O)COC(=O)c2oc3ccc(OC)cc3c2C)c(=O)n(C)c1=O 14200759 VNOOUOAYCADYGZ-UHFFFAOYSA-N 429.429 1.642 0 40 IDAB Cn1c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)cc(=O)n(C)c1=O 19288690 FASZULGSOYWSDG-CQSZACIVSA-N 427.486 1.263 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 20245194 UYVAPKXXDDCISW-UHFFFAOYSA-N 434.537 1.783 0 40 IDAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)Cn2nc(O)c3ccccc3c2=O)c1 23111586 ZBLKBXMMZDVMFG-UHFFFAOYSA-N 430.486 1.105 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 32071226 QFTCXIZINHGBMN-AWEZNQCLSA-N 425.441 1.574 0 40 IDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 32809422 DQPCKTLRIIIGOO-UHFFFAOYSA-N 437.522 1.092 0 40 IDAB Cn1c(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCC(F)(F)F)cnc2n(C)c1=O 32902095 PDDMWCQPHBZAFU-UHFFFAOYSA-N 435.362 1.177 0 40 IDAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O 32915319 YELDCDLIAKRNIX-QFIPXVFZSA-N 426.473 1.915 0 40 IDAB COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 35597422 XLKBRQCZLXGBFN-UHFFFAOYSA-N 435.502 1.272 0 40 IDAB COc1ccc(CN2CCN(C(=O)CN3CCOCC3)CC2)c(Br)c1OC 40156916 YYEMXFSPLGRNRS-UHFFFAOYSA-N 442.354 1.443 0 40 IDAB C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 48302495 KULHQTZOBFRAEZ-JSGCOSHPSA-N 437.616 1.987 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccccc1OC 67287600 BCGIJCQQRMZVCV-LJQANCHMSA-N 446.504 1.640 0 40 IDAB O=C1NC(=O)[C@@]2(CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)C2)N1 72290900 WBFPLCBVKNLGCL-JPYJTQIMSA-N 436.468 1.335 0 40 IDAB Cc1c([C@@H]2C[C@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)N(C)S(=O)(=O)N2)cnn1C 72335093 OEHPAPNLZMSTCU-YAVWMNLKSA-N 435.594 1.641 0 40 IDAB C[C@H]1CCCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)Nc2ccccc2S(=O)(=O)N3)C1 72342473 MOJNBVJGCKZROS-QYWGDWMGSA-N 434.562 1.746 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 103428351 ZTFCDTCGMMSZJI-LUVWLHFXSA-N 427.457 1.855 0 40 IDAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-n2cnnc2)c1C 223681033 ZAEPSYUKILSABO-OALUTQOASA-N 425.518 1.938 0 40 IDAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238905471 RUXDXSALYQYEIA-HDICACEKSA-N 433.464 1.622 0 40 IDAB COCCn1cnc2cc(C(=O)N3C[C@@H](O)[C@H](n4ccc5c(C(N)=O)ccnc54)C3)ccc21 257307736 TTWMQINLSSWYPA-WOJBJXKFSA-N 448.483 1.189 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc1 408658934 RZFXBVGUKWTAQP-MRXNPFEDSA-N 438.440 1.320 0 40 IDAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)cc1 575606235 GVHULAXEISKHMV-UHFFFAOYSA-N 446.577 1.579 0 40 IDAB C[C@@H]1C[C@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C(=O)N1c1cnn(C)c1 645037761 KTTVFNTVZYQGFR-YPMHNXCESA-N 444.293 1.729 0 40 IDAB O=C(COC(=O)c1cccnc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3312604 DHBUXXAGPHWCQQ-UHFFFAOYSA-N 439.877 1.551 0 40 IDAB CCC[C@]1(C(=O)OC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 4388774 YITHMDNOIAFBJL-DOWNOZBLSA-N 434.489 1.690 0 40 IDAB COc1cc(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 9129334 SMGWWIVYNVKZDU-UHFFFAOYSA-N 425.532 1.889 0 40 IDAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccccn1 9410567 RABCMPGFDFAAKK-UHFFFAOYSA-N 430.530 1.305 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3cccnc3)C2)cc1 9423110 XKCLYTUTBLHJBY-OAHLLOKOSA-N 432.502 1.246 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)N2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 9683090 ISYCDTVQVSFOSE-WHEQGISXSA-N 425.441 1.896 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccco1 9744361 ZOXDLMOCRSLDDO-MRXNPFEDSA-N 437.493 1.785 0 40 IDAB Cc1cnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 11480864 AQWKRIVPUAJZII-UHFFFAOYSA-N 438.893 1.128 0 40 IDAB C[C@H]1CN(C(=O)CN2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc3C2=O)C[C@@H](C)O1 12086708 QQRNJFYYRKHADD-MFEFFIJZSA-N 429.517 1.538 0 40 IDAB CC(C)(C)NC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 12410003 QSUJBUSRQGQOQY-LBPRGKRZSA-N 439.563 1.123 0 40 IDAB CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(C(=O)OC)cc1 12856852 ILDHOERVCZVMAA-DOTOQJQBSA-N 436.486 1.564 0 40 IDAB CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C 12889751 MVXWMRJNABVTPR-GQIGUUNPSA-N 427.567 1.196 0 40 IDAB biogenic O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12914450 AAQMVINXAAVXBH-LJQANCHMSA-N 447.488 1.839 0 40 IDAB COC(=O)c1c(NC(=O)CN2CCCC[C@@H]2CNS(C)(=O)=O)sc2c1CCCC2 12974582 KXXMZTDAUBVROE-CYBMUJFWSA-N 443.591 1.756 0 40 IDAB C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 13075079 BMGQPENPGVDIDG-AWEZNQCLSA-N 449.485 1.364 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 14230154 YKPVDOYPIKNJJF-UHFFFAOYSA-N 442.515 1.526 0 40 IDAB CC1CCN([C@@H](CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c2cccs2)CC1 14515244 WGMOMLFVDKEACP-HNNXBMFYSA-N 444.561 1.085 0 40 IDAB COC(=O)c1sc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C(=O)OC)c1C 16096267 TWYWKYPBGKKIMN-UHFFFAOYSA-N 447.512 1.834 0 40 IDAB C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 16970752 DYVKEUJHAHTUEI-WMLDXEAASA-N 437.518 1.166 0 40 IDAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCN(CCO)CC1 19372316 ZFAJANQWHDXMOS-UHFFFAOYSA-N 439.310 1.265 0 40 IDAB Cc1nc([C@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2Cc1ccccn1 19698484 DLQXSZZFRIJQFA-GOSISDBHSA-N 444.561 1.993 0 40 IDAB CCOC(=O)C1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 20745436 MSDCWUVBNATHAS-HNNXBMFYSA-N 431.445 1.028 0 40 IDAB O=C(COc1ccc(F)cc1F)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 24570257 LMPDQXGNFLMTBS-UHFFFAOYSA-N 426.441 1.681 0 40 IDAB CC(=O)OC1[C@H](OC(C)=O)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@H]1OC(C)=O 28539583 MYQGCBXRGIEDNW-GJZGRUSLSA-N 432.212 1.662 0 40 IDAB Cc1ccc(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c3c(C)nn(C)c3n2)cc1 36613572 DMPMGKDIGIOCKS-UHFFFAOYSA-N 427.530 1.970 0 40 IDAB COC(=O)C1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)CC1 44914710 CSKSGVULNFDYSU-SFHVURJKSA-N 438.546 1.923 0 40 IDAB COc1cc(OC)c(NC(=O)Cn2nc3c(N4CCOCC4)nccn3c2=O)cc1Cl 49399980 SKOPGTGOLIBXQG-UHFFFAOYSA-N 448.867 1.037 0 40 IDAB O=C(CN1CCC2(CC1)NC(c1ccccn1)=NO2)N1CCN(c2ccc(F)cc2)CC1 67317445 MKFIJGBEJRBGHB-UHFFFAOYSA-N 438.507 1.643 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NC[C@H]1COCCO1 72327685 DTWHLEULIXIYGH-YCRPNKLZSA-N 436.892 1.588 0 40 IDAB COC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 78878578 VJHCYGXPUVCNNL-NSHDSACASA-N 446.323 1.460 0 40 IDAB NS(=O)(=O)CCN1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 78963614 BIHVKZUPHBCRLZ-UHFFFAOYSA-N 428.967 1.439 0 40 IDAB CSc1ncc(C(=O)Nc2ccn(CC(=O)N3CCN(C)CC3)n2)n1-c1ccccc1 89382584 QJGURUUBWLGKBS-UHFFFAOYSA-N 439.545 1.817 0 40 IDAB O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 95461141 FIJHDBJRJRWSLP-UHFFFAOYSA-N 436.512 1.295 0 40 IDAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(c3n[nH]cc3C(=O)N(C)C)CC2)cc1 257229538 FYLYCIQLJRUGQD-UHFFFAOYSA-N 447.561 1.358 0 40 IDAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 408588451 GHRFHJCCBYZHGJ-ZDUSSCGKSA-N 441.531 1.427 0 40 IDAB O=S(=O)(CCOc1ccccc1)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147769 ZGGUPXLKNOKIAU-UHFFFAOYSA-N 437.543 1.719 0 40 IDAB C=CC(=O)N(CC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1136113299 JDNQZYARJMZOHM-UHFFFAOYSA-N 433.452 1.573 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc(OC)c(OC)cc2oc1=O)C(=O)O 2117617 CZDXKILKCGBBOE-GIPWTMENSA-N 448.472 1.393 0 40 IDAB biogenic COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 3426727 ZROMIXYVWRLPEA-KBXCAEBGSA-N 434.518 1.218 0 40 IDAB CNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3433778 ZOQCAQNPWZVZMY-UHFFFAOYSA-N 431.470 1.046 0 40 IDAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O 9498747 OKJUAZJJFRABKT-GOSISDBHSA-N 442.925 1.880 0 40 IDAB COc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 9671312 DXOBFMQHZQNZNP-UHFFFAOYSA-N 445.541 1.575 0 40 IDAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 11859353 JQIBTMKDCYIJLW-UHFFFAOYSA-N 435.527 1.264 0 40 IDAB O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1)OC[C@H]1CCCO1 12136964 DDBYWWUJLWMZRW-HUUCEWRRSA-N 439.921 1.267 0 40 IDAB O=C(NCCc1ccccc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 12140238 RGMJFMOULNMUIN-IBGZPJMESA-N 449.504 1.038 0 40 IDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12599238 MQAONDYLTZKIMR-BTYIYWSLSA-N 439.468 1.727 0 40 IDAB Cc1cc(NC(=O)[C@@H](OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c2ccccc2)no1 12909729 QFNCEENAMWEDRK-SFHVURJKSA-N 442.453 1.704 0 40 IDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1nc(-c2cccs2)oc1=O 13006462 RCINUULJWUPDIT-UHFFFAOYSA-N 441.469 1.477 0 40 IDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1 13020586 CJLKYVJWOHYALP-HNNXBMFYSA-N 429.564 1.471 0 40 IDAB CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(c3nc(Cl)nc4[nH]cnc34)C2)CC1 13551023 CZYMNBVSLJJWLK-LBPRGKRZSA-N 435.916 1.960 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(N2CCCC2=O)cc1 14189526 ABPRWFWTXKTFKL-HSZRJFAPSA-N 434.452 1.982 0 40 IDAB COc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14607225 JHLVIABRZYLXLR-HXUWFJFHSA-N 436.512 1.375 0 40 IDAB CCOC(=O)[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OC)cc1 17296786 FNFOTKRBKALEDD-NSHDSACASA-N 431.474 1.287 0 40 IDAB Cc1nnsc1C(=O)N1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCCC3)n2)C1 19563518 LKIFLYSHNJZFOY-GJZGRUSLSA-N 429.550 1.617 0 40 IDAB Cc1nn(CC(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)c(=O)c2ccccc12 19565969 AAIVJNYSOJNUHE-UHFFFAOYSA-N 432.484 1.298 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)CN2CCCC2=O)CCO1 19702859 JENKOWMAHHJEJB-OAHLLOKOSA-N 446.529 1.195 0 40 IDAB CCOC(=O)c1cnc(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)nc1N 24417967 DGNRLGBMVDSQOM-UHFFFAOYSA-N 426.520 1.657 0 40 IDAB O=C(CNc1cc(Br)ccc1Br)N[C@H]1CCS(=O)(=O)C1 25713352 KFGAXBGENGSNLN-VIFPVBQESA-N 426.130 1.927 0 40 IDAB CCOc1ccc(OCCNC(=O)NCCNS(=O)(=O)c2ccc(OC)cc2)cc1 29325351 AUAOJFWAOGMZGD-UHFFFAOYSA-N 437.518 1.750 0 40 IDAB CN1CCc2c(c(N3CCOCC3)nc3sc(C(=O)NC[C@H]4CCCO4)c(N)c23)C1 31811454 GZNBOOXBTCGPMY-CYBMUJFWSA-N 431.562 1.612 0 40 IDAB O=C(c1cc(Br)ccc1F)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 32837027 BTCZTHQASPCXQM-LLVKDONJSA-N 433.299 1.307 0 40 IDAB COc1ccccc1CN(CCN1CCOCC1)C(=O)CN1C(=O)COc2ccccc21 35313824 YFGVMPIXGFSSOP-UHFFFAOYSA-N 439.512 1.782 0 40 IDAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCN(c3ncccn3)CC1)cn2CCC(=O)O 36354332 QKFKBVIRFPDJFC-HXUWFJFHSA-N 439.472 1.863 0 40 IDAB COc1ccccc1C(=O)NCCC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 48299287 ZKLPIRCEPBFHKD-SFHVURJKSA-N 428.411 1.505 0 40 IDAB CCOC(=O)Cn1nnnc1CN(CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O 57640350 DAJCAMAAZAHSLW-UHFFFAOYSA-N 428.493 1.079 0 40 IDAB C[C@@H](C(=O)N1CCCCC1)N1CCN(c2ncnc3c2c(Br)nn3C)CC1 79106130 PVDMATAXIBNMCA-ZDUSSCGKSA-N 436.358 1.649 0 40 IDAB COCCCn1c(=O)/c(=C/c2ccc(OC)cc2)s/c1=C(\C#N)C(=O)N1CCCC1 89410426 MBCDKCWWNZNFNY-BFKYFURJSA-N 427.526 1.080 0 40 IDAB Cc1cccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)c1 96225918 RIDAVRGDRVWMPR-NRFANRHFSA-N 428.514 1.958 0 40 IDAB CCCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 101360917 HEQTYXGTZHVIOU-QSNWEANLSA-N 429.425 1.741 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1 225605676 QHZUJNDNVVXBQY-QGZVFWFLSA-N 434.470 1.831 0 40 IDAB Cn1c(=O)c2c([C@H]3CCCN(C(=O)[C@@H](N)Cc4ccc(F)cc4)C3)ccnc2n(C)c1=O 257236705 HDIAKTKWCDBWMW-YJBOKZPZSA-N 439.491 1.047 0 40 IDAB COc1c2c(cc3c1[C@H](CNC(=O)c1ccc4c(c1)NC(=O)CO4)N(C)CC3)OCO2 526052455 GXMBTAUXJFFSEL-HNNXBMFYSA-N 425.441 1.714 0 40 IDAB COc1cc(CN(C)C[C@]2(O)CCN(c3ncccn3)C2)ccc1OCCCN(C)C 585271493 FUPLBKPDKFKCEE-HSZRJFAPSA-N 429.565 1.889 0 40 IDAB O=C(Cn1cncn1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575366 QEOAMFAZGNQWCP-UHFFFAOYSA-N 441.532 1.584 0 40 IDAB O=C(c1cnc(O)n(-c2ccccc2)c1=O)N1CC(n2nc(-c3ccncc3)ccc2=O)C1 1775974581 VWEVKJZFZXAGKB-UHFFFAOYSA-N 442.435 1.254 0 40 IDAB NS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)cc1 1888864124 RZVGIIGEWHIUFH-OKILXGFUSA-N 440.447 1.956 0 40 IDAB Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1C 3557239 BTIXRSMKABDKAE-UHFFFAOYSA-N 446.525 1.987 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCCSc1ccccc1)C2=O 8718945 VDBXWCGFFIXROA-UHFFFAOYSA-N 433.530 1.939 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)cc1 8849712 JERSQWKQLJQEPD-UHFFFAOYSA-N 435.440 1.290 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC3CCCC3)nc(-c3ccccc3F)nc2n(C)c1=O 8902162 OESXSLPYMXKDHR-UHFFFAOYSA-N 443.504 1.984 0 40 IDAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NC[C@H]1COc2ccccc2O1 9056172 MPXMYQGOGJSOQQ-HNNXBMFYSA-N 449.554 1.914 0 40 IDAB COc1ccc(OC)c(-n2c(C)c(C)n3c4c(=O)n(CC(C)=O)c(=O)n(C)c4nc23)c1 9713138 MZYSYZQMWAVYHN-UHFFFAOYSA-N 425.445 1.362 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)c1ccc2c(c1)OCCO2 10279987 ACZBREUPACCHFV-UHFFFAOYSA-N 425.551 1.606 0 40 IDAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@H]1COc2ccccc2O1 12698933 MHZDPLMHWLFITE-HKMNZKMDSA-N 444.509 1.677 0 40 IDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)nc2n1 13097382 WCQNZOKNSSCZOD-VIFPVBQESA-N 442.501 1.822 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15959440 OJLSSLQLXZDJDV-VMUNQBKASA-N 433.508 1.647 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@@H]([C@@H](C)O)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 16020877 BUPDNDBUWANODG-ROSKJNRBSA-N 439.443 1.136 0 40 IDAB O=C(OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc2ccccc2[nH]1 19119406 TWIHPTXJNYQIOS-UHFFFAOYSA-N 441.509 1.999 0 40 IDAB NC(=O)NCCC(=O)N1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)CC1 22023864 CJIKEZJLIQGFLH-UHFFFAOYSA-N 446.558 1.416 0 40 IDAB COc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 22229126 QMXMGGDXJAYXRT-UHFFFAOYSA-N 431.514 1.777 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1 25995211 ZCTRTPWGOARVBN-UHFFFAOYSA-N 441.509 1.243 0 40 IDAB CSc1ccc(N2C[C@H](C(=O)NCc3cccc(NS(N)(=O)=O)c3)CC2=O)cc1 32754080 GZIQITBANVJSTM-CQSZACIVSA-N 434.543 1.693 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 32997849 JOLIGBAUSPFZQA-QHCPKHFHSA-N 431.452 1.275 0 40 IDAB CCCCN(C(=O)CN1CCc2ccccc2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 34800931 GFYXCHBSJVZTTB-UHFFFAOYSA-N 427.549 1.966 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)o1 40094603 UAAFIVLSLULMOC-UHFFFAOYSA-N 436.442 1.332 0 40 IDAB O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)NCCc1ccccc1 44903537 AJYJFQHZUZOXSY-UHFFFAOYSA-N 431.540 1.924 0 40 IDAB COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 58016653 IUHXVLGNUVPAAZ-KRWDZBQOSA-N 430.505 1.385 0 40 IDAB COC(=O)Cn1ccnc1CNC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 89587471 ZEVSHAVSQJOXLH-ZDUSSCGKSA-N 449.305 1.796 0 40 IDAB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1 95959108 CJVXMDIESHIILA-KBPBESRZSA-N 442.559 1.958 0 40 IDAB O=S(=O)(c1ccccc1)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 96444310 SKXOVIKPWBSUDK-UHFFFAOYSA-N 443.577 1.583 0 40 IDAB CCOC(=O)C1=NN(CCC(C)=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100939470 XSIBGWBWCQDLDE-HIFRSBDPSA-N 436.262 1.521 0 40 IDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 108977645 UWRSMHYKYWQDQM-UYAOXDASSA-N 438.553 1.991 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccco1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 247816697 GECBPMWPXOXFKH-LVBDUCALSA-N 437.452 1.182 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408657317 JKQMXNCSUHPXOC-MWRXHXJCSA-N 426.425 1.151 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2cc(-c3ccc(F)cc3)no2)C1 585290578 CXWDUXDQVXRJQR-RTWAWAEBSA-N 447.488 1.367 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(c5cc(C)nc(SC)n5)C[C@H]4C3)ncnc21 1888913938 XTKUXYRXHMUVAX-GJZGRUSLSA-N 426.550 1.866 0 40 IDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 3426730 ZROMIXYVWRLPEA-RDTXWAMCSA-N 434.518 1.218 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 6407094 YLTPHUYLFILXBM-QGZVFWFLSA-N 441.532 1.927 0 40 IDAB COCCn1c(CCC(=O)NC2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 6648150 PLMSNOGTJDJEJJ-UHFFFAOYSA-N 433.553 1.960 0 40 IDAB O=C(CSc1nnc2ccccn12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 8692603 VUAWFYCUHCALBW-UHFFFAOYSA-N 433.515 1.481 0 40 IDAB CC1=NN(CCN2CCCCC2)c2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n2C1 8706285 OIYUQAQBMOMQQX-UHFFFAOYSA-N 449.559 1.935 0 40 IDAB O=C(OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)c1ccccc1NCCO 9157639 CBLIEZYIRDDEAK-KRWDZBQOSA-N 438.546 1.596 0 40 IDAB COc1cc(CCC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc(OC)c1 9217751 YNAYVIZZAXDUKY-UHFFFAOYSA-N 444.532 1.211 0 40 IDAB CCn1cc(C(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)c(=O)c2ccc(C)nc21 9729179 DDBBXIUXSJEQSZ-QHCPKHFHSA-N 449.467 1.845 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)Cc3cc(C(C)=O)ccc3OC)C2=O)cc1 10276287 XRMPFRLIKKVSSD-JOCHJYFZSA-N 425.441 1.947 0 40 IDAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O 10601782 UUOWXKCWCLQQDI-UHFFFAOYSA-N 431.367 1.868 0 40 IDAB CCOCCn1c(N2CCN(C/C=C/c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 12529893 DGKNTBCAQQCWNA-JXMROGBWSA-N 438.532 1.295 0 40 IDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 12564060 BVERXWHIWGGEQM-AWEZNQCLSA-N 429.458 1.200 0 40 IDAB CCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)[C@H]1CCS(=O)(=O)C1 12567706 WYFSODKJUSWNMB-ORAYPTAESA-N 439.559 1.257 0 40 IDAB CC[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Br)cc1 12576220 DWEWNSDRBRIKLH-ZDUSSCGKSA-N 434.294 1.464 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccco2)cc1 13151019 MZLGTQLSLUPHCM-QGZVFWFLSA-N 449.529 1.190 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C)c1 17171298 OYYUWDMPMSQNJM-UHFFFAOYSA-N 437.606 1.851 0 40 IDAB COc1ccccc1C(=O)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 19697274 DBPAVQPJCRNYKP-UHFFFAOYSA-N 439.516 1.530 0 40 IDAB Cc1nc(CC(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)cs1 19705480 QQZIBGSJYZDWQX-OAHLLOKOSA-N 446.554 1.926 0 40 IDAB Nc1nc(C2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1C(=O)NC1CCCC1 19766786 VCGKFUCOPAMOLI-UHFFFAOYSA-N 437.566 1.093 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23712727 KYQYWBHCNWXOAT-UHFFFAOYSA-N 433.486 1.029 0 40 IDAB C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 24756795 GYEFWVKFYANGKH-SWLSCSKDSA-N 444.351 1.054 0 40 IDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24775503 UNEAVVKJEBYBOC-UHFFFAOYSA-N 426.502 1.337 0 40 IDAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 29363305 VBCNOKUBNRNHOX-MOPGFXCFSA-N 447.557 1.498 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)s2)CC1 31813600 LAWYYPABFHSOGN-UHFFFAOYSA-N 426.520 1.193 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)C[C@H](C)O1 40072445 DONFSMQVLUPKAD-JYJNAYRXSA-N 428.530 1.124 0 40 IDAB CN(CC(=O)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1)S(C)(=O)=O 48984817 FPMYLVHKEXFTTC-UHFFFAOYSA-N 441.560 1.049 0 40 IDAB Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)C2)n[nH]1 79107796 GBYHWKRJWLTSPT-CYBMUJFWSA-N 431.440 1.974 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)C3[C@H]4CCCC[C@H]34)CC2)c(-c2ccncc2)n1 100205368 KDZOBNCVHMVGMD-IRXDYDNUSA-N 429.546 1.751 0 40 IDAB O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCCn2ccnc2)CC1 101434538 FVDYDJQIXZKZKC-PUZFROQSSA-N 425.533 1.742 0 40 IDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(Br)cc3Br)C(=O)[C@H]12 103129574 WZDRINMQXQMNQM-UWVGGRQHSA-N 445.067 1.592 0 40 IDAB O=C(CCNS(=O)(=O)c1cccc(F)c1)NC[C@@H]1CCCN(c2nccs2)C1 206832130 RNTYPDNJQKBVBS-AWEZNQCLSA-N 426.539 1.983 0 40 IDAB Cn1c(=O)sc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 225072883 YVDQEYXISUEISC-UHFFFAOYSA-N 433.511 1.873 0 40 IDAB CN(C[C@@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)c1cccc(OCC(=O)O)c1 257203063 AONDUNGFROJQJS-QHCPKHFHSA-N 436.468 1.807 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408659739 MVIJSNNZSCSTFG-KODHJQJWSA-N 428.441 1.376 0 40 IDAB CN(C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1)S(=O)(=O)CCC(F)(F)F 1775970692 HXRPHCSGHIAFOZ-UHFFFAOYSA-N 441.439 1.589 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccccc5OC)C[C@H]4C3)ncnc21 1888932241 LXSIQZDPRXKRIU-GASCZTMLSA-N 428.518 1.612 0 40 IDAB COC1(C)CCN(C(=O)[C@H]2C[C@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1 2056226489 SGWXXMSNNVRPJL-AUUYWEPGSA-N 444.454 1.887 0 40 IDAB Cc1ccc(NC(=O)CN(C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cc1 3369945 QAEODQQKPHMDQI-UHFFFAOYSA-N 449.511 1.239 0 40 IDAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 8692587 KAGBKAFZSYQNDV-UHFFFAOYSA-N 436.559 1.348 0 40 IDAB CC(=O)N(c1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1)c1ccccc1F 9115619 MBMPWELXSGMMJE-UHFFFAOYSA-N 428.449 1.762 0 40 IDAB COc1ccc(/C=C2\SC(=O)N(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 9429837 HISNUMGDGYSLQC-VQCBNXJZSA-N 438.527 1.767 0 40 IDAB COc1cc(CC(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC 9579886 CQVDBRWXBIOQLL-UHFFFAOYSA-N 446.456 1.376 0 40 IDAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O 9672019 ZFVAHYWWDGURJI-IBGZPJMESA-N 428.411 1.905 0 40 IDAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCCCn1c(=O)[nH]c2ccccc21 9787748 QWMPTYOIRCJZOQ-UHFFFAOYSA-N 442.497 1.782 0 40 IDAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1 9987894 SFYMRDVWURMVRZ-UHFFFAOYSA-N 433.486 1.927 0 40 IDAB Cc1cc(C)c2c(c1)/C(=c1/sc3n(c1=O)CN(c1cccc(C(=O)O)c1)CN=3)C(=O)N2 10059037 ZCTAWZIJKOIISV-VLGSPTGOSA-N 434.477 1.431 0 40 IDAB CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Br)o1 10129043 RQMDFFCRHMQBOC-VIFPVBQESA-N 432.296 1.199 0 40 IDAB O=C(OCN1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 10734051 RCTHROMYSPVFAT-UHFFFAOYSA-N 430.438 1.118 0 40 IDAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O 12554132 LQQYWKXDYKBQCQ-OAQYLSRUSA-N 433.428 1.893 0 40 IDAB O=C1NCCN(C(=O)/C=C/c2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164538 MPCRLOUDUGUASH-VDZCTEQFSA-N 432.524 1.766 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)cc1 14232626 CGBMZFQYNYXCNW-CZUORRHYSA-N 433.486 1.268 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 15221168 FYFIIDCBJJFOGQ-AWEZNQCLSA-N 434.470 1.250 0 40 IDAB CN(C)C(=O)[C@H]1CN(CC(=O)Nc2ccccc2F)C[C@@]12COc1ccccc1C(=O)N2 19581093 LXHVXZDXKZHJGP-WAIKUNEKSA-N 440.475 1.345 0 40 IDAB O=C(CN1CCOCC1)N1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19761356 VBUDKHCMDJYJOQ-SFHVURJKSA-N 438.528 1.355 0 40 IDAB COc1ccc([C@H](CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)N2CCOCC2)cc1 22226894 BOTCZPUZHUIGLK-HBMCJLEFSA-N 441.528 1.526 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(C)CC1 22798340 ZUFKHLQQGVXOJJ-GOSISDBHSA-N 447.557 1.999 0 40 IDAB O=C(CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCN1CCOCC1 31794897 OJNPNAIHLSWBJQ-UHFFFAOYSA-N 436.512 1.321 0 40 IDAB CCNC(=O)c1cn(-c2ccc(SCC(=O)Nc3ccc4c(c3)OCCO4)nn2)cn1 33310093 FUUJITIIPOVZOV-UHFFFAOYSA-N 440.485 1.914 0 40 IDAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 35435348 CZWYSKQUGLIDLE-KXNRYXJBSA-N 441.553 1.412 0 40 IDAB Cc1ccccc1NC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3ccnc3)n2)CC1 35598026 QZOXUFQEAKSENP-UHFFFAOYSA-N 449.519 1.556 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)o1 40154155 BRHAZZXDDOCIEA-UHFFFAOYSA-N 426.495 1.643 0 40 IDAB O=C(NCC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2)c1c[nH]c2ccccc2c1=O 48299912 GZZXMMAXIGWKSU-SFHVURJKSA-N 434.500 1.940 0 40 IDAB CCCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4cccc(OC)c4)CC3)snc2c1=O 49409852 MSJKJMJDGCLDEO-UHFFFAOYSA-N 443.529 1.917 0 40 IDAB CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1 96225925 PPPBNPXYXCOZOG-FQEVSTJZSA-N 432.477 1.789 0 40 IDAB C[C@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 225903114 CPNWPLABYAGTHC-KRWDZBQOSA-N 433.626 1.932 0 40 IDAB Cc1cn([C@@H]2CN(C(=O)CCCc3nc4ccccc4n3C)CC[C@@]2(C)O)c(O)nc1=O 257225346 FFUPLZQZTICQHU-WZONZLPQSA-N 439.516 1.691 0 40 IDAB CC(C)N1CCN(C(=O)c2cn3c(nc2=O)[C@]2(CCN(C(=O)c4ccccc4)C2)CC3)CC1 306141846 WHXWQZVMLIMYDL-VWLOTQADSA-N 449.555 1.597 0 40 IDAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCCN1CCOCC1 408624402 UBRRSORGCVNKQY-UHFFFAOYSA-N 449.548 1.855 0 40 IDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 575426254 PQVCPVPCHKGTGW-KRWDZBQOSA-N 445.522 1.953 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)cc1 1888904373 JFKHWFJJNKZDBM-QZTJIDSGSA-N 441.557 1.813 0 40 IDAB CC(C)OCCCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 2688992 HUNLWHQDAYOPJH-IAGOWNOFSA-N 425.576 1.841 0 40 IDAB Cc1c(C)c2c(OCC(=O)NCC(=O)NCC(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3 8877450 BOLPOSIDHHGXRN-UHFFFAOYSA-N 446.456 1.209 0 40 IDAB biogenic CCOC(=O)/C=c1\s/c(=C\c2ccc(F)cc2)c(=O)n1CC(=O)N[C@H]1CCCC[C@@H]1C 9127324 ZAJVTOBDHGIBFN-YHUJVYASSA-N 446.544 1.916 0 40 IDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1 9284489 XJUSRYGEJXHJDL-UHFFFAOYSA-N 448.453 1.250 0 40 IDAB CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nnnn3C[C@@H]3CCCO3)ccc21 9416520 GPRMPSADIQPKDN-HNNXBMFYSA-N 437.547 1.539 0 40 IDAB COc1ccc(/C=C2\NC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 9705081 LXKKKRIZMXDVFD-YBEGLDIGSA-N 446.510 1.039 0 40 IDAB CC(C)(C)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 12444900 XBCPZPXLPAXVKV-UHFFFAOYSA-N 431.562 1.656 0 40 IDAB COc1ccc(C)cc1N(CC(=O)NCCC(C)C)C(=O)c1snc(C(N)=O)c1N 12711550 AWARLGLINIXOPH-UHFFFAOYSA-N 433.534 1.950 0 40 IDAB COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N)cc1S(N)(=O)=O 13134353 YWWKRUNACZEJEK-UHFFFAOYSA-N 440.532 1.107 0 40 IDAB Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@H](CO)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15968282 LPHFXVHCLFLXOK-PRHHBONVSA-N 439.899 1.604 0 40 IDAB biogenic O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)ccc21 16963398 MASHOHMNEWRNPY-HNNXBMFYSA-N 445.518 1.856 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)CC1 18321573 CORGHTSHLQPIAX-UHFFFAOYSA-N 431.514 1.374 0 40 IDAB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 19023216 WGOVXUXNBJKRQU-MCFFVMPBSA-N 448.541 1.437 0 40 IDAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 19355106 YSNFYAQYXRHVKQ-UHFFFAOYSA-N 445.472 1.230 0 40 IDAB COC(=O)[C@@]1(C)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 19460587 VFOVZBMOVLHSID-KGYLXKDPSA-N 438.436 1.545 0 40 IDAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CN(C(=O)Cn3cccnc3=O)CCO2)n1 19692720 NUIVYCNHBSAHSC-SFHVURJKSA-N 438.463 1.506 0 40 IDAB CN(Cc1ccc(OCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1)S(C)(=O)=O 22522636 QOQLDOKVOHKLRG-UHFFFAOYSA-N 428.514 1.959 0 40 IDAB O=C(CCSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)NC(=O)NCc1ccccc1 23007309 ZUQBTHPXHWSTPG-AWEZNQCLSA-N 438.531 1.555 0 40 IDAB CCCCn1c(N)c(Br)c(=O)n(CC(=O)N2CCc3ccccc3C2)c1=O 32788335 RCLXBWFCNJMMAL-UHFFFAOYSA-N 435.322 1.740 0 40 IDAB Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc2c(c1)OCO2 35655269 ZHRDVOIHGIBRFV-UHFFFAOYSA-N 447.498 1.589 0 40 IDAB CCOC(=O)C1=C(CN2CCC[C@@H]2C(=O)NCc2ccco2)NC(=O)N[C@H]1c1ccco1 36397133 KKZZSMQOEQDIOB-APWZRJJASA-N 442.472 1.825 0 40 IDAB Cc1ccccc1OC[C@@H](O)Cn1c(N2CCC[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 36662239 JLUVWMBXPDLSCJ-RDJZCZTQSA-N 441.532 1.418 0 40 IDAB Cc1n[nH]c(C)c1S(=O)(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 42381716 WNIDFQUZBSZFJP-AWEZNQCLSA-N 432.593 2.000 0 40 IDAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)n2)cc1OC 49544474 VYTVVDSDIJEJEF-SFHVURJKSA-N 437.452 1.740 0 40 IDAB COC(=O)Cn1ncc2c(N3CC[C@@H](OC)C[C@@H]3CNC(=O)OC(C)(C)C)ncnc21 96005729 PQJSUUXOHGENHB-ZIAGYGMSSA-N 434.497 1.508 0 40 IDAB CN(C)CCN1[C@H]2CCN(C(=O)c3cccn3C)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145913 MQOLLMARJDSWKW-HKUYNNGSSA-N 446.573 1.643 0 40 IDAB CN1CCN(S(C)(=O)=O)C[C@@H]1c1nnc2ccc(C(=O)NCCc3cccs3)cn12 96156597 AIOUMEVNPOPMPY-MRXNPFEDSA-N 448.574 1.011 0 40 IDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@@H](C2)N3C(=O)Cc2ccc3c(c2)OCO3)n1 100146954 JSIVHZOTRVNNRD-ROUUACIJSA-N 425.485 1.798 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)CC1 220102795 JGFAGLNSYIKZGR-UHFFFAOYSA-N 427.523 1.541 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nnc(SC)s1 225062130 HDIZQZQMFSWEGY-UHFFFAOYSA-N 430.533 1.542 0 40 IDAB Cc1ccc(OCC(=O)N[C@@H](CC(N)=O)C(=O)O)c([C@@H]2Cc3ccccc3C(=O)O2)c1 256028168 XJRXUHKHVNALRO-WMZOPIPTSA-N 426.425 1.273 0 40 IDAB Cc1ccccc1-c1cccc(C[C@H]2C(=O)N(C)CCN2C(=O)[C@@H]2CCC(=O)NC(=O)N2)c1 257219374 DGOFRBJUXFHWRD-SFTDATJTSA-N 448.523 1.862 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)COc3ccc4c(c3)CCCC4)CC[C@@H]2O)CC1 257293736 QQYYFTCMRRUMJO-GOTSBHOMSA-N 429.561 1.460 0 40 IDAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cc(Cl)c(Cl)cc1Cl 408615232 NSSUFHTUXVOYFL-UHFFFAOYSA-N 444.768 1.861 0 40 IDAB O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1N2Cc1ccccc1 575420394 HHOVPOKBRILLBN-MYGLTJDJSA-N 446.594 1.336 0 40 IDAB CC[C@H](C)N(CC(=O)CN([C@H]1CCS(=O)(=O)C1)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 575420645 DDZNBEBCVUINIO-MHORFTMASA-N 436.640 1.131 0 40 IDAB CC(=O)N1CCC(N2CC3(CN(C(=O)c4ccc(Cl)cc4)C[C@@H]4COCCN43)C2)CC1 604381942 WCENEOIAFJTSCC-OAQYLSRUSA-N 446.979 1.562 0 40 IDAB biogenic,in-vitro COCCNc1nc(CC(=O)N[C@@H](c2ccc(Cl)c(F)c2)c2nn[nH]n2)cs1 1633626399 LMSNSWCBTDJFBD-AWEZNQCLSA-N 425.877 1.955 0 40 IDAB CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2c1c(=O)n(C)c(=O)n2C 678618 BAPYMLCMXKHKAE-UHFFFAOYSA-N 433.490 1.202 0 40 IDAB COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCOCC2)cc1OC 804391 AZIQZANTUYCTMG-IBGZPJMESA-N 446.525 1.678 0 40 IDAB COc1cc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc(OC)c1OC 3174219 SLXHXASWWCJESW-UHFFFAOYSA-N 428.441 1.575 0 40 IDAB COc1ccccc1-n1cnnc1SCCCn1c(=O)c2c(ncn2C)n(C)c1=O 8746272 LQNYHGYIHBHHJZ-UHFFFAOYSA-N 427.490 1.205 0 40 IDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCCCn1c(=O)[nH]c2ccccc21 9988415 JMVNPNRVWQKCNO-UHFFFAOYSA-N 428.470 1.392 0 40 IDAB Cc1cn2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc2n1CCCO 10233353 APANNOZWOITQBO-UHFFFAOYSA-N 446.305 1.651 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2OC)cc1 10283953 XHDMLZJZRGQUPC-UHFFFAOYSA-N 447.513 1.200 0 40 IDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C 11858102 XXHSGVACXHSICA-UHFFFAOYSA-N 438.483 1.649 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)NCc1ccc2c(c1)OCO2 12236051 DXEDWVCFXCIDGM-AWEZNQCLSA-N 427.504 1.067 0 40 IDAB CCOC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 12773383 JDZADMLSNNZVIX-UHFFFAOYSA-N 427.498 1.527 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F 12886490 UBOTXQWYMZMJJP-UHFFFAOYSA-N 431.392 1.471 0 40 IDAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 12985730 SCYXJNSTSURFRK-KRWDZBQOSA-N 445.541 1.642 0 40 IDAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(c2ncccn2)CC1 13655328 QOTRULKLNWKULQ-INIZCTEOSA-N 449.964 1.880 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2=O)cc1 14137482 PWELERLJZPFVOG-HXUWFJFHSA-N 431.470 1.504 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cc(C4CC4)n[nH]3)CC1)C2=O 19700687 MGGYTSKSRTUILF-UHFFFAOYSA-N 442.564 1.936 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 20030811 ZQGISTCHSXOHKV-UHFFFAOYSA-N 443.522 1.013 0 40 IDAB COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 20460476 SUHGAOAJDNMPRF-UHFFFAOYSA-N 426.510 1.779 0 40 IDAB COc1cc2ncn(CC(=O)N3CCN(c4ccccc4OC)CC3)c(=O)c2cc1OC 20727250 HQFSAKLMNZLRCB-UHFFFAOYSA-N 438.484 1.771 0 40 IDAB Cc1nn(Cc2noc(C(=O)NCCNC(=O)Cc3ccc(F)cc3)n2)c(C)c1Cl 21454917 UCYMOOMHYZQJCF-UHFFFAOYSA-N 434.859 1.812 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)CC1 22310652 YXSQEGDPOSUECD-INIZCTEOSA-N 448.545 1.102 0 40 IDAB O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(N2CCOCC2)nc1 22701203 NHGZUOCHALYMON-UHFFFAOYSA-N 436.509 1.432 0 40 IDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nnnn2C2CC2)CC1 35325871 BLDPCZXPNHAGHE-UHFFFAOYSA-N 429.550 1.500 0 40 IDAB CCN1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)CC1 58141154 ZEZHLSZXCKUJDB-HXUWFJFHSA-N 432.471 1.895 0 40 IDAB Cc1cccc(S(=O)(=O)N2CCC3(CC2)[C@@H]2CN(c4ncccn4)C[C@@H]2C(=O)N3C)c1 96143560 IVOBGEKLLWQWAV-RBUKOAKNSA-N 441.557 1.533 0 40 IDAB Cc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCC3)N(C3CC3)C(=O)[C@H]24)no1 100436318 RDQVWFSCWYQCKD-XOKKRAPBSA-N 426.473 1.293 0 40 IDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1Cc1ccccc1CN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 104161686 AFZBOEIXLDLNRS-NVDHCXGJSA-N 436.464 1.011 0 40 IDAB CS(=O)(=O)N(CCCC(=O)NCCN1CCOCC1)c1cccc(C(F)(F)F)c1 222626057 MSMIZSAPOGHXPM-UHFFFAOYSA-N 437.484 1.700 0 40 IDAB COC(=O)c1cccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c1 224264555 YEUHLGJIXMKMFR-UHFFFAOYSA-N 442.515 1.081 0 40 IDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)C(=O)NCc1cccn1-2 225380029 ZAMMZWJJXJAYHV-UHFFFAOYSA-N 436.449 1.504 0 40 IDAB Cc1n[nH]c(SCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 226073874 HVVIMTOSWYMSDE-UHFFFAOYSA-N 427.527 1.561 0 40 IDAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]12 226650656 PNMGKNIZLDIVSS-LFWOZUSOSA-N 427.409 1.545 0 40 IDAB O=C(N[C@H]1C[C@@H](NC(=O)OCc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O)OCc1ccccc1 381048703 GIOOUAKNEMYNSA-XUJCIHGYSA-N 430.457 1.063 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 409391750 OJSIJDCPZMIMMD-ZDUSSCGKSA-N 428.507 1.172 0 40 IDAB CN1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c2cccs2)CC1 574148476 UWSVJPNADITJGG-GOSISDBHSA-N 434.587 1.534 0 40 IDAB CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC 575420621 DLBAXATXFCPLJY-KRWDZBQOSA-N 432.608 1.913 0 40 IDAB CC(=O)N1CCC(N[C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(-c3ccccc3F)n2)CC1 604382703 ZEHOACIOJWTECF-OHUMZHCVSA-N 442.535 1.784 0 40 IDAB biogenic,in-vitro O=C(CCc1cccnc1)N1CCOc2ccccc2CCCOC[C@@H](O)[C@@H](O)CC1 1615153265 DMLMRGJHHBUBAX-FCHUYYIVSA-N 428.529 1.997 0 40 IDAB COc1cc(C)c(S(=O)(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)cc1C 1888921709 ZLVZUKHAMGRDEB-CALCHBBNSA-N 442.545 1.815 0 40 IDAB COc1cccc(-n2c(O)c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c(=O)[nH]c2=O)c1 2145159 XZQUSEMXJRUMHM-MRXNPFEDSA-N 426.381 1.517 0 40 IDAB biogenic O=C(O)COCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]12 3839540 ZXUDPFDETCTUDF-YJBOKZPZSA-N 429.454 1.168 0 40 IDAB biogenic,in-vitro Cc1cc(C)nc(SCCn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)n1 4103041 QWNVYJYBUQZEPK-UHFFFAOYSA-N 429.550 1.623 0 40 IDAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCCC1 6577010 AITDWBCAVYKSFG-UHFFFAOYSA-N 426.502 1.339 0 40 IDAB aggregator O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCCC1 6577015 VEAXSRUATSGRPY-UHFFFAOYSA-N 444.492 1.478 0 40 IDAB aggregator O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(N2CCOCC2)cc1 8710778 BFYRGWJBCZPECU-HSZRJFAPSA-N 436.468 1.692 0 40 IDAB Cn1c(NCCCCO)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 8985001 GOUFLTPKSYDKEO-UHFFFAOYSA-N 426.304 1.973 0 40 IDAB CCOc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc(C(=O)OC)cc4)cnc32)cc1 9412851 MZJQTJDLKUUWJK-UHFFFAOYSA-N 448.439 1.801 0 40 IDAB COCCNC(=O)[C@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 9486689 YVYIAWMOHAULTK-FHERZECASA-N 443.541 1.178 0 40 IDAB COCCCn1cc(C(=O)N2CCN(C(C)=O)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 9663173 JQPJUSOUYZJGDY-UHFFFAOYSA-N 437.500 1.480 0 40 IDAB Cc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c(C)c1 10271929 NYOPZLDFGFZPRF-UHFFFAOYSA-N 442.479 1.908 0 40 IDAB COc1cc(NC(=O)Cc2csc(NC(=O)[C@@H]3CCC(=O)N3)n2)cc(OC)c1OC 12422908 KATXDTHIQQCVSR-LBPRGKRZSA-N 434.474 1.567 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1 12558100 DDOIFKLSQGPVAX-UHFFFAOYSA-N 433.364 1.979 0 40 IDAB C[C@@H]1CCCCN1CCCNC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 13118030 DIVFGELCRRIUFC-OAHLLOKOSA-N 431.566 1.935 0 40 IDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 14086729 CMODLELJVKPEBH-UHFFFAOYSA-N 437.504 1.329 0 40 IDAB CC(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 15934768 KEOOGBKOFCZCLI-UHFFFAOYSA-N 447.513 1.965 0 40 IDAB COc1ccccc1CN1CCc2c(O)nc([C@@H]3CCN(C(=O)Cn4cccn4)C3)nc2C1 19570676 KZHAAMWOEWJTBR-GOSISDBHSA-N 448.527 1.962 0 40 IDAB CN(C)c1ncc(-c2cncnc2)c([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 19692988 CDMKYPSSNGUWDU-SFHVURJKSA-N 426.521 1.985 0 40 IDAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 19702354 KGKUUBCXMOPLBV-LBPRGKRZSA-N 441.513 1.025 0 40 IDAB Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(CC(=O)N3CCNC3=O)CC2)n1 19756381 JFMYYUTYMPEATL-UHFFFAOYSA-N 442.495 1.618 0 40 IDAB Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(Cl)cc1 20518270 PTQNAZYSLGMNCJ-UHFFFAOYSA-N 442.907 1.433 0 40 IDAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 21198085 HPQNZDOBRHJZCZ-KRWDZBQOSA-N 428.470 1.886 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)c(OC)c1 22766241 FTADONOGKKHOEF-SFHVURJKSA-N 432.546 1.809 0 40 IDAB O=C([C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23994794 DHWMSDCWADBCEY-RTBURBONSA-N 441.553 1.524 0 40 IDAB COC(=O)c1ccccc1NC(=O)C[C@H](CN1CCCN(c2ncccn2)CC1)C(=O)O 61721597 IZRAXIVZIHNTQZ-MRXNPFEDSA-N 441.488 1.505 0 40 IDAB C[C@H](OC(=O)Cc1nn(CCO)c(=O)c2ccccc12)C(=O)N1CCCc2ccccc21 72312584 HSDXXDRSBHEUPM-INIZCTEOSA-N 435.480 1.842 0 40 IDAB Cn1cc(S(=O)(=O)N2CCc3nc(-c4ccccc4F)sc3C2)c(=O)n(C)c1=O 72392051 GPBFXDWHAXZGDD-UHFFFAOYSA-N 436.490 1.094 0 40 IDAB CS(=O)(=O)c1snnc1C1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 72392492 YDWDMSPKMAPJMA-UHFFFAOYSA-N 433.515 1.058 0 40 IDAB Cc1cc(C)nc(N2CCC(C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)CC2)n1 79491527 FZOVYNFACGRMCJ-QGZVFWFLSA-N 432.550 1.813 0 40 IDAB COc1cccc(CN(C)S(=O)(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1 96795030 OGJUKUITQRQUIO-UHFFFAOYSA-N 436.553 1.923 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C)CC(=O)c2ccco2)cc1C 97165165 UQTQLXYRUUOKNF-WBVHZDCISA-N 449.529 1.587 0 40 IDAB CCOC(=O)/C=c1/s/c(=C/c2ccsc2)c(=O)n1CC(=O)NCC1CCCCC1 105763555 GKSIROOEHDZKSM-JKQIVKDKSA-N 434.583 1.840 0 40 IDAB CCC(COC[C@H]1COC(=O)O1)(COC[C@H]1COC(=O)O1)COC[C@@H]1COC(=O)O1 145254763 INECIFOTGMOUMW-MELADBBJSA-N 434.394 1.039 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O 206641143 VNZNZKAXKKQNMN-UHFFFAOYSA-N 449.514 1.268 0 40 IDAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224333178 INRWKTPMTZNSBN-UHFFFAOYSA-N 439.541 1.977 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)N[C@@H](CN3C(=O)COC3=O)c3ccccc3)cc21 238856460 JZRHKPCOSWQHLG-AWEZNQCLSA-N 431.426 1.130 0 40 IDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1ccc(S(N)(=O)=O)cc1 524734356 VUUFRZPARXXBOD-MDKPJZGXSA-N 429.498 1.103 0 40 IDAB Cn1cc(-c2nccnc2CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cn1 575620902 WIKXRCKRMCZRJI-UHFFFAOYSA-N 426.458 1.009 0 40 IDAB Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCCN(c3ccc4nnc(C)n4n3)CC1)CS2 1775967868 FIEZTYKMECVNMB-OAHLLOKOSA-N 440.533 1.074 0 40 IDAB CC(C)C[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NCC(=O)OC(C)(C)C 1626963 FWNCCVPQFWPBAJ-INIZCTEOSA-N 431.489 1.271 0 40 IDAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CCC[C@@H]1C(=O)O 8790079 NNNPVAYTYDQJFO-NGRNXEGESA-N 431.514 1.615 0 40 IDAB biogenic Cn1c(=O)n(C)c2cc(S(=O)(=O)N(Cc3ccco3)C(=O)c3ccncc3)ccc21 9206686 UQYWZLAOIDONGF-UHFFFAOYSA-N 426.454 1.896 0 40 IDAB Cc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 9666032 JCUDMRBFMZKMIF-UHFFFAOYSA-N 436.461 1.951 0 40 IDAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)NC[C@@H]1COc2ccccc2O1 9833902 JLHCTKSDBMBRRE-CRAIPNDOSA-N 434.452 1.587 0 40 IDAB Cc1cnc2c(c1SCC(=O)NCc1ccc3c(c1)OCO3)c(=O)n(C)c(=O)n2C 10216366 GTYRSLJNURMOSA-UHFFFAOYSA-N 428.470 1.078 0 40 IDAB COc1ccccc1CNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 10219694 SJJWSMUDVBAIAS-UHFFFAOYSA-N 440.481 1.564 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(N3C(=O)CCS3(=O)=O)cc1)CC2 12006099 GYDRRBIAPHMLQK-UHFFFAOYSA-N 430.482 1.969 0 40 IDAB COc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 12444763 NPYZMLAOROPEQL-UHFFFAOYSA-N 438.937 1.625 0 40 IDAB O=C(CN1C(=O)CCOc2ccccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12776842 WBXZKYKAGWLRJI-UHFFFAOYSA-N 443.525 1.476 0 40 IDAB Cn1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cn4cccn4)cc3)CC2)c1 13005601 CVRHAGFHOWRQLD-UHFFFAOYSA-N 441.557 1.987 0 40 IDAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCN(C(C)=O)CC2)c(=O)[nH]c1=O 13112433 IJIONDYUABHSOP-UHFFFAOYSA-N 431.493 1.304 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(N3C(=O)[C@H](C)CS3(=O)=O)ccc2OC)cc1 13734561 ZHBHFVQXWSKKAT-GFCCVEGCSA-N 440.499 1.817 0 40 IDAB CCCCN(C(=O)CCN1C(=O)c2ccccc2C1=O)c1c(N)n(CCC)c(=O)[nH]c1=O 14244233 UBVZECFNAGRRRI-UHFFFAOYSA-N 441.488 1.348 0 40 IDAB Cc1cc(/C=C/C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)n1-c1ccccc1 15517047 GNNWWOWFJRVHFJ-ZHACJKMWSA-N 436.468 1.513 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15969314 SEVGYGLCWSWWEZ-NRGSMNHXSA-N 446.507 1.142 0 40 IDAB biogenic CCCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc(OC)c(OC)c3OC)CC2)C1=O 17271938 CDRCKNNCNYUHEL-UHFFFAOYSA-N 441.506 1.198 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(C(=O)Cc4cccs4)C3)[nH]c(=O)c2C1 19572687 SYOZXOCAKRCWHE-CYBMUJFWSA-N 436.559 1.098 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2c[nH]nc2C)CCO1 19703015 QRXDXEMJIMFVGC-OAHLLOKOSA-N 429.502 1.918 0 40 IDAB CCCCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)n(C)c(=O)n2C 20503758 NMHBQDOEAYPFAW-UHFFFAOYSA-N 434.541 1.288 0 40 IDAB O=C(NCCN1CCOCC1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 22628384 RBOTXTDTXPWFRH-UHFFFAOYSA-N 426.517 1.285 0 40 IDAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(S(=O)(=O)c2cccs2)CC1 23029553 OCFRLCJNSGSLRJ-LLVKDONJSA-N 428.561 1.242 0 40 IDAB COC(=O)C1=C(CN2CCN(C(=O)C3CC3)CC2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 24597539 FUXPKKLUOYBVAG-OAQYLSRUSA-N 438.528 1.897 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O[C@H](C(N)=O)c3ccccc3)C2)cc1 34890541 HRBPMHDJFSGOPA-APWZRJJASA-N 432.498 1.866 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)C(C)(C)C)n2Cc2ccc(Cl)cc2)n(C)c1=O 35291123 LVQQIKSRSRDCHD-UHFFFAOYSA-N 446.939 1.710 0 40 IDAB CCOC(=O)Cc1csc(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)n1 36386053 DXFUGTKMZFHRND-UHFFFAOYSA-N 442.607 1.400 0 40 IDAB C[C@@H]1CC(C)(C)N1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 58015414 SSJDZPBYDDGCDU-OAHLLOKOSA-N 434.562 1.926 0 40 IDAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCC(N)=O 106769770 LOURRNIQTMLGFG-YBEGLDIGSA-N 433.486 1.608 0 40 IDAB Cn1cc(CN2C[C@H]3[C@@H](C2)Oc2ncccc2S(=O)(=O)N3Cc2ccccc2)cn1 306124755 BYLGXIMLFWVFCW-RBUKOAKNSA-N 425.514 1.651 0 40 IDAB O=C(NCC1CCOCC1)C1CCN(C2=NO[C@@H]3CN(C(=O)c4ccco4)C[C@@H]23)CC1 306135895 PDZHJSUFOYJMJP-IEBWSBKVSA-N 430.505 1.319 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCN3CCOCC3)C2)cc1 408593422 NPHYGMIPELXPAJ-GOSISDBHSA-N 439.578 1.325 0 40 IDAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 408622802 RIGKXFMQSKGDGO-UHFFFAOYSA-N 433.530 1.582 0 40 IDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 681501184 NVJGCOMRBPLZCX-ZBFHGGJFSA-N 425.555 1.927 0 40 IDAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(Cc4ccc5c(c4)OCCO5)nn23)C1 1501040355 KSBRGJZOWXMINQ-CYBMUJFWSA-N 435.531 1.687 0 40 IDAB Cc1cc(CC(=O)N2CCN3C(=O)OC4(CCN(c5ccc(F)cn5)CC4)[C@H]3C2)on1 1549162884 XWBVLVCBSJIDDZ-QGZVFWFLSA-N 429.452 1.762 0 40 IDAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)CCS(C)(=O)=O)CC2 2055795785 XUJCREZMWCNKKE-UHFFFAOYSA-N 434.537 1.887 0 40 IDAB CCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2c1c(=O)n(C)c(=O)n2C 880904 MGNJBLGMVYSNRV-UHFFFAOYSA-N 444.517 1.533 0 40 IDAB CC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 3279089 YCJGIPYDDWNZFM-UHFFFAOYSA-N 447.479 1.797 0 40 IDAB Cc1ccc(-c2nc(SCC(=O)N3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 8896965 DZULRPDGCBFNAS-UHFFFAOYSA-N 425.514 1.717 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[nH]3)CCC4)CC2=O)cc1 9660407 UCQWASCFMQEZPO-AWEZNQCLSA-N 448.483 1.753 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2cccnc2)c1 9715706 BMOLSMCEKLUYCC-GOSISDBHSA-N 430.530 1.284 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1OC 11858316 AMHKTTJXZYMOKT-UHFFFAOYSA-N 426.472 1.571 0 40 IDAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C[C@H]3C(=O)NCCN3C)cc2n1 12230589 DVHRGPYCINQRHW-GJZGRUSLSA-N 438.454 1.794 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)C3[C@H]4CCCC[C@@H]34)CC2)c(-c2ccncc2)n1 12232215 KDZOBNCVHMVGMD-JJTKIYQPSA-N 429.546 1.751 0 40 IDAB O=C(CN1CCC2(CC1)OCCO2)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 12235776 ZCICDAGBBFWHDD-UHFFFAOYSA-N 430.549 1.515 0 40 IDAB CCCCN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1c(N)n(CCCC)c(=O)[nH]c1=O 12858850 FKMXNFBUGFTYDX-INIZCTEOSA-N 428.489 1.834 0 40 IDAB CN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](c1cccs1)N1[C@H]3C(=O)N(C)C(=O)[C@@H]3[C@H](c3cccs3)N21 19171751 SPHHDFIPWOIWAC-ZUISRVRFSA-N 442.522 1.105 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccccc3)[nH]c(=O)c2C1 19520395 LMUAHJFYDPVSSI-IBGZPJMESA-N 444.557 1.774 0 40 IDAB CS(=O)(=O)c1snnc1[C@H]1CCCN(Cc2cn(CC(N)=O)c3ccccc23)C1 19573279 LYFAVCLYJBZDBV-ZDUSSCGKSA-N 433.559 1.761 0 40 IDAB Cc1nc([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)ncc1C(=O)Nc1ccccc1 19765216 IGZWDBGZJMALOW-KRWDZBQOSA-N 445.545 1.794 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(CN2CCOCC2)c1 20491945 IWATUNNRAUWAAS-UHFFFAOYSA-N 445.541 1.792 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 22224460 UJXPKRQDVWSEEB-OAQYLSRUSA-N 448.401 1.968 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 35363870 OJLSSLQLXZDJDV-LCKXGBKKSA-N 433.508 1.647 0 40 IDAB biogenic COc1ccc(-c2noc(CN3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)n2)cc1 40037667 ZYNBYDOARBJXPB-UHFFFAOYSA-N 449.467 1.998 0 40 IDAB COc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C[C@H]3CCCO3)cc2c1 57640338 PWNPNADXHWJVSA-GOSISDBHSA-N 428.493 1.087 0 40 IDAB CCOC(=O)c1cnc(SCc2nnc3n(C)c(=O)c4cc(C)ccc4n23)nc1N 58131475 KYIAJQOGRWBNSY-UHFFFAOYSA-N 425.474 1.731 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)CC1 96343972 IXMNWPVGRNGLLP-GFCCVEGCSA-N 434.294 1.369 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]12 100340447 PNMGKNIZLDIVSS-CTOYSFNJSA-N 427.409 1.545 0 40 IDAB CNC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C(=C(N)S[C@H]3C2=O)C(=O)Oc2ccccc24)cc1 107166036 WOBLPFFOUXIMJB-BFYDXBDKSA-N 435.461 1.524 0 40 IDAB CCc1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)ccc1OC 224265251 NDUGIALPEAKYAX-UHFFFAOYSA-N 442.559 1.865 0 40 IDAB CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)CN(C(=O)c3ccncc3)CC2)C1 306136685 QAFPNWAMCHQPJY-HSZRJFAPSA-N 436.516 1.302 0 40 IDAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)o2)C1=O 409240417 PNTZBSABWDXBPJ-FOWTUZBSSA-N 426.429 1.656 0 40 IDAB COc1c2c(cc3c1[C@@H](CNC(=O)c1ccc4c(c1)NC(=O)CO4)N(C)CC3)OCO2 526052459 GXMBTAUXJFFSEL-OAHLLOKOSA-N 425.441 1.714 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](CO)[C@H](CCO)C3)c2)cc1 1159697328 NKRMBANLNLUNRH-SJORKVTESA-N 448.541 1.867 0 40 IDAB Cc1ccnc(SCCn2c(N3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1 2430847 JDZMJVUQIWGCKI-ZIAGYGMSSA-N 443.577 1.807 0 40 IDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1cc(=O)n2cc(Br)ccc2n1 3374366 CBQGPXLCRKCKJO-UHFFFAOYSA-N 449.261 1.365 0 40 IDAB Cc1ccc(NC(=O)CCNC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1 9033620 IXNXMPGKKJPONP-ZMIKWESLSA-N 434.489 1.836 0 40 IDAB biogenic COc1ccc2c(C)c(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1OC 9134582 METGWIPGTXJPMQ-UHFFFAOYSA-N 432.454 1.947 0 40 IDAB COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)C2=O)c1 9244878 MWAFOJKENHDGAU-HSZRJFAPSA-N 449.467 1.753 0 40 IDAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC(=O)CN1CCCC1=O 9491717 KTYDCIJBVMUKAK-UHFFFAOYSA-N 425.470 1.885 0 40 IDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](CC(=O)NCCc1c[nH]c3ccc(Cl)cc13)C(=O)N2 9576176 VUPYGSAPQYHJNJ-CYBMUJFWSA-N 429.864 1.003 0 40 IDAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 9726427 OFHNNAQDFAABHE-UHFFFAOYSA-N 448.497 1.280 0 40 IDAB Cc1cc(OCC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)no1 9951940 GQJZMXYDZHOJQQ-UHFFFAOYSA-N 429.864 1.910 0 40 IDAB COCCCNC(=O)CSC(Nc1cccc(C)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973773 VEUYQJSZVFPCDX-UHFFFAOYSA-N 434.518 1.555 0 40 IDAB Cc1cccc(N2C[C@@H](O)Cn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)c1 10103086 JJAQVLSALUYPHJ-GOSISDBHSA-N 438.532 1.204 0 40 IDAB O=S1(=O)CC[C@@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Br)s2)C1 10213763 DPHKWWOJLQPHRO-GHMZBOCLSA-N 444.394 1.867 0 40 IDAB Cc1cc(C)nc(SCCn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248511 DCVZIICKELQSAK-LBPRGKRZSA-N 429.550 1.859 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)c(OC)c1 11858112 ISEQBHUBSVMQQR-UHFFFAOYSA-N 440.499 1.880 0 40 IDAB Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCOCC1 12910470 SKCDRLPIWWXVNJ-QGZVFWFLSA-N 432.498 1.586 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@H](C)c1ccc(S(C)(=O)=O)cc1)C2=O 12932958 YMVOKXQNZBZBCF-LQZXRHCMSA-N 436.534 1.273 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(C)s3)CC2)cc1OC 13017640 FVAWTBNCUYEWHP-UHFFFAOYSA-N 426.520 1.903 0 40 IDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 13118113 VUCXOHOIENIFLQ-SFHVURJKSA-N 449.504 1.994 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccco2)cc1 13151018 MZLGTQLSLUPHCM-KRWDZBQOSA-N 449.529 1.190 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC(N)=O)c3ccccc3)CC2)cc1C 15408955 CJXLWYPVKUHFDB-LJQANCHMSA-N 430.530 1.546 0 40 IDAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCCN1CCOCC1 16428859 GFZPFRFVCQBNAY-UHFFFAOYSA-N 439.578 1.515 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCC[C@H](C)C3)CC1)CNC2=O 19496461 DTHKSNQUMAYSDV-HJPURHCSSA-N 429.517 1.827 0 40 IDAB Cc1c([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCCN(C)C)C3)C2)n2c(nc1=O)CCC2 19554731 ZXJLSXTVVZCPCA-ROUUACIJSA-N 429.565 1.004 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCN(C(=O)CCc4ccccc4)C3)[nH]c2=O)C1 19573042 VOZGFENBEQRYCE-INIZCTEOSA-N 430.530 1.036 0 40 IDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 24840830 MVFGDLKNCRKXLH-WBVHZDCISA-N 440.518 1.019 0 40 IDAB COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 25223340 BPYYJUSFUZLVHV-OWJWWREXSA-N 449.463 1.436 0 40 IDAB COc1ccc(CCNC(=O)Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 25286753 QQABGJORHMOCIO-UHFFFAOYSA-N 436.512 1.596 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1N1C(=O)C[C@@H]2CS(=O)(=O)C[C@H]21 32912722 JXYKRESUSZAOIM-CZUORRHYSA-N 428.532 1.020 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 38634529 NZJCJLLPDPIXBV-UHFFFAOYSA-N 447.560 1.555 0 40 IDAB O=S1(=O)C[C@H](N2CCN(c3ccccc3)CC2)[C@@H](S(=O)(=O)c2cccs2)C1 55408348 ZLPHJIWWWWXJLZ-IRXDYDNUSA-N 426.585 1.510 0 40 IDAB O=C(Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O)Nc1ccc(F)cc1Cl 67245851 XCQXZPSBPGQUQU-UHFFFAOYSA-N 429.857 1.300 0 40 IDAB O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NCc1nnc2n1CCCCC2 72310338 BAJBZNDQDXQSOW-UHFFFAOYSA-N 426.521 1.575 0 40 IDAB CC(C)c1cc(NC(=O)C(=O)NCC[S@](=O)Cc2ccccc2)n(-c2ncccn2)n1 95985782 CBTJHHOIGPYIRE-WJOKGBTCSA-N 440.529 1.789 0 40 IDAB COc1cccc(CN2C[C@@]34CN(C(=O)NC5CCCC5)C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 96145949 JVMYKSITJHISNX-DYXWJJEUSA-N 435.546 1.705 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]4[C@@H]3[C@@H]4C(F)(F)F)cc2)CC1 101432759 AOTLZFKNAGUPTO-GVDBMIGSSA-N 445.463 1.562 0 40 IDAB Cc1c(NC2=NN/C(=c3\ccc4c(c3)CC(=O)N=4)CS2)c(=O)n(-c2ccccc2)n1C 102871083 IBYIJNFHTCULIZ-NBVRZTHBSA-N 432.509 1.014 0 40 IDAB O=C(CCC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)NC[C@@H]1CCCN2CCCC[C@H]12 103506345 GHPGYLQPBJKRLB-PLACYPQZSA-N 440.588 1.955 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1OC 224565944 VSPBCFBMRQSLFK-UHFFFAOYSA-N 447.557 1.756 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3cc(-c4ccc(F)cc4)n(C)n3)[C@H]2O)CC1 257243599 IHSHROOSEFRNOI-SYYKKAFVSA-N 443.523 1.402 0 40 IDAB CN(C)CC(=O)N1CCCC[C@@H]1c1ccc2c(=O)n(C)c(=O)n(Cc3ccccc3)c2n1 257261544 LHUHIVDHUYEJCE-HXUWFJFHSA-N 435.528 1.759 0 40 IDAB Cc1nc2cc([C@H]3CCCN3C(=O)C3CCC3)nn2c(O)c1CCC(=O)N1CCOCC1 257270268 MTLHTNMKQBWPMT-LJQANCHMSA-N 441.532 1.998 0 40 IDAB CCn1cc(S(=O)(=O)N2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)nc1C 390830123 IWLMKZZPDMUPNO-UHFFFAOYSA-N 439.563 1.566 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](Oc3ncc(Br)cn3)C2)CC1 575614050 VSKPMXPVKDOMEK-AWEZNQCLSA-N 447.355 1.281 0 40 IDAB CC(C)CC(=O)NC[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)Cc1ccccn1)CC3 585110208 XHFXPRBCRUWFRY-GOSISDBHSA-N 437.544 1.805 0 40 IDAB COc1ccc(CCNC[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)cc1OC 585290734 WBLGBWARAKNGAJ-GGAORHGYSA-N 448.947 1.666 0 40 IDAB CN1CC2(CCN(C(=O)C3CCC3)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O 643574375 SVONAOOHQDIUBY-VQTJNVASSA-N 430.545 1.601 0 40 IDAB O=C(COc1ncnc2ccccc12)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 1848353350 ZUQZLJXCTPGPOY-SFTDATJTSA-N 432.480 1.690 0 40 IDAB CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)NCc3ccco3)c(=O)n2n1 1889013903 NAAJSAFAOZHRSG-UHFFFAOYSA-N 425.445 1.923 0 40 IDAB CCCn1c(SCC(=O)Nc2ccccc2OCC)nc2c1c(=O)n(C)c(=O)n2C 880858 IVYWQTYRQZHRQP-UHFFFAOYSA-N 431.518 1.973 0 40 IDAB CNC(=S)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 891246 KPMVQDIOTPCUBD-UHFFFAOYSA-N 432.546 1.328 0 40 IDAB CC[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C)c(I)c1 938260 FXRQCEAQFSGGTA-LBPRGKRZSA-N 431.299 1.825 0 40 IDAB COC(=O)[C@H](CC(C)C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 9513498 ZYGFPTYAJAVNNF-AWEZNQCLSA-N 435.340 1.821 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)NC(=O)N[C@@H]1C 9683194 PNMPKEIKCLHJNG-GIPWTMENSA-N 431.470 1.677 0 40 IDAB NS(=O)(=O)Cc1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 10707232 LKRLWYLJLRSCKH-UHFFFAOYSA-N 432.498 1.916 0 40 IDAB COc1cc(CNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)cc(OC)c1OC 12418751 QESRHGVQJXDMMT-UHFFFAOYSA-N 447.469 1.999 0 40 IDAB CCc1ccccc1NC(=O)CNC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 13070314 SCJKTLUPOQIGBE-UHFFFAOYSA-N 428.514 1.823 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 13573244 GCIOUAJSSPCYOF-PBQROFAYSA-N 449.507 1.619 0 40 IDAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccccn4)CC3)N2)c1 14607052 HXYQIONMXONKTG-QGZVFWFLSA-N 438.488 1.104 0 40 IDAB Cc1nn(C(=O)c2ccccc2Br)c(C)c1S(=O)(=O)N1CCOCC1 16976462 CXOOZBQTOQOGEN-UHFFFAOYSA-N 428.308 1.972 0 40 IDAB CNS(=O)(=O)c1cc(NC(=O)CSc2nnc(-c3ccoc3C)n2N)ccc1C 19315543 TZECIETUKLADSQ-UHFFFAOYSA-N 436.519 1.508 0 40 IDAB COC[C@H](O)CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19593054 PGEZECUALGOSTB-LJQANCHMSA-N 436.512 1.192 0 40 IDAB CCn1ncc(CN2CCN(C(=O)c3c(I)cnn3C)CC2)c1C 19635333 QJDDUEZQVHLHLV-UHFFFAOYSA-N 442.305 1.508 0 40 IDAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1ccc(Br)cc1Cl 22932770 IVOBEUDLKRCJAW-UHFFFAOYSA-N 429.746 1.937 0 40 IDAB Cc1c(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)[nH]c2c1C(=O)CCC2 23041391 DIFAPESUPUZRJG-UHFFFAOYSA-N 431.514 1.793 0 40 IDAB O=c1cc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2ccc(Cl)cn12 23704726 SEMJNJUDZXSELH-UHFFFAOYSA-N 436.896 1.994 0 40 IDAB O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 23797701 KQTXKUFFRISJTE-WOJBJXKFSA-N 437.452 1.287 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 32820666 YLFIDOCUEXFBLX-AWEZNQCLSA-N 446.504 1.999 0 40 IDAB Cn1c(=O)c2cc(C(=O)Nc3nc4cc5c(cc4s3)OCCCO5)cnc2n(C)c1=O 32905501 YHZSUYWWOXAEMA-UHFFFAOYSA-N 439.453 1.656 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(SCC(=O)NCCc3ccccc3)nc2)CC1 36386212 ZYNJGYACXLMQDS-UHFFFAOYSA-N 434.587 1.469 0 40 IDAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)c2)c1C 48287020 BJAQJPUPHOGPPA-MRXNPFEDSA-N 449.533 1.903 0 40 IDAB Cc1c(CCC(=O)Nc2ccc(N3CCC(O)CC3)cc2)c(=O)[nH]c2c1c(=O)[nH]n2C 48341122 BDLZDXCVKRVXBU-UHFFFAOYSA-N 425.489 1.396 0 40 IDAB CCC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1 48355347 SBQFEEFDHJALPW-UHFFFAOYSA-N 429.477 1.345 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 57478320 NGJSVHUFCSIYRR-NRFANRHFSA-N 437.500 1.693 0 40 IDAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4nccn4C)[C@@H]3CO)cc2)n(C)n1 72321511 LOVXSQNXGBFBMX-WIYYLYMNSA-N 438.488 1.175 0 40 IDAB biogenic,in-vitro CCN1CCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccc(OC)cc2O3)CC1 72327493 RUDBQLNSGWMOCE-MWTRTKDXSA-N 444.532 1.079 0 40 IDAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)Cc2ccccn2)CC1 72335892 YWNDJLVAYRCUJR-UHFFFAOYSA-N 429.546 1.824 0 40 IDAB COc1ccc(S(=O)(=O)CC(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1 72393935 SXOCETGQWGYOLB-AWEZNQCLSA-N 429.502 1.552 0 40 IDAB O=C(Cn1nnn(-c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)c1=O)NC1CC1 77100222 PLNSBJNKDUZICK-UHFFFAOYSA-N 430.827 1.752 0 40 IDAB C[C@H](NC(=O)CCc1ccc(Br)cc1F)C(=O)N1CCS(=O)(=O)CC1 78497173 RVOXGNXLCMNHBH-NSHDSACASA-N 435.315 1.283 0 40 IDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cc1csc(-c2nc[nH]n2)n1 89337228 BWQWFEGBIDNRIP-UHFFFAOYSA-N 441.517 1.404 0 40 IDAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(Cc3noc4c3CCCC4)C2)CC1 95963703 JHHLBYRYHTWEDL-UHFFFAOYSA-N 440.566 1.620 0 40 IDAB CCOC(=O)c1ccc(NC(=O)Cn2nc3c(cc2=O)CN(C(=O)OCC)CC3)cc1 96105698 HFVHSRQMWSHIFB-UHFFFAOYSA-N 428.445 1.573 0 40 IDAB CN(C)C(=O)CN1[C@H]2CCN(C(=O)C(C)(C)C)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263939 BKGYFOSMTSBXLL-HOTGVXAUSA-N 437.562 1.564 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3)C2)c1 138906572 LTOIEQHFWSMTJM-HNNXBMFYSA-N 441.440 1.379 0 40 IDAB Cc1c([C@H]2C[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)N(C)S(=O)(=O)N2)cnn1C 208531438 JLROMDGKMIGZFX-HUUCEWRRSA-N 447.439 1.845 0 40 IDAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCCn1cnc2ccsc2c1=O 225773384 BDFDISFIBFOAKK-LLVKDONJSA-N 429.527 1.357 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)cc2)cc1 408596933 VDJJVVFNSHHNME-UHFFFAOYSA-N 449.529 1.323 0 40 IDAB CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 575420478 BYGBJVLMYFQVEK-LJQANCHMSA-N 434.539 1.824 0 40 IDAB CS(=O)(=O)NCC(=O)N1CCC[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643560195 OTFFYMJWAKFZIN-NRFANRHFSA-N 437.562 1.066 0 40 IDAB Cn1c(O)ncc(C(=O)N2CC[C@H](COc3ccc(-c4cccc(F)c4)nn3)C2)c1=O 1888906291 QTMCRZBDMIEBTF-ZDUSSCGKSA-N 425.420 1.623 0 40 IDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCC1 859434 PBFURKMOUOWFGW-UYAOXDASSA-N 442.578 1.580 0 40 IDAB Cc1c(CC(=O)NCC(=O)NCC(=O)O)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 2100340 DNLVUNXHSTZTNI-UHFFFAOYSA-N 440.452 1.894 0 40 IDAB biogenic Cc1cc(OCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c2c3c(c(=O)oc2c1)CCCC3 2123542 QWMFPOQOALOHMZ-NRFANRHFSA-N 444.484 1.701 0 40 IDAB biogenic CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 4316527 XIRIMGHGVPSFRU-UHFFFAOYSA-N 428.512 1.923 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C2=O 8658507 VSVILKVTODIYLG-UHFFFAOYSA-N 426.395 1.659 0 40 IDAB O=C(OCC(=O)N1CCc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 9663765 XKANTRXUUJTMDS-UHFFFAOYSA-N 448.472 1.593 0 40 IDAB O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)NCc1ccc2c(c1)OCO2 9995999 OHAKNWIKYJIWCA-GFCCVEGCSA-N 425.488 1.184 0 40 IDAB Cc1cccc(N2C[C@H](O)Cn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)c1 10103085 JJAQVLSALUYPHJ-SFHVURJKSA-N 438.532 1.204 0 40 IDAB CNC(=O)C1CCN([C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 12334645 HQLVRWDPRGEPKC-ZDUSSCGKSA-N 428.455 1.949 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1C(N)=O 12596946 SBBKXEWXWHTJLS-UHFFFAOYSA-N 441.513 1.061 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 12804226 LZQXPEKVQAUEAK-LSDHHAIUSA-N 445.497 1.566 0 40 IDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 13495556 KEJIKVYDIZSYAG-CQSZACIVSA-N 443.481 1.379 0 40 IDAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC[C@@H]1CCCO1 13556847 KOBULAIZZHXQEQ-IIMJZQEZSA-N 431.489 1.204 0 40 IDAB CCc1c(C)nc(NC2CCN(Cc3nnnn3Cc3ccc(OC)cc3)CC2)[nH]c1=O 13564896 PEBGDGHPSZSKOR-UHFFFAOYSA-N 438.536 1.761 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2cnc(-c3ccccc3F)cc2=O)cc1 13808687 PJBNULJXFSWEMR-UHFFFAOYSA-N 444.444 1.513 0 40 IDAB CC(C)Cn1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C 13811676 VZKVPLBPHQPAAT-UHFFFAOYSA-N 428.512 1.551 0 40 IDAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 14095053 ZYFWPVOMFOMWAV-MRXNPFEDSA-N 428.580 1.836 0 40 IDAB COc1ccc([C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285469 BXNNADCYTWEYGX-AYOQOUSVSA-N 445.541 1.621 0 40 IDAB Cn1nc(CC(=O)N2CCC(n3nnc(-c4ccccc4)n3)CC2)c2ccccc2c1=O 19288475 AEUWIFHPUVTRED-UHFFFAOYSA-N 429.484 1.993 0 40 IDAB COCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 19823875 QUVDWDZYWPRPAT-UHFFFAOYSA-N 432.590 1.800 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 20744759 XBDORVPCMDEMSK-MRXNPFEDSA-N 431.489 1.712 0 40 IDAB CCCCn1c(N)c(N(CC)CC(=O)NCC(=O)Nc2cccc(C)c2C)c(=O)[nH]c1=O 21386796 ZNNNNOKLBWBJCN-UHFFFAOYSA-N 444.536 1.117 0 40 IDAB Cc1ccc(C)c(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 22228668 HEFQAPURQKZCDR-UHFFFAOYSA-N 431.514 1.579 0 40 IDAB Cc1cc2c(cc1Br)[C@H](O)[C@](CN1CCOCC1)(N1CCOCC1)CO2 22941723 JMBQVTAGEXASNE-RBUKOAKNSA-N 427.339 1.587 0 40 IDAB CCn1c(N2CCN(C(=O)COc3c(C)cccc3C)CC2)nc2c(C)nn(C)c2c1=O 28559046 FBIGKTKZNGHTAW-UHFFFAOYSA-N 438.532 1.803 0 40 IDAB COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 36351564 MESKWLXKTLBNGU-UHFFFAOYSA-N 444.985 1.881 0 40 IDAB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)NC2CC2)c2ccccc12 39556837 FVABMWADDPINGE-MFOYZWKCSA-N 426.498 1.493 0 40 IDAB COc1ccc(N2C(=O)CN(CCc3ccccc3OC)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 56998079 YWRONASVWLGKOR-UXHICEINSA-N 430.526 1.761 0 40 IDAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1cccc(NC(=O)c2ccco2)c1 58218540 OSOODBQNWGJYHG-MSOLQXFVSA-N 431.514 1.913 0 40 IDAB CCOc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)ccc1O[C@@H](C)C(=O)N(C)C 105741286 HYAIRAAJEXXHIQ-NILSIIHTSA-N 446.569 1.915 0 40 IDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1nc(-c3ccccc3)no1)O2 219400159 VDFIWZFLWXYOMD-QGZVFWFLSA-N 428.470 1.888 0 40 IDAB COC[C@@H]1O[C@@H](O[C@H](CCCCCC(C)=O)CCCCCC(=O)O)[C@@H](O)[C@H](O)[C@H]1O 253534718 IBDPEULNUMJDEE-KGNSMVPNSA-N 434.526 1.400 0 40 IDAB biogenic,in-vitro CNc1cc(N2CCC[C@@](O)(CNCc3ccc(OCCN(C)C)c(OC)c3)C2)ncn1 257228281 FTHHOYOBVMSAAW-HSZRJFAPSA-N 444.580 1.588 0 40 IDAB CC(C)NC(=O)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 585106858 JSGVHKOLGMAXBX-GCMZMWIBSA-N 435.528 1.537 0 40 IDAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)OCCCO2 585183507 YFXLEJDIQMAKCK-FQEVSTJZSA-N 438.528 1.719 0 40 IDAB Cc1cc(CC(=O)N2CCN3C(=O)OC4(CCN(c5ccc(F)cn5)CC4)[C@@H]3C2)on1 1549162883 XWBVLVCBSJIDDZ-KRWDZBQOSA-N 429.452 1.762 0 40 IDAB Cc1noc(C)c1CC(=O)N1C[C@@H]2CN(c3ccc4nnc(C(F)(F)F)n4n3)C[C@@H]2C1 1888897396 DIKNACGPUISFDS-BETUJISGSA-N 435.410 1.885 0 40 IDAB Cc1ccn(-c2ccc(N3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)nn2)n1 1889218207 QVWNGIMDTRNYSJ-UHFFFAOYSA-N 430.398 1.754 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Cn3cc(Br)cn3)C2)cc1 1889237076 OHIIHDIZECCFHD-UHFFFAOYSA-N 427.324 1.668 0 40 IDAB O=C(NC[C@H]1CCCO1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 3211100 OEIHPIFQEKJGTJ-CYBMUJFWSA-N 433.324 1.379 0 40 IDAB CCOC(=O)/C=c1\s/c(=C\c2ccccc2F)c(=O)n1CC(=O)NCc1ccco1 3411797 JNGKGCTVVHURGS-QDTGDTQYSA-N 430.457 1.131 0 40 IDAB CC(=O)CN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C 8704587 XMTOVVBQYVRXOU-ZDUSSCGKSA-N 428.880 1.944 0 40 IDAB CC1(C)Cc2c(sc(NC(=O)C(=O)N(CCO)Cc3ccccc3)c2C(N)=O)CO1 9410092 LXTHUGRHRGEGEY-UHFFFAOYSA-N 431.514 1.658 0 40 IDAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2C)cc1 9426853 FYIBQXTWHMIAQF-UHFFFAOYSA-N 433.519 1.644 0 40 IDAB COc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 9806228 YLUFDPDEGBGGSK-QGZVFWFLSA-N 431.514 1.912 0 40 IDAB Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCc2cccnc2)CS(=O)(=O)C3)c1 10250555 MZNIGGABGDROGG-UHFFFAOYSA-N 425.470 1.259 0 40 IDAB CCCn1c(=O)n(CC(=O)Nc2ccccc2OCC)c(=O)c2c1nc(C)n2CCOC 10883703 KOESQOLECLSGSP-UHFFFAOYSA-N 443.504 1.762 0 40 IDAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)CCC(=O)O)CC2)on1 12154512 RGUGLVAPCBRLAL-UHFFFAOYSA-N 429.477 1.847 0 40 IDAB Cc1nc2ccccc2nc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 12528819 OMPMUXLWXWXDDC-UHFFFAOYSA-N 442.497 1.977 0 40 IDAB C[C@H]1CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C[C@@H](C)O1 12591134 AKBLHPQDPWXGFG-CALCHBBNSA-N 446.525 1.958 0 40 IDAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 12870052 HUUGPYLALJWEOY-VIFPVBQESA-N 448.357 1.641 0 40 IDAB CCc1nn2c(=O)cc(CSc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)nc2s1 13127965 FPDDGVXNTOOQHV-SECBINFHSA-N 427.533 1.366 0 40 IDAB COCCn1nnnc1[C@@H](c1ccccc1OC)N1CCN(C(=O)c2ccco2)CC1 13504273 SXUFGCMARCIIBQ-LJQANCHMSA-N 426.477 1.469 0 40 IDAB CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 16682930 IJCLVFFEAAEQKL-UHFFFAOYSA-N 425.507 1.151 0 40 IDAB O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 18973636 CERDGNNOOIZERX-UHFFFAOYSA-N 437.547 1.812 0 40 IDAB CCN(CC)c1ncc2c(=O)[nH]c(C3CCN(C(=O)c4cnc(N)nc4C)CC3)cc2n1 19526543 VMAONGJCAQNGIB-UHFFFAOYSA-N 436.520 1.865 0 40 IDAB Cc1cccn2cc(C(=O)N3CCO[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)nc12 19747163 ISHQBXBASUNJHF-NRFANRHFSA-N 433.512 1.833 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)COC[C@@H]3CCCO3)CC2)cc1 23674080 XLVFQSOAABSZII-PMACEKPBSA-N 426.579 1.673 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1C(N)=O 28743888 QKGWFFJCKIEFAB-UHFFFAOYSA-N 443.529 1.071 0 40 IDAB O=C(OCc1cc(Cl)cc2c1OCOC2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 32669951 KZSWDKMKAQRYOM-CQSZACIVSA-N 442.877 1.415 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 32817390 JAWDFYRKFKPOEN-LJQANCHMSA-N 448.520 1.508 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(NC(=O)c3ccc(OC(F)F)cc3)c2)CCN1 32915619 GXZGRNRARRUTBN-UHFFFAOYSA-N 425.413 1.661 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(Cl)cc2C)c1=O 32958183 RRPHHPIORAASTK-UHFFFAOYSA-N 449.939 1.829 0 40 IDAB CCOC(=O)C(NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C(=O)OCC 36395839 ULHDLOOTGZTKSS-LLVKDONJSA-N 441.278 1.413 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)Nc2nccs2)CC1 56938879 NWHDXYSDOZLPEV-OAHLLOKOSA-N 438.579 1.077 0 40 IDAB CC(=O)[C@H]1CC(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)=NN1c1ccccc1 58225475 OIDNKEYNISZBRY-LJQANCHMSA-N 438.488 1.290 0 40 IDAB O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CCN(c2ccccn2)CC1 72329671 WSNBBENRVFNZNY-UHFFFAOYSA-N 445.483 1.807 0 40 IDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 85877708 WTDGQQPUGRYXCQ-QGZVFWFLSA-N 428.470 1.306 0 40 IDAB biogenic CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 96099681 SRQNGVQXMWNASF-UHFFFAOYSA-N 428.454 1.019 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)n1 96124083 HGILLWYXYCMGGN-ZDUSSCGKSA-N 442.505 1.475 0 40 IDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)c(F)c3)C(=O)[C@@H]21)Nc1ccc2c(c1)OCCO2 101169299 AFGXUIHMTQMHMH-ZWKOTPCHSA-N 443.366 1.668 0 40 IDAB O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1C(=O)NC1CC1 102129985 HYBYIMHLJHYVNK-HOTGVXAUSA-N 439.468 1.402 0 40 IDAB COC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 225375927 LGPYJMTUJLHIFC-UHFFFAOYSA-N 442.544 1.840 0 40 IDAB CC(C)(CNC(=O)Cn1cnc2c1CCCC2)CNC(=O)Cn1cnc2c1CCCC2 540882018 AYFAKOVRWQUJGO-UHFFFAOYSA-N 426.565 1.796 0 40 IDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Br)cc1)C2)NCc1cccnc1 1547200922 BHSYCHMJFMZUIV-UHFFFAOYSA-N 443.261 1.507 0 40 IDAB COc1cnc(C(=O)NC[C@@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)nc1 1614941200 WZDXAYSPBGHPML-HNNXBMFYSA-N 436.472 1.020 0 40 IDAB O=C(O)COc1ccc(-c2coc3cc(OCC(=O)O)cc(OCC(=O)O)c3c2=O)cc1 2060990633 MYABYSYAGMODFC-UHFFFAOYSA-N 444.348 1.850 0 40 IDAB COc1ccc(CCNC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)cc1OC 932439 JHWGZRCIQIYXNQ-UHFFFAOYSA-N 443.485 1.859 0 40 IDAB CC(C)CNC(=O)CN(CC(=O)NCC(C)C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 7779505 GCERYUREQGXQRJ-MRXNPFEDSA-N 426.583 1.241 0 40 IDAB COc1ccccc1-c1nc(SCC(=O)NC(C)C)c2c(=O)n(C)c(=O)n(C)c2n1 8899985 LTDGPQRSJQUITJ-UHFFFAOYSA-N 429.502 1.320 0 40 IDAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 9050850 MQMLCFXQFXGFKO-FQEVSTJZSA-N 443.521 1.644 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)N1CCN(c2ccc(F)cc2)CC1 9950554 CYHXIJBJAXGEOW-UHFFFAOYSA-N 448.520 1.121 0 40 IDAB Cn1nnnc1-c1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c1 10089870 UHHPAABJCCSVPE-UHFFFAOYSA-N 429.458 1.451 0 40 IDAB CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 10385976 ZLXDDYLSRFNSDG-AWEZNQCLSA-N 435.912 1.739 0 40 IDAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)[C@@H](CC)c3nnnn3CCOC)cc2c1 13510413 RFEGDELIJOCOHJ-FQEVSTJZSA-N 444.536 1.895 0 40 IDAB COCCCN(C(=O)C1=Cc2ccccc2OC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 18085424 QMSCSDRRGYJFOA-UHFFFAOYSA-N 428.489 1.620 0 40 IDAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 19045904 QOMRTAMECKUYSL-JOCHJYFZSA-N 438.440 1.223 0 40 IDAB O=C(c1cc([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)no1)N1CCC(O)CC1 19331079 AUMBRNQUXKSAGU-AWEZNQCLSA-N 437.493 1.979 0 40 IDAB CCc1noc(C)c1C(=O)N(CCCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 19621465 LQFBRCIAWJWXLH-UHFFFAOYSA-N 441.488 1.709 0 40 IDAB COc1ccc(OC)c(NS(=O)(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 21010289 AARLVKXDIPVDRD-ZDUSSCGKSA-N 429.520 1.678 0 40 IDAB CN1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)c2nc3ccccc3nc21 22503336 FWPJOJSBVNJVAR-UHFFFAOYSA-N 431.543 1.880 0 40 IDAB COCC(=O)Nc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)c1 23100655 DXBVSPQEQZNRJX-UHFFFAOYSA-N 433.486 1.781 0 40 IDAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc(OC)ccc2OC)c1=O 32739551 WHZGGARQGMPPEI-UHFFFAOYSA-N 445.520 1.648 0 40 IDAB Cc1csc(=O)n1CCCC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 32741803 KRZNIAHSXXRTMY-UHFFFAOYSA-N 441.531 1.431 0 40 IDAB CCN1CCN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 32921826 ZWUVSTHFULZESQ-UHFFFAOYSA-N 438.528 1.599 0 40 IDAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCCCN(C)C)C(=O)[C@H]1C2 36569646 JLADMFSCNPYYFB-QGZVFWFLSA-N 432.521 1.241 0 40 IDAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3ccc(-n4cnnn4)cc3)n2)c1 56901048 HVBHFOUGQRBENB-UHFFFAOYSA-N 433.428 1.542 0 40 IDAB CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 58014678 VGGXHACUVIEFRO-ZBFHGGJFSA-N 432.539 1.262 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCCC1 65512474 WOFYIPXBAQBZOD-CRAIPNDOSA-N 440.566 1.568 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)NCc4ccc(F)cc4F)c(=O)c3s2)CC1 67226001 BZZRUERDJZNNCQ-UHFFFAOYSA-N 448.499 1.590 0 40 IDAB CC(C)CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1 72321263 JSLJOFDHMBCUPX-TZIWHRDSSA-N 433.530 1.940 0 40 IDAB biogenic,in-vitro COc1cccc(-c2cc(C(=O)NCCn3nc(-n4nc(C)cc4C)ccc3=O)[nH]n2)c1 77196940 MKMWQBUNCSFSON-UHFFFAOYSA-N 433.472 1.875 0 40 IDAB CC(C)(C)OC(=O)NC1CCN(CC(=O)Oc2ccc(NS(C)(=O)=O)cc2)CC1 95943872 AWAAFGKHYKAGKQ-UHFFFAOYSA-N 427.523 1.953 0 40 IDAB CN1CCOc2ccc(NS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)cc2C1=O 96096736 WPAKEFMZCOPVGL-UHFFFAOYSA-N 427.482 1.787 0 40 IDAB CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)OC 102433179 CEGPBAXRSWZXAA-BORJPKMPSA-N 426.535 1.802 0 40 IDAB CN1CCN(c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 113948487 URFBNSYYQCMCIY-HXUWFJFHSA-N 430.530 1.604 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)ccc1OC 223904996 JGPCMACALGMCKK-UHFFFAOYSA-N 446.485 1.934 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 252510485 ZLVUVUBEQBKTLG-UHFFFAOYSA-N 443.533 1.154 0 40 IDAB O=C(COc1ccc(CNC[C@@]2(O)CCN(c3ccc(F)cn3)C2)cc1)N1CCOCC1 585270435 JUODSHWQGKCMLX-QHCPKHFHSA-N 444.507 1.189 0 40 IDAB CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 586823050 NGJQZRKJTKMJJQ-KACZPEKHSA-N 434.533 1.899 0 40 IDAB Cc1cc(N2CCOCC2)nc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n1 2069538947 VVMUXXRMWPEPOS-UHFFFAOYSA-N 449.441 1.405 0 40 IDAB Cc1cc(C)n(-c2cc(N3CCN(CC(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)nc(C)n2)n1 2086889357 NKICTVANRHXPIQ-QZTJIDSGSA-N 427.553 1.345 0 40 IDAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1C 4165219 DUBQOIFSALCGIN-MDZRGWNJSA-N 438.546 1.805 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](CC(C)C)NC(N)=O)CC2)cc1 8380604 YLRPZMSBWRNHBI-KRWDZBQOSA-N 426.539 1.001 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 9096282 CWRYHEGIPVIJKT-UHFFFAOYSA-N 430.479 1.656 0 40 IDAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2O1 9134249 NXODTQRMTWERNW-UHFFFAOYSA-N 434.470 1.479 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 9491111 KTVIPZXICXYDER-UHFFFAOYSA-N 433.574 1.715 0 40 IDAB COCCNC(=O)CSC(Nc1ccc(Cl)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9974004 RGPNMQKETNGZKE-UHFFFAOYSA-N 440.909 1.510 0 40 IDAB O=C(Cc1ccccc1)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1 12137506 YYKUCBGDZYJHAU-LJQANCHMSA-N 439.537 1.607 0 40 IDAB NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccccc2)c2ccc(F)cc2)c1N 12472620 RHPLMZPLPPYMMK-UHFFFAOYSA-N 427.461 1.927 0 40 IDAB CCn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccoc1C 12683235 CGXOKRFVDYFDTD-UHFFFAOYSA-N 449.558 1.965 0 40 IDAB COC(=O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 12807910 UXLQHXVWYBASAB-INIZCTEOSA-N 440.518 1.269 0 40 IDAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)ccc21 12865669 XJRIYAWWGJOZMI-ZDUSSCGKSA-N 443.481 1.208 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1 15091783 LHQVCTJJTCTUJS-UHFFFAOYSA-N 430.486 1.727 0 40 IDAB CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCC(N)=O 16688340 HARCFTPQMSJVEH-UHFFFAOYSA-N 441.937 1.583 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2)C[C@@H](C)O1 17247216 GTXJDDQTAFJMIO-BETUJISGSA-N 443.481 1.620 0 40 IDAB CCCN1CCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 19503388 DFJNEVQUULUCRG-SBUREZEXSA-N 427.549 1.493 0 40 IDAB C[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 19575430 SVWMSKTWGZIRGR-ZBFHGGJFSA-N 431.514 1.205 0 40 IDAB COC(C)(C)C(=O)N1CC[C@@H](c2ccnc3c(CN4CCC(C(N)=O)CC4)c(C)nn23)C1 19707536 KVWUIAAXSKQLOA-QGZVFWFLSA-N 442.564 1.476 0 40 IDAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3nc(CN4CCOCC4)cs3)ccc21 22701762 RXTHJVWPOQIACG-UHFFFAOYSA-N 436.559 1.940 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)CCc1c(C)nc(N3CCOCC3)[nH]c1=O)OCO2 22982363 FOUWFPVTTJFXDQ-UHFFFAOYSA-N 428.445 1.418 0 40 IDAB CCOc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1OCC 23074798 XPBHFXLAPNLKEO-UHFFFAOYSA-N 446.504 1.746 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)Nc1cc(C(C)C)no1 24634639 MHIJPKLXAQLLEZ-UHFFFAOYSA-N 435.433 1.393 0 40 IDAB C[C@@]1(NC(=O)CCC(=O)c2ccc(I)cc2)CCS(=O)(=O)C1 30998178 WFKQFOQVXCZUAL-OAHLLOKOSA-N 435.283 1.948 0 40 IDAB CC(=O)c1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1 32615452 MHRCLKZASARVIW-UHFFFAOYSA-N 429.436 1.794 0 40 IDAB CCC[C@@]1(C)NC(=O)N(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 40114093 LUNVUXVYUMYLOA-LJQANCHMSA-N 425.507 1.197 0 40 IDAB COc1cccc(C(=O)N2CCN(CCNC(=O)c3nc(O)c4ccccc4n3)CC2)c1 44916903 NYNZFDCTCVSCNT-UHFFFAOYSA-N 435.484 1.532 0 40 IDAB O=C(NC[C@@H]1CCCO1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945255 SIITVMGMRMPQQN-VQTJNVASSA-N 426.517 1.554 0 40 IDAB CCCn1c(N2CCN(Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952359 INNFKNPTNLVZTF-UHFFFAOYSA-N 434.903 1.948 0 40 IDAB O=C(c1ccccc1F)N1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 57992805 HSZURFIKLSATOT-UHFFFAOYSA-N 448.520 1.958 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)CC2=O)cc1 58310583 SXZRMSDITPBFMA-SFHVURJKSA-N 445.523 1.929 0 40 IDAB CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H]2CCCO2)sc(C(=O)OCCOC)c1C 72309170 KCTGUFLELXPBQC-LBPRGKRZSA-N 442.490 1.270 0 40 IDAB CSc1cc2c(cc1NC(=O)N1CCC(N[C@H]3CCS(=O)(=O)C3)CC1)OCCO2 95971985 XTXKAXMBRRVNDK-AWEZNQCLSA-N 441.575 1.953 0 40 IDAB CS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)cc1 96395874 QJESHHBLESZVQO-UHFFFAOYSA-N 427.490 1.316 0 40 IDAB CN1CCN(c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)CC1 113947652 SAMIIUHTXFWCDU-UHFFFAOYSA-N 449.552 1.829 0 40 IDAB COc1ccc(-c2noc(CNC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)c(OC)c1 219020849 SLQAPKSGPFVACG-GASCZTMLSA-N 440.456 1.711 0 40 IDAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 222889186 PRMLBGSARCSCOQ-QGZVFWFLSA-N 447.557 1.667 0 40 IDAB CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222895953 ZRKKGOGUCYPTBB-INIZCTEOSA-N 445.557 1.366 0 40 IDAB COc1ccccc1OCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 224189858 KBMOQPGQGNMSCE-UHFFFAOYSA-N 425.482 1.642 0 40 IDAB CCN1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 257208728 BNKGWQBOQWSFGK-WOJBJXKFSA-N 449.511 1.339 0 40 IDAB O=C(NCC1CCOCC1)C1CCN(C2=NO[C@H]3CN(C(=O)c4ccco4)C[C@H]23)CC1 306135894 PDZHJSUFOYJMJP-HKUYNNGSSA-N 430.505 1.319 0 40 IDAB NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 408529466 HWWRGENLCMXSGE-UHFFFAOYSA-N 435.477 1.729 0 40 IDAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O 408662670 XJAKNJBHLDHSON-INIZCTEOSA-N 439.468 1.987 0 40 IDAB COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 409203322 WJWQNGSJLALATD-LICLKQGHSA-N 427.388 1.909 0 40 IDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 409308980 ZWVOTOWOHTYION-XJIUQZFPSA-N 439.205 1.667 0 40 IDAB Cn1cnc(CCNC(=O)C[C@@H]2OC[C@H]3CN(Cc4ncc(C(F)(F)F)[nH]4)CC[C@@H]23)c1 1565552621 PYEPMDCUZDIQNU-BMFZPTHFSA-N 440.470 1.748 0 40 IDAB COc1ccccc1-c1ccnc(N[C@H]2CO[C@@H]3[C@@H](NC(=O)N4CCOCC4)CO[C@H]23)n1 5433956 SPJSQNTYVLIXGY-RAUXBKROSA-N 441.488 1.141 0 40 IDAB biogenic,in-vitro Cn1c(=O)c2c(SCC(=O)N3CCCCC3)nc(-c3cccc(F)c3)nc2n(C)c1=O 8902340 ZMSIVNNGKIFHEU-UHFFFAOYSA-N 443.504 1.938 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3ccccn3)CC2)C1=O 8982816 LUEHVFCBHVQXAT-HSZRJFAPSA-N 436.516 1.178 0 40 IDAB O=C(c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9575698 BNIAZMHLPVDLPO-UHFFFAOYSA-N 446.481 1.723 0 40 IDAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)c(C)n23)n(C)c1=O 9829472 STFIDSPAQVXRFW-UHFFFAOYSA-N 439.472 1.717 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)CSc1ccnc2c1c(=O)n(C)c(=O)n2C 10217050 SXUIVDHXANOUGJ-UHFFFAOYSA-N 428.470 1.540 0 40 IDAB Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCOCC1 10386672 PPRYWMFWHPOZFP-UHFFFAOYSA-N 438.527 1.672 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCCNC(=O)c2cccs2)CC1 10664813 XQOXLWIJHCFLCB-UHFFFAOYSA-N 440.547 1.396 0 40 IDAB Cc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 12445084 CQCQETMCEMCJJU-UHFFFAOYSA-N 431.558 1.950 0 40 IDAB Cn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc21 12798454 CSEXOPSIAXGTRU-UHFFFAOYSA-N 432.477 1.012 0 40 IDAB NC(=O)CC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16009748 PXGZMBIMSTYNMD-YQYRJILISA-N 436.443 1.012 0 40 IDAB Cc1ccc(N2C(=O)[C@@H]3NN=C(C(=O)CCN4C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 16038205 JIPMAJYWEQFPSK-PKOBYXMFSA-N 430.420 1.068 0 40 IDAB CCN(CC)CCN1C(=O)[C@@H]2CN(C[C@@H]3CCOC3)C[C@]2(C)NC(=O)c2ccccc21 19526394 QSWFTKBHJKEMNY-WXVUKLJWSA-N 428.577 1.832 0 40 IDAB CCOc1ccc(OCCOn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 20887707 HMJLRUKZGCAYDA-UHFFFAOYSA-N 448.501 1.359 0 40 IDAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCCN1CCOCC1 22768347 IONFVIHZLFMXSS-MRXNPFEDSA-N 440.529 1.068 0 40 IDAB COc1cc(=O)n2c(c1C(=O)N1CCC[C@H](O)C1)CCN(Cc1sccc1C)CC2 23129421 VZPZZBJFPRNKCP-INIZCTEOSA-N 431.558 1.882 0 40 IDAB O=C(c1cnn(Cc2ccccc2)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23804884 WGYDFLWRPWHFEI-UHFFFAOYSA-N 434.525 1.959 0 40 IDAB O=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc1)N1CCCC1 25777501 CLZCRVSGGJBCNR-UHFFFAOYSA-N 442.588 1.439 0 40 IDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 32738496 OTYURIFBZMDBTI-NRFANRHFSA-N 435.480 1.657 0 40 IDAB Cc1cccc(N2CCN(CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)CC2)c1C 34864570 FUSSCYSLKOGBIA-UHFFFAOYSA-N 427.549 1.407 0 40 IDAB CCN(C(=O)[C@H](C)OC(=O)C[C@H]1Sc2ccccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 34872014 YVUAYECFGVUZMW-WOSRLPQWSA-N 440.543 1.457 0 40 IDAB O=C(CCCn1nnc2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 35213209 ITEJHYOAFACITD-UHFFFAOYSA-N 435.484 1.645 0 40 IDAB O=C(Cc1ccc2c(c1)OCCCO2)NCCNS(=O)(=O)c1cccc2nonc12 36358551 VINHWNXVAZALPJ-UHFFFAOYSA-N 432.458 1.021 0 40 IDAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 40154127 SXCVHFRHOGXAJN-INIZCTEOSA-N 441.893 1.253 0 40 IDAB C[C@H](C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21)[C@@H](C)O 44963605 ASZMMNUWSMFMJO-HMCXMWFFSA-N 440.533 1.411 0 40 IDAB in-vitro CCCCN(C(=O)CN(C[C@H](O)CC)c1ccccc1)c1c(N)n(CCC)c(=O)[nH]c1=O 58175783 PBPPXSCXQUJISW-GOSISDBHSA-N 445.564 1.939 0 40 IDAB CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccco4)CC3)n2)CC1 72335883 HARXKPQCDNZKSF-UHFFFAOYSA-N 433.534 1.245 0 40 IDAB O=C1N[C@H](CC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccc21 72338791 BRYDLBSXOGWVGW-NQIIRXRSSA-N 440.525 1.830 0 40 IDAB Cn1nnc2c(N3CC(C(=O)N4CCN(c5ccc(Cl)c(Cl)c5)CC4)C3)ncnc21 96096758 VMCSUYCSLBHKQH-UHFFFAOYSA-N 447.330 1.850 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(S(=O)(=O)c2nncn2C)CC1 96099659 XMGCOXUQPWZZIC-UHFFFAOYSA-N 434.927 1.104 0 40 IDAB COc1ccc(CNC(=O)N2CCN(C(=O)NC(C)C)C[C@@]3(CC(=O)N(C)C3)C2)cc1 96143458 YCJVXXRQNHRDMJ-JOCHJYFZSA-N 431.537 1.489 0 40 IDAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@]4(O)CCOc5ccccc54)cc1c32 101449195 NDKUWWVRFZAQRT-LFPIHBKWSA-N 435.480 1.808 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(C)CC1)Cc1ccccc1 107776712 CVARBHADXMNOMD-UHFFFAOYSA-N 431.558 1.969 0 40 IDAB CS(=O)(=O)N1CC[C@@H](C(=O)NCc2nc(-c3ccccc3)no2)Oc2ccccc21 222749567 SFRVZDYPWDSUIO-KRWDZBQOSA-N 428.470 1.970 0 40 IDAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224039949 NPNCRTCLPJEREH-FFZOFVMBSA-N 441.528 1.890 0 40 IDAB O=C(CNS(=O)(=O)c1cccc(F)c1)N1CC(n2cc(COc3ccccc3)nn2)C1 225626713 FQSQIAIHTKTUEW-UHFFFAOYSA-N 445.476 1.358 0 40 IDAB NCCCOc1ccc(C(=O)N[C@H]2CCC[C@H](n3cnc4c(N)ncnc43)[C@H]2O)cc1 257213789 CJBJIJKOQWYBHA-BQFCYCMXSA-N 425.493 1.021 0 40 IDAB COc1ccc(NC(C)=O)c(NC(=O)CN2CCC[C@](C(N)=O)(c3ccccn3)C2)c1 257232594 GLOAKVHPOAAYRP-JOCHJYFZSA-N 425.489 1.506 0 40 IDAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 257261091 LFRGFEDMDKRHDF-IWLVTHKOSA-N 436.574 1.257 0 40 IDAB Cc1ccc2nc(COCC(=O)N3CC[C@@](C)(O)[C@H](n4cc(C)c(O)nc4=O)C3)[nH]c2c1 257280017 OJDLSPXQHQDFMM-VGOFRKELSA-N 441.488 1.183 0 40 IDAB CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)CN(Cc3cnn(C)c3)CC2)C1 306125733 DACYRQUVTVCOEZ-QFIPXVFZSA-N 425.537 1.000 0 40 IDAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2ccc4c(ccn4C)c2)C3)n1 306126037 DKICNWJROOAJSV-GOSISDBHSA-N 440.525 1.985 0 40 IDAB CCn1c(=O)nc(O)c2c(C(=O)NCc3nncn3-c3ccccc3)cc(C3CC3)nc21 513540641 MBEUUICKEFTNBS-UHFFFAOYSA-N 431.456 1.905 0 40 IDAB COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)CC1 518635450 MTMNJBNOPVUQAL-UHFFFAOYSA-N 425.551 1.343 0 40 IDAB CN(Cc1ncccn1)C(=O)[C@@H]1CN(Cc2cccc(OCCO)c2)CC12CCOCC2 585102005 VXSIHCJEMWKEBQ-NRFANRHFSA-N 440.544 1.735 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCC2(c3ccccc3Cl)CC2)C1 585290601 DENPYNIMIFBNJP-CTNGQTDRSA-N 436.961 1.758 0 40 IDAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1C 4165239 DUBQOIFSALCGIN-GPMSIDNRSA-N 438.546 1.805 0 40 IDAB CCOC(=O)c1nnn(-c2nonc2N)c1CSc1nnc2c(n1)[nH]c1ccccc12 8443377 SFDYLLOFQDMMIK-UHFFFAOYSA-N 438.433 1.521 0 40 IDAB Cc1noc(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9252801 RFYHSUYWFFUMSD-UHFFFAOYSA-N 449.529 1.918 0 40 IDAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccccn1 9305890 DSFJFRDYCYXQPU-OAHLLOKOSA-N 434.493 1.766 0 40 IDAB COc1ccccc1C(=O)NC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 9466364 QRBIGPYGHQWTHE-UHFFFAOYSA-N 426.834 1.109 0 40 IDAB O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 9671486 XCSLRLTVDDOEOF-UHFFFAOYSA-N 432.321 1.346 0 40 IDAB CCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OCC)c(OC)c1)C1=C(COC1=O)N2 9704875 KVDRUZVFECTRCB-INIZCTEOSA-N 427.457 1.733 0 40 IDAB O=C(CCC(=O)N1CCc2sccc2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 10922427 ZSTIRCCWUPETIM-UHFFFAOYSA-N 447.582 1.946 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)c1 12696471 SNITXHPQRITSMW-UHFFFAOYSA-N 439.497 1.617 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)CC2)cc1C 12798050 CUTQKVKNYORMFP-UHFFFAOYSA-N 442.541 1.490 0 40 IDAB NC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 12804683 FFPCSDMICVMRPS-UHFFFAOYSA-N 448.467 1.329 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1=O 13069929 CMVDLZXZDWTOHZ-LAUBAEHRSA-N 435.546 1.515 0 40 IDAB CN(C)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1Cl 13150162 QWSHVPZLTBYEKU-KBPBESRZSA-N 439.921 1.870 0 40 IDAB COc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CC(=O)O)c(=O)n(C)c3nc12 13732624 MTGRPBMBJSXGDU-UHFFFAOYSA-N 445.435 1.899 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 15742961 CGULZAWZRSUUEK-UHFFFAOYSA-N 426.498 1.071 0 40 IDAB CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(-c2ccc(C)cc2)n(C(C)C)c1=S 17051971 VNGSVSLXZFOYFJ-YUAHOQAQSA-N 436.534 1.087 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(C)cc2)cc1OC 19210507 KUXAMKIFXHZGIP-UHFFFAOYSA-N 447.557 1.982 0 40 IDAB CCc1noc(CCC(=O)N2CCC[C@@H]2c2ccc(C(=O)N3CCN(C)CC3)cn2)n1 19708686 BBCHXMPXQRBQTN-GOSISDBHSA-N 426.521 1.711 0 40 IDAB CC(C)NC(=O)CN1CCN(CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)CC1 22356568 DRUIVQMCTACSEA-UHFFFAOYSA-N 432.956 1.821 0 40 IDAB COc1ccc2cc(CN(C)C(=O)CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)ccc2c1 22824638 BCAHJQKXQCYHGM-OAQYLSRUSA-N 445.585 1.612 0 40 IDAB Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 22920149 UXTQHTFOCZTQTK-IBGZPJMESA-N 431.562 1.232 0 40 IDAB CC[C@H]1CCCCN1C(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 23077388 YHPDKGRUCNPTJT-KRWDZBQOSA-N 439.534 1.600 0 40 IDAB O=C(CNC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)NCc1ccco1 24181066 WMGDPIKJXNKMLB-UHFFFAOYSA-N 438.465 1.887 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)NC(=O)CO3)C1 24537476 LGPGIIRFYQQOKB-CYBMUJFWSA-N 434.474 1.662 0 40 IDAB Cn1c(CNC(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)nc2ccccc21 72325873 PPXFYOJXTCJKIK-XMMPIXPASA-N 446.511 1.754 0 40 IDAB CCn1cc([C@@H]2C[C@H](C(=O)Nc3cc(Cl)ccc3O)N(C)S(=O)(=O)N2)c(C)n1 72335009 RRKYNLKOYXESEC-DZGCQCFKSA-N 427.914 1.789 0 40 IDAB COCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)c4cccnc4)C3)cc(=O)[nH]2)CC1 72399227 FLEYVAQEQJWJDT-SFHVURJKSA-N 439.516 1.537 0 40 IDAB COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3cccnc3N3CCCC3)C2)cc1 89453888 MTJHXZGRIDKPKK-UHFFFAOYSA-N 431.518 1.885 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)[C@H]3C=C[C@@]21O3 100432203 GXSVIIIAPAWTCO-FJPNIYADSA-N 441.503 1.670 0 40 IDAB CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccccc3)cn12 107189467 DDGCOJDNZQAEGP-IBGZPJMESA-N 428.500 1.942 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2cccc(Cl)c2)CC1 245173990 YFHMNLMSHFLBGB-UHFFFAOYSA-N 446.982 1.776 0 40 IDAB Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C)C[C@@H]2CN(C(=O)NC(C)C)C[C@H]23)o1 306138465 RYISUCKWXJMPEC-GDBMZVCRSA-N 428.493 1.391 0 40 IDAB Cc1ccc(CN(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 408617405 CBLHGOMHAHZVLU-UHFFFAOYSA-N 431.558 1.634 0 40 IDAB O=C(c1cc(S(=O)(=O)NCCCN2C(=O)c3ccccc3C2=O)c[nH]1)N1CCCC1 510520136 XPFHZOBAVGECMM-UHFFFAOYSA-N 430.486 1.215 0 40 IDAB COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2ncc(C(F)(F)F)[nH]2)CCO3)CC1 585102208 PGWURQSYVBOBRT-LIRRHRJNSA-N 446.470 1.816 0 40 IDAB COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCC(O)CC2)c1 585262423 XMYFKCUGVHXCSH-LUKWVAJMSA-N 444.503 1.970 0 40 IDAB CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 647690862 MFACTVCDHUJBRT-UTKZUKDTSA-N 441.507 1.525 0 40 IDAB C[C@]1(c2cccc(CNC(=O)Nc3ccc(F)c(S(C)(=O)=O)c3)c2)NC(=O)NC1=O 1624844188 CGERZFPQWIUILG-LJQANCHMSA-N 434.449 1.606 0 40 IDAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)ccc12 2712246 VYUOAGXFYYGJMP-UHFFFAOYSA-N 438.436 1.989 0 40 IDAB C[C@@H](c1nnc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1)N(C)C 2726045 LZYIZAIBEFVWSH-GOEBONIOSA-N 437.591 1.628 0 40 IDAB Cc1ccc(CNC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 3317745 GORLKYFEGMHSTA-UHFFFAOYSA-N 446.525 1.798 0 40 IDAB Cc1cccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)c1 4166132 XUJGSTGUEQKYAR-HNNXBMFYSA-N 439.534 1.754 0 40 IDAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C 4411351 GPKHYEGVIIWOKA-BZUAXINKSA-N 426.558 1.543 0 40 IDAB COc1cccc(C2=NN(Cc3ccccc3)c3nc4c(c(=O)n(C)c(=O)n4C)n3C2)c1 5223552 XDCCFHQNMFRIDI-UHFFFAOYSA-N 430.468 1.867 0 40 IDAB biogenic Cc1ccccc1S(=O)(=O)N(C[C@H](O)CN1C(=O)NC(C)(C)C1=O)c1ccccc1 8732088 XSSHXNPMVXOPNE-QGZVFWFLSA-N 431.514 1.882 0 40 IDAB Cc1nn(S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1S(=O)(=O)N1CCOCC1 8754978 XPJNHPRHZYGACS-UHFFFAOYSA-N 427.548 1.881 0 40 IDAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O 9223135 QQTFSHZXAVRUII-MHECFPHRSA-N 435.480 1.899 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(N)cc1 9636251 DKGATRPIZKFMCT-UHFFFAOYSA-N 449.485 1.094 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(F)c2)[C@@H](C)O)cc1 9724089 UGQDLTBVYMXFRK-AUUYWEPGSA-N 438.477 1.652 0 40 IDAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(I)cc2)CC1 10433929 LJJXIPLMAQPHMN-UHFFFAOYSA-N 437.303 1.748 0 40 IDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 10701506 CQKYBIJBZPEGNE-UHFFFAOYSA-N 429.477 1.297 0 40 IDAB CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 12630776 XJTIXQLXFSHLBA-INIZCTEOSA-N 426.491 1.886 0 40 IDAB C[C@H]1[C@@H](c2ccccc2)OCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C 15022832 JMCAFHDDCDQCDJ-LIRRHRJNSA-N 429.498 1.388 0 40 IDAB Cc1nnc(SCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 18974734 XJKFPQVRPJZTCJ-UHFFFAOYSA-N 428.561 1.276 0 40 IDAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)CN3CCOCC3)CCO2)cc1 19692822 KXMSQSWPNIGFCN-FQEVSTJZSA-N 441.532 1.450 0 40 IDAB COc1ccc(CCNC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 20737373 QQOLCGKDWZVRMZ-UHFFFAOYSA-N 434.496 1.820 0 40 IDAB CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 22851601 QIBYDYMXVUFFOB-SFHVURJKSA-N 428.464 1.280 0 40 IDAB NS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)nc1 23866719 QSDLQCOKWHAFFX-UHFFFAOYSA-N 436.559 1.119 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)C(C)(C)C)n2Cc2ccccc2F)n(C)c1=O 35291101 HAYGDRIMFRLCSO-UHFFFAOYSA-N 430.484 1.195 0 40 IDAB CCCN1C(=O)[C@@]2(N=c3ccccc3=C(O)N2CCCN2CCOCC2)c2ccccc21 36357542 CLPNRNATXVMMGF-RUZDIDTESA-N 434.540 1.577 0 40 IDAB Cc1ccn2c(=O)cc(CS(=O)(=O)[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc2c1 40121915 SNJNVGZBXUCYAU-AWEZNQCLSA-N 443.481 1.716 0 40 IDAB O=C(NCCC(=O)N1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)o1 40122539 LEJFQSMLACNWQN-UHFFFAOYSA-N 447.513 1.400 0 40 IDAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)cnc32)c1 40478160 KSRSHCHPYOPMAO-UHFFFAOYSA-N 448.439 1.090 0 40 IDAB COC(=O)c1ccc(C(=O)N2CCC[C@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)cc1 57730265 HFXWBJPPVFIZTP-HNNXBMFYSA-N 443.485 1.334 0 40 IDAB COc1cc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)cc1OC 72293460 XZRKPQVXQBJJBH-UHFFFAOYSA-N 442.515 1.959 0 40 IDAB CCS(=O)(=O)N1CCN(Cc2nc(-c3ccc(-c4ccnc(C)n4)cc3)no2)CC1 72340138 KVSVJONJCIFFDO-UHFFFAOYSA-N 428.518 1.969 0 40 IDAB C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)NC1CCCC1 78716884 ZVNUEDVFLDRRJS-SNVBAGLBSA-N 433.324 1.946 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(-c3noc(C)n3)cn2)CC1 90558849 SUTSJYPCZDKBPC-UHFFFAOYSA-N 449.514 1.799 0 40 IDAB CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2S(=O)(=O)C(F)(F)F)cn1C 95995689 BMFAYRXCXVGREL-UHFFFAOYSA-N 439.437 1.821 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2cccs2)n(C2CC2)c1=O 96096645 GTLWJCKXKZZRBM-UHFFFAOYSA-N 425.470 1.833 0 40 IDAB CC(C)(C)CC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 96251473 SUCLERQLMBRRBA-MBSDFSHPSA-N 429.565 1.817 0 40 IDAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1 100431322 BSGYUIALRLVCSU-QNFRPBLGSA-N 437.540 1.921 0 40 IDAB COc1cc(CCC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc(OC)c1OC 101572663 OMFGARPHFLICCE-SLUIBLPYSA-N 428.485 1.568 0 40 IDAB CCOc1cccc2cc(C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)c(=O)oc12 206902913 IHZDANONVRVQNB-UHFFFAOYSA-N 447.455 1.525 0 40 IDAB COc1ccc(N([C@H](C)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC 220235194 RQZYNSSMBJJKDV-CYBMUJFWSA-N 436.486 1.903 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 223326365 ZIQVTOIELSJDOZ-UHFFFAOYSA-N 433.537 1.328 0 40 IDAB Cc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224454219 HPWFOSWUONFMGE-UHFFFAOYSA-N 440.543 1.373 0 40 IDAB CCOc1ccc(S(=O)(=O)NCCN2c3ccccc3N(C)S2(=O)=O)cc1F 245130837 VABLZPNNPNKGAE-UHFFFAOYSA-N 429.495 1.704 0 40 IDAB C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H](c5ccco5)c5sc(=O)[nH]c5S[C@H]43)[C@H]2C1=O 253618434 KZQAKQMIKBMOJN-SPSKUISNSA-N 446.506 1.976 0 40 IDAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 3323404 HAKNZSWFCODFKD-HNNXBMFYSA-N 426.491 1.324 0 40 IDAB Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C(=O)NCC(C)C 4554374 IXLUPQLFBVPISB-QGZVFWFLSA-N 427.542 1.956 0 40 IDAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)cc1 9001386 OVKNMQMYQFYRCY-UHFFFAOYSA-N 429.436 1.843 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)Nc1ccc2c(c1)OCCO2 9001605 BUEPSDIEUMWAPH-UHFFFAOYSA-N 445.435 1.411 0 40 IDAB COc1ccc(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1S(N)(=O)=O 9120638 ZDVFUDDKMJUFBP-UHFFFAOYSA-N 431.392 1.730 0 40 IDAB CC(C)c1nc(SCC(=O)N2CCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1 9382351 KDGFJERYMAFLOM-UHFFFAOYSA-N 425.514 1.832 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 9609215 VAFYITGQKLXGIM-QGZVFWFLSA-N 435.546 1.115 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c(=O)n(C)c1=O 9964027 JRTJHAJMVWQIPE-GXDHUFHOSA-N 443.456 1.834 0 40 IDAB COc1ccc(F)cc1C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 11285441 SWAUXKWUIPRTFO-UHFFFAOYSA-N 436.461 1.979 0 40 IDAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCCc1ccccc1F 11904610 OJFPYNWACZYFGK-UHFFFAOYSA-N 426.491 1.722 0 40 IDAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)c2cccs2)CC1 12133436 HVCQNEQATOOVQG-UHFFFAOYSA-N 436.559 1.798 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCNC(=O)c2ccccc2)cc1 12821158 LTLBYJAMCYAHOU-FQEVSTJZSA-N 447.557 1.934 0 40 IDAB CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 13085203 ASMXWVCLUYUFNS-OAQYLSRUSA-N 447.532 1.842 0 40 IDAB COc1ccccc1N(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(C)cc1 13566832 XTDWEFHOHLCHLK-UHFFFAOYSA-N 447.557 1.647 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 16687866 VTUAWJMIJHXGEY-UHFFFAOYSA-N 448.497 1.902 0 40 IDAB CC(C)c1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 19451695 TXBJCABFMFNACA-KRWDZBQOSA-N 445.545 1.674 0 40 IDAB CCCN1CCN(C(=O)c2n[nH]c(=O)[nH]2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19502797 DOQSHAIQZYYZTG-IBGZPJMESA-N 434.500 1.713 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccccc3F)[nH]c(=O)c2C1 19592894 HBQRMGIJHGVIPO-LJQANCHMSA-N 442.491 1.736 0 40 IDAB Cc1nc(CC(=O)N2CCC[C@@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)cs1 19764017 SACZNHUTDMPSGM-MRXNPFEDSA-N 429.546 1.971 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2cc(OC)c(OC)cc2N(CC)S(C)(=O)=O)CC1 22252136 JVCXFYVSYABBFA-UHFFFAOYSA-N 442.534 1.905 0 40 IDAB COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)NC[C@H]1COc2ccccc2O1 23223269 XDKUQCXEOZLQPQ-INIZCTEOSA-N 429.425 1.776 0 40 IDAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)OCC(=O)NCC(F)(F)F)cnc12 26487520 XHCZIWHMNZKABS-UHFFFAOYSA-N 428.392 1.845 0 40 IDAB O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@H](O)c1ccccc1 36579888 CDRUFNNWRBEJEQ-SJORKVTESA-N 425.441 1.466 0 40 IDAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)ccc21 40012309 XWKAIPUDTVLDHB-ZDUSSCGKSA-N 443.481 1.208 0 40 IDAB COC(=O)Cc1c(C(=O)OC)sc2nc(CN(C)Cc3cnc(C)s3)[nH]c(=O)c12 40149554 KXUUWAKVBVSMFZ-UHFFFAOYSA-N 436.515 1.884 0 40 IDAB O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1 41251839 PTNMAPMSSCXXJN-UHFFFAOYSA-N 444.491 1.741 0 40 IDAB Cc1cc(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)ccc1OCC(=O)O 58142301 YRULKUHLELOKDR-UHFFFAOYSA-N 440.499 1.799 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)n(C)c1 95348786 TXMYEACBJCOTBC-LJQANCHMSA-N 433.530 1.796 0 40 IDAB COC(=O)CN1CC2(CCN(C(=O)CC3CC3)CC2)COc2ccccc2S1(=O)=O 96263567 OYPCSBLXPYIHQI-UHFFFAOYSA-N 436.530 1.652 0 40 IDAB Cn1c(=O)c2c(nc3n2CCN3c2ccc(OCC(=O)c3ccccc3)cc2)n(C)c1=O 96306616 HSADFDDVDGWUQV-UHFFFAOYSA-N 431.452 1.847 0 40 IDAB COc1ccc(Cl)cc1NCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 96306694 XMLFXOOIHLQDGZ-UHFFFAOYSA-N 428.674 1.960 0 40 IDAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 223184616 VSGCYTXCNKNXDI-FQEVSTJZSA-N 449.548 1.793 0 40 IDAB CC(C)S(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)nc(O)c2C1 249687264 HJGZRHSXOCLJMA-IAGOWNOFSA-N 438.550 1.511 0 40 IDAB COCC(=O)NCc1cccc([C@H]2CN(C)C[C@@H]2C(=O)NCCc2ccc(OC)cc2)c1 257308531 TXCDYMWIRAAJEQ-PKTZIBPZSA-N 439.556 1.962 0 40 IDAB O=C(c1cccnc1)N1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O 306125816 DCYNSEVQKKRXMM-ZJSXRUAMSA-N 429.480 1.909 0 40 IDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(I)c3)C(=O)[C@@H]12 409277503 AQRCUTRPJFKMNR-VMUDFCTBSA-N 439.205 1.667 0 40 IDAB O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1C[C@@H](O)CN1CCc2ccccc2C1 501974093 AMBXSCISMAPFQU-OZXSUGGESA-N 448.567 1.992 0 40 IDAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NC[C@H]1CCS(=O)(=O)C1 524734219 KOFAQLCNPADDLU-JLTOFOAXSA-N 439.493 1.352 0 40 IDAB CCOC(=O)[C@]12CCCN(C(=O)Cc3nc(C)no3)C[C@H]1CN(c1ncc(C)cn1)C2 585108063 KGWJWYSNDHIJBD-KKSFZXQISA-N 428.493 1.327 0 40 IDAB CN1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCN(C(=O)c2nccs2)CC1 1772595379 QTTCSEJZXZSQKV-GOSISDBHSA-N 425.558 1.734 0 40 IDAB CN1C[C@@H](C(=O)N2CCCN(c3ccc4nnc(-c5cccc(F)c5)n4n3)CC2)CC1=O 1775972452 HABMRLCLBDSEPU-INIZCTEOSA-N 437.479 1.447 0 40 IDAB COc1cc(N2CCN(C(=O)C[C@H]3CSc4nc(C)c(C)c(=O)n43)CC2=O)ccn1 1776008035 ULZOFBSLNXBRSM-HNNXBMFYSA-N 429.502 1.176 0 40 IDAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)n1 8586410 XBIMBKBUEDOMLD-UHFFFAOYSA-N 436.559 1.614 0 40 IDAB CC(=O)c1cccc(NC(=O)CN2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 8852644 HJJPXPQAYDBNKN-UHFFFAOYSA-N 434.518 1.829 0 40 IDAB COc1ccc(-n2nnc3c(=O)n(CC(=O)NCCc4ccccc4)cnc32)cc1OC 8903913 PIHDNCJTSIZLCU-UHFFFAOYSA-N 434.456 1.353 0 40 IDAB CCCN(C(=O)CSc1ncccn1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8985032 HUEGBTNMGBXCLX-UHFFFAOYSA-N 426.502 1.492 0 40 IDAB O=C(O)c1ccccc1C(=O)N(CCS(=O)(=O)N1CCOCC1)Cc1ccccn1 9061181 VZTRDZWHTLWPJH-UHFFFAOYSA-N 433.486 1.084 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N(CCc2cccs2)Cc2cccs2)n(C)c1=O 9200203 FOJYHEYXPRCWKV-UHFFFAOYSA-N 443.554 1.828 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(F)cc4F)[C@H]3C2=O)cc1OC 9675692 HOVNRZDOSVQSFF-QZTJIDSGSA-N 445.382 1.914 0 40 IDAB Cc1nc(C)c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1 10143681 VOJHSSYBFBQZPD-UHFFFAOYSA-N 439.515 1.576 0 40 IDAB COc1ccc([C@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)c2c[nH]c3ccccc23)cc1 12567480 AUCOLSWBEBZEOL-KRWDZBQOSA-N 434.452 1.845 0 40 IDAB CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl 12639207 MLRGRTNLFWRIEF-UHFFFAOYSA-N 439.303 1.337 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(/C=C/C(=O)O)cc(OC)c2OC)CC1 12692957 XUZJFIBMHCENCN-AATRIKPKSA-N 428.463 1.264 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)C1CC1 12907265 HOFNEQLBVZILAS-UHFFFAOYSA-N 444.351 1.198 0 40 IDAB CCCn1c(N)c(C(=O)CSc2nc3ccccc3c3nc(C)nn23)c(=O)[nH]c1=O 13229278 JTWVDTKNLDILAO-UHFFFAOYSA-N 425.474 1.403 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1C 13990346 FWXCGYQKBVNCPV-LBPRGKRZSA-N 437.294 1.253 0 40 IDAB Cc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1S(N)(=O)=O 15817306 AGMFNNVHMZFOLO-UHFFFAOYSA-N 428.470 1.530 0 40 IDAB COC(=O)c1cc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc(C(=O)OC)c1 16039537 GKTHJSKRLPDPRW-UHFFFAOYSA-N 438.392 1.897 0 40 IDAB CNc1nc(C2CCN(CC(=O)N3CCC(C)CC3)CC2)nc2c1CN(C(C)=O)CC2 19711402 VRNRDCHNGYYIGK-UHFFFAOYSA-N 428.581 1.861 0 40 IDAB CCN(C(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 19797477 JYXHPBMFOQRPSO-OAHLLOKOSA-N 428.532 1.038 0 40 IDAB CCN1C(=O)[C@@H]2[C@H](c3ccccc3F)N[C@@](Cc3ccc(O)cc3)(C(=O)OC)[C@@H]2C1=O 20150545 DVARYMCFDJNTDD-KEXUJGGDSA-N 426.444 1.951 0 40 IDAB COc1ccccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(c3ccccc3)CC2)[C@H]1O 20463857 YFFXZPROGILHJP-ZSXJVMONSA-N 425.529 1.460 0 40 IDAB biogenic,in-vitro CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2c(c1)OCCCO2 29217978 YOJQRGJIUXUBBL-UHFFFAOYSA-N 434.470 1.878 0 40 IDAB COc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1 32101176 XNBMHFVRCLPIQP-INIZCTEOSA-N 437.905 1.867 0 40 IDAB CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)Cc3ccc4c(c3)OCO4)o2)cc1 35590082 MRIAAPXHCWVOIS-UHFFFAOYSA-N 430.442 1.897 0 40 IDAB CCS(=O)(=O)N(C)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 40094804 WQNQBNSLEUFXQQ-FQEVSTJZSA-N 431.558 1.816 0 40 IDAB CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 40158454 LYYDBXXSECSYAI-UHFFFAOYSA-N 439.582 1.282 0 40 IDAB CCCC(=O)Nc1ccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 59283534 ADEGDIQYRGCBTM-MRXNPFEDSA-N 434.518 1.207 0 40 IDAB C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1(Cl)Cl 72273427 NOADYWBKYWXTIX-INIZCTEOSA-N 448.328 1.434 0 40 IDAB CC(C)(C)c1nc(CN2CCCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)no1 78878733 ORUYQRXOWDSXID-UHFFFAOYSA-N 431.512 1.899 0 40 IDAB CCN1CCN([C@H](C)CNC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)CC1 95993678 DLADIQLVBAGXPU-OSPHWJPCSA-N 439.560 1.270 0 40 IDAB CCCCCN(C)C(=O)c1ncn2c1CN(CC(=O)NC)S(=O)(=O)c1ccccc1-2 96147498 MXBZDBABGQEBMF-UHFFFAOYSA-N 433.534 1.385 0 40 IDAB O=C(NCc1ccccn1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 96243869 QSVLVNLQXLLVIL-IBGZPJMESA-N 438.532 1.937 0 40 IDAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1 138706286 CNTCNGSFUOSYRF-KRWDZBQOSA-N 437.452 1.873 0 40 IDAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H](c2ccco2)[C@H]31 238937416 VEAZGPPZOQXRGA-ZYCMKUAMSA-N 432.479 1.587 0 40 IDAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 408593106 PCSWWESCBKMIFN-OVCLIPMQSA-N 443.387 1.829 0 40 IDAB COc1cccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 408644880 IRBSGRKFKGYJQF-UHFFFAOYSA-N 434.470 1.999 0 40 IDAB CCN1CCN(c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 2037850002 GFNOXZZPDVJBLB-NRFANRHFSA-N 444.557 1.994 0 40 IDAB NC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)sc2c1CCC2 2655879 WZVFQEONBRRPKD-UHFFFAOYSA-N 435.527 1.609 0 40 IDAB CCOC(=O)c1sc2nc(C)nc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1C 3363135 DDKHDACZNQQLTQ-LLVKDONJSA-N 443.572 1.880 0 40 IDAB COc1ccc(C(=O)NCCn2ncc3c(N4CCOCC4)nc(SC)nc32)cc1 8947140 MDBVGLZFVQGOJF-UHFFFAOYSA-N 428.518 1.823 0 40 IDAB COc1ccc(-c2cc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc2OC)cc1 12530482 AKCHIHATTUFDCH-UHFFFAOYSA-N 449.467 1.757 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)OCCN3C(=O)c4ccccc4S3(=O)=O)CC2=O)cc1 12771607 DZUATJILESRHDI-OAHLLOKOSA-N 428.466 1.736 0 40 IDAB O=S(=O)(c1ccc(N2CCN(CCCc3ccccc3)CC2)nc1)N1CCOCC1 12784989 ILFDBQBEUJEFDY-UHFFFAOYSA-N 430.574 1.857 0 40 IDAB COc1ccccc1OCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036783 GBORBZBGLXHLMB-UHFFFAOYSA-N 445.483 1.947 0 40 IDAB NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 16010353 RFKOLPRGCFYIKK-HOSCZWGSSA-N 440.459 1.640 0 40 IDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 18248985 BQAJPSUGKMRVNM-UHFFFAOYSA-N 445.328 1.224 0 40 IDAB CCS(=O)(=O)N1CCC(c2nc([C@H]3CC(=O)N(CCOC)C3)cc(N(C)C)n2)CC1 19697334 YQJWYWBMQWPMPX-INIZCTEOSA-N 439.582 1.034 0 40 IDAB COCCNC(=O)c1cc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)nc2ccccc12 19754376 IXVFCNCNKNJMHG-MRXNPFEDSA-N 434.496 1.939 0 40 IDAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(C)CC1 20080985 BULXYUHFKKZFJT-LJQANCHMSA-N 439.520 1.725 0 40 IDAB CCOc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CN1CCN(C(C)=O)CC1 22698528 AZUDKMJYHMYMPY-UHFFFAOYSA-N 442.516 1.558 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(CC(=O)Nc3cccc(F)c3)CC1)C2=O 22788823 BEIIGFGYNKQSDK-ZHRRBRCNSA-N 431.512 1.840 0 40 IDAB CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 22829854 SAMSDCZSLBIYNW-LBPRGKRZSA-N 439.515 1.569 0 40 IDAB O=C(Nc1ccc(F)cc1)c1nnc(CN2CCN(CC(=O)N3CCCC3)CC2)s1 22935052 LEIACFSBECVQFN-UHFFFAOYSA-N 432.525 1.670 0 40 IDAB O=C(COc1ccc(F)cc1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134772 DGVFLZUALIBEBY-UHFFFAOYSA-N 432.406 1.803 0 40 IDAB Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccc(Br)cc2)n(C)c1=O 23158324 IBSRBDPRLQZLOV-UHFFFAOYSA-N 448.321 1.077 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccco1 24014387 ZOLYUPOQDNSAOA-SFHVURJKSA-N 445.403 1.563 0 40 IDAB COc1ccc(OC)c(-n2cnc3cc(C(=O)N[C@@H]4CCS(=O)(=O)C4)ccc3c2=O)c1 32072346 YESHSYKJRBXJQP-CQSZACIVSA-N 443.481 1.320 0 40 IDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCc3cc(F)cc4c3OCOC4)cnc21 32916041 ZCKRWNKXCZPKMQ-UHFFFAOYSA-N 428.420 1.473 0 40 IDAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCCN(c3ncccn3)CC2)c2ccc(F)cc21 36354062 BRGRODJDSBVZCB-IBGZPJMESA-N 427.436 1.993 0 40 IDAB Cc1cc(C)n2nc(CC(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)nc2n1 40144046 DSQWZRNFNHCGSM-UHFFFAOYSA-N 425.468 1.206 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCc3nc4ccccc4[nH]3)CC2)cc1 59362866 NIITZZRDCPYPOJ-UHFFFAOYSA-N 441.557 1.537 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@H](C)C(=O)N3CCSCC3)CC1)NC2=O 72327480 UEDDKCGMRVLZGW-SPLOXXLWSA-N 433.530 1.490 0 40 IDAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)Cn2ccnc2)CC1 72335919 LVYZMQOOQGWHTO-UHFFFAOYSA-N 432.550 1.473 0 40 IDAB O=C(NCc1ccnc(N2CCCC2)c1)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96124026 WKFZLVJRXLWAKE-GOSISDBHSA-N 433.520 1.585 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219438696 OQHQEHXCINIFQR-UHFFFAOYSA-N 445.497 1.626 0 40 IDAB C[C@@]1(O)CN(C(=O)CCc2nc3ccccc3[nH]2)CC[C@H]1n1cnc2c(N)nc(N)nc21 257250708 JNSDPYMUQIENCK-SPLOXXLWSA-N 435.492 1.024 0 40 IDAB O=C1CO[C@H]2CN(CC3(O)CCN(c4ccccc4F)CC3)C[C@@H]2N1C1CCOCC1 585285243 WTHAOOLVWOGZNU-SFTDATJTSA-N 433.524 1.248 0 40 IDAB COCCn1cnc2c(N3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)ncnc21 1888930442 HASBJPBCOHCHOY-UHFFFAOYSA-N 448.413 1.256 0 40 IDAB COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccccc1 2697382 WTDSOXDVJNWKHG-VZCCSQPZSA-N 431.473 1.731 0 40 IDAB CC(=O)N1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 3256314 WOURUQRTFXQPDT-UHFFFAOYSA-N 437.543 1.643 0 40 IDAB CC(C)OCCCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 4284124 HUNLWHQDAYOPJH-IRXDYDNUSA-N 425.576 1.841 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 4386246 QBIJBYPTIJFGJP-MRXNPFEDSA-N 427.505 1.916 0 40 IDAB CC(=O)N(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)c1ccc(Oc2ccc(Cl)cc2)cc1 5760853 AWECIOWHICWSBI-OMQSBVIBSA-N 439.848 1.217 0 40 IDAB COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c1 8870926 NGIGOHKFWWBOHF-UHFFFAOYSA-N 447.513 1.809 0 40 IDAB COc1cccc(CNC(=O)C[C@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)c1 9223146 VRVNUNWXBZTQOF-GOSISDBHSA-N 448.479 1.346 0 40 IDAB COCC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 9511932 LRGRBDZMNQGCPT-UHFFFAOYSA-N 435.502 1.918 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC[C@@H]2CCCO2)cc1 9745091 OIMMMHOBHQVJNK-ROUUACIJSA-N 437.562 1.340 0 40 IDAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)CC1=O 12322195 NHCJEFQOWJPSNF-CQSZACIVSA-N 431.470 1.512 0 40 IDAB C[C@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 12813702 QUHNOSBCKUUOQN-WFASDCNBSA-N 430.910 1.037 0 40 IDAB Cc1occc1-c1nnc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1C 13130202 KNCUXEYOIOACGK-UHFFFAOYSA-N 435.531 1.482 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC 13950004 RUFVJHLORVSADF-UHFFFAOYSA-N 432.545 1.461 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)CC1 14118077 RSQGICPUKYDPMP-UHFFFAOYSA-N 435.502 1.515 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@H]([C@@H](C)O)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 16020879 BUPDNDBUWANODG-HOTVIMPFSA-N 439.443 1.136 0 40 IDAB O=c1[nH]c(NC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2c1CCCC2 19346266 WDNVEHUPMQQUSI-UHFFFAOYSA-N 446.529 1.685 0 40 IDAB C[C@H](C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C)c1n[nH]c(=O)c2ccccc12 19458050 XJQNZTTYHNHVQG-AWEZNQCLSA-N 432.484 1.620 0 40 IDAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(CC)CC3)cc2c1 19973327 SJAKSCMDWDORCP-HXUWFJFHSA-N 441.536 1.287 0 40 IDAB COc1ccccc1N1CCN([C@@H]2[C@@H](O)[C@H](NCc3ccccc3)[C@H]3CO[C@@H]2O3)CC1 20463811 KIZJPSSMQMSXRL-ZSXJVMONSA-N 425.529 1.460 0 40 IDAB biogenic,in-vitro C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCN1C(=O)c3ccccc3C1=O)C2=O 21868856 VVLIJCRJZPBREI-DMZKTXOQSA-N 427.457 1.920 0 40 IDAB Cc1cccc(OCCNC(=O)CSc2nnc(CCC(N)=O)n2Cc2ccco2)c1 22408185 ZMLFIKMGQMRZKX-UHFFFAOYSA-N 443.529 1.933 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)N3CC(=O)N4CCc5ccccc5[C@H]4C3)ccc21 36108751 BHIDABILCZRCFU-OAQYLSRUSA-N 425.510 1.726 0 40 IDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@H]1C 36416285 ZKJANBXPNILKEK-JTDSTZFVSA-N 438.546 1.948 0 40 IDAB O=C(CSc1ncccn1)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 36653451 YGMSUPWPVLINRD-UHFFFAOYSA-N 439.476 1.479 0 40 IDAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1=O 48291072 UKPJGIRIYKQSBX-GOSISDBHSA-N 436.516 1.865 0 40 IDAB CN1C(=O)CO[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@@H]1c1ccc(Cl)cc1 72241357 NYUVNWMAWSUDGE-RBUKOAKNSA-N 431.876 1.816 0 40 IDAB CCOC(=O)N1CCN(CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 72373047 NWLGXQSEVDOUIS-SFHVURJKSA-N 445.564 1.450 0 40 IDAB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](CCO)c1ccccc1 78950394 CSTZRFODDBYJMV-OAQYLSRUSA-N 447.557 1.702 0 40 IDAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 96115652 NHGHBNKVDAJCBM-QYZOEREBSA-N 434.496 1.347 0 40 IDAB biogenic COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@@H](C)c3nnc4ccccn34)C2=O)cc1 96231300 XWHYYXJRZNQHKP-YOEHRIQHSA-N 436.472 1.468 0 40 IDAB O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 96344127 LWSGDLWQHQFSBU-QGZVFWFLSA-N 447.495 1.989 0 40 IDAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CN(Cc1ccco1)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100098731 PRSZJVBRIAQRQQ-OQPMERJNSA-N 447.491 1.611 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@@H]([C@H](C)O)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 105349269 BUPDNDBUWANODG-YKQJPAJJSA-N 439.443 1.136 0 40 IDAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223492839 STTBQANJJKROJL-ZCNNSNEGSA-N 425.529 1.924 0 40 IDAB CCN(CC(=O)NCCSc1nc(C)n[nH]1)S(=O)(=O)c1ccc(OC)c(Cl)c1 226071115 WDLBPTCUOACPFO-UHFFFAOYSA-N 447.970 1.694 0 40 IDAB CC(=O)N[C@H]1CC2(CCN(C(=O)COc3cc(C)nc4ccccc34)CC2)OC[C@]1(C)O 257286263 PKYHOEAWXCHQFH-GMAHTHKFSA-N 441.528 1.959 0 40 IDAB CCCc1nc2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2cc(C)c(O)nc2=O)C1 257333732 YCVUBNWAHXXNCI-WZONZLPQSA-N 439.516 1.784 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O)C(=O)O 2124930 PSBQJFQILJUMBU-ZMZPIMSZSA-N 448.472 1.393 0 40 IDAB biogenic CCCC[C@@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2140346 SQXKNHOEEMBZKG-GOSISDBHSA-N 444.484 1.926 0 40 IDAB biogenic COc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 3376752 CGDLRHYREPXHBE-DEOSSOPVSA-N 434.496 1.737 0 40 IDAB COCCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NS(=O)(=O)c3cccc(F)c3)c(=O)n1C2 3841477 GIJWBGGPNKGPHT-LSDHHAIUSA-N 449.504 1.770 0 40 IDAB biogenic,in-vitro Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCCN3CCOCC3)cc2c1 6408147 KPCTZBBQYNNDFV-UHFFFAOYSA-N 445.633 1.797 0 40 IDAB Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1CCN(C)C 9059658 DQTCRIZKKUEQBQ-UHFFFAOYSA-N 432.887 1.860 0 40 IDAB O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCN(C(=O)c2ccco2)CC1 9477826 NYEHSNYEHXCQLX-UHFFFAOYSA-N 437.905 1.972 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)NCCn3nc(-c4ccccc4)ccc3=O)ccc21 9661010 SPLQXNMGHSEUEK-UHFFFAOYSA-N 438.509 1.798 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4OC)c(C)cn23)n(C)c1=O 9713087 NFEJRCBTYGHFPM-UHFFFAOYSA-N 431.836 1.282 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCc2ccco2)cc1 9745207 VNYWJOPUQIFDMT-QGZVFWFLSA-N 433.530 1.954 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(S(C)(=O)=O)CC1 11720162 XWUJOSBRTXOPHN-OAHLLOKOSA-N 436.361 1.852 0 40 IDAB Cc1ccc(NC(=O)CCNC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1 12447820 IXNXMPGKKJPONP-QTVCLEQKSA-N 434.489 1.836 0 40 IDAB COc1cccc([C@@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2nccn2C)c1 12628656 PWVDLYYIDNURDH-QGZVFWFLSA-N 427.486 1.132 0 40 IDAB CCc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 12865175 KGRHXJLNRLORJX-UHFFFAOYSA-N 446.573 1.746 0 40 IDAB C[C@H](C(=O)N1CCOCC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12939831 KHDHCSLPVWEPNT-CYBMUJFWSA-N 436.361 1.547 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccc(F)cc1)c(=O)n2CC(=O)N1[C@H](C)CCC[C@H]1C 13228009 SJDBVQMYIIVQOM-CHWSQXEVSA-N 440.479 1.918 0 40 IDAB Cc1ccc2c(c1)cc(C(=O)N[C@H](C)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1)n2C 19221238 NOZJPHUXWIYYOD-HZPDHXFCSA-N 447.557 1.457 0 40 IDAB Cc1ccnn1CCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 19238400 ZEINFALOLKFODH-KRWDZBQOSA-N 438.532 1.366 0 40 IDAB COc1ccc(CN2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 19555213 ROFOTPLDXVRYBM-MRXNPFEDSA-N 432.546 1.476 0 40 IDAB COC(C)(C)C(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 19693028 YKSDZRUABCOUDP-QGZVFWFLSA-N 427.505 1.633 0 40 IDAB COc1ccc(CNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(OC)c1OC 22335481 KOZJRKBTADYAAN-UHFFFAOYSA-N 426.466 1.934 0 40 IDAB Cn1c(=O)c2c(SCCN3CCOCC3)nc(-c3cccc(F)c3)nc2n(C)c1=O 22627747 BUKOZLDHEGKRFO-UHFFFAOYSA-N 431.493 1.258 0 40 IDAB C[C@@H](OC(=O)C1CCN(c2ccc(C(N)=O)cn2)CC1)C(=O)NCc1ccc(F)cc1 22867944 GGIYYQAUSROBKI-CQSZACIVSA-N 428.464 1.784 0 40 IDAB C[C@@]1(c2ccco2)NC(=O)N(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1=O 22912999 DNONKBSDTYJNLU-NRFANRHFSA-N 445.907 1.914 0 40 IDAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C[C@H](C)O1 23113491 WCBJNPWTDHKEBU-ROUUACIJSA-N 428.533 1.940 0 40 IDAB C[C@H](Sc1nnc(CCC(N)=O)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 23368613 DLWFUDSPOOLQSI-GXTWGEPZSA-N 447.517 1.723 0 40 IDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 23673745 NRMPZIIPXZNTFS-UHFFFAOYSA-N 448.907 1.396 0 40 IDAB COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)CC1 28207531 IGJIERZSHVPOEB-UHFFFAOYSA-N 447.557 1.982 0 40 IDAB O=C(C1CCC1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1 35312893 OKVFMZWDWLFXSH-UHFFFAOYSA-N 427.954 1.810 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCc3ccc4c(c3)OCCO4)c2)CC1 35351431 FGBOGDKVLKCVQJ-UHFFFAOYSA-N 445.541 1.366 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cnn(-c3ccccn3)c2C)CC1 40073928 BRPNLZCFOJBEKH-UHFFFAOYSA-N 444.517 1.717 0 40 IDAB Cc1n[nH]c(C)c1S(=O)(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 42381719 WNIDFQUZBSZFJP-CQSZACIVSA-N 432.593 2.000 0 40 IDAB Cc1cc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)on1 72301848 YRYWIPLJAYQGCB-UHFFFAOYSA-N 425.941 1.534 0 40 IDAB O=C1Cc2cc(S(=O)(=O)N3CCN(C(=O)[C@@H]4Cc5ccccc5O4)CC3)ccc2N1 78800590 DZOUZDVXIASHDX-IBGZPJMESA-N 427.482 1.018 0 40 IDAB CCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1C[C@H](OCC)C12CCCCC2 78874764 AZXRPQWAEXRIMV-IRXDYDNUSA-N 445.564 1.800 0 40 IDAB O=C(NC[C@H]1COC2(CCOCC2)O1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 95991646 LBHFFRPBLHQUEC-HOTGVXAUSA-N 426.922 1.893 0 40 IDAB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc(N3C(=O)c4cncnc4C3=O)cc2)C1 408977640 XNYYYMFDUIAACE-MRXNPFEDSA-N 435.484 1.998 0 40 IDAB O=C(COCC(=O)N[C@@H]1COc2ccc(F)cc2C1)N[C@@H]1COc2ccc(F)cc2C1 519854144 AIDYYLLTVCKETI-ROUUACIJSA-N 432.423 1.521 0 40 IDAB Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)Cn3nc(C4CC4)ccc3=O)n2)s1 575621126 VJPOWKNWMQSLMF-UHFFFAOYSA-N 426.502 1.234 0 40 IDAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)Cc2ccn(C)n2)CC1 585106520 IEHRSVAEIQGCDM-UHFFFAOYSA-N 427.553 1.585 0 40 IDAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCCN3CCOCC3)ccc21 643583957 QDNLWTMVPPMOHW-UHFFFAOYSA-N 446.592 1.782 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N(C)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 1565523076 FKCKTLZBHKNVFY-UHFFFAOYSA-N 432.554 1.281 0 40 IDAB O=C([C@H]1C[C@@H](NC2CCOCC2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O)N1CCOCC1 2332241788 HUPVKNYHWFVKBA-YVNJGZBMSA-N 440.544 1.537 0 40 IDAB O=S(=O)(c1ccc(OC[C@H](O)CNCc2ccco2)c(Cl)c1)N1CCOCC1 3293461 WGZVLJQLIGVFHQ-CQSZACIVSA-N 430.910 1.483 0 40 IDAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCc1nnc2ccccn12 9129652 NOYZCXMIXVJOFP-KRWDZBQOSA-N 447.586 1.797 0 40 IDAB C[C@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl 9160574 CPUUMRXJYKHHTG-SNVBAGLBSA-N 426.304 1.972 0 40 IDAB O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)NCc1ccc2c(c1)OCO2 9995998 OHAKNWIKYJIWCA-LBPRGKRZSA-N 425.488 1.184 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 10109546 XTCMHNXMNXENPY-HNNXBMFYSA-N 437.543 1.726 0 40 IDAB CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2)CC1 10385150 FXMCIPWISBRPHE-OAHLLOKOSA-N 447.923 1.753 0 40 IDAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 12142070 XNDYVPZCVSGXHZ-CQSZACIVSA-N 443.481 1.724 0 40 IDAB CCCn1c(=O)n(C[C@H](O)COc2ccc(CC)cc2)c(=O)c2c1nc(C)n2CCOC 12805306 BRADEPFQDWORSS-SFHVURJKSA-N 444.532 1.727 0 40 IDAB CC(C)CCNC(=O)CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13689044 SOKXBLZBRSUWNA-UHFFFAOYSA-N 425.493 1.460 0 40 IDAB NC(=O)Cn1c(CSc2nnc(Cc3ccccc3F)n2N)nc2ccccc2c1=O 14074851 WWXJTFDMWLQOKO-UHFFFAOYSA-N 439.476 1.209 0 40 IDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 16046440 OYAOJPIBFAQLHD-IBGZPJMESA-N 441.509 1.817 0 40 IDAB CCCN1C(=O)N[C@@H](CCC(=O)N2CCC[C@H](c3c(C)c(=O)nc4n3CCC4)C2)C1=O 19502561 DMPHIRCBRFGVHB-HOTGVXAUSA-N 429.521 1.315 0 40 IDAB Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3cccnc3C)CC2)c(-c2ccccn2)n1 19582918 LBONZLBGDCGHEL-UHFFFAOYSA-N 438.513 1.697 0 40 IDAB COc1ccc(-n2c(=O)c([C@@H]3NCCc4cc(OC)c(OC)cc43)c(O)n(C)c2=O)cc1 20757652 LEIRNUNADBUYOW-HXUWFJFHSA-N 439.468 1.503 0 40 IDAB biogenic O=C(Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1F)c1ccc(F)cc1 23511077 YWXOOFLARRMHTM-UHFFFAOYSA-N 425.457 1.828 0 40 IDAB Cn1c(=O)c2ccc(C(=O)/N=c3/sccn3Cc3ccccc3F)nc2n(C)c1=O 32412114 HNOHTFQWTQLULS-FCDQGJHFSA-N 425.445 1.424 0 40 IDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(C(=O)c2ccccc2Cl)CC1 32722394 IMASYWYOXIXNFR-UHFFFAOYSA-N 432.908 1.879 0 40 IDAB Cc1nc(C(=O)N2CCN(CCNC(=O)c3ccco3)CC2)nn1-c1ccc(F)cc1 32760450 QUDWANDRRLLGMQ-UHFFFAOYSA-N 426.452 1.496 0 40 IDAB C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 40062162 HYIBAHMJFAFRAA-NSHDSACASA-N 432.340 1.108 0 40 IDAB O=C(NCCN1CCN(c2ccccc2F)CC1)C(=O)Nc1ccc2c(c1)OCCO2 56997983 BTKODXITKSPCDT-UHFFFAOYSA-N 428.464 1.474 0 40 IDAB O=C(Cn1c(-c2ncccn2)noc1=O)Nc1ccccc1C(=O)NCc1ccccc1 69920876 OFFZPATVAXUEGI-UHFFFAOYSA-N 430.424 1.862 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc([S@@](C)=O)c(F)c3)C2=O)cc1 78879240 ZMICVCUDUSFFLV-KEEVHDRGSA-N 433.461 1.977 0 40 IDAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 95351893 OHKANMLNAYSUMQ-BMGDILEWSA-N 431.514 1.749 0 40 IDAB CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCCc4ccccn4)cn23)C1 96156768 LDJJCUPYNAROFE-GOSISDBHSA-N 436.520 1.067 0 40 IDAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 229802104 KXOOYMPHUPMNSA-UJKGCTCZSA-N 449.799 1.304 0 40 IDAB CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C 245229907 IFAWXFBHEBGLFS-TTYPXMTQSA-N 425.529 1.777 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)CC2)Nc2ncccc21 247715272 MXHWJGWXGCXEAJ-FNVCAUGXSA-N 441.532 1.099 0 40 IDAB CN1c2ccc(NC(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)cc2N(C)S1(=O)=O 390826436 KZFMRFMVQHCIKO-LBPRGKRZSA-N 447.542 1.538 0 40 IDAB O=C(NCc1ccc(F)cc1)c1nnc2n1CCN1CCN(C(=O)C3(F)CCC3)C[C@@H]21 585109944 RHNVJVIKQVDHOT-INIZCTEOSA-N 430.459 1.438 0 40 IDAB COc1ccc(CN(C)[C@H]2[C@H](NC(=O)CN(C)C)C[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 585262274 QATKRCDRFVKLBC-HTDNTCHWSA-N 445.535 1.893 0 40 IDAB C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)COc1ccccc1)CC2 643564958 PFHLBZKQHZPPTC-IBGZPJMESA-N 445.560 1.886 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(C(=O)c1ccccn1)C2 1549167337 OCYMNAYNXYJYJD-NRFANRHFSA-N 448.523 1.783 0 40 IDAB COc1ccc(-n2nnnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1OC 932364 FSQAOFKBBMQWCC-UHFFFAOYSA-N 429.458 1.817 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)CN(C(C)C)C(C)C)C2)cnn1C 6921753 GQHVSQUGHNTAPE-WMZOPIPTSA-N 427.615 1.753 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)N1CCCc2ccccc21 9001005 RKRZNAVXLSWKHT-UHFFFAOYSA-N 427.464 1.981 0 40 IDAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1c(C)cc(C)[nH]c1=O 9154534 IOYPGBXSJAWJLL-INIZCTEOSA-N 441.550 1.847 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N1CCN(C(=O)c2ccco2)CC1 9494939 BRKUMIRINDJMKF-OAQYLSRUSA-N 442.497 1.409 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(-c2nn[nH]n2)c1 9595648 MWAXOGSAMLYSFJ-UHFFFAOYSA-N 428.474 1.448 0 40 IDAB CN(C)CCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21 11613400 HXWVEKUYZBUXLI-CQSZACIVSA-N 432.937 1.950 0 40 IDAB COc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1OC 11796036 ZRCNPRBKLCJIGP-UHFFFAOYSA-N 447.557 1.976 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)Nc3ncc(C)s3)CC1)O2 12087105 SBDAUNAWCXQXAO-OAQYLSRUSA-N 444.513 1.972 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C)c(F)c3)cc2)CC1 12488027 UYMINTYJKFBNQV-UHFFFAOYSA-N 433.505 1.917 0 40 IDAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12813779 IZYFOVAMXARCNT-YNEHKIRRSA-N 430.910 1.036 0 40 IDAB COCCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)cc(Br)c1OC 12984826 TZFVFRSALYYKRR-UHFFFAOYSA-N 429.720 1.494 0 40 IDAB COc1ccc(OCCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)cc1 13371233 ZNRVHPLJNZSEDS-HOTGVXAUSA-N 431.557 1.365 0 40 IDAB O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1nccs1 13655384 YFJAXAOLXHNWBJ-UHFFFAOYSA-N 426.495 1.438 0 40 IDAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CN(C)C(N)=O)ccc2OC)cc1 15704812 BKWWJBGGUAMMIY-UHFFFAOYSA-N 436.490 1.844 0 40 IDAB Cc1cc(NC(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)no1 17025652 IGZSEHHOHHUKTL-UHFFFAOYSA-N 439.457 1.262 0 40 IDAB CC(C)[C@]1(C)NC(c2nc3ccccc3cc2C(=O)N[C@@H]2CCS(=O)(=O)C2)=NC1=O 20649679 LOVSGJPAYASHOD-SZNDQCEHSA-N 428.514 1.443 0 40 IDAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3cc(=O)n4ccsc4n3)CC1)C2=O 22796763 STWAZPKXIFKVEL-BTYIYWSLSA-N 444.561 1.332 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1OC 23107313 AKBPKUZKBHIBFV-GOSISDBHSA-N 431.464 1.971 0 40 IDAB O=S1(=O)CC[C@@H](S(=O)(=O)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)C1 31772878 YLFXTBAYFKLVRW-QGZVFWFLSA-N 435.589 1.649 0 40 IDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)CNC(=O)c2ccc(C)s2)n1 32910066 BLAQKBPJCLZQDS-UHFFFAOYSA-N 442.501 1.869 0 40 IDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 32983268 PDXXJEONIXCTIY-HXUWFJFHSA-N 444.509 1.523 0 40 IDAB Cc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 35363874 BDRXNLLNSXNAAR-ZCEGFOITSA-N 449.463 1.025 0 40 IDAB biogenic CC[C@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 36228993 RMXBDFAGPSILAI-JSGCOSHPSA-N 432.926 1.869 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCC(C(N)=O)CC2)cc1Cl 39986292 IWRFEPIPBJBTSV-UHFFFAOYSA-N 431.942 1.473 0 40 IDAB CN(C)S(=O)(=O)N1CCN(Cn2nc(-c3cccc4ccccc34)ccc2=O)CC1 79488901 IIPXVMBPWMLDKM-UHFFFAOYSA-N 427.530 1.445 0 40 IDAB CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NCCc4ccccc4)cn23)C1 96156749 XKUBQXLWNGJSRB-IBGZPJMESA-N 435.532 1.672 0 40 IDAB O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NCCCc1nnc2ccccn12 96223759 QYHLOFSETYNNEK-KRWDZBQOSA-N 438.463 1.818 0 40 IDAB O=C(N[C@@H]1CCC[C@@H](n2ccc(O)nc2=O)[C@@H]1O)c1ccc(OCCN2CCCC2)cc1 257266234 MCBXPSJFXROYHC-SFHLNBCPSA-N 442.516 1.308 0 40 IDAB Cc1ncsc1CN1CC[C@@]2(C1)Cn1c(nn(CC3CCCCC3)c(=O)c1=O)CO2 306144708 ZMQFAHGJANNHDT-OAQYLSRUSA-N 431.562 1.925 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408670916 XRFRRIDHIGFSOI-GTZSGAPKSA-N 442.468 1.765 0 40 IDAB Cc1nnc2n[nH]c(NC(=O)[C@H]3[C@@H]4C(=O)N(CC(F)(F)F)C(=O)[C@@H]4C=C[C@H]3C)c2c1C 1140401207 HTROFTQCQJFMAB-GDECHXLSSA-N 436.394 1.894 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)c5cc(C(C)(C)C)n[nH]5)C[C@@H]4C3)ncnc21 1888920856 ZDVSQCUUPFGWLD-GJZGRUSLSA-N 438.536 1.702 0 40 IDAB Nc1c(Br)cc(S(=O)(=O)N(C[C@H]2CO2)C[C@H]2CO2)cc1Br 864236 WNHUKSCLSZCIGE-YUMQZZPRSA-N 442.129 1.582 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 2641308 JFDRIDDQYRCOAI-UHFFFAOYSA-N 440.543 1.237 0 40 IDAB O=C(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCS(=O)(=O)C1 9390417 JSLZGCCVZFABGE-GFCCVEGCSA-N 445.906 1.329 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)c(C)n23)n(C)c1=O 9829508 FVCSIDLKIVCGDL-UHFFFAOYSA-N 429.864 1.890 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(/C=C/C(=O)O)cc1 12907797 ASDRZOVRJZCORG-BJMVGYQFSA-N 436.511 1.786 0 40 IDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1C 13137968 JXLWOIHYOVLNSX-HNNXBMFYSA-N 442.534 1.637 0 40 IDAB COc1ccccc1CNC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 13554565 YXGJMEQDANLPBV-GOEBONIOSA-N 439.468 1.598 0 40 IDAB COc1cc2c(cc1OC)CN(CC(=O)N1CCC(C(=O)c3cn(C)nc3N)CC1)CC2 19290247 AORMQCCZADZZOE-UHFFFAOYSA-N 441.532 1.499 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)cc1F 19559635 KDNMLCZJYPSNFW-AWEZNQCLSA-N 432.481 1.984 0 40 IDAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)S(=O)(=O)N(C)C)n1 19701011 RDKUXUXAMOSBGW-ZDUSSCGKSA-N 436.513 1.416 0 40 IDAB CN1C[C@@H](NS(=O)(=O)c2cccc3cccnc23)C[C@H]1c1nc(-c2cncnc2)no1 20464454 OOVRBGAHRKCITL-HOTGVXAUSA-N 437.485 1.799 0 40 IDAB biogenic,in-vitro COc1cc(NC(=O)Cn2nc(-c3cc(C)oc3C)cc(N)c2=O)ccc1-n1cnnn1 57744276 GLFITPOMAHCYIX-UHFFFAOYSA-N 436.432 1.325 0 40 IDAB COC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204941 RGSOPUIESTXTAJ-IBGZPJMESA-N 442.447 1.658 0 40 IDAB Cn1c(CN2CCC([C@@H]3CCCCCN3C(=O)C3CCOCC3)CC2)cc(=O)n(C)c1=O 69966794 YBFNUIWBBNNRLW-NRFANRHFSA-N 446.592 1.494 0 40 IDAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2N)cc1 71772072 JWHAWDBMLHBHRA-UHFFFAOYSA-N 443.485 1.456 0 40 IDAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)Cn2cccnc2=O)C1 72352181 HPQUFJDQCRUIKM-HNNXBMFYSA-N 440.525 1.850 0 40 IDAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CCO)c2ccccc2)c1 89661626 SLSWFFOITLMDST-GOSISDBHSA-N 433.530 1.942 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1C 96121998 MKVHNMNNWAIZIB-UHFFFAOYSA-N 444.619 1.870 0 40 IDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2coc3ccccc3c2=O)o1 96221096 PMZKCDHFZMRKCE-INIZCTEOSA-N 441.436 1.979 0 40 IDAB biogenic Cc1cccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)c1 96225919 RIDAVRGDRVWMPR-OAQYLSRUSA-N 428.514 1.958 0 40 IDAB COC(=O)[C@@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 100186420 ZDWOERGMCZMBSD-LYHRCORUSA-N 430.501 1.409 0 40 IDAB CS(=O)(=O)c1ccc(CCC(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc1 225619874 BIBAJERROJSCHR-UHFFFAOYSA-N 428.576 1.343 0 40 IDAB CN1CCN(CCNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3cccnc3N2)CC1 253596525 SDDDCBPFOZNGQF-TYTAMAGNSA-N 426.565 1.123 0 40 IDAB CCCN1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257212772 CEXJIWMALKFTOT-FQEVSTJZSA-N 449.511 1.292 0 40 IDAB CC(=O)Nc1ccc(NC(=O)CN2[C@H](C(=O)O)C[C@H](NC(C)=O)[C@@H]2c2ccccc2)cc1 257341503 ZKPMTZWRJJDKFK-ONTIZHBOSA-N 438.484 1.988 0 40 IDAB O=c1c(=O)n2c(nn1Cc1ccccn1)[C@]1(CCN(Cc3ccc4c(c3)OCO4)C1)CC2 306128559 HEESMBOZWTYCTN-HSZRJFAPSA-N 433.468 1.124 0 40 IDAB COC(=O)c1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc(C(=O)OC)c1 408630247 QFICCPPLHJTORE-UHFFFAOYSA-N 449.485 1.511 0 40 IDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 617976390 YSFVRINHZHYRIZ-ZWKOTPCHSA-N 437.562 1.234 0 40 IDAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC3CCC(F)(F)CC3)[C@@H](O)[C@H]2O1)NCc1cccnc1 952844761 XJKPHXGKDBBTRV-PNDFQMOFSA-N 425.476 1.541 0 40 IDAB biogenic,in-vitro O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1cnccn1 8708608 SMVTWCPKXDFBKA-UHFFFAOYSA-N 431.518 1.740 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1cc2c(s1)CCC2 8748603 YSHPORJTLZLNAU-AWEZNQCLSA-N 440.568 1.955 0 40 IDAB O=C(NCCCn1ccnc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9060290 QDSJOWQQDIYOIH-AWEZNQCLSA-N 434.547 1.495 0 40 IDAB CCOC(=O)N1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)CC1 9416524 DXNLORDZDMNJKF-UHFFFAOYSA-N 438.488 1.500 0 40 IDAB CN(C(=O)CCN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)[C@H]1CCS(=O)(=O)C1 9430265 HWDWJIAVOHSXBA-GWQWUEFDSA-N 426.491 1.898 0 40 IDAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NCc2nc3ccccc3n2C)cc1 9548957 OAXYCVYWAHQQFD-UHFFFAOYSA-N 436.501 1.758 0 40 IDAB COc1cc2c(cc1OC)CN(Cn1cc(S(=O)(=O)N3CCCC3)ccc1=O)CC2 9583611 QGBHOMGHHKZIRA-UHFFFAOYSA-N 433.530 1.666 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 10112109 XAMWBUWCVWIAFG-UHFFFAOYSA-N 437.543 1.513 0 40 IDAB COc1cc(OC)c2c(C)c(CC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2c1 11865445 CSWVPVSTVNJBQA-LJQANCHMSA-N 434.445 1.003 0 40 IDAB biogenic COc1ccc([C@@H]2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)N(C)S(=O)(=O)N2)cc1 12159577 CWGLIMRGZKHZFK-DLBZAZTESA-N 433.486 1.320 0 40 IDAB O=C1CC(=O)Nc2cc(S(=O)(=O)N[C@H](CN3CCOCC3)c3ccccc3)ccc2N1 12762737 JONMRSIZHDCYQE-LJQANCHMSA-N 444.513 1.319 0 40 IDAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 15555707 WYXAGFMQZXDGON-AWEZNQCLSA-N 439.559 1.854 0 40 IDAB O=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)N1CCN(c2ccccc2F)CC1 19349856 NFWKTEPWVHOGCZ-UHFFFAOYSA-N 440.523 1.216 0 40 IDAB Cc1cc(C)c2cc(CN(CCCO)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1 19823573 NJNMQFXGCUGTQR-UHFFFAOYSA-N 446.617 1.926 0 40 IDAB O=C(NCCCN1CCOCC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 20117007 MHGCZFJPLAZOGN-UHFFFAOYSA-N 436.512 1.385 0 40 IDAB COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)N2CCN(c3ccccc3)CC2)=C1 20220001 MYYFXSBBDAIPMG-UHFFFAOYSA-N 440.525 1.907 0 40 IDAB CCN1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2cccnc2)CC1 22784411 FOKDZJFLIAONSS-HXUWFJFHSA-N 429.952 1.846 0 40 IDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1COc2ccccc2O1 25984872 NQYCJEFLTDMPEW-KUHUBIRLSA-N 429.498 1.706 0 40 IDAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3cc(F)c(F)cc3Cl)[C@@H]2SC1 33538253 NSSOSVYNXHCEDG-WBMJQRKESA-N 446.815 1.534 0 40 IDAB CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@H]3CCCO3)c2=O)c1 57428054 SISJSADCLAJRSM-QGZVFWFLSA-N 443.525 1.967 0 40 IDAB CS(=O)(=O)N1CCC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)CC1 58169112 FGYHYMAMTVRGDI-SFHVURJKSA-N 433.530 1.409 0 40 IDAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2N)cc1 71772070 VYYWXZVNQPCUEC-UHFFFAOYSA-N 449.533 1.957 0 40 IDAB Cc1c(C)c2ccc(OCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(C)c2oc1=O 79481915 ULDCYMDVSBPHPK-QGZVFWFLSA-N 448.541 1.428 0 40 IDAB CNC(=O)CN1CC2(CCN(Cc3ccc(C)o3)CC2)COc2ccccc2S1(=O)=O 96037194 MCJWRNJRFWIMSE-UHFFFAOYSA-N 447.557 2.000 0 40 IDAB C[C@]12CC[C@@H](C[C@@H]1C(=O)NCCCN1CCCC1=O)[C@]1(C2)NC(=O)c2cccnc2N1 100208227 HOAPDDJDVGCSKP-LSQVQBOPSA-N 425.533 1.888 0 40 IDAB CCn1ncc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@](C)(N=3)[C@H]2C(=O)OC)c1C 104198822 JEJDONVIQZEJBN-QEWVGDILSA-N 438.509 1.384 0 40 IDAB CC1(C)Cc2cccc(OCC(=O)N3CCN(c4ccc(-n5cncn5)nn4)CC3)c2O1 206871489 WEQCAMSTQFFCLA-UHFFFAOYSA-N 435.488 1.498 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCCOc1ccc(F)cc1)c1ccc2c(c1)OCCO2 224163534 HZCNTVYGCXSFGK-UHFFFAOYSA-N 438.477 1.948 0 40 IDAB C[C@H]1Oc2ccc(S(=O)(=O)N3[C@H]4CC[C@H]3CC(O)(c3nccn3C)C4)cc2NC1=O 248124761 LENMJEIWKDPFLT-RDBSUJKOSA-N 432.502 1.343 0 40 IDAB CC[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC)O[C@H]1COC(=O)c1ccccc1C(=O)O 252286827 LSYZNSASYNHALF-QRKSXFBESA-N 438.429 1.803 0 40 IDAB Cn1ccc(C(=O)N2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccc(F)cc2)C3=O)n1 306139042 SNRZBOCWAGGLHV-YKSBVNFPSA-N 449.486 1.992 0 40 IDAB O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCCN1CCOCC1 408588980 DIUOZHLRHRZNAR-UHFFFAOYSA-N 445.585 1.936 0 40 IDAB Cn1c(C(F)(F)F)nn(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1=O 575614875 BFSJOPZTPZAREQ-UHFFFAOYSA-N 448.423 1.398 0 40 IDAB CNC(=O)C12CCCCN(C(=O)COC)CCOc3ccccc3C(=O)N(CC1)CC2 643574411 VYLVREQSTCCDLV-UHFFFAOYSA-N 431.533 1.693 0 40 IDAB COC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)c1 932468 XDXVQJDAYJRKLV-UHFFFAOYSA-N 427.442 1.951 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCc3ccccc32)cc1 3358205 BIYUXDKFQVZQMP-UHFFFAOYSA-N 445.497 1.398 0 40 IDAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1sccc1C(N)=O)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 8718462 JHQJSMXNCJJRPE-GUTXKFCHSA-N 447.513 1.695 0 40 IDAB CC(=O)c1ccc(N2CCN(C(=O)Cn3nnc(COc4ccccc4)n3)CC2)c(F)c1 9322102 NPBUEDFRYQEDFF-UHFFFAOYSA-N 438.463 1.943 0 40 IDAB O=C(/C=C/C(=O)N1CCN(c2ccccc2)CC1)N1CCN(C(=O)c2ccccc2)CC1 9379504 OPWIFRGILGIYAD-VAWYXSNFSA-N 432.524 1.876 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)C1CCCCC1 9509612 NYAPGQWSDSNBTJ-UHFFFAOYSA-N 440.518 1.778 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1 9545104 UMYUCZSQXXQURX-UHFFFAOYSA-N 443.437 1.975 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CC1 9764160 ODQTXOYZZFLIOU-NRFANRHFSA-N 443.525 1.216 0 40 IDAB O=C(c1cccc(N2CCCC2=O)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 10030680 QPPWFQJNGHKKAJ-OAQYLSRUSA-N 435.480 1.938 0 40 IDAB C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 12904338 VRTBZIJWNJPWDW-HNNXBMFYSA-N 431.489 1.465 0 40 IDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 13118114 VUCXOHOIENIFLQ-GOSISDBHSA-N 449.504 1.994 0 40 IDAB CC(=O)OC[C@H]1O[C@H](n2c(Br)nc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]12 17423656 SPIGLDZVEURWTD-GWESGZDDSA-N 428.243 1.152 0 40 IDAB Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccccc1F 22406133 ZUMLEFGCRNXSGG-UHFFFAOYSA-N 440.479 1.227 0 40 IDAB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 22796257 XCJOKNRAVYGAPC-GOSISDBHSA-N 428.464 1.598 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C(=O)N2CCN(C)CC2)cc1 22854765 PQFVBKZTGCNMTM-UHFFFAOYSA-N 430.530 1.992 0 40 IDAB C[C@@H]1CC(=O)c2cnc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2C1 22927897 LCKBIOSBTNXEBZ-HNNXBMFYSA-N 437.500 1.727 0 40 IDAB Cc1ccccc1C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 35310815 SLLLSFXELZXVBQ-UHFFFAOYSA-N 446.511 1.632 0 40 IDAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 48236856 NQMSIQVZRJPCRO-UHFFFAOYSA-N 447.561 1.741 0 40 IDAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)N[C@@H]2CCc3ccccc32)c1=O 57520748 MHWIIWWFDVTIMI-OAHLLOKOSA-N 425.514 1.561 0 40 IDAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NCc2nnc3ccccn23)c1 79075362 FKJBERZSPYFARR-BQYQJAHWSA-N 432.458 1.411 0 40 IDAB COc1ccc(OC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 83950014 NOYZDETXTNJBML-CQSZACIVSA-N 425.484 1.380 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1 96121923 GAASSTOCXUFBFI-UHFFFAOYSA-N 428.576 1.540 0 40 IDAB COCCN1[C@H]2CCN(C(=O)c3cccnc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145782 HDURDNDHYWYOAZ-ROUUACIJSA-N 431.514 1.785 0 40 IDAB Cc1ccc(CNC(=O)c2ccc3nnc([C@@H]4CN(c5ncccn5)CCN4C)n3c2)o1 96156700 LRUXOJDUSNIONE-SFHVURJKSA-N 432.488 1.844 0 40 IDAB CNC(=O)CN1Cc2c(C(=O)Nc3cccc(C)c3)ncn2-c2ccccc2S1(=O)=O 96266248 DRPNKFFRVPKKDO-UHFFFAOYSA-N 439.497 1.683 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C3[C@H]4CCCC[C@H]34)C1)C2=O 100656453 SEVIJTKPJXZXAV-SQNIBIBYSA-N 444.576 1.983 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O 247817681 CBFVFKZESBYWGA-NRTGNBEESA-N 434.290 1.322 0 40 IDAB Cc1cc(C(=O)N2C[C@@H](O)[C@H](n3cnc4c(N)ncnc43)C2)ccc1NCc1ccccn1 257231279 GGABYQLGYAZNDZ-RTBURBONSA-N 444.499 1.782 0 40 IDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O 575613827 WEXBTADQNYTQOM-LBPRGKRZSA-N 437.449 1.639 0 40 IDAB CN(C)C(=O)[C@H]1CN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)CCN(S(C)(=O)=O)C1 585282322 DMKSSUHGPHNCJQ-JAXLGGSGSA-N 437.606 1.357 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(CC1CCOCC1)C2 1549166938 KRGZBFOYYTVKLN-QFIPXVFZSA-N 441.572 1.974 0 40 IDAB COc1cnccc1C(=O)NC[C@@H]1Cc2c(nn(C)c2C(=O)NCc2ccccc2)CO1 1614940536 FARNDZNQTOJJBH-INIZCTEOSA-N 435.484 1.625 0 40 IDAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)c1cn(C)c3ccccc13)CC2 1772595182 AHPKNZUKHPINJT-OAQYLSRUSA-N 439.560 1.215 0 40 IDAB Cn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)Cc5cc(F)ccc5F)C[C@H]4C3)ncnc21 1888930351 SBOGSVPZKBDSJL-ZIAGYGMSSA-N 434.472 1.540 0 40 IDAB COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 675667 NDODIYATDYFTLM-UHFFFAOYSA-N 435.527 1.843 0 40 IDAB CCN(C(=O)COC(=O)c1cc(OC)ccc1Br)[C@@H]1CCS(=O)(=O)C1 3365062 NLVGNGYTVXWLAH-LLVKDONJSA-N 434.308 1.650 0 40 IDAB O=C1O[C@@H](C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)Cc2ccccc21 8748566 ICTHYVWKMBHYKN-QGZVFWFLSA-N 434.445 1.567 0 40 IDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C 8880295 GHWJHXFSLIPAQW-UIAIXCAPSA-N 426.477 1.927 0 40 IDAB Cc1cc(NC(=O)C(=O)NCc2ccc(Cl)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039890 QHTCCAQPWNXCQC-UHFFFAOYSA-N 426.864 1.661 0 40 IDAB C[C@H](NC(=O)CNS(=O)(=O)c1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 9126563 RARNTAAKGRGZKO-NSHDSACASA-N 431.923 1.143 0 40 IDAB Cc1cc(C)cc(-n2nnc3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)cnc32)c1 9517823 CGEFHRPYICYCLI-UHFFFAOYSA-N 443.511 1.943 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 11719440 PBANRPHQUMRHEZ-UHFFFAOYSA-N 441.531 1.232 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC[C@H]3CCCO3)nc(CC(C)(C)C)nc2n(C)c1=O 11758103 IEVLFKPXGCHFAA-GFCCVEGCSA-N 435.550 1.003 0 40 IDAB COc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3c(c2=O)SCC3)cc1OC 12140668 SOFJNYUWKPODAF-UHFFFAOYSA-N 449.554 1.849 0 40 IDAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 12786081 XULFXHAWFYRJJJ-UHFFFAOYSA-N 427.530 1.686 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1 13009305 QEIBMXYMUGBXOV-UHFFFAOYSA-N 441.517 1.440 0 40 IDAB CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 15972742 IVVLACIXMCNWIS-FLGLUGIDSA-N 433.505 1.478 0 40 IDAB O=S(=O)(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)s1 22277768 XMPNIBYCBNIEBU-UHFFFAOYSA-N 436.964 1.901 0 40 IDAB Cc1cc2c(c(Br)c1C)OC[C@](CN1CCOCC1)(N1CCOCC1)[C@@H]2O 22942747 IKDQRRJWCKHGHC-UXHICEINSA-N 441.366 1.895 0 40 IDAB O=C(CCc1nc(-c2ccncc2)no1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 23099069 MRJPUDAMFDXJTC-UHFFFAOYSA-N 445.483 1.417 0 40 IDAB CCCCc1ccc(NC(=O)Cn2nc([C@H]3CCCN(S(C)(=O)=O)C3)n(C)c2=O)cc1 23141205 NLVXSOUNGKHTJI-KRWDZBQOSA-N 449.577 1.702 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3cccs3)CC1)C2=O 23703097 AFJBAPRRUWISBL-UHFFFAOYSA-N 426.564 1.513 0 40 IDAB COc1ccc2oc(C(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)c2c1 32910478 ATEDPJLSJGVWPZ-UHFFFAOYSA-N 446.481 1.913 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 33905148 OBNBHYQEYRONSE-XIYVOTBMSA-N 438.429 1.457 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)c(C)c1 35594972 FALIPPJTKCNQHP-IBGZPJMESA-N 431.514 1.832 0 40 IDAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(CC(=O)NCC3CC3)nc12 72347057 PNMHHHWKKXZRTK-HZPDHXFCSA-N 438.532 1.766 0 40 IDAB C[C@H]1CCCN(C(=O)CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)C1 72394438 SHEYHXCPKMWJHN-SFHVURJKSA-N 435.590 1.934 0 40 IDAB O=S(=O)(CC(F)(F)F)NCc1cccc(CNS(=O)(=O)CC(F)(F)F)c1 95465330 ZGGHHYMTFKXVKG-UHFFFAOYSA-N 428.376 1.650 0 40 IDAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4oc(=O)n(C)c4c3)cc21 96025625 XTJQNJWEONTVOR-UHFFFAOYSA-N 431.470 1.858 0 40 IDAB COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NCc3nccn3C)CN(C)C(=O)C2)cc1 96113458 WMQBFFLMCRIERL-RTBURBONSA-N 427.549 1.852 0 40 IDAB biogenic,in-vitro CC(=O)N1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 96143588 IGRRRYCSKQHNAD-DLBZAZTESA-N 425.938 1.430 0 40 IDAB CNC(=O)CN1CC2(CCN(C(=O)CC3CC3)CC2)COc2ccccc2S1(=O)=O 96145240 KLISFSZBMLXVAE-UHFFFAOYSA-N 435.546 1.225 0 40 IDAB CCC(CC)CNC(=O)c1ncn2c1CN(CC(=O)OC)S(=O)(=O)c1ccccc1-2 96147465 OULQYLKGDCJROP-UHFFFAOYSA-N 434.518 1.716 0 40 IDAB Cc1ccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)NCc4cnc(C)cn4)=NO3)C2)cc1 96225954 PTVPONQBBAGLQH-FQEVSTJZSA-N 429.502 1.319 0 40 IDAB CCOc1ccc(Cc2cccc([C@H]3CN(C(=O)CN4CCNC(=O)C4)CCO3)n2)cc1 257271158 MXCHMPXSYNJREZ-JOCHJYFZSA-N 438.528 1.403 0 40 IDAB CN1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CN(Cc3ccc[nH]3)CCO2)CC1 257298061 RJYNRBQLTMQVPI-QHCPKHFHSA-N 430.524 1.968 0 40 IDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(N3CCOCC3)cc1)O2 260902812 VYMWYHYEEDNALI-HXUWFJFHSA-N 431.514 1.997 0 40 IDAB CCc1nccn1CC(=O)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643556515 MNIMQRCTRPKKIY-XMMPIXPASA-N 440.544 1.965 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccc(OC)c(C)c5)C[C@H]4C3)ncnc21 2087069171 NWVSCEHNSOCVOX-IYBDPMFKSA-N 442.545 1.920 0 40 IDAB CCOC(=O)[C@@](NNS(=O)(=O)c1ccc(C)cc1)(NC(=O)CC(C)C)C(F)(F)F 2050552 NUPJFDXGJGNUHN-INIZCTEOSA-N 439.456 1.762 0 40 IDAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2NC(=O)c2ccncc2)cc1 9347829 KUYMNIDHISUDHU-QGZVFWFLSA-N 441.513 1.972 0 40 IDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc2c(c1)OCCO2 9466178 ZPGSEYSEJCIKPS-LBPRGKRZSA-N 430.438 1.311 0 40 IDAB Cn1cc(S(=O)(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)c(=O)n(C)c1=O 9620479 KIPTXGADKIXXKN-OAHLLOKOSA-N 444.538 1.737 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 9667408 HYYUBUBMTPAPNC-SFHVURJKSA-N 431.514 1.726 0 40 IDAB COCCNC(=O)CSC(Nc1ccc(C)c(C)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973815 LKDPHJUAKHZLJW-UHFFFAOYSA-N 434.518 1.473 0 40 IDAB Cc1cc(O)c(C(c2ccc(F)cc2)c2c(O)cc(C)n(CCO)c2=O)c(=O)n1CCO 10217766 AGQSHLZUKRTZJG-UHFFFAOYSA-N 444.459 1.342 0 40 IDAB CC(C)OCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 10385577 RCOCMCASLAYKRI-OAHLLOKOSA-N 431.493 1.090 0 40 IDAB O=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)Nc1ccc(F)c(F)c1F 12444066 DZUVRJFSAIBKKA-UHFFFAOYSA-N 427.364 1.310 0 40 IDAB NC(=O)CCc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1Cc1ccco1 12878871 IMRZZUFWUJPRTI-UHFFFAOYSA-N 440.485 1.415 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 13108016 ZNDWTIRYSIBARN-MRXNPFEDSA-N 447.513 1.261 0 40 IDAB CC1(C)C(=O)N[C@H]2CCCC[C@H]2N1C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 19460342 QOADAUHCXYYUPW-ZWKOTPCHSA-N 448.527 1.970 0 40 IDAB C[C@H]1CN(CCNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@H](C)O1 22612115 NRMSLVFXSAZIOL-GJZGRUSLSA-N 428.510 1.903 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 32780672 JINXFUKNXMPJEC-ZJUUUORDSA-N 429.347 1.306 0 40 IDAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C)C2=O 40153849 NGSYSBYMLOIHKE-UHFFFAOYSA-N 431.470 1.570 0 40 IDAB COc1ccc(C)cc1NC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 58171579 LQMVJUYSLKZSRO-UHFFFAOYSA-N 446.529 1.658 0 40 IDAB CCCn1cc(C(=O)N2CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 67337596 BVTUGTSBJZXBDL-UHFFFAOYSA-N 437.953 1.913 0 40 IDAB CCn1cc(C(=O)NCCn2nc(-n3nc(C)cc3C)ccc2=O)c(=O)c2ccc(C)nc21 77196961 VNLZDENWVRPVKA-UHFFFAOYSA-N 447.499 1.514 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(C[C@H]2CCCN(S(C)(=O)=O)C2)C1=O 79061915 PONUMTCXZYRIQD-XOBRGWDASA-N 437.518 1.287 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3ccccc3)no2)cc1OC 223647050 AJYBPHGBVNNRGW-UHFFFAOYSA-N 446.485 1.691 0 40 IDAB O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O)Nc1ccc(Br)cc1 245237518 LRPLETBXTIDYAK-GUTXKFCHSA-N 430.324 1.795 0 40 IDAB COc1ccc(CNS(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1 408608809 SKDYLRKWLIQEGY-MRXNPFEDSA-N 434.514 1.800 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCOCC4(CC4)C3)CC2=O)cc1 542987452 KTZYTIXHXFYPMV-KRWDZBQOSA-N 449.573 1.709 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(c1cccc(O)c1)[C@H]1CS(=O)(=O)C[C@H]1O 575421086 HOJUARLTUPAVCM-JKSUJKDBSA-N 427.500 1.062 0 40 IDAB CCOC(=O)[C@]12CCCN(C(=O)Cc3ccn(C)n3)C[C@H]1CN(c1ncc(C)cn1)C2 585108018 BNFVEJRTUFZPKA-JTSKRJEESA-N 426.521 1.369 0 40 IDAB C[C@]1(NC(=O)c2cccc(-n3cccn3)n2)CCN(C(=O)c2cccc(-n3cccn3)n2)C1 647728448 DASBRGALRNMNJH-QHCPKHFHSA-N 442.483 1.883 0 40 IDAB CCN1CCN([C@H]2CCN(c3nnc(-c4ccccn4)n3C[C@H](COC)OC)C2)CC1 1547725343 WKUHQVDTVVKGPS-RBUKOAKNSA-N 429.569 1.218 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)cc1F 1888919429 KMIQBULUXHQBDR-KBPBESRZSA-N 432.481 1.337 0 40 IDAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(N)=O 1611505 KQTNXKRURVWGGU-GCJKJVERSA-O 431.516 1.354 0 40 IDAB CCOc1ccc(-n2c(O)c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c(=O)[nH]c2=O)cc1 8761981 PITRTVIPSFZHBI-QGZVFWFLSA-N 440.408 1.907 0 40 IDAB biogenic C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OCO2 9415819 SIDCRQDCCKZEOJ-NWDGAFQWSA-N 438.531 1.640 0 40 IDAB O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccncc1 9421976 NPFHLYSUEAEBDH-UHFFFAOYSA-N 434.493 1.054 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 9512320 KKUPDGHIIRDZFX-OAQYLSRUSA-N 429.498 1.675 0 40 IDAB C[C@H](NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)c1ccc(S(N)(=O)=O)cc1 9638303 OCRNRCDAOKIUMP-ZQHYZAEZSA-N 437.543 1.492 0 40 IDAB CCCCn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 11845479 DXEKBTIEKSUWAK-UHFFFAOYSA-N 441.488 1.030 0 40 IDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)N1CCC(n2nnc(-c3ccccc3)n2)CC1 12156038 YUQSIJDQJQIMGV-JSJNYSNDSA-N 434.500 1.535 0 40 IDAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)C2)on1 12252094 BMIGOQSGJOKASK-UONOGXRCSA-N 439.563 1.326 0 40 IDAB CC(C)Cn1c(N)c(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(=O)n(C)c1=O 12678953 YXHFLSFTASQSCN-UHFFFAOYSA-N 433.465 1.949 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2c(s1)CN(C)CC2 12795876 MUJDJQJBDRTAQD-UHFFFAOYSA-N 436.559 1.713 0 40 IDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 12865048 IZSVJILAPNDIHA-GJZGRUSLSA-N 435.999 1.869 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H]1c1nnc2ccccn12 14190018 HOFUKICTBZOJRT-GOSISDBHSA-N 441.513 1.728 0 40 IDAB COC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 14571431 QVRXGIFQEYTQGB-QGZVFWFLSA-N 438.889 1.928 0 40 IDAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1=O 15843141 NOIMPWJUMGDQRN-UHFFFAOYSA-N 445.497 1.580 0 40 IDAB Cc1csc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)n1 17144033 JQQLKRIRTXFGGU-UHFFFAOYSA-N 435.575 1.560 0 40 IDAB O=C(c1cnccn1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699445 FCPNQKLQAHRJKH-UHFFFAOYSA-N 448.527 1.668 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C[C@@H]3CCCCO3)C1)C2=O 19699586 YCCLEHXIAOHVPH-MSOLQXFVSA-N 448.564 1.506 0 40 IDAB CN(C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2ccnn2C)C1 19702196 RYGQVYRQPKMMDB-CQSZACIVSA-N 426.546 1.951 0 40 IDAB Cc1ncc(C(=O)NC2CC2)c([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 19766729 WHMYSBHZVJINSY-KRWDZBQOSA-N 444.513 1.974 0 40 IDAB COc1ccc(CCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1Br 25210223 AOXBWSZBZVUUFN-UHFFFAOYSA-N 434.356 1.341 0 40 IDAB CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 28255808 YNSFGIGNHDPBSH-UHFFFAOYSA-N 428.488 1.605 0 40 IDAB CCN(CC)CCOC(=O)[C@@H]1N2C(=O)[C@H](NC(=O)Cc3ccccc3)[C@@H]2SC1(C)C 31703482 AFKRZUUZFWTBCC-BJLQDIEVSA-N 433.574 1.661 0 40 IDAB biogenic C[C@]1(c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)NC(=O)NC1=O 32818929 XSOHLNIPYHKYDG-HXUWFJFHSA-N 428.470 1.669 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2)CC1 35681039 MTGRNMPAOTYINS-UHFFFAOYSA-N 436.534 1.889 0 40 IDAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)N1CCCCCC1 36394675 YNOIUFYLLUDIMH-MRXNPFEDSA-N 426.608 1.901 0 40 IDAB Cc1nccn1-c1ccccc1CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 62581387 JHEOOLOQHHHNLQ-UHFFFAOYSA-N 434.543 1.910 0 40 IDAB O=C(C[C@H](CN1CCCN(c2ncccn2)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 71288661 HQNLBCQUZJYGKV-MRXNPFEDSA-N 441.488 1.490 0 40 IDAB O=C(C[C@H]1CCCCO1)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 72352101 RJRXUURPNUZGIV-QGZVFWFLSA-N 431.537 1.167 0 40 IDAB CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 95989061 QONASJUHYVXNIW-OAHLLOKOSA-N 448.520 1.061 0 40 IDAB CN(C)C(=O)CN1Cc2c(C(=O)Nc3ccccc3)ncn2-c2ccccc2S1(=O)=O 96266268 VZISNIDDNWCUNY-UHFFFAOYSA-N 439.497 1.717 0 40 IDAB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 100262159 SCTSXRAQMFCZOR-DOWNOZBLSA-N 443.408 1.129 0 40 IDAB COc1cccc(N2C(=O)C[C@@H](N(O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3=O)C2=O)c1 101254655 WMUSFXPHCBVQSB-QZTJIDSGSA-N 439.424 1.359 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 222379870 VZRZULSYZLIMHZ-GOSISDBHSA-N 446.573 1.771 0 40 IDAB CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 225958142 GLZZTOIKRJSMHB-FQEVSTJZSA-N 445.541 1.421 0 40 IDAB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 247847847 NKZXHBWKHXAHSY-UECWXEIQSA-N 435.480 1.392 0 40 IDAB COC(=O)[C@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 247870507 ZDWOERGMCZMBSD-BOCKYXSRSA-N 430.501 1.409 0 40 IDAB CCn1c(CCC(=O)N[C@H]2CCC[C@H](n3cnc4c(N)ncnc43)[C@H]2O)nc2ccccc21 257301513 RYUWCJZRMOJCOG-WJPUGNRLSA-N 448.531 1.982 0 40 IDAB CN(C)S(=O)(=O)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 257341358 ZJZPCAPKOURGGG-SFHVURJKSA-N 428.942 1.875 0 40 IDAB Cc1noc(C)c1CC(=O)N1C[C@@H]2CN(c3ccc4nnc(C(F)(F)F)n4n3)C[C@H]2C1 1888897398 DIKNACGPUISFDS-STQMWFEESA-N 435.410 1.885 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)NC2CCCC2)cc1 7255540 NMSIJMKFXSWEOR-ZDUSSCGKSA-N 425.507 1.256 0 40 IDAB COC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 8740257 PLROOIZZXLNFSK-DLBZAZTESA-N 434.518 1.658 0 40 IDAB biogenic CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2ccc(Cl)cc2)c1 9538789 CLIXVQPTFFWEIG-UHFFFAOYSA-N 425.938 1.891 0 40 IDAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 10072929 AUXKVMQUSCOAJX-HNNXBMFYSA-N 436.468 1.873 0 40 IDAB Cc1cccc(OC[C@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1 10386228 IBBBEHMRFNKUGI-QGZVFWFLSA-N 441.532 1.418 0 40 IDAB COc1ccccc1CCNC(=O)C(=O)NC[C@H]1OCCN1C(=O)c1ccc(Cl)cc1 12080703 XJUFXGSLAXAEOT-LJQANCHMSA-N 445.903 1.622 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1 12772088 OUHHAZOZDFMZNK-KGLIPLIRSA-N 430.457 1.405 0 40 IDAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1 13119423 VTLLLGRYTZTPSX-UHFFFAOYSA-N 434.514 1.720 0 40 IDAB CCn1cc(C(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c(=O)c2ccc(C)nc21 13164586 IVRKLSQQCYUUJW-HSZRJFAPSA-N 449.467 1.845 0 40 IDAB CCn1c(=O)c(C(=O)CN2CCN(c3ccccn3)CC2)c(N)n(Cc2ccccc2)c1=O 14169789 SNQFUASWVZFZIR-UHFFFAOYSA-N 448.527 1.060 0 40 IDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(NC[C@@H]3CCCO3)nc(N3CCCC3)n2)C1 15306158 DTMVUOWUEBKXAB-SQNIBIBYSA-N 437.548 1.848 0 40 IDAB COCc1cnc2c(c1SCC(=O)Nc1ccccc1OC)c(=O)n(C)c(=O)n2C 15883768 FPOAADGMZWYVLR-UHFFFAOYSA-N 430.486 1.518 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15959443 OJLSSLQLXZDJDV-HBIFWPJPSA-N 433.508 1.647 0 40 IDAB Cc1nc(C2CCN(C(=O)CCOc3ccc4c(c3)OCCO4)CC2)ncc1C(N)=O 19766612 LQLDEUJSYADYDG-UHFFFAOYSA-N 426.473 1.830 0 40 IDAB COc1ccc(CN2CCN(CN3C(=O)C(=O)N(Cc4cccs4)C3=O)CC2)cc1F 22793586 OHXFIZCWKNUTNJ-UHFFFAOYSA-N 446.504 1.962 0 40 IDAB O=C(CSc1nnnn1C1CCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23805021 MODMXKHOFSNSMI-UHFFFAOYSA-N 430.534 1.953 0 40 IDAB O=C1C(=O)N(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2cc(F)ccc21 23864593 QPKVKYFWYCTANV-UHFFFAOYSA-N 435.452 1.848 0 40 IDAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1C 32706107 NNSVKUIUZROZHX-UHFFFAOYSA-N 433.530 1.926 0 40 IDAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 32967002 CGNGIIYKNQJDQR-PXNSSMCTSA-N 449.573 1.713 0 40 IDAB O=C(CCCn1cnc2ccccc2c1=O)NCCS(=O)(=O)N1CCc2ccccc21 48236549 VZFXGLRQPIMYPQ-UHFFFAOYSA-N 440.525 1.685 0 40 IDAB Cc1cc(N2CCOCC2)ccc1NC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 48275810 UDWQPURBYUTZNA-CALCHBBNSA-N 440.566 1.392 0 40 IDAB CCn1ccnc1-c1cccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)CN(C)C)c2)c1 89310040 DWIUATIYFVBHIN-SFHVURJKSA-N 425.493 1.266 0 40 IDAB Cc1ccc([C@@H](CNS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)OCCO)cc1 96338136 JXEZOBFKKXFTNW-HXUWFJFHSA-N 430.526 1.859 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@H]([C@H](C)O)N[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 105377423 JBPHKLSPHJFFQO-XYCWUBKJSA-N 449.507 1.613 0 40 IDAB biogenic Cc1cccc(OC[C@@]2(CNS(=O)(=O)c3ccc(Cl)cc3)C[C@H](O)[C@H](O)C2)n1 107283823 HBYBPECIIQVRKZ-IZZQQSIFSA-N 426.922 1.903 0 40 IDAB biogenic,in-vitro CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 260888486 AXHRDLPNNDKCDL-HNNXBMFYSA-N 434.470 1.180 0 40 IDAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(C(=O)c3ccnn3C)CC2)C1 306129584 IHNXCECUIZQCQC-UHFFFAOYSA-N 436.476 1.287 0 40 IDAB CN1c2ccccc2N(C2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)S1(=O)=O 390828595 BJKKOZQBUVNKFI-UHFFFAOYSA-N 449.554 1.976 0 40 IDAB O=S(=O)(NC[C@@]1(O)CCCc2occc21)c1ccc(N2CCCCS2(=O)=O)cc1 1565523659 SYZVOANWECADOD-IBGZPJMESA-N 440.543 1.712 0 40 IDAB NC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)N1CCN(c2ccccc2F)CC1 1848353995 BMDGDEXEFCHUER-JOCHJYFZSA-N 439.535 1.146 0 40 IDAB Cc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)Cc5cc(F)cc(F)c5)C[C@H]4C3)nn12 1888916652 DLWROHOSYVUSFX-GASCZTMLSA-N 434.472 1.609 0 40 IDAB O=C([C@@H]1CCCC(=O)N1Cc1ccc(F)cc1)N1CCN(c2ccc3nncn3n2)CC1 2298087844 JZWLJOIXUGABLB-SFHVURJKSA-N 437.479 1.493 0 40 IDAB NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCCC2 1738660 NMPMSBOBQZXLBQ-UHFFFAOYSA-N 449.554 1.999 0 40 IDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3203428 YQUXDHXLMDAIOP-UHFFFAOYSA-N 436.877 1.783 0 40 IDAB CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 3314637 JUYBZAGAKHKOMW-UHFFFAOYSA-N 447.513 1.569 0 40 IDAB O=C(COC(=O)COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3529958 BPZDOXNXOCTJMT-UHFFFAOYSA-N 434.470 1.268 0 40 IDAB CC(=O)OC[C@H]1O[C@H](n2cnc3c(=S)nc[nH]c32)[C@H](OC(C)=O)[C@@H]1N(C)C(C)=S 4972635 ILKLSOUSFFKWLF-GDLHICMESA-N 439.519 1.529 0 40 IDAB Cc1c(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8764290 CVATZHPMBPCGPH-HZPDHXFCSA-N 435.498 1.022 0 40 IDAB biogenic CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 8861965 CLQJLMJVMCLXEM-HSZRJFAPSA-N 447.451 1.111 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)nc1N 9224323 FGBCMOKLWBIRGW-UHFFFAOYSA-N 433.442 1.525 0 40 IDAB Cc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1S(=O)(=O)N1CCCCC1 9508297 JUMBAHJMUQFKEL-UHFFFAOYSA-N 436.563 1.855 0 40 IDAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NCCc1ccccc1 10734482 YAZCJVSJCHGEDI-UHFFFAOYSA-N 432.498 1.223 0 40 IDAB O=C(CSc1ncccn1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 10861593 IFJZOQVYEPIKSC-UHFFFAOYSA-N 428.923 1.882 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2nn(C)c(=O)c3ccccc23)c(=O)[nH]c1=O 13042486 LRWPGWBDFBRFAP-UHFFFAOYSA-N 440.504 1.469 0 40 IDAB Cc1c(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 13628427 SMQCJKQDZFQTHC-DLBZAZTESA-N 445.493 1.543 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16022059 PBHPEXDLKNNCAD-FXKZBUDASA-N 439.899 1.950 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)N3CCOCC3)c12 16992989 QYFRMWBRDXHKRO-CQSZACIVSA-N 430.486 1.832 0 40 IDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2s1 18186597 VMIPUEDJWSBEJR-GFCCVEGCSA-N 427.573 1.540 0 40 IDAB CN(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 19699327 SJTIBBRVGMFFDE-UHFFFAOYSA-N 441.576 1.168 0 40 IDAB Cc1nc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)nc2c1CCC(=O)N2CC(C)C 19740460 ILICINHCKQNYKB-KRWDZBQOSA-N 437.566 1.434 0 40 IDAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCN1C(=O)c3ccccc3C1=O)C2=O 21868852 VVLIJCRJZPBREI-WHEQGISXSA-N 427.457 1.920 0 40 IDAB O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc(Cl)c2)CC1 24802986 LHMBPZQMHSQTDS-WMLDXEAASA-N 425.938 1.024 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)OCO2 44840860 RHNWTAQTGSDNSA-UHFFFAOYSA-N 428.470 1.683 0 40 IDAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC(=O)N[C@@H]3CCS(=O)(=O)C3)c12 48290531 LSLASLVINATLLT-CQSZACIVSA-N 428.470 1.231 0 40 IDAB O=C(NCCN1CCN(Cc2ccccc2)CC1)c1nc(N2CCOCC2)ncc1Cl 48300020 CRNHKROPONGOAP-UHFFFAOYSA-N 444.967 1.514 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)CC1 56903794 XFSBUGLELZKPHB-QGZVFWFLSA-N 447.536 1.603 0 40 IDAB COc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 78899420 VKZOQLWQVNOQHQ-WBVHZDCISA-N 444.575 1.517 0 40 IDAB Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCC(=O)N(C)C 89702544 KOUNZTKREBSMMS-GOSISDBHSA-N 426.521 1.172 0 40 IDAB C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 105345465 PWWIMLJAYVPOBC-RFLVDRKPSA-N 443.862 1.781 0 40 IDAB CCc1cccc2c1NC(=O)[C@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 105378475 SQGPABFIJDWYSY-OQIUOEPKSA-N 449.507 1.559 0 40 IDAB CN1c2ccccc2N(CCNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)S1(=O)=O 390826421 KSHJWXRXRBIKFV-AWEZNQCLSA-N 432.477 1.496 0 40 IDAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCc1cccc(C(=O)O)c1 408592331 MERMNAVTXIRDMV-OVCLIPMQSA-N 426.381 1.950 0 40 IDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)C1 607754351 DOGJWJUGPXLNJA-HUUCEWRRSA-N 435.550 1.079 0 40 IDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1776008824 PEFXOKACENRVIK-MRXNPFEDSA-N 440.475 1.460 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5cn(C(C)C)cn5)C[C@@H]4C3)nn12 1888926457 MIXSKDKBLPBDNO-GJZGRUSLSA-N 430.538 1.221 0 40 IDAB CCn1cnc2c(N3CCN(CC(=O)N4CCN(c5ccccc5)CC4)CC3)ncnc21 2086867328 KJYZMZGMMCBUFS-UHFFFAOYSA-N 434.548 1.317 0 40 IDAB NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCC2 9086596 YUDHBOLSHLMADR-UHFFFAOYSA-N 435.527 1.609 0 40 IDAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)NCC(=O)NC(C)C)cc1OC 9337185 PRRJJTLJRWPDNI-UHFFFAOYSA-N 447.444 1.347 0 40 IDAB O=C(CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1)NC[C@@H]1COc2ccccc2O1 9548885 QHRMKMRHTGUSFM-VXGBXAGGSA-N 425.488 1.020 0 40 IDAB C[C@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9661905 GZPFXPLEYUWGAP-ZDUSSCGKSA-N 444.469 1.387 0 40 IDAB COc1ccc(Cn2nnnc2SCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 9783376 OHNAYWYLBOKGSC-MRXNPFEDSA-N 427.486 1.778 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)OCc1nnc(-c2ccc(Br)s2)o1 10944444 TWMOPNHVGPGWCS-UHFFFAOYSA-N 441.263 1.922 0 40 IDAB Cc1nn(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2CCCc2ccccc2)c(C)c1C 11613322 DTOOLEXMRYDGEF-UHFFFAOYSA-N 449.515 1.126 0 40 IDAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCc1ccc2c(c1)OCO2 11904596 OASKQAKTZGLYHV-UHFFFAOYSA-N 438.483 1.269 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(Cc3ccncc3)CC2)C1=O 12543350 NFVLNFNUDFAXBN-DEOSSOPVSA-N 435.528 1.669 0 40 IDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 12568741 HXBPVAYWEYHAIO-GCJKJVERSA-N 447.557 1.720 0 40 IDAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 12690266 QIUKBKIEWTYGBB-UHFFFAOYSA-N 445.467 1.990 0 40 IDAB O=C1NC2(CCCCC2)C(=O)N1CC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 13039290 ZOYJERUBVLSXJF-QGZVFWFLSA-N 433.530 1.457 0 40 IDAB Cc1cc(C)c2c(c1)[C@@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15959535 RPQFRVHPUSVADI-VMUNQBKASA-N 433.508 1.647 0 40 IDAB COc1cccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CC3)C4)C2)c1 19564078 PPOBBFYWJCNKFH-KRWDZBQOSA-N 436.512 1.632 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccc(F)cc1 20801331 UFCFSQHKQPUTPT-MOPGFXCFSA-N 425.464 1.749 0 40 IDAB Cc1cc2c(c(Br)c1C)OC[C@@](CN1CCOCC1)(N1CCOCC1)[C@@H]2O 22942755 IKDQRRJWCKHGHC-WOJBJXKFSA-N 441.366 1.895 0 40 IDAB COC(=O)[C@@H](CN1CCN(c2ccccc2)CC1)[C@](O)(c1nccn1C)C(F)(F)F 24927240 IRRDDUWDHNSBTL-APWZRJJASA-N 426.439 1.781 0 40 IDAB COC(=O)[C@H](CN1CCN(c2ccccc2)CC1)[C@](O)(c1nccn1C)C(F)(F)F 24927244 IRRDDUWDHNSBTL-LPHOPBHVSA-N 426.439 1.781 0 40 IDAB CCOc1cc2c(cc1NC(=O)C1=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC1)O[C@@H](C)C2 26886457 HVHWGNUDSKTAPT-JSGCOSHPSA-N 435.502 1.513 0 40 IDAB Cc1cc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)no1 32842990 UTLXCKQEOAXQEZ-OAHLLOKOSA-N 436.490 1.151 0 40 IDAB COc1ccccc1[C@H](O)Cn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)nn1 77100523 RAEMBMXZMSPXDR-HXUWFJFHSA-N 437.500 1.991 0 40 IDAB CCN1C(=O)[C@H]2CN(S(C)(=O)=O)C[C@H]2C12CCN(C(=O)c1cccc(OC)c1)CC2 96143657 AGFLFPYUTGJSDS-ZWKOTPCHSA-N 435.546 1.040 0 40 IDAB COc1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1OC 219432524 BXISABIPJAVYLG-UHFFFAOYSA-N 432.498 1.987 0 40 IDAB COCCOc1cc(CN2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)ccc1OC 257276820 NVGPEDFFXFQYOO-KZNAEPCWSA-N 440.537 1.541 0 40 IDAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 409208812 DMHOBINBHMKCHS-FNTDYBJHSA-N 448.497 1.960 0 40 IDAB CCc1ccc(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NCCOC)n4CC3)C2)cn1 1614940714 JYMNKQLCRFZNEG-QFIPXVFZSA-N 426.521 1.481 0 40 IDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)CC(=O)NCc2ccco2)C1=O 9223454 GFIQKHDGNLDGBL-NRFANRHFSA-N 430.436 1.351 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2nnc3ccc(-c4ccccn4)nn23)CC1 9241407 HHUJAWDNWLRWPI-UHFFFAOYSA-N 427.490 1.579 0 40 IDAB CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(N)=O)CC1 9451590 HGTJIEWQKQIMTM-APWZRJJASA-N 446.523 1.433 0 40 IDAB COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 9631887 GOBPLFLAHVBDCS-UHFFFAOYSA-N 448.497 1.378 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)Nc1ccc2c(c1)OCO2 9660560 URIBSPYPKIUZBA-UHFFFAOYSA-N 430.420 1.974 0 40 IDAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NN1C(=O)NC2(CCCCC2)C1=O 9722403 ZIKLQGDAYKPAJD-UHFFFAOYSA-N 440.504 1.252 0 40 IDAB O=C(NCCc1ccccc1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031121 CTHAPAYJCZOFNI-INIZCTEOSA-N 425.503 1.759 0 40 IDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(n3c(=O)[nH]c4ccccc43)CC1)C2=O 12592293 FFCMNLAYBIJKFU-NPMXOYFQSA-N 439.516 1.994 0 40 IDAB CSC[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 12660219 NPQAQXMWDAMBJC-KBMXLJTQSA-N 437.518 1.225 0 40 IDAB biogenic COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccncc5)C(=O)[C@@H]24)O3)cc1OC 12664519 PXEJCMCVHDBDIB-XSARVHFWSA-N 449.507 1.740 0 40 IDAB CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1 12984237 GIMDHBRSASDICS-JOCHJYFZSA-N 426.517 1.754 0 40 IDAB CC(C)CC[C@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 13058904 KCSJUIKUYZJRLS-SFHVURJKSA-N 428.580 1.759 0 40 IDAB O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)N1CCNC1=O 13117003 FSPQZFUOCGFCSZ-UHFFFAOYSA-N 436.472 1.075 0 40 IDAB CN1N=C(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CCC1=O 16231139 MLQOCHVRYDVJBU-UHFFFAOYSA-N 433.317 1.435 0 40 IDAB CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnn1CC)CC2 19499864 CGCSXWQCULJROU-RHSMWYFYSA-N 426.521 1.894 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3nnc(-c4ccncc4)n3)C2)cc1F 19559638 UOEUNXIUNRXTEU-AWEZNQCLSA-N 432.481 1.984 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)Cn3ccnc3C(C)C)C1)C2=O 19700743 ISXDEAFMORCNRO-QGZVFWFLSA-N 430.553 1.404 0 40 IDAB COc1ccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc1OC 19924116 MVGZFUPVKZSXQY-UHFFFAOYSA-N 432.506 1.687 0 40 IDAB COc1ccc(OC)c(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 20033416 ONYOZUOWVJXENX-UHFFFAOYSA-N 434.514 1.584 0 40 IDAB COc1ccc(CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)cc1 20744299 MPMJBGGTJBAOST-UHFFFAOYSA-N 433.486 1.499 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3cc(=O)n4ccsc4n3)CC1)C2=O 22796757 STWAZPKXIFKVEL-VFNWGFHPSA-N 444.561 1.332 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)s1 22875951 LQYRDGVRPRGSCW-CYBMUJFWSA-N 425.532 1.760 0 40 IDAB Cc1cc2c(cc1Br)[C@H](O)[C@@](CN1CCOCC1)(N1CCOCC1)CO2 22941724 JMBQVTAGEXASNE-OALUTQOASA-N 427.339 1.587 0 40 IDAB COc1ccc2cnn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c2c1OC 40283985 JHRWFSIKROWQCC-UHFFFAOYSA-N 426.448 1.902 0 40 IDAB Cc1cc(NC(=O)[C@H]2C[C@H](c3cn(C)nc3C)NS(=O)(=O)N2C)n(-c2ccccc2)n1 72335148 SOXOYACCMGAQIL-QZTJIDSGSA-N 443.533 1.441 0 40 IDAB C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cc[nH]n4)CC3)n2)C1 72335943 HWDKOABJNWTDIV-CQSZACIVSA-N 432.550 1.859 0 40 IDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C2)n[nH]1 95402713 AHIWULGBOYKTSL-LBPRGKRZSA-N 439.925 1.237 0 40 IDAB COc1ccc2cc([C@@H](CC(=O)N3CCOCC3)c3oc(C)cc(=O)c3O)c(=O)[nH]c2c1 96115876 POKAQQSSXBVJGJ-MRXNPFEDSA-N 440.452 1.885 0 40 IDAB biogenic O=C1C(=O)N(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C(=O)N1Cc1ccccc1 96191552 ZRMHROFOUWHCEC-UHFFFAOYSA-N 434.496 1.688 0 40 IDAB CCC(CO)(CO)C(=O)OCCCCOC(=O)COC(=O)c1ccccc1OC(C)=O 221017413 DHKOKKAZACFANM-UHFFFAOYSA-N 440.445 1.016 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222422121 POJYJBAODSCZBZ-HNNXBMFYSA-N 429.498 1.303 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)ccc1OC 223850811 ZFTZPVUDSKRNGN-UHFFFAOYSA-N 438.502 1.949 0 40 IDAB C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O 224550373 MORZNUCSTDLWCM-GOSISDBHSA-N 431.558 1.990 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1cccc(F)c1 224554370 IEUCIYWHKCWRSC-UHFFFAOYSA-N 435.521 1.740 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCCN1CCOCC1 408594226 PFHSTIRMFHKING-UHFFFAOYSA-N 445.969 1.342 0 40 IDAB CCn1c(O)nc2cc(C(=O)N[C@@H]3CCN(Cc4ccc(OC)cc4)C3=O)ccc2c1=O 523722962 AOBCYVBPELAESO-GOSISDBHSA-N 436.468 1.662 0 40 IDAB O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCCc2ccc3c(c2)OCO3)C1 585283001 ALIAVGTUVSXDND-LADGPHEKSA-N 426.513 1.505 0 40 IDAB C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1nc(C(F)(F)F)ccc1=O 1888920863 FIASPYSGAFJACI-ZDUSSCGKSA-N 438.406 1.896 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)cc1 667005 UCLIMQNUJBGMMX-UHFFFAOYSA-N 445.501 1.361 0 40 IDAB COC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)[C@H](C)O 4018280 CMDMFCXLUPCMSQ-GDIGMMSISA-N 430.457 1.268 0 40 IDAB Cn1nc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c2ccccc2c1=O 8988441 XWBXUGWJBYXXJI-UHFFFAOYSA-N 440.481 1.136 0 40 IDAB C[C@@H]1Oc2ccc(NC(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2NC1=O 9447137 RWIZKTCELGVBAP-LBPRGKRZSA-N 447.469 1.484 0 40 IDAB COc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)ccc1OCC(=O)N1CCOCC1 9637426 OTYOGQCDBBVCMT-UHFFFAOYSA-N 438.444 1.161 0 40 IDAB CC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 9638242 GRAINVVLCVXAQV-OAQYLSRUSA-N 429.542 1.928 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCC(C(=O)c2ccccc2)CC1 9989916 LFGNVQTYOOLJAQ-UHFFFAOYSA-N 438.528 1.969 0 40 IDAB CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCC[C@@H]1C(N)=O 12342442 NQZYVZPEQQKCLY-XHSDSOJGSA-N 426.558 1.543 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 12821862 BMDSBZOPVFPAMX-UHFFFAOYSA-N 440.403 1.876 0 40 IDAB CC(=O)OC[C@H]1O[C@H](Oc2ccc(C)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 12938925 OBNBHYQEYRONSE-MJCUULBUSA-N 438.429 1.457 0 40 IDAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 12985014 IKQGRYYSSGGSAT-CYBMUJFWSA-N 444.473 1.097 0 40 IDAB O=C(NCC(=O)N1CCSCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13687672 GZNKQFHVCWYBKO-UHFFFAOYSA-N 445.994 1.432 0 40 IDAB O=C(CCn1c(=O)oc2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 14245228 MNVPPPZAMHLMGD-UHFFFAOYSA-N 447.469 1.350 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cncc(Br)c1 18151496 FKGQIKBWQNZHKH-UHFFFAOYSA-N 440.319 1.795 0 40 IDAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 18821767 PRQVKFFDCABAAB-INIZCTEOSA-N 431.489 1.712 0 40 IDAB CN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)c4cc5c([nH]c4=O)CCC5)C3)cc2n1 19585668 XCSXDVMVDIQVRS-CQSZACIVSA-N 434.500 1.581 0 40 IDAB COCCCN1C(=O)CCc2c(C)nc(CN(C)S(=O)(=O)c3ccc(OC)cc3)nc21 19697991 QEQBEJUAGAEFHY-UHFFFAOYSA-N 448.545 1.930 0 40 IDAB CCN(CC)S(=O)(=O)N1CCc2nc(N)c(C(=O)Nc3ccccc3OC)cc2C1 19700625 HXBIZDUVZINHRM-UHFFFAOYSA-N 433.534 1.869 0 40 IDAB CNC(=O)c1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)nc1C 19711149 AMJYYPAHKWVMSA-QGZVFWFLSA-N 443.529 1.466 0 40 IDAB Cn1nccc1C(=O)N1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19759659 CQWDQTPQDRFPTP-OAQYLSRUSA-N 435.484 1.654 0 40 IDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)cc1 19850627 JMBVFSVKCLLXLC-UHFFFAOYSA-N 432.527 1.915 0 40 IDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCN(CCc2ccccc2)CC1 20816390 RDDULNJCMAOORK-UHFFFAOYSA-N 449.559 1.153 0 40 IDAB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 22795795 KCGFFGJSYLQLBB-IBGZPJMESA-N 442.491 1.276 0 40 IDAB O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCN(Cc2ccncc2)CC1 23820093 JXLRJKJIUAWSNG-HXUWFJFHSA-N 444.557 1.497 0 40 IDAB COc1ccc(OCCN2CCN(C(=O)c3sccc3S(N)(=O)=O)CC2)cc1 32857601 FRPWVKFPTHHFSK-UHFFFAOYSA-N 425.532 1.241 0 40 IDAB CC(C)CNC(=O)CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(C)C)nnc12 33292106 TURSEXGBZLCFKD-UHFFFAOYSA-N 444.561 1.823 0 40 IDAB CCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc(C)ccc1C 35310816 DBXYNVDPXJBVQJ-UHFFFAOYSA-N 426.521 1.427 0 40 IDAB O=C(NCCCN1CCOCC1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@]23C=C[C@H]1O3 35485426 ZBDPUCXJZDSDJN-VQQMMKBISA-N 431.920 1.465 0 40 IDAB Cc1[nH]c(=O)n(C)c(=O)c1CCc1nnc(SCC(=O)N2CCc3ccccc32)o1 35597136 APPFAMJXVGSDBF-UHFFFAOYSA-N 427.486 1.232 0 40 IDAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1cc(F)c(F)c(F)c1 36359459 WHJOAJLYHFTHPZ-HNNXBMFYSA-N 427.404 1.622 0 40 IDAB COc1cccc([C@@H]2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)c1OC 39976517 CYHPEICRNQVRSB-OAHLLOKOSA-N 433.895 1.407 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)o1 48303949 JZNOGAZIHSNENL-FQEVSTJZSA-N 449.485 1.658 0 40 IDAB COc1ccc(C(=O)N2CCC(c3c(S(C)(=O)=O)cnc4ncnn34)CC2)cc1OC 57730020 LNURLDKJJUHQNX-UHFFFAOYSA-N 445.501 1.565 0 40 IDAB O=C(CN1CCN(c2nc3cccnc3s2)CC1)NCC(=O)Nc1ccc(F)c(F)c1 58344055 PERGRCXRIJVLJE-UHFFFAOYSA-N 446.483 1.846 0 40 IDAB Cc1c([C@H]2C[C@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)N(C)S(=O)(=O)N2)cnn1C 72335094 OEHPAPNLZMSTCU-WUCQLZOISA-N 435.594 1.641 0 40 IDAB O=c1ccc(-n2ccnc2)nn1CCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 77197047 IYWAXRKISOMYGI-UHFFFAOYSA-N 431.371 1.565 0 40 IDAB O=S(=O)(c1cccnc1)N1CCN(c2nc3ccccc3nc2N2CCOCC2)CC1 89873307 NIIOQZWWSGOMBF-UHFFFAOYSA-N 440.529 1.372 0 40 IDAB C[C@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 100770765 RSCLXFAWZIXTNW-XQLPTFJDSA-N 443.566 1.808 0 40 IDAB CN(C[C@H]1CCCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1)C(=O)OC(C)(C)C 108088921 CQDACPNKCUZPBG-RKYPPNDESA-N 435.521 1.254 0 40 IDAB COc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1C(=O)N1CCOCC1 224034521 CLHZYVMKXQYLRL-UHFFFAOYSA-N 434.514 1.833 0 40 IDAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)cc1 224439547 SKONMVRPNQOQJZ-UHFFFAOYSA-N 445.541 1.853 0 40 IDAB Cc1n[nH]cc1C(=O)N1CCN(C)[C@H](C(=O)N2CCC(COc3ccccn3)CC2)C1 257268517 MMBKNTKAPSICBZ-IBGZPJMESA-N 426.521 1.187 0 40 IDAB O=C(c1cccnc1)N1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O 306125813 DCYNSEVQKKRXMM-QPPBQGQZSA-N 429.480 1.909 0 40 IDAB C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1)C(=O)N1CCOCC1 408610683 VGYHHNPFILFXON-OAHLLOKOSA-N 448.497 1.885 0 40 IDAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Br)cc1 408652310 CFRLCQJMWBHPPV-BHWMQLMCSA-N 435.274 1.962 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408668581 VDRFUJQPRXRLBQ-KODHJQJWSA-N 428.441 1.376 0 40 IDAB O=C1[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1cccc(I)c1 409293486 YSLSVPAQFQPNDV-KOFHJDLBSA-N 439.205 1.477 0 40 IDAB CC(=O)NCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)Cc1ccccc1 585262456 QTXYJMXZMNBOSS-SCPDWHHUSA-N 429.492 1.459 0 40 IDAB CC1(C)CN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CCN1CCO 682011173 CSZLATKJMXOQFZ-UHFFFAOYSA-N 438.377 1.577 0 40 IDAB O=C(/C=C/c1cccs1)N1CCC2(CC1)O[C@H](C(=O)N1CCOCC1)Cn1ccnc12 2055795688 DVIICJKYAQPCHZ-WHLIDYPQSA-N 442.541 1.733 0 40 IDAB COCCOC(=O)N[C@@H]1CO[C@]2(CCCN(Cc3ccnc(N4CCOCC4)c3)C2)C1 2056226266 OAJWGYPNJHEMCP-SIKLNZKXSA-N 434.537 1.414 0 40 IDAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1=NO[C@@]2(CCCN(Cc3ccc(F)cc3F)C2)C1 2056226696 XYZNTTXKMIANKQ-BEFAXECRSA-N 427.473 1.379 0 40 IDAB Nc1nc2ccc(NCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 1995991 MXBUWHDMZGKTHK-INIZCTEOSA-N 439.428 1.165 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 2654849 BYXUMVQSLYPJRI-OAHLLOKOSA-N 433.486 1.288 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 3432573 MDPWZRLQLAJLRH-UHFFFAOYSA-N 431.514 1.985 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4975054 PXDSYUHUQAIRBD-BHPKHCPMSA-N 426.813 1.194 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COc2cccc3c2OC(C)(C)C3)CC1 8862230 PCWMHMMZDZMXML-UHFFFAOYSA-N 449.529 1.917 0 40 IDAB C[C@@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)NC(=O)NC1CCCCC1 9633799 PXTOBBSJJFYAEQ-SNVBAGLBSA-N 444.282 1.862 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)C1CCN(S(=O)(=O)c3ccccc3)CC1)C2=O 9637105 YPRNNCUWGYEOOJ-UHFFFAOYSA-N 448.545 1.619 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccncc2)c1 9715715 CTRUEXSAYDQVEA-GOSISDBHSA-N 430.530 1.284 0 40 IDAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 10256106 JONYYDDOOIHWBN-HXUWFJFHSA-N 443.525 1.415 0 40 IDAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cnn1C 11337915 WWAPIXPKIJGZAT-UHFFFAOYSA-N 427.324 1.638 0 40 IDAB CC(=O)N1CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 12777666 IZPFRJDHBSQBTR-UHFFFAOYSA-N 425.415 1.050 0 40 IDAB COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)c1 12951018 GFFVTXAXCLOIQX-UHFFFAOYSA-N 434.514 1.997 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 12980741 OSWYMHGVXWEWPV-OAQYLSRUSA-N 429.498 1.709 0 40 IDAB CC(C)Cn1c(N)c(C(=O)COC(=O)CSc2nc3ccccc3o2)c(=O)n(C)c1=O 13114270 CJMOUYSYMZCESA-UHFFFAOYSA-N 446.485 1.445 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2C)cc1 13375879 RBRPJPGZPQYMCG-PMACEKPBSA-N 436.555 1.683 0 40 IDAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCc1ccccn1 13550518 VOLJLRKDTUYZSR-OAHLLOKOSA-N 448.520 1.443 0 40 IDAB COc1ccc(NC(=O)[C@H](C)OC(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1OC 16772183 KAROFHGUJLJTHW-LBPRGKRZSA-N 447.469 1.313 0 40 IDAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 18838692 WMKDDXWWRMBRQB-OAHLLOKOSA-N 432.498 1.970 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCC[C@H](C)C2)c2c(C(N)=O)nc(-c3cccs3)nc21 19524219 MLYHCHUBXHSSKR-LBPRGKRZSA-N 428.518 1.699 0 40 IDAB CCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1nc(C)c2c(n1)N(CC1CC1)C(=O)CC2 19698105 QKUDNHHRASQXEP-QGZVFWFLSA-N 449.577 1.247 0 40 IDAB Cn1ccnc1C(=O)N1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19759195 QADMFQQOCJCZPJ-HXUWFJFHSA-N 435.484 1.654 0 40 IDAB Cc1cc(C)cc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 22229444 IKXLFPKRJSGBLD-UHFFFAOYSA-N 431.514 1.579 0 40 IDAB Cc1nnsc1C(=O)N1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 43958255 IUJJDDPAUHKOTP-UHFFFAOYSA-N 438.531 1.448 0 40 IDAB CCc1nc(-c2ccc(N3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nc2)no1 44094800 WKFRDVOSKHCJHX-UHFFFAOYSA-N 448.549 1.014 0 40 IDAB Nc1ccc(C(=O)OCC(=O)OCCCOC(=O)COC(=O)c2ccc(N)cc2)cc1 59191109 WBOPZQPHHSAZAO-UHFFFAOYSA-N 430.413 1.341 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4nnc(C(=O)NC5CC5)n4)cc3)CC2=O)cc1 71001020 PSQQFXCCUKKWQR-HNNXBMFYSA-N 445.483 1.855 0 40 IDAB Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3cnn(C)c3C)C2)c(=O)o1 71785176 LLTXDTWJHAIPQA-QGZVFWFLSA-N 443.485 1.699 0 40 IDAB Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(C(=O)c3cnc(C)cn3)CC1)O2 72394381 GZULWRZFADKIHS-UHFFFAOYSA-N 430.530 1.922 0 40 IDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccccc3OC)c(=O)n12 100895657 MHXSAMJHOWGLLP-DIHKCLOVSA-N 436.489 1.868 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@H]2[C@H](C(=O)NCc3ccc(F)cc3)[C@H]3C=C[C@]21O3 245229832 GXSVIIIAPAWTCO-PIHRHBHTSA-N 441.503 1.670 0 40 IDAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)cc2)c1 408613124 ZXMZFZMTFSVAEN-UHFFFAOYSA-N 449.529 1.323 0 40 IDAB Cc1cnc(O)n1-c1cccc(-c2noc(CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)c1 547063660 SHZJUKPTQSGMQL-AHCXZYCDSA-N 435.440 1.641 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 575617421 PTMODLPEBGZLNX-UHFFFAOYSA-N 434.499 1.665 0 40 IDAB COc1cccc(N2C[C@H](C(=O)N3CCN(c4nc(C)c(F)c(O)n4)CC3)CC2=O)c1 1888869967 XGVLAMWCDMODFU-CQSZACIVSA-N 429.452 1.340 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)c1 8849680 OBCQZGXYICGUHK-UHFFFAOYSA-N 437.456 1.521 0 40 IDAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1ccccc1 9304399 GNXSDTZKJJOENM-PKOBYXMFSA-N 429.542 1.908 0 40 IDAB Cc1ccccc1CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 9576790 MBBRKTIIADLHNK-LJQANCHMSA-N 431.514 1.165 0 40 IDAB COCCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1C(F)(F)F 9827551 MDLVQLNRLYPPLE-UHFFFAOYSA-N 446.451 1.888 0 40 IDAB CN1CCN(n2c3c(c(SCC(=O)NCCc4ccccc4)nc2=O)CCCC3)CC1 10255179 NZPRSZWVOZVBFS-UHFFFAOYSA-N 441.601 1.457 0 40 IDAB Cc1ccsc1C(=O)N(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 10708215 QIRURFXNJPVAQK-UHFFFAOYSA-N 449.577 1.906 0 40 IDAB CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](CN3CCCC3)[C@H]1[C@@H]2OC(C)=O 12653151 MOYOJTXMWPQGBG-KIOXUHQCSA-N 437.533 1.530 0 40 IDAB biogenic COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(F)cc3F)CC2)cc1 12822072 NLIWCCNJBKCZQK-UHFFFAOYSA-N 426.441 1.885 0 40 IDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1 12849479 VUEIQNPKGGKVBK-GASCZTMLSA-N 442.509 1.508 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)c1 12870754 RLBXQIRHPJPKOD-UHFFFAOYSA-N 440.525 1.616 0 40 IDAB C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccco1 14238075 MQRDZQAXZCPWEZ-MRXNPFEDSA-N 449.529 1.625 0 40 IDAB O=C([C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)N1CCN(c2ccccn2)CC1 14242432 PJUJLYQZLBCQBZ-QGZVFWFLSA-N 425.514 1.344 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)c2nn(CCC)c(=O)c3ccccc23)c(=O)[nH]c1=O 14656191 NMKANAIJVQSGTI-UHFFFAOYSA-N 426.477 1.315 0 40 IDAB CN1CCN(c2ccc(NC(=O)c3c4c(nn3[C@H]3CCS(=O)(=O)C3)CCC4)cc2)CC1 16850897 ZRWWXGAKBGHKAV-SFHVURJKSA-N 443.573 1.736 0 40 IDAB Cc1cc(C)nc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)n1 19118782 XKJOZYCEPNMOKK-NRFANRHFSA-N 445.589 1.661 0 40 IDAB COc1cccc(N2CCN(C(=O)C(=O)NCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1 20719208 BILYHSGMUKGCFU-UHFFFAOYSA-N 449.511 1.371 0 40 IDAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCN(C(=O)c2cccs2)CC1 21839342 QCLILDHEGGGPMN-UHFFFAOYSA-N 432.527 1.486 0 40 IDAB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 22797170 QTGHIIINIARRPK-FQEVSTJZSA-N 438.528 1.445 0 40 IDAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc3c(c1)C(=O)N(C)C3=O)C2=O 24020865 IPOLQQKTYIWBGT-AMXDTQDGSA-N 426.473 1.988 0 40 IDAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@]23C(=O)Nc2ccc(C)cc23)c1 57122084 NVPKVNIBJCWLCB-SVLHDBBDSA-N 438.484 1.652 0 40 IDAB NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)cc1 90607898 ZUDVGBDKBCDVRC-UHFFFAOYSA-N 439.501 1.225 0 40 IDAB Cc1c(NC(=O)[C@H]2COCC(=O)N2Cc2cccs2)c(=O)n(-c2ccccc2)n1C 90608512 OPMJVAMJAQHTIL-QGZVFWFLSA-N 426.498 1.912 0 40 IDAB CCc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc5c(c4)OCCO5)[C@H]3C2=O)cc1 100033016 IQTAYBXSABNVRF-VQTJNVASSA-N 435.440 1.952 0 40 IDAB CN(C)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1Cl 102123179 QWSHVPZLTBYEKU-ZIAGYGMSSA-N 439.921 1.870 0 40 IDAB O=C(NCCN1CCOCC1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 218797323 IPWSGPKDRZPEHA-OAQYLSRUSA-N 445.541 1.232 0 40 IDAB COc1cccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)n2)c1 219014337 HOUCBERBBDXRFZ-UHFFFAOYSA-N 430.486 1.991 0 40 IDAB COc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)s2)cc1 223149704 AUCYXMVHVNWIAV-UHFFFAOYSA-N 425.536 1.671 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 390832270 YHSJQRCPDLGMQY-UHFFFAOYSA-N 432.406 1.991 0 40 IDAB COc1ccc(OCc2nnc(SC)n2NC(=O)CSc2nnc(C)n2N)cc1 409197052 UWPXPMMYZDLTMH-UHFFFAOYSA-N 436.523 1.064 0 40 IDAB CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)CC1 409201144 VVPNPLAKKAMRES-HNNXBMFYSA-N 427.523 1.443 0 40 IDAB Cc1cc(C(=O)N2CCN3CC(=O)Nc4cc(-c5cccnc5)ccc4OC[C@@H]3C2)n(C)n1 1772594579 NEGNYBPDPJCMAP-IBGZPJMESA-N 446.511 1.948 0 40 IDAB Cc1nnc2ccc(N3CCCN(C(=O)Cn4cnc(-c5ccccc5)cc4=O)CC3)nn12 1775967075 DQIHPTGUKODZIH-UHFFFAOYSA-N 444.499 1.395 0 40 IDAB COc1ccc(S(=O)(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)cc1C(N)=O 1775974798 QLVMHAMZURVBGG-UHFFFAOYSA-N 431.392 1.660 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 3190688 QJLWZLBGDIZMGM-UHFFFAOYSA-N 441.531 1.382 0 40 IDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1C 3483816 BMHYXCMOOUMTPH-UHFFFAOYSA-N 431.445 1.543 0 40 IDAB CC[C@H](C)[C@H](NC(=O)N1CCN(C(=O)N[C@H](C(=O)OC)[C@@H](C)CC)CC1)C(=O)OC 5350824 GCNHBHXKPVRWGP-VGWMRTNUSA-N 428.530 1.199 0 40 IDAB COc1cc(C)ccc1OCC(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1 8745889 FNPIEIUEJGIKFJ-UHFFFAOYSA-N 441.527 1.962 0 40 IDAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1cccnc1 9061117 WCLXDMXPPXLNJI-FUHWJXTLSA-N 430.530 1.303 0 40 IDAB COc1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1 9446507 JJCNWVOPLZZVGV-UHFFFAOYSA-N 436.516 1.942 0 40 IDAB C[C@@H](Oc1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9569998 UUUIWPWXAMLWPR-QGZVFWFLSA-N 435.521 1.861 0 40 IDAB COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9570014 YHQVFSYAKBZLDZ-UHFFFAOYSA-N 435.521 1.645 0 40 IDAB COCCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 9827552 GJUDUUQLJRMZRK-UHFFFAOYSA-N 446.451 1.888 0 40 IDAB CCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(Br)ccc3OC)nnc12 10969958 XMNFZZRTSOPNKD-UHFFFAOYSA-N 433.266 1.539 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc1 11856618 GCZVFSVUOROPIJ-UHFFFAOYSA-N 428.466 1.839 0 40 IDAB CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC[C@H]3CCCO3)[nH]c2=O)cc1 12033414 YJGQEWXRZJXZAX-CQSZACIVSA-N 447.517 1.390 0 40 IDAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCS(=O)(=O)CC1)CC1(CCOCC1)O2 12086924 KNPWCPZPCNASAV-INIZCTEOSA-N 436.530 1.024 0 40 IDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)CCCN3C(=O)CNC3=O)C2)C1 12087163 ZLCIGYGCHXXWIN-JOCHJYFZSA-N 428.489 1.121 0 40 IDAB COc1ccc([C@@H]2C[C@H](C(=O)Nc3cccc([C@H](C)O)c3)N(C)S(=O)(=O)N2)cc1OC 12132771 ROOBPDGNBBVIJU-DOPJRALCSA-N 449.529 1.975 0 40 IDAB C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCCc2ccccc21 12972482 ZNTFBNQRJXOMFS-GOEBONIOSA-N 447.513 1.063 0 40 IDAB Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 13060905 VQDSXINNULGYLQ-UHFFFAOYSA-N 431.514 1.711 0 40 IDAB Cc1nc(COc2ccccc2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cs1 14083368 MDZMJZFJBJNUNE-KRWDZBQOSA-N 435.571 1.975 0 40 IDAB COc1ccc(NC(=S)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCCC4)N3C2)cc1 15707543 GSOKCARVLSOEFC-SCTDSRPQSA-N 445.589 1.326 0 40 IDAB biogenic,in-vitro C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccccc1 19077918 QYQRZQRUNLAIGL-OAHLLOKOSA-N 445.570 1.875 0 40 IDAB COc1cc(C(=O)N2CCC[C@H](c3cc4nc(N(C)C)ncc4c(=O)[nH]3)C2)nc(OC)n1 19585666 GKIGKGPPDALYCG-LBPRGKRZSA-N 439.476 1.211 0 40 IDAB CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)N1CCN(C)CC1 19852335 VFFXRXLAQLINOW-UHFFFAOYSA-N 446.577 1.145 0 40 IDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O 20761739 POLKKJSFEYHWBA-KRWDZBQOSA-N 425.441 1.314 0 40 IDAB biogenic CCCNC(=O)CN1CCN([C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 22921121 LXRQFUPFAJZPIB-JOCHJYFZSA-N 444.601 1.850 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cnn4c(C)cc(C)nc34)CC2)cc1 23043605 LVKJSCCOWQQTAV-UHFFFAOYSA-N 443.529 1.938 0 40 IDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 24605574 LKEPRAGYBPAQKD-NRFANRHFSA-N 442.541 1.581 0 40 IDAB O=C(NC[C@H]1CCN(CCN2CCOCC2)C1)Nc1cccc(Cn2cccnc2=O)c1 58368733 FQMXHYUZQHTDNC-HXUWFJFHSA-N 440.548 1.067 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3[S@](C)=O)c2)CC1 78899470 WEMFIQKTNNGLQG-GDLZYMKVSA-N 449.554 1.529 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@@H]3C(C)(C)O)c(Br)cc21 89761630 YEPNAMSAGBMCBK-CQSZACIVSA-N 432.340 1.564 0 40 IDAB CCCCN(C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O 102343692 CRQBEVVAPBSRIF-GJZGRUSLSA-N 447.536 1.227 0 40 IDAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCN(C)CC2)n1C 197340387 KVCVDFPNYIAIRH-SFHVURJKSA-N 430.578 1.808 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)CC1 220614641 INHHTNLVPBFUGF-QGZVFWFLSA-N 427.523 1.541 0 40 IDAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222944515 TUTFRUURMCQONS-KRWDZBQOSA-N 429.498 1.385 0 40 IDAB CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@H]21 248323265 XNEWTCWKDGAHAW-RWIVWMPQSA-N 426.469 1.327 0 40 IDAB Cn1c(=O)c2ccc([C@@H]3CN(C(=O)CCc4ccc(F)cc4)CCO3)nc2n(C)c1=O 257214853 CNSAAKOPPZYPCC-SFHVURJKSA-N 426.448 1.304 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)COc3ccc4c(c3)cc(C)n4C)CC[C@@H]2O)CC1 257233091 GNTCJBQSCLHNFV-GOTSBHOMSA-N 442.560 1.382 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4ccc(F)cc4)C2)C3)cs1 306136890 QFZHLESEMFBMBG-NRFANRHFSA-N 427.505 1.806 0 40 IDAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)C3)ncn2)n1 390827640 ZZGZYOHUPVMHKV-UHFFFAOYSA-N 427.490 1.001 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408652883 DGLXHFDSUHOIJK-YMJGMLMDSA-N 428.441 1.381 0 40 IDAB COc1cc(CN2CC[C@](O)(CN3CCC(NC(C)=O)CC3)C2)ccc1OCCN(C)C 585272950 NQJUURGHKSAUMJ-DEOSSOPVSA-N 448.608 1.173 0 40 IDAB O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)N1CCN(c2ccccc2)CC1 1223084 UPIVJSYZGZPMHW-UHFFFAOYSA-N 433.516 1.526 0 40 IDAB CCOCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C 8709731 FKIWJCOEILBYRH-CQSZACIVSA-N 428.468 1.878 0 40 IDAB Cn1nc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c2ccccc2c1=O 9283122 SJLLNQWNBVLCKV-UHFFFAOYSA-N 426.454 1.378 0 40 IDAB CCc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc5c(c4)OCCO5)[C@H]3C2=O)cc1 9938676 IQTAYBXSABNVRF-WOJBJXKFSA-N 435.440 1.952 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2cccc(OC)c2)n2nnnc2N1 10232158 RFELKZFCRMHPLN-KRWDZBQOSA-N 436.384 1.915 0 40 IDAB Cc1ccc(N(CC(=O)NCc2ccco2)C(=O)c2snc(C(N)=O)c2N)c(C)c1 12714849 ZJAWMNXPHQCWBO-UHFFFAOYSA-N 427.486 1.997 0 40 IDAB CCN1C(=O)[C@H](NC(=O)C(=O)NC[C@H]2CCCN2CC)c2cc(Br)ccc21 13624069 PLBGGYHBAOLZIC-CZUORRHYSA-N 437.338 1.573 0 40 IDAB CC(C)N1CCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 19447973 FCCXTESTXGAZNA-SBUREZEXSA-N 427.549 1.492 0 40 IDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 19576007 XFNASZKKNLWFAK-KCLUMXDGSA-N 426.561 1.576 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CN3CCCCC3)CC1)C2=O 19699375 DZKNMFNJBUEBDO-UHFFFAOYSA-N 447.580 1.032 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccc(OC)cc3)C1)C2=O 19699607 ZJIABATWEKVJJY-KRWDZBQOSA-N 442.516 1.623 0 40 IDAB COc1cccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)c1 22908837 JGZUCBVNVXSZBB-UHFFFAOYSA-N 444.557 1.804 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(OC)c1 23107273 KACVLGAUJPKJNA-LJQANCHMSA-N 431.464 1.971 0 40 IDAB CNC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 36821940 QTKGIZWQBLAKJQ-IBGZPJMESA-N 444.557 1.357 0 40 IDAB Cn1c(=O)c2c(nc(NCc3ccco3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 49723391 AKMRKGZXZGQFKX-CQSZACIVSA-N 425.445 1.079 0 40 IDAB CCOC(=O)N1CCC(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)CC1 67300391 SPTROJOPMDKFQL-UHFFFAOYSA-N 442.516 1.491 0 40 IDAB CCN(C)C[C@H]1CCN(c2nc(NCCOC)nc(N3CC[C@H](CN(C)CC)C3)n2)C1 79102979 MYTIRILVWUEGQR-RTBURBONSA-N 434.633 1.486 0 40 IDAB COc1cccc(CCN2C[C@H]3CCN(C(=O)c4cnccn4)CC[C@H]3S2(=O)=O)c1 96145505 REURVRNFSDOQAP-YLJYHZDGSA-N 430.530 1.594 0 40 IDAB CN(C)S(=O)(=O)N1CCN(C(=O)Cn2cccc3cc(-c4ccc(F)cc4)nc2-3)CC1 100726162 IPKQZJCFOFODDQ-UHFFFAOYSA-N 445.520 1.745 0 40 IDAB COc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 101352885 RKIWEYVLCSJPEV-MOPGFXCFSA-N 437.412 1.398 0 40 IDAB Cc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 224462250 ZKAXJYMBPCZOBA-UHFFFAOYSA-N 448.541 1.898 0 40 IDAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(O)c1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3cccc(O)c3)C(=O)[C@@H]12 245231356 CEYMZESSFHGLPA-APNJTCTJSA-N 430.416 1.825 0 40 IDAB CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@H](O)[C@@H](N(C)C(=O)CCN2CCCCC2)C1 257201691 AIOZKOCFNJWFML-ZCAIMPEWSA-N 445.604 1.669 0 40 IDAB CCc1noc(CCC(=O)N2CCN(C)[C@H](C(=O)NCc3ccc4c(c3)CCCO4)C2)n1 257312174 UMTOZGMJWMHVRZ-SFHVURJKSA-N 441.532 1.349 0 40 IDAB COc1ccc(-c2cc(N3CCN(C(=O)Cn4nc(C5CC5)ccc4=O)CC3)ncn2)cc1 575620431 QXPLLRMORMYXAO-UHFFFAOYSA-N 446.511 1.935 0 40 IDAB Cc1cccc(CN2CCO[C@H]3CN(S(=O)(=O)c4ccc5c(c4)OCCO5)C[C@@H]32)n1 2056223407 KAKPJCWHJWLQRA-RXVVDRJESA-N 431.514 1.435 0 40 IDAB Cc1ccccc1OC[C@@H](O)Cn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 625751 FNJYRRDEWRADDA-INIZCTEOSA-N 427.505 1.916 0 40 IDAB CCOC(=O)[C@]1(Cc2ccc(O)cc2)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@H]21 4354314 CLJUXOSYNIMXSO-KEXUJGGDSA-N 426.444 1.951 0 40 IDAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1cccs1 8684567 UTWAMZSGLRNSST-CQSZACIVSA-N 443.934 1.181 0 40 IDAB CCn1c(SCC(=O)NCC(C)C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9093026 DTMUPRTUEVQXOM-UHFFFAOYSA-N 440.591 1.941 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)NC)n2C)c1 9440202 UBBMAFJPWAEZAM-UHFFFAOYSA-N 440.551 1.060 0 40 IDAB C[C@H](Oc1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9569996 UUUIWPWXAMLWPR-KRWDZBQOSA-N 435.521 1.861 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1 9844008 NIDAKOJTZLRUEC-UHFFFAOYSA-N 426.498 1.591 0 40 IDAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9871569 BBFPDVFNVVXZTN-UHFFFAOYSA-N 429.498 1.852 0 40 IDAB CCOc1cccc2c(C)nc(Nc3nc(CSc4nnnn4C)cc(=O)[nH]3)nc12 9938902 NTQHHSORQWTLJT-UHFFFAOYSA-N 425.478 1.980 0 40 IDAB Cc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n(C)c(=O)n2C 10216313 YMTLLRQZKHHVPR-UHFFFAOYSA-N 428.470 1.443 0 40 IDAB O=C(NCCCc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 10219713 FQZZGFVAHKZHSQ-UHFFFAOYSA-N 438.509 1.988 0 40 IDAB Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 12140226 KIOAMXIDKSPAMG-LJQANCHMSA-N 449.504 1.304 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)N3CCCC[C@@H]3C)CC1)CNC2=O 19496286 HMSDJXAAJZACEV-QMHKHESXSA-N 429.517 1.970 0 40 IDAB C[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1 19575412 WTIYMRPHCOEMGX-TZMCWYRMSA-N 437.493 1.278 0 40 IDAB CN1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)n2c(=O)[nH]c3ccccc3c2=O)CC1 24985354 NXCBMQBUNMDVLW-NRFANRHFSA-N 431.496 1.729 0 40 IDAB CSc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1C(=O)N1CCC(C)CC1 26119421 ZVJOVGJQMQFFHL-UHFFFAOYSA-N 425.576 1.743 0 40 IDAB Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(OCC(=O)N3CCc4ccccc43)cc1)NC(=O)N2 32094798 PCKZIFLBXHSRAI-LJQANCHMSA-N 447.451 1.266 0 40 IDAB CN(C(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)[C@H]1CCS(=O)(=O)C1 33325378 LGVFNYAPAORADA-QWHCGFSZSA-N 443.572 1.230 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1OC 38849010 JWEHPJQQTTZKNB-LJQANCHMSA-N 434.514 1.980 0 40 IDAB Cc1cc(C(=O)N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(Br)cc3)CC2)on1 40122777 AAQBYORUWNGLEY-CYBMUJFWSA-N 449.305 1.848 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 57352194 QVKLYTDLLJLZSH-UHFFFAOYSA-N 436.965 1.468 0 40 IDAB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1cccc(NC(=O)c2ccco2)c1 58218542 OSOODBQNWGJYHG-QZTJIDSGSA-N 431.514 1.913 0 40 IDAB CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)C1 72280659 YKYITWJETCCBSL-CQSZACIVSA-N 436.559 1.819 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)NC[C@@H]1Cc2ccccc2O1 72326218 YYMICIGBWHDUSV-HJPURHCSSA-N 435.484 1.066 0 40 IDAB COc1ccc(-c2nn(CCCC(=O)NCCCN3CCOCC3)c(=O)cc2OC)cc1 96100933 ZUSYOGODHHBUKQ-UHFFFAOYSA-N 444.532 1.546 0 40 IDAB O=C(c1cnn2c1CCCC2)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 225607225 CVPOAXWARZUISK-UHFFFAOYSA-N 432.531 1.371 0 40 IDAB COCCN1C(=O)CN(C2CCN(CC(=O)Nc3nc4ccc(C)cc4s3)CC2)C1=O 244986298 JOZHJILHLCDENU-UHFFFAOYSA-N 445.545 1.918 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)C1 260408703 JQPXZGLOUJUWDQ-JKSUJKDBSA-N 438.550 1.052 0 40 IDAB O=C(c1ccco1)N1C[C@H]2[C@@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccn1 306124580 BTXCRARMCKWSKO-DOTOQJQBSA-N 426.454 1.546 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)C1=O 390831896 VTYBXLFICNTMDY-UHFFFAOYSA-N 437.444 1.964 0 40 IDAB CO[C@H]1CN(C(C)=O)CCCN(C(=O)c2ccccc2C)CCCCOC[C@H](O)[C@@H]1O 643913492 ZSZCKFSLOFAPIR-FKBYEOEOSA-N 436.549 1.223 0 40 IDAB COc1cc2c(cn1)N(C)C(=O)[C@@H](NC(=O)c1nc3n(n1)[C@H](c1ccccc1)CC3)CC2 1772820555 JXFYROJRZJPKTQ-IRXDYDNUSA-N 432.484 1.925 0 40 IDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)cc1 1363428 XJLFPKSRXPRYMQ-HNNXBMFYSA-N 443.591 1.396 0 40 IDAB CCOC(=O)NC(=O)c1cn(N(C)c2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O 3116924 MMOOIYBJNFURFU-UHFFFAOYSA-N 435.746 1.390 0 40 IDAB CSCC[C@@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 3874396 PRQROPMIIGLWRP-KURKYZTESA-N 437.562 1.197 0 40 IDAB in-vitro COc1ccccc1OCCNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 8965479 FTDFWFVJUHLTTH-INIZCTEOSA-N 429.498 1.804 0 40 IDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 9420930 MYNLMWHOAKVPJI-UHFFFAOYSA-N 444.495 1.864 0 40 IDAB COCCCNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 9672087 RGFZUNRKYPHERE-GFCCVEGCSA-N 435.340 1.673 0 40 IDAB CC(C)CN(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 9792304 LKKCUGRZMFSWHR-KKSFZXQISA-N 433.530 1.052 0 40 IDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)N1CCN(C(=O)c2cccs2)CC1 9792394 LTMGXOHVWYBAMA-MRXNPFEDSA-N 426.498 1.196 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1 9883329 RBPNXYSKJHLSFK-UHFFFAOYSA-N 437.449 1.553 0 40 IDAB CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 10265743 MOOSXUSSACJKLN-UHFFFAOYSA-N 435.477 1.703 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1cn3ccccc3n1)n2C 12541455 KIYDMNNKUIVZBA-UHFFFAOYSA-N 440.529 1.720 0 40 IDAB CS(=O)(=O)c1ccc(N2CCN(CCOc3ccccc3)CC2)c(S(C)(=O)=O)c1 12554702 KQLYBJGCGYRVKJ-UHFFFAOYSA-N 438.571 1.695 0 40 IDAB COCCN(C(=O)/C=C/c1cccc(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13149728 ZGIWUUQWVDXPFJ-ZHACJKMWSA-N 438.459 1.999 0 40 IDAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 14244416 DLZDEQBQAWCLEM-UHFFFAOYSA-N 444.557 1.642 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 14412177 MXIXOGFXBNKJOR-UHFFFAOYSA-N 449.529 1.785 0 40 IDAB O=C1CCOC[C@]2(CN(C(=O)c3cc4ncccn4n3)C[C@H]2c2ccc(F)c(F)c2)N1 19404542 HJWRPAKPAUYQJQ-QKKBWIMNSA-N 427.411 1.522 0 40 IDAB CS(=O)(=O)N(Cc1nnc(SCC(N)=O)n1-c1ccccc1)c1ccc(F)cc1 20193919 QHVFXFVESPPPGL-UHFFFAOYSA-N 435.506 1.950 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1nc(-c2ccccc2)no1 23818404 IBHAYXIUJXVWGC-UHFFFAOYSA-N 427.413 1.893 0 40 IDAB COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)c2ccccc2)N2CCOCC2)cc1 32969184 DPACNILPOHARFR-NRFANRHFSA-N 447.557 1.553 0 40 IDAB CC(=O)N1c2ccc(S(=O)(=O)N3CCC(NC(=O)c4ccncc4)CC3)cc2C[C@@H]1C 36395787 WVQFKNZFFFVRSY-HNNXBMFYSA-N 442.541 1.962 0 40 IDAB O=C(NCc1cccc(OCc2ccccn2)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 48367336 AGSGVCBEMWDBAO-IEBWSBKVSA-N 443.525 1.312 0 40 IDAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C[C@H]3CCCO3)cc2c1 57674872 YJMPNNODMLNRCM-LJQANCHMSA-N 426.521 1.695 0 40 IDAB COC(=O)c1cnc(N(C)Cc2cc(C)ccc2OC)c(S(=O)(=O)N2CCOCC2)c1 95353022 XJDGSDLTMAHKIR-UHFFFAOYSA-N 449.529 1.843 0 40 IDAB CC(C)c1ccc(Cn2nccc2NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 95444227 WZBCCGNLXMLUGL-IBGZPJMESA-N 440.592 1.993 0 40 IDAB Cc1c(NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(=O)n(-c2ccccc2)n1C 101875033 YVBUSFOMMUZDBT-LAQRGFTBSA-N 435.484 1.413 0 40 IDAB aggregator C[C@@H]1CN(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)C[C@@H](C)O1 109023766 DONFSMQVLUPKAD-BZUAXINKSA-N 428.530 1.124 0 40 IDAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 224216115 XMIURTUQCMUXOK-UHFFFAOYSA-N 428.532 1.611 0 40 IDAB Cc1cc(C)c2[nH]c(CCC(=O)N3CC[C@@](C)(O)[C@H](n4ccc(O)nc4=O)C3)nc2c1 257279339 OGDSGGNWRWUMFE-OPAMFIHVSA-N 425.489 1.599 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 260949546 XSHKIAJCKONZGB-CQSZACIVSA-N 440.543 1.597 0 40 IDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408709669 FCXLYDLPILASTH-OAHLLOKOSA-N 425.441 1.579 0 40 IDAB CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 507919275 IUXYZDGJIZGMKU-OAHLLOKOSA-N 446.481 1.878 0 40 IDAB CCCCN(CC(N)=O)C(=O)c1c[nH]c2ccc(I)cc2c1=O 533212859 YINXWNIRONSHTL-UHFFFAOYSA-N 427.242 1.860 0 40 IDAB O[C@H]1CO[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1NCc1ccc(C(F)(F)F)cc1 1549160254 BVRJYQASIASESH-IPMKNSEASA-N 441.454 1.047 0 40 IDAB Cc1ccc(NC(=O)CCNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 2140627 IXNXMPGKKJPONP-KWXDATOUSA-N 434.489 1.836 0 40 IDAB biogenic O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCN(c2ncccn2)CC1 9245187 LPIUTXJRRTYZOZ-GIJQJNRQSA-N 441.557 1.838 0 40 IDAB COc1cn(-c2ccccc2)nc1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 9640303 XWEBQHQAJWHPRU-UHFFFAOYSA-N 427.438 1.882 0 40 IDAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)NCCc1ccccc1 9661791 WDTJIMKLKLDYJE-UHFFFAOYSA-N 432.498 1.692 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2C)cc1 9806867 URKJNFORTYXADZ-GOSISDBHSA-N 445.541 1.589 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 10216626 SJWDWGSGUKIIHK-IRXDYDNUSA-N 441.484 1.768 0 40 IDAB Cc1csc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3CC(C)C)n1 10659285 GEYFFXNUINZDCI-UHFFFAOYSA-N 434.547 1.950 0 40 IDAB COc1ncc(C2(O)C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc3c(c2)OCO3)c(OC)n1 12155984 LLDZXZISOVVLAX-SZLXDWMPSA-N 427.457 1.806 0 40 IDAB O=S(=O)(NCCNS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1 12406916 LQHJBYYLRHGOJB-UHFFFAOYSA-N 432.936 1.602 0 40 IDAB O=C(CNCCCN1CCOCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 12587869 UMOWACQENIKNMK-UHFFFAOYSA-N 430.471 1.792 0 40 IDAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)c1cccc(N2CCCC2=O)c1 12997737 UJWPORVHFFBNMA-CQSZACIVSA-N 448.570 1.894 0 40 IDAB O=S1(=O)C[C@H](NCc2ccc3c(c2)OCO3)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 13371486 IHXLDZDPCFUFEZ-YJBOKZPZSA-N 427.475 1.284 0 40 IDAB CS(=O)(=O)N1CCC(C2CCN([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)CC1 15080485 JZRYVFKQEBEEFQ-HXUWFJFHSA-N 433.574 1.698 0 40 IDAB COc1ccccc1N1CCN(C(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)CC1 15673619 RRALAFNAKBKOMN-UHFFFAOYSA-N 430.486 1.500 0 40 IDAB C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16033980 BBRJAESPJYCZMT-HZTDAHSYSA-N 427.407 1.266 0 40 IDAB CCCN1CCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccc(C)cc2N3)CC1 19503376 RSBGXDFKNPTOBA-MHECFPHRSA-N 441.576 1.802 0 40 IDAB C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1 19575408 PETSVBLVTKYGSC-CHWSQXEVSA-N 437.493 1.278 0 40 IDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCN4CCOCC4)nn12)CC(C)(C)OC3 20533448 XSKCKBWPCQWUFK-UHFFFAOYSA-N 430.534 1.561 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)c(OC)c1 22766237 FTADONOGKKHOEF-GOSISDBHSA-N 432.546 1.809 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(CCOc3ccccc3)CC1)C2=O 23249053 MOJXDLUKEVQMDT-UHFFFAOYSA-N 443.548 1.215 0 40 IDAB O=C(CN1CCN(C(=O)N2CCCCC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 23662820 IJXSQDVBQMEYOD-UHFFFAOYSA-N 431.493 1.329 0 40 IDAB Cc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O 27974432 GKCKONMSJMUUEQ-UHFFFAOYSA-N 431.514 1.872 0 40 IDAB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(-n2cnnn2)cc1 32960727 NWPGGHYGWLPNAS-UHFFFAOYSA-N 440.407 1.988 0 40 IDAB COC(=O)C[C@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccc(Br)cc1 58490092 AONVSJHZJGKGEO-AWEZNQCLSA-N 438.278 1.487 0 40 IDAB Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC1)O2 72328090 OYBMJQRZKQOYGH-MCFFVMPBSA-N 448.541 1.403 0 40 IDAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 72394897 RSBYMKVOJDFEBD-CRAIPNDOSA-N 425.485 1.885 0 40 IDAB NC(=O)c1ccc(NC(=O)CN2CCN(CCn3ccnc3-c3ccccc3)CC2)cc1 77159565 OGVLSKOTYDRBBZ-UHFFFAOYSA-N 432.528 1.905 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2ccccc2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 83260821 KJHQVFWBNCVROC-FDKIHUSFSA-N 437.445 1.030 0 40 IDAB biogenic O=C([C@H]1CSc2nccc(=O)n2C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 90609922 ILPJILDLGCVWIH-GFCCVEGCSA-N 425.436 1.728 0 40 IDAB CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)CC1 96118519 IWFGTBANDHAOLO-KRWDZBQOSA-N 430.505 1.619 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)O[C@@H](C(=O)N2CCCC2)Cn2ccnc23)cc1 96144855 HQPBZCNHRLBCBN-LJQANCHMSA-N 444.557 1.893 0 40 IDAB COc1cccc(CNC(=O)C[C@@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)c1 102420554 VRVNUNWXBZTQOF-SFHVURJKSA-N 448.479 1.346 0 40 IDAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(S(C)(=O)=O)cc1 219267961 OKOYQHVPLIBMGC-WBVHZDCISA-N 431.580 1.176 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1N1C(=O)CCC1=O 225282670 KMAYESCINOTNRA-ZDUSSCGKSA-N 432.454 1.467 0 40 IDAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@H]4[C@@H]5C(=O)N(C)C[C@@]56C=C[C@H]4O6)C3)cc2n1 248098769 ZJPCJEXVHIGRJL-YCSMYBEFSA-N 437.500 1.115 0 40 IDAB Cc1occc1C(=O)N1CCc2nc3n(c(=O)c2C1)CC[C@@]31CCN(C(=O)NC(C)C)C1 306124782 BZJNOQWHHUZMDV-HSZRJFAPSA-N 439.516 1.808 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408659742 MVIJSNNZSCSTFG-YXUGBTPSSA-N 428.441 1.376 0 40 IDAB O=C(O)c1cccc(C(=O)N2CC3(CN(C(=O)Cc4ccccc4)C[C@H]4C[C@@H](O)CN43)C2)c1 514290094 SQOBWLFKNRVDTJ-NHCUHLMSSA-N 449.507 1.100 0 40 IDAB biogenic,in-vitro CC(=O)N1CCC(C(=O)NS(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C(C)C)O3)CC1 585281628 NOPYBWVCNZJAEF-GOSISDBHSA-N 437.518 1.414 0 40 IDAB CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(F)(F)C2)cc1F 610795010 ZSQPOWQFCZOQOL-ZYHUDNBSSA-N 429.395 1.750 0 40 IDAB CC(=O)NCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1706059029 VFIIPXCKNSUIQK-KRWDZBQOSA-N 434.566 1.237 0 40 IDAB Nc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)[nH]c(=O)c1NC(=O)c1ccco1 2712525 JBCNLEXXJZZZRE-UHFFFAOYSA-N 429.414 1.657 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)O 8790979 HQMVLGSYKQQKMW-YBJLUAFYSA-N 433.530 1.765 0 40 IDAB biogenic O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N=c1[nH]c2ccccc2[nH]1 8992780 UYGSSGBYOKHKNO-OAHLLOKOSA-N 441.513 1.140 0 40 IDAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 9429112 JDBKDWQSEAARNV-QFIPXVFZSA-N 434.456 1.339 0 40 IDAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 9545902 GKDOACBJKLKKIV-HNNXBMFYSA-N 439.921 1.696 0 40 IDAB O=C(NCCCc1ccccc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(F)cc1 9600220 QUIUGWHDWDZGHL-LJQANCHMSA-N 449.504 1.038 0 40 IDAB CNS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 9703887 SAYFVFMSRBDELX-UHFFFAOYSA-N 449.510 1.919 0 40 IDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(OC)cc3)c(=O)n12 9730547 VHLUQZNUIQOUOE-ZBZZQJLTSA-N 436.489 1.868 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(OC)c(OC)c3)C2=O)cc1 9835880 RTYYFXIMHRVRMH-MOPGFXCFSA-N 439.428 1.644 0 40 IDAB C[C@@H]1C[C@H](Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C(=O)O1 9871011 KMBMWDXHEFUZNW-RISCZKNCSA-N 425.488 1.554 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)s1 10678870 MXJLBPQBBYFYEB-UHFFFAOYSA-N 429.545 1.362 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1=O 10803052 FWWMRMLFTKSPLB-FQEVSTJZSA-N 428.470 1.121 0 40 IDAB COc1ccc2c(c1)NC1(CCN(C(=O)Cn3nc(C)c(C)c3C)CC1)NS2(=O)=O 12142596 WYJULSJSSSOXQX-UHFFFAOYSA-N 433.534 1.540 0 40 IDAB Cc1ccc2nc(C)c(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)n2c1 12180788 PCVDKKFFKXFIGI-UHFFFAOYSA-N 442.497 1.585 0 40 IDAB CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 12276935 SMWDBPKQNHBCGZ-DGTMBMJNSA-N 433.301 1.047 0 40 IDAB C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 12767400 UHEIRMRCKHGZAA-DARAHFNDSA-N 428.441 1.668 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCN3CCOCC3)cc2)cc1 13585224 FADZRJVRNWCROF-UHFFFAOYSA-N 447.557 1.647 0 40 IDAB CCOC(=O)c1c(NC(=O)CN2CCC[C@@H](C(=O)OCC)C2)sc(C(=O)NC)c1C 14183139 WUEJUBXMUMAFEW-CYBMUJFWSA-N 439.534 1.806 0 40 IDAB O=C(c1cccnc1O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 14187628 ZHFSKIAHEHSFIN-UHFFFAOYSA-N 426.292 1.696 0 40 IDAB CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1n1nc(-c2ccc(C)cc2)n(C(C)C)c1=S 17051973 VNGSVSLXZFOYFJ-LVEJAMMSSA-N 436.534 1.087 0 40 IDAB Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@]1(C3)C(=O)NC(=O)N=C1O 18176410 FTJWRGBHGALMTH-INIZCTEOSA-N 429.436 1.856 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 18821770 PRQVKFFDCABAAB-MRXNPFEDSA-N 431.489 1.712 0 40 IDAB CC(=O)N1CCC(c2cc(CN(C)C)n(CCNS(=O)(=O)C3CCCC3)n2)CC1 19709105 QCHSHUIYPKJPPA-UHFFFAOYSA-N 425.599 1.533 0 40 IDAB COc1ccccc1NC(=O)CS(=O)(=O)CC(=O)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 19951425 CXFQEXNGHTYBFB-ZDUSSCGKSA-N 446.481 1.675 0 40 IDAB CCOC(=O)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CCN1CCC[C@H]1C(N)=O 20462798 TYSRCCUVCIPABN-ACRUOGEOSA-N 429.561 1.987 0 40 IDAB biogenic,in-vitro Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)C2=O)cc1C 22528137 PDSIEGCFRMBVEG-DENIHFKCSA-N 449.507 1.920 0 40 IDAB C[C@@H](OC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C(=O)Nc1ccc2c(c1)OCO2 23818819 RHSJNJKMJYRHSV-DMZKTXOQSA-N 439.424 1.753 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)CN1CCC(C(=O)NCC(F)(F)F)CC1)CC2 27780210 JSDOXCMEQLIMRF-UHFFFAOYSA-N 443.466 1.979 0 40 IDAB O=C(CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)NC[C@H]1COc2ccccc2O1 32759660 NNXDIHGFYPPRGA-IBGZPJMESA-N 442.491 1.338 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)c1 35432603 GWUJNZWDJMWFJM-UHFFFAOYSA-N 447.488 1.943 0 40 IDAB CC(=O)N1CCC(N2C[C@@H](C(=O)NC(C)(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)CC1 72334495 OZZTZCDOYCPJGH-GBXCKJPGSA-N 426.561 1.569 0 40 IDAB Cc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)NC4CC4)[C@H]4C=C[C@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 100432036 PMOHSBMXAZPEMG-SDYYUIKVSA-N 449.551 1.983 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)CSCC(=O)Nc2cc(C)on2)sc2ccccc21 100825529 ZAZMELLMISRBCK-ZZEZOPTASA-N 434.499 1.971 0 40 IDAB CCc1ccccc1N1C[C@H](C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1=O 103263181 KPUVJYRSLBRSAI-QYZOEREBSA-N 434.558 1.797 0 40 IDAB O=C1CCc2cc(S(=O)(=O)NCC3CCN(C4CCOCC4)CC3)cc3c2N1CC3 225564998 OSNKXAXKJTUGSE-UHFFFAOYSA-N 433.574 1.691 0 40 IDAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(C)=O)s3)n2)cc1 225702736 RWLKEWVLZTXPRL-UHFFFAOYSA-N 438.491 1.766 0 40 IDAB C[C@@]1(C(=O)N2CCOCC2)CN(CC(=O)Nc2ncc(Cc3ccccc3)s2)CCO1 257202337 ALIGSPUZRULQFZ-QFIPXVFZSA-N 444.557 1.622 0 40 IDAB NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)CC1 408558745 SKUSJHJCTQBRIZ-UHFFFAOYSA-N 443.525 1.541 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1 3318662 CFFKPBZKIGGHJF-UHFFFAOYSA-N 431.470 1.056 0 40 IDAB CCN1C(=O)[C@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(CCOC)c(=O)c32)c2ccccc21 9189910 VXICMKJMELCVAJ-HSZRJFAPSA-N 439.468 1.191 0 40 IDAB COCCNC(=O)[C@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 9484742 HGRLBDKUJRMARY-GTPINHCMSA-N 425.551 1.039 0 40 IDAB COc1ccccc1C(=O)NCCc1nnc(SCC(=O)Nc2nnc(C)s2)n1C 9615145 NSOVFFVWTLZEIF-UHFFFAOYSA-N 447.546 1.687 0 40 IDAB CC(=O)N1CCN(C(=O)CN2CCC3(CC2)Nc2cc(Cl)ccc2C2=NCCN23)CC1 12086123 RWEBCEIGUGXDIQ-UHFFFAOYSA-N 444.967 1.311 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](c2cn(C)nc2C)NS(=O)(=O)N1C 12131325 RVRRFXYTTKGWNI-UKRRQHHQSA-N 427.914 1.609 0 40 IDAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(C(=O)N2CCCCC2)CC1 12782174 PKKWVFHAGLMNHS-UHFFFAOYSA-N 448.589 1.837 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)cc1 12922079 NOFHREWBPPZNQI-HNNXBMFYSA-N 443.529 1.699 0 40 IDAB CN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 13691958 HLFAHLKVGSIOAQ-IBGZPJMESA-N 429.542 1.862 0 40 IDAB CC(=O)N[C@H](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 14180861 RXPKRBPTGTXTQK-HXUWFJFHSA-N 431.514 1.914 0 40 IDAB CC(C)NC(=O)[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)C[C@@]12Cc1ccccc1C(=O)N2 19449802 CNHVRDWUQCTIEA-BKSPAHHJSA-N 434.540 1.264 0 40 IDAB COc1ccc(S(=O)(=O)[C@H]2CCO[C@H](CCNC(=O)c3cn4cccnc4n3)C2)cc1 19712044 NPJQDAHDJUHLHD-AEFFLSMTSA-N 444.513 1.879 0 40 IDAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 22787152 AURXXRHCEDFPCC-CQSZACIVSA-N 441.513 1.630 0 40 IDAB COc1cccc([C@H](CNC(=O)C(=O)Nc2cccc(NC(C)=O)c2)N2CCOCC2)c1 23107171 PQZVQUKPRMNMFB-NRFANRHFSA-N 440.500 1.782 0 40 IDAB CN(C)C(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c2ccccc2O1 26870087 OGCXOMWWEXLOLZ-IBGZPJMESA-N 446.529 1.306 0 40 IDAB CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2N2CCC3(CC2)OCCO3)cc1 36585719 RDPMIBMNKRHKNC-QZTJIDSGSA-N 429.560 1.027 0 40 IDAB CC(C)C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCOCC1 40072735 IMBADQSSJBXBFC-IBGZPJMESA-N 438.594 1.345 0 40 IDAB CCOCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 57389495 SUHANRRZMOOZAE-UHFFFAOYSA-N 446.939 1.435 0 40 IDAB Cc1cc(CN2CCc3c(nc(N4CCOCC4)[nH]c3=O)C2)c(C)n1C[C@H]1CCCO1 72335529 FFXGULYZLHTTLI-LJQANCHMSA-N 427.549 1.762 0 40 IDAB Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)cc1 84160362 ZZQJVUKGEWHUHS-UHFFFAOYSA-N 441.553 1.894 0 40 IDAB COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(Cc2nnc3n(C)c(=O)c4ccccc4n23)C1=O 89741014 KSJGBLHTQRQOMB-QHCPKHFHSA-N 444.451 1.483 0 40 IDAB CC(C)[C@@H](C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)N1CCCS1(=O)=O 95430624 VIPOWBUGBKHXRN-LRDDRELGSA-N 439.361 1.909 0 40 IDAB O=C(Nc1c[nH]c(=O)[nH]c1=O)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 96124070 CQIHUIYHIWCEFE-HNNXBMFYSA-N 431.456 1.652 0 40 IDAB CC(C)CS(=O)(=O)N1CCC2(CC1)CC1(CCN(C(=O)N(C)C)CC1)C(=O)N2C 96262371 UAEHBGSLURPXSG-UHFFFAOYSA-N 428.599 1.433 0 40 IDAB C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccco5)[C@H]34)[C@@H]2C1=O 101261718 KZQAKQMIKBMOJN-RJZORVHISA-N 446.506 1.976 0 40 IDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 101503772 DTLWWGXQJYGKEB-IJEWVQPXSA-N 448.994 1.728 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccc(OC)cc3)no2)ccc1OC 223905564 NTJKRTGEGORCGY-UHFFFAOYSA-N 446.485 1.982 0 40 IDAB COc1cccc(-c2noc(CNS(=O)(=O)c3nnc(NC(=O)C(C)C)s3)n2)c1 225250303 DOYZRGJDJKSQOM-UHFFFAOYSA-N 438.491 1.670 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4Cc5ccccc5C4)C3)C2=O)cc1 225388458 QGIVONORAOWJNL-GGAORHGYSA-N 447.535 1.221 0 40 IDAB biogenic,in-vitro CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(C)(=O)=O 225423082 JPHGXKRHFABYBJ-CQSZACIVSA-N 439.484 1.894 0 40 IDAB CC1CCN(c2cc(N3CCOCC3)nc(NC(=S)NCCN3CCOCC3)n2)CC1 225903690 CBSANTAWXRWAMZ-UHFFFAOYSA-N 449.625 1.168 0 40 IDAB Cc1cn([C@@H]2CN(C(=O)Cn3c(C(C)C)nc4ccccc43)CC[C@@]2(C)O)c(=O)nc1O 257235962 HAGXICZRMFOSJU-WZONZLPQSA-N 439.516 1.955 0 40 IDAB CN1CCCN([C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]2O)CC1 257332889 XZFJGBDULBAXAT-VXKWHMMOSA-N 446.636 1.811 0 40 IDAB O=C(c1ccno1)N1C[C@H]2[C@@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccc1 306144461 ZGBJGVPEYMQOKS-DOTOQJQBSA-N 426.454 1.546 0 40 IDAB CC(=O)N1CCN(C(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)CC12CCCCC2 535742235 MIMLWUHGSDTMLC-UHFFFAOYSA-N 425.489 1.839 0 40 IDAB O=C(CN1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1)N1CCCC1 2055719485 PTSKRSGXLWLYKZ-CVDCTZTESA-N 426.565 1.144 0 40 IDAB C[C@@]1(C(=O)N2CCC3(CC2)O[C@H](C(=O)N2CCOCC2)Cn2ccnc23)CC=CCC1 2055793471 IPDRULHDIOMMRW-PGRDOPGGSA-N 428.533 1.705 0 40 IDAB CCOCCCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 9442407 CRPKXFGPWGMYAM-JOCHJYFZSA-N 426.473 1.859 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2ccc(C)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 9636798 QHNUAZWNAPSBQV-XIYVOTBMSA-N 437.445 1.030 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2cccs2)c1 9807235 AEAPJQBOOXWGNQ-INIZCTEOSA-N 435.571 1.951 0 40 IDAB COc1cccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc(OC)c(OC)c4)cnc32)c1 9857648 GMWWFRWMDIJWLP-UHFFFAOYSA-N 436.428 1.642 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)c(C)n23)n(C)c1=O 10271890 FEKZOBVWIZAVMY-UHFFFAOYSA-N 439.472 1.717 0 40 IDAB O=C(COc1ccc(F)cc1)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1 12163222 ZXXRMRAEHLYOOC-UHFFFAOYSA-N 436.509 1.258 0 40 IDAB CCOC(=O)COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1OC 12413389 IMILJZHJQOPZSW-UHFFFAOYSA-N 435.502 1.543 0 40 IDAB C[C@@H](O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(=O)O 12759042 LCVOEJJLTFTRGA-QMTHXVAHSA-N 438.424 1.056 0 40 IDAB CSCc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)o1 12987732 SMRLUZRVGWTDDC-UHFFFAOYSA-N 428.561 1.558 0 40 IDAB COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)N(C)Cc1ccccc1 13691987 QJGWIXSFAFLESZ-CQSZACIVSA-N 438.527 1.828 0 40 IDAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1)c1ccc[nH]c1=O 16851191 OBTBNQBHWUEPIU-UHFFFAOYSA-N 438.513 1.760 0 40 IDAB COc1ccc(NC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)c(OC)c1 18667888 ZWAFKLRTYVGSNH-LBPRGKRZSA-N 440.547 1.540 0 40 IDAB Cc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 19214981 TVFIIZXGDZMSRF-GOSISDBHSA-N 425.514 1.866 0 40 IDAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)NCCCN3CCOCC3)cc12 19824062 JMOSFDWHRRRNPS-UHFFFAOYSA-N 446.617 1.926 0 40 IDAB COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)cc1OC 20015952 ANSUYRQLRGRJRX-UHFFFAOYSA-N 426.466 1.788 0 40 IDAB O=C(NCCCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20460208 MHCIVHIRWFSBET-NRFANRHFSA-N 437.606 1.500 0 40 IDAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1 20575000 IEHVZUCOVVXSEP-UHFFFAOYSA-N 426.433 1.777 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)NCCc1ccccc1 24714831 PQTHQMGYQWKKRM-UHFFFAOYSA-N 430.457 1.002 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 26535011 PTTVZNVUVQCLRK-UHFFFAOYSA-N 429.542 1.964 0 40 IDAB C[C@@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 32777141 MRUHEFQKIBCJFX-GFCCVEGCSA-N 441.893 1.873 0 40 IDAB CCC[C@H](C(=O)NC1CCCC1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2cc(C)on2)[C@@H]3C1=O 35290044 OTJCTTXTJXFQQX-FIEZJVDUSA-N 442.516 1.931 0 40 IDAB C[C@H]1O[C@H]2OC(=O)[C@]3(C)CC4=C(CO)C5=C(CC(=O)[C@@]4(C)[C@@H](C1=O)[C@H]23)C(C)(C)OC(=O)C5 35457823 JIEVZPUBUDASNE-LYVJOKLLSA-N 444.480 1.790 0 40 IDAB biogenic,in-vitro C[C@@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccc(S(N)(=O)=O)cc1 36398092 COKHTYQNUPHFRN-MRXNPFEDSA-N 432.546 1.727 0 40 IDAB C[C@]1(c2cccc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)c2)NC(=O)NC1=O 40111196 TULLARGKWHFAIF-HXUWFJFHSA-N 427.461 1.325 0 40 IDAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4cc(F)ccc4F)cnc32)c1 44837178 ZXDKZZHULFNPFE-UHFFFAOYSA-N 426.383 1.962 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 44901648 BTJUQZFVFLRTEC-KRWDZBQOSA-N 448.453 1.426 0 40 IDAB COc1ccccc1N1CCN(C(=O)Cn2nc3ccc(-c4ccccc4)nn3c2=O)CC1 49399289 ODPADMMGQITSHY-UHFFFAOYSA-N 444.495 1.915 0 40 IDAB CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 72260198 MBWARBSGVIQLCC-UHFFFAOYSA-N 438.532 1.505 0 40 IDAB CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NS(=O)(=O)c2cccc(Cl)c2)C1=O 79105810 HVTANMRNFLZRHN-UHFFFAOYSA-N 436.877 1.634 0 40 IDAB CCc1ccccc1-n1cnnc1SCC(=O)NC1CCC(C(=O)NC(N)=O)CC1 79105945 CXOCDIKBMMREEI-UHFFFAOYSA-N 430.534 1.792 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1 96104269 KMDGGMYGQJSTTA-UHFFFAOYSA-N 440.518 1.406 0 40 IDAB COc1cccc(CN2C[C@@]34CN(C(=O)c5cccnc5)C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 96145947 SNHUAMSUMJOEKZ-DYXWJJEUSA-N 429.498 1.288 0 40 IDAB CCOC(=O)CCN(Cc1cccnc1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 96999458 JKMGRLQVGMBGEE-QHCPKHFHSA-N 438.484 1.831 0 40 IDAB CCOC(=O)c1[nH]c(COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C(=O)OCC)c1C 102280856 LQNZICPGZHUVFC-ZIAGYGMSSA-N 448.472 1.895 0 40 IDAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 222947983 SFQQPTPLSYMECF-FQEVSTJZSA-N 446.573 1.853 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1=O)Cc1ccccc1 225142714 BZPDQKJGZLZQAI-UHFFFAOYSA-N 429.542 1.887 0 40 IDAB CNS(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c1 226860604 XOQDCSJYITZVTM-UHFFFAOYSA-N 434.879 1.756 0 40 IDAB CC(C)Cc1nc2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(O)nc2=O)C1 257237202 HFOCDONZNRFXQM-WZONZLPQSA-N 439.516 1.722 0 40 IDAB COc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1S(=O)(=O)NC(C)C 500156338 RBNFYMCJJCWIOK-LJQANCHMSA-N 431.514 1.695 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575422097 MEOAWNKAIDYAJI-JKSUJKDBSA-N 426.516 1.374 0 40 IDAB O=C(NCC1CCCCC1)c1nnc2n1CCN1CCN(C(=O)Cc3ccccn3)C[C@H]21 585109957 VFHSCAIIHBPVFF-LJQANCHMSA-N 437.548 1.425 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](CO)[C@@H](CCO)C3)c2)cc1 1159697325 NKRMBANLNLUNRH-DLBZAZTESA-N 448.541 1.867 0 40 IDAB FC(F)(F)c1nnc2ccc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)nn12 1889186988 QQTAIZAOHIWFSC-UHFFFAOYSA-N 435.414 1.096 0 40 IDAB CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C 928664 VHDMOEQWXJSULK-UHFFFAOYSA-N 430.486 1.590 0 40 IDAB COc1cc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1-n1cnnn1 1325492 DIYYNFCLNQWFDL-UHFFFAOYSA-N 428.518 1.799 0 40 IDAB CC[C@@H](C)N(C(=O)COC(=O)c1cncc(Br)c1)[C@@H]1CCS(=O)(=O)C1 8824615 YAARNNXVCJLYID-BXUZGUMPSA-N 433.324 1.815 0 40 IDAB CC(=O)N[C@H]1[C@H](Sc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 9033801 VADVOLSTRCVERX-WAPOTWQKSA-N 439.486 1.435 0 40 IDAB biogenic O=C(CNS(=O)(=O)/C=C/c1ccccc1)OCC(=O)N1CCN(c2ccccc2)CC1 9562581 NTBBERPYBCTRGX-LFIBNONCSA-N 443.525 1.469 0 40 IDAB O=C(NC[C@H]1COc2ccccc2O1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 9632380 JOUQKCVSLUPYEZ-AWEZNQCLSA-N 436.461 1.416 0 40 IDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)n1 12142945 MDDNMGCXQTZNJD-UHFFFAOYSA-N 448.527 1.807 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)OCCN3C(=O)c4ccccc4S3(=O)=O)CC2=O)cc1 12771604 DZUATJILESRHDI-HNNXBMFYSA-N 428.466 1.736 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3cc(F)ccc3F)CC2)cc1C(N)=O 12904388 GBCGNSHIVBGPGL-UHFFFAOYSA-N 426.445 1.442 0 40 IDAB CCOC(=O)C1=C(Cn2nnc3ccccc3c2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 13129868 CCLURELADVRLTP-LJQANCHMSA-N 435.440 1.671 0 40 IDAB CC(C)(C)NC(=O)CN(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 13151005 AILDGTWBKNMACE-OAHLLOKOSA-N 429.514 1.026 0 40 IDAB Cc1ccc2c(c1)[C@@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 15967568 FJRWKXNZDUURGR-SPANIYMHSA-N 449.463 1.025 0 40 IDAB COc1ccc(CN(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 15985686 XIQRAKORKSHVFF-UHFFFAOYSA-N 434.514 1.997 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccccc1Br 16248380 DQVQXJAMNLOKMN-UHFFFAOYSA-N 426.292 1.953 0 40 IDAB CCN1CCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cc(Cl)ccc2N3)CC1 19527865 QKOUUJQPUKUSDF-NRFANRHFSA-N 433.940 1.368 0 40 IDAB COc1ccc(CC(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CC3)C4)C2)cc1 19554079 OSKKGWJZJKVQRM-QGZVFWFLSA-N 436.512 1.632 0 40 IDAB CN(C(=O)CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2)[C@@H]1CCS(=O)(=O)C1 19585853 NKCUUUWVXCINET-VFNWGFHPSA-N 434.514 1.049 0 40 IDAB COCCNC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 19593503 XNDOVGNZDJRZOY-RTBURBONSA-N 441.507 1.834 0 40 IDAB Cc1cnc2c(C(=O)N[C@@H]3CCc4ccc(S(=O)(=O)N5CCOCC5)cc43)cnn2c1 19749511 IZICVXSIVBASDS-LJQANCHMSA-N 441.513 1.476 0 40 IDAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2cccs2)cc1C 19821009 POMJDNSJDWHSKX-WMZOPIPTSA-N 429.585 1.837 0 40 IDAB CN1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C(C)(C)C)CC1 19973374 UIXHJFIXIISIIN-GOSISDBHSA-N 425.493 1.335 0 40 IDAB CCN(C(=O)COC(=O)C[C@H](NC(N)=O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 22303314 NSADDBCQOHVURP-WFASDCNBSA-N 445.925 1.018 0 40 IDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 22796358 LVAAHOKQBQCEBG-HXUWFJFHSA-N 442.491 1.656 0 40 IDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 23819692 TZRSMLZHVSLHHG-HSZRJFAPSA-N 438.436 1.959 0 40 IDAB O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607566 COBKKWVHOBAAAL-UHFFFAOYSA-N 443.997 1.720 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 26539170 ZJIFYXMEJPEXIJ-UHFFFAOYSA-N 431.514 1.624 0 40 IDAB O=C(/C=C/c1ccc(Br)cc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 30207000 WCSALRYZFZMDER-VMPITWQZSA-N 428.352 1.947 0 40 IDAB CN1CC(=O)N(CCCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 32739416 PKSZPFUQXLQFEG-UHFFFAOYSA-N 436.534 1.152 0 40 IDAB Cc1ccccc1C(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C(C)C 32817387 FNLROWUYCBVSCI-FQEVSTJZSA-N 444.557 1.678 0 40 IDAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1Cl)C(=O)NCCN1CCOCC1 32927490 WVWUOKQMPZTTTC-QAPCUYQASA-N 431.986 1.790 0 40 IDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCN3C(=O)CCC3=O)CC2)cc1 32930033 ORCZMRSDOZJMGS-UHFFFAOYSA-N 449.573 1.746 0 40 IDAB Cc1ccc(CN2C[C@H](C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2=O)cc1 40160175 SLWOFXCPNGVVFY-GOSISDBHSA-N 426.517 1.714 0 40 IDAB N[C@](OC(=O)C(=O)O[C@](N)(c1ccccn1)C(F)(F)F)(c1ccccn1)C(F)(F)F 95917990 NCBOLAYHSLYFOO-OKILXGFUSA-N 438.284 1.611 0 40 IDAB C[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc2c(c1)OCO2 139092004 CAZRPQLNBNMHIP-DGCLKSJQSA-N 425.445 1.942 0 40 IDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220676858 PGFLOSLDUPJVFP-AWEZNQCLSA-N 427.436 1.597 0 40 IDAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(S(=O)(=O)NC)ccc2C)c1 223017588 NAPBCELOEFJVCI-UHFFFAOYSA-N 441.531 1.462 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)c1 226062842 WWRJIFZXBRFNBI-UHFFFAOYSA-N 443.522 1.443 0 40 IDAB CC(=O)NC1CCN(C[C@@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)CC1 257264530 LUVXQJNTLOLYKN-DEOSSOPVSA-N 430.593 1.056 0 40 IDAB COc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc4c(cc3OC)OCO4)C2=O)cc1 409067736 RAIRCEXTODIWAB-VIZOYTHASA-N 425.397 1.964 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3c4ccccc4CC[C@H]3C(=O)N3CCN(C)CC3)nc2n1 515294010 PNCAPPFVCYBLGW-IBGZPJMESA-N 433.516 1.477 0 40 IDAB CC(C)CC(=O)NC[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)Cc1ccccn1)CC3 585110209 XHFXPRBCRUWFRY-SFHVURJKSA-N 437.544 1.805 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 585286812 IYPBWKDACXJCLQ-OAQYLSRUSA-N 426.485 1.251 0 40 IDAB Cn1c(N2C[C@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@H]3C2)nc2ccccc21 1888896988 WAJGUFAVVNSIJD-CALCHBBNSA-N 431.562 1.140 0 40 IDAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C 4895698 IFAWXFBHEBGLFS-AUFFKQJYSA-N 425.529 1.777 0 40 IDAB CC(=O)NCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 8299033 GGVUMNRVZYUWIY-QFUCXCTJSA-N 442.589 1.533 0 40 IDAB biogenic,in-vitro CCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)c1ccccn1)c(=O)n2Cc1ccccc1 9315084 GIKMMINGXDYIPO-INIZCTEOSA-N 432.484 1.700 0 40 IDAB COc1cccc([C@]2(C)NC(=O)N(NC(=S)NCc3ccc4c(c3)OCO4)C2=O)c1 9315437 IGSOOKSNIGYOBX-FQEVSTJZSA-N 428.470 1.770 0 40 IDAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 9609427 PGFDRTVEISPCCL-HUTHGQBESA-N 428.488 1.401 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)NC4=O)CC2)cc1 11131778 KGSYARARGCCGQP-UHFFFAOYSA-N 443.481 1.618 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC3CCCCC3)nc(-c3ccco3)nc2n(C)c1=O 11758279 SJJYHRZDMVJYLP-UHFFFAOYSA-N 429.502 1.828 0 40 IDAB Cn1ncc2c(=O)n(CC(=O)Nc3ccccc3C(=O)NCCc3ccccc3)cnc21 14772347 QDRAZNFNBVWSPK-UHFFFAOYSA-N 430.468 1.741 0 40 IDAB COc1cc(OC)cc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 15572433 QZKNSFGHWWOKSL-UHFFFAOYSA-N 434.514 1.924 0 40 IDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CN(C(=O)CN3CCCC3)CCO2)n1 19692817 IMQTXSISBGUBEG-LJQANCHMSA-N 438.532 1.304 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)[C@@H]3CC34CCC4)C1)C2=O 19699600 POKVSEBHNJILJD-SJORKVTESA-N 430.549 1.737 0 40 IDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)C1 22132284 DGNFQPUWYDAUAC-PMACEKPBSA-N 439.604 1.949 0 40 IDAB CCOC(=O)N1CCC(NC(=O)C2CCN(c3nc4ccccc4[nH]c3=O)CC2)CC1 22582808 QVOSRNBHVOQBRU-UHFFFAOYSA-N 427.505 1.877 0 40 IDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cn1nc(-c2cccs2)oc1=O 23013851 ITERELUNHYPTPO-UHFFFAOYSA-N 444.469 1.823 0 40 IDAB CCOC(=O)N1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 24064640 ALGFVJJEVORPAT-UHFFFAOYSA-N 434.312 1.447 0 40 IDAB COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cc1Br 31388616 SCBJTXPGUIXMRV-UHFFFAOYSA-N 432.340 1.556 0 40 IDAB COc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1 32672327 YITBSQRZHXQHFC-UHFFFAOYSA-N 425.470 1.810 0 40 IDAB O=C(CN1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1)N1CCCC1 35326320 FMBHHMWITNJDDD-UHFFFAOYSA-N 432.528 1.860 0 40 IDAB COc1cc([C@@H](C)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc(OC)c1OC 40111778 UIOVDZVKMPOOQT-LLVKDONJSA-N 428.445 1.149 0 40 IDAB C[C@H](C(=O)NCCN1CCOCC1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327613 UGKSZTJAZAHFGG-HXOBKFHXSA-N 429.517 1.240 0 40 IDAB COCC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1ccc(OC)cc1)Cn1ccnc12 96036729 BDEUZMWGVXFACX-GOSISDBHSA-N 428.489 1.071 0 40 IDAB COC(=O)/C=c1\s/c(=C/c2ccsc2)c(=O)n1CC(=O)Nc1ccc(F)cc1F 96941210 GSJIBCKICXKAAB-VBILFREWSA-N 436.461 1.671 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)c2ccccc2OC)sc2cc(S(N)(=O)=O)ccc21 100876786 PONMIVRMRUDGDB-ZZEZOPTASA-N 435.483 1.273 0 40 IDAB COc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1C(=O)N1CCOCC1 224034808 MFMWGQHFOVGDPD-UHFFFAOYSA-N 434.514 1.663 0 40 IDAB CCN(CC(=O)Nc1cc(S(=O)(=O)NC)ccc1C)S(=O)(=O)c1ccc(C)cc1 226048281 KGBXHTUAEQINFX-UHFFFAOYSA-N 439.559 1.861 0 40 IDAB CN1CC(=O)N2CC[C@@H](CC(=O)N3CCOCC3)[C@@H](/C=C\COc3ccccc3C1)C2 253395672 CDFRJXWVTCPOOY-RXAWACCASA-N 427.545 1.781 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408667278 SHVJRRCETZKPBV-USEHDAJUSA-N 430.457 1.607 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)CC1 408699169 VFXXETBIJYAZBW-UHFFFAOYSA-N 439.534 1.784 0 40 IDAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 409047288 OCDDWNQAYFTUGE-IHSNIMORSA-N 435.816 1.614 0 40 IDAB CNC(=O)[C@H]1CN(C(=O)c2ccccc2CN2CCOCC2)CCN1Cc1ccccc1 585261899 NKGOAZVFGPUCCU-HSZRJFAPSA-N 436.556 1.591 0 40 IDAB CNC(=O)C12CCCCN(C(=O)CN(C)C)CCOc3ccccc3C(=O)N(CC1)CC2 643574517 YTGKANWYVBWDMB-UHFFFAOYSA-N 444.576 1.608 0 40 IDAB C[C@]1(c2cccc(CNC(=O)NC[C@@H](O)c3cc(F)c(F)c(F)c3)c2)NC(=O)NC1=O 1678011284 CKWFNSGHDFRJBD-FOIQADDNSA-N 436.390 1.691 0 40 IDAB NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 4053470 SMZKOCHXNTZOJC-UHFFFAOYSA-N 429.565 1.268 0 40 IDAB COc1ccc(NC(=O)COC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 4291141 DJAFTRPNTMCWKV-UHFFFAOYSA-N 432.429 1.633 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccc3c(c2)OCO3)cc1 8900747 RHNUZXPOJSNSCN-UHFFFAOYSA-N 447.513 1.492 0 40 IDAB O=C(NCCC1=CCCCC1)C(=O)NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9154297 DMYCNCLKFKQZHQ-LJQANCHMSA-N 447.557 1.330 0 40 IDAB Cc1nc2sccn2c1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9373072 PIWPGQBTZKJZIP-UHFFFAOYSA-N 434.499 1.547 0 40 IDAB CC[C@H](C)N(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 9546858 LAFVFWLVQDLLHA-HTZUNMPGSA-N 433.530 1.194 0 40 IDAB CCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC(c4cc5nc(C)cc(O)n5n4)CC2)[C@@H]3C1=O 12134142 NIENPJNOIYYWJU-UGTJMOTHSA-N 437.500 1.251 0 40 IDAB CNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 12595554 MPKXDKGYACQGSE-UHFFFAOYSA-N 428.436 1.971 0 40 IDAB CCCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 13574167 UXKZVKPESZJUQE-UEKNLZFZSA-N 436.306 1.350 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)C1=O 14242444 WTBFUVKTFJFIFK-JOCHJYFZSA-N 441.488 1.520 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 16022150 OTEVWJFZAPLMQH-ZDQHKECQSA-N 433.508 1.913 0 40 IDAB C[C@H]1CN(C(=O)CSc2nc(C3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)C[C@@H](C)O1 17246272 XTVPWMWYSRAQCD-BETUJISGSA-N 447.561 1.413 0 40 IDAB CCOc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 20033483 ZQCDIISOWVPNPP-UHFFFAOYSA-N 440.543 1.585 0 40 IDAB COc1ccc(Cl)cc1C(=O)NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1 21454335 UZNJOFOSFRNWKA-UHFFFAOYSA-N 439.259 1.790 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(C)(C)N2CCCCC2)cc1 22622590 GGIXPGRIHYPLQC-UHFFFAOYSA-N 438.594 1.484 0 40 IDAB O=C(OCc1nnc(-c2ccc(F)cc2)o1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23055069 HVWVZJPMGGDCGP-ZDUSSCGKSA-N 436.421 1.084 0 40 IDAB COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 38756255 KCOMWJLASRIIKU-UHFFFAOYSA-N 426.510 1.779 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 57414672 VZKOWTDOXLOGPA-LJQANCHMSA-N 438.488 1.088 0 40 IDAB O=C1N[C@H](C(=O)Nc2ccc(N3CCOCC3)cn2)CS[C@H]1Cc1ccccc1F 65515081 MCXPJUPCGSKDGC-ROUUACIJSA-N 430.505 1.839 0 40 IDAB Cc1nccn1-c1ccc(N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)nn1 70998524 YQPUIFUXFFHVGI-UHFFFAOYSA-N 430.472 1.029 0 40 IDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(CCc2ccncc2)CC1 96223183 QAJQWJNELMAXMI-NRFANRHFSA-N 435.528 1.669 0 40 IDAB Cc1noc(C)c1CC(=O)Nc1nc(C(=O)NCc2ccnc(N3CCOCC3)c2)co1 207955918 QYNYXQYRUFDYCN-UHFFFAOYSA-N 440.460 1.622 0 40 IDAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCN(C)CC3)CC2)c1 216345516 NVSNFYLLPCCNPS-UHFFFAOYSA-N 436.622 1.291 0 40 IDAB COc1ccc(S(=O)(=O)Nc2nnc(SC)s2)cc1C(=O)N1CCOCC1 225304168 RBLLZHOZNOLPAX-UHFFFAOYSA-N 430.533 1.542 0 40 IDAB CC(C)n1cnc2cc(C(=O)N3CC[C@@H](n4cnc5c(N)nc(N)nc54)[C@](C)(O)C3)ccc21 257249384 JIBMMKQEEOWKRD-OPAMFIHVSA-N 449.519 1.760 0 40 IDAB O=C1CCCN1CCOCC(=O)N1CCO[C@@H](c2cncc(-c3ccccc3F)n2)C1 257290662 QDVMMWQQZOYILO-HXUWFJFHSA-N 428.464 1.822 0 40 IDAB O=C(CNC(=O)CNC(=O)OCc1ccccc1)NCC(=O)NC1CCCCCCC1 408998362 BCCSQEXCVNZZDA-UHFFFAOYSA-N 432.521 1.374 0 40 IDAB Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)cc1F 616102499 HOOAUDCPDQXNTE-UHFFFAOYSA-N 434.493 1.449 0 40 IDAB CC(=O)NCCN(Cc1ccc(C)s1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 669873393 BHNOPUDWHLIXHH-IBGZPJMESA-N 437.610 1.111 0 40 IDAB COc1ccc(-c2ncnc(N3CCN(S(=O)(=O)c4nccn4C)CC3)c2F)cc1 1775972405 FQFZPSQFEFUVDH-UHFFFAOYSA-N 432.481 1.536 0 40 IDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5cncc(Br)c5)C[C@@H]4C3)ncnc21 1888910352 KDVGLIDBASYKJI-STQMWFEESA-N 428.294 1.729 0 40 IDAB COc1ccc(C(=O)NCCNC(C)=O)cc1S(=O)(=O)NCc1ccc(Cl)cc1 3419421 CUHMBVYTXUQAHN-UHFFFAOYSA-N 439.921 1.693 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](N2CCc3ccccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4043412 RTRYJIOTUZUULJ-KNOXWWKRSA-N 449.456 1.132 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](n2cnc3c(Cl)ncnc32)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4975055 PXDSYUHUQAIRBD-COMQUAJESA-N 426.813 1.194 0 40 IDAB CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NC[C@@H]1CCCO1 6198567 HMKGVTVTQIDOGH-KRWDZBQOSA-N 446.573 1.716 0 40 IDAB CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)n1 6878736 OGDBRLDOZGSOLP-UHFFFAOYSA-N 429.308 1.884 0 40 IDAB CC1=NC(=O)NC(=O)[C@H]1S(=O)(=O)NCCn1c2ccccc2c2c(C)cc(C)nc21 8777817 CANPJIDYSUAHIH-KRWDZBQOSA-N 427.486 1.805 0 40 IDAB COCCNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 8790362 BOBSNKWYXIJIFZ-PRPYNDMISA-N 446.507 1.905 0 40 IDAB biogenic Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCN1c1ccc(Oc2ccccc2)cc1 9002106 POKGWWNMLNMIAR-UHFFFAOYSA-N 433.424 1.925 0 40 IDAB O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9061188 KCPMKXWWYKUNKZ-GOSISDBHSA-N 442.541 1.926 0 40 IDAB O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCc1nnc2ccccn12 9415910 RLDWNPGYSYPLCA-UHFFFAOYSA-N 429.380 1.223 0 40 IDAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9484880 XSDCNZYNDHOGGL-FXAWDEMLSA-N 437.500 1.204 0 40 IDAB CCc1cccc(OC[C@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 10385058 IHTPDGQMMUGXEU-QGZVFWFLSA-N 441.532 1.426 0 40 IDAB COCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 12137322 VQQXPSRIPIQSIZ-AWEZNQCLSA-N 437.518 1.378 0 40 IDAB CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 12310297 CNSLHAHWAXMEFM-UHFFFAOYSA-N 427.440 1.342 0 40 IDAB CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(C(C)(C)C)cc2)c1=O 12727316 UIRSFHJSJYZOKH-UHFFFAOYSA-N 443.548 1.775 0 40 IDAB CC(C)Cn1nnnc1SCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 12880470 AVTXDZPZIAAJSU-UHFFFAOYSA-N 435.529 1.343 0 40 IDAB CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)O)c(=O)n3CC(=O)NCc2ccco2)CO1 13610008 LNFHPQARNOXFQW-UHFFFAOYSA-N 447.469 1.070 0 40 IDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 18081983 SYTXHRFHCMPTED-UHFFFAOYSA-N 430.461 1.069 0 40 IDAB O=C(CC[C@@H]1CCCO1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339546 HPVXQWRBIQVMKH-MOPGFXCFSA-N 437.544 1.998 0 40 IDAB COCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699768 OZZQPWBKDVGJAX-LJQANCHMSA-N 428.533 1.253 0 40 IDAB Cc1cc2cc(CN(CCCO)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1C 19824264 OREVGYCGLLQWHH-UHFFFAOYSA-N 446.617 1.926 0 40 IDAB COc1ccc(OC)c(NS(=O)(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 21010287 AARLVKXDIPVDRD-CYBMUJFWSA-N 429.520 1.678 0 40 IDAB CCOc1ccccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22228599 IYWDRUPQOKOMGC-UHFFFAOYSA-N 447.513 1.361 0 40 IDAB COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1OC 22529041 UJNMUCXDKQCNPT-UHFFFAOYSA-N 434.514 1.796 0 40 IDAB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2cccc3ccccc23)CC1 22787354 QRCJAQPSJVAUKS-GHTZIAJQSA-N 429.586 1.991 0 40 IDAB CCN(CC(=O)NCc1cccs1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 23805517 LJAIOIFXERQEEQ-OAQYLSRUSA-N 428.514 1.680 0 40 IDAB CN(Cc1ccccc1Br)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 32826466 VWYYQWVYEJEGEU-KBPBESRZSA-N 429.336 1.443 0 40 IDAB COc1ccc(OCCN2CC(=O)N(c3ccc(OC)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 36081891 MSRXSRSKVDILFW-LEWJYISDSA-N 446.525 1.597 0 40 IDAB Cc1nc(NCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(N2CCCC2)n1 38670689 VDZXNXQNCOTXFV-UHFFFAOYSA-N 432.550 1.477 0 40 IDAB CN1C(=O)N(C)C(=O)C(Cc2ccco2)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O 59410029 DBRDHYQXMNPBRH-JKSUJKDBSA-N 438.484 1.140 0 40 IDAB biogenic CN(C)[C@H](CNC(=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccc2c(c1)CCO2 90607303 GHJQZHYCSQVFFB-HXUWFJFHSA-N 448.523 1.814 0 40 IDAB C[C@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@H]1CO 107539887 WJHCSFXGXZPMJZ-GWCFXTLKSA-N 426.354 1.634 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2nc(-c3ccccc3Cl)no2)C1 219268369 GOPOKLQWMIHRIS-GFCCVEGCSA-N 427.914 1.525 0 40 IDAB CC[C@@H](C(=O)NCCCN1CCOCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220750936 WHDBGGKMICLIHF-KRWDZBQOSA-N 447.985 1.732 0 40 IDAB Cn1nccc1[C@@H]1CN(C(=O)c2cnccn2)C[C@]12CCCN(Cc1ccncc1)C2=O 306137282 QRSKQSGWGLYFCH-FDDCHVKYSA-N 431.500 1.654 0 40 IDAB CN(Cc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)S(C)(=O)=O 408705744 MQZVKIHCJSJPAN-UHFFFAOYSA-N 435.521 1.945 0 40 IDAB CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OC)c2)C1 1746535052 JQCWVHVGTSSSCB-QGZVFWFLSA-N 430.534 1.848 0 40 IDAB Cc1ccc2c(c1)[C@]1(N[C@H](CCC(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 2129174 YJTFAPLZYSXKBF-ZHNFZGJGSA-N 433.464 1.780 0 40 IDAB biogenic Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)ccc21 2448706 INDLZIAPPWHLFE-UHFFFAOYSA-N 440.479 1.479 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCc4ccccc4C3)c2)CC1 3452537 LLRCERPKGWJULB-UHFFFAOYSA-N 427.526 1.738 0 40 IDAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 9222476 RNUHORPVXKTKDB-UHFFFAOYSA-N 439.453 1.642 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 9806131 RDXIKIDMHWMOBK-KRWDZBQOSA-N 431.514 1.912 0 40 IDAB CCOCCn1c(=O)c2c(nc3n(-c4ccc(C(=O)OCC)cc4)c(C)cn23)n(C)c1=O 9829435 VIKKMEQFWBLWHX-UHFFFAOYSA-N 439.472 1.660 0 40 IDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)ccc21 11010104 VOEKBVPVNXBOBY-UHFFFAOYSA-N 436.516 1.894 0 40 IDAB CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)N1CCC[C@H]1C(=O)O 12886072 JOFBCJSJNSSHRO-OFVDUGFESA-N 445.516 1.655 0 40 IDAB biogenic CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)cc1 12992393 BVSCGPBTDUAQQP-IBGZPJMESA-N 428.510 1.973 0 40 IDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 13017646 ZPLRNFORBTZCJX-UHFFFAOYSA-N 447.900 1.754 0 40 IDAB C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 16970757 DYVKEUJHAHTUEI-PBHICJAKSA-N 437.518 1.166 0 40 IDAB COCCOc1ccc(CN2CCc3nc(N4CCOCC4)nc(O)c3CC2)cc1OC 19593762 VXKJRIJYIPCIOP-UHFFFAOYSA-N 444.532 1.653 0 40 IDAB CCS(=O)(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccccc2OC)CC1 19758533 PJNFUJLZQFZECU-UHFFFAOYSA-N 434.562 1.963 0 40 IDAB Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCN2CCS(=O)(=O)c2ccccc2)n1 19766666 RRTFETSVDXMVCS-HXUWFJFHSA-N 444.557 1.868 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CN4CCOCC4)cc3)CC2)cc1 22795490 UANLORQICPQPFV-UHFFFAOYSA-N 443.569 1.974 0 40 IDAB CCn1c(=O)c2ccccc2n(CC(=O)NCC2(N3CCOCC3)CCCCC2)c1=O 23675323 BKDQSQDFLCCDJY-UHFFFAOYSA-N 428.533 1.334 0 40 IDAB Cc1ccc(CN2C[C@H](C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2=O)cc1 30643775 PPMBOCZRKMFSND-OAQYLSRUSA-N 436.560 1.462 0 40 IDAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NCc2cccc(NS(N)(=O)=O)c2)cc1 32754071 CIRGDSVUIDGHON-ZHZWZMEUSA-N 432.502 1.145 0 40 IDAB COc1cccc([C@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)c2c[nH]c3ccccc23)c1OC 40007664 BKVDXTZLOKFNQD-SFHVURJKSA-N 448.479 1.983 0 40 IDAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 40142370 JQDDWODBZIUYMS-HZPDHXFCSA-N 429.608 1.867 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)o1 40154597 OFVYWZVFQFVHRG-UHFFFAOYSA-N 448.501 1.290 0 40 IDAB O=C(COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O)N1CCOCC1 56949784 CRWHSZJSZUSZKZ-UHFFFAOYSA-N 431.464 1.339 0 40 IDAB COC(=O)[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 72278429 BJVLIDIMMPVNTQ-GOSISDBHSA-N 438.527 1.342 0 40 IDAB CC(C)S(=O)(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 72399220 FJGRSCYPUNZXNB-KRWDZBQOSA-N 436.578 1.804 0 40 IDAB Cc1ccccc1-n1nnc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1ccncc1 77100789 ZTOYDDAUGUTHQD-UHFFFAOYSA-N 426.502 1.355 0 40 IDAB O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)N1CCSCC1 79484183 GUXPJJJMBHBFHH-UHFFFAOYSA-N 429.542 1.916 0 40 IDAB Cn1cnnc1-c1ccccc1NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 84334574 MZBHWKWCOUPLMM-UHFFFAOYSA-N 433.515 1.823 0 40 IDAB COc1ccc2[nH]c(=O)c([C@@H](CC(=O)N3CCOCC3)c3oc(C)cc(=O)c3O)cc2c1 96114323 BSFDTVMISSAHEF-MRXNPFEDSA-N 440.452 1.885 0 40 IDAB biogenic COC(=O)c1nc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)sc1C 97531447 QWJJRAWGCIXVSC-CQSZACIVSA-N 428.470 1.828 0 40 IDAB CN(CC(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2)[C@@H]1CCS(=O)(=O)C1 248031663 TVUJVJAJVJLFSN-GBESFXJTSA-N 446.573 1.040 0 40 IDAB O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CCN(C4CCC4)C[C@@H]13)O2 253399080 IHPZHRLZVZOHSQ-ZJOUEHCJSA-N 425.529 1.978 0 40 IDAB CCN1CCN(C(=O)CN2CSCC2=O)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 257317868 VLNRERUDPGYHSN-HXUWFJFHSA-N 438.553 1.883 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3csc(-c4ccccc4)n3)CC[C@@H]2O)CC1 257324942 WQVOULRDKYZZSS-PMACEKPBSA-N 428.558 1.940 0 40 IDAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCCCN1CCOCC1 408626047 ZEIXUYJNWXBDKI-UHFFFAOYSA-N 441.569 1.988 0 40 IDAB COc1cccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccccc2)c1 408627777 POQXENTYKYDWGF-UHFFFAOYSA-N 447.557 1.729 0 40 IDAB CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)cc1Br 503731359 BIECZSZCEUMCPD-UHFFFAOYSA-N 432.340 1.957 0 40 IDAB CN(C)c1nccc2c1CCN(c1nnc(Cc3ccccn3)n1CCOCCCO)C2 1503391104 INGGFZPXSJIFRZ-UHFFFAOYSA-N 437.548 1.687 0 40 IDAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)Cc5cccc(F)c5)C[C@H]4C3)ncnc21 1888930527 LQXULKWQUXNLPC-HZPDHXFCSA-N 430.509 1.883 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 815545 AWRANEIZIBPLPR-MRXNPFEDSA-N 426.516 1.953 0 40 IDAB Cc1c(CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)oc2c(C)c(O)ccc12 2158880 JIYZDAQMUUEUEA-INIZCTEOSA-N 432.473 1.780 0 40 IDAB biogenic COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OCc1ccccc1 5957686 UIESYHDNHVGZRB-SJORKVTESA-N 435.525 1.249 0 40 IDAB COc1ccc(C(=O)NCC(=O)Nc2c(C)nn(C)c2C)cc1S(=O)(=O)N1CCCC1 8728602 VYCZCKMUQLXWFL-UHFFFAOYSA-N 449.533 1.199 0 40 IDAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 9166704 BIBGUABFIANBRR-SECBINFHSA-N 435.437 1.303 0 40 IDAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCc1cccnc1 9304735 ZGMOXPSGLHXNIA-HNNXBMFYSA-N 448.520 1.443 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n(C)c1=O 9646742 AXWZZUQFXWTXFZ-UHFFFAOYSA-N 427.480 1.934 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 9664178 DAGOOQDDVGEQNS-CQSZACIVSA-N 429.545 1.577 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)OC)C(C)C)c1 9956127 VGJXLRKMQSIIIR-WMLDXEAASA-N 441.550 1.149 0 40 IDAB O=C(N[C@H](Cc1ccccc1)C(=O)OCC(=O)N1CCNC1=O)OCc1ccccc1 10215882 NGTIBMQZUFTFFR-GOSISDBHSA-N 425.441 1.619 0 40 IDAB CCOC(=O)Cn1c(C)cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc12 10233588 HVOLZPYMGAISCH-UHFFFAOYSA-N 447.854 1.862 0 40 IDAB Cc1cc(N2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)nc(C(C)C)n1 11077373 LNBFIPBSIDHVPY-UHFFFAOYSA-N 430.534 1.055 0 40 IDAB O=C(c1ccc(Br)o1)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 12408297 OJSFNSVETPPKKU-UHFFFAOYSA-N 441.263 1.725 0 40 IDAB CCN(C(=O)Cn1c(=O)oc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13108113 WSRWNMPKZCHSFB-UHFFFAOYSA-N 435.440 1.128 0 40 IDAB CC(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 13513626 KAXIZHHYRQQZNT-INIZCTEOSA-N 445.607 1.500 0 40 IDAB Cc1ccc2c(c1)[C@@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 15967570 FJRWKXNZDUURGR-YEZODRMGSA-N 449.463 1.025 0 40 IDAB CC(C)(CNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)CNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 17098968 BWDKSEMRRGORJK-GLHLSZGBSA-N 434.533 1.739 0 40 IDAB C[C@@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccc2c(c1)OCO2 17123301 PAYSSBVXAPFRGA-CQSZACIVSA-N 445.472 1.608 0 40 IDAB CCOCCN1CCN(C(=O)CN2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)CC1 19531068 CZXMWMFLLVZEFG-UHFFFAOYSA-N 445.608 1.330 0 40 IDAB COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3N2S(=O)(=O)c2cn(C)cn2)cc1 19713907 WJFXEQADSMFFJP-NZSAHSFTSA-N 432.546 1.862 0 40 IDAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 21847781 CEZJRHFKNYYQQM-MRXNPFEDSA-N 425.485 1.967 0 40 IDAB Cc1ccc(Cl)cc1N(CCCC(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O 22829899 BBBNTBWVXZRRSK-UHFFFAOYSA-N 445.029 1.948 0 40 IDAB CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)CC1 26456016 KYAAHZKAGBSQIY-MRXNPFEDSA-N 425.551 1.269 0 40 IDAB CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)N1CCOCC1 32579295 DTDGVDHNILCHNU-UHFFFAOYSA-N 449.533 1.196 0 40 IDAB O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)NCc1ccc(F)cc1 40478097 RRGWFRMRNLVPEV-UHFFFAOYSA-N 428.374 1.770 0 40 IDAB O=C(NCCN1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1)c1ccsc1 42383093 YHUBONRHXNPPSN-UHFFFAOYSA-N 435.571 1.486 0 40 IDAB COc1ccc(OCc2noc(CNC(=O)[C@@H](C)n3nnc4ccccc4c3=O)n2)cc1 49027445 PJHQVOVFSZILHT-CYBMUJFWSA-N 436.428 1.640 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1 56997279 LJXUZJFAEXQORA-UHFFFAOYSA-N 434.537 1.628 0 40 IDAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O 57996327 HXNWWGKWHGSDEI-NBGIEHNGSA-N 444.491 1.820 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)CC2=O)cc1 77101281 VOWCCHYGAWOLLM-KRWDZBQOSA-N 447.495 1.680 0 40 IDAB O=C([C@@H]1CSc2nccc(=O)n2C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 90609924 ILPJILDLGCVWIH-LBPRGKRZSA-N 425.436 1.728 0 40 IDAB COc1ccc(CN2CCC3(CC2)O[C@H](C(=O)N2CCN(C)CC2)Cn2ccnc23)cc1 96263266 UBDJOCNECYRVGS-NRFANRHFSA-N 439.560 1.556 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1CC(=O)N1CCC[C@H](C)C1 96794156 WPDCTYHYAQHFRZ-IQNCSGQGSA-N 432.517 1.480 0 40 IDAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CN(Cc1ccco1)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100098725 PRSZJVBRIAQRQQ-MOSTYSIVSA-N 447.491 1.611 0 40 IDAB CCN(CC)c1ccc(C(=O)N[C@@H]2CCCC[C@@H](N3CCN(C(C)=O)CC3)[C@@H]2O)c(O)c1 257317237 VIXNPCQJGCAZFG-MQSCRBSSSA-N 446.592 1.804 0 40 IDAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C)C(=O)NCc2ccco2)cc1 260725593 YJBDOKKJALIRDS-OAHLLOKOSA-N 437.518 1.213 0 40 IDAB CCS(=O)(=O)N(C)CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 260822910 CFLGRCWRJLKUCK-LJQANCHMSA-N 431.514 1.379 0 40 IDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(C(=O)Cc4ccccc4C)C[C@@H]32)cc1 306130612 JKZLODAHVASMBR-NHCUHLMSSA-N 430.508 1.868 0 40 IDAB CC(C)N1CCN(C(=O)c2cn3c(nc2=O)[C@@]2(CCN(C(=O)c4ccccc4)C2)CC3)CC1 306141845 WHXWQZVMLIMYDL-RUZDIDTESA-N 449.555 1.597 0 40 IDAB CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 515631370 VZNTUGBTWYFJSA-HNNXBMFYSA-N 445.497 1.556 0 40 IDAB COc1ccc(S(=O)(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1NC(C)=O 575424489 AOOAJYTYHRXSID-HUUCEWRRSA-N 446.547 1.010 0 40 IDAB COc1c2c(c(Br)c3c1[C@@H](CC(=O)N1CCOCC1)N(C)CC3)OCO2 1547139763 ZYLAEKIJGWOHDY-GFCCVEGCSA-N 427.295 1.964 0 40 IDAB biogenic COC(=O)[C@@H](Cc1ccncc1)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 1561598599 PMPJQIKDUFMFNW-GOSISDBHSA-N 433.486 1.106 0 40 IDAB CN(C1CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1)S(=O)(=O)N1CCCC1 1775970917 JRVPKCNPXXBABC-UHFFFAOYSA-N 431.497 1.391 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)c5cc(C)c(F)cn5)C[C@H]4C3)ncnc21 1888918056 KJVQEAAZPPIOSD-GASCZTMLSA-N 425.468 1.524 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](Nc2cccc(C)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4256079 GMHYNAOFGRHEHB-SRHPJPHMSA-N 437.445 1.490 0 40 IDAB O=C([C@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2O1)N1CCCCC1 9335717 GBWPECBADIJYJR-GOSISDBHSA-N 440.500 1.658 0 40 IDAB CN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 9492167 CKYJATJUQJXJRL-QGZVFWFLSA-N 440.518 1.667 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1 12627792 QNNQMGLAXBMZNB-UHFFFAOYSA-N 441.557 1.384 0 40 IDAB COc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 12755277 ZUQQTCKSDHPEKQ-UHFFFAOYSA-N 433.530 1.931 0 40 IDAB CCOC(=O)N1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 12812003 AJNFXUNNRCENGJ-UHFFFAOYSA-N 431.536 1.120 0 40 IDAB CCCCN(C(=O)CCCSc1nnnn1C)c1c(N)n(CCCC)c(=O)[nH]c1=O 12985832 DRXCOXUUBLFEFD-UHFFFAOYSA-N 438.558 1.148 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 13097778 JMDRURAKQWMPKH-OAQYLSRUSA-N 446.504 1.557 0 40 IDAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(=O)OC)cc2)c1=O 13992307 DBPMXXCXLHSOFC-UHFFFAOYSA-N 425.441 1.625 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)COc3ccccc3F)C1)C2=O 19700759 DPUXVZFUAAZJSV-MRXNPFEDSA-N 432.496 1.602 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccccc1OC 19817940 DLXCTVLIPLEHDG-IAGOWNOFSA-N 432.477 1.176 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 20030765 FZYKSMXCYJWELZ-UHFFFAOYSA-N 439.559 1.015 0 40 IDAB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccsc2)CC1 22766234 FSSIIVVMBPFGEP-QGZVFWFLSA-N 430.530 1.198 0 40 IDAB CC(C)CN1CCO[C@@H](CSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 23701739 TWKXAILBHAGNNW-QGZVFWFLSA-N 428.624 1.467 0 40 IDAB CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)CC1 24609365 NVSHKNGITJUDQQ-UHFFFAOYSA-N 437.562 1.838 0 40 IDAB O=C1C[C@H](N2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)N1CCc1ccccc1 25392188 VQSGYMDJDLFWFE-KRWDZBQOSA-N 433.555 1.425 0 40 IDAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)NC[C@H]1COc2ccccc2O1 32672077 PDJCMTJAXIZDDS-INIZCTEOSA-N 426.498 1.862 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCCc1nnc2ccccn12 36394110 AJXBBENFLJIWAA-UHFFFAOYSA-N 427.530 1.635 0 40 IDAB COC(=O)c1cc(Cl)c(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1OC 48324121 ZJLYNXWNFAVPQC-SUMWQHHRSA-N 441.912 1.994 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)Nc1ccc(F)c(Cl)c1 49410602 PGWPGPFWBBZETP-UHFFFAOYSA-N 429.857 1.300 0 40 IDAB COc1ccc2c(c1)NC1(CCN(C(=O)Cc3nc4ccccc4[nH]3)CC1)NS2(=O)=O 72327979 PYJYUBWIMVPCKF-UHFFFAOYSA-N 441.513 1.837 0 40 IDAB CC(C)[C@H](C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)N1CCCS1(=O)=O 95430627 VIPOWBUGBKHXRN-MLGOLLRUSA-N 439.361 1.909 0 40 IDAB CC(=O)NCCOCC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 95992960 QZGLOJQIMFMZPY-UHFFFAOYSA-N 439.578 1.214 0 40 IDAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)CCCN1CCOCC1 95996978 DJKYQWNLQFHTJC-UHFFFAOYSA-N 437.484 1.807 0 40 IDAB CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)c4ccncc4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143739 KMULBXFDRFHGLB-LAUBAEHRSA-N 434.562 1.064 0 40 IDAB CCCCc1c(O)nc(SCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)[nH]c1=O 100763931 OSMULSLUVUBSGB-KBPBESRZSA-N 430.530 1.718 0 40 IDAB biogenic NC(=O)C1CCN(C(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(F)cc3)CC2)CC1 101507715 QKTJKRIQCPZSIL-FZNQNYSPSA-N 425.526 1.634 0 40 IDAB CCOc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OCC 102820049 BHAAUIKOXZDWOM-IAGOWNOFSA-N 443.500 1.832 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222793147 PPXNUYKKFBLDCD-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)Cc1ccccc1 224587799 HASWGQZZSPWMEB-UHFFFAOYSA-N 431.558 1.597 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccoc2)N2CCSCC2)cc1C(N)=O 240067747 SAMOJYQCFUMYDA-INIZCTEOSA-N 425.532 1.456 0 40 IDAB COc1ncccc1CN1CC[C@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 306139518 SZFYWAMTTXMANU-NRFANRHFSA-N 440.529 1.169 0 40 IDAB CC(C)CN1CCN(C(=O)Cn2nc3n(c2=O)C(=O)N(c2ccc(Cl)cc2)C3)CC1 1547201293 XIALZCPWHOHDKC-UHFFFAOYSA-N 432.912 1.487 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2c1=O 4003893 NXRQAQRYGFKISU-UHFFFAOYSA-N 438.484 1.307 0 40 IDAB COCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C 6444371 HBOWVCFLSGDIJP-UHFFFAOYSA-N 432.912 1.060 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)N3CCC(Cc4ccccc4)CC3)n2C)n(C)c1=O 6444973 REEKCUVZHFUJKJ-UHFFFAOYSA-N 441.557 1.544 0 40 IDAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 8703948 MMDONBXZKHFGNG-UHFFFAOYSA-N 444.517 1.333 0 40 IDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 8728486 JFVFABKSERMAKN-IBGZPJMESA-N 432.498 1.410 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccncc5)C(=O)[C@H]24)O3)cc1OC 8764294 PXEJCMCVHDBDIB-RBODFLQRSA-N 449.507 1.740 0 40 IDAB CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 9059018 HRWGUCQKYFQTLQ-GCYOBHRFSA-N 433.530 1.765 0 40 IDAB biogenic CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 9344686 BNSFWPQRJBCJOI-OLZOCXBDSA-N 432.365 1.612 0 40 IDAB COc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 9525822 PRHVYQSNCCXKBP-UHFFFAOYSA-N 434.470 1.999 0 40 IDAB C[C@@H](Oc1ccccc1C(=O)O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9544827 XQLAZPCHWFDADG-CQSZACIVSA-N 434.470 1.812 0 40 IDAB CC(=O)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccccc3)c2C(N)=O)C1 9599595 KNZVAKBHQHUUON-UHFFFAOYSA-N 435.527 1.554 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)O 9723110 QCAGHEZWUZTRPN-SCLBCKFNSA-N 442.534 1.720 0 40 IDAB COC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029851 AJZISPVPWAOHEL-OAHLLOKOSA-N 437.495 1.686 0 40 IDAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 12541564 ZPSDUPJCIRQTGE-MRVPVSSYSA-N 430.244 1.166 0 40 IDAB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12984079 FYOUJMWWDWDTSH-OLZOCXBDSA-N 449.460 1.396 0 40 IDAB COCCN(C(=O)CCC(=O)Nc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13041176 UYYOGBXUQPWLSM-UHFFFAOYSA-N 431.493 1.173 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 13114561 QIDQVZIUMYQWAE-UHFFFAOYSA-N 427.482 1.893 0 40 IDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 13128663 KDDFXDFCNAUQJX-UHFFFAOYSA-N 444.488 1.459 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2n1 14068522 CWTPZBJATIQALM-UHFFFAOYSA-N 432.481 1.417 0 40 IDAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 14095054 ZYFWPVOMFOMWAV-INIZCTEOSA-N 428.580 1.836 0 40 IDAB O=C(CCN1C(=O)COc2ccccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 14246168 JLTARIJRJXSERM-UHFFFAOYSA-N 443.525 1.476 0 40 IDAB NC(=O)NC(=O)COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 18243987 YNBMRWSFFYZQOZ-KRWDZBQOSA-N 442.859 1.901 0 40 IDAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 18838695 WMKDDXWWRMBRQB-HNNXBMFYSA-N 432.498 1.970 0 40 IDAB COCC(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19700720 XGGSDZOTVYPTBM-UHFFFAOYSA-N 428.533 1.458 0 40 IDAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCCCn1ccnc1 19935491 KNWWOTHTPIDKFJ-UHFFFAOYSA-N 426.926 1.906 0 40 IDAB CC(C)[C@@]1(C)NC(c2nc3ccccc3cc2C(=O)N[C@@H]2CCS(=O)(=O)C2)=NC1=O 20649676 LOVSGJPAYASHOD-SPLOXXLWSA-N 428.514 1.443 0 40 IDAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(Cc2ccccc2)CC1 20716595 GHZPMYALMZXOHE-UHFFFAOYSA-N 433.512 1.358 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 35363869 OJLSSLQLXZDJDV-IFDTWAIBSA-N 433.508 1.647 0 40 IDAB biogenic Cc1c(C(=O)NCCCCN2CCOCC2)cc(Br)cc1S(N)(=O)=O 72310071 CYXYCKCTHIYXCI-UHFFFAOYSA-N 434.356 1.247 0 40 IDAB CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 95429230 LHTHUWNWGJVKSS-LJQANCHMSA-N 438.546 1.843 0 40 IDAB COC(=O)[C@H]1CN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C[C@@H](C)O1 95965896 OSERSORAUJESFA-BPQIPLTHSA-N 426.535 1.477 0 40 IDAB CCOC(=O)C1=C(N)Nc2cc(=O)nc(OC)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 100252296 NWYSMTBSPPQXKR-MRXNPFEDSA-N 432.433 1.026 0 40 IDAB CCC(=O)N(Cc1ccc(S(N)(=O)=O)cc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 100560698 ADOSLXNNYZTMQB-SFHVURJKSA-N 445.497 1.413 0 40 IDAB O=c1[nH]c2nc(NCc3ccc4c(c3)OCO4)ncc2c(=O)n1-c1ccc2c(c1)OCO2 102911785 YDSVHUKHGQWEEP-UHFFFAOYSA-N 433.380 1.539 0 40 IDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222818285 RXUFCLGZNAPTKQ-PBHICJAKSA-N 445.969 1.244 0 40 IDAB CN(CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCCO)c1ccccc1)S(C)(=O)=O 223330026 TZXOAWLWFGHZKH-OAQYLSRUSA-N 447.557 1.147 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225395209 SOIMRRPOKHCDBL-ZDUSSCGKSA-N 449.916 1.648 0 40 IDAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc(=O)n(C)c(=O)n4C)C3)o2)cc1 257217835 DAVCKOLDDAFJPN-MRXNPFEDSA-N 438.484 1.691 0 40 IDAB C[C@]1(c2cccc(C(=O)N[C@@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)c2)NC(=O)NC1=O 508010032 JDEXMIPTOBIRJO-UZUQRXQVSA-N 448.458 1.884 0 40 IDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)C1 540023227 JYGNUQXAEZOJEL-INIZCTEOSA-N 439.563 1.217 0 40 IDAB CCOc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](c3n[nH]c(C)n3)C2)cc1OCC 1626653876 LAWMNIAZYAUCDJ-CQSZACIVSA-N 437.522 1.205 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)CC1 1775976250 WWEMIDPPTIFVTR-UHFFFAOYSA-N 436.456 1.537 0 40 IDAB Cc1ccc(-c2noc(=O)n2CC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 1332579 JWGIKIQRPGXZRL-UHFFFAOYSA-N 428.470 1.891 0 40 IDAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc(Cl)cc1 2640504 JUMHTEYLBUNMQE-UHFFFAOYSA-N 427.935 1.664 0 40 IDAB NC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 3367035 KNLQVILBICAWEO-UHFFFAOYSA-N 438.289 1.132 0 40 IDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCNc1ccc(Br)cc1 8991263 LWHYDCPDXDCCER-UHFFFAOYSA-N 431.294 1.869 0 40 IDAB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 9580157 QKGQBOGPXOVQDL-ZYHUDNBSSA-N 425.488 1.591 0 40 IDAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 9985566 HFRBNCGCNZRGPI-UHFFFAOYSA-N 447.513 1.842 0 40 IDAB Cn1c(COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc(=O)n(C)c1=O 10539007 FHLKWHRWXMETSF-UHFFFAOYSA-N 432.436 1.199 0 40 IDAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc4c(c3)OCO4)CC2)c1 11796636 FBQAQEYBMODYPW-UHFFFAOYSA-N 445.541 1.996 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccc(F)cc1 11906102 DBAZRYLQHARLDV-UHFFFAOYSA-N 428.463 1.379 0 40 IDAB CN(Cc1ccc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)o1)S(C)(=O)=O 12185863 DUXCMGMDYJTCKC-UHFFFAOYSA-N 429.502 1.787 0 40 IDAB COc1ccc(OC[C@H](O)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1 12289087 OWHMZYVPIVCPRD-HUUCEWRRSA-N 443.504 1.108 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 12633052 CBFCFPUHLDEFEK-OAQYLSRUSA-N 446.504 1.557 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cn3c(=O)n(C)c4ccccc43)CC2)c1 12758439 SQNHWKUXDIYYCZ-UHFFFAOYSA-N 446.529 1.321 0 40 IDAB COC(=O)[C@@H](CSC[C@@H](NC(=O)c1ccccc1)C(=O)OC)NC(=O)c1ccccc1 12862733 OEFFFEWEQXAIFM-QZTJIDSGSA-N 444.509 1.663 0 40 IDAB biogenic CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1 12944841 CZRSUCHHKWFYOP-UHFFFAOYSA-N 429.502 1.138 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3n[nH]c(=O)c4ccccc34)cc2)C[C@@H](C)O1 15916129 MZZSFLRFQKNIMX-OKILXGFUSA-N 442.497 1.973 0 40 IDAB NC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc1 17170280 ARFYUXLMYMQAAO-UHFFFAOYSA-N 447.426 1.483 0 40 IDAB CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)C[C@@H]4C=CCC4)CC3)n2)CC1 19590132 GSNROQPLMUFXMF-QGZVFWFLSA-N 447.605 1.694 0 40 IDAB CNc1nc([C@H]2CCCCN2C(=O)CCN2CCOCC2)nc2c1CCN(C(C)=O)C2 19708644 TVAVLLPDFZQJPA-LJQANCHMSA-N 430.553 1.199 0 40 IDAB CCNC(=O)CN(C)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 40148971 YPUMPMRSRKHNHZ-UHFFFAOYSA-N 425.532 1.547 0 40 IDAB COc1ccc(OCc2noc(CNC(=O)[C@H](C)n3nnc4ccccc4c3=O)n2)cc1 49027442 PJHQVOVFSZILHT-ZDUSSCGKSA-N 436.428 1.640 0 40 IDAB COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)Nc1cccc(OC)c1 72274984 OEWQMLZAFAQSLK-UHFFFAOYSA-N 443.441 1.001 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O 217612617 GBYMFODZINXBOP-PYUNUYJDSA-N 442.518 1.994 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220478531 VOPZPUMLMWUXRZ-AWEZNQCLSA-N 437.493 1.995 0 40 IDAB Cc1n[nH]c(SCCNC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)n1 222772798 YJQOXHGUYQJBDQ-UHFFFAOYSA-N 439.563 1.493 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1C 224325332 VBIACCUSLZPMRK-UHFFFAOYSA-N 431.562 1.749 0 40 IDAB COC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224836273 JKXNLBDQIAUGIK-UHFFFAOYSA-N 435.454 1.921 0 40 IDAB COC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1Cl 226686307 NWIUCUMVQCKFOS-CYBMUJFWSA-N 432.926 1.817 0 40 IDAB Cc1nc2cc(CCC(=O)N3C[C@@H](O)[C@H](n4ccc5c(C(N)=O)ccnc54)C3)ccc2[nH]1 257260933 LFCUCGLEQHDEKS-WOJBJXKFSA-N 432.484 1.697 0 40 IDAB COC(=O)C1=C(C)N=C2N=CNN2[C@@H]1c1ccc(OCC(=O)N2CCCCC2)c(OC)c1 334160735 LFGRYFLYFXKYEU-HXUWFJFHSA-N 441.488 1.793 0 40 IDAB CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)Cn1c(-c2cscn2)nc2ccccc21 506690892 TWEJEJNDHNCZII-ZIAGYGMSSA-N 433.559 1.994 0 40 IDAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCNc1ncccn1 524733185 CLEDHVSISTYIDI-HXUWFJFHSA-N 428.452 1.820 0 40 IDAB CCn1cc(CN2CCCN(C(=O)Nc3cccc4c3CCN4S(C)(=O)=O)CC2)cn1 541793868 KKJSVOQHSOJRJY-UHFFFAOYSA-N 446.577 1.965 0 40 IDAB CN(C)c1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc(N2CCOCC2)n1 575608515 UYSFSJUTZIVEOX-UHFFFAOYSA-N 446.455 1.272 0 40 IDAB CC(C)C(=O)N1CC2(C1)[C@@H](C(=O)N1CCN(C)CC1)c1ccccc1C(=O)N2C(C)C 1549174379 ANGZPVDDXFWBTM-HXUWFJFHSA-N 426.561 1.645 0 40 IDAB COc1cccc(/C=c2\sc3n(c2=O)[C@@H]2c4ccccc4O[C@](C)(N=3)[C@H]2C(C)=O)c1O 2699433 UWCGRTIBAKTOBG-LBYBVNMTSA-N 436.489 1.989 0 40 IDAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nnc12 3442890 AEXGAUSLHGJYLN-CYBMUJFWSA-N 449.558 1.192 0 40 IDAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 9466931 OEHOPHNJQFJONC-BLLLJJGKSA-N 445.588 1.576 0 40 IDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 9898776 UVJLURZMEVDKOZ-FQEVSTJZSA-N 442.541 1.782 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NCc3ccc(F)cc3)nc(C3CC3)nc2n(C)c1=O 11758113 FCJJRQREGLIYRY-UHFFFAOYSA-N 429.477 1.452 0 40 IDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1 12140273 GMINWWYIULECBV-HNNXBMFYSA-N 441.506 1.057 0 40 IDAB CN(C)S(=O)(=O)N1CCN(c2ncc(-c3ccncc3)c(-c3cccnc3)n2)CC1 12232699 OYNHKSYCRQMKPD-UHFFFAOYSA-N 425.518 1.529 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCNC(=O)c1ccccc1 12881355 MZRBHSJXFBCPRT-UHFFFAOYSA-N 447.513 1.475 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 17169854 JFXNKAROPYDVFN-UHFFFAOYSA-N 440.518 1.131 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C2=O 18038789 AACLRSKLVPBMEP-UHFFFAOYSA-N 444.460 1.165 0 40 IDAB COc1ccc(S(=O)(=O)[C@H]2CCO[C@H](CCNC(=O)c3cnc(N(C)C)nc3)C2)cc1 19712066 AGZUHVWOEBVPKH-MJGOQNOKSA-N 448.545 1.693 0 40 IDAB COc1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC 20609756 JINFHAQXGMKQFX-SFHVURJKSA-N 425.445 1.994 0 40 IDAB biogenic Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 20744285 PQHAJKGZLKLCGN-UHFFFAOYSA-N 431.470 1.519 0 40 IDAB C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 22228302 MIOOMWZPKVGAPD-INIZCTEOSA-N 431.514 1.201 0 40 IDAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccc(N2CCCCCC2)cc1 22801062 AMYOMSURQYRFNS-OAQYLSRUSA-N 434.606 1.810 0 40 IDAB CC(=O)OC1[C@H](OC(C)=O)C(=O)N(c2ccccc2C(F)(F)F)C(=O)[C@@H]1OC(C)=O 28539521 SRFRFBMTKZZFFR-GOOCMWNKSA-N 431.319 1.374 0 40 IDAB COc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 31772976 KTNFGOLMSSDANC-KRWDZBQOSA-N 445.540 1.457 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc3ccccc23)C1 31806954 RDBFEMRBRDNVRW-OAHLLOKOSA-N 442.497 1.564 0 40 IDAB Cc1c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)[nH]c2c1C(=O)CCC2 32706126 QPMJHQOUIHXBEG-UHFFFAOYSA-N 445.541 1.934 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)CCN1 32915612 BDBUGLNXAGHGRW-UHFFFAOYSA-N 425.869 1.781 0 40 IDAB O=S1(=O)CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2Br)C1 40446120 MPMGTABSZZLUHJ-MRVPVSSYSA-N 447.170 1.925 0 40 IDAB CCn1c(CN2CCN(c3cc(Cl)ccc3C)CC2)nc2c1c(=O)n(C)c(=O)n2C 57111141 KISVXWYUATUOKR-UHFFFAOYSA-N 430.940 1.738 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)N3CCN(CCn4nc(C)cc4C)CC3)CC2=O)c1 62022068 YZUJJRZMJIZQLS-IBGZPJMESA-N 425.533 1.706 0 40 IDAB Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NC[C@@H](O)Cc2ccccc2)c1 78757539 KAVWXWNANJOATI-SFHVURJKSA-N 425.514 1.879 0 40 IDAB COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cccc(CS(N)(=O)=O)c1 83843883 HGYOJXCRMNTLKP-MRXNPFEDSA-N 430.404 1.879 0 40 IDAB O=S(=O)(c1ccc(Br)cc1Cl)N(CCO)CCN1CCOCC1 95461818 FAHQJWOEQZIOGC-UHFFFAOYSA-N 427.748 1.418 0 40 IDAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCCCN1CCS(=O)(=O)CC1 95463132 QKLFGXKGUJWHTC-OAQYLSRUSA-N 443.569 1.785 0 40 IDAB O=C(CCNS(=O)(=O)c1c(F)cccc1F)NC1CCN(c2nccs2)CC1 96099802 WUOKPULFHBVDAD-UHFFFAOYSA-N 430.502 1.875 0 40 IDAB O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)[C@@H](C(=O)NC3CCCC3)[C@@]23C=C[C@H]1O3 100436250 NJLJHIDQRZZBGL-BANDYGIESA-N 441.553 1.736 0 40 IDAB COc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1C(=O)N1CCOCC1 224035576 OYYOEQADLXPMIX-UHFFFAOYSA-N 438.477 1.664 0 40 IDAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257232726 GMCRTRJSUIVVBV-IBGZPJMESA-N 431.496 1.995 0 40 IDAB C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 260941304 RXUFCLGZNAPTKQ-RHSMWYFYSA-N 445.969 1.244 0 40 IDAB CCOc1cc(CN2CC[C@@](O)(CN3CCOCC3)C2)ccc1OCCN1CCOCC1 585270880 CAVGYPBLPWQSJB-XMMPIXPASA-N 449.592 1.065 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCC(COc3ncccn3)CC2)cc1 1775969703 GZWQFNNGJPGTTG-UHFFFAOYSA-N 430.486 1.610 0 40 IDAB Cc1ccccc1OC[C@H](O)Cn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 850881 JSUGBGWTSFJOGI-QGZVFWFLSA-N 435.484 1.784 0 40 IDAB biogenic C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 3594527 DUDFTNQBHGMJSM-LJQANCHMSA-N 445.273 1.954 0 40 IDAB O=C(CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NCc1ccco1 4148790 IYVOAEVSHHCRTK-UHFFFAOYSA-N 438.484 1.522 0 40 IDAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccccc2-n2cnnn2)c(=O)[nH]c1=O 8878625 BAUDRTHYIASSPZ-UHFFFAOYSA-N 440.508 1.588 0 40 IDAB O=C(CCNC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)NCc1ccccn1 8993506 UQMUVWIOYMNLDR-UHFFFAOYSA-N 434.500 1.737 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 9041324 WLPGKGMUPYCTLI-KWZJRMENSA-N 438.527 1.767 0 40 IDAB CN(C)S(=O)(=O)c1cccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1 9092769 OBBHENCHPIJDAW-HXUWFJFHSA-N 431.470 1.633 0 40 IDAB Cc1nc(Cc2nnc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)o2)cs1 9166381 QSJMGOSVXFVYJS-UHFFFAOYSA-N 436.519 1.803 0 40 IDAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCOCC1 9222783 GWWNWTSMEOGWBH-INIZCTEOSA-N 435.546 1.746 0 40 IDAB O=C(c1ccccc1-n1cnnn1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9592877 RRSKXEYYKIKFLH-UHFFFAOYSA-N 438.513 1.298 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)O 9723102 QCAGHEZWUZTRPN-ACJLOTCBSA-N 442.534 1.720 0 40 IDAB CN1C(=O)C(=C(Nc2ccc(F)cc2)SCC(=O)N2CCOCC2)C(=O)N(C)C1=O 9974301 KYVSAHLKOYSJMR-UHFFFAOYSA-N 436.465 1.092 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)CC2)cc1 11127841 LLUMDPURLDPDNZ-UHFFFAOYSA-N 427.482 1.918 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CCCn2nc(-c3ccccc3)ccc2=O)cc1 11693299 SVDOLRXPEQLIIP-UHFFFAOYSA-N 440.525 1.697 0 40 IDAB CCOCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccccc2F)n(C)c1=O 12231745 NBZMXTCETBZTMT-UHFFFAOYSA-N 440.479 1.923 0 40 IDAB C[C@H](OC(=O)COc1cccc2c1OC(C)(C)C2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12998978 OTJHPPYDFRQIFX-ZDUSSCGKSA-N 448.497 1.997 0 40 IDAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1 13145990 IICQIYCBKLMDJX-UHFFFAOYSA-N 434.470 1.375 0 40 IDAB COc1ccc(C)c2sc(N3CCN(C(=O)[C@H]4CCCN4S(C)(=O)=O)CC3)nc12 16847907 NVWKVBVOGMBZMM-CQSZACIVSA-N 438.575 1.686 0 40 IDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C2=O)cc1 17913996 GYMCPRREQCIVLP-NRFANRHFSA-N 430.411 1.795 0 40 IDAB COCCNC(=O)c1cc([C@H]2CN(CC(=O)N3CCCCC3)CCO2)nc2ccccc12 19762229 SBYKYCARKFSAFO-JOCHJYFZSA-N 440.544 1.997 0 40 IDAB Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 19831548 BAOWZDHMZOKUMD-UHFFFAOYSA-N 430.455 1.786 0 40 IDAB CN(CCc1ccccn1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)Nc1ccc(F)cc1F 20465893 KDZXCPBBSKQKMV-FUMNGEBKSA-N 436.459 1.145 0 40 IDAB biogenic,in-vitro CN1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc3c(c2)OCO3)CC1 22851273 ICOAOIUDBLOQDC-FQEVSTJZSA-N 438.528 1.179 0 40 IDAB CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 22851603 MSEKJWLJCGEVIQ-LJQANCHMSA-N 442.491 1.670 0 40 IDAB CCCn1nc(C(=O)O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)ccc1=O 23870092 HSAHWCJZSMYECB-JTQLQIEISA-N 440.378 1.371 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4c(C)nn(C)c34)CC2)cc1 28557445 AABUTEOVLOYQMK-UHFFFAOYSA-N 443.533 1.449 0 40 IDAB CN([C@]1(c2ccccc2Cl)CCCCC1=O)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 32811057 FIBRIIIOEWRDTA-IBGZPJMESA-N 439.921 1.397 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 33047792 ARXRPRBRWWIVRX-OAHLLOKOSA-N 427.500 1.834 0 40 IDAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)N1CCC[C@@H]1C(=O)O 35807673 JOFBCJSJNSSHRO-JBZZYGANSA-N 445.516 1.655 0 40 IDAB biogenic COC(=O)c1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCC3)c2=O)cc1 49409018 WFKQBXOJJRLSHO-UHFFFAOYSA-N 433.486 1.448 0 40 IDAB CCOC(=O)[C@@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3cccc(OC)c3)NC(=O)N2)C1 67287801 KSXXJFYABFYKSQ-BEFAXECRSA-N 431.489 1.751 0 40 IDAB COC(=O)[C@H]1C[C@H](N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)[C@H](O)C1 72309039 ANSXJSKGSIRSQD-VBNZEHGJSA-N 447.351 1.068 0 40 IDAB NC(=O)[C@H]1CCCN(c2nc(N3CCOCC3)nc3c2CCN(Cc2ccccc2)C3)C1 72335708 HUGBQUOCMUGJMX-IBGZPJMESA-N 436.560 1.573 0 40 IDAB CCOc1ccccc1N(CCCC(=O)NCCCN1CCOCC1)S(C)(=O)=O 222613838 JDZDZNZSDCJZMS-UHFFFAOYSA-N 427.567 1.470 0 40 IDAB CCn1ncc(S(=O)(=O)N2[C@H]3CC[C@H]2c2cnc(N4CCC[C@@H](O)C4)nc2C3)c1C 257320630 VXPXUEVBTRWAKR-DAYGRLMNSA-N 432.550 1.413 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 408653817 FYMRAIOUMRXVPG-JDNLJYLZSA-N 430.457 1.605 0 40 IDAB O=C(O)c1cccc(C(=O)N2C[C@H]3C[C@@H](O)CN3C3(CN(C(=O)Cc4ccccc4)C3)C2)c1 514290155 UQBHXORMCJURPO-NHCUHLMSSA-N 449.507 1.100 0 40 IDAB biogenic,in-vitro O=C1CCc2cc(S(=O)(=O)NCc3nc(C4CCSCC4)no3)cc3c2N1CC3 575618384 VLZOKQAEAIRJCM-UHFFFAOYSA-N 434.543 1.994 0 40 IDAB CS(=O)(=O)c1ccc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)cc1 1549162657 UODLEJBTZXDIGP-NRFANRHFSA-N 441.553 1.981 0 40 IDAB Cc1c(C(N)=O)sc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1C(=O)OC(C)C 2803676 OQSINJXINNOIEZ-UHFFFAOYSA-N 431.536 1.331 0 40 IDAB O=C(NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCC1 3027864 NKMPIHCTNSVICE-QGZVFWFLSA-N 427.498 1.128 0 40 IDAB CC(C)CNC(=O)NC(=O)COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 3367065 DJVYSQKNDRPJJQ-MGPUTAFESA-N 437.493 1.741 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1cccnc1 9715254 VLCAXRQBKJECSY-GOSISDBHSA-N 430.530 1.448 0 40 IDAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 9726554 JPZLONWMUAPQAV-UHFFFAOYSA-N 447.469 1.316 0 40 IDAB Cc1ccc2c(c1)CN(S(C)(=O)=O)C[C@]1(CCCN(C(=O)c3cn(C)nc3C)C1)O2 12087197 HOACDKMWEYGCQM-OAQYLSRUSA-N 432.546 1.866 0 40 IDAB CC(=O)N1C[C@@H](C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)Oc2ccccc21 12762768 PBBPTVQNPFZOPK-NRFANRHFSA-N 428.533 1.347 0 40 IDAB COc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)c(OC)c1 12795297 UPRIULCCEIWERL-NRFANRHFSA-N 436.428 1.329 0 40 IDAB CNS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 13095674 VPQLMHLQNCAGBP-UHFFFAOYSA-N 449.510 1.919 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 13129771 YBTFCAJQQNPTEC-OAHLLOKOSA-N 447.513 1.757 0 40 IDAB C[C@H]1C[C@@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)C1 13144660 XVGHTSDUGWIMLB-OKILXGFUSA-N 429.550 1.498 0 40 IDAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c(=O)[nH]c1=O 13165057 BPZLSHYPPQGIPD-UHFFFAOYSA-N 437.460 1.490 0 40 IDAB O=C(Nc1cc2c(cc1Br)OCCO2)C1=CN2CCS(=O)(=O)N=C2C=C1 14123109 JPLFNGCRDNKZRO-UHFFFAOYSA-N 440.275 1.656 0 40 IDAB Cc1csc(CC(=O)N2CCN(C(=O)CCc3c(C)nc4ncnn4c3C)CC2)n1 14170640 CDDSVRIPTUIQMV-UHFFFAOYSA-N 427.534 1.352 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccco1 17094830 MUYOSAHYGNGVIT-RBUKOAKNSA-N 426.473 1.817 0 40 IDAB Cc1nc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)nc2c1CCC(=O)N2CCC(C)C 19738783 LWXQHHDMXJKQLY-MRXNPFEDSA-N 438.532 1.834 0 40 IDAB COc1ccc(OCCN2CCN(C(=O)CCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 23641215 SJDGBNVVQZIFBQ-UHFFFAOYSA-N 444.532 1.473 0 40 IDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)cc1 23674748 CHCPIIQVBBNTRQ-UXHICEINSA-N 440.606 1.847 0 40 IDAB CS(=O)(=O)N1CCCc2cc(C(=O)NC3CCN(CC(=O)N4CCCC4)CC3)ccc21 32934776 BNBSDXKDUJLNOK-UHFFFAOYSA-N 448.589 1.215 0 40 IDAB O=C(OCCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc2ccccc2oc1=O 36627564 OCJHDDJBLCHHOK-UHFFFAOYSA-N 442.493 1.956 0 40 IDAB O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)CC1 40106794 SOEAWJIMBFWSTI-UHFFFAOYSA-N 445.541 1.981 0 40 IDAB NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](C1=Cc3ccccc3OC1)NS2(=O)=O 40156511 XNSXHERUQCRLFH-MRXNPFEDSA-N 427.891 1.493 0 40 IDAB CN(CCO)c1nc(N2CCC(C(N)=O)CC2)c2cnn(-c3ccc(Cl)cc3)c2n1 40267491 AQNXKYOJNLDCEZ-UHFFFAOYSA-N 429.912 1.599 0 40 IDAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520699 JPCGQORWJJKRBI-UHFFFAOYSA-N 429.502 1.713 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)N[C@H]4CCc5ccccc54)c(=O)c3s2)CC1 67225999 KFRNUMLAORXJIA-KRWDZBQOSA-N 438.557 1.799 0 40 IDAB Cc1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)ccc1F 70924433 PDRGHVNILBPETF-UHFFFAOYSA-N 427.523 1.908 0 40 IDAB CC[C@@H](C)NC(=O)CN1C[C@H](C(=O)N(CC)CC)[C@]2(CCc3ccccc3C(=O)N2)C1 72334386 TVAUSBHGNHRFCA-PWAGRJGVSA-N 428.577 1.816 0 40 IDAB CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)n1 72337232 VSMCSIHXQRLLRS-UHFFFAOYSA-N 448.527 1.903 0 40 IDAB COCCn1nnn(-c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)c1=O 77100160 XURCCSQZYUJQGN-UHFFFAOYSA-N 429.502 1.755 0 40 IDAB COc1ccc(N2C(=O)C[C@@H](N(O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1 101026747 CXHAMAQTOXEWAJ-QZTJIDSGSA-N 439.424 1.359 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC 223860013 BTHLJPXMWANKRG-GFCCVEGCSA-N 426.516 1.498 0 40 IDAB CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 245229706 DMQBJQRBCCUDSL-UTAGEDGPSA-N 442.512 1.617 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)CC1 257213136 CGHUEOICFHUZTP-PMACEKPBSA-N 430.480 1.610 0 40 IDAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc(N3C(=O)c4cncnc4C3=O)cc2)C1 408977638 XNYYYMFDUIAACE-INIZCTEOSA-N 435.484 1.998 0 40 IDAB NC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1 409240874 QLRMIKLQVQZRSA-UHFFFAOYSA-N 443.569 1.864 0 40 IDAB COc1cc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)cc(OC)c1OC 1888928893 CSYPKFUKJRANMM-GASCZTMLSA-N 438.488 1.598 0 40 IDAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 3066322 AJWACSICDGPONH-ROUUACIJSA-N 428.553 1.717 0 40 IDAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 4144321 GRPFDCPNNYNHDW-OAHLLOKOSA-N 431.543 1.131 0 40 IDAB CCOC(=O)c1csc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)n1 6600004 RRSBAVDVIKGERH-UHFFFAOYSA-N 448.486 1.798 0 40 IDAB COc1ccc(CCNC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1OC 9125250 YRBAIKGWNZCNOF-UHFFFAOYSA-N 433.468 1.958 0 40 IDAB O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)NC[C@@H]1CCCO1 9295433 CXSZHLQXEFLVRK-INIZCTEOSA-N 430.534 1.839 0 40 IDAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1nccs1 9340264 NCORIYQIDPKUNW-ZDUSSCGKSA-N 440.522 1.828 0 40 IDAB CC(=O)c1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 9727015 VLUBOCUQFXTMDV-UHFFFAOYSA-N 433.486 1.525 0 40 IDAB CCCc1ccc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccco3)CC2)cc1 9779402 BGEWDATWBJCJLM-UHFFFAOYSA-N 433.530 1.885 0 40 IDAB Cc1nc(S[C@H](C)C(=O)NC[C@@H]2CCCO2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525616 OUIVYXKZHYXDQE-OCCSQVGLSA-N 435.550 1.230 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O)CC2 10912348 SSUVFVTUZCILOJ-UHFFFAOYSA-N 439.390 1.568 0 40 IDAB COc1ccc(CC(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 11796088 NMXURHHMFADIOS-UHFFFAOYSA-N 431.558 1.896 0 40 IDAB CC(C)NC(=O)CN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(Br)s1 12926548 YFCZMMRKPZESOP-UHFFFAOYSA-N 440.385 1.551 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1=O 13120979 KIHIHQLKKXEFOM-UTKZUKDTSA-N 433.530 1.412 0 40 IDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 13138346 HWKUSIVVFSOXGN-UHFFFAOYSA-N 444.465 1.161 0 40 IDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 14077913 JFVFABKSERMAKN-LJQANCHMSA-N 432.498 1.410 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1 15172350 FBAMWFTUMIOCMW-UHFFFAOYSA-N 427.486 1.701 0 40 IDAB Cn1cnc(C(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccc(F)cc2)c1 19290791 XVZOWXJOLGXLED-QGZVFWFLSA-N 426.452 1.193 0 40 IDAB COc1ccccc1CC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19569477 YWWBAKZJVCPXHC-KRWDZBQOSA-N 436.512 1.632 0 40 IDAB Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2cccc(Cl)c2)n(C)c1=O 20331287 FVQABJLUFQZCMU-UHFFFAOYSA-N 446.939 1.270 0 40 IDAB CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1 20480203 YFBXTOQVSDKXQD-MRXNPFEDSA-N 444.536 1.338 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)ccc2-n2cnnn2)cc1 20728755 GFSLCEVUFWEGLX-UHFFFAOYSA-N 437.279 1.002 0 40 IDAB O=C(COc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)NC1CCCC1 22852808 JBWHLHKKKLHMDF-UHFFFAOYSA-N 429.473 1.628 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 23845666 HSKCIFHFLCKCLO-JOCHJYFZSA-N 439.424 1.998 0 40 IDAB Cc1nn(CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c(=O)c2ccccc12 29671308 YJSVVYIRLOUAFF-UHFFFAOYSA-N 434.452 1.418 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 32104575 XPKLBMFMLPNHGY-KRWDZBQOSA-N 430.486 1.173 0 40 IDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 32722137 CJRFUPIFVRPNAM-UHFFFAOYSA-N 444.488 1.500 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nc3nc(C)cc(C)n3n2)C1=O 32745143 LFMMCDYPHGCLOX-FQEVSTJZSA-N 439.501 1.722 0 40 IDAB Cn1cnc2c1c(=O)n(CCCS(=O)(=O)Cc1csc(-c3ccco3)n1)c(=O)n2C 32796918 BBIZVFNCRFGGOH-UHFFFAOYSA-N 449.514 1.155 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c(=O)[nH]c1=O 32810686 YMCJWDSZGBPZMU-UHFFFAOYSA-N 429.456 1.614 0 40 IDAB Cc1ccc2c(=O)c(C(=O)N3CCOCC3)cn(CC(=O)NCc3ccc(F)cc3)c2n1 49002288 CFRIRJZJRVKLJN-UHFFFAOYSA-N 438.459 1.633 0 40 IDAB COC(=O)c1sc(Cl)cc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 59842302 YBVUJYJEBBEVFJ-UHFFFAOYSA-N 438.936 1.357 0 40 IDAB COC(=O)[C@H](CN1CCN(Cc2ccccc2)CC1)[C@@](O)(c1nccn1C)C(F)(F)F 97003101 KWGYCQSTEKBKHR-FXAWDEMLSA-N 440.466 1.777 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(OC)ccc21 100877034 HVTUCUYVSPXUPZ-DQRAZIAOSA-N 439.449 1.608 0 40 IDAB CN(c1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1)S(C)(=O)=O 225080156 BTDZQEVOIWVVMY-UHFFFAOYSA-N 437.499 1.537 0 40 IDAB CC1(C)Cc2cccc(OCC(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)c2O1 225631131 RXPADTVCLDEVII-UHFFFAOYSA-N 425.489 1.576 0 40 IDAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238889330 QLFFIIJXPQQANA-UHFFFAOYSA-N 438.453 1.514 0 40 IDAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CCCn2cncn2)CC1 257214504 CMFLHIMKYULJNR-MQSCRBSSSA-N 427.549 1.894 0 40 IDAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(S(=O)(=O)c1ccccc1OC)CC2 257312007 ULZQOUJSOWZFAX-OAHLLOKOSA-N 445.545 1.610 0 40 IDAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC 408585041 AZGCGRFSPPGPJW-UHFFFAOYSA-N 429.476 1.712 0 40 IDAB O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1N2Cc1ccccc1 575420395 HHOVPOKBRILLBN-URSFVKLHSA-N 446.594 1.336 0 40 IDAB O=C(CN1CCN(c2cc(N3CCCC3)ncn2)CC1)N1CCN(c2ccccc2)CC1 1889221309 MIKQJXUUVBIQSD-UHFFFAOYSA-N 435.576 1.548 0 40 IDAB COc1ccc(F)c(CN2CCO[C@@]3(CO[C@@H](C(=O)NCCCn4ccnc4)C3)C2)c1 2056225940 FTLKTUIMOGODAX-IFMALSPDSA-N 432.496 1.597 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(C)C)cc2)C1 2469226 CZESLENUPQZSKM-HNNXBMFYSA-N 434.518 1.534 0 40 IDAB C[C@]12CCC(=O)N1[C@H](C(=O)OCc1cc(=O)n3cc(Br)ccc3n1)CS2 3397411 SXZQAKATRVHUGV-SJCJKPOMSA-N 438.303 1.954 0 40 IDAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCCN1c1ccc(Br)cc1 6444373 NJIWNINUEDQREX-UHFFFAOYSA-N 434.250 1.286 0 40 IDAB COc1ccc(NC(=O)CSc2nncn2C)cc1S(=O)(=O)N1CCCCC1 9661922 PPVVFANASZSUCC-UHFFFAOYSA-N 425.536 1.729 0 40 IDAB COC(=O)CCn1c(=O)c2c(nc3n(-c4cc(C)ccc4OC)c(C)cn23)n(C)c1=O 9713093 SJDVIKVJIKXNHG-UHFFFAOYSA-N 425.445 1.327 0 40 IDAB COCC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCN(c3ccccc3OC)CC2)C1 12481465 CBWOBGJRXBDWFA-OALUTQOASA-N 433.549 1.793 0 40 IDAB biogenic,in-vitro Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3cc(F)cc(F)c3)CC2)cc1C(N)=O 12785925 PQASTXAYLOXOFZ-UHFFFAOYSA-N 426.445 1.442 0 40 IDAB CCOc1ccc(C(=O)NCC(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 12897808 MZXFKPWHGYNQEK-OAQYLSRUSA-N 426.469 1.958 0 40 IDAB C[C@@H](c1ccccc1)N(C)C(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12927148 YBOKMHDVJABXMA-HNNXBMFYSA-N 432.546 1.744 0 40 IDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CCNC(=O)C3CC3)CC2)c(C)c1C 12936774 IJKDTPXAZCDQKU-UHFFFAOYSA-N 435.590 1.978 0 40 IDAB Cn1c(=O)c2c(nc(NCCc3ccccc3)n2CC(=O)Nc2ccccc2)n(C)c1=O 13990343 SXZDNKAPLDJDGQ-UHFFFAOYSA-N 432.484 1.727 0 40 IDAB CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(OCc2ccccc2)cc1 14154229 YTRHTVJANCUAMB-UHFFFAOYSA-N 445.541 1.756 0 40 IDAB CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c(C(=O)OCC)c1C 16847829 RGUXJCHJIFPMDF-NSHDSACASA-N 432.520 1.772 0 40 IDAB C[C@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C)N1C(=O)c2ccccc2C1=O 18764650 FDHCCEMIZGOBHX-ZIAGYGMSSA-N 435.436 1.978 0 40 IDAB Cc1c(S(=O)(=O)N2CCO[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cnn1C 19703290 PMHHDJDVCRIARB-CQSZACIVSA-N 449.558 1.802 0 40 IDAB CCOC(=O)C1=NO[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]12 20405214 XEXNGJCOOMWSDJ-GXSJLCMTSA-N 434.758 1.469 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc(OC)cc4)c(=O)c3s2)CC1 21886436 OQEIJTJJVHSJMX-UHFFFAOYSA-N 428.518 1.642 0 40 IDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1nnc(C2CC2)n1CCC(N)=O 22749497 QOLKNNBPLZCRHH-UHFFFAOYSA-N 439.545 1.967 0 40 IDAB O=C(CN1CSCC1=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 24935495 IUVSCQOOVSIMSE-UHFFFAOYSA-N 426.545 1.552 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccccc1F 30751952 NRRZYJIJYXLVSL-UHFFFAOYSA-N 431.493 1.941 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1C 36405691 SBQRXXXWHPOVHN-UHFFFAOYSA-N 431.514 1.977 0 40 IDAB O=C(Cn1nc(-n2cccn2)ccc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 70655889 BZNRJNFYGJGSLL-UHFFFAOYSA-N 433.394 1.192 0 40 IDAB CCN1CCN(C(=O)[C@H]2CCC(=O)NC(=O)N2)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351401 MNNRJOYGPXTWSQ-NHCUHLMSSA-N 448.523 1.944 0 40 IDAB Cc1cc(C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)c(=O)[nH]c1C 72394930 AIQDGWGGNFNOPV-FUHWJXTLSA-N 426.517 1.461 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccc4)ncn3)CC2)cc1 90607852 SHVZSZNQTPQBKO-UHFFFAOYSA-N 426.502 1.737 0 40 IDAB COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)c3ccno3)CN(C)C(=O)C2)cc1 96113297 KTFIUEMQSRYTPA-IAGOWNOFSA-N 428.489 1.747 0 40 IDAB biogenic,in-vitro CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(Br)cc1 408612549 SJGSJXZXXBAXBC-UHFFFAOYSA-N 440.319 1.948 0 40 IDAB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)NC[C@H]4CCCO4)cc3C2=O)s1 408689622 SIENDKOLUGNGKQ-GFCCVEGCSA-N 430.442 1.099 0 40 IDAB COc1cc([C@H](CC(=O)NCCN2CCOCC2)c2oc(C)cc(=O)c2O)ccc1O 524731400 WDQWGDYNKAXFCQ-INIZCTEOSA-N 432.473 1.338 0 40 IDAB biogenic O=S(=O)(N1CCCC1)N1CCCN(c2ccc3nnc(-c4cccnc4)n3n2)CC1 1775972911 CDTVPYMADGMLQV-UHFFFAOYSA-N 428.522 1.039 0 40 IDAB COc1ccc2c(=O)n(CC3CCN(S(=O)(=O)c4c(C)nn(C)c4C)CC3)cnc2c1 1889252049 DPKKEICLKJZVSK-UHFFFAOYSA-N 445.545 1.856 0 40 IDAB O=C1NCCNC(=O)[C@@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1cccnn1)C2 2037818662 HODYAHBXMFPQOX-DEOSSOPVSA-N 449.511 1.584 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)NC3CCCC3)n2Cc2ccc(F)cc2)n(C)c1=O 930532 SBDNUGYXIVTSCF-UHFFFAOYSA-N 445.520 1.772 0 40 IDAB COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 3408612 ZWOZHAXLGFYSPX-QFIPXVFZSA-N 425.441 1.593 0 40 IDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 6203218 AVCYYJSEDUKFTM-GFCCVEGCSA-N 444.560 1.554 0 40 IDAB CN(CC(=O)NCC(=O)Nc1ccccc1Br)S(=O)(=O)c1cccs1 8939217 VQOMECGNIFNMRA-UHFFFAOYSA-N 446.348 1.886 0 40 IDAB O=C(c1cc(S(=O)(=O)NCc2ccco2)ccc1Br)N1CCOCC1 9590525 QPHKIQJKMIGMRV-UHFFFAOYSA-N 429.292 1.993 0 40 IDAB Cc1ccc(C(C)C)c(OC[C@H](O)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385506 RLIWZHCDDIYGHH-MRXNPFEDSA-N 441.532 1.895 0 40 IDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cn2cncn2)cc1 10816267 DEZNXRNFTFYOAS-UHFFFAOYSA-N 427.486 1.600 0 40 IDAB O=C(CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)Nc1ccc2c(c1)OCO2 11337600 YRKJBZIKYPJHOF-HNNXBMFYSA-N 447.517 1.753 0 40 IDAB CC(C)(C)n1ncc2c(=O)n(CCC(=O)N3CCN(C(=O)c4ccco4)CC3)cnc21 11693259 NPSKXVIONPDPQN-UHFFFAOYSA-N 426.477 1.316 0 40 IDAB COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccccc2F)n(C)c1=O 12231744 HJJVVWZSHRCURC-UHFFFAOYSA-N 426.452 1.533 0 40 IDAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2C)c1 12508132 YROOSCQOEYXEKW-UHFFFAOYSA-N 431.430 1.345 0 40 IDAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12677782 BTYIYMPVZOYVBX-UHFFFAOYSA-N 431.967 1.985 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccc(F)cc3)CC2)cc1 14342756 ZLFHOMGPQHTUJJ-UHFFFAOYSA-N 448.520 1.466 0 40 IDAB C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)C12CC3CC(CC(C3)C1)C2 16162414 SBBVKIGJEPKJGT-TWLOVUBOSA-N 442.516 1.541 0 40 IDAB C[C@@H]1CCc2c(sc3ncn(C4CCN(C(=O)CN5CCNC5=O)CC4)c(=O)c23)C1 19497205 NYDPVQQVIXYYQB-CYBMUJFWSA-N 429.546 1.772 0 40 IDAB C[C@@H](NC(=O)C(C)(C)c1ccc(F)cc1)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 19575398 MKXFGVPWMINITR-CABCVRRESA-N 440.537 1.460 0 40 IDAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1F)C(=O)OC 20745884 DSYUJWZJRZLQML-YJBOKZPZSA-N 436.415 1.840 0 40 IDAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 21839805 FHHHJAPFQCEULW-UHFFFAOYSA-N 438.506 1.891 0 40 IDAB O=C(COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccco2)n1)NCc1ccco1 22623513 YOVBJJNVGIHKBK-UHFFFAOYSA-N 441.396 1.214 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)NC(=O)N[C@@H]1C 22869953 FIKGGFAVGPCJBK-HIFRSBDPSA-N 429.473 1.664 0 40 IDAB CCc1ccccc1N1C[C@@H](C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1=O 30644199 LRWAJQQFSREULL-FQEVSTJZSA-N 436.560 1.720 0 40 IDAB CCOC(=O)Nc1cccc(C(=O)OCC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1 32858399 OILCJALTEBMVIV-KRWDZBQOSA-N 427.413 1.691 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)C(C)(C)C)n2Cc2ccccc2Cl)n(C)c1=O 35291114 JABPCYYNLUNJSK-UHFFFAOYSA-N 446.939 1.710 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)NCC(=O)Nc1nnc(Cc2ccccc2)s1 36360068 DNJPRLDZJPLOGS-UHFFFAOYSA-N 434.481 1.594 0 40 IDAB O=C1C[C@H](c2ccccc2O)Cc2c1cnc1nc(NCCN3CCOCC3)[nH]c(=O)c21 38829521 QKGIALZQXQYOEK-CQSZACIVSA-N 435.484 1.681 0 40 IDAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCN(c4ccccn4)CC3)CC2)Nc2ccccc21 72325947 QUBOUAYLGBIQST-XMMPIXPASA-N 448.527 1.295 0 40 IDAB O=c1ccc(-n2ccnc2)nn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 77197058 MDJFRKAVAKPDBJ-UHFFFAOYSA-N 429.380 1.306 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc1OC 85420718 WNDGURXLUQSKEF-BOWONNERSA-N 439.468 1.646 0 40 IDAB CCc1ccc2c(c1)[C@@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 105379214 WZMLRSVHAXQUKU-VPNCNIILSA-N 433.508 1.593 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)Cc2ccccc2)cc1 408618873 HKTPQOOODSXECU-UHFFFAOYSA-N 431.558 1.634 0 40 IDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575426739 ZDULZBCVZCUOJT-JKSUJKDBSA-N 440.499 1.064 0 40 IDAB CCCCC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@H]1CC(C)C 643586347 PQLLPMPDVDOKDI-YYTDSSBASA-N 444.613 1.816 0 40 IDAB COc1cc(C(=O)N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)cc(OC)c1OC 1888897191 KDKJKWXXEIOAFO-KBPBESRZSA-N 432.452 1.864 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)cc1Cl 1888920886 AYROMYVGCMNXCY-ZIAGYGMSSA-N 448.936 1.852 0 40 IDAB CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)O 2125019 GLNCOTXYXGERHA-YUNKPMOVSA-N 444.484 1.701 0 40 IDAB biogenic COc1cccc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 3204668 UXIASFBLBGTZFW-UHFFFAOYSA-N 448.497 1.303 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(=O)NC[C@H]3CCCO3)CC2)cc1 4325445 QXPDDJLKCHUTBD-SJLPKXTDSA-N 437.562 1.196 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)Cn3nc(C)nc3C)CC2)c(C)c1 8714474 BNIQUXOHPPDKNJ-QGZVFWFLSA-N 433.578 1.989 0 40 IDAB CCOC(=O)CNC(=O)CSc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1 8823136 JUPTUUYVARCSKG-UHFFFAOYSA-N 440.503 1.579 0 40 IDAB CC(C)CCn1cnc2c1c(=O)n(CC(=O)N1CCNC1=O)c(=O)n2Cc1ccccc1 9126476 DAFRALISYWOLPA-UHFFFAOYSA-N 438.488 1.006 0 40 IDAB CN(CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)Cc1ccc(F)cc1 9508848 XYGUFJWHOFUHPC-UHFFFAOYSA-N 425.464 1.401 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(-n2cncn2)cc1 9684235 AENVQDPNGUIGPG-UHFFFAOYSA-N 427.486 1.218 0 40 IDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 10054486 PSNCMJDEBNVODJ-ZDUSSCGKSA-N 432.488 1.836 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)CCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1 12407926 MKJNGVFLNQUJFC-UHFFFAOYSA-N 440.953 1.364 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)n(C)c1 12746665 IEODZXNQJGAVSI-UHFFFAOYSA-N 449.529 1.889 0 40 IDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CN3C(=O)CCOc4ccccc43)CC2)C1 12915918 JEPAJCOHMYNAQN-KDURUIRLSA-N 442.560 1.451 0 40 IDAB CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)c3cccn3C)cc2C1=O 13062638 UOUWGMYHCVTSPQ-UHFFFAOYSA-N 425.441 1.781 0 40 IDAB NS(=O)(=O)c1ccc(C(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 13797326 SJWZBNLRKUQUNQ-UHFFFAOYSA-N 430.461 1.517 0 40 IDAB C[C@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 14242322 KKPORHZSUVLLTN-ZDUSSCGKSA-N 439.534 1.489 0 40 IDAB CCCCn1c(N)c(N(CCC)C(=O)Cc2n[nH]c(=O)c3ccccc23)c(=O)[nH]c1=O 14698924 HQRBYBKZXVRQAI-UHFFFAOYSA-N 426.477 1.141 0 40 IDAB CCN(C(=O)Cn1nnc(-c2ccc(Br)cc2)n1)[C@@H]1CCS(=O)(=O)C1 15481677 OJBIOJAVADDFJZ-CYBMUJFWSA-N 428.312 1.138 0 40 IDAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2n[nH]c(=O)[nH]2)CCO1 19580693 LWEUCTRCXXPWEH-HSZRJFAPSA-N 435.484 1.307 0 40 IDAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC(c2ncc(C(=O)NC)c(C)n2)CC1 19766450 JCIKFUZTTSEEEH-UHFFFAOYSA-N 430.530 1.958 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22380325 NVPULAWRQNPAAW-UHFFFAOYSA-N 445.950 1.995 0 40 IDAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)n(N)c2=O)cc1OC 27546445 SZMWYNAPVLNOGL-UHFFFAOYSA-N 441.513 1.999 0 40 IDAB CCCCn1c(N)c(N(CC)CC(=O)NC(=O)Nc2ccc(C)cc2C)c(=O)[nH]c1=O 29684811 VYNGLKIENZBTOC-UHFFFAOYSA-N 430.509 1.710 0 40 IDAB CCOC(=O)C1=C(CN2C[C@@H](C(=O)NC)Oc3ccccc32)NC(=O)N[C@@H]1c1ccco1 32764730 JQQFAYJWMQQASX-PKOBYXMFSA-N 440.456 1.464 0 40 IDAB Cc1cccc(N2C(=O)[C@H]3[C@@H](C(=O)NC4CC4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCC2)c1 33939992 URIUFZZOHPBRSB-GBHCNSOCSA-N 435.524 1.987 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 38836435 OWEXMJDKSZTUIF-OAHLLOKOSA-N 431.898 1.168 0 40 IDAB COc1ccc(OC)c(/C=C2\SC(=O)N(CCC(=O)N[C@H]3CSC[C@@H]3O)C2=O)c1 54361022 KIWVNOHTHHVOLH-RJLQUFMYSA-N 438.527 1.723 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3ccccc3F)CC1)n2Cc1ccccc1 57140225 NAJRKVZNOAZKNT-UHFFFAOYSA-N 448.502 1.933 0 40 IDAB CN(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 57773635 ACRIGBFMNDEZDD-YADHBBJMSA-N 438.572 1.627 0 40 IDAB CC1(C)CC(=O)N(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1=O 57995748 LUBMVKHSMACLBJ-UHFFFAOYSA-N 444.351 1.498 0 40 IDAB COC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 67287723 QAZOFRQCFGJOJS-LJQANCHMSA-N 447.488 1.324 0 40 IDAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1C 95476645 IIYNSOMSEKDFDZ-GOSISDBHSA-N 441.484 1.933 0 40 IDAB C[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)C[C@H]3C(=O)Nc2ccc3c(c2)OCCO3)C1 139080628 IQTNHDJWZGEDLH-TZMCWYRMSA-N 439.472 1.842 0 40 IDAB COc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 219989599 SCCDKFIPTAQYNU-INIZCTEOSA-N 434.514 1.913 0 40 IDAB O=C1CN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](COc4ccccc4)C3)cc2)CCN1 504166535 RCBLCUKIIUKBJL-QGZVFWFLSA-N 443.525 1.348 0 40 IDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1ccc(S(N)(=O)=O)cc1 524734355 VUUFRZPARXXBOD-CDXJDZJCSA-N 429.498 1.103 0 40 IDAB CC(=O)N1CC[C@@](C)(C(=O)NCC2CCC(CNC(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)C1 531087717 CGDZOVODFPXYRG-KBTIEJEYSA-N 448.608 1.542 0 40 IDAB Cn1cnc(-c2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)n1 546549911 UWLIWFMYSKAAOQ-UHFFFAOYSA-N 425.514 1.965 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2ccc(C(C)=O)cc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 8765253 YFPZJQZIRKMAKS-LDENHOCBSA-N 427.453 1.973 0 40 IDAB biogenic CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2nn(CC)c(=O)c3ccccc23)CC1 8806702 IUHIXFRRZUCBRG-AWEZNQCLSA-N 429.473 1.763 0 40 IDAB CC(C)(C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 8942870 BLSWHLNVBQDFKP-UHFFFAOYSA-N 440.547 1.764 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)N(C)Cc2ccccc2)[C@@H](C)O)cc1 9052064 FCUGJRISIZQPDB-OXQOHEQNSA-N 434.514 1.225 0 40 IDAB O=C(NCc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9305339 NRPRODNNBZINSK-SFHVURJKSA-N 442.541 1.926 0 40 IDAB COCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N(C(C)C)C(C)C)c2ccccc12 9519938 XHKDZVAOCDPGKA-UHFFFAOYSA-N 437.562 1.823 0 40 IDAB NC(=O)c1nn(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(=O)c2ccccc12 9594405 NPLJHFMKMSTQET-KRWDZBQOSA-N 434.452 1.630 0 40 IDAB CN(CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)Cc1nc2ccccc2o1 9951013 QIVZGNODWJJGCZ-UHFFFAOYSA-N 448.483 1.403 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCNC(=O)N2CCc3c([nH]c4ccccc34)C2)CC1 12322211 VXMLEOYBVOVYRV-UHFFFAOYSA-N 427.505 1.926 0 40 IDAB biogenic Cc1ccccc1[C@H](OC[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 12535236 GMDDPZXFZRNDNK-GHTZIAJQSA-N 434.496 1.909 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2=O)c1 12553008 DCPPLPZBBMIHED-IBGZPJMESA-N 437.496 1.837 0 40 IDAB CCCn1c(=O)n(CCC(=O)NCc2ccc(CS(=O)(=O)NC)cc2)c2ccccc21 12844574 DFUXYYNKQBHVIO-UHFFFAOYSA-N 444.557 1.969 0 40 IDAB NC(=O)c1nn(CC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c(=O)c2ccccc12 12891333 IPCNDAARRXXQTI-UHFFFAOYSA-N 442.859 1.627 0 40 IDAB CCn1cc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(=O)OC)c(C)n1 13143474 XKWVEXZLFVLRPN-JOCIAKSLSA-N 438.509 1.384 0 40 IDAB CCOc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 13669059 DDWPMILFNFRBFZ-UHFFFAOYSA-N 445.541 1.890 0 40 IDAB CC(=O)O[C@H](COc1ccccc1)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 13990341 KALOVFSCFQHMHD-LBPRGKRZSA-N 437.250 1.197 0 40 IDAB CCn1cc(S(=O)(=O)N2C[C@@H](c3ccnc(N4CCCC4)n3)[C@H](CN(C)C)C2)c(C)n1 19524671 KRKIOFDHEZUPIU-QZTJIDSGSA-N 447.609 1.568 0 40 IDAB C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)N[C@H]2CCCOC2)[C@H]1C(=O)NCc1ccncc1 19576106 QNGGNGOORZCHDL-MKSPYTNGSA-N 436.512 1.710 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(S(=O)(=O)c3ccc(C)cc3)C1)C2=O 19700774 JHQQZJUELSAXKS-QGZVFWFLSA-N 434.562 1.554 0 40 IDAB COCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C3 19821255 QHQQUEAELIQKLQ-ZDUSSCGKSA-N 425.441 1.661 0 40 IDAB COC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 20005731 YUMDHBOPGDILGI-YJBOKZPZSA-N 436.530 1.745 0 40 IDAB Cc1ccc(C)c(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1 22379314 POYBOEFOWOMSQH-UHFFFAOYSA-N 439.559 1.958 0 40 IDAB CCc1ccc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1 22383453 UYGVUVDHCUNVGU-UHFFFAOYSA-N 439.559 1.904 0 40 IDAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23674845 BPNRVOONFJCOQO-OAQYLSRUSA-N 447.601 1.828 0 40 IDAB O=C(NC[C@@H]1CCCO1)c1nnsc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33435742 HGZQHCFOWDSHNS-RDBSUJKOSA-N 444.517 1.260 0 40 IDAB COc1ccc(NC(=O)C(=O)NCCN2CCCCC2)cc1N1CCCCS1(=O)=O 36358652 HFDHOLCPZIWQEJ-UHFFFAOYSA-N 438.550 1.166 0 40 IDAB COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)c3cnccn3)CN(C)C(=O)C2)cc1 96113300 ZDPBAYZNYMPLSP-QZTJIDSGSA-N 439.516 1.549 0 40 IDAB biogenic,in-vitro COCCN1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(S(=O)(=O)c2cccc(F)c2)CC1 96262228 BCVBHRAHKSKBGD-ZWKOTPCHSA-N 425.526 1.015 0 40 IDAB CCOC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccn(CC)n3)c(=O)n12 101609223 ROQWYKIZHBRCMY-YOARONFBSA-N 438.509 1.466 0 40 IDAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 223184557 VSGCYTXCNKNXDI-HXUWFJFHSA-N 449.548 1.793 0 40 IDAB CSc1cccc(N2C[C@H](C(=O)NCCn3cc(-c4nc(C)no4)nn3)CC2=O)c1 225583644 MQNMQGCTYIKBIE-CYBMUJFWSA-N 427.490 1.528 0 40 IDAB O=C(NC1CC1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(C1CCCC1)[C@H]3C(=O)NC1CCCCC1 245230512 TUORRBUWABAHCA-YZNWFPQRSA-N 427.545 1.807 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H]4CCCC[C@H]43)CC2)c(-c2ccncc2)n1 248120867 KDZOBNCVHMVGMD-DZFIZOCASA-N 429.546 1.751 0 40 IDAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)c1ccc3c(c1)OCCO3)CC2 257250730 JNUVFCFJFQQTQZ-INIZCTEOSA-N 437.500 1.824 0 40 IDAB COc1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C 257313717 UTULBAWDGCVZFJ-UHFFFAOYSA-N 432.907 1.718 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc1 408672307 VKJZSCXBGFIVCG-INIZCTEOSA-N 439.424 1.148 0 40 IDAB COC(=O)CN1C(=O)/C(=C/c2cc(I)c(O)c(OC)c2)NC1=S 409209435 GZPCISIYUNAURM-WTKPLQERSA-N 448.238 1.236 0 40 IDAB Cc1ccc(Cl)cc1S(=O)(=O)N(c1cccc(O)c1)[C@@H]1CS(=O)(=O)C[C@H]1O 575425951 JNGYGZPTEGXCOS-HZPDHXFCSA-N 431.919 1.707 0 40 IDAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC3Cc4ccccc4C3)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 604381790 ONZWZZHIWWKCGE-YQSOIZMPSA-N 440.515 1.875 0 40 IDAB biogenic,in-vitro NC1=NC(=O)[C@H](CC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)S1 3331532 WDUQXKHBFMQLDC-INIZCTEOSA-N 426.454 1.995 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(N)=O)CCC4)C2=O)cc1 9051592 BMWZMXGNWDNLAQ-NRFANRHFSA-N 442.497 1.750 0 40 IDAB O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCN(C(=O)c2cccs2)CC1 9056468 SDCWJHIPCBJVPQ-UHFFFAOYSA-N 430.515 1.506 0 40 IDAB CN(Cc1ccccc1N1CCOCC1)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 9338623 FBSFVGIRWORYRC-UHFFFAOYSA-N 442.541 1.563 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC[C@H]3CCCO3)nc(-c3ccccc3)nc2n(C)c1=O 9382380 YOKDMDLHXGKJKN-CQSZACIVSA-N 441.513 1.082 0 40 IDAB CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)n2cnc3c2c(=O)n(C)c(=O)n3C)c1 9477739 AGUTZTHNFVJCIM-GOSISDBHSA-N 431.452 1.864 0 40 IDAB COCOC(=O)[C@@H]1N2C(=O)[C@H](N3C(=O)[C@@H](c4ccc(O)cc4)NC3(C)C)[C@H]2SC1(C)C 11726764 XMNFWSAYWSUJMH-LDDOYCOJSA-N 449.529 1.179 0 40 IDAB biogenic COC(=O)[C@@](O)(COC(=O)c1cccc(Cl)c1)[C@](O)(c1nccn1C)C(F)(F)F 12558704 HALOWZHOEAFVJB-JKSUJKDBSA-N 436.770 1.585 0 40 IDAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccccc1 12747126 FUODMGRVUBUQAL-UHFFFAOYSA-N 434.493 1.158 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)NC(=O)N[C@H]1C 13112298 JPMWVDHIXDOVGK-DZGCQCFKSA-N 429.473 1.664 0 40 IDAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 13164352 KBGSEJYHLQPJEX-UHFFFAOYSA-N 436.468 1.804 0 40 IDAB CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 13692011 GPLCAEPYNLSMQM-QWHCGFSZSA-N 432.365 1.612 0 40 IDAB Cc1nn(Cc2ccc(C(=O)Nc3cc(=O)n(C)c(=O)n3C)o2)c(C)c1Br 27980710 UJLFWRLLGNJXGL-UHFFFAOYSA-N 436.266 1.553 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 35351275 AYLQHUWEPBZEBD-UHFFFAOYSA-N 449.920 1.455 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 57415589 ILMWGOUCBPDTTJ-SFHVURJKSA-N 426.452 1.219 0 40 IDAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)N1CCC(N2CCNC2=O)CC1 58174529 INDBKPQYKFCJOA-IBGZPJMESA-N 428.581 1.786 0 40 IDAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](Cc3ccccc3)C(=O)O)n2)c(F)c1 71334392 SERWTHKECZDULB-LJQANCHMSA-N 425.416 1.870 0 40 IDAB NC(=O)COC1CN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)C1 72312282 IVCXDZWKPFWYSY-UHFFFAOYSA-N 445.570 1.943 0 40 IDAB O=C(Nc1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)co1)c1cnccn1 77196593 HITSCEYGWIELJG-UHFFFAOYSA-N 436.428 1.404 0 40 IDAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cc1NC(=O)N[C@@H]1CCC[C@@H]1C(N)=O 78947522 WAPZNVFUDKASKT-CAOSSQGBSA-N 430.509 1.546 0 40 IDAB CNC(=O)CN1Cc2c(C(=O)N3CCCCCC3)ncn2-c2ccccc2S1(=O)=O 96147495 ZPAXOLLRXXLOPW-UHFFFAOYSA-N 431.518 1.139 0 40 IDAB COc1cc(CNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc(OC)c1OC 219444324 CKKNMRAVBUSXEO-UHFFFAOYSA-N 448.497 1.954 0 40 IDAB Cc1cc(S(=O)(=O)N2CCN(CC(=O)c3ccc4c(c3)NC(=O)CO4)CC2)ccc1F 223810024 ULMSHMHWKITNGK-UHFFFAOYSA-N 447.488 1.654 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@H]3CCCOC3)CC1)O2 248336446 OJVRJHUKHZYTNX-SAHWJRBASA-N 429.517 1.552 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc(O)c4c(n3)CN(C(=O)C3CC3)CC4)C2)CC1 257201625 AIIWSAXHZNLGBY-ULQDDVLXSA-N 428.533 1.998 0 40 IDAB COc1ccccc1[C@H]1CN(CC(=O)Nc2ccc3c(c2)oc(=O)n3C)CCN1C(C)=O 257311321 UIXRNFFVCHNBMI-LJQANCHMSA-N 438.484 1.984 0 40 IDAB COCC(=O)NCc1ccc([C@@H]2CN(C)C[C@H]2C(=O)NCCc2ccc(OC)cc2)cc1 257316775 VGYQFTZMINLPFS-XZOQPEGZSA-N 439.556 1.962 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3cnn(C(C)C)c3)C2)cs1 306123360 AKYSGPMEUKTPDO-NRFANRHFSA-N 441.561 1.543 0 40 IDAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(C[C@@H](O)C2(O)CCOCC2)CC1 1559757826 NAVKKCJWRDEBPT-QGZVFWFLSA-N 433.332 1.419 0 40 IDAB O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)=C(O)[C@@H]1O 1560408835 RQYCATXZFQTVHQ-HFSMHLIXSA-N 444.348 1.748 0 40 IDAB O=C(NCC1CC1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)c2cnn3ccccc23)C1 2055793388 WNTNTOZYNUBCHQ-QHCPKHFHSA-N 433.516 1.934 0 40 IDAB NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](c1ccccc1OC(F)F)NS2(=O)=O 3240783 FFUWXHBFNQESMW-ZDUSSCGKSA-N 439.849 1.991 0 40 IDAB CCNC(=O)[C@@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 9125051 UXQSRDAHDKBODS-CZUORRHYSA-N 435.525 1.996 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 9609219 VAFYITGQKLXGIM-KRWDZBQOSA-N 435.546 1.115 0 40 IDAB CC(=O)N[C@@H]1[C@@H](Sc2ccccc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 9974837 VADVOLSTRCVERX-CENDIDJXSA-N 439.486 1.435 0 40 IDAB COc1ccc(S(=O)(=O)NCCCC(=O)O)cc1N(C)S(=O)(=O)c1ccccc1 10435108 ODYWERDPXDIZOJ-UHFFFAOYSA-N 442.515 1.663 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1 11385265 VOCGGCNCCQLFEM-UHFFFAOYSA-N 439.534 1.601 0 40 IDAB COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 12232090 CMXXRZFHRXZDSD-UHFFFAOYSA-N 440.479 1.841 0 40 IDAB Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)COc3ccc(F)cc3)CC2)c1 12445089 PLJDGHPPCZCWMR-UHFFFAOYSA-N 435.521 1.781 0 40 IDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)C1 12635337 NHFPCQDLLBQOFG-HNNXBMFYSA-N 444.575 1.871 0 40 IDAB CC(=O)N1C[C@H](C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)Oc2ccccc21 12762772 PBBPTVQNPFZOPK-OAQYLSRUSA-N 428.533 1.347 0 40 IDAB CCOC(=O)C1=C(CN(C)Cc2nc3ccccc3c(=O)[nH]2)NC(=O)N[C@@H]1c1ccco1 12890134 GROIACZJVVYKBD-LJQANCHMSA-N 437.456 1.819 0 40 IDAB CN(C)CCCNC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 13669558 ZMXWHLZADWRZTK-UHFFFAOYSA-N 444.601 1.875 0 40 IDAB CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C(=O)OCC)CC1 14197569 RKTNKFGYHMPOFH-UHFFFAOYSA-N 429.477 1.762 0 40 IDAB Cc1cc(NC(=O)C[S@](=O)CC(=O)Nc2c(C)cccc2C)ccc1-n1cnnn1 15935835 HNNWFVIRECQWLC-SSEXGKCCSA-N 426.502 1.913 0 40 IDAB O=C(CNC(=O)c1ccccc1F)OCCCOC(=O)CNC(=O)c1ccccc1F 18285936 NDPHQQHCUXSWAN-UHFFFAOYSA-N 434.395 1.601 0 40 IDAB Cc1nn(C(C)C)cc1S(=O)(=O)N(C)Cc1ccc([C@H]2CN(C)C[C@@H]2C(N)=O)cc1 19698760 JKZZKXJSXCSSJD-MOPGFXCFSA-N 433.578 1.724 0 40 IDAB COc1cc(CNCCCSc2nnnn2-c2ccccc2)ccc1OCC(N)=O 22108871 FEJZUYVAEDWNBM-UHFFFAOYSA-N 428.518 1.807 0 40 IDAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(OC)c2)N2CCN(C)CC2)cc1 22778542 BKLOYPXTRRRSAI-OAQYLSRUSA-N 426.517 1.747 0 40 IDAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 24864502 GBIARMBWWVDJTO-UHFFFAOYSA-N 431.470 1.236 0 40 IDAB COc1ccc(C(=O)Cn2cccc3c(=O)n(Cc4ccccn4)c(=O)nc2-3)cc1OC 32615378 JEVSIJUONWTNCI-UHFFFAOYSA-N 432.436 1.853 0 40 IDAB C[C@H](NC(=O)C1CC1)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 32778302 ICVVXMZVYFGXMV-ZDUSSCGKSA-N 442.438 1.583 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(CC(N)=O)c4ccccc34)C2=O)o1 33745144 VUUKPGBKYWXDKB-SXGWCWSVSA-N 436.424 1.908 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)nc4onc(C)c34)CC2)cc1 36352746 YESPHTMGDQAZQN-UHFFFAOYSA-N 430.486 1.995 0 40 IDAB CCOC(=O)C1=C(CN2CCCN(C)CC2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 67286774 XRVQRFKETQAWTG-OAQYLSRUSA-N 446.548 1.903 0 40 IDAB Cc1nonc1CC(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325535 WWBSKHBKSIXPCQ-HXUWFJFHSA-N 431.880 1.907 0 40 IDAB O=C(C1CCOCC1)N1CCc2nc(C3CCN(CC4=CCCOC4)CC3)[nH]c(=O)c2C1 72398757 IQLUDYZWTGEBFY-UHFFFAOYSA-N 442.560 1.607 0 40 IDAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c1 95462384 ZHZMQRGYIBXIQH-IBGZPJMESA-N 431.456 1.338 0 40 IDAB COc1cccc(CN2C[C@@]34CN(C(=O)c5ccccc5)C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 96145945 RNHHJBTXMNSECA-URVUXULASA-N 428.510 1.893 0 40 IDAB CCNC(=O)N1CCN(CC(=O)Nc2ccc(I)cc2C)CC1 96966736 RTHOYMZQDHCZCT-UHFFFAOYSA-N 430.290 1.885 0 40 IDAB CCCN1CCC(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 104908480 RZQXGEQCFCKMCP-UHFFFAOYSA-N 435.594 1.747 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](N2CCc3ccccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 105167469 RTRYJIOTUZUULJ-KGWSWXIGSA-N 449.456 1.132 0 40 IDAB Cc1ccc(-c2noc(CNC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)n2)cc1 219672186 RKAGBOLQOLHNBM-UHFFFAOYSA-N 426.454 1.896 0 40 IDAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222908239 UDWKHQXHVREPAM-GOSISDBHSA-N 431.558 1.821 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1cccc(F)c1 224719869 BYYCOQRRCRCRRF-UHFFFAOYSA-N 435.521 1.740 0 40 IDAB Cn1cc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CN[C@@H]3C=CS(=O)(=O)C3)CC2)n1 257234461 GTPNNFNMZJEONX-BHIYHBOVSA-N 443.573 1.772 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)COc3ccc(F)c(Cl)c3)CC[C@@H]2O)CC1 257261339 LGWTULJPOAXUJT-OALUTQOASA-N 427.904 1.374 0 40 IDAB Cn1c(=O)n(C)c2cc(NC(=O)CN3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)ccc21 257282299 OTFFWBLJPLFPQZ-REWPJTCUSA-N 442.491 1.859 0 40 IDAB COc1ccccc1N1CCN(C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)CC1 408706410 OBIJJESORIUMSP-UHFFFAOYSA-N 447.557 1.814 0 40 IDAB CS(=O)(=O)c1ccc(CN2CC3(C2)OC(=O)N2CCN(Cc4ccccc4)C[C@@H]23)cc1 1549162659 UODLEJBTZXDIGP-OAQYLSRUSA-N 441.553 1.981 0 40 IDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 705004 SPXDXUUUBFGVIB-LJQANCHMSA-N 433.461 1.124 0 40 IDAB CC(C)[C@H](OC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC(N)=O 3426167 SZUFTFSDDKIZFC-SFHVURJKSA-N 437.452 1.902 0 40 IDAB CC(C)(O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 8298844 LCQRYAPCJLNMCW-BBWFWOEESA-N 427.505 1.261 0 40 IDAB biogenic,in-vitro CC(=O)O[C@H]1C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H]3[C@H](C[C@@H](C)[C@@H]12)OC(=O)[C@@H]3CN1CCCC1 8739994 MOYOJTXMWPQGBG-RSQUBLDASA-N 437.533 1.530 0 40 IDAB biogenic C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O 9336572 LKIYDXOXTSIATL-JOCHJYFZSA-N 447.455 1.936 0 40 IDAB O=C(Cn1cnc2c(nnn2-c2ccc(OC(F)(F)F)cc2)c1=O)NC[C@@H]1CCCO1 9517808 SBBNKVRIPGQGOS-ZDUSSCGKSA-N 438.366 1.171 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 9539479 ZBVAFAVRNLLUIC-GOSISDBHSA-N 434.470 1.567 0 40 IDAB COc1ccc(N2C[C@H](NC(=O)NC[C@@H]3COc4ccccc4O3)CC2=O)cc1OC 9568853 BRMBBUSAHZTZOL-GDBMZVCRSA-N 427.457 1.948 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)c(Cl)c2)n(C)c1=O 10102292 CLVCQBCOMCYNQR-UHFFFAOYSA-N 447.879 1.664 0 40 IDAB CNC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)CC1 10273925 UNZRPOMYFVXMCT-UHFFFAOYSA-N 446.573 1.836 0 40 IDAB CCN(CC(=O)Nc1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430676 ZIHKCTNOIYBHLC-UHFFFAOYSA-N 437.456 1.361 0 40 IDAB CCN(Cc1cc(=O)n2c(C)csc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10431094 STLCMOITHXZJBN-UHFFFAOYSA-N 438.513 1.571 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cnccn3)CC2)cc1 11545384 KLOADSGUISUBQG-UHFFFAOYSA-N 431.562 1.789 0 40 IDAB Cc1nc(N2CCOCC2)ncc1C(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 12222883 PTGYNURBLBAISH-UHFFFAOYSA-N 436.516 1.639 0 40 IDAB Cn1c2c(c(=O)n(C)c1=O)[C@@](O)(c1ccc(Br)cc1)N=C1SC=CN1C2 12427883 BBUIUGSIUPUCCT-KRWDZBQOSA-N 435.303 1.430 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1cccc(Cl)c1 13640136 UZFVUFJOAJVKQP-IRXDYDNUSA-N 442.907 1.658 0 40 IDAB Cc1cnc2c(C(=O)N3CCO[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)cnn2c1 19747239 ZJPHUIHCOVFOQU-FQEVSTJZSA-N 434.500 1.228 0 40 IDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C 20428147 KOXJXLNHPRYXKZ-UHFFFAOYSA-N 427.413 1.293 0 40 IDAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc3c(c1)C(=O)N(C)C3=O)C2=O 24020868 IPOLQQKTYIWBGT-IPQOISQHSA-N 426.473 1.988 0 40 IDAB CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 24612617 DNIBUIINTVAOLB-UHFFFAOYSA-N 441.525 1.668 0 40 IDAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 32736634 CDHHMAMWCTYGEP-UHFFFAOYSA-N 443.412 1.655 0 40 IDAB CNC(=O)Nc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 40139188 KSACJVWQFDIVEA-UHFFFAOYSA-N 445.545 1.691 0 40 IDAB O=C(NCc1ccc(F)cc1)C(=O)NCC1CCN(C(=O)COc2ccccc2)CC1 43941732 LVXLULRYJFPDFB-UHFFFAOYSA-N 427.476 1.876 0 40 IDAB O=C(NCCN1CCS(=O)(=O)CC1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 65474578 CJJYDZFJFVVZRI-CQSZACIVSA-N 434.484 1.163 0 40 IDAB Cc1nc(-c2cccc(F)c2)n(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c1CCO 67316839 RJWHPTFGISSIEC-UHFFFAOYSA-N 439.443 1.938 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)CN2CCCNC2=O)c2ccccc2)c(C)c1 72297593 HFRPBJNMGCZAJW-LJQANCHMSA-N 444.557 1.855 0 40 IDAB COc1ccc(CN2C[C@H](C(=O)N(C)C)[C@]3(COc4ccccc4C(=O)N3)C2)c(F)c1 72334345 SHPBDJQAVOTKDW-WZONZLPQSA-N 427.476 1.916 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)CC1 72340741 CSPOGBSOQMVRQP-UHFFFAOYSA-N 428.518 1.122 0 40 IDAB O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)Nc1cc(F)ccc1F 98213093 ZFRFKYNIJCEFPS-UHFFFAOYSA-N 431.374 1.757 0 40 IDAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)o1 257226280 FJZABPHEUQRZTD-MRXNPFEDSA-N 438.484 1.691 0 40 IDAB CN(C(=O)CN1CCOCC1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257267955 MJQLOXXCHMNRSZ-JAOKQIQISA-N 446.588 1.774 0 40 IDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)N2CCCC2)C[C@@]12CCN(Cc1cccs1)C2 306142190 WSFWVLNBOFPGAD-MJGOQNOKSA-N 426.608 1.780 0 40 IDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)OC)c(OC)c2)C1=O 409214737 TXKHNUCYEJMYGN-DHDCSXOGSA-N 438.458 1.046 0 40 IDAB COc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)nn1 409290218 KNIKELCNCRJCHU-OALUTQOASA-N 447.403 1.810 0 40 IDAB Cc1ccc(Cl)cc1S(=O)(=O)N(c1cccc(O)c1)[C@H]1CS(=O)(=O)C[C@@H]1O 575425950 JNGYGZPTEGXCOS-HOTGVXAUSA-N 431.919 1.707 0 40 IDAB Cc1ccc(CC(=O)N2CC[C@]3(CCc4nnc(C(=O)NCCN(C)C)n4CC3)C2)cc1 585106784 PDHSUMWHWMGMPX-DEOSSOPVSA-N 438.576 1.676 0 40 IDAB CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CC(C)C)CCCCOC[C@@H](O)[C@H]1O 643551327 ARTURFRZBSUVPW-YYTDSSBASA-N 444.613 1.672 0 40 IDAB Cn1ncnc1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)c3cccnc3)C[C@@H]1CO2 1772594477 DOYLFAZTAKADBQ-QGZVFWFLSA-N 433.472 1.035 0 40 IDAB Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC2CCCC2)cc1C 6558769 NLRYFBKPJLTUIM-UHFFFAOYSA-N 425.507 1.283 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3[C@@H](C)COC[C@@H]3C)C2)cc1 8735655 NJSGWSPPWVWJHU-HRCADAONSA-N 439.534 1.901 0 40 IDAB O=C1CN(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)C2(CCCCC2)C(=O)N1 8945221 KQQFWZXVBDFACS-UHFFFAOYSA-N 440.529 1.955 0 40 IDAB Cc1ccnc(SCCn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1 9124300 CIUPCALYWQUPSI-CYBMUJFWSA-N 429.550 1.561 0 40 IDAB CCN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)[C@H]1CCS(=O)(=O)C1 9125961 HMSDKLLDNKNQDC-HNNXBMFYSA-N 431.543 1.943 0 40 IDAB Cc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 9256794 ZQBBONWQARRVNI-UHFFFAOYSA-N 448.545 1.028 0 40 IDAB O=C(Cn1cnc2c(nnn2-c2ccc(Br)cc2)c1=O)NCc1ccco1 9517793 KEVDIMVVUPZEKX-UHFFFAOYSA-N 429.234 1.649 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2F)cc1 9576407 ZASADZFVPDMQOB-LJQANCHMSA-N 449.504 1.304 0 40 IDAB COCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OCCc2ccccc2)cc1 12137719 QIYMGLRWOAYDDI-OAQYLSRUSA-N 440.496 1.828 0 40 IDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O 13038041 NQJRMKQIXWAKOE-UHFFFAOYSA-N 430.461 1.404 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)NC(=O)N[C@H]1C 13112297 JPMWVDHIXDOVGK-ZFWWWQNUSA-N 429.473 1.664 0 40 IDAB CN(C)c1ncc2c(=O)[nH]c([C@H]3CCCN(C(=O)c4nn(C)cc4-c4ccno4)C3)cc2n1 19289998 LVOOUPJFQHVTJO-ZDUSSCGKSA-N 448.487 1.792 0 40 IDAB Cc1ccc(=O)n(CC(=O)N2CCO[C@]3(CC=CCN(CCc4ccccc4)C3=O)C2)n1 19704490 DYRORCMBSPCHCD-XMMPIXPASA-N 436.512 1.181 0 40 IDAB O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 23797699 KQTXKUFFRISJTE-VQTJNVASSA-N 437.452 1.287 0 40 IDAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23995589 REWSPDGTBXWZGN-UHFFFAOYSA-N 448.545 1.239 0 40 IDAB CCOc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC 30857544 QVYBNIZFPRBKAI-KRWDZBQOSA-N 427.567 1.661 0 40 IDAB Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2C/C=C/c2ccccc2)n(C)c1=O 32937912 HFEQWFWKHBYNNS-RMKNXTFCSA-N 441.557 1.571 0 40 IDAB COc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)NC2=O)cc1 35432458 WHFHRAOCGMLMFO-UHFFFAOYSA-N 429.498 1.804 0 40 IDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 38488171 GZWWFDGHRWEMHP-UHFFFAOYSA-N 425.514 1.395 0 40 IDAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3ccc4c(cnc5ncnn54)c3=O)cc2)n1 38784112 VKMBNQLHTSXWKH-UHFFFAOYSA-N 448.468 1.636 0 40 IDAB COc1ccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 44802676 KUAFYWISNZRYOX-UHFFFAOYSA-N 447.557 1.982 0 40 IDAB C[C@@H](C(=O)NS(=O)(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1 72310704 FIHCFVHPFDSJKG-CQSZACIVSA-N 431.580 1.850 0 40 IDAB Cc1c([C@H]2C[C@@H](C(=O)Nc3ccc(Br)cc3)N(C)S(=O)(=O)N2)cnn1C 72335082 URJAIVHSXRDEMA-CABCVRRESA-N 442.339 1.709 0 40 IDAB O=C(Cn1nnn(-c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)c1=O)NC1CC1 77100244 PCNLELYYDNPOJR-UHFFFAOYSA-N 437.416 1.080 0 40 IDAB C[C@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103926852 FWFYTZRIEGTEQO-IMPIEMTGSA-N 447.557 1.988 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 223320566 IHDLIUNKYMOLJF-UHFFFAOYSA-N 449.529 1.721 0 40 IDAB CNC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(Cc1cccs1)[C@H]3C(=O)NC1CCCCC1 245227129 BHFZYJRIBUYLBS-XMJOBFJKSA-N 429.542 1.594 0 40 IDAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@H](N3CCOC3=O)C1)C2=O 1538385171 LPDXRAQHMMHUPM-BXFSZVDSSA-N 434.537 1.957 0 40 IDAB CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(S(=O)(=O)CC)ccc2O1 1395413 IQAZOMUKNQTZMX-SFHVURJKSA-N 439.511 2.000 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3ccccc3)CC2)cc1 4164233 DZTYQSRGRXUANV-UHFFFAOYSA-N 432.498 1.450 0 40 IDAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CCC[C@H]1C(=O)O 8790900 NNNPVAYTYDQJFO-IJDPYKPMSA-N 431.514 1.615 0 40 IDAB biogenic O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccncc1 9060893 IILRWJAOKKFOAF-QGZVFWFLSA-N 448.520 1.444 0 40 IDAB CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)cc2OC)n(C)c1=O 9156907 GAIAWIUNEURNDV-UHFFFAOYSA-N 429.477 1.492 0 40 IDAB COc1cccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c1 9492700 XWSJRZNMKHYRDS-HSZRJFAPSA-N 438.484 1.938 0 40 IDAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccc(Br)c2)c(=O)n(C)c1=O 9666271 FFWYMDKRLDDIHB-UHFFFAOYSA-N 438.278 1.587 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)NC(=O)N[C@H]1C 9683199 PNMPKEIKCLHJNG-PRWKNARSSA-N 431.470 1.677 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 9974490 HBEFRECGLRQJSX-QGZVFWFLSA-N 438.546 1.898 0 40 IDAB COC[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3F)CC(=O)N(CCN(C)C)C2=O)C1 12166518 WIMWKHGBFMDMTC-UZUQRXQVSA-N 433.524 1.659 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccno4)o3)CC2)cc1 12234599 SCNSXGAVAVDMGU-UHFFFAOYSA-N 433.446 1.773 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 12444726 JRSHNZOUQVBVAF-UHFFFAOYSA-N 432.590 1.866 0 40 IDAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 12732036 XISYSYGDGMKDBZ-HNNXBMFYSA-N 438.527 1.755 0 40 IDAB CCN(CC(=O)NCc1cccs1)C(=O)CN1CCC(C(=O)N2CCCCC2)CC1 13022223 ZPBZEXDNYVULJF-UHFFFAOYSA-N 434.606 1.937 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)CN1C(=O)N[C@]3(CCc4ccccc43)C1=O)CC2 13121275 ZZMZAKCONYTSHS-DEOSSOPVSA-N 435.480 1.982 0 40 IDAB O=C(CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Nc1ccnn1C1CCCC1 13128601 SZFMEAFHUQIVIS-HXUWFJFHSA-N 439.516 1.921 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)cc1C 13566291 FKQCWLZBGNSHQU-SFHVURJKSA-N 439.578 1.243 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)N3CCCC3)CC2)cc1 14142259 USVZIZBROZXBDA-MRXNPFEDSA-N 436.530 1.844 0 40 IDAB O=C(c1ccco1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 15779840 NMSNDNNGFOUBMY-UHFFFAOYSA-N 429.498 1.652 0 40 IDAB CC(=O)N1CCN(C(=O)Nc2ccc(C)c(NC(=O)N3CCN(C(C)=O)CC3)c2)CC1 16347462 MROJQRHNQCAHHP-UHFFFAOYSA-N 430.509 1.387 0 40 IDAB COCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)c4ccncc4)C3)cc(=O)[nH]2)CC1 19592756 VZKJXVDEHAJKII-GOSISDBHSA-N 439.516 1.537 0 40 IDAB CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)N1CCCC[C@@H]1C)c(=O)n2C 19625658 AQAUTAUKQDDKDI-ZDUSSCGKSA-N 428.489 1.550 0 40 IDAB COCCC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 19699322 XTMRCWAUSUGFRV-UHFFFAOYSA-N 442.560 1.643 0 40 IDAB CCCN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)[C@H]1CCS(=O)(=O)C1 22357449 QRFONIGCPOWEQZ-ZDUSSCGKSA-N 443.572 1.337 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(NCCN1CCOCC1)n2Cc1cccc2ccccc12 23114514 MVNKNIJQZRXIGS-UHFFFAOYSA-N 434.500 1.369 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@H]2CC2(Cl)Cl)c(=O)[nH]c1=O 23681912 ZBASVHYDARRWLZ-GFCCVEGCSA-N 427.288 1.492 0 40 IDAB CCN1C[C@@H](C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1=O 32816005 GZGOJJOPLTWKCM-KRWDZBQOSA-N 441.532 1.415 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2nc(N)nc(N(C)C)n2)c(C)c1 32901728 BKEJHRWQEGUMRU-HNNXBMFYSA-N 448.549 1.342 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC2=O)cc1 36357690 NDSHCJSZPSXKKK-CYBMUJFWSA-N 427.486 1.227 0 40 IDAB Cc1nc(C)c2c(C)c(C(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)sc2n1 40089309 DDEKVUUHMWEMOK-QWRGUYRKSA-N 426.564 1.785 0 40 IDAB Cc1ncc(CN(C)[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1 40154603 ZBQXTMIPNXQEAS-CQSZACIVSA-N 438.575 1.931 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4noc(C)n4)cn3)CC2)cc1 42380585 ZKYWWCVRAIVDGB-UHFFFAOYSA-N 442.501 1.909 0 40 IDAB Cc1nnsc1C(=O)N1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 43942219 MJCPFEVZKLDMNK-UHFFFAOYSA-N 445.501 1.225 0 40 IDAB C[C@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(=O)(=O)NS(=O)(=O)O)c1 44135875 SAFINQVOKAXDCJ-JTQLQIEISA-N 445.906 1.517 0 40 IDAB in-vitro CCN(CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)Cc1nc2ccccc2c(=O)[nH]1 58451801 LHYSVZMAYGAOKY-UHFFFAOYSA-N 443.529 1.634 0 40 IDAB O=C(C[C@H](CN1CCN(CCN2CCCC2)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 71283926 KXQIDEDTLDQZEM-GOSISDBHSA-N 446.548 1.201 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]4[C@H]3[C@@H]4C(F)(F)F)cc2)CC1 72310022 AOTLZFKNAGUPTO-BBWFWOEESA-N 445.463 1.562 0 40 IDAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1=O 79061911 PONUMTCXZYRIQD-JLTOFOAXSA-N 437.518 1.287 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)cc1OC 96105247 MOGVXTRQWPTFFJ-QGZVFWFLSA-N 437.504 1.650 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222468200 PWDPLHCDCXCGBR-HNNXBMFYSA-N 429.498 1.303 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1C 224333510 NDIPZHOUWWCNKI-UHFFFAOYSA-N 433.534 1.141 0 40 IDAB Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2Br)CC1 225677010 FQCQNRHXOBDWFW-UHFFFAOYSA-N 448.364 1.810 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)NCCN3CCOCC3)cc2)cc1 225985400 ZLELZZBFIAGKGW-UHFFFAOYSA-N 431.558 1.811 0 40 IDAB NC(=O)c1ccc(-c2ccc(C3CCN(CC(=O)N4CCC(C(N)=O)CC4)CC3)nc2)cc1 257244815 IMXYCSWAEIGJEL-UHFFFAOYSA-N 449.555 1.751 0 40 IDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OCC(=O)OC 408549791 ZCFFFKLAIDAYQN-WUXMJOGZSA-N 426.809 1.356 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2)c1 533165135 HMKNIJBHMYDPSV-UHFFFAOYSA-N 425.532 1.574 0 40 IDAB Cc1cc(C)cc(S(=O)(=O)N2Cc3ccnn3[C@H](COCC(=O)N3CCCC3)C2)c1 575405221 QWVLRIGUPDJMTO-IBGZPJMESA-N 432.546 1.885 0 40 IDAB COC1(CNS(=O)(=O)c2ccccc2Br)CCN(S(C)(=O)=O)CC1 1889218761 AWQJCZKIGZQATO-UHFFFAOYSA-N 441.369 1.168 0 40 IDAB O=C(COC(=O)CNC(=O)c1ccc(Br)o1)Nc1ccc2c(c1)OCCO2 4195265 LLCHVFSWQVHQII-UHFFFAOYSA-N 439.218 1.725 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4403057 XVGNADCCCZEHRJ-SRHPJPHMSA-N 438.429 1.457 0 40 IDAB CC(=O)O[C@@H]1CO[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4974830 PMTIEPHCACAGRT-SDBHATRESA-N 447.231 1.457 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2C)n(C)c1=O 6089406 UCMNXXGTELJNEF-UHFFFAOYSA-N 431.880 1.963 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)cc1 8769355 ATYCWLJUUNLHOB-UHFFFAOYSA-N 429.498 1.971 0 40 IDAB CCCn1c(N)c(C(=O)CN2CCC[C@H]2c2cc(OC)ccc2OC)c(=O)n(C)c1=O 9113989 QSFJGFXGCICMAE-INIZCTEOSA-N 430.505 1.576 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2ccn(S(=O)(=O)c3ccc(C)cc3)c2=O)cc1 9660477 GXBUWGXMBXAZSB-UHFFFAOYSA-N 429.454 1.621 0 40 IDAB CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(OCc2ccccc2)cc1 10284214 OHVCWJYJBUNDBG-UHFFFAOYSA-N 431.514 1.332 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 12232332 IRQIVEAYQBQELI-MRXNPFEDSA-N 427.505 1.172 0 40 IDAB COC(=O)c1ccc(CNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 12880229 URJIECRXKMUMMS-UHFFFAOYSA-N 442.468 1.649 0 40 IDAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCN(C(=O)c2ccco2)CC1 13121373 YGKGFLABWJQYFQ-GOSISDBHSA-N 449.467 1.208 0 40 IDAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1OC 14155906 QTCJMIZICZYIHM-UHFFFAOYSA-N 433.530 1.917 0 40 IDAB Cc1sc2nc(CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)[nH]c(=O)c2c1C 14672392 ZKPGUPFAOGOQPA-LLVKDONJSA-N 439.588 1.999 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)NC(=O)N[C@H]1C 16044744 RJDGYKWLWQNCCU-QWHCGFSZSA-N 431.445 1.110 0 40 IDAB CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1Cl 16839459 XEDJURCKZMZDME-ZDUSSCGKSA-N 435.912 1.739 0 40 IDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)cc1 17040885 SVSJSDKOCDSAIZ-UHFFFAOYSA-N 439.537 1.977 0 40 IDAB COCCn1c(C)cc(C(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1C 20853289 SSMFHNKFBDWXTF-UHFFFAOYSA-N 433.486 1.216 0 40 IDAB CC(C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 36576371 JAWMUUFGZPJACF-OLZOCXBDSA-N 439.563 1.121 0 40 IDAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1nc(N2CCOCC2)ncc1Cl 40142020 IHGXFAUDPHZOMN-UHFFFAOYSA-N 444.967 1.909 0 40 IDAB COc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccc6c(c5)OCO6)no4)cnc32)cc1 44166586 XECJYPSOYHVXCY-UHFFFAOYSA-N 445.395 1.813 0 40 IDAB O=C1N[C@]2(COc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)NCCN1CCCC1 72334427 SPKYLGUDQXKCOP-NVQXNPDNSA-N 448.567 1.892 0 40 IDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)Cn1ncc3ccccc3c1=O)CC2 72347116 HWCXACDGFAGFFH-UHFFFAOYSA-N 432.484 1.380 0 40 IDAB Cc1nc2cc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)ccc2n1[C@@H]1CCS(=O)(=O)C1 78902854 WLQBYYVOYMPEQB-NQIIRXRSSA-N 448.589 1.791 0 40 IDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 96116192 FPGYZFSSIKPTHZ-KRWDZBQOSA-N 425.441 1.958 0 40 IDAB biogenic COc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 219989547 SCCDKFIPTAQYNU-MRXNPFEDSA-N 434.514 1.913 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)s1 225811826 OCTLSYODAMBWRQ-GFCCVEGCSA-N 430.533 1.374 0 40 IDAB O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CCN(C4COC4)C[C@@H]13)O2 253398721 HJIADEKNNBASNJ-BJLQDIEVSA-N 429.517 1.048 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCC2(N3CCSCC3)CCOCC2)cc1 1888879253 FYSQUPUPGZSVGY-UHFFFAOYSA-N 427.592 1.265 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(c5nccc(C(F)(F)F)n5)C[C@H]4C3)ncnc21 1888913561 IJGBBHMHWZEWFL-BETUJISGSA-N 434.426 1.854 0 40 IDAB C[C@]1(CSc2ccccc2C(=O)NC[C@H]2COc3ccccc3O2)NC(=O)NC1=O 9167222 FRBIYJMSRHXZGD-YEJXKQKISA-N 427.482 1.947 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)CC1 9418938 PUBGQMMCPHQVAW-CROMWVBPSA-N 441.484 1.282 0 40 IDAB COc1cc([C@@H]2C/C(=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)NN2)cc(OC)c1OC 9419675 JFMRFWFLINGZLJ-JZYMCLRRSA-N 444.488 1.917 0 40 IDAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(c2ncccn2)CC1 9577432 DPXWLNFUVUXXTP-UHFFFAOYSA-N 449.964 1.880 0 40 IDAB CN1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 9629754 NPENEQJPKIMRGX-UHFFFAOYSA-N 427.935 1.901 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(OC)c(OC)c1 9631939 KBKGHJKDFNCZCL-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 9662487 PKUPOHFWSDYWBL-BBVFFXRHSA-N 431.514 1.691 0 40 IDAB O=C(NCCCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccco1 9916155 AAKYWIYGHDIOQF-UHFFFAOYSA-N 441.456 1.601 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)CC1 12085713 CQCVDNHWKGPYGU-QHCPKHFHSA-N 443.500 1.319 0 40 IDAB CCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2cccnc2)C1=S 12411900 UUHWXGUGBSIGBW-QGZVFWFLSA-N 425.514 1.293 0 40 IDAB COC(=O)Cn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O 12880985 YSCNFUAMYXAEGC-UHFFFAOYSA-N 432.483 1.461 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 12933801 MJLKPHANPHQCNA-CRAIPNDOSA-N 428.532 1.313 0 40 IDAB COc1ccc(C(=O)NCCNC(=O)c2nc(Cn3cc(Cl)cn3)no2)cc1OC 15082677 FTPODXKKMQYYQD-UHFFFAOYSA-N 434.840 1.145 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)c(C)c1 15323835 WJSRUQYSUHDIRM-UHFFFAOYSA-N 441.509 1.433 0 40 IDAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCCCN1CCOCC1 16479534 GPOCCMHUFSZWJL-UHFFFAOYSA-N 431.558 1.716 0 40 IDAB C[C@@H](C(=O)N1CC[C@H](c2nc(O)c3c(n2)CN(C(=O)C2CCC2)CC3)C1)N1CCCC1=O 19077704 HATHACQBBNNPTH-HOCLYGCPSA-N 441.532 1.194 0 40 IDAB CS(=O)(=O)c1snnc1[C@H]1CCCN(Cc2ccc(CN3CCOCC3)o2)C1 19573232 YOYIKOVVUSXDTL-AWEZNQCLSA-N 426.564 1.746 0 40 IDAB CN(C(=O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2)[C@H]1CCS(=O)(=O)C1 19585857 NKCUUUWVXCINET-YCRPNKLZSA-N 434.514 1.049 0 40 IDAB O=C(CN1CCOCC1)N1CCCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 19991915 PSNNPKFYAGIGCT-QFIPXVFZSA-N 429.542 1.941 0 40 IDAB COc1ccc(NS(=O)(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c(OC)c1 21010279 KAVPPPGTAWPCIG-CYBMUJFWSA-N 429.520 1.678 0 40 IDAB COCCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)N2CCN(CCO)CC2)c1=O 22697770 KGSHPCXRWZOBFV-JOCHJYFZSA-N 447.601 1.930 0 40 IDAB CN1[C@@H](CCC(=O)NCc2ccco2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccc(O)cc1 22922578 ZJIYVWWCZMLQJJ-WEYGHZABSA-N 426.517 1.455 0 40 IDAB biogenic,in-vitro COc1ccc(N2C(=O)CN(CCc3ccccc3OC)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408595 YWRONASVWLGKOR-VQTJNVASSA-N 430.526 1.761 0 40 IDAB CC(C)c1sc(Br)nc1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 95477040 OJOMOVBVSICOEL-NSHDSACASA-N 436.397 1.974 0 40 IDAB COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NC5CC5)CC4)c3CO2)cc1 97139324 SYYGFAXAYFYZLF-IBGZPJMESA-N 425.489 1.689 0 40 IDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@](Cc2cc(-c3ccc(F)cc3)no2)(C(N)=O)C1 257210552 BVDIOEDFCZQWGJ-FQEVSTJZSA-N 447.492 1.929 0 40 IDAB O=C(CCCN1C(=O)CNC1=O)N1CCO[C@@H](c2cncc(-c3cccc(F)c3)n2)C1 257298861 RNOAZOXTWBKKRT-GOSISDBHSA-N 427.436 1.515 0 40 IDAB O=c1c(=O)n2c(nn1C1CCCC1)CO[C@]1(CCN(Cc3ccc4c(c3)OCO4)C1)C2 306135762 OZZRQLLLIMIQAU-QFIPXVFZSA-N 426.473 1.424 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2C(=O)C(Cl)(Cl)Cl)c1 575424712 VXRJMHXMUQHTRD-MNOVXSKESA-N 448.777 1.934 0 40 IDAB CCOC(=O)[C@@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)[C@H](O)c1ccncc1 1169734767 GVEGNWPNMDPMHH-LEWJYISDSA-N 427.457 1.369 0 40 IDAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)CCc5ccccc5)C[C@H]4C3)nn12 1888930687 NKQHHNSNHBORPH-QZTJIDSGSA-N 426.546 1.627 0 40 IDAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)c5cccc(OC)c5)C[C@H]4C3)nn12 1888932249 REGVMMAAUALORV-HUUCEWRRSA-N 428.518 1.452 0 40 IDAB Cn1cc(N2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(=O)n(C)c1=O 1889149266 NTWVRPIZWZZZDK-UHFFFAOYSA-N 446.451 1.050 0 40 IDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 8898778 DWBXYUZWUHFOCT-UHFFFAOYSA-N 425.470 1.656 0 40 IDAB COc1cccc(C(=O)N[C@@H](C)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)c1OC 8996499 NHAZFLQPKPUXGL-AWEZNQCLSA-N 427.505 1.209 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1cc(=O)oc2cc(NC(C)=O)ccc12 9283121 IYZGRZILDQCXPV-UHFFFAOYSA-N 446.437 1.764 0 40 IDAB CCn1c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nnc1-c1cccs1 9670012 WSQHJIULRLDVOQ-UHFFFAOYSA-N 431.547 1.956 0 40 IDAB COc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1 9806088 RGRFKXMYZLQLRA-KRWDZBQOSA-N 431.514 1.281 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 12180104 OGMPMMVCFAZGJI-INIZCTEOSA-N 430.486 1.747 0 40 IDAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 12549201 UOPRJZJCNJXEPB-IRXDYDNUSA-N 440.566 1.138 0 40 IDAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 12819955 OEPKLDBXGFRPCJ-PSLXWICFSA-N 437.452 1.865 0 40 IDAB COCCN(C(=O)CN1C[C@@H](C)C[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 16475108 NIDZFJWELBEIGY-IRXDYDNUSA-N 443.548 1.124 0 40 IDAB COc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CCN(CCO)CC4)nc3C2)c(OC)c1 21123175 IAVLNTNAGOVYCK-INIZCTEOSA-N 426.517 1.829 0 40 IDAB NC(=O)c1cc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc(C(N)=O)c1 22982442 AIGNYYPFXUWTQB-UHFFFAOYSA-N 447.476 1.962 0 40 IDAB O=S(=O)(c1cccs1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23135089 UXVWLQPXTACDKY-UHFFFAOYSA-N 426.474 1.509 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 23161122 OCJKDBLBNINZCA-UHFFFAOYSA-N 439.559 1.976 0 40 IDAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 24528381 ZRRCLRHPDLCCTC-KRWDZBQOSA-N 436.965 1.838 0 40 IDAB CCc1ccc(C(=O)NC2(C(=O)OC)CCCCC2)cc1S(=O)(=O)N1CCOCC1 32453480 WEVFZLVWBHILGY-UHFFFAOYSA-N 438.546 1.876 0 40 IDAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(C(=O)OC(C)(C)C)CC2)c1=S 32869480 VGGQMUCHVBREFJ-AWEZNQCLSA-N 445.611 1.438 0 40 IDAB O=C(CN1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1)N1CCOCC1 34870914 CCDOTQLXRVLQGD-UHFFFAOYSA-N 445.523 1.913 0 40 IDAB COc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(-n5cnnn5)c4)CC3)n2)cc1 40037669 IIQIMMZZZWOUAC-UHFFFAOYSA-N 446.471 1.679 0 40 IDAB CCOC(=O)c1cc(S(=O)(=O)NC2(CO)CCC2)ccc1I 95461952 SUZSZVNSUOJPIE-UHFFFAOYSA-N 439.271 1.661 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C(OC(C)=O)OC(C)=O)O2)cc1 101357465 BUQHFGFRUJETAR-MPWIWIEXSA-N 443.408 1.129 0 40 IDAB biogenic Cc1ccc2c(c1)O[C@H](C(=O)Nc1ccc(N3CCOCC3)cc1)CN2S(C)(=O)=O 225005645 MQTDAMZREIDHDB-FQEVSTJZSA-N 431.514 1.997 0 40 IDAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2nnc(SCC(=O)OC)s2)cc1 225194681 ARVLVJYRQPHDRE-UHFFFAOYSA-N 430.533 1.841 0 40 IDAB COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCOCC2)cc1 257202740 ANEMVVGGVOXADA-CZYKHXBRSA-N 430.476 1.846 0 40 IDAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)COc3ccc4c(c3)CCCC4)[C@H]2O)CC1 257245489 IPSGIKPVUBCYLI-CQOQZXRMSA-N 429.561 1.459 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408659979 KMFNGUACWIANHG-IQGAEYHTSA-N 442.468 1.766 0 40 IDAB Cc1nc(COC[C@@H]2CN(CC3CC3)C[C@@]23CCN(C(=O)c2ncn(C)n2)C3)cs1 585102871 LNEVURIQTSZXEP-LAUBAEHRSA-N 430.578 1.971 0 40 IDAB O=C1C[C@@H](NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CN1CCN1CCOCC1 605378571 DHUBNTOYUIZGOY-QGZVFWFLSA-N 425.451 1.786 0 40 IDAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)N1CCC[C@@H](O)C1)C2 643575433 JJTUJBYMVIBBGO-LJQANCHMSA-N 433.549 1.550 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@H]3C2)cc1 1549160516 FWQCYOPLHJSZFK-GOSISDBHSA-N 449.529 1.292 0 40 IDAB COCCNC(=O)[C@H]1C[C@@H](NCc2ccc(F)c(F)c2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O 2332241898 DSMPVZIVBYYYLC-XFHUWUJUSA-N 434.487 1.951 0 40 IDAB COc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 3336304 HPLHTVFIJXOJHJ-UHFFFAOYSA-N 434.470 1.981 0 40 IDAB CC(=O)O[C@H]1CO[C@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4974829 PMTIEPHCACAGRT-NFOTXUCKSA-N 447.231 1.457 0 40 IDAB CC(C)CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 5147924 ITFJOCLTXIZFBD-UHFFFAOYSA-N 428.512 1.779 0 40 IDAB NCCCNC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3 9435926 RLBGSWCGPRDCOE-UHFFFAOYSA-N 426.542 1.617 0 40 IDAB COCCCn1c(C(=O)NCCCN2CCCC2=O)cc2c(=O)n3cccc(C)c3nc21 9488195 QJXPTEDPWSMHIP-UHFFFAOYSA-N 439.516 1.736 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N(CCc2ccccc2)Cc2cccs2)n(C)c1=O 9868154 IIWUBRKVYJZGSU-UHFFFAOYSA-N 437.525 1.767 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)c1ccc2c(c1)OCCO2 10111325 COFJATFUDHXIRU-UHFFFAOYSA-N 439.578 1.996 0 40 IDAB O=C1NCCN(C(=O)NC2CCCCC2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 10153135 IMEOWLWUNIKHSW-HXUWFJFHSA-N 427.549 1.568 0 40 IDAB Cn1c(=O)n(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc21 10823443 ZMGMFFXUAYSBKN-UHFFFAOYSA-N 446.504 1.402 0 40 IDAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11998144 OPNIZWWBYVCNKJ-UHFFFAOYSA-N 449.510 1.545 0 40 IDAB CCOCCCN1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2Cn2c(nc4ccccc4c2=O)C3)CC1=O 12086311 PZSBIVAHCRRGMO-OKZBNKHCSA-N 438.528 1.587 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OC)c(OC)c3)CC2)cc1 12679229 APOZKXJEFYNJSM-UHFFFAOYSA-N 449.529 1.929 0 40 IDAB COC[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 13041640 LWHPIRTWSWDDLQ-ZDUSSCGKSA-N 444.531 1.818 0 40 IDAB O=C(CN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NC1CCCC1 13151012 IMMBFVKWWMMERO-KRWDZBQOSA-N 441.525 1.170 0 40 IDAB O=C1CN(C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)C2(CCCCC2)C(=O)N1 14201381 GFIRCEDCZJASFA-LBPRGKRZSA-N 439.563 1.409 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccsc3)[nH]c(=O)c2C1 19520420 KEOJNJDOXHNXMU-MRXNPFEDSA-N 436.559 1.907 0 40 IDAB CCc1cc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)no1 19522660 XZVZNFFNIOTNGX-UHFFFAOYSA-N 430.490 1.179 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1OC 20005217 KZALSKQZWDPAPS-PKOBYXMFSA-N 448.541 1.889 0 40 IDAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCCN(CC(=O)NC(C)(C)C)CC1 22924990 JXDUMSIACXLSOR-HXUWFJFHSA-N 429.609 1.646 0 40 IDAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 24528378 ZRRCLRHPDLCCTC-QGZVFWFLSA-N 436.965 1.838 0 40 IDAB O=C(CSc1nnnn1-c1ccc(Br)cc1)N1CCn2c(cccc2=O)C1 36636034 INNKXKSIEPQJBP-UHFFFAOYSA-N 447.318 1.721 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCc4ccccc43)c2)CCN1 48253791 KIJPAXMCQNQQDT-SFHVURJKSA-N 427.526 1.657 0 40 IDAB Cc1cccc(OC[C@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 49234969 LCEGVKWRPKVAFI-QGZVFWFLSA-N 441.532 1.562 0 40 IDAB C[C@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 61984082 DQJVEAALKOFOBN-CQSZACIVSA-N 430.486 1.146 0 40 IDAB Cc1nccn1-c1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)nn1 70998749 JEYQZVNTWHZMEO-UHFFFAOYSA-N 440.529 1.483 0 40 IDAB COc1ccc(N2Cc3nn(CC(=O)NCc4ccc5ccccc5n4)c(=O)n3C2=O)cc1 96335768 DIZGBHBLMBJXAK-UHFFFAOYSA-N 444.451 1.906 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220309117 LDXUWSMSQDABHO-CQSZACIVSA-N 437.493 1.995 0 40 IDAB CCS(=O)(=O)N(CC(=O)Nc1nnc(SC)s1)c1ccc2c(c1)OCCO2 224658864 PSTSRGPVQISDBQ-UHFFFAOYSA-N 430.533 1.826 0 40 IDAB CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)CN(C(=O)c3ccoc3)CC2)C1 306134186 NFIAPSJGIYSCDT-QFIPXVFZSA-N 425.489 1.500 0 40 IDAB O=C(NCc1cccnc1)[C@@H]1CN(CC2CC2)C[C@@]2(CCN(C(=O)c3cccnc3)C2)O1 306142482 XAJRQCIQCIUQEO-XUZZJYLKSA-N 435.528 1.489 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCOCC3)C2)cc1C 408592822 LZGGUFQHBZPQKR-GOSISDBHSA-N 439.578 1.243 0 40 IDAB CC(=O)N1CC[C@](C)(C(=O)NCC2CCC(CNC(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)C1 531087716 CGDZOVODFPXYRG-DZRWWGTPSA-N 448.608 1.542 0 40 IDAB CN(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCN(c2ccccc2)C1=O 604631204 PCCPSDZHUHFFPA-IBGZPJMESA-N 430.530 1.714 0 40 IDAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(Cc4ccc5c(c4)OCCO5)nn23)C1 1501040356 KSBRGJZOWXMINQ-ZDUSSCGKSA-N 435.531 1.687 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCCCC1)OCO3 6445236 ZRNVWJMCEYFMAK-MGPUTAFESA-N 438.488 1.998 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)n(C)c1=O 9731567 ZZLFJLGNWIZKGK-ZDUSSCGKSA-N 438.469 1.466 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccco1)n2C[C@H](O)COc1ccc(Cl)cc1 10274102 JCZACKVTYCAFSI-ZDUSSCGKSA-N 445.863 1.722 0 40 IDAB CS(=O)(=O)Nc1nc(CC(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)cs1 12221956 HAXNDKIEJSLBPH-UHFFFAOYSA-N 448.530 1.908 0 40 IDAB CCN(CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)c1ccc(OC)cc1 12442727 ZHPCHALTPRHJGO-UHFFFAOYSA-N 428.493 1.069 0 40 IDAB NC(=O)CCc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n1C[C@H]1CCCO1 12881106 BLUOUJFBOLGLHV-CYBMUJFWSA-N 445.501 1.181 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21 12904643 YNTJTWHBXUBQDC-UHFFFAOYSA-N 428.514 1.356 0 40 IDAB C[C@@H](C(=O)N1CCOCC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12939839 KHDHCSLPVWEPNT-ZDUSSCGKSA-N 436.361 1.547 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CC1 12975191 UPGYXGQMHVCOFM-UHFFFAOYSA-N 434.489 1.348 0 40 IDAB COc1cc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1NC(C)=O 13028134 XNFMUELQGDZFEY-UHFFFAOYSA-N 437.474 1.402 0 40 IDAB O=C(CSc1nnnn1C[C@H]1CCCO1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 13128764 UQSQAVPPWJKSND-JKSUJKDBSA-N 437.547 1.165 0 40 IDAB COCCn1cnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 13130907 JBZCLQAPNPFGHE-UHFFFAOYSA-N 439.563 1.830 0 40 IDAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 13515301 MTKNDAQYHASLID-QMKGSLKSSA-N 448.512 1.526 0 40 IDAB endogenous,world O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@@H]2C=C[C@H]1C2 17097262 FAPJLWGAGCABTC-PKIAMQTDSA-N 430.935 1.757 0 40 IDAB O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 19332090 LBVFURNYOVWUMN-RTBURBONSA-N 440.475 1.950 0 40 IDAB O=C1NC(=O)[C@H](CCC(=O)N2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4)cc3)C2)N1 19374179 YFNZCYBHAHSIHN-UXHICEINSA-N 434.496 1.459 0 40 IDAB O=C1NC(=O)[C@@H](CCC(=O)N2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4)cc3)C2)N1 19374180 YFNZCYBHAHSIHN-WOJBJXKFSA-N 434.496 1.459 0 40 IDAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)nc2c1CC(=O)N2CC1CC1 19739624 AELYQDMNMZZSSZ-INIZCTEOSA-N 430.534 1.734 0 40 IDAB C[C@@H](CC(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)c(N)n2)CC1)n1cccn1 19766004 GYBUNSYGHHXDHP-INIZCTEOSA-N 426.521 1.690 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1 20245804 MONWQPPZURFQID-UHFFFAOYSA-N 449.485 1.755 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)NCc1ccccc1 22228245 VUWBQWGGTCSWGO-UHFFFAOYSA-N 429.542 1.836 0 40 IDAB COc1ccccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2 22908834 CHGSCJKPPKPPFI-UHFFFAOYSA-N 444.557 1.804 0 40 IDAB COc1cccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)c1OC 23134392 QFLCNKKYWFZLAE-UHFFFAOYSA-N 426.452 1.777 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 25517316 PRYMFBPSFBDDST-UHFFFAOYSA-N 432.506 1.921 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2c(C)cccc2C)c1=O 32958162 AVXBNDMJDMJBIQ-UHFFFAOYSA-N 429.521 1.484 0 40 IDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(-n2cncn2)nc1 48235177 BRENAUBTNUJQKD-SFHVURJKSA-N 426.502 1.055 0 40 IDAB C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)NC(C)(C)C 48312582 MGKXEZYRWXQTQG-VIFPVBQESA-N 441.369 1.434 0 40 IDAB Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)Cn3cnc4ccccc4c3=O)n2)s1 49030814 FSKGJPLDEKDMLM-UHFFFAOYSA-N 436.497 1.510 0 40 IDAB CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C[C@H]1CCCO1 58229011 QISYGRNAFVJSOZ-CQSZACIVSA-N 431.942 1.410 0 40 IDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)C1 69808086 OUHYTMMOPJTSAN-GOSISDBHSA-N 431.518 1.557 0 40 IDAB CNC(=O)Cc1noc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1 79020137 BZDZRMOFLZDPBL-UHFFFAOYSA-N 448.332 1.171 0 40 IDAB COc1cccc(CNC(=O)N2CCN(C(=O)NC(C)C)C[C@]3(CC(=O)N(C)C3)C2)c1 96143457 NZMOORMELSFTFW-QFIPXVFZSA-N 431.537 1.489 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)O)c([N+](=O)[O-])c3)C2=O)o1 107767122 KVKUXRUWIJBYDQ-SDQBBNPISA-N 445.340 1.531 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)s1 222783520 HNCOSNAQMRXERY-SNVBAGLBSA-N 430.533 1.596 0 40 IDAB COC(=O)c1cc(NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc(C(=O)OC)c1 225581252 QDEVMDHCGLJQKV-UHFFFAOYSA-N 448.497 1.969 0 40 IDAB COc1ccc(N2C[C@H](C(=O)NCCN3c4ccccc4N(C)S3(=O)=O)CC2=O)cc1 245015194 LQDAYUDRGQNBDB-OAHLLOKOSA-N 444.513 1.366 0 40 IDAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCN4CCCC[C@H]4C3)CC2)Oc2ccccc21 248009601 VFIMUNHSQGGMEF-SBUREZEXSA-N 426.517 1.214 0 40 IDAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)N[C@@H]1CCS(=O)(=O)C1 604418887 MFUGPRONNQXILA-YJYMSZOUSA-N 425.466 1.105 0 40 IDAB CC(=O)OC[C@]1(CC(=O)N2CCOCC2)CCCN1C(=O)CCc1cc(Cl)no1 643586912 KMTAQDFSANYXSY-LJQANCHMSA-N 427.885 1.434 0 40 IDAB COc1cc2ncn([C@@H]3[C@@H](O)[C@H](NCc4c(C)noc4C)[C@H]4CO[C@@H]3O4)c2cc1OC 952844867 PKBWPEVSMJIZMJ-SSSFQFABSA-N 430.461 1.474 0 40 IDAB biogenic,in-vitro CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(CC1CCOCC1)C2 1549166937 KRGZBFOYYTVKLN-JOCHJYFZSA-N 441.572 1.974 0 40 IDAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(S(=O)(=O)c3cnn(C)c3)C[C@H]1CO2 1772594632 RMZNFKZFWGHTIO-INIZCTEOSA-N 433.534 1.250 0 40 IDAB C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1nc(C(F)(F)F)ccc1=O 1888920862 FIASPYSGAFJACI-CYBMUJFWSA-N 438.406 1.896 0 40 IDAB Cc1nccn1-c1ccc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)nn1 2086868766 DVRIJTWQPMGECE-UHFFFAOYSA-N 430.398 1.754 0 40 IDAB O=C([C@H]1C[C@@H](NCc2ccccn2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O)N1CCOCC1 2332241769 FKTZGBIELGUQFG-KKSHJYNMSA-N 447.539 1.953 0 40 IDAB CN(C[C@H]1COC2(CN(C(=O)CC3CCOCC3)C2)CS1(=O)=O)C1CCCCC1 2332242964 PCJFYXLVEPUYJB-IBGZPJMESA-N 428.595 1.462 0 40 IDAB O=C(Cn1nnc(-c2ccc(NC(=O)c3cnccn3)cc2)n1)NCCc1ccccc1 1358018 FQKJTWNWMFSNOY-UHFFFAOYSA-N 428.456 1.741 0 40 IDAB CCOCCn1c(=O)c2c(nc3n(CCOCC)c(-c4ccccc4)cn23)n(C)c1=O 5251984 WOTZRHMQPMDVQX-UHFFFAOYSA-N 425.489 1.889 0 40 IDAB Cc1cc(C)nc(SCCn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)n1 8778519 BFAKEWBCVXBDIU-UHFFFAOYSA-N 425.312 1.395 0 40 IDAB Cc1c(NC(=O)[C@@H](C)Sc2nnnn2C[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 9316729 PHFPZEGJXCMZIY-GDBMZVCRSA-N 443.533 1.769 0 40 IDAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NC[C@H]2CCCO2)c2ccccc21 9519601 AUEVIVHLBHRDNG-MRXNPFEDSA-N 435.546 1.579 0 40 IDAB O=C(COc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1 9570228 LELWQBZYKGJBCM-UHFFFAOYSA-N 437.949 1.987 0 40 IDAB COCCCn1c(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n[nH]c1=O 9636904 JMFNVNGYDLAYOP-CQSZACIVSA-N 446.533 1.525 0 40 IDAB CC[C@@]1(C)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O 9690606 YLEPQPZMSPJYNW-GOSISDBHSA-N 442.925 1.492 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCc2cccnc2)cc1 9715274 TYYQUCDDLYPTED-LJQANCHMSA-N 444.557 1.756 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 10274079 GCHLJPROHBAOGF-OAHLLOKOSA-N 439.472 1.685 0 40 IDAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2)C1=O 11904904 XRCNUUHFXJUPOF-GFCCVEGCSA-N 438.483 1.206 0 40 IDAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccccc3F)cc2)C1=O 11904920 ZVEKLRLSAVMRLY-ZDUSSCGKSA-N 426.491 1.659 0 40 IDAB COc1ccccc1CC(=O)N1CCC[C@@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1 12129602 JSBXLZXQWADBDY-OAHLLOKOSA-N 429.502 1.485 0 40 IDAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 12532942 FLVOKCBEQCUJRT-SFHVURJKSA-N 444.557 1.175 0 40 IDAB CS(=O)(=O)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c(S(C)(=O)=O)c1 12559515 SMSDBKFFMYBITM-UHFFFAOYSA-N 448.570 1.464 0 40 IDAB Cn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F 12684664 OMDUZCPDXUKGSV-QWRGUYRKSA-N 442.485 1.121 0 40 IDAB COc1cc(OC)c(N2C[C@H](C(=O)O[C@H](C)C(=O)N3CCOCC3)CC2=O)cc1Cl 12777954 SMZZKZIDIZJVDH-CHWSQXEVSA-N 440.880 1.501 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 12786808 FHXRNLUSGFEABH-KRWDZBQOSA-N 438.575 1.311 0 40 IDAB COC(=O)c1ccc2c(=O)[nH]c(CN3CCN(C(=O)c4ccc(OC)cc4)CC3)nc2c1 12949095 KCFDDIPKYDNIIV-UHFFFAOYSA-N 436.468 1.676 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(=O)[nH]c2ccccc12 14167184 DOAOAZDDPYIAGS-UHFFFAOYSA-N 443.481 1.810 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 14235771 DPUUEJASJNPHMA-CALCHBBNSA-N 445.607 1.470 0 40 IDAB O=S(=O)(c1ccc(F)cc1)N1CCCN(Cn2nnc(-c3ccc(F)cc3)n2)CC1 14241723 LDCBSIQFIMYTER-UHFFFAOYSA-N 434.472 1.972 0 40 IDAB C[C@H]1CN(C(=O)Cn2cnc3c(nnn3-c3ccc(Br)cc3)c2=O)C[C@@H](C)O1 17246887 COPAQZWZXJTCJJ-TXEJJXNPSA-N 447.293 1.376 0 40 IDAB Cc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)o1 19559349 UHUCXDCWSNFSQV-UHFFFAOYSA-N 430.490 1.234 0 40 IDAB COc1cccc(CNC(=O)Cc2cc(O)nc(SCC(=O)N3CCOCC3)n2)c1 22629453 SBUCSGGJJGDMAZ-UHFFFAOYSA-N 432.502 1.001 0 40 IDAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 23134689 PRWZVDNTRGSYRZ-LJQANCHMSA-N 445.527 1.668 0 40 IDAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 23990026 IAIQALSJGQGBNZ-SFHVURJKSA-N 433.530 1.815 0 40 IDAB Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 24864168 ABYYBGBOZDBMOF-UHFFFAOYSA-N 433.914 1.613 0 40 IDAB COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H]1CNCCN1C(=O)C1CCCCC1 25425839 GTGDKNPKMFFAOT-PMACEKPBSA-N 431.533 1.276 0 40 IDAB biogenic,in-vitro C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 26844516 LYKGACGRAZBFIW-MJGOQNOKSA-N 430.549 1.980 0 40 IDAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccnn1Cc1ccco1 32988112 SPPHKURMFBMKJK-UHFFFAOYSA-N 436.515 1.788 0 40 IDAB COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@H]2C(=O)O)OCO4)cc(OC)c1OC 39163942 XRBSKUSTLXISAB-HAEOHBJNSA-N 432.425 1.929 0 40 IDAB biogenic,world Cc1noc(C)c1S(=O)(=O)N1CCN(CCCc2nnnn2-c2ccccc2)CC1 48324674 ORLBSPWKPLLBBT-UHFFFAOYSA-N 431.522 1.206 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21)NC[C@@H]1CCCO1 57486458 UJETUQYVJZGRFA-AWEZNQCLSA-N 443.481 1.297 0 40 IDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 96900482 GHEORYNPUWJOCH-IYBDPMFKSA-N 441.469 1.167 0 40 IDAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 138188774 IMGLYXWERUMTAN-IYBDPMFKSA-N 449.529 1.662 0 40 IDAB COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223330104 OIYWLCQENIHIRJ-OAQYLSRUSA-N 447.557 1.411 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1F 223655678 KHOXJSRTVBSBDR-UHFFFAOYSA-N 443.522 1.571 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)cc1 225638673 PKDOICCXKZJWEL-MRXNPFEDSA-N 433.442 1.863 0 40 IDAB Cc1nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 257280266 OKFNSPQTNPLKCG-INIZCTEOSA-N 447.536 1.999 0 40 IDAB COC(=O)CN1C(=O)/C(=C/c2ccc(O)c(I)c2)N(C)C1=S 409203029 VQQAUUPRFUWAPP-POHAHGRESA-N 432.239 1.570 0 40 IDAB Cc1c(CC(=O)NCCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(=O)oc2cc(O)ccc12 524732237 RDJLNTNYJQEVSE-SJORKVTESA-N 449.507 1.747 0 40 IDAB biogenic CC(=O)c1ccc(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1 575615762 JNDLGGBGFFBVTK-UHFFFAOYSA-N 432.424 1.829 0 40 IDAB Cc1cc(F)cc(CN2[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@@H]3OCCS2(=O)=O)c1 1534645868 NUSJMVUQXNWBFT-MSOLQXFVSA-N 437.493 1.794 0 40 IDAB COCCNC(=O)[C@H]1C[C@@H](NCc2ccc(OC)cc2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O 2332241937 NFPIRGZASZQKQD-UYWIDEMCSA-N 428.533 1.681 0 40 IDAB CCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2c1c(=O)n(C)c(=O)n2C 880873 NTJUCPDVUXYDDR-UHFFFAOYSA-N 447.517 1.592 0 40 IDAB CSCC[C@@H](C(=O)OCn1nnc2ccccc2c1=O)N1C(=O)c2ccccc2C1=O 3347694 VNCWWZRNSHFDPH-KRWDZBQOSA-N 438.465 1.710 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccccc1N1CCOCC1 8708549 FOGOQYWHSBPGAP-QHCPKHFHSA-N 436.468 1.692 0 40 IDAB CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1 9292950 SROZKBGJUUQCEK-SFHVURJKSA-N 449.511 1.510 0 40 IDAB COc1ccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2C(C)C)cc1 9510337 QUDGSFFSQLENIO-UHFFFAOYSA-N 444.517 1.489 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c1 9562469 AYMHIBHJAJBROP-GOSISDBHSA-N 444.513 1.429 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)NC(=O)N[C@@H]1C 9683197 PNMPKEIKCLHJNG-BIBXISHDSA-N 431.470 1.677 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(C)cc2)cc1 9806551 VEDWIOJDXOGUQM-KRWDZBQOSA-N 431.514 1.912 0 40 IDAB C[C@@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 12813697 QUHNOSBCKUUOQN-DOMZBBRYSA-N 430.910 1.037 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 13097777 JMDRURAKQWMPKH-NRFANRHFSA-N 446.504 1.557 0 40 IDAB C[C@H]1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@@H](C)O1 13115715 AJQZTAKQBATWLI-TXEJJXNPSA-N 435.887 1.888 0 40 IDAB COc1ccc(C)c2sc(N3CCN(C(=O)[C@@H]4CCCN4S(C)(=O)=O)CC3)nc12 16847904 NVWKVBVOGMBZMM-AWEZNQCLSA-N 438.575 1.686 0 40 IDAB COc1ccc([C@H]2N(C(=O)c3cnn4c(=O)cc(C)[nH]c34)CCC[C@]23CCC(=O)N3)cc1 19566581 AQHMJXVDAMYBGA-OFNKIYASSA-N 435.484 1.966 0 40 IDAB CNC(=O)c1cnc([C@@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)nc1C 19763758 CQTLFOBDNJGHNO-OAHLLOKOSA-N 448.520 1.854 0 40 IDAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N3)CC1 19819006 ILAPCZCQDVBIAZ-ZDUSSCGKSA-N 444.879 1.190 0 40 IDAB CCOc1ccc(NC(=O)CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1OCC 22020098 DQJZTDWWQFNZMQ-UHFFFAOYSA-N 441.550 1.553 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1cccc(Cl)c1 22228817 BFVDEUMKNBQUOS-UHFFFAOYSA-N 437.905 1.616 0 40 IDAB COc1ccc(C(=O)N2CCN(C(=O)c3ccc(CCNS(C)(=O)=O)cc3)CC2)cc1 23056898 MUSOAQJOJSFMNZ-UHFFFAOYSA-N 445.541 1.385 0 40 IDAB Cc1ccc(-n2nnnc2SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 23818174 BNVFNSXEHFFUFD-UHFFFAOYSA-N 429.506 1.595 0 40 IDAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(C(=O)c2cccs2)CC1 24669809 WIRGGMIVCPEEFD-UHFFFAOYSA-N 430.530 1.578 0 40 IDAB COc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1OC 56997583 DOSSUUNZFUMUMX-UHFFFAOYSA-N 435.546 1.813 0 40 IDAB CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 72260195 DTKLFXLMTOLTGK-UHFFFAOYSA-N 444.923 1.574 0 40 IDAB CCOC(=O)[C@H]1CCCN(c2ncc3c(=O)n(Cc4ccccc4F)c(=O)[nH]c3n2)C1 90591758 QEOKIUITGBVVQS-AWEZNQCLSA-N 427.436 1.447 0 40 IDAB COc1ccc(CN2C[C@@]34CN(C(=O)c5ccccn5)C[C@@H](C[C@@H]3S2(=O)=O)O4)cc1 96145964 MYOYLJOKDQEAIH-LMNJBCLMSA-N 429.498 1.288 0 40 IDAB Cc1ccc(/N=c2/sc(SCCS(C)(=O)=O)nn2CCS(C)(=O)=O)cc1 96190213 HVHVCOYQQZFXAS-JQIJEIRASA-N 435.618 1.667 0 40 IDAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cn1cnc2ccccc2c1=O 206803134 DGEUFFBZTBMOGP-RDTXWAMCSA-N 425.416 1.757 0 40 IDAB Cc1cc(OC2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc(=O)n1C 238813890 AZDHSJWBERNRIY-UHFFFAOYSA-N 433.530 1.628 0 40 IDAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 249700060 XFNASZKKNLWFAK-CWJKEVGVSA-N 426.561 1.576 0 40 IDAB CCOC(=O)[C@H]1CN(Cc2ccco2)C[C@H]2CN(C(=O)c3nnsc3C)CCN2C1 585108155 HCHAGHPJNMPHSY-HOTGVXAUSA-N 433.534 1.261 0 40 IDAB Cc1nc(NCCNC(=O)CN2C(=O)c3ccccc3C2=O)cc(Nc2ccccn2)n1 585447323 POYHQEKRSYLKAB-UHFFFAOYSA-N 431.456 1.748 0 40 IDAB CCn1cc(S(=O)(=O)N(C)C2CN(c3ccc4nnc(C(C)(C)C)n4n3)C2)nc1C 1565523502 PKXVPBDZQCLIRY-UHFFFAOYSA-N 432.554 1.456 0 40 IDAB O=C(c1ccccc1OC(F)F)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332242972 ALZDXUDRDSYBAC-ZDUSSCGKSA-N 445.419 1.332 0 40 IDAB CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2c1c(=O)n(C)c(=O)n2C 930419 HANHHRWEHBMYSX-UHFFFAOYSA-N 430.490 1.143 0 40 IDAB C[C@H]1CN(C(=O)COC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C[C@H](C)O1 3261175 LGILDKOVBIQHAN-IUCAKERBSA-N 425.290 1.433 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1 3416440 KOVJTCLWSVKXMK-UHFFFAOYSA-N 445.497 1.858 0 40 IDAB COc1ccc([C@H]2c3cc4c(cc3O[C@](O)(CO)[C@@H]2C(=O)O)OCO4)c(OC)c1OC 5809662 PCTHWZMPAXEOPM-XGHQBKJUSA-N 434.397 1.347 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3C[C@@H](C)O[C@H](C)C3)C2)cc1 9086714 UVZSKYMVEDYOFL-BZUAXINKSA-N 439.534 1.901 0 40 IDAB O=C(NCc1nnc2ccccn12)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 9460118 ARBMLDDCQIXRNK-CQSZACIVSA-N 449.920 1.770 0 40 IDAB COc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 9634087 KCYOGPQIFWAHNQ-UHFFFAOYSA-N 448.497 1.394 0 40 IDAB O=C(NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1n[nH]c2ccccc12 11795826 MNWFZPSKPQNDEM-UHFFFAOYSA-N 445.520 1.974 0 40 IDAB COCCCN(C(=O)CN1C2CCC1CC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12931976 LWHHRKPICFQJOG-UHFFFAOYSA-N 441.532 1.163 0 40 IDAB Cc1ccc(C(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 15187129 LIXSPGSGPQYUPM-IYBDPMFKSA-N 438.546 1.677 0 40 IDAB COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(CSc2nncn2C)cc1=O 15883855 ZDUKXQSYLPADHG-UHFFFAOYSA-N 443.485 1.323 0 40 IDAB CC1CCN(C(=O)COc2coc(CN3CCN(C(=O)c4ccco4)CC3)cc2=O)CC1 16689917 JHDHZLOQJUMLNM-UHFFFAOYSA-N 443.500 1.828 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)NCc1ccccc1Cl 19349489 UAFNUKCDPDQWQA-NRFANRHFSA-N 427.892 1.916 0 40 IDAB Cc1sc2ncn(CC3(O)CCN(C(=O)[C@H](C)CN4CCOCC4)CC3)c(=O)c2c1C 19561292 JQMKILZNOJWZPL-OAHLLOKOSA-N 448.589 1.397 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1F 20036309 QDBYRHDMLJAOSA-UHFFFAOYSA-N 428.507 1.838 0 40 IDAB CCCn1c(N)c(C(=O)CSc2nc(C)c(C)n2C[C@@H]2CCCO2)c(=O)n(C)c1=O 21568780 MJFAYJQPJXIAAD-AWEZNQCLSA-N 435.550 1.507 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 22227243 LOWLKNYEGAVPOE-UHFFFAOYSA-N 432.498 1.451 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)NCc1ccncc1 22228490 KHKGBVRQBASRAN-UHFFFAOYSA-N 430.530 1.231 0 40 IDAB O=C(CNc1cc(Br)ccc1Br)N[C@@H]1CCS(=O)(=O)C1 25713346 KFGAXBGENGSNLN-SECBINFHSA-N 426.130 1.927 0 40 IDAB CN(Cc1ccccc1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1 30879711 LIOVIZSJOAXEFB-FUMNGEBKSA-N 440.949 1.240 0 40 IDAB biogenic,in-vitro NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)o1 40142129 VBOYQRMNEXRCEN-NEPJUHHUSA-N 437.440 1.580 0 40 IDAB O=C(NC[C@@H]1CCCO1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945254 SIITVMGMRMPQQN-PMACEKPBSA-N 426.517 1.554 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)CC1 62022709 XGELUETVYZZOBS-KRWDZBQOSA-N 435.488 1.456 0 40 IDAB CN1CCN(Cc2ccc(-c3nc(CC(=O)NN4CCN(C)CC4)cs3)cc2)CC1 62048292 HQMWWZHPIVLVTN-UHFFFAOYSA-N 428.606 1.379 0 40 IDAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCn1nc(-n2cccn2)ccc1=O 70640965 KCKCPPUXEKYNOF-UHFFFAOYSA-N 443.463 1.855 0 40 IDAB CCN1CCN(C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccc(C)cc2N3)CC1 72327911 VXMOAEAABNWJJD-HXOBKFHXSA-N 427.549 1.412 0 40 IDAB COc1ccc(C[C@H](CO)CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1O 79076246 RVCIJMFYTOFEEK-INIZCTEOSA-N 441.459 1.975 0 40 IDAB C[C@H](O)CCN(C)C(=O)C(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 84637184 ORSPAHPPVMYPLU-LBPRGKRZSA-N 431.420 1.975 0 40 IDAB COC(=O)c1cncc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)c1 95444302 QCCJVQBZCPWBGQ-UHFFFAOYSA-N 431.467 1.958 0 40 IDAB CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cccs2)CC3)C1=O 96036552 HKZYJYHERQPDTN-IBGZPJMESA-N 425.576 1.484 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)c1 226035615 CEIDEABCXJEYQI-UHFFFAOYSA-N 441.531 1.171 0 40 IDAB O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@H]2CS1(=O)=O)Nc1ccc(Br)cc1 245237519 LRPLETBXTIDYAK-GZBFAFLISA-N 430.324 1.795 0 40 IDAB CN1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](Cc2cccc(-c3cccs3)c2)C1=O 257209014 BOPVBXOCAQOZNK-DLBZAZTESA-N 440.525 1.615 0 40 IDAB COC[C@@H](C)NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 408605642 JSZKXPSRXQMRBA-SNVBAGLBSA-N 426.276 1.208 0 40 IDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3I)C(=O)[C@@H]12 409284274 TWGHZIWJTQCOAP-UMPJEAMMSA-N 439.205 1.667 0 40 IDAB COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524731317 SGSJMSGRGVYFNL-MRXNPFEDSA-N 444.440 1.043 0 40 IDAB biogenic COCCn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3cc(C)[nH]n3)CC2)CO1 585101329 YQXASRCSIDOBPE-LJQANCHMSA-N 430.553 1.752 0 40 IDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC[C@@H](CO)c1ccc(Cl)cc1 673373487 PSBIAQPOUZVGSJ-SFHVURJKSA-N 427.888 1.604 0 40 IDAB Cc1cc(C)n(-c2cc(OCC3CCN(S(=O)(=O)c4nccn4C)CC3)ncn2)n1 1775974587 WLKRZXZMXPLLNB-UHFFFAOYSA-N 431.522 1.492 0 40 IDAB COc1ccnc(N2C[C@H]3CN(S(=O)(=O)c4ccc5c(c4)CCC(=O)N5)C[C@H]3C2)n1 1888890967 BDIGVTRIBNNFJY-GASCZTMLSA-N 429.502 1.127 0 40 IDAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCO)CC(=O)N32)c(OC)c1 2107588 OTKJRFPKWCKFIY-CVDCTZTESA-N 435.480 1.862 0 40 IDAB biogenic O=C1COc2ccc(C(=O)COC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2N1 3270041 ZSRCOPPYEJKNBL-UHFFFAOYSA-N 444.465 1.842 0 40 IDAB CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 8629515 XXIQFPBMBSZDPC-XHSDSOJGSA-N 426.535 1.802 0 40 IDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccccc4)CC3)N2)cc1 8758139 PSWZIPVVEBMRAL-FQEVSTJZSA-N 449.511 1.869 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)c1 9001600 YPRIEMHOTBRAES-UHFFFAOYSA-N 447.451 1.657 0 40 IDAB O=C(NC[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9068306 GSHWHNWUWASULX-SFHVURJKSA-N 445.497 1.463 0 40 IDAB C[C@@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl 9160573 CPUUMRXJYKHHTG-JTQLQIEISA-N 426.304 1.972 0 40 IDAB Cc1cc(C)n2nc(SCC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2n1 9317046 QHPMTTONEWIIPY-UHFFFAOYSA-N 447.542 1.737 0 40 IDAB CC(=O)N1CCc2c(sc(NC(=O)CCCS(=O)(=O)c3ccccc3)c2C(N)=O)C1 10218334 SAWVMMHOKHMXHW-UHFFFAOYSA-N 449.554 1.944 0 40 IDAB COc1cccc(CC(=O)N2CCC3(CC2)Nc2cc(OC)ccc2S(=O)(=O)N3)c1 12142593 MEJLNSJAAHLRIV-UHFFFAOYSA-N 431.514 1.969 0 40 IDAB COC[C@@H](C)N1C[C@@H](C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)CC1=O 12220752 QPGROECNBSWTEC-QAPCUYQASA-N 438.528 1.923 0 40 IDAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)cc1 12321608 CXOCPUSNSLHGKL-UHFFFAOYSA-N 431.514 1.478 0 40 IDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(CCc3ccccc3)CC2)C1=O 12756735 NJUPLWWBBZLCBS-DEOSSOPVSA-N 438.503 1.980 0 40 IDAB Cn1cc(/C=C/C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c(=O)n(C)c1=O 12906490 SEAMYPBOXLDSGX-VMPITWQZSA-N 425.485 1.497 0 40 IDAB CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 13069135 LYJUWEWDPMHXSB-KRWDZBQOSA-N 428.576 1.756 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)Nc3ccccn3)CC2)cc1 13691081 IQEDNWLQDCUZBM-UHFFFAOYSA-N 432.502 1.246 0 40 IDAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1N1CCOCC1 15038774 KZDFDXUFRPYWIY-MRXNPFEDSA-N 432.546 1.630 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NNc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 16951853 BLBSUHXJYBFIEH-UHFFFAOYSA-N 446.537 1.336 0 40 IDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 18047051 OEFYTIQPPLIYRN-GOSISDBHSA-N 427.484 1.195 0 40 IDAB CCN1CCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)CNC(=O)c2ccccc2O3)CC1 19527780 IUZDXSPIPABEGC-GAJHUEQPSA-N 428.533 1.113 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 19530325 FJTKEDWHROHOEC-QZTJIDSGSA-N 430.549 1.561 0 40 IDAB CN(CCOC[C@@H]1CCCCO1)C(=O)CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19586146 GKLPXWWPAKIELI-UXHICEINSA-N 446.592 1.803 0 40 IDAB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(C(C)=O)CC1 23156657 DSCIGEGWYCNHJY-MRXNPFEDSA-N 442.379 1.991 0 40 IDAB NC(=O)c1nn(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)c2ccccc12 23804896 AXTIFQSVNWCFAD-RMKNXTFCSA-N 431.496 1.353 0 40 IDAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 26231118 HBOUXLNLEOZHAU-UHFFFAOYSA-N 434.503 1.119 0 40 IDAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 33497143 UGRDUZRSYVJYFX-GFHWABCWSA-N 440.481 1.876 0 40 IDAB COCCCn1c(=O)c2ccccc2n(CC(=O)NCc2cccc(OC)c2OC)c1=O 44841064 MRVVYAWHJCKQFD-UHFFFAOYSA-N 441.484 1.533 0 40 IDAB CN(C)CCN(Cc1cccnc1)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 48309238 QMKIBPBUQPHUIC-UHFFFAOYSA-N 426.564 1.084 0 40 IDAB COc1cccc(C[C@@H](C(=O)NCc2cccnc2N2CCOCC2)n2nnnc2C)c1 48366959 AMEIQYYYHQTSQM-FQEVSTJZSA-N 437.504 1.322 0 40 IDAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 89914328 MVESYMXOURTZST-OAQYLSRUSA-N 425.397 1.592 0 40 IDAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 95462385 ZHZMQRGYIBXIQH-LJQANCHMSA-N 431.456 1.338 0 40 IDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21)Nc1cc(F)ccc1F 101352894 RRFGCGIFDIMFEG-QZTJIDSGSA-N 443.366 1.668 0 40 IDAB O=C(NCCCN1CCOCC1)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 101422730 ZBDPUCXJZDSDJN-IWQHBPENSA-N 431.920 1.465 0 40 IDAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 219269424 DXFSOVUAVQISMV-CYBMUJFWSA-N 427.552 1.665 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1N1C(=O)CCC1=O 225282633 KMAYESCINOTNRA-CYBMUJFWSA-N 432.454 1.467 0 40 IDAB C[C@]12C[C@@H](c3ccccc3)C[C@](CO)(CC[C@@H](NC(=O)CCn3ccccc3=O)[C@@H]1O)O2 257212506 CDSMQWHAMNBLSS-IFDNJSJMSA-N 440.540 1.962 0 40 IDAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c(O)nc(N)nc31)CO2 257240948 HVVJJXHILNBKKG-CWTRNNRKSA-N 434.497 1.596 0 40 IDAB O=C(NCCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408592166 KJNOUXPEEHNAFK-FQEVSTJZSA-N 431.558 1.689 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N[C@H]3CS(=O)(=O)C[C@@H]3O)cc2)c1 575423338 PLJHBUIFHUJOMB-HOTGVXAUSA-N 442.515 1.074 0 40 IDAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CCn2c3nn(CCN(C)C)c(=O)c2=O)c1 585106517 HSTXXASSXBHSMS-UHFFFAOYSA-N 425.533 1.161 0 40 IDAB O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cc(Br)cc2nc(O)[nH]c12 1597594531 FTQKCAUGYLYUOJ-HWPZZCPQSA-N 444.307 1.497 0 40 IDAB C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 3594529 DUDFTNQBHGMJSM-IBGZPJMESA-N 445.273 1.954 0 40 IDAB CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@H]2[S@@]1=O 5459832 KFMXQHTUJPHSSN-MOCMYQBTSA-N 426.494 1.466 0 40 IDAB C[C@@H](NC(=O)COC(=O)CSCC(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 8882345 RTVWBUFRMDRIEU-NOCBQHASSA-N 438.590 1.843 0 40 IDAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1 9416809 PVVBSCOCLDVQBS-UHFFFAOYSA-N 444.535 1.468 0 40 IDAB C[C@H](OC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)NC(N)=O 9493418 KPFVVAPKHSUKIF-LBPRGKRZSA-N 429.458 1.805 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(Cc4ccc(OC)cc4)c(C)c(C)n23)n(C)c1=O 9713024 QCOLGVVXMIWTPH-UHFFFAOYSA-N 439.472 1.386 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2Cc2cccs2)C1=O 9730504 CUOGXWWPEFSEND-GOSISDBHSA-N 443.514 1.373 0 40 IDAB Cn1c(=O)c(C(=O)CSc2nnc(-c3ccco3)o2)c(N)n(Cc2ccccc2)c1=O 9885001 VPMUKWFHRCKMAV-UHFFFAOYSA-N 439.453 1.796 0 40 IDAB COc1ccc(Cn2c(SCC(=O)NC(N)=O)nc3ccccc3c2=O)cc1OC 10416055 GZQATPNPBIXORB-UHFFFAOYSA-N 428.470 1.749 0 40 IDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)on1 11010547 OLFAYTLYDBUCAC-ZIAGYGMSSA-N 446.485 1.714 0 40 IDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccsc1C(=O)O 12848161 ZXYNGTKXBJQQDB-UHFFFAOYSA-N 426.472 1.867 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 13074119 CIIJPNCCERKJCP-GOSISDBHSA-N 437.562 1.103 0 40 IDAB O=C(CN1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1)Nc1cccc(F)c1 13128727 IVBQJJISWUOSRU-UHFFFAOYSA-N 445.520 1.734 0 40 IDAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCO2 18891766 UEYUZVZSBSEJJC-HNNXBMFYSA-N 432.498 1.970 0 40 IDAB Cc1ccc(S(=O)(=O)N2CN3CN(C2)CN(S(=O)(=O)c2ccc(C)cc2)C3)cc1 19324001 NVLQDFUOYSUKQZ-UHFFFAOYSA-N 436.559 1.404 0 40 IDAB COc1ccccc1NC(=O)c1cnc([C@H]2CCN(C(=O)CN3CCOCC3)C2)nc1C 19766115 YXMJCIKLWXYBRP-KRWDZBQOSA-N 439.516 1.694 0 40 IDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)cc1 23674758 CHCPIIQVBBNTRQ-WOJBJXKFSA-N 440.606 1.847 0 40 IDAB Nc1c(N(CC(=O)N2CCCCC2)C[C@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 24991905 JCLVSNXMHMOAAR-GOSISDBHSA-N 441.532 1.165 0 40 IDAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 25664880 QTKLLDKZZDTARF-WOJBJXKFSA-N 438.484 1.168 0 40 IDAB Cc1ccc(-c2noc([C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)n2)cc1S(=O)(=O)N1CCOCC1 35269462 DUTYVKBDGPFYSH-JAPOXJDPSA-N 445.497 1.731 0 40 IDAB CCOC(=O)N1CCN(C(=O)Cn2cnc3c(cnn3Cc3ccccc3F)c2=O)CC1 36662967 GBUVOTLEEGITBZ-UHFFFAOYSA-N 442.451 1.081 0 40 IDAB COc1ccc(C(=O)Nc2ccc3c(c2)ncn3CC(=O)NCCN(C)C)cc1OC 61718734 UVRQOMCACDSWAR-UHFFFAOYSA-N 425.489 1.984 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CCOc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 89917037 HSOAZHMVZLHBAJ-OAQYLSRUSA-N 447.513 1.792 0 40 IDAB O=C(O)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)CCO4)CC2)o1 95389885 MMBYOZCJUJDNBO-GORDUTHDSA-N 432.454 1.459 0 40 IDAB CCC(CC)CNC(=O)c1ncn2c1CN(CC(=O)NC)S(=O)(=O)c1ccccc1-2 96147496 KJNPUHAPZIQDAQ-UHFFFAOYSA-N 433.534 1.289 0 40 IDAB NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2S1 101413074 DICCXHOPHCSSGA-NUJGCVRESA-N 436.445 1.936 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)s1 223928575 JMVGNULVTJLBTH-UHFFFAOYSA-N 444.560 1.512 0 40 IDAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCN1CCOCC1 408616511 GXVTZEXRSBKDPQ-UHFFFAOYSA-N 437.949 1.984 0 40 IDAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)c1 408650567 BPTAIKXDGNJTGS-KRWDZBQOSA-N 437.452 1.873 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC)c1 408651295 ARMRIFJBYFUKPU-YMJGMLMDSA-N 428.441 1.381 0 40 IDAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)NCc5ccccc5CS(=O)(=O)N5CCCC5)[C@H]1[C@@H]3[C@@H]42 503548745 RIYMNXRGLAFPML-VEMDBFPUSA-N 426.538 1.555 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)CC2(N3Cc4ccccc4C3=O)CCSCC2)CC1 1565524255 CNLONHYHBXTLEZ-UHFFFAOYSA-N 437.587 1.402 0 40 IDAB COCCNC(=O)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)c2cccc(Cl)n2)C1 1565556807 XDUALAFETIAXKP-HXUWFJFHSA-N 432.912 1.572 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3CCN(CC(=O)N(C)C)CC[C@H]3C2)c1 2056224145 KNFHKBDYEWITNW-IYBDPMFKSA-N 425.551 1.125 0 40 IDAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(CC3CC3)[C@@H](CNC(=O)c3ccccc3)C(=O)N2C1 2332242204 RMXBSBWEQNEQRI-UFYCRDLUSA-N 427.549 1.188 0 40 IDAB CN1C(=O)[C@@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2cccc(F)c2)C1=S 662343 YVCGPKYBMGQPPK-QGZVFWFLSA-N 428.489 1.647 0 40 IDAB COC(=O)c1cccc(NC(=O)CSc2nnnn2Cc2ccc3c(c2)OCO3)c1 1372393 TZJKEDXSULMDMR-UHFFFAOYSA-N 427.442 1.968 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)NC2CCCC2)ccc1C 9545901 WFTALCTWKOGYNJ-UHFFFAOYSA-N 439.534 1.951 0 40 IDAB Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 9613549 PGXICLINKFKFCL-AWEZNQCLSA-N 437.543 1.432 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccccc2)cc1 9806514 CCUFPAYLEVDUOT-KRWDZBQOSA-N 431.514 1.281 0 40 IDAB CC(C)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 10385980 LSMOJTYRRXAOKN-CQSZACIVSA-N 435.912 1.595 0 40 IDAB COCCN(C(=O)c1cc2cc(Br)ccc2oc1=O)[C@@H]1CCS(=O)(=O)C1 11990891 IFDCTSURHZEBHZ-CYBMUJFWSA-N 444.303 1.831 0 40 IDAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCCCN1CCCC1=O)CC1(CCOCC1)O2 12086920 UEWDCFCJOPPRNM-SFHVURJKSA-N 443.544 1.896 0 40 IDAB Cc1sc2nc(C(C)C)n3c(=O)n(CC(=O)N4CCC(C(N)=O)CC4)nc3c2c1C 12131651 IEMKYLXLGIRHDO-UHFFFAOYSA-N 430.534 1.570 0 40 IDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 12774222 OMZKIDVZERKYMU-UHFFFAOYSA-N 434.496 1.989 0 40 IDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCOCC1 13029948 GWWNWTSMEOGWBH-MRXNPFEDSA-N 435.546 1.746 0 40 IDAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)on1 13225964 WJZDUKCXECNNBA-AWEZNQCLSA-N 439.563 1.879 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CCC(=O)NC(C)(C)CC(C)=O)CC2)cc1 14129578 YYKOJVQOPOOSRK-UHFFFAOYSA-N 425.551 1.266 0 40 IDAB O=C(CCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc2c(c1)OCCCO2 14231151 NNAPRGWPTNJHCT-QGZVFWFLSA-N 436.530 1.142 0 40 IDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1C 14255420 VUDXUSLMBQXAOB-ZIAGYGMSSA-N 428.507 1.389 0 40 IDAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCCN1CCOCC1 16479128 GSWWHFSPEPTILU-UHFFFAOYSA-N 431.558 1.368 0 40 IDAB CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)N1CCOCC1 20084365 SVKVVBZPVCFGIL-GOSISDBHSA-N 426.477 1.462 0 40 IDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc2c(c1)OCO2 20745672 MSZJYDCGBDPNNZ-AWEZNQCLSA-N 429.860 1.968 0 40 IDAB Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCN(CCO)CC4)c12)OC(C)(C)CC3 20759524 SWBWPCMIIJICCC-UHFFFAOYSA-N 430.501 1.720 0 40 IDAB biogenic CCOc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 21150268 NTCUVQVVRNMULH-UHFFFAOYSA-N 442.545 1.709 0 40 IDAB COCCNC(=O)CSc1nnc(N2CCN(C(=O)c3ccccc3F)CC2)s1 23141867 MKAHXTMCSCCVCB-UHFFFAOYSA-N 439.538 1.494 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 23674416 MNHJQWYHIRXBHJ-UHFFFAOYSA-N 425.489 1.772 0 40 IDAB CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 28330740 JNVJMXUTFXSCIW-UHFFFAOYSA-N 428.577 1.871 0 40 IDAB CC(C)C(=O)Nc1nc(CC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cs1 40145180 YINQUAAXSWTJDH-UHFFFAOYSA-N 445.593 1.942 0 40 IDAB O=S1(=O)CC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2Br)C1 40446119 MPMGTABSZZLUHJ-QMMMGPOBSA-N 447.170 1.925 0 40 IDAB Cc1c([C@H]2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)N(C)S(=O)(=O)N2)cnn1C 72335080 LPOKHCWVYNLQJM-CABCVRRESA-N 431.440 1.966 0 40 IDAB COc1cccc(CC(=O)N2CCC3(CC2)O[C@@H](C(=O)N2CCCC2)Cn2ccnc23)c1 96263154 CUQXLXOUMXPDBH-HXUWFJFHSA-N 438.528 1.973 0 40 IDAB CN1C(=O)CO[C@@H](C(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)[C@H]1c1ccccc1F 223157747 ONKLTQKHTJLPEX-WOJBJXKFSA-N 449.504 1.754 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 224994938 CYEHZAHKAFTHCW-UHFFFAOYSA-N 447.513 1.699 0 40 IDAB Cn1c(=O)sc2cc(NC(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)ccc21 225034788 BNUTVVDBTXIHRE-UHFFFAOYSA-N 435.483 1.733 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225436957 IVAHPNUGRSPCDD-CQSZACIVSA-N 447.488 1.524 0 40 IDAB CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccccc3OC)C2)nc2c1CCN(C(C)=O)C2 257263071 LOGNOONXDDXELC-OAHLLOKOSA-N 445.545 1.610 0 40 IDAB Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C)C[C@H]2CN(C(=O)NC(C)C)C[C@H]23)o1 306138466 RYISUCKWXJMPEC-GOEBONIOSA-N 428.493 1.391 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c1 409252906 VGZSLXKXELLZDK-UHFFFAOYSA-N 434.470 1.973 0 40 IDAB Cc1noc(CCCNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)n1 584906673 MXDZQRQUYVTELL-UHFFFAOYSA-N 442.441 1.130 0 40 IDAB Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)nc(C)n1 585147351 JBLSMRPDAJEXGZ-GOSISDBHSA-N 446.529 1.408 0 40 IDAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(S(=O)(=O)c4sccc4C)C[C@H]3O2)cn1 2055729724 CEDHZTMAUVZDKC-USXIJHARSA-N 436.559 1.639 0 40 IDAB O=C1Nc2ccc(Cl)cc2/C1=c1/sc2n(c1=O)CN(c1cccc(C(=O)O)c1)CN=2 2197735 IHCLSZCCHAZUGR-NXVVXOECSA-N 440.868 1.467 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)c2c(OC)ccc(OC)c2C(=O)O)c1C(=O)O 2299482 JRRBAFPGNWTITA-UHFFFAOYSA-N 426.399 1.950 0 40 IDAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 3376052 GKDOACBJKLKKIV-OAHLLOKOSA-N 439.921 1.696 0 40 IDAB Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 8745712 SJJGTZQXRVAXTP-CQSZACIVSA-N 446.558 1.458 0 40 IDAB CC(=O)c1ccc(N2CCN(S(=O)(=O)CCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 8826491 ZRZAYNAWCJYRKM-UHFFFAOYSA-N 448.545 1.206 0 40 IDAB CC(=O)Nc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)cc1 8848938 GGJTXJHROQZKIY-UHFFFAOYSA-N 438.419 1.293 0 40 IDAB CC1CCN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)CC1 9095645 ZHHGESMXUQVUEJ-IEBWSBKVSA-N 449.573 1.755 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)C[C@H](C)O1 9256861 IIQNAOVFOSBSRB-IRXDYDNUSA-N 445.545 1.237 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)Nc3nccs3)CC2)cc1 9482228 YTPAJFFIJPRKPP-UHFFFAOYSA-N 438.531 1.307 0 40 IDAB CCCCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 9818576 XAJVCIBFRLVNQI-UHFFFAOYSA-N 440.547 1.766 0 40 IDAB C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9871241 ZCMOBKKHIXZBRF-UWVGGRQHSA-N 437.503 1.336 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3NS(C)(=O)=O)CC2)cc1 10112108 IINVVOJZGLWZEW-UHFFFAOYSA-N 437.543 1.513 0 40 IDAB O=C1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)c2c(nc(N3CCCCC3)[nH]c2=O)N1 12391488 DPRCUELSPVYLGH-ZDUSSCGKSA-N 425.445 1.596 0 40 IDAB COc1ccc(Cn2nnnc2SCC(=O)NC(=O)[C@@H]2COc3ccccc3O2)cc1 12798161 WQCDFHDDBCKVDO-KRWDZBQOSA-N 441.469 1.305 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)c(C)c1 13039759 RHUWFNWHZSABDC-KRWDZBQOSA-N 444.557 1.736 0 40 IDAB Cc1ccc(C)c(OCc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)o2)c1 13097539 DBZDPEHFPJVZAM-UHFFFAOYSA-N 431.474 1.220 0 40 IDAB CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)[C@H](C)CC)ccc12 15956414 DCRPSJUFMLYVCT-LRTDBIEQSA-N 432.473 1.856 0 40 IDAB biogenic O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N[C@H]1CCS(=O)(=O)C1 17638150 LYUDPBGPMUKEBD-INIZCTEOSA-N 426.491 1.472 0 40 IDAB C[C@H]1C[C@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)C2CCOCC2)CC3)CC1 19462944 NWWNZFWEBLHOKD-WMLDXEAASA-N 428.533 1.443 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccc3F)[nH]c2=O)C1 19520468 FBLZUESXAKHZJP-GOSISDBHSA-N 448.520 1.984 0 40 IDAB CCOc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCN(C)CC3)n2C)cc1 19991394 GEJNDTPEAVOMKO-UHFFFAOYSA-N 432.550 1.261 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c1 22705983 YHNAHYDHRLLDLH-QGZVFWFLSA-N 430.486 1.039 0 40 IDAB COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 22796593 UYEGMATYXMIHGY-HSZRJFAPSA-N 438.572 1.767 0 40 IDAB Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1S(=O)(=O)N1CCCCCC1 22829867 FRHDDXFPULUSQK-UHFFFAOYSA-N 436.622 1.927 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CSc2nncn2C2CC2)CC1 23008465 OKOJEXWTXZQXCQ-UHFFFAOYSA-N 440.551 1.233 0 40 IDAB COC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 23820172 MTFCDWAZCZHUJX-NRFANRHFSA-N 425.397 1.608 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 23865846 MZEZMKIXOPVKIV-OAQYLSRUSA-N 444.513 1.829 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)c1 25107902 RHDWFVXQJNVKSQ-CQSZACIVSA-N 427.505 1.209 0 40 IDAB biogenic O=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 31810676 NLFRCMFAOAMPBL-NRFANRHFSA-N 434.540 1.890 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 31811893 DWEBPENILAETQG-LLVKDONJSA-N 426.882 1.064 0 40 IDAB COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1O 33985277 WBGMKAAMRFEBHK-PZTMCFHLSA-N 432.381 1.174 0 40 IDAB biogenic,in-vitro C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)Cn2cnc3ccccc32)C[C@H](C)O1 38483734 QGPBOHSFNJALKF-HOTGVXAUSA-N 434.504 1.606 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 48261361 LXVLOQDGJMLKST-SFHVURJKSA-N 436.578 1.626 0 40 IDAB CS(=O)(=O)c1snnc1C1CCN(C(=O)COc2ccc3c(c2)OCCO3)CC1 72392495 BTZJDYXVVNWBNY-UHFFFAOYSA-N 439.515 1.498 0 40 IDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@@](C)(O)CC(=O)OCC)cc(C(C)C)nc21 96011909 DBPVETXWVWAYQO-NRFANRHFSA-N 434.493 1.052 0 40 IDAB CCOc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)ccc1OCC(=O)N(C)C 105741360 WZBTVVHOFWLHMT-UCXDMDGBSA-N 432.542 1.527 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)CC2=O)cc1C 206904570 HRNSHRAWUZISIR-SFHVURJKSA-N 446.515 1.376 0 40 IDAB C[C@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 225903725 JNYIQGHGWGMQQM-KRWDZBQOSA-N 449.625 1.168 0 40 IDAB CCN(CC(=O)NCCSc1nc(C)n[nH]1)S(=O)(=O)c1ccc(OC)c(C)c1 226070396 YEQPTDZLYIEJAB-UHFFFAOYSA-N 427.552 1.349 0 40 IDAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CC[C@](O)(CN2CCN(C)CC2)C1 257204118 ATCTXEOXVKGTIP-DEOSSOPVSA-N 440.592 1.171 0 40 IDAB Cn1nc(C(=O)N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)ccc1=O 257287512 PQHPXRJVWMWPAI-IBGZPJMESA-N 443.891 1.992 0 40 IDAB CN[C@H]1CC2(CCN(C(=O)c3ccc(OCCN4CCCC4)cc3)CC2)OC[C@]1(C)O 257331354 XSMQJLKEYXOJFB-GMAHTHKFSA-N 431.577 1.895 0 40 IDAB O=C(NCc1ccccn1)c1cn2c(nc1=O)[C@@]1(CCN(C(=O)c3ccccc3)C1)CC2 306141244 VPKZOLVLFLBTGO-XMMPIXPASA-N 429.480 1.756 0 40 IDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 524730649 RBRHGBXJMGKPOQ-MOPGFXCFSA-N 439.564 1.411 0 40 IDAB biogenic CN(C)S(=O)(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 2630714 HBAGBQXOVCKGTN-UHFFFAOYSA-N 445.950 1.850 0 40 IDAB C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 2641406 UPFYAAFZCMDTTL-NSHDSACASA-N 440.319 1.531 0 40 IDAB C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 8747759 XMSWFQJQCXZWKQ-LJQANCHMSA-N 445.273 1.954 0 40 IDAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC[C@@H]1COc2ccccc2O1 9222655 PVPJGPIJYOPZTN-CQSZACIVSA-N 438.527 1.268 0 40 IDAB COc1cc(C)cc2oc(=O)c(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c12 9253213 FVHQKIIRHDQDPO-UHFFFAOYSA-N 430.482 1.925 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)CC1 9491339 WEJSOKCPQSQPNG-UHFFFAOYSA-N 431.470 1.520 0 40 IDAB COc1cc(N2CCN(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)nc(OC)n1 11765449 KWUUPMQLRLVHLO-UHFFFAOYSA-N 433.465 1.874 0 40 IDAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)c(OC)c1 12029792 AABHLNIFXUNHBC-MRXNPFEDSA-N 439.511 1.917 0 40 IDAB CCOC(=O)c1c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)sc(C)c1C 12786222 NKZYSWKNQPERSK-LBPRGKRZSA-N 441.531 1.646 0 40 IDAB COCCCNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 13109821 RGFZUNRKYPHERE-LBPRGKRZSA-N 435.340 1.673 0 40 IDAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 13120621 YZTFFBVSJPSIFD-XMMPIXPASA-N 444.495 1.746 0 40 IDAB COc1cccc(CN(C)CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 13134273 QVPVZGOCFNEQHQ-UHFFFAOYSA-N 437.500 1.271 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NCCCOC)ccc1OC 13680812 SUKKENQAYCHEPX-UHFFFAOYSA-N 435.502 1.622 0 40 IDAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(CN2C(=O)CNC2=O)cc1 14244978 VJUYBRCPORWQEG-HXUWFJFHSA-N 440.475 1.681 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)N1CCN(c2ncccn2)CC1 14251191 XUGWNBBFEUPOMK-HSZRJFAPSA-N 434.500 1.299 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 16103348 YAXIMUFPNNBEMU-UHFFFAOYSA-N 433.534 1.527 0 40 IDAB C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 19456240 SCDHZEZXSSBWID-HNNXBMFYSA-N 428.537 1.058 0 40 IDAB NC(=O)c1ccc(-c2ccc([C@@H]3CN(CC(=O)NCc4ccccn4)CCO3)nc2)cc1 19692600 KXBPDJNUWMONSF-QFIPXVFZSA-N 431.496 1.932 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)c3ccc4c(c3)OCCO4)C1)C2=O 19700766 DZVUFJYRBRMWGS-QGZVFWFLSA-N 442.516 1.469 0 40 IDAB CN(C)CCNC(=O)c1sc2ncccc2c1[C@H]1CCN(S(=O)(=O)N(C)C)C1 19702263 YRJXBKCYXSJWFM-ZDUSSCGKSA-N 425.580 1.183 0 40 IDAB CN(C)C(=O)c1cn(C)nc1CC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 19756658 KSEAYGXCLFUWBX-UHFFFAOYSA-N 448.545 1.537 0 40 IDAB Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O 20518691 HTKOHZOQEKKTHG-UHFFFAOYSA-N 438.315 1.621 0 40 IDAB COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 23107186 KPPIMMZSMRVEBY-LJQANCHMSA-N 431.464 1.971 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 27158753 ZHDIREWKAOOZSR-KRWDZBQOSA-N 431.514 1.665 0 40 IDAB Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1NS(C)(=O)=O 29363280 PDFQINOBYOBKPY-KRWDZBQOSA-N 436.578 1.525 0 40 IDAB COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC 36589893 MWVQTIUVCSEGKD-SJKOYZFVSA-N 440.378 1.589 0 40 IDAB Cc1ccc(NC(=O)N[C@H]2CCCCNC2=O)cc1NC(=O)N[C@H]1CCCCNC1=O 40149912 CISJWEXZCQCCSA-HOTGVXAUSA-N 430.509 1.575 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](c2ccccc2F)c2nccn2C)CC1 40155834 GETKABDOPLFBQW-INIZCTEOSA-N 425.486 1.257 0 40 IDAB COc1cc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc(OC)c1OC 44917696 IRTKKELXOQZJDN-GOSISDBHSA-N 436.486 1.556 0 40 IDAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccnc(N2CCOCC2)c1 48265248 BWRGYZWKFCNXOY-UHFFFAOYSA-N 429.868 1.486 0 40 IDAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 57611566 RMCJSVVQLDVIJS-QGZVFWFLSA-N 436.559 1.688 0 40 IDAB O=C(Cc1csc(N2CCCC2=O)n1)NCCS(=O)(=O)N1CCc2ccccc21 58304529 JCVDRUKLENGECM-UHFFFAOYSA-N 434.543 1.321 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)N[C@H](C)c4ccccc4)c(=O)c3s2)CC1 67319321 WCZNVLBWDQMQHV-OAHLLOKOSA-N 426.546 1.872 0 40 IDAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 71279710 ZTDFGGWUBKMOTB-CQSZACIVSA-N 436.921 1.646 0 40 IDAB CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1O)c1cc2ccc(OC)cc2n(C)c1=O 72324629 QLRREDOGNDXOML-HNNXBMFYSA-N 429.425 1.783 0 40 IDAB biogenic Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)c3cc(C)n(C)n3)CN(C)C(=O)C2)no1 96113329 ZJRKVZFLFURNKS-HZPDHXFCSA-N 430.509 1.088 0 40 IDAB biogenic,in-vitro O=S1(=O)CC[C@@H](NC2CCN(S(=O)(=O)c3ccc(Cl)c4ncccc34)CC2)C1 97163880 DEZCPEOPYSXARM-CQSZACIVSA-N 443.978 1.818 0 40 IDAB Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 106670713 ONJOLLPGLQJAAY-KBPBESRZSA-N 433.534 1.143 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)s1 223405280 VXVUZDYIXMFDPW-UHFFFAOYSA-N 444.560 1.825 0 40 IDAB CCN1CCN(CC(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](NC(C)=O)CC2)CC1 257243941 IJFFOUAXGUCNSU-FIXSFTCYSA-N 430.593 1.118 0 40 IDAB COCC(=O)N1CC[C@@]2(C1)CN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccccc1O2 306128753 HJSIBVORRCYKFI-JOCHJYFZSA-N 446.525 1.896 0 40 IDAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCCN1CCOCC1 408626045 ZEGXIOHPILXWKJ-UHFFFAOYSA-N 449.548 1.855 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCOCC2)C1 408713590 IUIACIXQGXKIQY-MRXNPFEDSA-N 443.541 1.074 0 40 IDAB Cc1cccc2c(=O)n(Cc3nc(-c4cccc([C@@]5(C)NC(=O)NC5=O)c4)no3)cnc12 544423858 BZMSUGCVGDLAGE-JOCHJYFZSA-N 430.424 1.858 0 40 IDAB NS(=O)(=O)c1ccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1 1775965919 KJRRRABZEFRLAA-UHFFFAOYSA-N 430.530 1.322 0 40 IDAB O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 932249 MVXCOBOHEKMQSU-UHFFFAOYSA-N 427.442 1.571 0 40 IDAB Cc1c(NC(=O)COC(=O)Cn2nnc(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C 3321419 DRASMNVNVBASMQ-UHFFFAOYSA-N 447.455 1.320 0 40 IDAB CC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1 3346886 VDZLBMGTRMKPGU-FQEVSTJZSA-N 441.509 1.528 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](Nc2cccc(C)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4256081 GMHYNAOFGRHEHB-XIYVOTBMSA-N 437.445 1.490 0 40 IDAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)ccc12 8952410 FLMGBCAFMSXNQD-INIZCTEOSA-N 446.504 1.655 0 40 IDAB biogenic CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 9355937 VCIRVTJQPNZIIS-NRTGNBEESA-N 439.342 1.971 0 40 IDAB COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4cccc(-n5cnnn5)c4)C3=O)n2)cc1 9385622 DAJSJLSDMHWCIM-NRFANRHFSA-N 446.427 1.688 0 40 IDAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)cnc32)cc1C 9517818 GOHBEZYLRYWESZ-UHFFFAOYSA-N 443.511 1.943 0 40 IDAB C[C@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 9666215 CWMRTBWTJWTHNW-ZYSHUDEJSA-N 443.500 1.569 0 40 IDAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC[C@@H]3CCCO3)[nH]c2=O)cc1 12033243 BOFOKBSBSFVNJH-ZDUSSCGKSA-N 433.490 1.000 0 40 IDAB CS(=O)(=O)c1cc(Cl)cnc1C1CCN(C(=O)CN2C(=O)CSC2=O)CC1 12186905 GUEXNBGWFVFVNY-UHFFFAOYSA-N 431.923 1.540 0 40 IDAB CCOCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(F)cc2)n(C)c1=O 12231760 BYWFITVUXOZJKN-UHFFFAOYSA-N 440.479 1.923 0 40 IDAB Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 13691642 ZUCFXFUGGHQVNO-OFLPRAFFSA-N 428.576 1.383 0 40 IDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)C1 13790550 JRSVMMZNGSXMCY-CYBMUJFWSA-N 426.539 1.756 0 40 IDAB C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 14246370 XNUFIFBXXOCJEN-VIFPVBQESA-N 426.834 1.900 0 40 IDAB Cc1nn(Cc2noc(C(=O)NCCNC(=O)c3cccnc3)n2)c(C)c1Br 15082242 FTBMSWOYLJKYRS-UHFFFAOYSA-N 448.281 1.249 0 40 IDAB COc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 15381315 DNEBYUQNRXQWPW-UHFFFAOYSA-N 434.514 1.833 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 16032671 YXCRQEGMDQRINR-ASSNKEHSSA-N 444.484 1.782 0 40 IDAB biogenic CCOC(=O)Cc1csc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 17297074 GWLULZQRIVNSAK-GFCCVEGCSA-N 446.485 1.947 0 40 IDAB CS(=O)(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19700710 DTLPTCUFGFZZKV-UHFFFAOYSA-N 434.562 1.245 0 40 IDAB CS(=O)(=O)N1CCc2cc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)ccc21 19819405 BJONTUXFOZVVNI-UHFFFAOYSA-N 435.527 1.936 0 40 IDAB COc1cccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCOCC2)c1 19819950 GJFZYTQHDFHLSP-IBGZPJMESA-N 434.514 1.818 0 40 IDAB CC(C)[C@]1(C)NC(c2nc3ccccc3cc2C(=O)N[C@H]2CCS(=O)(=O)C2)=NC1=O 20649685 LOVSGJPAYASHOD-QKKBWIMNSA-N 428.514 1.443 0 40 IDAB CN(C)S(=O)(=O)c1cccc(CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1 21624324 ZGNNOAWTNCOQIX-ZDUSSCGKSA-N 431.561 1.589 0 40 IDAB O=C(c1ccccc1)N1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1 21708217 OJSVLPOAYGKXRE-UHFFFAOYSA-N 432.480 1.921 0 40 IDAB CCCCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 22931211 VCNSIWKFQZLRPV-AWEZNQCLSA-N 435.594 1.197 0 40 IDAB COc1ccc(N2C[C@H](C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 32071275 NZWBAAPRENOMJK-GOSISDBHSA-N 436.512 1.513 0 40 IDAB CCS(=O)(=O)N1CCC(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)CC1 32907607 JHRWOVODOVHSSL-QGZVFWFLSA-N 431.505 1.650 0 40 IDAB COc1ccc(NC(=O)C(=O)NCCc2ccc(O)cc2)cc1N1CCCCS1(=O)=O 40266997 YMJBVJVMXVQZLS-UHFFFAOYSA-N 447.513 1.628 0 40 IDAB NC(=O)NCCC[C@@H](NC(=O)CCn1ccc2c(Br)cccc21)C(=O)O 40308956 PNLACOFCRVYEKU-CYBMUJFWSA-N 425.283 1.812 0 40 IDAB biogenic COC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@H]1c1cccs1 57416034 REVGCRZLTFSRNQ-KRWDZBQOSA-N 430.486 1.580 0 40 IDAB COc1ccccc1N(C[C@@H](O)CN1CCCN(C)CC1)S(=O)(=O)c1ccccc1 61721848 UNOYEAQQXDYAGQ-IBGZPJMESA-N 433.574 1.889 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)[C@@H]2CN(c4ncccn4)C[C@@H]2C(=O)N3C)cc1 96143561 AJUIGMAUPVOLHA-RBUKOAKNSA-N 441.557 1.533 0 40 IDAB CC(=O)CN1CC2(CCN(C(=O)c3cc(C)on3)CC2)COc2ccccc2S1(=O)=O 96263559 GZDFSMJZMVDWPY-UHFFFAOYSA-N 447.513 1.878 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 253571993 PQMKZDYILXCIJA-SMTRIPRVSA-N 447.491 1.589 0 40 IDAB O=C1CO[C@@H](C(=O)NS(=O)(=O)c2ccc(Br)cc2)[C@@H](c2ccccc2)N1 257300629 RVCXGSDJYVWMJY-HZPDHXFCSA-N 439.287 1.510 0 40 IDAB CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 509664852 PIGGIJLSBYDLGN-UHFFFAOYSA-N 446.529 1.773 0 40 IDAB O=C(NC[C@@H](O)CO)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1cccnc1 643583955 PYRGHYDSBQDOFT-OAQYLSRUSA-N 440.544 1.865 0 40 IDAB CC(=O)N1CCCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c2ccccc21 673714006 IISODRRXHGGRRX-HNNXBMFYSA-N 442.541 1.875 0 40 IDAB CC[C@H](C(=O)NCCOC)n1nc(-c2nc(-c3ccc(OC)c(F)c3)no2)ccc1=O 888106893 CIWZNAVXQXQRGF-OAHLLOKOSA-N 431.424 1.822 0 40 IDAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(COc4ccc5c(c4)OCO5)nn23)C1 1501040097 AHCGWPISHJOBFY-LLVKDONJSA-N 437.503 1.633 0 40 IDAB COc1ccc([C@H](CC(=O)NCCCN2CCN(C)CC2)c2oc(C)cc(=O)c2O)cc1 1547139175 LBQTYBKZAJKWPP-FQEVSTJZSA-N 443.544 1.938 0 40 IDAB biogenic COc1ccc2c(=O)n(CC3CCN(C(=O)Cn4cnc(C)c(C)c4=O)CC3)cnc2c1 1848630345 RLRSXNVKVGHDGE-UHFFFAOYSA-N 437.500 1.517 0 40 IDAB COCCCn1c(C)cn2c3c(=O)n(CC(=O)OCc4ccccc4)c(=O)n(C)c3nc12 8706555 FNIGXQPEFDXOMF-UHFFFAOYSA-N 439.472 1.238 0 40 IDAB CCOc1ccc(N2CCn3c2nn(CC(=O)NCc2ccc(C)cc2)c(=O)c3=O)cc1 8849481 PNMMOHNIBHFPQI-UHFFFAOYSA-N 435.484 1.580 0 40 IDAB Cc1c(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9306844 XKXWPWPPCOORKR-IRXDYDNUSA-N 447.509 1.962 0 40 IDAB C[C@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N(C)C)cc1 9551277 AELJXFIXWMQNPJ-AWEZNQCLSA-N 444.513 1.752 0 40 IDAB Cc1cc(C)n(CCCNC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)n1 9730242 LGJXNZRDDUYEIM-UHFFFAOYSA-N 428.522 1.574 0 40 IDAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1cccs1)CS(=O)(=O)C2 10250600 QVELMBYVDBEPKZ-UHFFFAOYSA-N 430.511 1.926 0 40 IDAB CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC[C@@H]3CCCO3)[nH]c2=O)cc1 12033413 YJGQEWXRZJXZAX-AWEZNQCLSA-N 447.517 1.390 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CN1Cc1ccco1 12594320 KOKIWFAVPACESD-OAHLLOKOSA-N 435.477 1.300 0 40 IDAB Cc1cccc(C)c1NC(=O)CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 13109050 HHXYMRHHHUOXQJ-UHFFFAOYSA-N 447.513 1.498 0 40 IDAB O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1nnc2ccccn12 14190011 NWAIROYLRBJXIB-SFHVURJKSA-N 441.513 1.728 0 40 IDAB O=C(NC1CCN(C(=O)CCNC2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1 14246426 UOQSJQMAYSBJQX-UHFFFAOYSA-N 440.525 1.536 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 17169527 PYFMMBOKPYJJTB-LBPRGKRZSA-N 447.351 1.918 0 40 IDAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 18011821 HEPTXBCCEWEHEQ-UHFFFAOYSA-N 442.394 1.847 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1Cl 19533665 KCLIXFPDZIONDQ-UHFFFAOYSA-N 429.970 1.913 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)NCc3cccs3)CC1)CNC2=O 19562809 NDKIIEYUYGRACA-QFIPXVFZSA-N 443.525 1.947 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(Cc4ccccc4)CC3)N2)cc1 20374220 RRRKESRGFQFPSQ-OAQYLSRUSA-N 448.527 1.646 0 40 IDAB CCN(C(=O)[C@@H](C)OC(=O)COc1cccc2c1OC(C)(C)C2)[C@@H]1CCS(=O)(=O)C1 24224304 RZIDMFHIHFURHG-GDBMZVCRSA-N 439.530 1.746 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2CCc1ccccc1 56952809 SHWYVGKLRUDTMV-UHFFFAOYSA-N 444.539 1.988 0 40 IDAB CN(C)CCn1c(=O)oc2ccc(NC(=O)c3nc(S(C)(=O)=O)n4ccccc34)cc21 58740401 VWPPWOXKNHWJIA-UHFFFAOYSA-N 443.485 1.460 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)cc1 67318836 IZVGIOPGHGHHIG-UHFFFAOYSA-N 449.463 1.899 0 40 IDAB O=C(C[C@@H]1CCCCO1)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 72352100 RJRXUURPNUZGIV-KRWDZBQOSA-N 431.537 1.167 0 40 IDAB CC(C)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CC1 85419045 WRGMRLARACOQRP-RDTXWAMCSA-N 425.526 1.646 0 40 IDAB Cc1cccc(CN2CCn3c(nn(CC(=O)Nc4ccc(F)cc4F)c3=O)C2=O)c1 98213149 RAMWZCUEPSLEIQ-UHFFFAOYSA-N 427.411 1.926 0 40 IDAB CCOCCn1/c(=N\C(=O)c2cc(C)nn2CC)sc2cc(S(N)(=O)=O)ccc21 101342214 MGHMQXZWNOOMNQ-CZIZESTLSA-N 437.547 1.653 0 40 IDAB COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 106187104 BZFLVNVYPHVOLG-JKIFEVAISA-N 425.507 1.654 0 40 IDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)s1 223147784 RCANYRUVHUVWHT-UHFFFAOYSA-N 437.547 1.734 0 40 IDAB CSc1nnc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 225304796 PUMROOMMDVLQMN-VIFPVBQESA-N 430.533 1.824 0 40 IDAB Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 245231716 JESAKGFQNKXLOS-NFJROIKOSA-N 434.489 1.835 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)C3[C@H]4[C@H]5CC[C@@H](C5)[C@H]34)nc2C1 247554285 WVDUAZJYPNDDPK-NXAPBCJLSA-N 432.546 1.456 0 40 IDAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(CC(=O)Nc1ccc(OC)cc1)CC2 257244346 IKWXMSFHSXBOHC-INIZCTEOSA-N 438.532 1.860 0 40 IDAB O=C(C[C@@H]1CCCN(C(=O)c2ccnc(N3CCOCC3)c2)C1)NCCn1ccnc1 257280149 OJRQCCYTJPGQAF-SFHVURJKSA-N 426.521 1.173 0 40 IDAB CN1CCN(C(=O)CCc2cc(O)no2)C[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 257315516 VBTQHFKUQIZJNO-IBGZPJMESA-N 427.505 1.694 0 40 IDAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cc(C)on4)c3)C(=O)[C@@H]21 408663852 OZGJHJAPAUYPAX-SOHDHNSJSA-N 435.436 2.480 0 40 IDAB COCCNC(=O)CN1C(=O)S/C(=C\c2cc(Br)c(O)c(OC)c2)C1=O 409202117 OYPXMDAAQKUNRW-GHXNOFRVSA-N 445.291 1.962 0 40 IDAB CS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 568466481 HMEBPILJTDJEBP-SJLPKXTDSA-N 428.576 1.378 0 40 IDAB CC(=O)NC1=NN(C(C)=O)[C@](C)(CS(=O)(=O)c2ccc(Br)cc2)S1 859555 BLZGCWQSLYVNMK-AWEZNQCLSA-N 434.337 1.941 0 40 IDAB CCC[C@@H](C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N 4374130 LDZDPQVNCKALJP-KBPBESRZSA-N 437.566 1.673 0 40 IDAB CCCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)[C@H]1CCS(=O)(=O)C1 8862330 HUTDDEPKNBAZSV-ZDUSSCGKSA-N 439.515 1.983 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCSc1nc2ccccc2o1 9159451 GBUGMSONBKXJIS-UHFFFAOYSA-N 428.474 1.193 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)NC(=O)N[C@H]1C 9462897 ADDBGSIZQUFUTF-HOCLYGCPSA-N 429.473 1.405 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(C)cc1 9631578 IWWGBRNLBJOXGN-UHFFFAOYSA-N 426.516 1.825 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 10216332 JQMSJDUVWYYQDP-UHFFFAOYSA-N 442.497 1.848 0 40 IDAB CCOC(=O)N1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)CC1 11758422 FEABKGRRVZCDLV-UHFFFAOYSA-N 444.879 1.536 0 40 IDAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030776 LLGGMPDRUZJOBH-MRXNPFEDSA-N 437.495 1.671 0 40 IDAB O=C(OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1cccnc1N1CCCC1 12684895 CEEJDVSCHQPHLT-KRWDZBQOSA-N 435.546 1.797 0 40 IDAB O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 13100498 FTKACMJOGMPBAB-UHFFFAOYSA-N 434.503 1.061 0 40 IDAB CC(C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CC1 13629000 WRGMRLARACOQRP-KDOFPFPSSA-N 425.526 1.646 0 40 IDAB O=C(OCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 14677938 LLNKJYKXDXWVEK-UHFFFAOYSA-N 439.440 1.584 0 40 IDAB O=C(COc1ccc(Br)cc1Br)N[C@H]1CCS(=O)(=O)C1 16049512 ICQOBUWCNFQEDY-VIFPVBQESA-N 427.114 1.894 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3cccc(C)c3)C1)C2=O 19699738 YTQQGTLESNQHJU-LJQANCHMSA-N 440.544 1.852 0 40 IDAB CN(C)C(=O)c1cc([C@H]2CCN(C(=O)CCNC3=NC(=O)CS3)C2)nc2ccccc12 19761488 CPXBKHRWWYITBU-AWEZNQCLSA-N 439.541 1.862 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CN1C(=O)NC2(CCCCC2)C1=O 22096214 OPTCOQKEMSQCBK-MRXNPFEDSA-N 437.566 1.504 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 23845663 HSKCIFHFLCKCLO-QFIPXVFZSA-N 439.424 1.998 0 40 IDAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCCCN1CCOCC1 24608131 JAMCTIFKUFKKDT-UHFFFAOYSA-N 433.505 1.840 0 40 IDAB COc1ccc(CCN2CC(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 56998034 ODVVGDFJWVSFSW-OALUTQOASA-N 430.526 1.761 0 40 IDAB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 69617828 IPVGVQIDKGNSPK-KRWDZBQOSA-N 425.576 1.758 0 40 IDAB COCCCNC(=O)c1nnn(-c2cccc3c2CCN(S(=O)(=O)C(C)C)C3)c1C 71890460 NKSBBBJNIMFKFK-UHFFFAOYSA-N 435.550 1.438 0 40 IDAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCC(C(N)=O)CC3)CC1)O2 72328085 XPRWRXVZOVIGBF-VOIUYBSRSA-N 441.528 1.824 0 40 IDAB CC(=O)Nc1ccc(C(=O)N2Cc3cn(C)nc3[C@@H](C(=O)NCc3ccccn3)C2)cc1 72345613 RXLJHCRNXNEBKC-FQEVSTJZSA-N 432.484 1.830 0 40 IDAB COc1ccc([C@H](CNCc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)N2CCOCC2)cc1 79108822 NHNCQFRNEKBKHD-FCHUYYIVSA-N 448.589 1.589 0 40 IDAB O=C(CNc1ccn(CC(F)(F)F)n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 95430816 VRKPSODAAUXXBV-UHFFFAOYSA-N 447.439 1.517 0 40 IDAB CC(=O)NCCN(CC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H](C)C(=O)OC(C)(C)C 96004585 OHANFOVOAGXPDY-HNNXBMFYSA-N 435.521 1.955 0 40 IDAB CCN1CC[C@]2(CN(CCOC)CC23CCN(S(=O)(=O)c2cccs2)CC3)C1=O 96262810 VXBFGLMDBCAJSU-FQEVSTJZSA-N 441.619 1.720 0 40 IDAB O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCCN2CCOCC2)CC1 101450322 UGQCWTLZVDPDNI-TYKWCNGQSA-N 444.576 1.178 0 40 IDAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C)cc3)C2)c1 138668211 FAHYSMGWWNXWRF-INIZCTEOSA-N 425.441 1.679 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 225224436 RLAFWGWLNHQGHB-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB O=C(NCC(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1)OCc1ccccc1 225759337 KYZLSBFTTSXKGP-UHFFFAOYSA-N 436.468 1.780 0 40 IDAB CCn1ccc(NC(=O)[C@H]2CN(C(=O)CCc3ccc4c(c3)OCCO4)CCN2C)n1 257211743 CAGHVDPTKHYEOL-QGZVFWFLSA-N 427.505 1.388 0 40 IDAB COCCNC(=O)CN1CC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 257281337 OORZVPYFUBSTBT-LJQANCHMSA-N 437.544 1.816 0 40 IDAB O=C1CCCN1CCOCC(=O)N1CCO[C@H](c2cncc(-c3ccccc3F)n2)C1 257290661 QDVMMWQQZOYILO-FQEVSTJZSA-N 428.464 1.822 0 40 IDAB O=C(OCCOCCO)N1CCN(c2cccc3c2=c2ccccc2=NSC=3)CC1 1569997709 OPRYUJSTBRKCMR-UHFFFAOYSA-N 427.526 1.260 0 40 IDAB CS(=O)(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)n1 1775964066 QAPZTVFYDDBZGV-LBPRGKRZSA-N 434.396 1.881 0 40 IDAB biogenic,in-vitro CN(C1=NS(=O)(=O)c2ccccc21)[C@H]1CCN(C2=NS(=O)(=O)c3ccccc32)C1 1888944012 UTMYACZBSGRNJC-ZDUSSCGKSA-N 430.511 1.291 0 40 IDAB O=C(CCNC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)NCc1ccncc1 8993550 ZJLZFXCAFUUHNS-UHFFFAOYSA-N 434.500 1.737 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCCc2ccccc2)cc1 11307894 DQFGTEXTACLTRK-UHFFFAOYSA-N 432.498 1.460 0 40 IDAB CN(C)CCSc1nnc2c3c(=O)n(C)c(=O)n(C)c3nc(-c3ccccc3Cl)n12 12390915 VZCJUGRCPDMSQS-UHFFFAOYSA-N 445.936 1.649 0 40 IDAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cc2)cc1 12391607 UAMLWVFEVPOILA-MRXNPFEDSA-N 436.511 1.214 0 40 IDAB CN(C)C(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 12694223 LHWNWKSEHVUMCT-UHFFFAOYSA-N 448.520 1.473 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCn3ccnc3)C2)cc1OC 13119442 PLISKBQMWDTXRA-MRXNPFEDSA-N 436.534 1.508 0 40 IDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 13163296 OEPRLGQVFRUESP-UHFFFAOYSA-N 435.502 1.283 0 40 IDAB Cc1c(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 13628418 SMQCJKQDZFQTHC-SJORKVTESA-N 445.493 1.543 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccc(=O)[nH]c1 13778506 MOOAWQMWKINOLO-UHFFFAOYSA-N 433.486 1.653 0 40 IDAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n2C 15880396 OLJPQNJTGMAAKS-UHFFFAOYSA-N 426.429 1.212 0 40 IDAB CN1CCN(c2sc(S(C)(=O)=O)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 15943702 WXHOGJABBJXQLL-UHFFFAOYSA-N 435.980 1.785 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 16024517 OIKKBCRHDHEIBE-YWNPBTLJSA-N 439.899 1.950 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)N3CCCC[C@@H]3C)CC1)O2 19496282 YSCUQFWZJLKYKM-HJPURHCSSA-N 429.517 1.970 0 40 IDAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)N2CCOCC2)nc2c1CCC(=O)N2CC1CC1 19698482 BJULGUUCJPELKQ-SFHVURJKSA-N 449.577 1.578 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCc3ccccc3)C1)C2=O 19699614 OBXSUTALLZCFOL-LJQANCHMSA-N 440.544 1.933 0 40 IDAB Cc1cc(NC(=O)Cn2cc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)ccc2=O)no1 19751172 DBWLVHZXFYNCSS-LJQANCHMSA-N 435.484 1.912 0 40 IDAB Cc1nc([C@H]2CCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)ncc1C(=O)N1CCOCC1 19757602 PZVCZTNCAHDJGY-INIZCTEOSA-N 440.548 1.918 0 40 IDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 23248773 HUSNGKQDWCGAFS-IBGZPJMESA-N 439.512 1.831 0 40 IDAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc21 24534691 HOVBBMRQIHSXJG-CYBMUJFWSA-N 427.457 1.575 0 40 IDAB CC1(C)CC(=O)c2sc(NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)nc2C1 32913551 SPBHDSAFRWUERY-UHFFFAOYSA-N 426.506 1.986 0 40 IDAB CC(=O)O[C@H]1[C@H]2C3C(C=C[C@@H]2[C@H]1OC(C)=O)C1C3C=C[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]12 33783521 NVFCLEIDAMUEOZ-OVVSFCNVSA-N 444.480 1.823 0 40 IDAB CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NC[C@@H]1CCCO1 35374115 WWKDEHZDZYUOBI-KRWDZBQOSA-N 443.479 1.171 0 40 IDAB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 40081139 QSPOBEDRXULVEY-CALCHBBNSA-N 427.592 1.585 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 44883977 RDFOSGWWLFYFBW-OAHLLOKOSA-N 446.595 1.174 0 40 IDAB CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 57415501 VMGZKUZGOLEXTG-LJQANCHMSA-N 430.505 1.454 0 40 IDAB CS(=O)(=O)Nc1cccc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 62022701 RMAUHVFSRCOCLI-UHFFFAOYSA-N 441.517 1.889 0 40 IDAB C[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326804 PANPVAPPWJRXQF-GGUMNFRJSA-N 439.560 1.636 0 40 IDAB CC(=O)N1CCCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)CC1 72327637 NIMZWMYLDOQQTE-BXKMTCNYSA-N 441.528 1.872 0 40 IDAB C[C@@H](C(=O)NC1CCCCC1)N1CC[C@@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 72342466 IKZXNYWLPQRPRE-BTYIYWSLSA-N 434.562 1.937 0 40 IDAB Cc1cc(C)nc(Nc2cccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2)n1 79483469 FWMKZRRZXLDGQO-LJQANCHMSA-N 429.546 1.782 0 40 IDAB Cn1nc(Br)c2c(N3CCN(C(=O)c4ccc5[nH]cnc5c4)CC3)ncnc21 89745381 CORGONZWKNIOBU-UHFFFAOYSA-N 441.293 1.965 0 40 IDAB CN(C)CCN1[C@H]2CCN(c3ncc(F)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263967 KXWGEGMSTJJTMN-IRXDYDNUSA-N 435.525 1.598 0 40 IDAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O 408653048 HINBHYTYQDBVTG-MRXNPFEDSA-N 439.468 1.987 0 40 IDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 409308976 ZWVOTOWOHTYION-VMUDFCTBSA-N 439.205 1.667 0 40 IDAB NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 504537428 AQTXQMDMTDVYHA-JVGYHMDPSA-N 438.871 1.531 0 40 IDAB biogenic CCOC(=O)N1CCN(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)CC1 2720486 XZVLUHLTACGHER-HNNXBMFYSA-N 434.474 1.975 0 40 IDAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 9184514 QXBGUBKPPKYLJO-UYAOXDASSA-N 448.566 1.414 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2CCc3sccc3[C@H]2c2cccs2)n(C)c1=O 9366865 IMVKZTDVJVLYEG-INIZCTEOSA-N 441.538 1.731 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(O)cc1 9438602 FMWVUUFAXKZIIC-UHFFFAOYSA-N 434.470 1.517 0 40 IDAB Cc1cc(C(=O)COC(=O)C2=NNC(=O)CC2)c(C)n1C[C@H]1COc2ccccc2O1 9492884 QHHQRNSQXIKOTA-HNNXBMFYSA-N 425.441 1.937 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(OC)c2)n(C)c1=O 9518974 VSGCIPTZGRUSKM-ZDUSSCGKSA-N 427.461 1.256 0 40 IDAB COc1ccc(-n2c(C)cn3c4c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c4nc23)c(OC)c1 9713046 NAHPCFCEGCVENY-GFCCVEGCSA-N 425.445 1.614 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4cc(C)ccc4OC)c(C)cn23)n(C)c1=O 9713091 XNTBLFKIVBZZOF-UHFFFAOYSA-N 425.445 1.327 0 40 IDAB COc1ccc(OC)c(N(CC(=O)NCCCN2CCCCCC2)S(C)(=O)=O)c1 10111170 BEVWSIUCDKADOU-UHFFFAOYSA-N 427.567 1.852 0 40 IDAB COc1cc(C)cc2oc(=O)c(CC(=O)N[C@H](CCCCNC(N)=O)C(=O)O)c(C)c12 11865463 JUWDLUWPZOGUNB-CQSZACIVSA-N 433.461 1.369 0 40 IDAB biogenic COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2oc(C)nc2C)C[C@@H]1C(=O)N(C)C 12125510 XETWQEOUYANXHK-JPYJTQIMSA-N 440.500 1.575 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(Cc3ccncc3)CC2)cc1 12551177 RHRNOYFMEPASMD-OAQYLSRUSA-N 428.558 1.888 0 40 IDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12731801 LYJYLPFHNOYXCK-UHFFFAOYSA-N 429.498 1.516 0 40 IDAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 15713344 VDGCMXSZGGZLRI-UHFFFAOYSA-N 433.440 1.692 0 40 IDAB O=S(=O)(c1ccccc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 15884152 KLBKSBFEIXIUOJ-UHFFFAOYSA-N 439.476 1.861 0 40 IDAB Cc1cc(C(=O)NCCn2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)no1 17014134 VSHIOLCKEODPLY-UHFFFAOYSA-N 432.488 1.879 0 40 IDAB CCn1nc(CC(=O)NCCn2nc(-c3cccs3)oc2=O)c2ccccc2c1=O 19523697 YMIIZOBTGMDJNF-UHFFFAOYSA-N 425.470 1.654 0 40 IDAB CN(CCOC[C@H]1CCCCO1)C(=O)CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19586148 GKLPXWWPAKIELI-WOJBJXKFSA-N 446.592 1.803 0 40 IDAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)[C@H](C)CN1CCOCC1)CC2 19711386 QYGROEFACCYQJA-MRXNPFEDSA-N 444.580 1.097 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 22224459 UJXPKRQDVWSEEB-NRFANRHFSA-N 448.401 1.968 0 40 IDAB Cc1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1S(=O)(=O)N1CCOCC1 23680890 NOANSSPZFAJTLF-KXBFYZLASA-N 439.559 1.408 0 40 IDAB Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(OCC(=O)N3CCc4ccccc43)cc1)NC(=O)N2 32094795 PCKZIFLBXHSRAI-IBGZPJMESA-N 447.451 1.266 0 40 IDAB O=C(NCCS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccc2[nH]c3c(c2c1)CCCC3 36396783 FGFVZZNNIMOIIU-UHFFFAOYSA-N 447.557 1.945 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1N(C)CCc1ccncc1 36594922 UWUWPTMVACQKTE-XLIONFOSSA-N 438.571 1.512 0 40 IDAB O=c1c2cnc(N3CCN(c4ccccc4)CC3)nc2ccn1CCCN1CCOCC1 39383811 YJHKFUJGZLZYEE-UHFFFAOYSA-N 434.544 1.840 0 40 IDAB COC(=O)c1cnc(N2CCO[C@H](c3ccccc3)C2)c(S(=O)(=O)N2CCOCC2)c1 40153535 FVTJLEKSCMRQEU-SFHVURJKSA-N 447.513 1.467 0 40 IDAB O=C(CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)NCc1ccncc1 58015749 PAGLRHSUIXWGCL-UHFFFAOYSA-N 428.448 1.924 0 40 IDAB CS(=O)(=O)N1CCCN(c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)CC1 72301806 QWBILZGLOMDLKE-UHFFFAOYSA-N 446.501 1.632 0 40 IDAB Nc1c(C(=O)[C@@H]2CCCN2C(=O)COCCN2CCCC2=O)cnn1-c1cccc(F)c1 72391162 ZPVNYIOOYRAYQJ-SFHVURJKSA-N 443.479 1.406 0 40 IDAB O=C(NC[C@H]1O[C@H](Cc2cc(CN3CCNCC3)on2)CC[C@@H]1O)c1ccccc1F 96296054 RBKHMCODWVHNGG-ORYQWCPZSA-N 432.496 1.100 0 40 IDAB biogenic,in-vitro CCOC(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1CC(=O)N1CCCCCC1 96794308 BLJWOUNMVKLNRH-DKPWPWCWSA-N 432.517 1.624 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)C3[C@H]4[C@H]5CC[C@@H](C5)[C@H]34)nc2C1 247511746 INKFFTWCIDANCQ-IGISWZIWSA-N 446.573 1.846 0 40 IDAB CN1CCC(N(C)CC(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)CC1 248135238 OKMJVLQZRBOIFB-SFTDATJTSA-N 425.577 1.947 0 40 IDAB C[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1 408614883 JGKNJKMXWUZNDR-WMZOPIPTSA-N 425.485 1.232 0 40 IDAB O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCS(=O)CC1 553007633 IDCYOKWXVSQHHI-IBGZPJMESA-N 436.530 1.532 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5cc(C)ccc5OC)C[C@@H]4C3)ncnc21 1888941700 FDLRGVTZTUNBKB-HOTGVXAUSA-N 442.545 1.920 0 40 IDAB Cn1cccc1C(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 2633865 FHHLZYLPSQMQOQ-UHFFFAOYSA-N 447.513 1.703 0 40 IDAB Cc1ccc(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)cc1 3273628 YHFYXIRUWAXQFG-FZKQIMNGSA-N 440.905 1.858 0 40 IDAB Nc1nc2ccc(COc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 4621661 MNMMLPGKBNWPGY-INIZCTEOSA-N 440.412 1.132 0 40 IDAB CC1=NN(CC(=O)O)c2nc3c(c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)n2C1 8991109 VDNSGJITEQYZBO-UHFFFAOYSA-N 434.815 1.018 0 40 IDAB Cc1cc(C)cc(-n2nnnc2SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)c1 9049367 ISXJNLNMGUOSBW-UHFFFAOYSA-N 428.518 1.559 0 40 IDAB Cc1ccc(SCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1 9128667 OZOYEFCBSIXQQB-UHFFFAOYSA-N 436.555 1.945 0 40 IDAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 9477891 RAYJTELBYBXFET-UHFFFAOYSA-N 432.531 1.952 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3-c3cccc(OC)c3)c2=O)cc1 9857652 NPDFPGPPPWJAPT-UHFFFAOYSA-N 434.412 1.411 0 40 IDAB COc1ccc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)cc1OC 12080473 GFLORGUQLQZLDR-UHFFFAOYSA-N 432.381 1.186 0 40 IDAB biogenic Cc1nc(C)c(C(=O)N2C[C@H](C(=O)N(C)C)[C@]3(COc4ccccc4C(=O)N3)C2)s1 12123518 JJBXXZFIXBDMIG-QVKFZJNVSA-N 428.514 1.481 0 40 IDAB O=C(CSc1nnc2ccccn12)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12873054 KVDVDOJWBOXEDH-KRWDZBQOSA-N 439.497 1.332 0 40 IDAB Cc1ccccc1-c1noc(CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)n1 12983408 NUQCVUJNDPVEMU-NRFANRHFSA-N 430.428 1.988 0 40 IDAB CN1C(=O)N(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C(=O)C1(C)C 13062793 PDNXYHLFXQVKEA-UHFFFAOYSA-N 449.360 1.930 0 40 IDAB C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 13110087 ZBHLKOSAFNGZQD-GFCCVEGCSA-N 438.535 1.148 0 40 IDAB Cn1c(=O)n(CC(=O)NCCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 13609164 SUNFCXMFPZVDEJ-UHFFFAOYSA-N 427.526 1.972 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O[C@@H](C)C(=O)N2CCOCC2)cc1 14167695 DCFHHEPVRAMMQU-FUHWJXTLSA-N 426.535 1.479 0 40 IDAB C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1)c1ccccc1 19459041 HNWKTKJHVIIWMP-HOCLYGCPSA-N 430.530 1.207 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)NCc3ccncc3)CC1)CNC2=O 19562815 RIRKBNDRGNLEQR-QHCPKHFHSA-N 438.484 1.280 0 40 IDAB COCCNC(=O)CN1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)C3)C1 19744471 PTWFTOBYYVXXRJ-LJQANCHMSA-N 437.544 1.816 0 40 IDAB Cc1c(C(=O)N2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)cnn1C 19759802 VCLMIELXUHAHEK-QFIPXVFZSA-N 449.511 1.963 0 40 IDAB Cc1nc([C@@H]2CCCN(CC(=O)Nc3nccs3)C2)ncc1C(=O)N1CCOCC1 19764001 NYRMYJWFYDDZDB-OAHLLOKOSA-N 430.534 1.532 0 40 IDAB CC(C)C(=O)NCCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 22134454 DBUYNRQVRIAPRE-UHFFFAOYSA-N 427.431 1.248 0 40 IDAB O=C(CN1CCN(Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)CC1)N1CCOCC1 22793242 ZUDQOSHOCHZTBW-UHFFFAOYSA-N 443.529 1.221 0 40 IDAB Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c(N3CCN(C(=O)C4CC4)CC3)ccnc21 23108487 MJVBSLIDVLWYRB-UHFFFAOYSA-N 437.475 1.341 0 40 IDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 28846195 MHMSHPKXYIJDIF-AWEZNQCLSA-N 445.497 1.435 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 29182261 ZEKOVHDQZWGQLN-HZPDHXFCSA-N 434.562 1.587 0 40 IDAB C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(S(C)(=O)=O)cc1 44857176 UFZJADVORDVSEZ-FZKQIMNGSA-N 438.527 1.495 0 40 IDAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 44900948 CKIHLGZHFQZVMR-MRXNPFEDSA-N 428.986 1.815 0 40 IDAB O=C(Cn1nc2ccc(S(=O)(=O)C3CCCCC3)nn2c1=O)Nc1cccc(F)c1 49421663 DLNKTSCINNIRLU-UHFFFAOYSA-N 433.465 1.775 0 40 IDAB COCCCNC(=O)Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O 57504197 GELZLWLXBMFRFC-UHFFFAOYSA-N 426.408 1.505 0 40 IDAB CC(C)(C)c1cc(C(=O)N2CCC[C@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)[nH]n1 57730175 FDKOFSXKGOIASK-LBPRGKRZSA-N 431.522 1.568 0 40 IDAB CO[C@H]1CCC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)C1 72399124 ALVCSOCHWHWKOT-BZSNNMDCSA-N 442.560 1.976 0 40 IDAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(CC(N)=O)C(C)(C)C 79075125 SZQOOOFDLGAUOG-UHFFFAOYSA-N 436.553 1.845 0 40 IDAB CC(C)n1cnc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c1 89894074 AKKCDUPPYPZTGL-UHFFFAOYSA-N 428.521 1.917 0 40 IDAB CCc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(C)c2)C3=O)cc1 98213170 NMLAAVGISYVLCD-UHFFFAOYSA-N 433.512 1.888 0 40 IDAB COc1ccc(-c2noc(CNC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)n2)cc1 224025941 RNZHNRHCZIMWBW-UHFFFAOYSA-N 448.476 1.962 0 40 IDAB Cc1cc(C)cc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 224461936 AXRPKXSAKCQUOE-UHFFFAOYSA-N 448.541 1.898 0 40 IDAB O=C1CCCN1CCCOc1ccc(CNC[C@@]2(O)CCCN(c3ncccn3)C2)cc1 257228379 FTOURYDLFZORCM-DEOSSOPVSA-N 439.560 1.989 0 40 IDAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)CN2CCN(CCO)CC2)n1 257241507 HYGVRMIBFGWUEP-HXUWFJFHSA-N 426.565 1.664 0 40 IDAB CC1(C)[C@]2(C(=O)N3CCN(C(=O)[C@@]45CC[C@@](C)(C(=O)O4)C5(C)C)CC3)CC[C@@]1(C)C(=O)O2 1099056 LHLRTIIKMVJLPU-CJRSTVEYSA-N 446.544 1.901 0 40 IDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OCc1ccccc1 5957691 UIESYHDNHVGZRB-IAGOWNOFSA-N 435.525 1.249 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O 8861039 QMHXFFHQCFHHNJ-AVRDEDQJSA-N 441.509 1.674 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccccc1 8983315 HEDJKJUNADMYNT-UHFFFAOYSA-N 435.933 1.993 0 40 IDAB COc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)cnc32)cc1OC 9517848 VSBCYPQZQLUKSK-UHFFFAOYSA-N 442.382 1.911 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1 9862353 MIFWIPVSOPMBQG-UHFFFAOYSA-N 432.550 1.539 0 40 IDAB COc1ccc([C@@H]2C[C@H](C(=O)Nc3ccc([C@H](C)O)cc3)N(C)S(=O)(=O)N2)cc1OC 12159785 TZVIMFCQMBPTQG-DOPJRALCSA-N 449.529 1.975 0 40 IDAB CC(C)c1nc(C2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c2cccnc2n1 12220502 AAITWOBMRMWZSF-HNNXBMFYSA-N 438.575 1.845 0 40 IDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O 12516957 FEYOJZLQSVQKAN-HTAPYJJXSA-N 443.504 1.018 0 40 IDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 13113034 DAHVWHZJGJZTKI-UHFFFAOYSA-N 425.411 1.614 0 40 IDAB O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)OC[C@@H]1CCCO1 13265710 DZGAFQCKEVKVMJ-INIZCTEOSA-N 425.489 1.511 0 40 IDAB Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3cccc(Cl)c3)cc21 13364637 IQCQBPFOGORPPE-UHFFFAOYSA-N 428.876 1.980 0 40 IDAB Cc1cc(C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c(C)n1Cc1ccc2c(c1)OCO2 13985746 MDTDLCUCSDHGGA-UHFFFAOYSA-N 439.424 1.158 0 40 IDAB C[C@@H](OC(=O)c1c(Cl)nc2sccn12)C(=O)Nc1cccc(S(N)(=O)=O)c1 15513909 ZLOVVMIRRSXSRD-MRVPVSSYSA-N 428.879 1.881 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](n2cnc3nc(S)[nH]c(=S)c32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 17428572 WDKGFQFLEBLBAV-ADGXKJENSA-N 442.475 1.101 0 40 IDAB COCCC(=O)N1CCN(S(=O)(=O)c2cnc(-c3cccnc3)nc2C(C)C)CC1 19451705 KEJYHYLGPWIDHZ-UHFFFAOYSA-N 433.534 1.531 0 40 IDAB CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2cccnc2N)C1 19702267 NCPCMZRMKQXFAR-ZDUSSCGKSA-N 425.514 1.968 0 40 IDAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)O)cc2)c1C 20343108 VRAPKAAOGHZCCU-UGUYLWEFSA-N 433.442 1.685 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)Cc1ccc3c(c1)OCCO3)C2=O 21745145 SNJXONFTGBPYCW-UHFFFAOYSA-N 431.445 1.075 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc(=O)n3c(C)cccc3n2)cc1 22977645 RCFNPAJZMXFOPZ-UHFFFAOYSA-N 443.481 1.569 0 40 IDAB COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1OC 23805898 SRSKQGXPWLGTJO-JOCHJYFZSA-N 426.425 1.897 0 40 IDAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)N[C@@H]1CCS(=O)(=O)C1 27937006 VCQOXIWLIRRCOO-MRVPVSSYSA-N 430.246 1.845 0 40 IDAB O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)Nc1ccc2c(c1)OCO2 32615454 AQSWLDGKAMJEAE-UHFFFAOYSA-N 431.408 1.321 0 40 IDAB O=C(c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCN(c2ccccn2)CC1 36708449 WUURZEVMNNJTCJ-MRXNPFEDSA-N 441.513 1.860 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)CC1 44005807 JCLBIVUAVGAQGI-UHFFFAOYSA-N 440.541 1.857 0 40 IDAB COc1ccc(-n2ncc(C(=O)NCc3cccnc3-n3cncn3)c2C(F)(F)F)nn1 48236123 ROOSMIOMXMBEEO-UHFFFAOYSA-N 445.365 1.595 0 40 IDAB CN(CC(=O)Nc1ccc(CC(N)=O)cc1)S(=O)(=O)c1ccc(Br)cc1 58948178 ZOGKNYRKVHXSTL-UHFFFAOYSA-N 440.319 1.736 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N2CCC(O)(c3cccnc3F)CC2)cc1 72340069 PNQLNOBKHCQRJT-UHFFFAOYSA-N 449.504 1.853 0 40 IDAB O=C(Cn1cc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2Cl)cn1)NC1CCCC1 79111355 NRWNROSQYUUVQE-QGZVFWFLSA-N 433.896 1.384 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)n1 79495586 RVZITQUVAGYNRA-UHFFFAOYSA-N 428.470 1.922 0 40 IDAB Cc1cnc2n(c1=O)C[C@@H](C(=O)Nc1nc3ccc(S(C)(=O)=O)cc3s1)CS2 90609579 BSPFGOFQAQOPEQ-SNVBAGLBSA-N 436.540 1.926 0 40 IDAB COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 96002236 QDJPMBVMCUILTI-CPUCHLNUSA-N 434.514 1.715 0 40 IDAB COCCN1CC2(CCN(S(=O)(=O)C3CC3)CC2)COc2ccccc2S1(=O)=O 96037187 RQNCIEWANHHYMZ-UHFFFAOYSA-N 444.575 1.291 0 40 IDAB CC(C)S(=O)(=O)N1CCN(C(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)CC1 96181593 PXXSTIVNVYULJK-UHFFFAOYSA-N 427.954 1.847 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCOCC1)Cc1ccccc1 223257861 FBCNIPJPWFFTGU-UHFFFAOYSA-N 431.558 1.597 0 40 IDAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(C(=O)Cc1c(C)nc(N)nc1C)C[C@H]2c1ccccc1 257238197 HJYMPJFCTXFKKD-GNXKAVGDSA-N 437.544 1.442 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2)c(OC)c1 575426266 PYDRDWOQSIQGOR-HZPDHXFCSA-N 442.515 1.074 0 40 IDAB CN1c2cc(F)c(NC(=O)CCS(=O)(=O)c3ccccc3)cc2N(C)S1(=O)=O 575612112 KQLLLGMNOWPXOT-UHFFFAOYSA-N 427.479 1.759 0 40 IDAB O=C(NCc1cc2c(cc1OC(F)F)OCO2)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 580228968 QWCUBBBPTSDUAI-GFCCVEGCSA-N 447.460 1.773 0 40 IDAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)cc1 618254961 IJIJLSJULJORFO-HNNXBMFYSA-N 428.470 1.336 0 40 IDAB Cc1ccc2cc(CN(CCN(C)C)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1 6409555 IFNZADPHWXZAEI-UHFFFAOYSA-N 445.633 1.797 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nc(-c3ccccc3)cn1N)C2=O 9464324 BXSVWTNIWZTDQQ-UHFFFAOYSA-N 428.518 1.888 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)CSc2nnc3n2CCCCC3)c(=O)[nH]c1=O 9533361 KYJIOFFAYQBLFD-UHFFFAOYSA-N 435.554 1.382 0 40 IDAB C[C@@H](Oc1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569897 ZIHJOENPSWMZOM-QGZVFWFLSA-N 435.521 1.861 0 40 IDAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)NC[C@H]1COc2ccccc2O1 9833909 JLHCTKSDBMBRRE-MAUKXSAKSA-N 434.452 1.587 0 40 IDAB CCCN(C(=O)COC(=O)Cc1csc(-c2ccccn2)n1)[C@H]1CCS(=O)(=O)C1 11252974 SCBXEWQZLMOXPD-HNNXBMFYSA-N 437.543 1.717 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C)cc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 12406448 QHNUAZWNAPSBQV-XDWAVFMPSA-N 437.445 1.030 0 40 IDAB biogenic C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 12859792 JIXKAFRSHMGOKM-HXUWFJFHSA-N 446.485 1.470 0 40 IDAB O=C(CSc1nnc2n(Cc3ccccc3)c3ccccc3n12)Nc1c[nH]c(=O)[nH]c1=O 13084027 SSLPRLNKKDPWCD-UHFFFAOYSA-N 447.480 1.840 0 40 IDAB CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccccc2F)cc1 13372061 JVYDCQIYCJZINB-PMACEKPBSA-N 441.546 1.996 0 40 IDAB CC(C)Cn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 13540106 PBCMMFKLYBDQPX-UHFFFAOYSA-N 428.512 1.551 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 16889834 XVGNADCCCZEHRJ-YMQHIKHWSA-N 438.429 1.457 0 40 IDAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1C 18135244 VKMCWHWYCNASPG-UHFFFAOYSA-N 428.514 1.982 0 40 IDAB O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C2CCCC2)CC1 19292032 YAGQAUIBQFIUHU-IBGZPJMESA-N 427.593 1.846 0 40 IDAB COCCC(=O)N1Cc2cn(C)nc2[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 19701284 MECLJWICOGWEBN-LJQANCHMSA-N 429.496 1.370 0 40 IDAB COc1ccc(CCNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1OC 20744275 LUGJSELAFGXHOK-UHFFFAOYSA-N 447.513 1.541 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 22087123 LTAUZDVBFJAPOM-OAQYLSRUSA-N 444.513 1.470 0 40 IDAB COc1ccc(OC)c(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)c1 22229322 QVIFEJDWEFBHKN-UHFFFAOYSA-N 449.529 1.688 0 40 IDAB COc1ccc([C@H](CNC(=O)CN2C(=O)COc3ccccc32)N2CCOCC2)cc1 23805954 AUJOSSNBWXCGOZ-FQEVSTJZSA-N 425.485 1.610 0 40 IDAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2cc3c(cc2Cl)OCCCO3)n(C)c1=O 32848518 URRDDIOJUUAYCE-UHFFFAOYSA-N 447.879 1.667 0 40 IDAB CCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4)c(=O)c3s2)C1 33141179 QTWSZEKOQZYXAX-CQSZACIVSA-N 440.529 1.844 0 40 IDAB COc1ccccc1N1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)CC1 38836254 SXFUAYZPWDNWBS-NRFANRHFSA-N 445.541 1.879 0 40 IDAB CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 58014682 VGGXHACUVIEFRO-GOEBONIOSA-N 432.539 1.262 0 40 IDAB CSc1nc(O)nc(C)c1C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 78984998 MTHURTOYSGYXKY-UHFFFAOYSA-N 436.559 1.976 0 40 IDAB CCc1cccc(C)c1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 83827671 VPGYPKMVVWHWBJ-INIZCTEOSA-N 429.564 1.224 0 40 IDAB CN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(S(=O)(=O)c1cccnc1)CC2 96143580 OMVSVZKPZPXHMV-VQTJNVASSA-N 441.557 1.220 0 40 IDAB O=C(C1CCCC1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 96251472 DPDMWJBLZUAQEU-CVDCTZTESA-N 427.549 1.571 0 40 IDAB COc1cc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc(OC)c1 101174296 YRIQNYYRZFVXLA-QZTJIDSGSA-N 427.392 1.775 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C 102606944 IPAHLLWFONFBNZ-AJNGGQMLSA-N 430.457 1.872 0 40 IDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(N3CCN(C)CC3)cc1)O2 113952886 VHKNZCIZCKFISI-NRFANRHFSA-N 444.557 1.913 0 40 IDAB COc1cccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)c1 219268961 RCZFKQZNSSRFJD-OAHLLOKOSA-N 437.522 1.222 0 40 IDAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 223672104 IQJWGBCJRRFOPJ-UHFFFAOYSA-N 429.472 1.695 0 40 IDAB CC(C)CCNC(=O)c1nnc2n1CC1(CCN(C(=O)c3ccn(C)n3)CC1)COC2 306125622 CWBJLGNWJMUTJI-UHFFFAOYSA-N 429.525 1.240 0 40 IDAB COC(=O)CN1C(=O)N/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O 408548875 MOVNQXWAQHUSQO-MHWRWJLKSA-N 427.388 1.909 0 40 IDAB COc1ncc(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4ncc(C)cn4)C3)C2)cc1C 585102326 ZPGUCKPFCGAFEU-GCJKJVERSA-N 427.505 1.173 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)C12CN(C(=O)N1CCOCC1)C2 1549168336 VCMJSQPQISKWDF-HXUWFJFHSA-N 440.544 1.763 0 40 IDAB CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)CC1 1911936314 PMKVKOLFYHLKAP-MRXNPFEDSA-N 442.472 1.145 0 40 IDAB Cn1c(=O)n(C)c2cc(CCC(=O)NC[C@@]3(O)CCCN(c4ccc(F)cn4)C3)ccc21 2037880157 JRSMONFTMJSBIR-QHCPKHFHSA-N 441.507 1.491 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)CC1 2087151706 MPDAYXNOLOKHQH-GDBMZVCRSA-N 446.495 1.809 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)CC1 2087151707 MPDAYXNOLOKHQH-GOEBONIOSA-N 446.495 1.809 0 40 IDAB Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1 2134553 JESAKGFQNKXLOS-HLWREBGISA-N 434.489 1.835 0 40 IDAB biogenic COc1ccc(-n2c(O)c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c(=O)[nH]c2=O)cc1 2145022 LZEPRXPUFTYHSP-MRXNPFEDSA-N 426.381 1.517 0 40 IDAB biogenic CC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3289616 UKDHZXYDKCJRTA-UHFFFAOYSA-N 425.507 1.642 0 40 IDAB O=C(CCC(=O)N1CCc2ccccc2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 3414550 ODLBDKOKEDBIMY-UHFFFAOYSA-N 441.553 1.885 0 40 IDAB Cc1nn(Cc2nc(N)nc(Nc3ccccc3)n2)c(C)c1S(=O)(=O)N1CCOCC1 9338586 JEZCNASHUOIZQU-UHFFFAOYSA-N 444.521 1.080 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)CC1 9446449 GZDXBZKMFFFAEH-INIZCTEOSA-N 442.497 1.178 0 40 IDAB COc1cccc(CCNS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 11978058 RBWUKYGREBAMDP-CQSZACIVSA-N 438.527 1.529 0 40 IDAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2)C[C@@H](C)O1 12139980 GTXJDDQTAFJMIO-CHWSQXEVSA-N 443.481 1.620 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1cc(Cl)ccc1Cl 12444940 OUEMSWHHBWPUSH-UHFFFAOYSA-N 444.344 1.665 0 40 IDAB CCC(=O)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 12922371 POJBAUWWLJLABF-GFCCVEGCSA-N 432.340 1.197 0 40 IDAB COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@H](c1ccccn1)N(C)[C@@H]2c1ccccn1 12952544 NXOACBKUEYYEQP-BRNYJPRKSA-N 438.484 1.038 0 40 IDAB Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2)cc1 13688095 CEVOSYZYPKOCBS-UHYCVJNDSA-N 442.603 1.773 0 40 IDAB Cc1ccc2c(c1)[C@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15959800 ZELGVVJNMXXSOY-MASGSYHESA-N 446.507 1.224 0 40 IDAB biogenic CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CCO1 19697781 MJUKELTXEDEATQ-AWEZNQCLSA-N 444.513 1.491 0 40 IDAB CCN(CC)S(=O)(=O)N1CCC(Cc2nn(C)cc2C(=O)NC2CCCC2)CC1 19756576 WQTCPOPAHILQQG-UHFFFAOYSA-N 425.599 1.934 0 40 IDAB C[C@@H]1CCN(C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)c2ccccc2S1 22226209 YFIJMEKUUKAPTD-GOSISDBHSA-N 432.590 1.380 0 40 IDAB CN1CCN(CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 22829455 CKWYUAHHGURYPV-UHFFFAOYSA-N 448.564 1.775 0 40 IDAB CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCCC(=O)N1CCCC1 32716744 YMUGSKIZFYOMLA-QIPHDZALSA-N 439.603 1.827 0 40 IDAB CN(C)C(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c2ccccc2O1 32810567 NMQOFRNAIHKMME-IBGZPJMESA-N 429.498 1.505 0 40 IDAB COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(C)cc2)N1C 35442560 OZBUNSUIKHJBKP-NXYDZRKXSA-N 442.604 1.786 0 40 IDAB biogenic,in-vitro COc1ccc(-n2ncc(C(=O)NCc3ccc(-n4cncn4)nc3)c2C(F)(F)F)nn1 58112677 KXOMUHZAZAQXAQ-UHFFFAOYSA-N 445.365 1.595 0 40 IDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)NCC(=O)Nc1cc(C)ccc1OC 58173653 IKNJKPQTXMIIBZ-UHFFFAOYSA-N 434.518 1.491 0 40 IDAB COc1cccc(C(=O)NCCNC(=O)NCCCS(=O)(=O)Cc2ccccc2)c1 72261190 DAEXQDZYTZQZMQ-UHFFFAOYSA-N 433.530 1.729 0 40 IDAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)c2cccc(C)n2)CC3)C1=O 96036600 JUWPBZPMAOJZLL-QHCPKHFHSA-N 427.549 1.848 0 40 IDAB C[C@H](C(=O)N1CCN2CCC[C@H]2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 253374363 MBHQASNICXGLMX-SAHWJRBASA-N 426.517 1.213 0 40 IDAB CCc1nn(C)c(CC)c1CNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 533683172 HHTAOQRQDXVNTC-HXUWFJFHSA-N 438.532 1.711 0 40 IDAB O=C([C@H]1C[C@@H](NCc2ccc(F)cc2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O)N1CCOCC1 2332241766 DPTHDEZEBNUBII-UYWIDEMCSA-N 428.508 1.908 0 40 IDAB CCN(CC)CCNC(=O)CCCCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O 8680401 BSIUGAYBALUZTD-UHFFFAOYSA-N 432.521 1.495 0 40 IDAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O 8862311 BCFKTWLHTQQKIU-UHFFFAOYSA-N 430.468 1.399 0 40 IDAB COc1ccccc1CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 9039902 SKZMSDVSJKCYHT-UHFFFAOYSA-N 436.472 1.059 0 40 IDAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC[C@H]1CCCO1 9453065 JMWOZEJYHSBJPU-CEQIKUNHSA-N 445.516 1.247 0 40 IDAB COc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 9570238 QNGIXOHTYJCVEI-UHFFFAOYSA-N 433.530 1.342 0 40 IDAB CC(=O)N[C@H](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 9612537 DCYFNHQDVURIQY-HXUWFJFHSA-N 431.514 1.914 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1cccnc1 9715291 FWIMLZHTXZXJGA-INIZCTEOSA-N 436.559 1.509 0 40 IDAB CCCN(C(=O)c1nc2nc(C)cc(C)n2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9961356 QVHKNQIPYZMFMP-UHFFFAOYSA-N 448.487 1.278 0 40 IDAB CCOc1ccc([C@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(C)C)cc1OCC 14679444 AFONPVHQQJZPFG-GOSISDBHSA-N 439.534 1.557 0 40 IDAB Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 14900786 XNGCCGQZMSHDOG-UHFFFAOYSA-N 447.542 1.136 0 40 IDAB C[C@H]1CN(CC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)C[C@H](C)O1 19497440 XIMKJQQUVBUZAU-XVIDLNRXSA-N 437.487 1.275 0 40 IDAB Cn1cc(C(=O)N2CCOCC2)c(CC2CCN(C(=O)COc3ccccc3)CC2)n1 19758553 FFPWFKLPMWBLMX-UHFFFAOYSA-N 426.517 1.753 0 40 IDAB O=C(Nc1ccccc1C(=O)N1CCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 21598006 JUCPKJKOXMYUGJ-CQSZACIVSA-N 432.502 1.027 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 25163868 AILFAKQEINLGNU-UHFFFAOYSA-N 447.513 1.336 0 40 IDAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)N1CCOCC1 25748762 QKSYEPLBPOQFND-MRXNPFEDSA-N 447.598 1.453 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3F)CC2)C[C@@H](C)O1 26193061 PZGJPQWJNSCNRW-IYBDPMFKSA-N 428.530 1.126 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)NCCOc3cc(N4CCOCC4)ncn3)CC2=O)cc1C 35598376 VSXCPYYFKYDNCZ-SFHVURJKSA-N 439.516 1.478 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)C(C)C)c1 72272929 XQWKUYPBRVWAEF-UTKZUKDTSA-N 434.581 1.458 0 40 IDAB Cc1nn(C)c(=O)c(C(=O)N2CSC[C@H]2C(=O)NCCSCc2ccccc2)c1C 72296581 CYWXVBLPUUYIKE-KRWDZBQOSA-N 446.598 1.962 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 101452021 XNXNWJFYULHZJU-HULNYRCFSA-N 447.491 1.589 0 40 IDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCCN4CCCC4)cc3)C2)ncn1 257296061 RBBNIASKPBUOCY-XMMPIXPASA-N 439.560 1.973 0 40 IDAB CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1OC 575426428 SVKWYALZQVDVTC-INIZCTEOSA-N 448.607 1.614 0 40 IDAB Cn1nccc1-c1cncc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 575616762 PBALOXRWOWVWHQ-UHFFFAOYSA-N 425.470 1.614 0 40 IDAB O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCC[C@@H](N2CCCC2)C1 593830456 JDPIULIOONVXQL-GFCCVEGCSA-N 436.397 1.876 0 40 IDAB CC(=O)N1CCN(C(=O)C2CCC2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)C1 643913385 UUHZIPLCLRBUOP-YPAWHYETSA-N 442.597 1.427 0 40 IDAB Cn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cc(F)ccc5F)C[C@H]4C3)ncnc21 1888930350 SBOGSVPZKBDSJL-OKILXGFUSA-N 434.472 1.540 0 40 IDAB CC(=O)N1CCC(N[C@@H]2C[C@H](C(=O)N3CCCC3)[C@@H](O)[C@H]2c2cnc(C3CC3)[nH]2)CC1 2332241869 WPXPWXYLYMXWAF-UYWIDEMCSA-N 429.565 1.343 0 40 IDAB O=C([C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCOCCOCCOCC1 859442 CFGJWTJLHBJPQJ-NRFANRHFSA-N 438.480 1.916 0 40 IDAB CC[C@@H](C)N(C(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 6053601 SBDYEUCTCHYIES-UVMHCMFPSA-N 425.503 1.771 0 40 IDAB C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(-n2cncn2)cc1 8708075 CTJGWPDFNZBXQR-KRWDZBQOSA-N 430.468 1.516 0 40 IDAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 8965798 AMYJBSFLTKBQMY-UHFFFAOYSA-N 438.513 1.298 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)NCc1ccc2c(c1)OCO2 9001119 DMOQBSZZCAJSQA-UHFFFAOYSA-N 445.435 1.047 0 40 IDAB Cc1cc(O)nc(SCC(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)n1 9143542 NWXDJOPPYDPQHX-UHFFFAOYSA-N 437.547 1.303 0 40 IDAB COc1ccc(CNC(=O)[C@H]2C[C@@H](c3ccc(OC)c(OC)c3)NS(=O)(=O)N2C)cc1 12129902 REJIJRTYNRFJNO-ZWKOTPCHSA-N 449.529 1.608 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1=O 13069925 CMVDLZXZDWTOHZ-DYESRHJHSA-N 435.546 1.515 0 40 IDAB O=C(NCc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 17124825 AIRFJFPLQHKGPF-UHFFFAOYSA-N 435.477 1.813 0 40 IDAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc2c(c1)OCO2 17320694 UAABYFLIJYXOMO-UHFFFAOYSA-N 432.498 1.685 0 40 IDAB O=C1N[C@]2(CCc3ccccc31)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C[C@H]2CO 19375520 KCDRXGOJYKZIGD-KSFYIVLOSA-N 444.509 1.186 0 40 IDAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)CN3CCCC3=O)nc(N(C)C)c2C1 19710253 CTZRMLRMLXOZRC-GOSISDBHSA-N 428.537 1.123 0 40 IDAB Cc1cnc2c(C(=O)N[C@H]3CCc4ccc(S(=O)(=O)N5CCOCC5)cc43)cnn2c1 19749512 IZICVXSIVBASDS-IBGZPJMESA-N 441.513 1.476 0 40 IDAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)N1CCOCC1 20081193 CWBXQFORAHYXJK-IBGZPJMESA-N 440.504 1.853 0 40 IDAB CN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)[nH]c(=O)n(I)c1=O 20611860 YWQHYPHUSFBFLL-ZDUSSCGKSA-N 438.225 1.499 0 40 IDAB biogenic CCN1CCN(c2nc3ncn(CC(=O)NCc4ccccc4Cl)c(=O)c3s2)CC1 21886468 UDRYLNKYZQQYSF-UHFFFAOYSA-N 446.964 1.965 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1F 22519901 OKWXGHPYCDUHQG-UHFFFAOYSA-N 438.500 1.926 0 40 IDAB CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 32850819 JGYIHUOTRYEDKM-RTBURBONSA-N 436.555 1.572 0 40 IDAB O=C(OCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc(Cn2cccn2)o1 32913711 FWYIJUYXUVAQIX-UHFFFAOYSA-N 428.470 1.727 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2)C1=O)[C@H]1CCS(=O)(=O)C1 33544011 WLPGKGMUPYCTLI-KNGSKEOJSA-N 438.527 1.767 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1 40142358 LLNYKGYXOYOOOF-UHFFFAOYSA-N 430.480 1.041 0 40 IDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)n1 48313835 MIOQXXVEFZGAOS-ZDUSSCGKSA-N 426.564 1.648 0 40 IDAB COc1ccc(CNC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1OC 67320420 LYFRUVRELGMQNK-UHFFFAOYSA-N 427.432 1.780 0 40 IDAB COc1cccc(NC(=O)COc2ccc(C(=O)N3CC[C@H](OCC(N)=O)C3)cc2)c1 72312703 WXYPUDIJWPBKAF-IBGZPJMESA-N 427.457 1.429 0 40 IDAB C[C@H](CCc1ccco1)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326226 UDSWBOFLYZHAHB-QRQCRPRQSA-N 425.489 1.676 0 40 IDAB COc1cccc(CNC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 72326338 SWPJKAFHPFTYSH-NPMXOYFQSA-N 437.500 1.659 0 40 IDAB COCCN(Cc1ccncc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 77200815 SDQAMCWBBKXTPH-UHFFFAOYSA-N 439.559 1.849 0 40 IDAB CN1CCN(Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccncc3)cn12 96156661 KTMHWRRXDIGKPL-OAQYLSRUSA-N 442.527 1.938 0 40 IDAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 223540838 PNDUCBXRVZOLFU-INIZCTEOSA-N 443.525 1.775 0 40 IDAB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 248085243 WGOVXUXNBJKRQU-ZMPRRUGASA-N 448.541 1.437 0 40 IDAB Cc1cc(OC(C)(C)C(=O)N2CC[C@@H](O)[C@@H](O)[C@H](N3CCOCC3)C2)ccc1Cl 257261992 LJOQSIPUQXNTRX-QRVBRYPASA-N 426.941 1.461 0 40 IDAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 257270824 MVUJCTQXMREYDC-FPOVZHCZSA-N 437.562 1.416 0 40 IDAB O=C(c1cc[nH]n1)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 257276173 NSPXQISDFMDVMZ-OAHLLOKOSA-N 427.486 1.706 0 40 IDAB CC[C@H](C)N(CC(=O)CN([C@H](C)CC)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 575420647 DDZNBEBCVUINIO-XMTFNYHQSA-N 436.640 1.131 0 40 IDAB O=C1[C@@H]2C3C=CC([C@H]2C(=O)N1c1ccc(O)cc1)[C@H]1C(=O)N(c2ccc(O)cc2)C(=O)[C@H]31 8397322 NLZXLQPOFRCKRZ-CVUDOADXSA-N 430.416 1.825 0 40 IDAB CCCCOc1ccc(C(=O)NCC(=O)N2CCC3(CC2)NCCc2[nH]cnc23)cc1 8791916 COJLTGYVEHCVAI-UHFFFAOYSA-N 425.533 1.982 0 40 IDAB biogenic COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(C(C)=O)cc2)c(=O)c3=O)cc1 8849198 TTXYMEVZOMOCMX-UHFFFAOYSA-N 435.440 1.407 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2nc(N)nc(N)n2)ccc1C 8922470 RNLBDNIUGVRLHC-NSHDSACASA-N 439.567 1.494 0 40 IDAB CCN(CC(=O)NCc1cccs1)C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 9113963 OACLPNFBQIQEMQ-UHFFFAOYSA-N 444.435 1.192 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1=NN(c2ccccc2)C(=O)CC1 9544581 YJDHMENHAWHZMH-UHFFFAOYSA-N 442.497 1.829 0 40 IDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9960910 WWFHHWDHLJGBJP-UHFFFAOYSA-N 446.916 1.583 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(C)ccc2OC)n(C)c1=O 10102734 LTURNBGZDCRJSB-AWEZNQCLSA-N 441.488 1.565 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccc(Nc3ccccn3)nn2)cc1 11697431 ANCHHFUKKGSSQO-UHFFFAOYSA-N 427.490 1.964 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)N1CCN(C(=O)N[C@H](C(=O)OC)[C@H](C)CC)CC1)C(=O)OC 13575971 GCNHBHXKPVRWGP-WCVJEAGWSA-N 428.530 1.199 0 40 IDAB COCCNC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3 13623437 QFRXEHHRTCGIRT-UHFFFAOYSA-N 427.526 1.914 0 40 IDAB COc1ccccc1S(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C(N)=O)cc1 14119175 TZGYAENWXPWFKE-HNNXBMFYSA-N 437.543 1.833 0 40 IDAB COCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(OCc4ccccc4)cc3)nnc12 16838094 ZIHXAHBWDATRPK-UHFFFAOYSA-N 446.467 1.963 0 40 IDAB COc1cccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)cnc32)c1 16960697 KCHDNVQRFVKHKW-UHFFFAOYSA-N 434.412 1.396 0 40 IDAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cn1nc(O)c2ccccc2c1=O 17974791 FXCNCGSTLVNXJQ-UHFFFAOYSA-N 430.848 1.861 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC1)O2 19218995 AEQDPZQDCBBPKE-HKARXFIJSA-N 429.517 1.552 0 40 IDAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(=O)[nH]c1)CC1(CCOCC1)O2 19219335 WAUGMPAOECAASQ-CRAIPNDOSA-N 425.485 1.991 0 40 IDAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@@H](C)Cn3ccc(C)n3)[nH]c2=O)C1 19499096 DTXAHYWDLINNFQ-HNAYVOBHSA-N 440.548 1.959 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c2=O)C1 19572892 YDICNNBSRTZFSW-GOSISDBHSA-N 448.520 1.523 0 40 IDAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1 19575420 VCKGURVXBINQEV-NVXWUHKLSA-N 436.574 1.955 0 40 IDAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCN1C(=O)c3ccccc3C1=O)C2=O 21868849 VVLIJCRJZPBREI-MCMMXHMISA-N 427.457 1.920 0 40 IDAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 24891973 XVTFJJIQFXEJBM-UHFFFAOYSA-N 428.470 1.946 0 40 IDAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 29363307 VBCNOKUBNRNHOX-OALUTQOASA-N 447.557 1.498 0 40 IDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1Cl)C(=O)NCCN1CCOCC1 32927486 WVWUOKQMPZTTTC-CRAIPNDOSA-N 431.986 1.790 0 40 IDAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 36408666 JVCFOTLYRLWUKM-QZTJIDSGSA-N 437.562 1.183 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 79092399 FVGQIQWVILZBNR-INIZCTEOSA-N 426.539 1.474 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@]3(CCc4cc(Cl)ccc43)C2=O)CC1 95430256 BUTBGURMWWWJAO-FQEVSTJZSA-N 434.880 1.334 0 40 IDAB COc1cccc(C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)C[C@@]32CCN(C)C2=O)c1 96144060 GJWCNWYFKUOACW-OAQYLSRUSA-N 435.546 1.041 0 40 IDAB CS(=O)(=O)N1CCC[C@H](c2nc(C(=O)NCCN3CCCCC3)c3ccccn23)C1 306128830 HLYINBUMIKPYOF-KRWDZBQOSA-N 433.578 1.689 0 40 IDAB CN1C[C@@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)c3ccn(C)n3)CC2)C1 306134340 NJXXLXAZHTUAMD-IBGZPJMESA-N 429.496 1.181 0 40 IDAB Cc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 408616533 ZJAUKGOMXMLKBF-SJORKVTESA-N 425.485 1.862 0 40 IDAB COCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)ccc1C 408616669 AODHAPSBOVKIHH-UHFFFAOYSA-N 447.557 1.891 0 40 IDAB Cc1c(C(=O)NC[C@H]2CCN(C)C2)sc2ncc(C(=O)NC[C@H]3CCN(C)C3)cc12 522832417 KIFVFILRRPAQJH-HZPDHXFCSA-N 429.590 1.968 0 40 IDAB COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524731487 ZPTTXZGJLXZIBW-MRXNPFEDSA-N 446.456 1.029 0 40 IDAB biogenic Cc1ccc(C(=O)O)cc1S(=O)(=O)N(c1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O 575426456 TZASZWOGXUUCNB-HZPDHXFCSA-N 425.484 1.046 0 40 IDAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 681501183 NVJGCOMRBPLZCX-HOCLYGCPSA-N 425.555 1.927 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)CCc5ccccc5)C[C@@H]4C3)nn12 1888930688 NKQHHNSNHBORPH-ROUUACIJSA-N 426.546 1.627 0 40 IDAB Cn1cc(N2CCC(NS(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(=O)n(C)c1=O 1889149257 IRGDQGZZXYKKDZ-UHFFFAOYSA-N 446.451 1.050 0 40 IDAB Cc1ccsc1CN(C)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8855624 UAIATJOHZWJSRR-UHFFFAOYSA-N 427.530 1.632 0 40 IDAB COCCNc1nc(SC)nc2c1cnn2CCNC(=O)COc1ccc(F)cc1 8943864 NKUODVVKKUFGCW-UHFFFAOYSA-N 434.497 1.941 0 40 IDAB CCCCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O 9119792 IFZLGVVBHZJAAU-UHFFFAOYSA-N 440.504 1.845 0 40 IDAB COc1ccccc1N1CCN(C(=O)Cn2nc(C(=O)N3CCOCC3)cc2C)CC1 11927529 RDAMKUXPZGTDIS-UHFFFAOYSA-N 427.505 1.021 0 40 IDAB O=C(O)c1ccc(OCCNS(=O)(=O)c2ccc3c4c2CCCN4C(=O)CO3)cc1 12429051 NDZDGACJLZSQQT-UHFFFAOYSA-N 432.454 1.414 0 40 IDAB COc1ccc(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 12792084 CKMPHPPQZJIYET-UHFFFAOYSA-N 429.546 1.396 0 40 IDAB O=c1[nH]c(=O)n(C2CC2)c2nc(C3CC3)nc(SCc3cc(=O)n4ccccc4n3)c12 12878846 FGCYGJYDWUBNGK-UHFFFAOYSA-N 434.481 1.992 0 40 IDAB CC[C@@H](C)N(C(=O)CSc1nnnn1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 15227037 OQFIJYBEQYFDFG-KGLIPLIRSA-N 439.563 1.577 0 40 IDAB Cc1ccc(N(Cc2nnc(SCC(=O)N3CCOCC3)n2C)S(C)(=O)=O)cc1 19925860 YYXSUHMICHFTNZ-UHFFFAOYSA-N 439.563 1.041 0 40 IDAB COC[C@H]1CCCN1[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1 20465285 NYZLWUBNXZPBIS-DFBDCSAJSA-N 432.439 1.035 0 40 IDAB biogenic,in-vitro COc1ccc(OC)c(-n2c(=O)[nH]c(O)c([C@@H]3NCCc4c3[nH]c3ccccc43)c2=O)c1 20611695 CCYQHEZAHSACIC-FQEVSTJZSA-N 434.452 1.965 0 40 IDAB biogenic C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(Cl)c1 22357419 PCSYJHPJXBMLFY-SMDDNHRTSA-N 441.893 1.376 0 40 IDAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 22795872 WQTIICJUYYNCMS-FQEVSTJZSA-N 428.508 1.555 0 40 IDAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23149179 WVDGXOVBODVEDZ-INIZCTEOSA-N 432.502 1.027 0 40 IDAB CC(C)(C)NC(=O)COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 40123154 OVSZZDAEXLDJHD-CYBMUJFWSA-N 440.547 1.692 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCS2(=O)=O)c1 40286525 LVQZNTKFSDVMLO-MRXNPFEDSA-N 438.550 1.164 0 40 IDAB CN1CCN(S(=O)(=O)CC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC1 58420961 RHLNOSPPWWLTLG-GOSISDBHSA-N 428.986 1.170 0 40 IDAB COc1ccc2nc(N3CC(C(=O)NCc4ccc(S(N)(=O)=O)cc4)C3)sc2c1 62023130 ZROLDOAULXRUOC-UHFFFAOYSA-N 432.527 1.705 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(Cc4nc5ccccc5[nH]4)CC3)ccc21 89954554 ZISGLMWAFCCOGA-UHFFFAOYSA-N 439.541 1.978 0 40 IDAB COC(=O)c1cnc(N[C@@H](C)c2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCOCC2)c1 95356481 DFSXZWTXQNXPGR-ZDUSSCGKSA-N 449.485 1.791 0 40 IDAB Nc1c(S(=O)(=O)O)cc2c3c(cc(S(=O)(=O)O)cc13)C(=O)N(c1ccccn1)C2=O 95471062 ZNIOEZCVZGOLPO-UHFFFAOYSA-N 449.422 1.111 0 40 IDAB CN(C)CC(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCOCC1)CC3 100234233 SJQNCEIQYUKNBQ-IBGZPJMESA-N 428.537 1.197 0 40 IDAB O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101575453 LTJJAKOVNBBMIM-NLFAJIGBSA-N 439.556 1.632 0 40 IDAB Cc1nc2ccccc2n1CCC(=O)N[C@H]1CCC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257242896 IEQIROCXSDCKHY-KNBMTAEXSA-N 434.504 1.728 0 40 IDAB CC(=O)N1CCN(C[C@]2(O)CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)CC1 257286815 PNDWHQLWBLEAMT-LJQANCHMSA-N 428.455 1.245 0 40 IDAB COc1ccc(OC)c(-c2cc(C(=O)NC3CCN([C@H]4CCS(=O)(=O)C4)CC3)n[nH]2)c1 390830022 IFEXMJLOBXROQX-HNNXBMFYSA-N 448.545 1.475 0 40 IDAB O=C(NCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408592170 KJNOUXPEEHNAFK-HXUWFJFHSA-N 431.558 1.689 0 40 IDAB C[C@@H](C(=O)NCCN1CCCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704881 VBQYROPGFAYKBK-INIZCTEOSA-N 425.551 1.605 0 40 IDAB O=C1OC[C@@H](COc2cc(OC[C@@H]3COC(=O)O3)cc(OC[C@@H]3COC(=O)O3)c2)O1 627276288 ZXBFDLXRUFWDLP-RBSFLKMASA-N 426.330 1.429 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@H](CCC(=O)O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 2130497 FKWBHSUGFQMCEU-BKJGLDIHSA-N 433.464 1.780 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCC2=CCCCC2)cc1 3016063 UFJUCVRGBUJHNR-HXUWFJFHSA-N 449.573 1.855 0 40 IDAB Cc1cc(NC(=O)COn2nnc3ccc(S(C)(=O)=O)cc32)ccc1Br 3397331 CJRYZPQHBJYUOP-UHFFFAOYSA-N 439.291 1.973 0 40 IDAB O=C1NC(=O)[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCCCC2)N1 4035265 XWSWDEORCUWFLL-KRWDZBQOSA-N 430.505 1.968 0 40 IDAB CC(C)(C)OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 6002583 HZXWVCLHZLFBCA-JKSUJKDBSA-N 435.521 1.824 0 40 IDAB Cn1cnc2c1c(=O)n(CCCSc1ncnc3c1cnn3-c1ccccc1)c(=O)n2C 9115801 HYDLPBKKCABCQQ-UHFFFAOYSA-N 448.512 1.745 0 40 IDAB COc1ccc(CCNC(=O)[C@H](C)NC(=O)N2CC(=O)Nc3ccccc32)cc1OC 9302861 RVPDRYBYQMXAJZ-AWEZNQCLSA-N 426.473 1.919 0 40 IDAB C[C@]1(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)Cc2ccccc2C(=O)O1 9492809 HQJLMIMWDTYDOR-OAQYLSRUSA-N 430.482 1.818 0 40 IDAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1cccc(NC(C)=O)c1)c(=O)n2C 9571753 RGPPBZMWMJQION-UHFFFAOYSA-N 439.472 1.653 0 40 IDAB COc1cccc(N2C[C@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[nH]3)CCC4)CC2=O)c1 9822623 FQLKIAKKHWKZML-CQSZACIVSA-N 448.483 1.753 0 40 IDAB CS(=O)(=O)c1ccc(CC(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)o2)cc1 10381657 OPQJDBVVIJLBCK-UHFFFAOYSA-N 435.483 1.628 0 40 IDAB O=C(COC(=O)c1ccco1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 10669347 FQKIMERAVISNBO-UHFFFAOYSA-N 428.850 1.749 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)N1CCN(C(=O)C2CC2)CC1 12891955 CDYLWMFAGLFKAX-MBVDDHJVSA-N 440.953 1.299 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c(=O)[nH]c1=O 12896814 AGIFEZZZUXAOSV-RBZFPXEDSA-N 437.566 1.362 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2nc(Cl)ccc2Cl)cc1 13149673 WJYNDCSVIVIBHX-UHFFFAOYSA-N 432.285 1.552 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1OC 13848523 CHGYNBUBTDEPRI-UHFFFAOYSA-N 444.517 1.530 0 40 IDAB COc1cc(OC)cc(C(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)c1 15716707 DXOSYPXGRPTZHQ-UHFFFAOYSA-N 432.498 1.928 0 40 IDAB O=C(Nc1ccccc1)OCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1 16887183 DREIAYIZFYLTKO-UHFFFAOYSA-N 430.465 1.172 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)cc1OC 18130119 GDBAJFXFDSTMBI-UHFFFAOYSA-N 447.513 1.809 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(S(=O)(=O)c2cccs2)CC1 20730108 VPDCJIJZPPHAAF-CQSZACIVSA-N 437.518 1.773 0 40 IDAB COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)Nc3cccc(O)c3)c(=O)c2cc1OC 20761221 HLLBXHOXEVHLFW-LBPRGKRZSA-N 426.429 1.263 0 40 IDAB biogenic O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc[nH]1 22215948 SOMJLCQYNSQXKW-UHFFFAOYSA-N 434.470 1.613 0 40 IDAB Cc1ccccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22229393 ZIYIKJXWQISYSX-UHFFFAOYSA-N 431.514 1.313 0 40 IDAB CCc1ccc(C(=O)N2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)cc1 24621030 BGQMEUBTQICFDH-UHFFFAOYSA-N 430.530 1.297 0 40 IDAB CC(C)N(CCNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)C(C)C 24838035 OUNLSMJGLBVYQT-KRWDZBQOSA-N 445.607 1.001 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)NC(=O)NC1CCCC1 28721699 FOVZBLKCOGCTHX-NRFANRHFSA-N 438.532 1.730 0 40 IDAB Cc1cc(N2C[C@H](C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2=O)ccc1Br 32795618 USQHIZKRTOKWHG-OCCSQVGLSA-N 429.336 1.756 0 40 IDAB CN(Cc1ccco1)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 36386769 UWBMAQUZCITPIU-UHFFFAOYSA-N 449.529 1.406 0 40 IDAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 38946941 YMNQXSDHDGVFSY-WOJBJXKFSA-N 435.455 1.896 0 40 IDAB COc1cccc(-c2ccc(=O)n(CC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)n2)c1 44903749 PTAMTNIUPITWAE-QGZVFWFLSA-N 433.530 1.591 0 40 IDAB Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338890 HDZVHXYYGKEGSB-BFUOFWGJSA-N 432.550 1.500 0 40 IDAB CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3ccc(-n4cnnn4)cc3)ccc2NC1=O 96221601 AXAHJPXJIPISEN-KRWDZBQOSA-N 437.485 1.718 0 40 IDAB biogenic COc1ccc(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)c(OC)c1 225244134 KRFVWQWJJGJKNW-OAHLLOKOSA-N 436.486 1.426 0 40 IDAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCNc1ncccn1 524733184 CLEDHVSISTYIDI-FQEVSTJZSA-N 428.452 1.820 0 40 IDAB CC(=O)N[C@H]1Cc2ccccc2N(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 677996315 JOFZVVDXGARNJR-HNNXBMFYSA-N 437.905 1.460 0 40 IDAB CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C)CC3=O)CC1 958317659 AMTSOTWOSGAOHR-SFTDATJTSA-N 440.588 1.696 0 40 IDAB CC(=O)O[C@H]1[C@H]2C3C(C=C[C@H]2[C@H]1OC(C)=O)C1C3C=C[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]12 8637323 NVFCLEIDAMUEOZ-WDTDGOQPSA-N 444.480 1.823 0 40 IDAB Cc1ccccc1OCc1n[nH]c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)n1 8848633 SYCSJWCGGDENRW-UHFFFAOYSA-N 428.474 1.434 0 40 IDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9609038 RVPMLYYNCDAEIM-UHFFFAOYSA-N 444.488 1.459 0 40 IDAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCCn2ccnc2)CSC3)cc1 10188258 SYHMNGLFNTZSQN-UHFFFAOYSA-N 426.502 1.969 0 40 IDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 10758900 GOVAGBXSGVKAJC-WIRVKHDMSA-N 443.500 1.347 0 40 IDAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc2c(c1)OCO2 12196748 BGERZPUOVDSXPY-KRWDZBQOSA-N 445.497 1.650 0 40 IDAB O=C(CSc1nnnn1C1CC1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 12684374 XIAJMEPPTSCGQR-UHFFFAOYSA-N 449.496 1.627 0 40 IDAB CNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 12793973 MMSCATGBHWKJPL-UHFFFAOYSA-N 433.486 1.515 0 40 IDAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)ccc21 12865660 XJRIYAWWGJOZMI-CYBMUJFWSA-N 443.481 1.208 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N2CCCC2)cc1 14180376 YSAZPWHOFICEOF-SFHVURJKSA-N 425.551 1.517 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3)c2)C[C@H](C)O1 16035698 IUAFOCGYCBKNFP-IRXDYDNUSA-N 446.525 1.958 0 40 IDAB C[C@H](N[C@@H]1CCS(=O)(=O)C1)C(=O)N(C)Cc1nc(C2CC2)ncc1-c1ccccn1 19077450 INQWAPWCJAPJKZ-GOEBONIOSA-N 429.546 1.540 0 40 IDAB NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)COCCN2CCCC2=O)CCO1 19697917 OKYUTDCJUKMYSM-HNNXBMFYSA-N 431.514 1.539 0 40 IDAB O=C(Cn1nnc2ccccc21)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 19705818 HJAVKKAOGMQMPT-UHFFFAOYSA-N 434.500 1.705 0 40 IDAB CC(C)Cn1c(N)c(C(=O)CN(C)Cc2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O 23075441 CBUCXVREHHKTAB-UHFFFAOYSA-N 442.438 1.999 0 40 IDAB CC(C)(C)NC(=O)CN1CCN(C(=O)CCn2c(=S)[nH]c3ccccc3c2=O)CC1 23646139 YPFNDVPFVHFMBU-UHFFFAOYSA-N 431.562 1.508 0 40 IDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 29363212 LXEFWTFHHFNTAP-WIYYLYMNSA-N 442.560 1.963 0 40 IDAB COC(=O)c1ccc(CNC(=O)CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 30590529 NAGGEQCCKUUVSY-UHFFFAOYSA-N 449.511 1.957 0 40 IDAB Cc1c(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C 36329869 HQHLISLRGCGULT-UHFFFAOYSA-N 432.484 1.791 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c2)CC1 36452472 KUNRMXCEMLDMQJ-UHFFFAOYSA-N 442.541 1.767 0 40 IDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 58134511 QTIAXMVMOPCQJB-INIZCTEOSA-N 442.417 1.822 0 40 IDAB COc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)c(C)c1 70924512 JFSULTUZUNUTQP-UHFFFAOYSA-N 439.559 1.778 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 95115749 XNXNWJFYULHZJU-QDMVCWPOSA-N 447.491 1.589 0 40 IDAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1S(=O)(=O)N1CCOCC1 95955694 QEXUNEOREUWCRL-SFHVURJKSA-N 432.498 1.442 0 40 IDAB CSc1cc2c(cc1NC(=O)N1CCC(N[C@@H]3CCS(=O)(=O)C3)CC1)OCCO2 95971984 XTXKAXMBRRVNDK-CQSZACIVSA-N 441.575 1.953 0 40 IDAB Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O 102790039 HNRXJCZEOHTRIT-JAUHRSLLSA-N 443.463 1.927 0 40 IDAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)N3CCN(C)CC3)cn12 107189625 FACAXFZHRCCRFN-FQEVSTJZSA-N 425.581 1.594 0 40 IDAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 222970149 QOARKYUWQSACFU-MRXNPFEDSA-N 427.567 1.610 0 40 IDAB C[C@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCCN2CCOCC2)n1 225903771 FZZNXZXNKOTHEY-KRWDZBQOSA-N 449.625 1.311 0 40 IDAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)N3CCOCC3)C[C@H]2NC(=O)Nc2cccnc2)[nH]1 2332241806 LNVHRSNBHLNXJS-QFHJOOASSA-N 442.520 1.442 0 40 IDAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1 1363913 BIOSPRYQBPDVTR-OAHLLOKOSA-N 442.501 1.710 0 40 IDAB O=C(O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 2338686 ITLLBGBJIXZGKY-QYUDBREXSA-N 437.427 1.611 0 40 IDAB COc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1 8594548 SXHXZEANTUSWFN-UHFFFAOYSA-N 432.502 1.523 0 40 IDAB CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1 8861006 ILYDJJZLOIPRKB-PBHICJAKSA-N 449.554 1.689 0 40 IDAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 9113329 HSCWTEDIUNSJOJ-GFCCVEGCSA-N 435.329 1.478 0 40 IDAB O=C(NCC(=O)N1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1)c1ccccc1 9305520 JJBOTCCNQJEDFD-UHFFFAOYSA-N 435.528 1.399 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)N1CCCC[C@@H]1c1nc3ccccc3s1)c(=O)n2C 9378096 FSIJUMUXAOLPQC-CQSZACIVSA-N 438.513 1.797 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC[C@H]1CCCO1 9453088 JMWOZEJYHSBJPU-XPIZARPCSA-N 445.516 1.247 0 40 IDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O 9494863 TVSNREYLZCCQDM-ZDUSSCGKSA-N 440.481 1.845 0 40 IDAB Cc1ccc(NC(=O)CSc2nnnn2C2CC2)cc1S(=O)(=O)N1CCOCC1 9821582 HHCWOUWLCYXILR-UHFFFAOYSA-N 438.535 1.068 0 40 IDAB CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(N3CCN(C)CC3)c3c2CCC3)cc1 10255098 DREWHYQENWOVCQ-UHFFFAOYSA-N 441.557 1.549 0 40 IDAB Cc1ccccc1OC[C@H](O)Cn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 12232412 JLUVWMBXPDLSCJ-NVXWUHKLSA-N 441.532 1.418 0 40 IDAB COc1cc(NC(=O)CNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc(OC)c1OC 12390098 GJJVCJNYXJLAKB-UHFFFAOYSA-N 426.429 1.246 0 40 IDAB COCCNC(=O)CN(Cc1ccc(OC)cc1)C(=O)CCC(=O)Nc1nccs1 13151100 AAONCATVCKHNET-UHFFFAOYSA-N 434.518 1.662 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CCSc2nc(Cl)nc3nc[nH]c23)cc1 13571011 FWYYGZXMPXGYLE-UHFFFAOYSA-N 440.938 1.495 0 40 IDAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 14171554 SGUOTFIMOGJTPR-UHFFFAOYSA-N 428.518 1.234 0 40 IDAB COc1ccc(CNC(=S)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 15187689 KCEVLMDWHOVAFH-UHFFFAOYSA-N 429.571 1.957 0 40 IDAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN3C(=O)C3CCN(C(C)=O)CC3)c2N)cc1 19016736 GPOVNLMRAYPBQI-FQEVSTJZSA-N 439.516 1.895 0 40 IDAB C[C@H](C(=O)N1CC[C@@H](c2nc(O)c3c(n2)CN(C(=O)C2CCC2)CC3)C1)N1CCCC1=O 19077695 HATHACQBBNNPTH-GDBMZVCRSA-N 441.532 1.194 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1 19572717 ZBFPUTNAWUUPGF-AWEZNQCLSA-N 438.500 1.745 0 40 IDAB Cc1nc([C@H]2CCN(C(=O)c3[nH]nc4c3CCCCC4)C2)ncc1C(=O)N1CCOCC1 19757703 OFKPGVQJENHXNQ-INIZCTEOSA-N 438.532 1.879 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCc3ccccn3)c2c1 21773943 DEWYJNHSPXZYIQ-UHFFFAOYSA-N 428.514 1.926 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)NCc4cccc(OC)c4)c(=O)c3s2)CC1 21886470 CCWYESZYIMYFSD-UHFFFAOYSA-N 442.545 1.320 0 40 IDAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCCN(CC(=O)NC(C)(C)C)CC1 22924995 JXDUMSIACXLSOR-FQEVSTJZSA-N 429.609 1.646 0 40 IDAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 23249377 HNRNZCSISRYSEH-HOTGVXAUSA-N 436.603 1.620 0 40 IDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23324657 BRBNIBKSEASKNG-UHFFFAOYSA-N 431.514 1.922 0 40 IDAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CS2 25274495 PUTQAIGTRMGAER-YJBOKZPZSA-N 443.978 1.627 0 40 IDAB O=C(C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CCN(C[C@@H]2CCCO2)CC1 33028362 UNJLJSKVYUROJF-SFHVURJKSA-N 446.573 1.171 0 40 IDAB O=C(NCCn1ncc2c(N3CCCCC3)ncnc21)[C@@H]1CC(=O)N(c2ccccc2)C1 35590481 UBQFZCWHJGNJFV-QGZVFWFLSA-N 433.516 1.986 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(F)cc2)cc1 55408415 YQKDXCYURNGJAD-OALUTQOASA-N 440.518 1.513 0 40 IDAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 70012759 UHNCCEQUUMHGBL-UHFFFAOYSA-N 439.516 1.721 0 40 IDAB C[C@@H](c1nc(C2CC2)no1)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 72308916 CUZQYTMCPWWFJD-ZDUSSCGKSA-N 441.554 1.575 0 40 IDAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1cnn(-c2ccccc2)n1 77196504 IBPJNDFYSHJWIC-UHFFFAOYSA-N 430.515 1.826 0 40 IDAB COC(=O)CCC(=O)N1CCc2nc(C(=O)NCc3ccc(OC)cc3)sc2CC1 96146958 QWXMZIHUMNAJKO-UHFFFAOYSA-N 431.514 1.962 0 40 IDAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 96221243 ZEBYFCUWJYMKTG-SFHVURJKSA-N 439.468 1.983 0 40 IDAB biogenic O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2cccnc2)c2sc(=O)[nH]c2S[C@@H]31 100902030 MLQZGIPLWFHGLW-XMYRJTDVSA-N 443.506 1.389 0 40 IDAB COC(=O)C1=NN[C@H]2C(=O)N(c3ccc(Br)cc3Br)C(=O)[C@@H]12 103129587 FPPTVAKOAVFKQV-RKDXNWHRSA-N 431.040 1.202 0 40 IDAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O 138943107 FJBCIHHKPXLPQT-INIZCTEOSA-N 439.468 1.987 0 40 IDAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 150374455 MTKNDAQYHASLID-JMXXTIQDSA-N 448.512 1.526 0 40 IDAB endogenous,world O=C(CCNS(=O)(=O)c1cccc(F)c1)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 225635748 DSINNNGUTOXTJE-KRWDZBQOSA-N 449.460 1.330 0 40 IDAB C[C@@H]1CCC[C@]1(O)CNC(=O)CN(CC(=O)NC[C@@]1(O)CCC[C@H]1C)c1ccccc1 568128123 HQNXKJBRAIQZLP-VSQYNUGQSA-N 431.577 1.828 0 40 IDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 575426730 YWWLDXYKUIXBAY-HZPDHXFCSA-N 446.547 1.010 0 40 IDAB O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H](Cc1c[nH]c2cccc(Br)c12)C(=O)O 583770695 PYDWHXRJWDEXHQ-QMTHXVAHSA-N 443.319 1.867 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 585149307 IIRPYPXOKADFJO-UHFFFAOYSA-N 430.408 1.778 0 40 IDAB CCOC(=O)N1CCC(N2CCN(C(C)=O)C[C@@](O)(COc3cccc(F)c3)C2)CC1 585282075 GTMSTSMXRMMKRB-QFIPXVFZSA-N 437.512 1.721 0 40 IDAB COc1ccc(-n2nnnc2SCC(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 932216 BSAGEDOJJDULLM-UHFFFAOYSA-N 429.458 1.817 0 40 IDAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCCN1C(=O)c2ccccc2C1=O 3448489 MYZPADRGMMLATN-UHFFFAOYSA-N 441.465 1.345 0 40 IDAB CN(C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(S(=O)(=O)c2cccs2)C1 4236532 FZVQHXYUPQMUHA-UONOGXRCSA-N 436.559 1.218 0 40 IDAB biogenic,in-vitro COc1ccc([C@H]2CCCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 8013552 XPVYRQRBKIQDLH-QGZVFWFLSA-N 425.489 1.586 0 40 IDAB COc1ccc(NC(=O)[C@H](c2ccc(OC)cc2)N(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 8690845 GRYCXMKNKLYEBT-HKUYNNGSSA-N 440.456 1.440 0 40 IDAB O=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9305340 NRPRODNNBZINSK-GOSISDBHSA-N 442.541 1.926 0 40 IDAB Cc1c(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9306845 XKXWPWPPCOORKR-IAGOWNOFSA-N 447.509 1.962 0 40 IDAB COc1cc(C(=O)OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc(Cl)c1OC 9817663 FXOLOZOVEIJHBU-UHFFFAOYSA-N 439.852 1.800 0 40 IDAB COc1cc(OC)nc(NC(=O)COC(=O)[C@H](CCSC)NC(=O)c2ccccc2)n1 10538932 ISDROJIPKPRMQZ-AWEZNQCLSA-N 448.501 1.527 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)s1 12768995 FXJOETQOIAOGLK-UHFFFAOYSA-N 433.511 1.429 0 40 IDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)CCC3=O)CC2)c(C)c1C 12853444 QHHHWZPIYFKLRX-UHFFFAOYSA-N 449.573 1.601 0 40 IDAB CCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc2c(c1)OCO2 14398443 NRLIOISGSRWFDQ-UHFFFAOYSA-N 446.485 1.401 0 40 IDAB C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16032931 OKERUZQAHHXNIF-YCEOFWTISA-N 439.899 1.684 0 40 IDAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2ccncc2)CC1 19238557 LDKHYAFQPDYHRV-UHFFFAOYSA-N 431.543 1.999 0 40 IDAB CCN(CC)c1ncc2c(=O)[nH]c(C3CCN(C(=O)CCn4nnnc4C)CC3)cc2n1 19526524 XTBZBJUSLNCSEJ-UHFFFAOYSA-N 439.524 1.256 0 40 IDAB CCN(C(=O)COC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 22303309 NSADDBCQOHVURP-SWLSCSKDSA-N 445.925 1.018 0 40 IDAB CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 24436693 XJNVZLVHKXJWMJ-UHFFFAOYSA-N 431.761 1.759 0 40 IDAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 25223335 BPYYJUSFUZLVHV-IZHWHUGBSA-N 449.463 1.436 0 40 IDAB O=C(NC[C@@H]1CCCO1)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 29997717 VAJFJCDOLAVVLP-SFHVURJKSA-N 429.569 1.584 0 40 IDAB CCOC(=O)[C@H]1CSCCN1C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 33016190 MEBJLBHZODOIDA-VGSWGCGISA-N 445.541 1.883 0 40 IDAB COC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NCc2ccc3c(c2)OCO3)n1 36357200 ZGILMJUWGAMCHR-UHFFFAOYSA-N 438.396 1.696 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(C)c1C 42379740 FZUCCCVKRYJLBE-UHFFFAOYSA-N 447.561 1.450 0 40 IDAB Cc1ccc(S(=O)(=O)C2(C(=O)NCCCN(C)S(C)(=O)=O)CCCC2)cc1C 48249655 FZHPLAYJVSEKOS-UHFFFAOYSA-N 430.592 1.788 0 40 IDAB COc1ccc(N[C@@H](C(=O)N(C)C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 57529478 ZATSSUOLLRLFDN-HXUWFJFHSA-N 433.530 1.958 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(-c3noc(O)n3)cc2)C[C@@H](C)O1 58341898 KTHANRVNQAROTC-TXEJJXNPSA-N 425.467 1.003 0 40 IDAB COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)C(C)C)cc1 95402691 CSDZVDZRMVRDJE-BEFAXECRSA-N 427.505 1.678 0 40 IDAB CC(C)c1ccc(Cn2nccc2NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 95444226 WZBCCGNLXMLUGL-LJQANCHMSA-N 440.592 1.993 0 40 IDAB CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 95989060 QONASJUHYVXNIW-HNNXBMFYSA-N 448.520 1.061 0 40 IDAB COC(=O)C[C@@H](c1ccc(OC)c(OC)c1C(=O)O)c1c(O)nc2ccccn2c1=O 96114470 DTMNBSBYHJPYDX-LBPRGKRZSA-N 428.397 1.811 0 40 IDAB biogenic COc1ccc(Cl)cc1NCCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 96306483 BNSFXIVPXMUALC-UHFFFAOYSA-N 442.701 1.970 0 40 IDAB Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCCN(C)C)CC4)c3CO2)cc1 97943776 YCTZDNWBVATLGO-HXUWFJFHSA-N 440.548 1.388 0 40 IDAB CCN1CCN(CCNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 100180932 PUGIRCRHHJYSCK-DUFJIPPSSA-N 426.561 1.695 0 40 IDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCN(C(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)CC1)OC2=O 100749440 LHLRTIIKMVJLPU-UEQSERJNSA-N 446.544 1.901 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)CC1 220640954 MUJZHRVHNDWBFF-QGZVFWFLSA-N 427.523 1.541 0 40 IDAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(S(=O)(=O)NC)ccc3C)ccc21 223033612 RXQRRIIQQYNCCT-UHFFFAOYSA-N 425.488 1.632 0 40 IDAB Cc1cc(N2CC[C@](O)(CNC(=O)c3ccc(OCCN4CCCC4)cc3)C2)ncn1 257237303 HFXASFPCXAIITJ-QHCPKHFHSA-N 425.533 1.631 0 40 IDAB CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H](c4n[nH]cc4-c4ccnc(N)c4)C3)ccc21 257269500 MQGMCNJLFKJIDJ-AWEZNQCLSA-N 438.513 1.751 0 40 IDAB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCN1CCOCC1 408618475 JOFNRCOCKTYQCI-UHFFFAOYSA-N 437.949 1.984 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 409140175 FNWAPCCPBNNGIM-UHFFFAOYSA-N 448.320 1.014 0 40 IDAB Cc1ccccc1NC(=O)[C@H](C)NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 504294995 SOJAAJNZOAFWND-NFJROIKOSA-N 434.489 1.835 0 40 IDAB biogenic CN1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCCN(c4ccccc4)C3=O)CC2)CC1 555993965 KVNRWFVVMBYTIN-OAQYLSRUSA-N 426.561 1.832 0 40 IDAB CC(=O)Nc1ccc(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)cc1 932568 APHYNQRDWOARQU-UHFFFAOYSA-N 429.502 1.948 0 40 IDAB CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 8707218 RKIGTYMSISHHJK-ZDUSSCGKSA-N 440.551 1.394 0 40 IDAB CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 8995869 HRWGUCQKYFQTLQ-IJDPYKPMSA-N 433.530 1.765 0 40 IDAB biogenic NC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)c1cccc(OC(F)F)c1 9223316 YHCORGHHYRDMEY-UHFFFAOYSA-N 427.385 1.360 0 40 IDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 9512390 BAIDCPWXWOTPHU-FQEVSTJZSA-N 434.518 1.520 0 40 IDAB CN(CC(=O)N1CCOCC1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 9512574 DROTWVPBRJOGGN-UHFFFAOYSA-N 443.525 1.369 0 40 IDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccccc1 9600300 CKWWPAJXNHRGCO-KRWDZBQOSA-N 437.905 1.120 0 40 IDAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 9727628 YCBLFBNMBAXGAZ-HNAYVOBHSA-N 439.921 1.285 0 40 IDAB COc1ccccc1CCNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11997686 NKBJVTXDMQAXED-UHFFFAOYSA-N 438.527 1.591 0 40 IDAB C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1 12144279 CPHJETNWTIGJRT-KRWDZBQOSA-N 425.533 1.792 0 40 IDAB Cc1ccc(C(=O)NCC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)s1 12568635 OZNWOUZOUZTXBA-SFHVURJKSA-N 434.949 1.811 0 40 IDAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 12676800 JJKOITFZVJJZAH-IRUYWQDXSA-N 445.585 1.270 0 40 IDAB O=C(CSC(=S)N1CCCC1)NCCNC(=O)CSC(=S)N1CCCC1 13100717 OZKNONNKQHGEEK-UHFFFAOYSA-N 434.678 1.447 0 40 IDAB O=c1c(C(c2ccccc2)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2 13143357 MGDSCGGXXHEHAG-UHFFFAOYSA-N 428.495 1.603 0 40 IDAB COc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Nc2ccccc2)cc(OC)c1OC 13564006 NRRQSMRFDDAIPB-IRXDYDNUSA-N 429.473 1.996 0 40 IDAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCOCC1 14184340 GIDSFOZBXIDSPC-OAHLLOKOSA-N 426.535 1.443 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NN1C(=O)NC2(CCCCC2)C1=O 17115386 NFDBKIYZJFRCNB-UHFFFAOYSA-N 448.545 1.520 0 40 IDAB Cc1cc(-c2cnc(NCCNC(=O)Cn3cnnn3)nc2-c2ccc(C)s2)on1 19217411 PGXAXQBLNBROSM-UHFFFAOYSA-N 425.478 1.692 0 40 IDAB CCOc1nn(CC)cc1C(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1 21011446 XTVKSRNNHKLVME-UHFFFAOYSA-N 426.524 1.356 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)c1 23817495 ITRQQQBLPFVPAU-KRWDZBQOSA-N 436.530 1.450 0 40 IDAB CC(=O)Nc1ccc(OC[C@@H](O)CNC[C@@H](O)COc2ccc(NC(C)=O)cc2)cc1 28295666 NFRHINBTPYCJGQ-BGYRXZFFSA-N 431.489 1.373 0 40 IDAB O=C(CNc1ccc(I)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 29649596 VWDAGKHIYNSYIT-SECBINFHSA-N 428.679 1.660 0 40 IDAB CCOC(=O)c1c(/C=C/C(=O)NC2CCN(S(C)(=O)=O)CC2)c(C)n(CC)c1C 36394698 SWJNEFSAKKANHT-CMDGGOBGSA-N 425.551 1.855 0 40 IDAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 36638787 CZWYSKQUGLIDLE-JDQKMNLISA-N 441.553 1.412 0 40 IDAB C[C@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 58163361 YAKKRCWBPIXZCT-OAHLLOKOSA-N 449.504 1.930 0 40 IDAB O=C(NCc1n[nH]c(=O)[nH]1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 72311727 DFKQXWAYRWBIGF-UHFFFAOYSA-N 448.549 1.193 0 40 IDAB CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N3CCN(C)CC3)cn12 96156808 FACAXFZHRCCRFN-HXUWFJFHSA-N 425.581 1.594 0 40 IDAB CC[C@@H](C(=O)NCCN1CCOCC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220696303 SJHHGFDWMLAHCW-INIZCTEOSA-N 438.377 1.986 0 40 IDAB O=C(NC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O)Nc1ccc(F)cc1 225519251 AMMRQXOAWXIJGD-GRLWTPEZSA-N 443.422 1.491 0 40 IDAB biogenic,in-vitro CC(C)c1ccc(S(=O)(=O)N(c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575420947 FSMWGHCZTGWWID-RBUKOAKNSA-N 425.528 1.869 0 40 IDAB COc1ccc(CNC(=O)C[C@@H]2NC(=O)N(Cc3ccc(OC)c(OC)c3)C2=O)cc1 604406028 YTRCLCVJZHQZDM-KRWDZBQOSA-N 427.457 1.839 0 40 IDAB biogenic CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)CC1 610727339 NOIXPVHZURRBNR-GHTZIAJQSA-N 426.565 1.374 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)cc1 1548348884 VCMOERRZRQMPTO-UHFFFAOYSA-N 443.525 1.546 0 40 IDAB CCn1cc(C(=O)NCC(=O)Nc2ccc3c(c2)OCO3)c(=O)c2cc3c(cc21)OCO3 9305066 IFHPHVQUXDQREI-UHFFFAOYSA-N 437.408 1.847 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)C2=O 9461898 XUPCXRJRTUXMGA-UHFFFAOYSA-N 448.545 1.910 0 40 IDAB O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)NC[C@H]1COc2ccccc2O1 9516668 XOVDEMDMTKQIGS-OLZOCXBDSA-N 439.515 1.095 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC(=O)NCc3ccccc3)C2=O)cc1OC 9613053 LYVOSLLSURROCL-QFIPXVFZSA-N 440.456 1.497 0 40 IDAB Cc1ccc(OCCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c(C)c1 9888702 UWAGYTZKVJQRSD-UHFFFAOYSA-N 433.530 1.596 0 40 IDAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cn1cnc2c(cnn2C)c1=O 10228016 ZPQIQHDSRQHWCQ-UHFFFAOYSA-N 441.879 1.459 0 40 IDAB CC(C)CN(C(=O)CN(C)C(=O)c1cccs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 10708245 IXYZSNHSRXLUKQ-UHFFFAOYSA-N 435.550 1.598 0 40 IDAB Cc1nnc2ccc(N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)nn12 11696275 YOTDIUCNYYBRSM-UHFFFAOYSA-N 426.424 1.962 0 40 IDAB COCOC(=O)[C@@H]1N2C(=O)[C@H](N3C(=O)[C@@H](c4ccc(O)cc4)NC3(C)C)[C@@H]2SC1(C)C 11726762 XMNFWSAYWSUJMH-LLDVTBCESA-N 449.529 1.179 0 40 IDAB biogenic COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1 12557854 PSMJCVMINZHAKZ-UHFFFAOYSA-N 433.364 1.979 0 40 IDAB C[C@@H](On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(=O)Nc1ccccc1F 12889311 JXGNBLLUCDNEFQ-CYBMUJFWSA-N 449.464 1.047 0 40 IDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 13055735 BQLWZFVKMKWVPD-NRFANRHFSA-N 444.513 1.651 0 40 IDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)NC(=O)c2ccccc2)c1 13149470 OMVYMEDFTNVPGF-UHFFFAOYSA-N 425.470 1.871 0 40 IDAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O 13164615 GVTMGPSQYXAJBC-JLCFBVMHSA-N 439.424 1.139 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 16048052 QCNJZMLSTPZYLV-OAHLLOKOSA-N 431.470 1.500 0 40 IDAB O=C(NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21)c1cnccn1 17190507 MGESKZYTVJZCRE-UHFFFAOYSA-N 429.488 1.373 0 40 IDAB CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)nc2ccccc12 19759094 WFHALYSRGHPADG-NRFANRHFSA-N 449.511 1.928 0 40 IDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)C1=O 19797398 JHEOFXARBMUMNS-KRWDZBQOSA-N 427.526 1.957 0 40 IDAB CC(=O)NCc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 24388713 AXRGFNCWPLZNOM-UHFFFAOYSA-N 433.505 1.999 0 40 IDAB CCCn1c(CCC(=O)NCC(=O)OC)nc2cc(S(=O)(=O)N3CCCC3)ccc21 30598998 MJYRZGODHLHIGB-UHFFFAOYSA-N 436.534 1.453 0 40 IDAB CCOc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCOCC3)n2CC)cc1 32579342 DPYAMOQAQXFRJK-UHFFFAOYSA-N 433.534 1.829 0 40 IDAB CCN1CCN([C@@H]2CS(=O)(=O)C[C@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 36594764 ZTEKJIVUCSMFLC-RTBURBONSA-N 428.620 1.561 0 40 IDAB COc1cc(C(=O)NCCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc(OC)c1OC 46086241 DBRLCIGSAPFICM-INIZCTEOSA-N 430.457 1.644 0 40 IDAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1 57544384 YTYCDCBTTDXPNH-OALUTQOASA-N 436.622 1.721 0 40 IDAB CCOC(=O)CCN(Cc1cccnc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 64361076 JKMGRLQVGMBGEE-HSZRJFAPSA-N 438.484 1.831 0 40 IDAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 95101151 HLORHOWZWQKXIN-PAAWJGCRSA-N 434.529 1.433 0 40 IDAB CN1CCc2cc([C@H](O)CNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)ccc21 96363014 PHYMCAJYTFUKCL-OAQYLSRUSA-N 436.512 1.984 0 40 IDAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccc(Br)cc3Br)C(=O)[C@@H]12 103129577 WZDRINMQXQMNQM-NXEZZACHSA-N 445.067 1.592 0 40 IDAB CO[C@@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@]12CCCO2 257250628 JNIXDVJKMLRLHJ-TZIWHRDSSA-N 437.562 1.680 0 40 IDAB Cc1cn([C@@H]2CN(C(=O)CCc3nc4cc(Cl)ccc4n3C)C[C@H]2O)c(O)nc1=O 257306838 SWFNHRIIKVTZIN-HZPDHXFCSA-N 431.880 1.174 0 40 IDAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CN(C(=O)CN3CCOCC3)CCO2)n1 257312093 UMMJKHQTFLEFJM-HXUWFJFHSA-N 426.521 1.773 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)[C@H]2O)CC1 585269085 GBHXNELHXYMUFK-DUXKGJEZSA-N 429.496 1.392 0 40 IDAB CC(=O)N1CCN(C[C@]2(O)CCN(Cc3ccc(OCc4nccn4C)cc3)C2)CC1 585269627 DLFPETOTTPCLOA-HSZRJFAPSA-N 427.549 1.100 0 40 IDAB Cc1n[nH]cc1CN(C)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1664902995 CUIZWTGHDAQLKV-UHFFFAOYSA-N 428.312 1.492 0 40 IDAB O=C(NCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363803 KYCTVSXBJLJHOO-QGZVFWFLSA-N 426.502 1.379 0 40 IDAB CN1C(=O)N(C)C(=O)C2(Cc3c(nc4ccccn4c3=O)N(C)[C@@H]2c2ccccc2)C1=O 2347655 DCHVATICDBIEBC-QGZVFWFLSA-N 431.452 1.465 0 40 IDAB CCCN(CC1CC1)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc2nsnc12 2643367 ZGIBWZGIVHJYCQ-LBPRGKRZSA-N 440.547 1.550 0 40 IDAB COCCOC(=O)c1c(NC(=O)CSc2cccc[n+]2[O-])sc(C(N)=O)c1C 3358301 KKIPQYKRZMFWTF-UHFFFAOYSA-N 425.488 1.323 0 40 IDAB Cc1cc(C)n2nc(SCC(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)nc2n1 8621827 DQFFRBZZEZQQNE-LJQANCHMSA-N 425.474 1.332 0 40 IDAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(F)c(F)c1F 9506739 OUMHRBAHGFKTMM-UHFFFAOYSA-N 430.408 1.260 0 40 IDAB CCN(CC)C(=O)CSc1nc(-c2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C 9517502 CEYVIHSNLZYJIO-UHFFFAOYSA-N 427.530 1.963 0 40 IDAB O=C(Cn1cnc2c(nnn2-c2ccc(OC(F)(F)F)cc2)c1=O)NCc1ccco1 9517807 FFDHCSGMAUYTCQ-UHFFFAOYSA-N 434.334 1.785 0 40 IDAB COCCCNC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl 9612758 IPTCVDMGGFZCFO-UHFFFAOYSA-N 431.942 1.397 0 40 IDAB CCCCN(C(=O)COC(=O)c1ccc(C=O)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 9663324 CWGRFIUYCMZSNR-UHFFFAOYSA-N 430.461 1.331 0 40 IDAB CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)c1 9707744 HPMABTCGIDTUKE-UHFFFAOYSA-N 435.527 1.798 0 40 IDAB NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 9742529 DNCPNNOQBDKXBQ-QGZVFWFLSA-N 445.903 1.834 0 40 IDAB COc1ccc(N(CC(=O)NCCCN2CCCCCC2)S(C)(=O)=O)c(OC)c1 10111169 RHRZHPCIYDUVAG-UHFFFAOYSA-N 427.567 1.852 0 40 IDAB COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1S(=O)(=O)N(C)C 10778201 ZDAFMNKIVFKHJU-UHFFFAOYSA-N 445.541 1.980 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCCC[C@H]2C)c2c(C(N)=O)nc(-c3cccs3)nc21 12276827 LDGJCESQFPHODR-GFCCVEGCSA-N 428.518 1.841 0 40 IDAB COc1ccccc1NC(=O)CNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 12660201 BODVAWUTDKJLSN-FSNPWBFUSA-N 436.461 1.146 0 40 IDAB biogenic CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 12896628 VCVPITPTMAJNHQ-LPHOPBHVSA-N 434.606 1.435 0 40 IDAB biogenic O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1ccc2c(c1)OCO2 15271676 AZKZATZYGZMEML-UHFFFAOYSA-N 434.470 1.561 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)C1 19583665 GPTXAXXBEYPKRA-HNNXBMFYSA-N 448.593 1.721 0 40 IDAB COc1cc2cc(N)c(C3CCN(C(=O)C[C@H]4C(=O)NCCN4C)CC3)nc2cc1OC 19590162 ZLCDWURFLQWLHF-SFHVURJKSA-N 441.532 1.361 0 40 IDAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)no1 19635828 MVODOTJQSUVAEU-OAHLLOKOSA-N 442.472 1.956 0 40 IDAB COc1ccc(CNC(=O)[C@@H]2CN(C(=O)c3cnc(C)nc3C)Cc3cn(C)nc32)cc1 19701510 IDGTZUGGTHVKPC-HXUWFJFHSA-N 434.500 1.892 0 40 IDAB COc1c2c(cc3c1[C@H](c1c(O)n(-c4ccc(F)cc4)c(=O)[nH]c1=O)N(C)CC3)OCO2 19706879 XCONBRNXFAOYCN-QGZVFWFLSA-N 441.415 1.685 0 40 IDAB biogenic CN(C)S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(F)cc1 20245371 DVDHFMSXTWGYGQ-UHFFFAOYSA-N 435.481 1.268 0 40 IDAB O=S(=O)(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc2c(c1)OCCO2 22851237 HJEWLDFEKZSRKB-QGZVFWFLSA-N 448.497 1.538 0 40 IDAB CC(=O)c1ccc(N2CCN(C(=O)[C@H](C)NC3=NS(=O)(=O)c4ccccc43)CC2)cc1 25261735 URHQNSLIOMAYBT-HNNXBMFYSA-N 440.525 1.665 0 40 IDAB Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 25849810 YKADBGNTXCPCOM-MRXNPFEDSA-N 445.497 1.498 0 40 IDAB COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F)C(=O)OC 31808322 JVLAOMGRSXSNLH-WMLDXEAASA-N 438.843 1.964 0 40 IDAB Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C(C)C 32817385 FNLROWUYCBVSCI-HXUWFJFHSA-N 444.557 1.678 0 40 IDAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(C2CCCC2)C1 36398145 ORKUIEFFEFIJNQ-KRWDZBQOSA-N 435.546 1.115 0 40 IDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1 41097401 JJWLTWUZLHOKDA-QGZVFWFLSA-N 444.484 1.733 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204924 ZMKFCUJGUJAMPB-FQEVSTJZSA-N 425.464 1.824 0 40 IDAB CC(C)OCCOC[C@H](O)CN(C)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 72309669 LBVYXYLZYRBHRB-GOSISDBHSA-N 425.530 1.208 0 40 IDAB O=C(Nc1nc2c(s1)CN(C(=O)Cn1c(=O)oc3ccccc31)CC2)c1cnccn1 77196259 KOCDMBKRIMIMMT-UHFFFAOYSA-N 436.453 1.678 0 40 IDAB COc1cccc(NC(=O)N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)c1 96050449 XWUQOONQJLSUAQ-NRFANRHFSA-N 426.477 1.300 0 40 IDAB CCOC(=O)CN1C(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O 103128386 KZLDWBSCYBHPAW-QZTJIDSGSA-N 425.393 1.370 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 105916968 QHNUAZWNAPSBQV-VIYGXFRKSA-N 437.445 1.030 0 40 IDAB O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccc(I)cc3)ccc21 111135660 HWGRLIABNDIXHU-UHFFFAOYSA-N 428.207 1.976 0 40 IDAB O=c1c(I)c(I)cnn1C1CCOCC1 217590671 PJUPKCFPJQQCAN-UHFFFAOYSA-N 431.999 1.804 0 40 IDAB COc1ccc(OC)c(N([C@H](C)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 220216006 PMOGJYNCYVFLSQ-CYBMUJFWSA-N 436.486 1.903 0 40 IDAB O=C(NCc1ccccc1)C1=NO[C@@]2(COCC[C@H]2NS(=O)(=O)c2ccccc2)C1 306134627 NTSSIJDFDMENCT-TZIWHRDSSA-N 429.498 1.585 0 40 IDAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 390825820 GMXJFLQAQXTQCA-SFHVURJKSA-N 434.518 1.725 0 40 IDAB O=C(NCCc1csc(-c2ccccc2)n1)C1CN(c2cc(-n3cncn3)ncn2)C1 575609873 RHSHRJGHHDZNQV-UHFFFAOYSA-N 432.513 1.976 0 40 IDAB CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)CC1 610727340 NOIXPVHZURRBNR-NQIIRXRSSA-N 426.565 1.374 0 40 IDAB COCCN1C(=O)CN(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C1=O 1888875663 NGQFQXVETUDGRJ-UHFFFAOYSA-N 427.387 1.023 0 40 IDAB COc1cc2oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c(C)c2cc1OC 2115904 LAQKJWXMPWDXOJ-IBGZPJMESA-N 434.445 1.003 0 40 IDAB biogenic O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCC1=CCCCC1 2658750 ZHXBYGSVNMGKIN-UHFFFAOYSA-N 436.530 1.871 0 40 IDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 3388971 IKSAABVYXAYUQN-MRXNPFEDSA-N 448.522 1.047 0 40 IDAB O=C(OCn1nnc2ccccc2c1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3519883 ODWHRWSEZSGEMA-UHFFFAOYSA-N 428.470 1.781 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)cc1 6530278 KFLQKVLISRWFRY-UHFFFAOYSA-N 443.485 1.243 0 40 IDAB C[C@H](OC(=O)c1ccccc1NCCO)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9220499 RHBZYZWVXROEGY-NSHDSACASA-N 439.390 1.808 0 40 IDAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(c2ccccn2)CC1 9420061 FSQYNWZAULJGPZ-QGZVFWFLSA-N 432.521 1.970 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 9596534 QUOOZEFKNGQBGV-UHFFFAOYSA-N 433.505 1.684 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OC)nc3)CC2)cc1 9736033 SSPCNRZJUPGYIA-UHFFFAOYSA-N 434.518 1.705 0 40 IDAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)[C@@H]1C 9787897 KGQXZKRTRFWWPN-INMHGKMJSA-N 435.546 1.989 0 40 IDAB COC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)cc1 10021268 DWHACUIZCLYGBM-JOCHJYFZSA-N 425.441 1.565 0 40 IDAB CC(=O)N[C@@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccccc1 10629639 UUEQFWXXLQTAOC-SFHVURJKSA-N 447.513 1.619 0 40 IDAB NS(=O)(=O)c1cc2c(cc1Cl)N=CN(S(=O)(=O)Cc1ccccc1)S2(=O)=O 16480813 TYDNPBFJVWBDFG-UHFFFAOYSA-N 449.919 1.182 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2)NCCCN1CCOCC1 19374543 IJWVWOGJYPVMLQ-HSZRJFAPSA-N 429.517 1.242 0 40 IDAB CC(=O)NCC(=O)N(C)Cc1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 19697425 HTXPYEPUJZCXEY-HNNXBMFYSA-N 442.495 1.297 0 40 IDAB Cc1nn(C)c(C)c1CCNC(=O)c1ccc(=O)n(CC(=O)N2CCc3ccccc32)c1 19751093 HUHGCZKLSMFUOF-UHFFFAOYSA-N 433.512 1.760 0 40 IDAB COc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 23322136 XQCMKMSEIUEONH-VLIAUNLRSA-N 448.497 1.883 0 40 IDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 24688471 FARYRIMRRNJBPA-UHFFFAOYSA-N 433.440 1.692 0 40 IDAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCN(CCO)CC1 25424929 APYFTMYEABLGQR-UHFFFAOYSA-N 429.970 1.655 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)C[C@H](C)O1 32818427 JDKKCTXTGOTISY-HOTGVXAUSA-N 429.970 1.771 0 40 IDAB O=C(c1ccco1)N1CCN(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 34858821 WQOUWGPUGQJKNI-GOSISDBHSA-N 437.562 1.386 0 40 IDAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)c1 36569550 VDTPQSMPHAKDCF-DUMQITSDSA-N 429.448 1.988 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 40062849 JVBQFRWGKLBABO-UHFFFAOYSA-N 432.502 1.611 0 40 IDAB Cc1c(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cnn1[C@H]1CCS(=O)(=O)C1 40141414 FXNXSADPVPKQCV-INIZCTEOSA-N 427.486 1.768 0 40 IDAB Cn1cc(C(=O)NC2CCN(C(=O)CCN3C(=O)CSc4ccccc43)CC2)cn1 48299958 BVDHFRWNJHIDPS-UHFFFAOYSA-N 427.530 1.670 0 40 IDAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2=O)cc1 59405492 PYCKJUJWKZZJLD-DEOSSOPVSA-N 440.544 1.832 0 40 IDAB Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CCN(S(=O)(=O)C(C)C)C2 70021270 VAPDWJYKTJJQEA-QGZVFWFLSA-N 447.561 1.581 0 40 IDAB CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)N(C)C 72281270 PISDWBGGTACVOA-RKVPGOIHSA-N 425.551 1.327 0 40 IDAB O=C(CSc1cn[nH]n1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 95471370 NWSBEGPGBJXBCD-UHFFFAOYSA-N 425.883 1.780 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(=O)[nH]c1=O 101835675 JXTJPECKAFHPAL-HUUCEWRRSA-N 447.536 1.083 0 40 IDAB CCc1cccc2c1NC(=O)[C@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 105381090 TYWOLZGGOZTIIF-JASPBSDLSA-N 433.508 1.593 0 40 IDAB Cc1c([C@@H]2C[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)N(C)S(=O)(=O)N2)cnn1C 208531475 JLROMDGKMIGZFX-GJZGRUSLSA-N 447.439 1.845 0 40 IDAB O=C1CO[C@@H](C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)N1 257217447 CYYXOSVMRLGUMA-HZPDHXFCSA-N 428.388 1.767 0 40 IDAB O=C(c1ccccc1CN1CCOCC1)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257233803 GQUJPPMHOBAXCX-ZEQRLZLVSA-N 449.551 1.813 0 40 IDAB Cc1c(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408782678 YGENRGPLEDNRLI-UHFFFAOYSA-N 428.514 1.768 0 40 IDAB COc1cc([C@H](CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O 524731438 XYBBCSLUKDMCAQ-KGLIPLIRSA-N 437.470 1.193 0 40 IDAB biogenic COc1cc(OC)cc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCN(C)C(=O)C2)C3)c1 585103576 HLDHNQHQVQTMJM-HXUWFJFHSA-N 431.533 1.489 0 40 IDAB CCN1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 585168866 VRIBECTWASLRIZ-LEWJYISDSA-N 448.523 1.944 0 40 IDAB COCC(=O)N1CCN(CC2(O)CCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 585282157 HPUSYWZFSSVRMF-XMMPIXPASA-N 434.577 1.899 0 40 IDAB CCOC(=O)[C@H]1CN(S(=O)(=O)c2cccs2)c2ccc(CC(=O)OC)cc2O1 1399730 ZFUWSGKPYSXDHY-OAHLLOKOSA-N 425.484 1.983 0 40 IDAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccncc1 9186389 BJPZFLPXTQAWDV-INIZCTEOSA-N 430.530 1.303 0 40 IDAB CCOC(=O)C1=C(Cn2nnc3ccccc3c2=O)NC(=O)N[C@H]1c1ccc(OC)cc1 9316319 CCLURELADVRLTP-IBGZPJMESA-N 435.440 1.671 0 40 IDAB COc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3cccc(C)c3)c2N)cc1OC 9677863 UYXCLSLKYNIJHO-UHFFFAOYSA-N 438.488 1.797 0 40 IDAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9742159 LVWSKXKIFXRKQJ-LJQANCHMSA-N 433.530 1.867 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)cc1 9812818 GYZIMIOKUVOFIW-UHFFFAOYSA-N 426.498 1.238 0 40 IDAB Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3CCNc2ccc(F)cc2)n(C)c1=O 10108982 PNNSYXLZQBRSTO-UHFFFAOYSA-N 447.474 1.909 0 40 IDAB O=C(CNC(=O)c1ccccc1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1 11796139 OSZBZPXZPKAMFB-UHFFFAOYSA-N 444.557 1.075 0 40 IDAB Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1S(N)(=O)=O 12679777 UCSJONWUUYHHOF-ZDUSSCGKSA-N 434.470 1.448 0 40 IDAB CCSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12773378 MCQAGAQNWGAZAR-UHFFFAOYSA-N 436.559 1.383 0 40 IDAB COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc(OC)c1OC 13628344 DBJBXZBUIBMHFA-IYBGGQRXSA-N 441.440 1.934 0 40 IDAB CCN(CC)CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3C[C@H]3C)C[C@]2(C)NC(=O)c2ccccc21 19526389 ZIWOYMXXILCMPL-HCWCBTOOSA-N 426.561 1.978 0 40 IDAB CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCN(C4CCCCC4)C(=O)C3)ccc21 19572473 ALGZZZVYCVCYBJ-NRFANRHFSA-N 435.590 1.909 0 40 IDAB CN(C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(S(=O)(=O)N(C)C)C1 19702262 YRJXBKCYXSJWFM-CYBMUJFWSA-N 425.580 1.183 0 40 IDAB CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1C[C@H](O)COc1ccccc1 19904674 JJBQPTVASHOMRK-HNNXBMFYSA-N 430.509 1.029 0 40 IDAB CCOC(=O)c1sc(NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)cc1C 22813255 JAAHZMYJUGJTNY-UHFFFAOYSA-N 436.578 1.802 0 40 IDAB O=c1c2ccccc2nnn1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 25664908 ANSOOXBTQSHGRJ-UHFFFAOYSA-N 425.514 1.244 0 40 IDAB O=C(NCc1ccc(N2CCOCC2)nc1)NC[C@@H](c1ccccc1)N1CCOCC1 27342632 PZMGDXKLYLJQFL-NRFANRHFSA-N 425.533 1.791 0 40 IDAB CCS(=O)(=O)N1CCC(NC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)C)CC1 32907619 GXXVPRQYFHTVEN-GOSISDBHSA-N 425.551 1.868 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1CCc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)o1 35597126 ZKDQDZJLFOGONX-UHFFFAOYSA-N 445.457 1.042 0 40 IDAB COc1ccc(CNC(=O)[C@@H](C)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 36385060 NKSMFZRVQZOVIL-GOSISDBHSA-N 431.558 1.848 0 40 IDAB CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(CC(=O)N(C)C)CC2)C1 72380177 HLYTVLJNVNGDJM-FQEVSTJZSA-N 428.577 1.611 0 40 IDAB CCCCCCn1cc(S(=O)(=O)N2CCN(c3nccs3)CC2)c(=O)[nH]c1=O 89953403 YPVMISDRDKIEEL-UHFFFAOYSA-N 427.552 1.084 0 40 IDAB COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)[C@@H](C(=O)OC)C1 96002238 QDJPMBVMCUILTI-CKEIUWERSA-N 434.514 1.715 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccsc2)c(=O)n1CC(=O)Nc1cccc(F)c1 96792886 SILBNZWEEGIFJU-JBQBYQKISA-N 432.498 1.922 0 40 IDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 102847085 JOQRVAJXADVMSN-HDICACEKSA-N 433.530 1.975 0 40 IDAB C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1 223846309 GHYWPOVDSVXVLF-HNNXBMFYSA-N 439.559 1.580 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(C)S(=O)(=O)c1ccccc1 225800532 SWPCMDZDGNFJGG-UHFFFAOYSA-N 437.543 1.147 0 40 IDAB CN(CC(=O)NCCSc1ncn[nH]1)S(=O)(=O)c1ccc(Br)cc1 226020836 DUNFDBIGKWTEEK-UHFFFAOYSA-N 434.341 1.096 0 40 IDAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 249700066 XFNASZKKNLWFAK-MJUUVYJYSA-N 426.561 1.576 0 40 IDAB CCc1cc(CNC(=O)[C@@H]2CN(C(=O)c3cccc(N4CCCC4)c3)CCN2C)on1 257291868 QIZDKBAORKYFEL-NRFANRHFSA-N 425.533 1.910 0 40 IDAB CN(CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21 780294 SAFXLGUCHZMSFO-OAHLLOKOSA-N 427.482 1.664 0 40 IDAB COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3c[nH]c(=O)[nH]c3=O)cc2)cc1 2638202 UIVMXEAWQRVTFV-UHFFFAOYSA-N 438.396 1.120 0 40 IDAB COc1ccc(CC(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1 2662976 KNVYBSKDPOSWRM-UHFFFAOYSA-N 448.497 1.304 0 40 IDAB O=C(COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1 3228811 MQYQNPWCMQISJU-DHZHZOJOSA-N 444.509 1.580 0 40 IDAB COCCN1C(=O)/C(=C\Nc2nc3ccccc3nc2N2CCCC2)C(=O)NC1=S 9282958 VEWSZAHRNVNBSX-SEYXRHQNSA-N 426.502 1.416 0 40 IDAB O=C(NCc1ccccc1OC(F)(F)F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 9336818 QYXOGMQLFJDGPF-GFCCVEGCSA-N 433.408 1.367 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nnc(CSc3ccccc3)s2)n(C)c1=O 9356303 CSBIUPRKRKQYMT-UHFFFAOYSA-N 443.514 1.216 0 40 IDAB COc1ccc(Cn2nnnc2SCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 9788809 MJLIPHPYRWSCNA-UHFFFAOYSA-N 440.529 1.877 0 40 IDAB COC(=O)C1CCN(C(=O)CCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1 11693262 JANLTLXJBBMVCQ-UHFFFAOYSA-N 427.436 1.523 0 40 IDAB C[C@@H]1CN(C(=O)CN2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc3C2=O)C[C@@H](C)O1 12086707 QQRNJFYYRKHADD-QZMQVMSPSA-N 429.517 1.538 0 40 IDAB Cc1nc2cc([C@@H]3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nn2c(O)c1C 12134276 ZMGFSHRUFSDZMM-MRXNPFEDSA-N 435.550 1.429 0 40 IDAB COc1ccccc1OCC(=O)NCCS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 12445071 GBYTYBBWLKGJJB-UHFFFAOYSA-N 447.557 1.651 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)c1cccnc1)c(=O)n2Cc1ccccc1 14095289 UDKHNCQWAFKBRJ-INIZCTEOSA-N 432.484 1.700 0 40 IDAB Cc1ccccc1C(=O)NCCC(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 14246502 IACBNXMJKKVHMU-NRFANRHFSA-N 437.496 1.768 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15969311 SEVGYGLCWSWWEZ-XVIHEJCXSA-N 446.507 1.142 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1C 16050914 ATBMEFSELMTUCM-FQEVSTJZSA-N 429.542 1.892 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)ccc21 16737107 NZKHOHVMMDENCP-UHFFFAOYSA-N 449.554 1.597 0 40 IDAB Cc1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)cc1 17042022 BLVCDYYDHMQQIN-UHFFFAOYSA-N 443.525 1.973 0 40 IDAB COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)C4CCN(C(C)=O)CC4)C3)c2N)cc1 19016707 WABQCXAJMBHSTL-KRWDZBQOSA-N 439.516 1.753 0 40 IDAB COC[C@H](C)N1C[C@@H](C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)CC1=O 19456578 YJSIDSZKRIBKKT-RLFYNMQTSA-N 438.532 1.947 0 40 IDAB Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(C(=O)COc1ccc(F)cc1F)C2 19701413 KPFJAZFMBLUWPL-KRWDZBQOSA-N 441.438 1.915 0 40 IDAB CCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 19831249 UHSQENURPJTLAO-UHFFFAOYSA-N 438.528 1.906 0 40 IDAB COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2OC)N2CCOCC2)cc1 23107504 WPQUIVZSLCURAT-HXUWFJFHSA-N 427.501 1.510 0 40 IDAB COc1cc2[nH]c3c(=O)n(CCC(=O)N4CCC(C(N)=O)CC4)cnc3c2cc1OC 23125953 GYEZRFGVLHBVBR-UHFFFAOYSA-N 427.461 1.009 0 40 IDAB COc1ccc(C)cc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 24831149 SSNJEKXUOCJMSS-UHFFFAOYSA-N 431.514 1.396 0 40 IDAB CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 24928726 SODLDTBFUZSGKN-CABCVRRESA-N 431.352 1.849 0 40 IDAB Cc1cc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)ccc1-n1cnnn1 28896036 OXLIZCHFQRQWQD-QGZVFWFLSA-N 443.533 1.416 0 40 IDAB O=C(CN1CCN(CC(=O)Nc2cccc(F)c2)CC1)NC[C@@H]1COc2ccccc2O1 32759463 GPBIZLJSNQRDGN-LJQANCHMSA-N 442.491 1.338 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN(C)S(C)(=O)=O 32915131 SBDXMYNZENUFLZ-UHFFFAOYSA-N 431.580 1.181 0 40 IDAB Cc1oc(-c2cccs2)nc1CC(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 40089311 TZZUBXPNODNBOB-CHWSQXEVSA-N 427.548 1.809 0 40 IDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 40134202 CWMDCEPQDCIJPG-MRXNPFEDSA-N 429.502 1.154 0 40 IDAB Cc1cc(N2CCOCC2)ccc1NC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 48275815 UDWQPURBYUTZNA-IRXDYDNUSA-N 440.566 1.392 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCC[C@H](c3ccnc(COC)n3)C1)n2C 58332523 PKXWFHCCICXCOP-HNNXBMFYSA-N 441.536 1.539 0 40 IDAB C[C@@]1(NC(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)CCS(=O)(=O)C1 72327579 XQYSTVNSGIYMQW-RTWAWAEBSA-N 434.514 1.097 0 40 IDAB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)[C@H]1C(=O)Nc1nc(-c2cccc(F)c2)cs1 101186958 UGWUYKDCXVWABE-UKRRQHHQSA-N 436.490 1.909 0 40 IDAB Cc1ccc(C)c(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(=O)(=O)N(C)C)c1 225258400 ACGZTIOMWCFPDI-QGZVFWFLSA-N 433.530 1.872 0 40 IDAB CN(Cc1ccc(F)cc1)[C@H]1CN(CC(=O)Nc2ccc3c(c2)oc(=O)n3C)C[C@@H]1O 257278514 OCOCDHGHSPLNCO-OALUTQOASA-N 428.464 1.386 0 40 IDAB CCn1c(C)nc2cc(C(=O)N[C@H]3CCC[C@H](n4cnc5c(N)ncnc54)[C@H]3O)ccc21 257281966 ORTMEFQZAPRKFB-FNHZYXHNSA-N 434.504 1.971 0 40 IDAB CCN(CC)CCCNC(=O)c1nc([C@H]2CCCN(S(C)(=O)=O)C2)n2ccccc12 306142904 XNVOXHSSEFPUBC-KRWDZBQOSA-N 435.594 1.935 0 40 IDAB O=C(O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Br 408590121 GEGTUUSVKDBMEM-YCRREMRBSA-N 433.598 1.543 0 40 IDAB Cc1cc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)no1 408655945 DRGUQSPVJIFQFM-GOSISDBHSA-N 433.420 2.372 0 40 IDAB CO[C@H]1CN(C(C)=O)CCCN(Cc2ccc(F)cc2)CCCCOC[C@H](O)[C@@H]1O 643550384 FQAZQECAPDQIJO-FKBYEOEOSA-N 426.529 1.414 0 40 IDAB Cc1nnc2ccc(N3CC(N(C)C(=O)c4ccc(=O)n(Cc5ccc(F)cc5)n4)C3)nn12 1565523864 ZCGAXWZUAZOWLU-UHFFFAOYSA-N 448.462 1.138 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5cccc(C)c5)C[C@@H]4C3)ncnc21 1888944362 ABWZZWIPPBQKMI-IRXDYDNUSA-N 442.545 1.538 0 40 IDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nc(-c2cccnc2)nc2ccccc12 3386017 JHGNZRLRBYOTKT-MRXNPFEDSA-N 425.514 1.821 0 40 IDAB Cc1occc1-c1nnc(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)n1N 9585541 IYLXSOZALYMEDE-ZDUSSCGKSA-N 427.552 1.324 0 40 IDAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)N(C)CCc1ccncc1 11859313 MITHJNWTTLKWJP-UHFFFAOYSA-N 437.543 1.628 0 40 IDAB Cc1cc(C(=O)N2CCC(c3nc(N4CCOCC4)ncc3S(C)(=O)=O)CC2)on1 12133481 LGXHCYCLNCGTQM-UHFFFAOYSA-N 435.506 1.033 0 40 IDAB CCn1ccc(=O)n(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1=O 13009724 ICOPATJNSWPKKD-PTNGSMBKSA-N 446.460 1.022 0 40 IDAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 13564828 UABZIKDESHEDDS-UHFFFAOYSA-N 433.486 1.960 0 40 IDAB Cc1nn(C(C)C)cc1S(=O)(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(C)C(=O)CC3)C1 19739012 MDRPSMMXICGLHR-OAHLLOKOSA-N 432.550 1.958 0 40 IDAB COc1ccc(NS(=O)(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1OC 21010283 LNHYBGHJTABLAP-CQSZACIVSA-N 429.520 1.678 0 40 IDAB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2)Nc1nccs1 22909142 BLODGNGFYCWGMX-UHFFFAOYSA-N 435.575 1.642 0 40 IDAB CN(C)[C@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccsc1 23133230 XIOLOGABOGDALZ-QGZVFWFLSA-N 438.575 1.147 0 40 IDAB COC(=O)C1CCN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 32910273 XZZBOEUQEPLCNT-UHFFFAOYSA-N 431.272 1.678 0 40 IDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 35388154 IEQWMTDQVYLBAZ-SFTDATJTSA-N 441.553 1.115 0 40 IDAB CC1=NN(c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)cc2)CC1 40134199 OCCBBJSPMOSRPO-UHFFFAOYSA-N 445.501 1.111 0 40 IDAB COc1ccc(CCNC(=O)CN2CCC(NC(=O)c3cc(C)no3)CC2)cc1OC 58171950 HSTSOGZTHHWTGP-UHFFFAOYSA-N 430.505 1.553 0 40 IDAB CCN(CC)CCN(CCOCCO)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 95444576 HUAKFQZWJUYFSW-UHFFFAOYSA-N 445.582 1.165 0 40 IDAB CCC[C@@H](C(=O)NC1CCCC1)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)Nc2cc(C)on2)[C@@H]3C1=O 100436349 OTJCTTXTJXFQQX-GDGSROGVSA-N 442.516 1.931 0 40 IDAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223482829 VTTQUBCTDYIJHR-GOSISDBHSA-N 443.525 1.427 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)cc1OC 409206339 UYKFILLNOABSMS-UHFFFAOYSA-N 434.514 1.882 0 40 IDAB C[C@@H](O)[C@H](N)C(=O)N1CCC2(CCCCCc3ccccc3OCCN(C)C2=O)CC1 643560908 MBVOOUPKORMAPR-NQIIRXRSSA-N 431.577 1.957 0 40 IDAB CC(C)(C)S(=O)(=O)c1ccc2nn(CC(=O)N3CCCc4ccccc43)c(=O)n2n1 1775966999 ASDFLJGTKDPYIJ-UHFFFAOYSA-N 429.502 1.443 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888930695 UKWAALRAGQFBPR-CHWSQXEVSA-N 434.909 1.543 0 40 IDAB CC1(C)[C@]2(C(=O)NCCCNC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)CC[C@@]1(C)C(=O)O2 2092540 XGRKUKXYQLTUHB-ZCQNZVIGSA-N 434.533 1.853 0 40 IDAB biogenic Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(Br)cc1 2347375 KJQBIQMIWGJDLG-UHFFFAOYSA-N 432.278 1.592 0 40 IDAB COc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1OC 2629826 KEXVDKFCLMKMBW-UHFFFAOYSA-N 438.477 1.794 0 40 IDAB CCOCCn1c(=O)c2c(nc3n(Cc4ccc(OC)cc4)c(C)c(C)n23)n(C)c1=O 4314084 BDNQSYBGUAQDKJ-UHFFFAOYSA-N 425.489 1.860 0 40 IDAB CCOCCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4OC)c(C)cn23)n(C)c1=O 8709695 FJONPAVVHYVKJX-UHFFFAOYSA-N 427.461 1.501 0 40 IDAB Cc1nc2scc(C)n2c(=O)c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 8931838 COWTZEZRTBQZAX-UHFFFAOYSA-N 448.526 1.646 0 40 IDAB O=C(COc1cccc(-n2cnnn2)c1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9366559 AJYQCMGBMJQMGL-GOSISDBHSA-N 427.486 1.257 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5cccc(OC)c5)C(=O)[C@H]24)O3)CC1 9410136 CYBWPEYKLISFFX-CROMWVBPSA-N 441.484 1.282 0 40 IDAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 9671976 JXYWXPBXCTVQLN-UHFFFAOYSA-N 442.482 1.688 0 40 IDAB CCOCCN1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(CCOCC)c(=O)n1C 9707538 XSQHPHCGMBHACO-UHFFFAOYSA-N 440.504 1.194 0 40 IDAB O=C(NCc1ccc(N2CCOCC2)nc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 9809068 KMTQBSWPGALCEA-UHFFFAOYSA-N 439.516 1.674 0 40 IDAB O=C1c2ccccc2C(=O)N1CCC(=O)N(CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 10212913 KLUZRGIEQSSQPB-GOSISDBHSA-N 440.521 1.931 0 40 IDAB Cn1cnnc1SCc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)OCCO3)co1 10220369 SBUCYJDDLNYDID-UHFFFAOYSA-N 430.442 1.849 0 40 IDAB COC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 12657638 ADMJLYBDWQKZEB-SJORKVTESA-N 447.488 1.134 0 40 IDAB biogenic COc1cc(Br)c(S(=O)(=O)N(C)CC(=O)NCC(F)(F)F)cc1OC 13018695 WYKLZLVURHNMNX-UHFFFAOYSA-N 449.245 1.765 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 14158066 LBLNWNVGUJBDTB-MRVPVSSYSA-N 434.396 1.130 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1 15270139 APEVCCMVFYPDMP-UHFFFAOYSA-N 426.292 1.855 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 16026187 NOQMWPSDBROJAC-NARGUJOISA-N 432.480 1.099 0 40 IDAB biogenic Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NCCN3CCCC3)CC1)NC2=O 19219582 AIUODJDXHFRTNV-UZUQRXQVSA-N 427.549 1.460 0 40 IDAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)cc1 20635742 MOPMVQHTKKZRKW-AWEZNQCLSA-N 440.460 1.137 0 40 IDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 22704478 VIBQUUYLGSNWJY-KRWDZBQOSA-N 438.594 1.528 0 40 IDAB Cc1ccccc1-n1ccnc1SCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22738790 GDCIFVNJUTZQIA-KRWDZBQOSA-N 434.587 1.604 0 40 IDAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23135086 HTTMUSVOIMPLBH-UHFFFAOYSA-N 438.435 1.586 0 40 IDAB COc1ccc(-c2nn(CCC(=O)O)cc2/C=C2/C(=O)NC(=S)N=C2O)cc1OC 25159168 XPEFLRDEACRDKG-UHFFFAOYSA-N 430.442 1.797 0 40 IDAB O=C(NCCCN1CCN(c2ncccn2)CC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 31906478 WOPQIIXAPSDSGI-QGZVFWFLSA-N 442.951 1.811 0 40 IDAB O=C(NCCNc1ncccn1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 32913203 BDDOVHIKLPNTFP-UHFFFAOYSA-N 429.546 1.594 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(F)cc2F)c1=O 32958168 RYGQXYIYZJPHOS-UHFFFAOYSA-N 437.447 1.146 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nn(C)c3c2[C@H](c2ccco2)CC(=O)N3)cc1 35597889 UNSJUADFTLBSGM-AWEZNQCLSA-N 443.485 1.990 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccccc3Br)CC2)C[C@@H](C)O1 40086121 LIMBIHZNBHZACT-GASCZTMLSA-N 432.384 1.921 0 40 IDAB C[C@@H](Sc1nncs1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 40134988 PCEYZPSJMKIWOU-SNVBAGLBSA-N 434.515 1.830 0 40 IDAB COCc1nn2c(C)c(C(=O)N3CCOCC3)nnc2c1-c1ccc(OC)c(OC)c1 40372694 VAIYHUOPEBCBJU-UHFFFAOYSA-N 427.461 1.736 0 40 IDAB CCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccn(C)c3=O)CC2)cc1C 43959954 FMCKHWDBVRZJTA-UHFFFAOYSA-N 447.557 1.923 0 40 IDAB CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)c1 49390848 SXGBVKJVHQREEX-UHFFFAOYSA-N 446.485 1.710 0 40 IDAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 89794416 CDXXPWQTDPUNHN-WBVHZDCISA-N 436.534 1.088 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(S(N)(=O)=O)ccc21 100877441 LVOWVKWDWIFYHX-VZCXRCSSSA-N 449.510 1.663 0 40 IDAB C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 105347906 JDIRXVFLIVGBPN-BYWWRHNPSA-N 443.862 1.781 0 40 IDAB CCSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)s1 224287387 LRXVHZIGNPJVIK-UHFFFAOYSA-N 432.549 1.927 0 40 IDAB COc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 224494720 RVEKOIDHBOFUGW-UHFFFAOYSA-N 434.514 1.833 0 40 IDAB CS(=O)(=O)N(CCCC(=O)N1CC(=O)Nc2ccccc21)c1ccc2c(c1)OCCO2 225270217 DGXICRRQIFPTMW-UHFFFAOYSA-N 445.497 1.989 0 40 IDAB COc1cccc(CN2CC[C@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)c1 306139970 UFOJKALTRPKMQF-QFIPXVFZSA-N 439.541 1.774 0 40 IDAB Cc1noc(C)c1C(=O)N1CC[C@@]2(CCc3nnc(C(=O)NCCN(C)C)n3CC2)C1 585106774 DWDPWXVSFHHZOW-OAQYLSRUSA-N 429.525 1.043 0 40 IDAB CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1=O 643555721 DIQDDYGCBIVCEG-XMMPIXPASA-N 429.561 1.944 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)C5CCCCC5)C[C@H]4C3)ncnc21 1888906410 KYFMLTDLNWJOEI-IYBDPMFKSA-N 434.566 1.503 0 40 IDAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c(=O)n(C)c1=O 2622081 PDPXPSFGKVOGSM-UHFFFAOYSA-N 425.441 1.684 0 40 IDAB COC(=O)c1cc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc(C(=O)OC)c1 3497541 ZGPNSYYSKCJJRU-KRWDZBQOSA-N 429.381 1.582 0 40 IDAB O=C(Cc1ccccc1)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 3623111 OAFSPDBCOWXMSS-FQEVSTJZSA-N 444.369 1.594 0 40 IDAB COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCC(C)CC1 6148922 NMAPKVWHIZMFHZ-FQEVSTJZSA-N 442.520 2.000 0 40 IDAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(OC(F)F)cc2)c(=O)n(C)c1=O 8937610 PLDMMUSZXINTKP-UHFFFAOYSA-N 425.388 1.426 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)CNc2ccc(I)cc2)cc1 9255273 WBECPXVUMDWUHY-UHFFFAOYSA-N 431.255 1.989 0 40 IDAB O=C(NCc1cccnc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 10219934 KIZPWARMSKCMKU-UHFFFAOYSA-N 445.888 1.604 0 40 IDAB CC(C)CC(=O)Nc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 10806999 QMFYDWGMHAMCRP-UHFFFAOYSA-N 431.880 1.955 0 40 IDAB NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccccc2)c2cccc(F)c2)c1N 12472615 JURSJAQTAGKNKS-UHFFFAOYSA-N 427.461 1.927 0 40 IDAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12946329 OZXOZJXDCDEUNF-UHFFFAOYSA-N 429.420 1.400 0 40 IDAB COCCn1cnc2c1c(=O)n(CC(=O)Oc1ccccc1)c(=O)n2Cc1ccccc1 13059619 CVUWRSACPKXOPS-UHFFFAOYSA-N 434.452 1.660 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NCc1ccc2c(c1)OCO2 13096640 XCAXJURVYPBSBK-UHFFFAOYSA-N 435.477 1.177 0 40 IDAB CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 13513661 KROXGCORYSHQFW-CABCVRRESA-N 431.580 1.252 0 40 IDAB Cc1cccc([C@@H]2N=C(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)N=C(N)N2)c1 13578880 FAEZBHSYDCFKNR-INIZCTEOSA-N 432.531 1.287 0 40 IDAB CCS(=O)(=O)N1CC[C@@H](c2nc(O)c3c(n2)CCN(Cc2ccc(OC)cc2)C3)C1 19520255 OGGWXFQSGQMBEW-MRXNPFEDSA-N 432.546 1.888 0 40 IDAB Nc1cc(N)nc(S[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 20198377 AHVSAGISFNVUIQ-MRXNPFEDSA-N 430.515 1.761 0 40 IDAB COc1ccc(N(CC(=O)NCc2ccc(OC)c(OC)c2OC)S(C)(=O)=O)cc1 22332474 PLZYGHDXTIKRCN-UHFFFAOYSA-N 438.502 1.803 0 40 IDAB COc1ccc([C@@H](CNC(=O)CN2C(=O)COc3ccccc32)N2CCOCC2)cc1 23805953 AUJOSSNBWXCGOZ-HXUWFJFHSA-N 425.485 1.610 0 40 IDAB CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCN(C(=O)OCC)CC1)OCO3 34847957 XZXUMBXBMDVTQG-UHFFFAOYSA-N 446.460 1.786 0 40 IDAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 40119090 ZAZLUWBMUHIDEM-UFYCRDLUSA-N 426.941 1.728 0 40 IDAB CCNS(=O)(=O)c1cccc(C(=O)N2CCCc3c(NS(C)(=O)=O)cccc32)c1 40135066 ZMCKWCOHJCYZRY-UHFFFAOYSA-N 437.543 1.949 0 40 IDAB CCOC(=O)c1nc(CN2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cs1 40153954 TZDYPWCFHAVAKH-UHFFFAOYSA-N 430.596 1.947 0 40 IDAB COc1ccccc1C(=O)N1CCN(CCNC(=O)c2nc(O)c3ccccc3n2)CC1 44892491 PICOOSQOHDSKER-UHFFFAOYSA-N 435.484 1.532 0 40 IDAB COCc1cc(=O)n(CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c(N2CCOCC2)n1 67319471 SDXBXXYYCWWEFJ-HNNXBMFYSA-N 446.504 1.121 0 40 IDAB COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCN(c2ccccn2)CC1)C(=O)O 71282637 CEAUVEBGJXBDDC-AWEZNQCLSA-N 432.502 1.781 0 40 IDAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](Cc3ccccc3)C(=O)O)n2)cc1OC 71328800 VYTVVDSDIJEJEF-GOSISDBHSA-N 437.452 1.740 0 40 IDAB CS(=O)(=O)c1cnc(-c2ccccn2)nc1C1CCN(C(=O)CCn2cccn2)CC1 72335845 VBHRYEJECDRJSG-UHFFFAOYSA-N 440.529 1.935 0 40 IDAB COc1ccc(C[C@@H](CO)CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1O 79076240 RVCIJMFYTOFEEK-MRXNPFEDSA-N 441.459 1.975 0 40 IDAB Cc1ccc(-n2nccc2NC(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)nn1 95461272 BKJBHZZSARWJJK-OAHLLOKOSA-N 441.517 1.160 0 40 IDAB O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3)CC2)O1 96243600 LBVKVUNVDFGBSP-SFHVURJKSA-N 430.530 1.488 0 40 IDAB Cc1ccc(NC(=O)Cn2nc3c(S(=O)(=O)N4CCCCC4)cccn3c2=O)cc1 96511500 USRFQPJEOILUAS-UHFFFAOYSA-N 429.502 1.618 0 40 IDAB Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCCN(C)C)CC4)c3CO2)cc1 97943775 YCTZDNWBVATLGO-FQEVSTJZSA-N 440.548 1.388 0 40 IDAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 223530525 MHSUEOIORDAKOS-GOSISDBHSA-N 446.573 1.853 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(F)cc1 224549213 ZKEMSWZWLIKISI-UHFFFAOYSA-N 435.521 1.740 0 40 IDAB Cc1n[nH]c(SCCNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)n1 226020859 CDADQKWCJKMJEQ-UHFFFAOYSA-N 448.368 1.405 0 40 IDAB CCN(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)S(=O)(=O)c1ccccc1 226054077 YZRKRARHHYHRKE-UHFFFAOYSA-N 439.559 1.895 0 40 IDAB C[C@@]1(O)CCN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)C[C@H]1n1ccc(O)nc1=O 257277609 NYSJYUROXRNSLZ-FZKQIMNGSA-N 437.378 1.682 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3cccc(F)c3)C2)cs1 306132710 LPWBPSQCJONSGY-OAQYLSRUSA-N 427.505 1.905 0 40 IDAB COc1ncccc1CN1CC[C@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 306134700 NVMOJHGWZYUXJS-NRFANRHFSA-N 425.514 1.466 0 40 IDAB O=C(c1ccoc1)N1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@@H]2C1 306144488 ZGMOFTDRBPVEQQ-IAGOWNOFSA-N 426.454 1.546 0 40 IDAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cc(C)on4)c3)C(=O)[C@H]12 408663858 OZGJHJAPAUYPAX-ZXUOCUECSA-N 435.436 2.480 0 40 IDAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N1CCC(C(N)=O)CC1 408677819 RTCMDPBCWGQFFY-UHFFFAOYSA-N 431.514 1.899 0 40 IDAB COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524730022 RLEFMLGVDJMLTI-MRXNPFEDSA-N 446.456 1.029 0 40 IDAB biogenic CCS(=O)(=O)N1CCC(CNC(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 544479718 DXCOFQRVYWBJEV-IBGZPJMESA-N 427.542 1.377 0 40 IDAB C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@](C)(O)c3cccc(F)c3)cn2)C[C@@H](C)O1 1623184535 XTGNAGCUMIVWKJ-PZPWOCDFSA-N 433.484 1.687 0 40 IDAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 8843435 CTRANMPOYHMYAR-QJKHOBJASA-N 426.473 1.671 0 40 IDAB NC(=O)Cn1nnc(-c2ccc(OCc3cc4c(cc3Br)OCO4)cc2)n1 9130376 OINRFRHGMPFNFX-UHFFFAOYSA-N 432.234 1.896 0 40 IDAB COc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc4c(c1)CCC4)CN=3)C(=O)N2 9410066 IYTKBGGVYSLWSY-VXPUYCOJSA-N 432.505 1.613 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCC(C)C)cc1C 9577421 SDHZGXACCBBJPA-SFHVURJKSA-N 441.550 1.019 0 40 IDAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1 9707649 SLFHAJJDGRBMBP-UHFFFAOYSA-N 435.483 1.861 0 40 IDAB COC(=O)c1c(NC(=O)COC(=O)c2nc3nccc(C)n3n2)sc2c1CCCC2 9963826 IQPRWNIRVBMJLL-UHFFFAOYSA-N 429.458 1.955 0 40 IDAB COc1ccccc1CCNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 10221036 JCOUMBMEYDANOR-UHFFFAOYSA-N 431.514 1.705 0 40 IDAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 10256465 WTASUGCYSHFMBL-UHFFFAOYSA-N 443.467 1.961 0 40 IDAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCN(c2ccccc2F)CC1 12089345 FDGPMMYAKVPNNE-UHFFFAOYSA-N 447.474 1.102 0 40 IDAB CCOc1ccc(CCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OCC 12798603 HECCGYJNPJQHMZ-UHFFFAOYSA-N 432.498 1.987 0 40 IDAB CSc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 12904398 LWWHXUXIJPYQRF-UHFFFAOYSA-N 436.559 1.885 0 40 IDAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)NCc1ccccc1 12912101 FOOUEXNONFEMRA-UHFFFAOYSA-N 434.493 1.158 0 40 IDAB COc1ccc(N(Cc2cccs2)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 16680219 LKLQGGPLLNLBHT-UHFFFAOYSA-N 439.497 1.737 0 40 IDAB COc1ccc(C(=O)Cc2nc3nnc(N)n3nc2CC(=O)c2ccc(OC)cc2)cc1 16942958 DEQDTLCMFRECDF-UHFFFAOYSA-N 432.440 1.970 0 40 IDAB O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C[C@@H]2CCCO2)CC1 19292035 BAFYVYMMJBKAMP-PMACEKPBSA-N 443.592 1.082 0 40 IDAB COc1ccc2c(c1)CCN(C(=O)CN1CC[C@]3(CCC1=O)NC(=O)c1cccnc1N3)C2 19562548 JLXCITJXWMSSAQ-DEOSSOPVSA-N 449.511 1.539 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)CC1 19572299 NZTCZECYJBAZJS-QGZVFWFLSA-N 431.518 1.167 0 40 IDAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN3C(=O)CNC(C)=O)nc21 19744260 NIMIVJJIXCOVEH-SFHVURJKSA-N 437.500 1.683 0 40 IDAB O=C(NCCN1CCN(C(=O)c2cccs2)CC1)C(=O)NCc1ccc(Cl)cc1 19831497 YYHVOFXXZJNLDR-UHFFFAOYSA-N 434.949 1.592 0 40 IDAB C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCCC1 20822218 GORPBNYZKORCSS-BMIGLBTASA-N 439.317 1.187 0 40 IDAB COc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)c(OC)c1 22229303 IEBSAYHQRPFFSJ-UHFFFAOYSA-N 449.529 1.688 0 40 IDAB Cn1cnc2c1c(=O)n(CCCSc1ccc(C(=O)N3CCCC3)cn1)c(=O)n2C 32752768 RXHAALKBKOOWFU-UHFFFAOYSA-N 428.518 1.247 0 40 IDAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(CC(=O)N3CCCC3)CC2)c2ccc(F)cc21 36356879 YGWIPOIYLUPEAI-OAQYLSRUSA-N 446.479 1.231 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2c(C)[nH]c(=O)[nH]c2=O)o1 36708467 NMTLIGOIOQCARE-UHFFFAOYSA-N 445.457 1.253 0 40 IDAB Cc1oc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N1CCCC1 40143748 RNHQHWFCUVGUHW-UHFFFAOYSA-N 430.486 1.881 0 40 IDAB COc1cc(CC(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)N3)cc(OC)c1OC 40153004 ZVESTLMYLLLUJI-UHFFFAOYSA-N 431.533 1.996 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3nc(-c4cccs4)no3)C2)CC1 62022943 VKIAZWPSDGYDIN-AWEZNQCLSA-N 439.563 1.114 0 40 IDAB COCCS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1 79016113 DZAPTKGWRPCUAI-LJQANCHMSA-N 444.509 1.506 0 40 IDAB CC(C)CCn1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc2c1=O 79502111 FGNRURBJYPDWTC-GOSISDBHSA-N 445.585 1.993 0 40 IDAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 95101152 HLORHOWZWQKXIN-YEDAQQCQSA-N 434.529 1.433 0 40 IDAB O=C(NC[C@H]1CCCO1)[C@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 96243808 GAOMFXMGXQWKBP-QZTJIDSGSA-N 431.537 1.520 0 40 IDAB CC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 100062850 ZMYVXNQBLJFNRP-GOSISDBHSA-N 449.916 1.711 0 40 IDAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1COc2ccccc2O1 224292677 QGKFSMGAKJDEOR-FQEVSTJZSA-N 432.498 1.806 0 40 IDAB C[C@H]1CN(CCCc2nnc(CCCN3C[C@@H](C)N[C@H](C)C3)n2-n2cccc2)C[C@@H](C)N1 225153366 ZKUCFLTXOFGCFM-YSFYHYPLSA-N 442.656 1.621 0 40 IDAB CC(C)NC(=O)N1CC[C@]2(CCn3cc(C(=O)NCc4ccc(F)cc4)c(=O)nc32)C1 306126250 DQVIWUGQYVCMMN-JOCHJYFZSA-N 427.480 1.778 0 40 IDAB Cc1ccc(CN2CCC3(CC2)Cc2nc4c(c(=O)n2C3)CN(S(C)(=O)=O)CC4)s1 306136938 QHCASIUPPUKJDK-UHFFFAOYSA-N 448.614 1.769 0 40 IDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C 408607619 NIZYQWMZYMRTHX-ZDUSSCGKSA-N 441.531 1.347 0 40 IDAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)c1 408650569 BPTAIKXDGNJTGS-QGZVFWFLSA-N 437.452 1.873 0 40 IDAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2)c1 409379094 VJGPUIIINPHOBI-UHFFFAOYSA-N 431.514 1.899 0 40 IDAB C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@@H]3[C@H]1CCC2=O 514252358 FJAZVHYPASAQKM-UMIWGBLDSA-N 446.496 1.383 0 40 IDAB Cn1nccc1-c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 575622512 ZHKUAHQCIOJBGW-UHFFFAOYSA-N 441.513 1.433 0 40 IDAB CCN1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 585168869 VRIBECTWASLRIZ-SFTDATJTSA-N 448.523 1.944 0 40 IDAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)N1CCC(O)CC1)C2 643575900 QISINLTXDVIWKY-UHFFFAOYSA-N 433.549 1.550 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(Cc1cncn1C)C2 1549168330 VBVZJVPKOLSSFA-NRFANRHFSA-N 437.544 1.481 0 40 IDAB Nc1c(Br)cc(S(=O)(=O)N(C[C@@H]2CO2)C[C@@H]2CO2)cc1Br 864239 WNHUKSCLSZCIGE-HTQZYQBOSA-N 442.129 1.582 0 40 IDAB CCOC(=O)[C@@H]1[C@H](c2cn(-c3nc(C)cc(C)n3)nc2C)NC(=O)N[C@]1(O)C(F)(F)F 1480258 OFEIUHZNGSZWKK-GDZNZVCISA-N 442.398 1.372 0 40 IDAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 4195444 MNMVEWPWCMIJJM-UHFFFAOYSA-N 434.514 1.454 0 40 IDAB CCC[C@]1(C(=O)OC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 8036073 YITHMDNOIAFBJL-SVQXRNPESA-N 434.489 1.690 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)N1CCCc2ccccc21 9001559 YNNXZZMGTOGYHO-UHFFFAOYSA-N 427.464 1.981 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 9138664 KABVLXVZTSDFCD-OAHLLOKOSA-N 441.575 1.679 0 40 IDAB COc1cc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc(OC)c1 9674863 YRIQNYYRZFVXLA-MSOLQXFVSA-N 427.392 1.775 0 40 IDAB COC(=O)CCn1c(=O)c2c(nc3n(Cc4ccc(OC)cc4)c(C)cn23)n(C)c1=O 9713003 XURUXPCQKWPHGE-UHFFFAOYSA-N 425.445 1.078 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 9871542 WBXHDUAPULOLAW-UHFFFAOYSA-N 430.530 1.937 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H](c3nc4ccccc4s3)C1)c(=O)n2C 9950066 QVRVKFUBPOTMHO-CYBMUJFWSA-N 438.513 1.450 0 40 IDAB CC(=O)Nc1cccc(NCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 12523467 DXEKXFRQMPPJEA-UHFFFAOYSA-N 434.493 1.729 0 40 IDAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cn1cnc2c(cnn2C)c1=O 12782927 BYMBJIHINDFFEU-UHFFFAOYSA-N 427.852 1.069 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 12804220 LZQXPEKVQAUEAK-HUUCEWRRSA-N 445.497 1.566 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc3c(c2)OCCO3)cc1 14244187 CUCVXGUFDHLKMC-UHFFFAOYSA-N 433.486 1.353 0 40 IDAB C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16033981 BBRJAESPJYCZMT-CFXBOMGRSA-N 427.407 1.266 0 40 IDAB CC(C)S(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19451106 YOIYGFAZJDGJFV-SFHVURJKSA-N 445.545 1.629 0 40 IDAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CCn3cccn3)[nH]c2=O)C1 19501651 GSTXBSVZKUYLHF-GOSISDBHSA-N 426.521 1.795 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccccn3)[nH]c(=O)c2C1 19520398 ZDMKPSNWGKAHIB-GOSISDBHSA-N 445.545 1.169 0 40 IDAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)[C@H]2CCC(=O)N2)CCO1 19580562 WZQJORJTQNILHJ-PXDATVDWSA-N 435.524 1.861 0 40 IDAB COCCN1C[C@H](c2cc(N(C)C)nc(C3CCN(C(=O)C(C)(C)OC)CC3)n2)CC1=O 19697466 KYKBESPGFZILDL-QGZVFWFLSA-N 447.580 1.636 0 40 IDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1 22916902 VBEWWWCEQXBAIN-MOPGFXCFSA-N 441.576 1.769 0 40 IDAB Cc1cc(=O)c(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)nn1-c1ccccc1 24776633 CMDIGEOXHMRMST-UHFFFAOYSA-N 442.483 1.479 0 40 IDAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 25077000 LZYBPCFJNOHHBT-UHFFFAOYSA-N 438.406 1.777 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(Cc3cc(C)no3)CC2)C(C)C)cc1 40013317 NHGZPTVNQKKCDP-FQEVSTJZSA-N 434.562 1.939 0 40 IDAB Cc1nonc1CN1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3cc(F)ccc23)CC1 40267364 QJNWPSQLCRSENU-IBGZPJMESA-N 431.424 1.500 0 40 IDAB C[C@H](C(=O)NCCc1ccccc1F)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326367 PPHVNMZMDSFLHS-IQMFZBJNSA-N 439.491 1.832 0 40 IDAB Cc1nonc1C(=O)NCC(=O)N1CCN(C)C(=O)[C@@H]1Cc1ccc(-c2ccccc2)cc1 72351389 ZGWSBMHXJFPLPO-FQEVSTJZSA-N 447.495 1.687 0 40 IDAB CC(=O)N1CCc2nc([C@H]3CCCCN3CC(=O)N3CCCCC3)nc(N(C)C)c2C1 72372321 WCZZKCXHPMOFTP-HXUWFJFHSA-N 428.581 1.987 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2ncccn2)cc1 84012329 LJJJZNXXBZTWCM-ZDUSSCGKSA-N 430.490 1.925 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)CC1 96024332 HMSGAZKJSMDVPI-UHFFFAOYSA-N 438.531 1.545 0 40 IDAB COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c(O)nc2ccccn2c1=O 96115745 OODYZWFYFUCWCM-LBPRGKRZSA-N 435.392 1.665 0 40 IDAB biogenic CC(C)CN(C)C(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2 96266280 QSSBRRPVNXAPDD-UHFFFAOYSA-N 433.534 1.193 0 40 IDAB COc1cc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc(OC)c1 101174294 YRIQNYYRZFVXLA-ZWKOTPCHSA-N 427.392 1.775 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 222676252 HFPSASVOBWISNS-UHFFFAOYSA-N 433.477 1.812 0 40 IDAB CC[C@H](C)N1CCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)CC1 248238755 NOAFMJJIPHLCKV-LLJLJFOGSA-N 442.560 1.849 0 40 IDAB NC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc(N2CCOCC2)cc1 257270948 MWGZBPVYBJHOEF-JOCHJYFZSA-N 437.544 1.133 0 40 IDAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)CN4CC(=O)NC4=O)CC3)n2n1 257299892 RSCBMJWJFBDJRA-SHTZXODSSA-N 426.521 1.969 0 40 IDAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(Cc1cccc(OC(F)F)c1)CC2 1772595414 UGVBNOFNYHJYAH-LJQANCHMSA-N 438.519 1.685 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1 8718204 RGHXEQPNVKFRBU-UHFFFAOYSA-N 427.486 1.423 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)O)C(C)C)CC2=O)cc1 8790219 IHWJGQUDIGPWGB-FNHZYXHNSA-N 431.489 1.265 0 40 IDAB biogenic O=C(Cn1c(NCCO)nc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9492930 NIDJGDXDPYFACQ-UHFFFAOYSA-N 443.529 1.864 0 40 IDAB Cc1nnc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1-c1ccccc1 9580730 ZRMWMXHICSPRKC-UHFFFAOYSA-N 431.543 1.674 0 40 IDAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 9609434 PGFDRTVEISPCCL-XLFHBGCDSA-N 428.488 1.401 0 40 IDAB Cc1ccc(S(=O)(=O)n2ccn(CC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1 9660478 HCFNGSOQGODWGB-UHFFFAOYSA-N 429.454 1.240 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2c1=O 9673538 MZOUVPTVUYMPJD-UHFFFAOYSA-N 426.448 1.438 0 40 IDAB COc1ccccc1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC 11858339 BHOHGQPGEFVQKJ-UHFFFAOYSA-N 426.472 1.571 0 40 IDAB CCn1cc(C(=O)NCC(=O)NCCc2ccc(O)cc2)c(=O)c2cc3c(cc21)OCO3 13609297 ZWHDQLCXGXZKFU-UHFFFAOYSA-N 437.452 1.544 0 40 IDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 14169590 SHILPIPNNNDQAF-AWEZNQCLSA-N 447.469 1.231 0 40 IDAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)CCN1CCOCC1)CC2 19710376 WWBXTDSSFFRPGG-LJQANCHMSA-N 430.553 1.199 0 40 IDAB Cc1noc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)n1 20936769 JZFSYOQYUQAWSD-UHFFFAOYSA-N 427.367 1.820 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccco1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 22607549 GECBPMWPXOXFKH-XWQURZDVSA-N 437.452 1.182 0 40 IDAB COCCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CCN(CCO)CC2)c1=O 22697650 KSCMAOPJRZPAKD-NRFANRHFSA-N 435.952 1.861 0 40 IDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22932158 VNKHEAZSXVELSL-UHFFFAOYSA-N 439.512 1.963 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2ccc(F)cc2)c(OC)c1 27914355 AGKJUCOXDJEDGY-UHFFFAOYSA-N 438.477 1.897 0 40 IDAB O=C(c1cc(F)cc(-n2cnnn2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 32646404 BFRNNOKZYZXHPA-UHFFFAOYSA-N 434.428 1.087 0 40 IDAB CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 40094802 WQNQBNSLEUFXQQ-HXUWFJFHSA-N 431.558 1.816 0 40 IDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCS2(=O)=O)c1 40286526 LVQZNTKFSDVMLO-INIZCTEOSA-N 438.550 1.164 0 40 IDAB C[C@@H](CCc1ccccc1)NC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520600 AODJEXJAPZNKRL-HNNXBMFYSA-N 441.557 1.894 0 40 IDAB CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1 72334964 FOEXZERNTOVZCP-OAHLLOKOSA-N 439.497 1.710 0 40 IDAB COC(=O)CNC(=O)c1cn(-c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccccc12 85879082 ZQWDGKCRBBSXOK-UHFFFAOYSA-N 426.425 1.919 0 40 IDAB biogenic C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC(O)(CN2CCOCC2)CC1 95459754 XDXOJUVIELCBEH-OAHLLOKOSA-N 426.355 1.935 0 40 IDAB CO[C@H]1CC[C@H](C(=O)NCCc2cc(N3CCN(C(C)=O)CC3)nc(C3CC3)n2)CC1 100733204 NOMMUZWQSLKXLW-PUZFROQSSA-N 429.565 1.886 0 40 IDAB O=C(NCCCN1CCOCC1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 101422720 ZBDPUCXJZDSDJN-MOXWOTFGSA-N 431.920 1.465 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCC(C)CC2)cc1OC 225193069 XSECLVABYQJHPI-UHFFFAOYSA-N 427.567 1.563 0 40 IDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)Cc2cc(F)ccc2F)CC1 225600153 YXZJSPDCTYRPAN-UHFFFAOYSA-N 448.517 1.531 0 40 IDAB COc1ccc(-c2noc(CNC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 225666738 NNCVVQNCKKZXNH-UHFFFAOYSA-N 446.485 1.836 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@@H]2[C@H](C(=O)NCc3cccs3)[C@H]3C=C[C@]21O3 245229795 FVPQTNDTWVLOFT-QTTDFFODSA-N 429.542 1.592 0 40 IDAB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257260989 LFIPHUNGUMBZOY-WOJBJXKFSA-N 430.526 1.362 0 40 IDAB CCN1CCN(C(=O)CN2CSCC2=O)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 257317867 VLNRERUDPGYHSN-FQEVSTJZSA-N 438.553 1.883 0 40 IDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)c(Cl)c1 408594892 RBGJIQSYZXBLMS-UHFFFAOYSA-N 433.958 1.102 0 40 IDAB C[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1 408616198 XDGHFGKKTHKKPQ-GJZGRUSLSA-N 429.448 1.693 0 40 IDAB O=C(O)c1cccc(CN2CC3(C2)CN(C(=O)Cc2ccccc2)C[C@H]2C[C@@H](O)CN23)c1 514288799 FBJZUTHTPMBRLZ-FGZHOGPDSA-N 435.524 1.459 0 40 IDAB biogenic,in-vitro O=C1NC2(CCCC2)C(=O)N1CCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 607725608 UIHJUYIVIVAGMI-UHFFFAOYSA-N 446.573 1.346 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@@H]4C3)ncnc21 1888944433 WTDFKZCWGBUMCM-GJZGRUSLSA-N 446.508 1.369 0 40 IDAB CCn1c(CCCC(=O)N2CC[C@@H](O)[C@@H](O)[C@H](N3CCOCC3)C2)nc2ccccc21 2037884029 ONSLQULBVDZPRD-VIZSFHNOSA-N 430.549 1.034 0 40 IDAB Cc1c(NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 3315791 GCNJCUUAOBHZNQ-IBGZPJMESA-N 447.495 1.976 0 40 IDAB CCOC(=O)Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1 3451046 ZZXNWSABDOCEFL-UHFFFAOYSA-N 440.547 1.322 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)ccc2c1=O 4766427 OYIVOZLPTTXLCD-QGZVFWFLSA-N 436.512 1.996 0 40 IDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(CC(=O)N2CCOCC2)s1 8966271 CNIPPEFENYZCFA-UHFFFAOYSA-N 433.486 1.066 0 40 IDAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9169994 BSWHTDMZVNIWPR-UHFFFAOYSA-N 434.499 1.118 0 40 IDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc2c(c1)OCCO2 9466180 ZPGSEYSEJCIKPS-GFCCVEGCSA-N 430.438 1.311 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 9639506 IPAHLLWFONFBNZ-LJISPDSOSA-N 430.457 1.872 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)NCc3ccccc3)C2=O)cc1Cl 9675052 QRQFQYWDQAJKGY-MSOLQXFVSA-N 427.848 1.958 0 40 IDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C3/C(=O)Nc4ccccc43)c(=O)n12 9971335 VBGOOFXCJVDNGT-BDMLJLJTSA-N 447.472 1.181 0 40 IDAB O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)Nc1ccc2c(c1)OCCO2 10218647 UOPFZBPPWQBUDG-NSHDSACASA-N 425.488 1.549 0 40 IDAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 10512428 HIXNNMJSUVGKLD-UHFFFAOYSA-N 441.531 1.941 0 40 IDAB CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O 12556303 KAFUEPKWLBRKLE-QGZVFWFLSA-N 436.534 1.361 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)c1 13566067 XCFOBRRIACEQTI-OAHLLOKOSA-N 447.513 1.842 0 40 IDAB O=C(c1cc(N2CCOCC2)ccn1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 14068745 LFBCYSWEVSLEJR-REZTVBANSA-N 442.541 1.677 0 40 IDAB CCCCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14075828 JGDNJLIFUUNFDV-UHFFFAOYSA-N 436.534 1.625 0 40 IDAB O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)CN21)NCc1ccccc1 15707805 GNHCVAMCVCGRPU-OTWHNJEPSA-N 441.557 1.908 0 40 IDAB biogenic,in-vitro COc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1OC 15716659 XLBCGAWHSVIVQG-UHFFFAOYSA-N 432.498 1.928 0 40 IDAB CCS(=O)(=O)N1CCc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2C1 17316595 IDTSFJPNOYEVHU-UHFFFAOYSA-N 427.482 1.629 0 40 IDAB CCc1onc(C)c1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2ccncc2)CC1 19521129 SHZYAQKNAQRFJO-UHFFFAOYSA-N 444.517 1.488 0 40 IDAB CC(C)OCC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 19693019 IBNAPZJQRVGGBT-SFHVURJKSA-N 427.505 1.633 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)CN2CCCC2)CCO1 19702952 PZSBVLPIUJBFJZ-INIZCTEOSA-N 432.546 1.668 0 40 IDAB CCOc1ccccc1-n1c(=O)[nH]c(O)c([C@H]2NCCc3cc(OC)c(OC)cc32)c1=O 20533320 WMAYRRXFEDSKDT-FQEVSTJZSA-N 439.468 1.882 0 40 IDAB O=C(NCCNS(=O)(=O)c1cccs1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 20723559 XFHXCSYVZOQIDJ-LBPRGKRZSA-N 427.935 1.849 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)CN2CCN(Cc3csc4ccccc34)CC2)CC1 22799156 UYASZZOFIMJSBZ-UHFFFAOYSA-N 436.603 1.123 0 40 IDAB CN1CCC(N2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccc(F)cc2)N3C)CC1 22922794 NYCKATYKMNRHMG-XJUOHMSHSA-N 445.583 1.189 0 40 IDAB biogenic,in-vitro O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 23247927 ZGPKMRJXUWLQLA-GOSISDBHSA-N 449.573 1.861 0 40 IDAB C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O)c1ccc2c(c1)OCCO2 23349064 HSXLJIMPXIGHJI-GFCCVEGCSA-N 443.485 1.764 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccccc1CN1CCOCC1)C2=O 23673900 CVZVQAFIRWGZSI-UZUQRXQVSA-N 428.533 1.636 0 40 IDAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nc2ccccc2c(=O)n1CCCO 25025604 ASLITCSGNIWPJN-UHFFFAOYSA-N 445.522 1.716 0 40 IDAB O=C(NCCCN1CCOCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 25285943 QYWFOUIRANTTRV-UHFFFAOYSA-N 429.970 1.967 0 40 IDAB O=CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 26109834 QMVTVMWFBUQXAE-CQSZACIVSA-N 448.372 1.836 0 40 IDAB COc1ccc(OC)c(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)c1 26533969 YOWSGQIZAKBRNI-WOJGMQOQSA-N 425.441 1.806 0 40 IDAB Cc1cc(N2C[C@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2=O)ccc1Br 32796003 KOXJQICJXYZBTB-SJKOYZFVSA-N 429.336 1.804 0 40 IDAB COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1F)C(=O)OC 36579815 JVLAOMGRSXSNLH-PBHICJAKSA-N 438.843 1.964 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC)C(=O)OC 36594801 RGJMHCAKKBGZKJ-BEFAXECRSA-N 430.461 1.570 0 40 IDAB biogenic CCS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(OC)cc3)nc3c2cnn3C)CC1 36613210 BTTSKMWISRMHQQ-UHFFFAOYSA-N 443.529 1.751 0 40 IDAB COc1cc(CNC(=O)C2CCN(C(=O)c3cn(C)nc3OC)CC2)cc(OC)c1OC 49030510 YZTUPDBAXWOPQE-UHFFFAOYSA-N 446.504 1.623 0 40 IDAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2N)cc1Cl 71771578 GCEGXCDYRHWUOO-UHFFFAOYSA-N 425.898 1.222 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1OC 72395559 DKWPUHOMFNIFRK-NQIIRXRSSA-N 430.482 1.709 0 40 IDAB O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(CCn2ccnc2)CC1 77099950 RNDXLFAFBJBSLJ-MRXNPFEDSA-N 446.349 1.843 0 40 IDAB Cc1cc(C)n(-c2ccc(C(=O)NCCNC(=O)c3ccc(NC(=O)C4CC4)cc3)nn2)n1 77197152 QLWPTYXDJDILBE-UHFFFAOYSA-N 447.499 1.787 0 40 IDAB CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccsc2)CC3)C1=O 96036545 UCEAMVRYHGZUQH-LJQANCHMSA-N 425.576 1.484 0 40 IDAB COC(=O)CN1CC2(CCN(Cc3cccnc3)CC2)COc2ccccc2S1(=O)=O 96145226 GTQVKMDLJPHUQN-UHFFFAOYSA-N 445.541 1.920 0 40 IDAB COc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)cc1 98213181 TZJNCABBTCUXHW-UHFFFAOYSA-N 425.420 1.487 0 40 IDAB O=C1CCCC(=O)N1CCS(=O)(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225736290 AEQCPGSPYJAQQV-ZDUSSCGKSA-N 435.424 1.422 0 40 IDAB O=C(NC1CC1)[C@H]1[C@@H]2C(=O)N(C3CCCC3)[C@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 245230511 TUORRBUWABAHCA-UFUUVDDWSA-N 427.545 1.807 0 40 IDAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)=O)CC1 257222373 DTBDPMCCEPPSKU-GRSYGWAWSA-N 429.561 1.833 0 40 IDAB COCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408775618 QRXXEOQFNRSFDK-UHFFFAOYSA-N 436.530 1.700 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1)c1ccccc1 409145724 PMMDZFMMIOEMQF-INIZCTEOSA-N 445.541 1.829 0 40 IDAB CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C 585261650 PEBGXEKAUULTES-XSXWSVAESA-N 428.577 1.870 0 40 IDAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)c3cc(C(F)(F)F)n(C)n3)cc2NC1=O 585281759 QWETUNLXZVZJBX-LLVKDONJSA-N 432.380 1.667 0 40 IDAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)N[C@H]1CCS(=O)(=O)C1 604418885 MFUGPRONNQXILA-DJJJIMSYSA-N 425.466 1.105 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 3404592 BUEMVZONFWPTJB-UHFFFAOYSA-N 437.543 1.682 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nc1 8705422 NTENRVAACWKHJL-FQEVSTJZSA-N 431.562 1.461 0 40 IDAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NN1C(=O)NC2(CCCCC2)C1=O 8753182 HMJXKSGZKJGYIS-UHFFFAOYSA-N 445.457 1.843 0 40 IDAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1S(=O)(=O)N1CCOCC1 9394855 JKNOEPZISAFMOO-INIZCTEOSA-N 447.513 1.596 0 40 IDAB Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 9577303 WALLNAMVYAQAKG-IBGZPJMESA-N 449.504 1.304 0 40 IDAB Cc1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)c(=O)n(-c2ccccc2)n1C 10188075 XJRLOXOIWAIFQI-AWEZNQCLSA-N 440.481 1.656 0 40 IDAB Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@H](O)COc2ccc(Cl)cc2)n(C)c1=O 10385962 MSPFBJXHVNAPOU-AWEZNQCLSA-N 433.896 1.127 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)c1C 11105526 QCGARBZXRRXYGP-LLVKDONJSA-N 438.458 1.502 0 40 IDAB Cc1nc2cc([C@H]3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nn2c(O)c1C 12134280 ZMGFSHRUFSDZMM-INIZCTEOSA-N 435.550 1.429 0 40 IDAB CCOC(=O)C1=C(COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)NC(=O)N[C@@H]1C 12846563 XITISLVDUZYLLG-ABZNLYFFSA-N 434.445 1.787 0 40 IDAB Cc1ccnc2nc(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CCN(C)CC4)cc3)nn12 12944990 FBHDHBQKKYABAS-UHFFFAOYSA-N 443.533 1.400 0 40 IDAB O=C(Nc1ccccc1C(=O)NCc1ccco1)C1=CN2CCS(=O)(=O)N=C2C=C1 12976544 IEDPBWFRFZQDFF-UHFFFAOYSA-N 426.454 1.646 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 13001506 HAPHOPDTCVADPU-CYBMUJFWSA-N 427.461 1.206 0 40 IDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 13029030 PSUUWIYTOIGZOK-HNNXBMFYSA-N 447.488 1.838 0 40 IDAB COc1ccc(C)cc1N(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccccc1 13566841 DBSTXQPXEJPWMU-UHFFFAOYSA-N 447.557 1.647 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)c1 14226480 DWGAOGXAIWEXAH-UHFFFAOYSA-N 433.505 1.705 0 40 IDAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2C)cc1 14252550 ORFUGQAPMRVFIY-HXUWFJFHSA-N 430.574 1.802 0 40 IDAB COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)cc1 15637971 ZZFKBDFOIIFQCY-UHFFFAOYSA-N 433.530 1.821 0 40 IDAB C[C@@H](NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O 15996876 ITTCLBHTTYJURL-CRAIPNDOSA-N 447.532 1.950 0 40 IDAB CCN(C(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc2ccccc12 16045629 SKOFJYGSOPOTFE-UHFFFAOYSA-N 449.467 1.183 0 40 IDAB Cc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 19209481 SRYUOWQPXMCILB-KRWDZBQOSA-N 444.557 1.345 0 40 IDAB O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19332080 LBVFURNYOVWUMN-OALUTQOASA-N 440.475 1.950 0 40 IDAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CCn3cccn3)[nH]c2=O)C1 19501650 GSTXBSVZKUYLHF-SFHVURJKSA-N 426.521 1.795 0 40 IDAB CCOc1ncccc1C(=O)N1CCC[C@H]2CN(C(=O)CCCN3CCCC3=O)C[C@H]21 19531485 BEKABIPAWQDXQP-PKOBYXMFSA-N 428.533 1.946 0 40 IDAB COCCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699637 YDBDKAVHHDHFEB-FQEVSTJZSA-N 442.560 1.643 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2ccnn2C)CCO1 19702913 CZGNJUUMLOGEPI-HNNXBMFYSA-N 429.502 1.620 0 40 IDAB COCCNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O 20467250 OYVFQZISHDIOIX-HKOCDWSSSA-N 432.565 1.797 0 40 IDAB biogenic,in-vitro CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCOCC2)c1=O)C[C@H](C)CC3 20590546 HPPFBOCWFQSDLW-CQSZACIVSA-N 435.546 1.245 0 40 IDAB O=C([C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccccc1)N1CCOCC1 21625195 HEYUUZOBMUAFRC-YOEHRIQHSA-N 437.543 1.739 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCN1CCOCC1 22688163 VAIBQNXBLZHQMD-UHFFFAOYSA-N 439.578 1.712 0 40 IDAB CN1CCN(CCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 22829685 UZYAZUZYAJLIQX-UHFFFAOYSA-N 437.393 1.513 0 40 IDAB O=C(COC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCCc1cccs1 23327834 OBTOOZVYISTSJG-QFIPXVFZSA-N 441.509 1.734 0 40 IDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1cc(C)on1 23486149 YTNMGCTYJQWHMQ-UHFFFAOYSA-N 435.433 1.358 0 40 IDAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 25404603 YIQLDXQBKAAOHW-UZLBHIALSA-N 444.532 1.518 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N2CCC(C(N)=O)CC2)c1 27772063 DLVDTZLJMQJBRP-UHFFFAOYSA-N 440.566 1.113 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)n(C)c1=O 28605114 FIKXKUFSYITSSE-UHFFFAOYSA-N 435.469 1.449 0 40 IDAB CC(C)NS(=O)(=O)c1cccc(C(=O)NC2CCN(CC(=O)N3CCCC3)CC2)c1 32934772 IVFDMIHCNXXCCW-UHFFFAOYSA-N 436.578 1.190 0 40 IDAB O=C(C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CCN(C[C@H]2CCCO2)CC1 33028363 UNJLJSKVYUROJF-GOSISDBHSA-N 446.573 1.171 0 40 IDAB Cc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCOCC3)c2=O)cc1Cl 67245860 UDSYZKQQHHVGAR-UHFFFAOYSA-N 425.894 1.470 0 40 IDAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)n1 72353697 GCHWQVMZJGAVHK-QGZVFWFLSA-N 438.532 1.774 0 40 IDAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 104812910 WHPCEMIWRPQORT-QBYUYEEZSA-N 426.560 1.917 0 40 IDAB Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1C 104895439 SWHDXEYRLIJMQB-GOSISDBHSA-N 430.592 1.204 0 40 IDAB NC1=C2C(=O)Oc3cc(O)ccc3[C@@H]2[C@@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]2S1 107165758 LBTMGQXXYSQZIH-IJEWVQPXSA-N 438.417 1.568 0 40 IDAB O=C(NCc1ccccc1)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O 225519533 VNEMDUSAWNAMTP-SGFSRKTBSA-N 439.459 1.029 0 40 IDAB biogenic,in-vitro CC(=O)OC[C@@H]1O[C@H](n2ccc3ccccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 245377422 LCOUBIHGTOPVKV-KGWSWXIGSA-N 447.440 1.897 0 40 IDAB COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2S(=O)(=O)N(C)C)nc1C 257208733 BNKNGXOSFWISEA-QGZVFWFLSA-N 433.534 1.667 0 40 IDAB CCN(CC)C(=O)CN1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 257245464 IPPXLMPLXUJVSI-LJQANCHMSA-N 440.548 1.550 0 40 IDAB O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2C(=O)CCN2C(=O)CCNC2=O)n[nH]1 257264785 LWAFFJXORJIPPP-KRWDZBQOSA-N 430.509 1.468 0 40 IDAB CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)s1 390830503 LMEPBMQTVVQTOM-KRWDZBQOSA-N 442.584 1.935 0 40 IDAB COc1ccc(C)cc1NC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1 408997831 JGDZFXGBXNHURU-UHFFFAOYSA-N 442.472 1.101 0 40 IDAB Cc1c(Cl)cccc1S(=O)(=O)NCc1nc(N(C)C)nc(N2CCOCC2)n1 575605749 DZNNFMOPKORRJQ-UHFFFAOYSA-N 426.930 1.215 0 40 IDAB CS(=O)(=O)N1CCN2CC(=O)Nc3cc(-c4ccc(F)cc4F)ccc3OC[C@H]2C1 1772594716 UKYQGILYDZYQEG-OAHLLOKOSA-N 437.468 1.909 0 40 IDAB Cc1nc(N2C[C@@H]3CN(C(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)C[C@H]3C2)nc(O)c1F 1888890885 PNYYPCPFLXPGSG-PMPSAXMXSA-N 425.464 1.577 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cccc(F)c5)C[C@@H]4C3)ncnc21 1888930526 LQXULKWQUXNLPC-HOTGVXAUSA-N 430.509 1.883 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3)CC1)C2=O 2620343 SHJPNYAEUYPBSN-UHFFFAOYSA-N 448.545 1.020 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)o2)CC1 2720466 GDLVBCRYHCCRLG-UHFFFAOYSA-N 434.474 1.901 0 40 IDAB CN(C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)[C@H]1CCS(=O)(=O)C1 8671325 XSTSUOQTIOGHPO-INIZCTEOSA-N 445.570 1.474 0 40 IDAB CCc1ccccc1NC(=O)CNC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9156472 MUNKMBDQWAUAKE-GOSISDBHSA-N 440.525 1.917 0 40 IDAB O=C(CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)Nc1cc(Cl)ccc1Cl 9314812 LSYWROANDHTQRL-UHFFFAOYSA-N 429.285 1.546 0 40 IDAB CN(C)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(Cl)c2)cc1 9562976 WAKGWALSVSLVRE-UHFFFAOYSA-N 425.894 1.866 0 40 IDAB COc1ccc(N(CC(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)cc1OC 10540559 TVVBPWZZLUAHAL-UHFFFAOYSA-N 427.567 1.708 0 40 IDAB C[C@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)N1CC2(CCOCC2)Oc2ccccc2C1=O 12086879 ZFUIBIVVKKTTJD-QRWLVFNGSA-N 436.530 1.152 0 40 IDAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)c2cccnc2)CC1 12133445 KOGIDENWGHUHDP-UHFFFAOYSA-N 431.518 1.132 0 40 IDAB O=C(CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1 12322125 UGKSBMUATIESOT-UHFFFAOYSA-N 431.456 1.937 0 40 IDAB CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](CN3CCCC3)[C@H]1[C@@H]2OC(C)=O 12653148 MOYOJTXMWPQGBG-DUUHSWNQSA-N 437.533 1.530 0 40 IDAB biogenic COc1cc2nc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)sc2cc1OC 12779519 VSPZNEYXVBCFRR-UHFFFAOYSA-N 427.442 1.511 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 12811616 QVEPZWMTTYPVAJ-GFCCVEGCSA-N 427.914 1.673 0 40 IDAB COC(=O)c1cnc(NC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)s1 12933463 QUHNWGYMDHDLNL-NSHDSACASA-N 434.499 1.729 0 40 IDAB CCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O 13138075 NFBBLTSCZMUDIT-UHFFFAOYSA-N 442.303 1.589 0 40 IDAB COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1OC 13371352 MRQOCDSEPNTSLD-PXNSSMCTSA-N 439.555 1.741 0 40 IDAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(CCc2ccncc2)CC1 13688082 XFVRLMAMDHQYCY-UHFFFAOYSA-N 442.585 1.869 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@@H](C)C2)cc1 14101772 MCGWXIKBYQBLFA-HNNXBMFYSA-N 440.543 1.788 0 40 IDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)COc1ccc(N2CCCC2=O)cc1 14363691 MLSGXCGOWNJQNC-UHFFFAOYSA-N 431.514 1.759 0 40 IDAB CCCCN(C(=O)c1cccc(-n2cnnn2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 14623969 CVODYMUZJYEOBL-UHFFFAOYSA-N 426.481 1.342 0 40 IDAB CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)CN3CCC[C@@H](C)C3)[C@@]21C 19496526 METMTICIPCYKOR-CTHITKAISA-N 439.560 1.968 0 40 IDAB CN(C)c1ncccc1CN1CCO[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19762351 OEUGZUKBRNEINN-JOCHJYFZSA-N 435.528 1.991 0 40 IDAB COCCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc1 23144770 XPIQOAUOETXVPZ-UHFFFAOYSA-N 430.504 1.893 0 40 IDAB CSc1nc2ncn(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)c(=O)c2s1 32936552 QGUKMOIQFPIZRO-NSHDSACASA-N 430.577 1.247 0 40 IDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 35388152 IEQWMTDQVYLBAZ-RTWAWAEBSA-N 441.553 1.115 0 40 IDAB Cc1nc(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)sc1C(=O)N(C)C 36709243 RSLJSCNLABVIJV-UHFFFAOYSA-N 446.514 1.732 0 40 IDAB O=C1N[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CS[C@H]1Cc1ccccc1F 40052194 HRXMGTJELOOVAB-PMACEKPBSA-N 441.528 1.953 0 40 IDAB COCCn1c2c(c(=O)[nH]c1=O)[C@@H](C(=O)Nc1ccccc1C(F)(F)F)CC(O)=N2 49551638 QYFAUQOJBBSUAW-VIFPVBQESA-N 426.351 1.916 0 40 IDAB O=C(O)CCC(=O)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72338446 OLDZJAZFMCODLN-QGZVFWFLSA-N 425.489 1.946 0 40 IDAB Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(c2cccc(Cl)c2)CC1 79479369 NLFVYNLLXGPCGK-UHFFFAOYSA-N 432.952 1.899 0 40 IDAB COc1cc2c(cc1OC)CN(CC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)CC2 95427690 NGTFZHBBEZPRSK-INIZCTEOSA-N 434.518 1.257 0 40 IDAB COc1ccc(OC)c(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)c1 96114093 WEXCGFSYEPEIOJ-UHFFFAOYSA-N 432.381 1.186 0 40 IDAB biogenic COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N1CCN(C(C)=O)CC1)NC2=O 100181559 RXERCYCOZWSBFI-QCWPFBFRSA-N 427.501 1.641 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222935730 CREAPGZIQZQDPP-QGZVFWFLSA-N 447.557 1.620 0 40 IDAB CC1(C)CC[C@@H]2C[C@@H](NC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)c3cccc1c32 539618224 SRBJWSHRWBREPV-MLGOLLRUSA-N 430.530 1.808 0 40 IDAB CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 575616565 RSSYSXTWYYTUPE-UHFFFAOYSA-N 445.485 1.382 0 40 IDAB COc1ccc(CNC[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)c(OC)c1 585285674 RSZGVQBVRWGQSV-LADGPHEKSA-N 428.529 1.751 0 40 IDAB Cc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)nc(N2CCCC2)n1 1570000231 SCMJZCAFDGUQNS-ICSRJNTNSA-N 441.507 1.345 0 40 IDAB CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNC(=O)c1ccc(Cl)cc1)OC[C@H]2n1ccc(O)nc1=O 2037977765 CYAUSLZCXLXUPT-TXCZRRACSA-N 435.864 1.492 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 2659694 DUBTZZSUNQIESW-UHFFFAOYSA-N 445.906 1.082 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3nc(C)sc3n2)c1 3426589 SBPGGGYORZSSBB-UHFFFAOYSA-N 436.515 1.847 0 40 IDAB COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 3557082 QDIFAXQAYCVJKC-UHFFFAOYSA-N 446.525 1.932 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OCc4ccccc4)CO[C@H]23)cc1 4260442 UALBCBZFDMCMRK-DOIPELPJSA-N 432.498 1.675 0 40 IDAB biogenic,in-vitro COC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 5028655 FWKUJTQARCPILV-ROUUACIJSA-N 428.441 1.657 0 40 IDAB COc1ccc(N2CCn3c2nn(CC(=O)N2CCCc4ccccc42)c(=O)c3=O)cc1 8849108 RSLOYUMCKUCOML-UHFFFAOYSA-N 433.468 1.545 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)C1 9305414 SIVXSHWQIGAVIK-IRXDYDNUSA-N 438.546 1.898 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(-n2cnnn2)cc1 9481752 URKLDMAJVJWLND-ZDUSSCGKSA-N 444.473 1.129 0 40 IDAB O=C1C[C@H](N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)N1C1CC1 9646213 ZVKWKXZRJWMSOR-HNNXBMFYSA-N 431.436 1.302 0 40 IDAB COc1ccc(NCCCn2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c(OC)c1 9764323 QBCKIHJEHIFECG-UHFFFAOYSA-N 440.504 1.823 0 40 IDAB COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 9806991 RTLUSZJOVHJTOI-HNNXBMFYSA-N 437.543 1.342 0 40 IDAB COC(=O)c1ccc(COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)o1 9981970 ZUBOHFUXUNCDHT-UHFFFAOYSA-N 432.454 1.971 0 40 IDAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 10971205 KZAYARUJFBCNBQ-QFIPXVFZSA-N 441.509 1.985 0 40 IDAB Cn1ncc2c(SCC(=O)NCC(=O)Nc3ccccc3Br)ncnc21 11685003 AHPPINBJIBTACU-UHFFFAOYSA-N 435.307 1.973 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H](c3ccc4c(c3)OCO4)N(C)C)ccc21 12196847 RHSOZTJQVNMHOE-IBGZPJMESA-N 431.514 1.906 0 40 IDAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)n(N)c2=O)cc1 12348176 JVMVPXBAGFGZAX-UHFFFAOYSA-N 427.486 1.691 0 40 IDAB COC(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1 12508355 FXOSENGGUHPONV-UHFFFAOYSA-N 448.500 1.089 0 40 IDAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 13128682 QEBIXVNORCAZEO-DEOSSOPVSA-N 444.495 1.746 0 40 IDAB NC(=O)Cn1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2ccccc21 13564630 BXAJVPCOELHOJK-MFOYZWKCSA-N 435.415 1.797 0 40 IDAB COc1ccc(CC(=O)N2CC[C@H](c3nc(O)c4c(n3)CN(C(C)=O)CC4)C2)cc1OC 19019094 NZBDVPDGPPOQGO-INIZCTEOSA-N 440.500 1.663 0 40 IDAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(S(=O)(=O)c2cn(C)cn2)C1 19695987 JLHIDVUPOZBZRS-FQEVSTJZSA-N 429.502 1.445 0 40 IDAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1CCN1CCOCC1 20061998 PACGEXONRZLGFN-UHFFFAOYSA-N 436.516 1.147 0 40 IDAB COc1ccccc1N1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(F)cc2)CC1=O 20729247 SAGSLYOMPUKXDS-AWEZNQCLSA-N 435.477 1.282 0 40 IDAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCCCC1 24754657 ISOJIEXZMQPBQA-AWEZNQCLSA-N 426.491 1.070 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)s1 25672364 MDFBURDNTHAHKY-UHFFFAOYSA-N 428.513 1.583 0 40 IDAB COc1ccc(C)cc1NC(=O)Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2 32615412 GBADHGBMLZOAIG-UHFFFAOYSA-N 431.452 1.909 0 40 IDAB Cc1[nH]c(=O)n(C)c(=O)c1CCc1nnc(SCC(=O)NCc2ccc(F)cc2)o1 35597135 IXNYBZNDKBSWRP-UHFFFAOYSA-N 433.465 1.098 0 40 IDAB COc1cc(/C=C/C(=O)NCCOc2cc(N3CCOCC3)ncn2)cc(OC)c1OC 35598374 LINREHDZFUGCTR-SNAWJCMRSA-N 444.488 1.547 0 40 IDAB O=C(NCc1cccnc1-n1cncn1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 40108917 MNZIANZTJWUMJI-SFHVURJKSA-N 426.502 1.522 0 40 IDAB C[C@H]1CN(Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)s3)cc2)C[C@H](C)O1 40154627 ZNJDLEOFQANBAQ-GJZGRUSLSA-N 437.587 1.977 0 40 IDAB COC(=O)[C@H](CCSC)NC(=O)CCNC(=O)CCNC(=O)c1ccc(Cl)cc1 41157825 KBXFACNREVTJMF-HNNXBMFYSA-N 443.953 1.377 0 40 IDAB COc1cccc(OC)c1C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 47162935 BGNNBCZTYYAGJK-UHFFFAOYSA-N 432.498 1.928 0 40 IDAB CN(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 57773628 ACRIGBFMNDEZDD-FCHUYYIVSA-N 438.572 1.627 0 40 IDAB CN1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cn2)CC1 58100860 BLMPTGQQKSJIRS-UHFFFAOYSA-N 443.573 1.476 0 40 IDAB O=c1c2cnc(N3CCN(c4ccccc4)CC3)nc2nc(O)n1-c1ccc2c(c1)OCO2 67262774 STTIQEZCMZPJRE-UHFFFAOYSA-N 444.451 1.937 0 40 IDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 69951465 BUQNMFORHCPSJC-UHFFFAOYSA-N 447.495 1.615 0 40 IDAB COc1cc(OC)cc(C2(O)CCN(C(=O)CCn3nnc4ccccc4c3=O)CC2)c1 79107115 RJEPAKPBRSORNW-UHFFFAOYSA-N 438.484 1.709 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 101498822 ZUCFXFUGGHQVNO-BBWFWOEESA-N 428.576 1.383 0 40 IDAB C[C@@H]1[C@@H](NC(=O)COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)CCC[C@H]1C 105114895 KGQXZKRTRFWWPN-VYDXJSESSA-N 435.546 1.989 0 40 IDAB C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 105345469 PWWIMLJAYVPOBC-MPHVSXRFSA-N 443.862 1.781 0 40 IDAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222944578 TUTFRUURMCQONS-QGZVFWFLSA-N 429.498 1.385 0 40 IDAB CCOc1c(Cl)cc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1OC 542472085 GJDHJZDMZIMLIY-UHFFFAOYSA-N 429.886 1.012 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 585283202 QZYPKRZCMHPBDQ-OAQYLSRUSA-N 444.475 1.390 0 40 IDAB O=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCOCC3)cc2)C1 802463 IKXMFNAKRGNFFU-LJQANCHMSA-N 437.496 1.594 0 40 IDAB O=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccccc1 1333422 YMTYWWMIYCSBSL-UHFFFAOYSA-N 449.554 1.919 0 40 IDAB O=C(OCn1nnc2ccccc2c1=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3373354 DADCTSKFRLFXJF-UHFFFAOYSA-N 430.376 1.995 0 40 IDAB COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Br)cc1 6444921 OXXWXEYCXLDZNS-UHFFFAOYSA-N 436.310 1.693 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1cc2c(s1)CCC2 8748602 YSHPORJTLZLNAU-CQSZACIVSA-N 440.568 1.955 0 40 IDAB CC(=O)Nc1nc(Cn2c(-c3nonc3NC(C)=O)nc3ccccc32)nc(N(C)C)n1 8892316 IVFZGWJYXUNGPG-UHFFFAOYSA-N 436.436 1.302 0 40 IDAB O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 9257197 YAFRBQFULWTNAA-INIZCTEOSA-N 438.527 1.784 0 40 IDAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)NC[C@@H]1CCCO1 9519718 GUWCVYFXJZOAMG-KRWDZBQOSA-N 447.557 1.723 0 40 IDAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNS(=O)(=O)c2ccc(F)c(F)c2F)c1C 9634222 BAMPNOCOAAJZGY-UHFFFAOYSA-N 446.403 1.956 0 40 IDAB CCc1nnc(NC(=O)Cn2c(=O)c3c(ncn3CC)n(Cc3ccccc3)c2=O)s1 9983542 ZGNWACHOCLSDKZ-UHFFFAOYSA-N 439.501 1.481 0 40 IDAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)COc1ccccc1C)CC2 10705460 JSUGXSBQISQYQS-UHFFFAOYSA-N 448.541 1.895 0 40 IDAB Cn1cnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 10800377 VVYIWIZQELSPLU-UHFFFAOYSA-N 431.927 1.220 0 40 IDAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 12508141 SNZRLRFTRLUWOO-LBPRGKRZSA-N 445.501 1.302 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)C3CC3)n2Cc2ccc(Cl)cc2)n(C)c1=O 12639112 AAJLSTREFHNGNI-UHFFFAOYSA-N 430.896 1.074 0 40 IDAB CCC(=O)N(c1nnc(SCc2nc3ccccc3c(=O)n2CC(N)=O)s1)C1CC1 12688336 NJEVEZNQGAUSHV-UHFFFAOYSA-N 444.542 1.931 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)c3ccccc3)CC2)cc1 13069846 AMMHKADXPFDYPG-UHFFFAOYSA-N 445.541 1.833 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 13097708 IRUCDWOXOBNCPF-CYBMUJFWSA-N 425.532 1.512 0 40 IDAB O=C(COc1ccc(OCc2ccccc2)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14116378 MPKKATUVONJERP-HXUWFJFHSA-N 444.553 1.976 0 40 IDAB Cc1ccc(-c2nnn(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)n2)cc1 15450252 CPQYYUIBOYSYDZ-UHFFFAOYSA-N 440.529 1.323 0 40 IDAB O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccc(Cl)cc3)CN21)NC1CC1 15708354 PUHWQOZYKQMGRL-BBWFWOEESA-N 435.981 1.627 0 40 IDAB biogenic,in-vitro COc1ccccc1N1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 18182040 RILGSHMZUBPZEM-UHFFFAOYSA-N 437.544 1.868 0 40 IDAB CCCN1CCN([C@@H](c2cc3c(C)cc(C)cc3[nH]c2=O)c2nnnn2CCOC)CC1 19503407 DEEXNOSHTUZNBI-NRFANRHFSA-N 439.564 1.895 0 40 IDAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)CCn2nc(C)nc2C)CCO1 19702879 PJCMMUYZACHKQI-OAHLLOKOSA-N 428.518 1.854 0 40 IDAB Cc1nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19739189 YPEVIKQSBPIONW-MRXNPFEDSA-N 447.536 1.999 0 40 IDAB CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4cc[nH]n4)CCO3)nc3ccccc23)CC1 19759191 JTYGJCGAVOPAQU-NRFANRHFSA-N 434.500 1.559 0 40 IDAB CN1CCN(CCCNC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)CC1 20037581 AVHUYOYRPGSOBF-UHFFFAOYSA-N 446.548 1.755 0 40 IDAB COc1cc(C)c(CN2CCN(C(=O)CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1OC 23674791 AROPUVSDJLELSG-UHFFFAOYSA-N 443.544 1.976 0 40 IDAB Cn1cnc2c1c(=O)n(CCCSc1nnc(C3CC3)n1Cc1ccco1)c(=O)n2C 24717940 BPIDJWTVUXDMKR-UHFFFAOYSA-N 441.517 1.726 0 40 IDAB O=C(CN1C(=O)CCOc2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 24761461 NBIIISJVPUCYMN-UHFFFAOYSA-N 445.497 1.462 0 40 IDAB Cc1cc(N2C[C@@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2=O)ccc1Br 32796000 KOXJQICJXYZBTB-SJCJKPOMSA-N 429.336 1.804 0 40 IDAB O=C(CN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1)Nc1ccccc1Cl 35362792 DMWVSNFOQJNECG-UHFFFAOYSA-N 447.923 1.287 0 40 IDAB CCOC(=O)C1=C(CSc2nnnn2C)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 36611789 SLFZVIHSXMZMRQ-MRXNPFEDSA-N 448.505 1.329 0 40 IDAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccc(-n2cncn2)nc1 48277629 ICWIZUTYPDTCFS-UHFFFAOYSA-N 431.382 1.595 0 40 IDAB Cc1oc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)cc1S(=O)(=O)N1CCCC1 65577580 VXGZJUJVAJICSJ-AWEZNQCLSA-N 427.548 1.414 0 40 IDAB CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Cc1cccc(O)c1 72308186 HMQBASDMSBAKFP-UHFFFAOYSA-N 443.569 1.846 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCC[C@H](O)C3)CC1)O2 72328010 RBGGXZKYFNKWLO-HKARXFIJSA-N 429.517 1.240 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)CC1)O2 72328018 JOTXISZZKPQTCG-NDBKNAECSA-N 443.544 1.893 0 40 IDAB O=C(NC[C@@]1(O)CCOC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 89781063 VFDXWJAKKNKDOK-NRFANRHFSA-N 448.497 1.530 0 40 IDAB C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN([C@H](C)C(=O)NC2CC2)CC1 97527156 PSJFWERFRDMJIM-DINPMHMFSA-N 445.608 1.454 0 40 IDAB Cc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224474330 JUGJAYHVWWAZLX-SFHVURJKSA-N 448.541 1.978 0 40 IDAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccccc1N1CCOCC1 409219051 MSIPTOXHVZOOJI-UHFFFAOYSA-N 435.436 1.748 0 40 IDAB NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCO[C@H](c3ccccc3F)C2)c1 523036958 YLRKOXRUUKJGFP-INIZCTEOSA-N 425.413 1.151 0 40 IDAB O=S1(=O)CC[C@@H](N(C[C@@H](O)CO)S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 575422127 LKOIDDJWXGLVEJ-QZTJIDSGSA-N 431.576 1.265 0 40 IDAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 1357702 JNHUDBHMUSMDDS-HNAYVOBHSA-N 432.550 1.758 0 40 IDAB CN1C(=O)N(C)C(=O)C2(Cc3cc(N)ccc3N3CCN(c4ccccc4F)C[C@@H]32)C1=O 2433832 HDCQCUNQDDNREQ-LJQANCHMSA-N 437.475 1.696 0 40 IDAB CCn1ncc(Br)c1C(=O)Nc1cnn(C)c1C(=O)NCc1cnn(C)c1 2798915 SOXMWLLKHURFHW-UHFFFAOYSA-N 435.286 1.315 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(=O)n(C)c1=O 3246857 QOYLFEOOSMDYPI-UHFFFAOYSA-N 434.408 1.514 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(NCCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 4038237 SDELGVUQATWUIA-GOSISDBHSA-N 449.511 1.826 0 40 IDAB aggregator O=C(NCCC(=O)OCn1nnc2ccccc2c1=O)NC12CC3CC(CC(C3)C1)C2 6084607 QLLCMNXXMMQMIB-UHFFFAOYSA-N 425.489 1.950 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 8707206 LOIMBRSYZZHHFB-QFIPXVFZSA-N 438.440 1.353 0 40 IDAB C[C@@H](NC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)CCCC2 8898843 ZEEJQFSPLJGGOB-GFCCVEGCSA-N 429.908 1.843 0 40 IDAB O=C(CC[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1ccc2c(c1)OCO2 8990638 UJLZQNPGAMBWIV-HNNXBMFYSA-N 439.424 1.865 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC[C@@H]1CCCO1 9453078 JMWOZEJYHSBJPU-WJPUGNRLSA-N 445.516 1.247 0 40 IDAB CCc1cccc(OC[C@@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385292 OLZRMEAOZXJNPC-HNNXBMFYSA-N 439.472 1.631 0 40 IDAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 11905033 ZOIRXTPTOBTKRZ-LBPRGKRZSA-N 438.483 1.587 0 40 IDAB O=C(CCC(=O)N1CCS(=O)(=O)CC1)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 12087067 GACFAPDKCQIBFT-QGZVFWFLSA-N 436.530 1.213 0 40 IDAB COC(=O)[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 12807920 UXLQHXVWYBASAB-MRXNPFEDSA-N 440.518 1.269 0 40 IDAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 12982518 JGLGIEKWNDRTJI-CQSZACIVSA-N 437.474 1.496 0 40 IDAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 13128763 UQSQAVPPWJKSND-HOTGVXAUSA-N 437.547 1.165 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)c(=O)n(C)c1=O 17980637 WNPNKLZICKWZMS-UHFFFAOYSA-N 434.861 1.483 0 40 IDAB CN(C)CC1CCC2(CC1)CN(C(=O)Cn1ccc(=O)[nH]c1=O)Cc1ccccc1O2 19581843 ZJVVQRHNFPFCTB-UHFFFAOYSA-N 426.517 1.448 0 40 IDAB CNC(=O)c1[nH]c(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)nc1-c1ccc(F)cc1 19698851 DTFMJOFLVSMYBU-UHFFFAOYSA-N 446.508 1.877 0 40 IDAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22824868 JHPNVCHBTFJQEL-HIFRSBDPSA-N 435.468 1.717 0 40 IDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 23184097 FKDZHVNEPAQCBP-OAHLLOKOSA-N 429.498 1.879 0 40 IDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 23462787 MCZNHNQDDRTOJZ-INIZCTEOSA-N 427.534 1.528 0 40 IDAB CC(=O)Nc1cccc(NC(=O)C[C@@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)c1 32103041 ZEGXHPVCQSBJGC-GOSISDBHSA-N 430.486 1.163 0 40 IDAB CCCn1c(NC(=O)c2cccc(OC)c2)c(NCCN2CCOCC2)c(O)nc1=O 32857986 NLRCUKMIGDHUTD-UHFFFAOYSA-N 431.493 1.364 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCCN2CCOCC2)cc1C 39986274 VSWPJWHBSSFQLK-UHFFFAOYSA-N 427.567 1.243 0 40 IDAB Cc1nc(C)n(C[C@H](C)C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338893 HDZVHXYYGKEGSB-DJJJIMSYSA-N 432.550 1.500 0 40 IDAB COc1ccccc1[C@@H](O)Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 77197255 SHDVZMNZMORQMT-KRWDZBQOSA-N 431.493 1.713 0 40 IDAB O=C(O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 78307648 SLLOHKZCCFWKKA-AWEZNQCLSA-N 430.438 1.574 0 40 IDAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)C=C2 96116554 CWJVWIBGKLEFFA-UHFFFAOYSA-N 445.497 1.023 0 40 IDAB biogenic CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)Cc4ccccc4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143741 FUUKDLGONDNWOV-WMZHIEFXSA-N 447.601 1.598 0 40 IDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(OC)cc3)c(=O)n12 100639593 VHLUQZNUIQOUOE-MSODGMKQSA-N 436.489 1.868 0 40 IDAB COc1cc(NC(=O)C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)ccc1N1CCCCS1(=O)=O 101666630 IFZHEGPEVHRUJT-JYJNAYRXSA-N 433.530 1.892 0 40 IDAB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)NC(N)=O)c2)C1 102714463 ADLZPJGOTABRIL-VBKZILBWSA-N 437.518 1.628 0 40 IDAB C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 104696315 UVGXSJMCULIMPF-WTOJCKNJSA-N 438.527 1.193 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2)cc1 107754737 JGVZGICJSVHYOT-UHFFFAOYSA-N 447.513 1.599 0 40 IDAB COC(=O)c1cc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc(C(=O)OC)c1 223286447 BPOWAMXWAVBYBU-UHFFFAOYSA-N 442.475 1.507 0 40 IDAB COc1ccnc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)CC2)n1 511817252 KYCZWPAFAQANBE-QGZVFWFLSA-N 449.515 1.563 0 40 IDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 575425685 HGQDTAGMBHKPMC-HNNXBMFYSA-N 442.515 1.625 0 40 IDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O 575613823 WEXBTADQNYTQOM-GFCCVEGCSA-N 437.449 1.639 0 40 IDAB Cc1ccc(-n2cnnn2)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 607297957 JOLXKPFOFIDQSJ-UHFFFAOYSA-N 443.485 1.935 0 40 IDAB COCC(=O)N1CCCN(C)CCN(C(=O)CCn2nc(C)nc2C)Cc2ccccc21 643555297 ZBJZQYTUCLQOCE-UHFFFAOYSA-N 442.564 1.629 0 40 IDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1 1888906626 SVLLFUANLGIERX-UHFFFAOYSA-N 425.551 1.414 0 40 IDAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(c2nc(C)c(F)c(O)n2)CC1 1888906666 GGCZJKAOVICUFY-UHFFFAOYSA-N 440.435 1.147 0 40 IDAB O=C(O)CSc1nnc2n1-c1nnc(SCC(=O)O)n1-c1sc3c(c1-2)CCC3 2330706 FCOMEEJBLMUSKC-UHFFFAOYSA-N 436.500 1.732 0 40 IDAB CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2cc(OC)ccc2OC)c1C 8755122 VMQXNZBHONMVPY-UHFFFAOYSA-N 431.536 1.785 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(c3ncccn3)CC2)cc1 9223254 FSEMAZBZTABKJU-IBGZPJMESA-N 429.546 1.677 0 40 IDAB CN(c1ccc(C(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)cc1)S(C)(=O)=O 9245725 BCLDSQOBCVBFIT-UHFFFAOYSA-N 447.513 1.946 0 40 IDAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(c2cnccn2)CC1 11086933 GNQADGLWRHNZIV-UHFFFAOYSA-N 427.486 1.511 0 40 IDAB CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 12236011 IMNBZIGGQVAOEW-MRXNPFEDSA-N 426.520 1.619 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1 12410046 KFUYGPMQDZXCHJ-INIZCTEOSA-N 443.529 1.813 0 40 IDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 12802563 LBSQQCWKTMAWMY-PEBXRYMYSA-N 431.456 1.407 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cnc3sccn3c2=O)CC1 13163830 XTGWBQKYPKVPHZ-UHFFFAOYSA-N 426.454 1.976 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCN3CCOCC3)C2)cc1C 13566290 FKQCWLZBGNSHQU-GOSISDBHSA-N 439.578 1.243 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccncc3)CC1)O2 19219072 OHNUDWQOLAXBIB-BXKMTCNYSA-N 436.512 1.968 0 40 IDAB COc1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2)cn1 19561900 SIGWQMXDOVRKOJ-IBGZPJMESA-N 435.484 1.724 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c2=O)C1 19572910 ONRHYYPFHRXNCV-QGZVFWFLSA-N 434.493 1.594 0 40 IDAB Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(C(=O)c1cc3c([nH]c1=O)CCCC3)C2 19701417 QGCHTYDHZWDYFQ-IBGZPJMESA-N 446.511 1.438 0 40 IDAB O=C(NCCNS(=O)(=O)c1cccc2nsnc12)[C@@H]1CC(=O)N(c2ccccc2)C1 20744413 TVKBEZCBPRKTSN-CYBMUJFWSA-N 445.526 1.139 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 20745084 JMGYBVGTRHKJSV-UHFFFAOYSA-N 444.872 1.204 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 30940088 UCZBZADVCWPMFD-LJQANCHMSA-N 447.513 1.537 0 40 IDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 32443494 ILCNFQZCNGCXRK-ZDUSSCGKSA-N 425.429 1.632 0 40 IDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)C1 32755070 YCWMXDIQBLHMGS-USTZCAOPSA-N 436.644 1.049 0 40 IDAB COC(=O)c1cc(NC(=O)COC(=O)c2cnc3n[nH]c(C)c3c2)cc(C(=O)OC)c1 32936309 RBKAPGPVBBKLAX-UHFFFAOYSA-N 426.385 1.635 0 40 IDAB Cc1nc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)CC(C)(C)C2 35810146 HTNLCKNZISYMBE-UHFFFAOYSA-N 425.489 1.930 0 40 IDAB CS(=O)(=O)N1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)Oc2ccccc21 38850832 HRQOOAJIVKGCMA-NRFANRHFSA-N 429.542 1.948 0 40 IDAB O=C(CN1C(=O)S[C@@H]([C@H]2SC(=O)NC2=O)C1=O)Nc1ccc(Br)cc1 65090490 VAWQRNIHYBHHGU-ZJUUUORDSA-N 444.288 1.803 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccccc1OC 67287602 BCGIJCQQRMZVCV-IBGZPJMESA-N 446.504 1.640 0 40 IDAB COc1ccc(-c2cc(=O)n(CCNC(=O)Cn3cnc4ccccc4c3=O)cn2)cc1 70637529 UPHZHHPYRCTZII-UHFFFAOYSA-N 431.452 1.445 0 40 IDAB CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 72295273 VYKPFPFLICDJCZ-HXUWFJFHSA-N 444.509 1.356 0 40 IDAB C[C@]1(NC(=O)CN2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)CCS(=O)(=O)C1 72327580 XQYSTVNSGIYMQW-LEWJYISDSA-N 434.514 1.097 0 40 IDAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(-n2nnn(CC(N)=O)c2=O)cc1 77100168 SQESLVPGIOZVHU-UHFFFAOYSA-N 432.440 1.719 0 40 IDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccc([S@](C)=O)cc2)CC1 78307579 UMKZAVHCRIQXSV-HHHXNRCGSA-N 427.592 1.691 0 40 IDAB O=c1occ(CN2CCCCCC2)c(O)c1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 79477699 KTORYKINDMKVNF-SFHVURJKSA-N 439.578 1.026 0 40 IDAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC)cc2)cc1F 95452571 IUFGRJCXQGVYGR-UHFFFAOYSA-N 443.522 1.768 0 40 IDAB CCOC(=O)C1=NO[C@@H]2[C@@H]1[C@@H]1C[C@@H]2[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]12 100326861 DWNHDAZTKYKHER-IWCJWCQISA-N 442.468 1.431 0 40 IDAB COc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@@H]32)c1 101169811 IYJXILDGYGPSBC-RBUKOAKNSA-N 439.428 1.644 0 40 IDAB O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1ccc(-n2cccn2)cc1)c1ccccc1 225638929 UQUDCVRLIHDWBE-SFHVURJKSA-N 426.454 1.871 0 40 IDAB CS(=O)(=O)N1CCc2nc3n(c(=O)c2C1)CC1(CCN(Cc2ccc(F)cc2)CC1)C3 306139106 SPSDAFMTJRKSTM-UHFFFAOYSA-N 446.548 1.539 0 40 IDAB Cn1c(C(F)(F)F)nn(C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1=O 575615671 IXAVDWGYYVATOA-UHFFFAOYSA-N 448.452 1.631 0 40 IDAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1 1772595404 SYJVYPBDUDQCIV-OAQYLSRUSA-N 446.617 1.250 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 687780 VICOOPXYHIKIRC-UHFFFAOYSA-N 445.925 1.275 0 40 IDAB COc1ccc(-c2nc3s/c(=C\c4ccc(OCC(N)=O)cc4)c(=O)n3n2)cc1OC 2392750 OOGLLJPFQMTWJP-MFOYZWKCSA-N 438.465 1.247 0 40 IDAB CC(C)c1n[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 2626031 RNTUGUVSAQBILX-UHFFFAOYSA-N 425.536 1.680 0 40 IDAB CCN(C(=O)COC(=O)COc1ccc2c(C)cc(=O)oc2c1)[C@@H]1CCS(=O)(=O)C1 3398670 OIELGYNBMOOZHF-CQSZACIVSA-N 437.470 1.059 0 40 IDAB COc1cc(/C=C/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc(OC)c1O 9038915 MQRMVMOPBUEPJM-ONEGZZNKSA-N 444.492 1.350 0 40 IDAB COC(=O)CN1C(=O)S/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 9264936 UCILMVZWQILBMZ-LICLKQGHSA-N 443.481 1.709 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)o1 9512471 KXCRIZRCSWBDEY-UHFFFAOYSA-N 429.292 1.993 0 40 IDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1Cl 9633785 NUYOWRGJDGUJCM-LLVKDONJSA-N 429.347 1.307 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NC[C@@H]2CCCO2)cc1 9745080 OIMMMHOBHQVJNK-MSOLQXFVSA-N 437.562 1.340 0 40 IDAB CCOc1ccccc1NCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 10108857 WHYYZWSULWXHPJ-CQSZACIVSA-N 425.493 1.701 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCCc1ccccc1 11906148 QCFRRLXSYBXUGI-UHFFFAOYSA-N 438.527 1.673 0 40 IDAB O=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)Nc1cccc(C(F)(F)F)c1 12444059 ASWJQHGFIAZSQH-UHFFFAOYSA-N 441.391 1.912 0 40 IDAB O=C(O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12794445 YLYSNJGCUVZDRF-INIZCTEOSA-N 438.502 1.324 0 40 IDAB COc1ccc(CCNC(=O)CSc2nnc(SCC(N)=O)s2)cc1OC 12935002 YKKFPRBYEOARKV-UHFFFAOYSA-N 428.561 1.584 0 40 IDAB Cc1ccccc1-c1noc(CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)n1 12983410 NUQCVUJNDPVEMU-OAQYLSRUSA-N 430.428 1.988 0 40 IDAB COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)N1CCc2ccccc21 13730319 IEOSMBXDDVNLRB-ZDUSSCGKSA-N 436.511 1.759 0 40 IDAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc3c(c1)C(=O)N(C)C3=O)C2=O 24020862 IPOLQQKTYIWBGT-VERVWZFWSA-N 426.473 1.988 0 40 IDAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)C1 30867870 XRLZFFGOGOSEFX-IRXDYDNUSA-N 428.574 1.923 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)OCO2 32994765 KABHMLDNQQUYBN-UHFFFAOYSA-N 432.454 1.891 0 40 IDAB CC(C)C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 35291113 WXIIOKVHQCBBJN-UHFFFAOYSA-N 432.912 1.320 0 40 IDAB O=C(CN1CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1)NC1CC1 35400128 MDQIGUQCCWXRRQ-UHFFFAOYSA-N 431.496 1.422 0 40 IDAB O=C(NCCCN1CCCCCC1=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 40160164 PMQZPLZORYEAML-UHFFFAOYSA-N 436.559 1.821 0 40 IDAB CN(C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1ccccc1 58179570 ZAIAHUHWHRZZHU-SFHVURJKSA-N 432.546 1.777 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O)Nc1ccc2c(c1)OCCO2 65237397 DSFLCZFHBXITMB-UHFFFAOYSA-N 433.486 1.433 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 95442446 WELJPYWBBFTMBQ-JSGCOSHPSA-N 439.408 1.726 0 40 IDAB Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 96120931 SEQCMQWLDLHOCF-UHFFFAOYSA-N 432.424 1.999 0 40 IDAB COC(=O)c1ccc(-c2noc([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)n2)cc1 97105355 DXVJLEIXIFHQDD-AWEZNQCLSA-N 442.453 1.691 0 40 IDAB Cc1n[nH]c(C)c1[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 97164526 LUJDFHXWXFSJHN-AWEZNQCLSA-N 434.518 1.206 0 40 IDAB O=C(NCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1)c1cccnc1 100180024 KPYCPGQHVQUJQC-LOFUIXATSA-N 434.496 1.883 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cc3c(cc21)OCO3 101035446 RLQUFQGYBAAMLZ-JHBCHSCWSA-N 428.422 1.872 0 40 IDAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222887153 RUXJXKAMNLVCHL-GOSISDBHSA-N 431.558 1.967 0 40 IDAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 257204819 AWKACRPYMYATAW-WFASDCNBSA-N 438.941 1.459 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2nc(O)c3c(n2)CN(S(C)(=O)=O)CC3)CC1 257239397 HPCLUUAFKRMJFX-ZQIUZPCESA-N 438.550 1.369 0 40 IDAB CC(C)(C)OC(=O)N[C@@H]1C[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 257246510 IUJUJUFGIYYUJQ-ATLSCFEFSA-N 440.504 1.998 0 40 IDAB O=c1c(=O)n2c(nn1Cc1ccccn1)[C@@]1(CCN(Cc3ccc4c(c3)OCO4)C1)CC2 306128560 HEESMBOZWTYCTN-QHCPKHFHSA-N 433.468 1.124 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C)N2C(=O)CCC2=O)sc2c1CCCC2 1056428 YKVAZRFFBXEBJU-NSHDSACASA-N 436.486 1.823 0 40 IDAB CC(C)Cc1c(O)nc(SCC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)nc1O 1321563 ATPIYBAKXRKNEJ-ZIAGYGMSSA-N 430.530 1.986 0 40 IDAB CC(C)Nc1nnc(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)s1 3383369 OGOGCOROTDLCTB-UHFFFAOYSA-N 446.558 1.824 0 40 IDAB Cc1csc(NC(=O)CSc2nnc(CNC(=O)c3ccc4c(c3)OCO4)n2C)n1 9426787 ZQURGKSLNPOZCB-UHFFFAOYSA-N 446.514 1.970 0 40 IDAB O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 9538139 DTXWYOQXVVOUHA-KRWDZBQOSA-N 439.493 1.999 0 40 IDAB CN(CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)Cc1ccc2c(c1)OCO2 9753697 ACHILCRRSJIOEJ-UHFFFAOYSA-N 442.491 1.769 0 40 IDAB Cn1c(=O)c2ccccc2n2c(CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)nnc12 9958872 MMSQPOVRKIMHFY-OAQYLSRUSA-N 434.481 1.926 0 40 IDAB COc1ccc(N(CC(=O)NCCCN2CCCCCC2)S(C)(=O)=O)cc1OC 10111171 QRANCRHKBCNVHH-UHFFFAOYSA-N 427.567 1.852 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)CC1 12409227 AAVRXAQNMVGOQU-ZDUSSCGKSA-N 432.477 1.604 0 40 IDAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n(C)c3nc2n1CC(=O)O 12558815 MZLZGKWUEKEENU-UHFFFAOYSA-N 436.255 1.898 0 40 IDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 12679512 QPQFHPGLAHBEGQ-UHFFFAOYSA-N 439.511 1.834 0 40 IDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CN3C(=O)CCOc4ccccc43)CC2)C1 12915923 JEPAJCOHMYNAQN-OALUTQOASA-N 442.560 1.451 0 40 IDAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)NC(=O)NC[C@H]1COc2ccccc2O1 13028768 XOSXRZUNHMCQPD-ZDUSSCGKSA-N 428.832 1.716 0 40 IDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 13117744 MOTYIODNIXUIQB-UHFFFAOYSA-N 446.485 1.658 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 13575145 BRHWZDNYISBXQS-WJQTUHTMSA-N 426.491 1.898 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 14189463 GVJJLYZLOGVUGW-UHFFFAOYSA-N 448.530 1.795 0 40 IDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)C1=O 14200068 BBDMDQBVDQYWGW-LJQANCHMSA-N 434.474 1.417 0 40 IDAB CC1CCN(CC(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)CC1 19702948 DVWRPMOUUSMIJE-KRWDZBQOSA-N 446.573 1.650 0 40 IDAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2Cc2c(C)n(C)c(=O)n(C)c2=O)nc1C 19765525 XWLGCWGOFJTLIM-IBGZPJMESA-N 442.564 1.700 0 40 IDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 20614073 FSYPCRSXRDVCDP-LJQANCHMSA-N 429.517 1.912 0 40 IDAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23249375 HNRNZCSISRYSEH-JKSUJKDBSA-N 436.603 1.620 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3cccc(F)c3)CC1)C2=O 23408877 YIVRZEWKYKUACG-UHFFFAOYSA-N 438.525 1.590 0 40 IDAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(Cc3ccncc3)CC1)C2=O 23653573 NOHZOGBJXRYYRJ-SBUREZEXSA-N 427.549 1.863 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncnc4c(C)nn(C)c34)CC2)cc1 28557319 GLVIWVKJNYWIOF-UHFFFAOYSA-N 429.506 1.141 0 40 IDAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(OCC(N)=O)c1 30988655 OAXBGWSAEYTUJR-QGZVFWFLSA-N 444.513 1.787 0 40 IDAB CC(C)CNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1 32900311 JNQSCGVUFGSWEH-UHFFFAOYSA-N 436.578 1.985 0 40 IDAB CC(C)NC(=O)Cn1cc(I)c(=O)c(I)c1 33018806 ZKGJWOUZBZNNFT-UHFFFAOYSA-N 446.026 1.582 0 40 IDAB COc1ccc(CCNC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)cc1 44893634 CWWDWPDJZQWONS-UHFFFAOYSA-N 447.539 1.937 0 40 IDAB O=C(NC1CCCCC1)C1CCN(c2ncccc2S(=O)(=O)N2CCOCC2)CC1 49006599 BLZXCROBRGPDEB-UHFFFAOYSA-N 436.578 1.768 0 40 IDAB Cc1nc(N2CCC[C@@H](NC(=O)c3cc(CN4CCOCC4)oc3C)C2)[nH]c(=O)c1C 72342124 GGSHKTOQLVKDLN-QGZVFWFLSA-N 429.521 1.519 0 40 IDAB CN1CCN(C(=O)Cn2ccc(NC(=O)COc3ccc(Br)cc3)n2)CC1 89382580 PWQPQRKUMFRSQY-UHFFFAOYSA-N 436.310 1.437 0 40 IDAB O=C(NC[C@H]1O[C@H](Cc2cc(CN3CCOCC3)on2)CC[C@@H]1O)c1cccc(F)c1 96269003 MLKJDJMRCCLFBZ-SESVDKBCSA-N 433.480 1.527 0 40 IDAB biogenic,in-vitro CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223794868 OVSLWFKGYZVESA-AWEZNQCLSA-N 447.488 1.524 0 40 IDAB Cc1ccc2c(c1)O[C@@H](C(=O)Nc1ccc(N3CCOCC3)cc1)CN2S(C)(=O)=O 225005616 MQTDAMZREIDHDB-HXUWFJFHSA-N 431.514 1.997 0 40 IDAB COC(=O)c1cc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc(C(=O)OC)c1 408627377 ZTLYUHHYZOCFPL-UHFFFAOYSA-N 438.433 1.804 0 40 IDAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)c1=O 575616091 WEJOOXUUJBCECC-UHFFFAOYSA-N 436.394 1.174 0 40 IDAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(S(=O)(=O)c5c(C)noc5C)C[C@H]4C3)ncn2)n1 585617365 WKGVSQPSHHFCEC-IAGOWNOFSA-N 443.533 1.641 0 40 IDAB O=C(NCC1(OCCO)CCSCC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 828765506 YQXBKXYPGFETAT-UHFFFAOYSA-N 435.546 1.533 0 40 IDAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243153 MYFIIJMKHHNBQG-HNNXBMFYSA-N 445.419 1.490 0 40 IDAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 1325738 YQMFWWQISXGCPJ-UHFFFAOYSA-N 439.534 1.777 0 40 IDAB COc1ccc2c(C)c(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1C 9042961 ULNMWPXHUYYMAP-UHFFFAOYSA-N 430.482 1.925 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)Nc1nc3ccccc3[nH]1)c(=O)n2Cc1ccccc1 9127599 MLBCUNZAJLUBDZ-UHFFFAOYSA-N 443.467 1.943 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(=O)Nc3cccnc3)C2)cc1 9303954 YARRYTNQQJROFP-MRXNPFEDSA-N 446.529 1.636 0 40 IDAB O=C(O)Cn1c(=O)c2c3c(sc2n(CC(=O)NCCc2ccccc2)c1=O)CCCC3 9435269 QUGAOKLWWITYAA-UHFFFAOYSA-N 441.509 1.547 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)c(F)c1 9569881 MKIUKJKCEYEGQU-UHFFFAOYSA-N 427.448 1.986 0 40 IDAB O=C(CN1CCCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9869285 VXMHTEZQMGWSLM-UHFFFAOYSA-N 436.578 1.732 0 40 IDAB CCOc1ccc(C(=O)N[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1 9960629 VPVGSZHEDSGMEF-FQEVSTJZSA-N 447.557 1.846 0 40 IDAB Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCc2cccs2)CS(=O)(=O)C3)c1 10250559 JXEAAQPXFNGUTO-UHFFFAOYSA-N 430.511 1.926 0 40 IDAB CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1cc(Cl)c(Cl)cc1Cl 10284182 QYOBVDRMGBQKAU-UHFFFAOYSA-N 428.725 1.713 0 40 IDAB O=C(CN1C(=O)c2ccccc2C1=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 12522047 WAXYGANUMSTPOM-YBEGLDIGSA-N 436.449 1.530 0 40 IDAB NC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)sc2c1CCCC2 12685210 VGEIPIGIGIXQCR-UHFFFAOYSA-N 449.554 1.999 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)NC(=O)N[C@H]1CC 12791613 UCQNWHALPPNRRQ-KBPBESRZSA-N 445.472 1.500 0 40 IDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 12859784 JIXKAFRSHMGOKM-FQEVSTJZSA-N 446.485 1.470 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1C 13566289 VAYSKTUCYXNCLD-UHFFFAOYSA-N 439.578 1.243 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 14247454 DHMKSFKTGYQPLU-CQSZACIVSA-N 449.533 1.114 0 40 IDAB Cc1cc(SCC(=O)NCCCN(C)C)nc(SCC(=O)NCCCN(C)C)n1 16283852 OXBMPQWTCNZMMT-UHFFFAOYSA-N 442.655 1.105 0 40 IDAB CCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnnn2C)cc1 17307944 JLZSQOSHPCYDHM-UHFFFAOYSA-N 430.490 1.710 0 40 IDAB CN1CCN(C(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)C[C@H](Cc2ccccn2)C1=O 19696851 ZFVIWGSSEXMSBM-SFHVURJKSA-N 435.528 1.364 0 40 IDAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2Cc1ccccn1 19698485 DLQXSZZFRIJQFA-SFHVURJKSA-N 444.561 1.993 0 40 IDAB Cn1cc(C(=O)N2CCOCC2)c(CC2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 19756255 GBWINKDVZJSSEX-UHFFFAOYSA-N 443.523 1.925 0 40 IDAB COc1ccccc1OCC(=O)N1CC[C@@H](c2ncc(C(=O)N3CCOCC3)c(C)n2)C1 19757626 JXXKNRINLNPYFL-QGZVFWFLSA-N 440.500 1.661 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3cccc(C)c3)CC2)cc1 22732992 FWHNLDQYDOFBBB-UHFFFAOYSA-N 447.557 1.505 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cnccn3)CC2)s1 26149353 TWGFFBATZQFPFW-UHFFFAOYSA-N 438.579 1.600 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)Cn1c(C)csc1=O 32726765 MAZFMTFTLZCIGH-CYBMUJFWSA-N 441.531 1.347 0 40 IDAB O=C(NCc1cccc(OCc2ccccc2)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 48288253 GHFARSPWAHQPRP-VQTJNVASSA-N 442.537 1.917 0 40 IDAB O=C(c1cn(-c2cc(N3CCSCC3)ncn2)cn1)N1CCN(c2ccccn2)CC1 49411322 UFYUEJXCRGPOBY-UHFFFAOYSA-N 436.545 1.573 0 40 IDAB CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)c1 62022889 AMBFVOCZNBQCQJ-HNNXBMFYSA-N 441.517 1.889 0 40 IDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2cc3c(cc2Cl)OCCO3)C[C@@H](C)O1 65575618 TVPBVICOEOHNTK-VXGBXAGGSA-N 433.914 1.672 0 40 IDAB CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 72306483 FCDFDUNWQSNHGR-PQLNIDLTSA-N 430.593 1.602 0 40 IDAB Cc1ccc(C(=O)N2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)c(=O)[nH]1 72335905 XEKDRBJOQWYKRE-UHFFFAOYSA-N 445.545 1.497 0 40 IDAB CC(=O)Nc1ccc(N(C[C@H](O)CNCCC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 95117140 YLTMSUCXWRWGHR-LJQANCHMSA-N 449.529 1.574 0 40 IDAB CCOC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)CCO)cc2)cc1 95960497 UILVFPUVHQKWAU-LFYBBSHMSA-N 439.511 1.830 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccco3)n(C3CC3)c2=O)cc1 211074928 ADBBSGWARBKQFT-UHFFFAOYSA-N 445.501 1.320 0 40 IDAB CCN(CC(=O)NCCSc1ncn[nH]1)S(=O)(=O)c1ccc(OC)c(Cl)c1 226071095 BEERKSALVZDCRH-UHFFFAOYSA-N 433.943 1.386 0 40 IDAB CCN1C[C@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)c(C)c4)nc(C(=O)NC)c32)C1=O 238791218 JVMYRXZOYAYKOL-LBPRGKRZSA-N 441.463 1.796 0 40 IDAB in-vitro O=C(CN1CCC(c2c[nH]c3ncccc23)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 533518961 DJHADCSHFRNNFG-GOSISDBHSA-N 445.589 1.074 0 40 IDAB CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H](n3cnc4ccccc4c3=O)C2)s1 575618219 UGDLVIQMDUMFEM-ZDUSSCGKSA-N 433.515 1.837 0 40 IDAB COc1cc(CN2CC[C@](O)(CN3CCN(C(C)=O)CC3)C2)ccc1OCCCN(C)C 585270970 CRWAQDXJVDLIGS-DEOSSOPVSA-N 448.608 1.127 0 40 IDAB COc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4OC)CC3)n2)cc1OC 1223081 GRAMWMDGUOJYQH-UHFFFAOYSA-N 438.488 1.715 0 40 IDAB COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 1313987 RCCLJFOGBNOCGB-UHFFFAOYSA-N 448.570 1.904 0 40 IDAB CCN(CC)CCCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 4272263 YNTILLAZQXBYEB-UHFFFAOYSA-N 428.533 1.531 0 40 IDAB CCn1c(COC(=O)CNC(=O)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 8826050 CZGGQDFHSBDVBM-UHFFFAOYSA-N 444.513 1.780 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 9493488 XUXIGXWRBPAUBQ-UHFFFAOYSA-N 436.534 1.829 0 40 IDAB O=C(NCCCN1CCCCC1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 9519417 WEYGCFVQZBVOBC-UHFFFAOYSA-N 440.544 1.675 0 40 IDAB CCCN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1nnc(-c2ccco2)o1 9723461 SBUPDMWREXHOOQ-UHFFFAOYSA-N 430.465 1.828 0 40 IDAB COC(=O)c1c(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)nc2ccccc2c1C 9865116 XWUYJMPRSPOHTB-UHFFFAOYSA-N 427.848 1.779 0 40 IDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)c1 11858111 CIDZIYYIVGLLOY-UHFFFAOYSA-N 440.499 1.880 0 40 IDAB CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)Cn1nc(C)c2ccccc2c1=O 12186164 JBFCIPGBOSQOQU-MRXNPFEDSA-N 433.472 1.042 0 40 IDAB O=C(CCS(=O)(=O)c1ccc(F)cc1)NCC(=O)NCCc1c[nH]c2ccccc12 12390732 OYDWMBRAAGERCX-UHFFFAOYSA-N 431.489 1.946 0 40 IDAB CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)NC(=O)NC1 12986389 JWPOAONPDUZUCX-UHFFFAOYSA-N 433.436 1.351 0 40 IDAB CC(C)[C@H](NC(=O)CN1CCC(NS(C)(=O)=O)CC1)c1ccc2c(c1)OCCCO2 15524960 AWDRUJGHRRSQJV-NRFANRHFSA-N 439.578 1.675 0 40 IDAB Cc1cc(Cl)c2c(c1)[C@@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 16020145 KCSUZGNYMXHPDB-SKGWCBBHSA-N 444.919 1.577 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)NC(=O)N[C@H]1C 16044743 RJDGYKWLWQNCCU-STQMWFEESA-N 431.445 1.110 0 40 IDAB CCN(CC)CCN1C(=O)[C@@H]2CN(C(=O)[C@H](N)C(C)C)C[C@]2(C)NC(=O)c2ccccc21 19526385 HBFCHQDWPMWDPY-NRYAXDJKSA-N 443.592 1.305 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)cc1 19557089 DFIZGFZDXPHKRO-FQEVSTJZSA-N 448.541 1.896 0 40 IDAB CC(=O)NCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)C1 19738803 ADDWBGBINROOFG-QGZVFWFLSA-N 439.491 1.856 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20460325 MKGULRRWLPQQJH-SFHVURJKSA-N 433.486 1.229 0 40 IDAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c12 25739932 KXRDUENLDNXDKP-UHFFFAOYSA-N 447.492 1.902 0 40 IDAB C[C@H]1Oc2ccccc2N(CCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)C1=O 32842861 RGBWLIZEPKFNQY-CQSZACIVSA-N 434.470 1.460 0 40 IDAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 35828521 GGTHKMHFWXWEAZ-UHFFFAOYSA-N 440.456 1.953 0 40 IDAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1nc2ccccc2[nH]1 40070033 PQOZEGARODSBDZ-ZDUSSCGKSA-N 427.486 1.174 0 40 IDAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(-n2cncn2)nc1 48235176 BRENAUBTNUJQKD-GOSISDBHSA-N 426.502 1.055 0 40 IDAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 89794418 CDXXPWQTDPUNHN-RDJZCZTQSA-N 436.534 1.088 0 40 IDAB O=C(CNS(=O)(=O)c1cccc(Cl)c1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104272 VPPKSILGEGKMND-UHFFFAOYSA-N 446.909 1.442 0 40 IDAB Cc1ccc(CNC(=O)C[C@@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)cc1 96901139 JLULVRILVPQWGD-SFHVURJKSA-N 432.480 1.646 0 40 IDAB COCCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(S(N)(=O)=O)ccc21 100872917 YIELNORVODGOKW-VZCXRCSSSA-N 433.511 1.940 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1 224392288 BGCNOXFGDKSLFG-KRWDZBQOSA-N 427.523 1.541 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC[C@H]2CCCO2)cc1 245039161 OIMMMHOBHQVJNK-ZWKOTPCHSA-N 437.562 1.340 0 40 IDAB COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1 408614922 JURJVJNZAZDCQQ-IBGZPJMESA-N 439.512 1.887 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N(CCCCCC(=O)O)[C@@H]2CCS(=O)(=O)C2)c1 575423905 SNVTWXZUHUGIQO-CQSZACIVSA-N 449.547 1.527 0 40 IDAB COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)C1=O 824411941 IXVCBUIISUGLBM-UHFFFAOYSA-N 435.477 1.228 0 40 IDAB Cc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)nc(N2CCCC2)n1 1570000232 SCMJZCAFDGUQNS-QUCCMNQESA-N 441.507 1.345 0 40 IDAB O=C1[C@H]2CN(S(=O)(=O)c3cccnc3)CCN2C2(CCOCC2)N1Cc1ccccc1 1772595834 NGYQZVINVAQVEH-HXUWFJFHSA-N 442.541 1.306 0 40 IDAB COc1nccnc1N(C)CC1CCN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CC1 1775978593 UTDGJZYZIPRLRY-UHFFFAOYSA-N 447.517 1.467 0 40 IDAB COc1cc(CN(C)C[C@]2(O)CCCN(c3cnccn3)C2)ccc1OCCN(C)C 2037921704 SIQLMVIQLNSVQE-HSZRJFAPSA-N 429.565 1.889 0 40 IDAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c2C1 3359766 VQBFOWLZIZZBNN-GFCCVEGCSA-N 436.468 1.379 0 40 IDAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3414543 KXHGSUGAWDBHEL-HNNXBMFYSA-N 447.513 1.918 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)NCc1ccccc1Cl 9001645 LMKJRYCLZRXXAS-UHFFFAOYSA-N 435.871 1.971 0 40 IDAB NC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)CC1 9129266 CHGADLDYISYWCF-UHFFFAOYSA-N 425.894 1.749 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)ccc1OC 10783273 VMXBQZRQHBYTNP-UHFFFAOYSA-N 431.514 1.638 0 40 IDAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 12123580 LHAXMSBYJWZXNK-UHFFFAOYSA-N 442.501 1.644 0 40 IDAB COCCNC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1cc(C)on1 12490892 VSRDDSCFWHSTJR-UHFFFAOYSA-N 446.460 1.222 0 40 IDAB O=C1[C@H]2C3C=CC([C@@H]2C(=O)N1Cc1cccnc1)[C@H]1C(=O)N(Cc2cccnc2)C(=O)[C@@H]31 13777933 OROWPZZWTYLNEV-GJTWTXHOSA-N 428.448 1.195 0 40 IDAB CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)N[C@@H]3CCCc4ccccc43)c2c1 14351984 OGRUJGKLYATFHR-QGZVFWFLSA-N 429.502 1.304 0 40 IDAB COc1ccc(CNC(=O)CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1OC 16028632 CANIEVJJEIJTGQ-ZWKOTPCHSA-N 439.512 1.908 0 40 IDAB O=C(NCC[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CCO1)c1ccc(-n2cnnn2)cc1 19712049 NCMJNGPLNZPLSZ-QUCCMNQESA-N 441.513 1.804 0 40 IDAB Cc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 21149849 IAKPQVGZGLOYJP-UHFFFAOYSA-N 434.472 1.755 0 40 IDAB COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCN(C(C)=O)CC2)cc1 22698526 MDXISOVCXQNUDC-UHFFFAOYSA-N 428.489 1.168 0 40 IDAB CC(=O)OC1[C@H](OC(C)=O)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@@H]1OC(C)=O 28539574 MYQGCBXRGIEDNW-GOOCMWNKSA-N 432.212 1.662 0 40 IDAB COc1ccc(-c2nnc(SCC(=O)NCCOc3ccccc3)n2N)c(OC)c1 32724416 PWKKTILACVBLGX-UHFFFAOYSA-N 429.502 1.963 0 40 IDAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1 36048067 YJZVIVYSPAYRTN-UHFFFAOYSA-N 427.592 1.766 0 40 IDAB O=CN1CCN([C@@H](C(=O)O)c2cn(CCC(=O)O)c3ccc(Br)cc23)CC1 36359786 OCIMFLOPKDIGKG-QGZVFWFLSA-N 438.278 1.778 0 40 IDAB Cc1cccnc1NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 36359904 XVFQISHNRMOEFY-INIZCTEOSA-N 444.513 1.403 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 57323247 FDNXRXMZSVZUOY-AWEZNQCLSA-N 447.399 1.980 0 40 IDAB Cc1ccc(C)c(Cn2c(NCCNC(=O)C3CCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 57681238 RCEZXNDBNNCABV-UHFFFAOYSA-N 438.532 1.427 0 40 IDAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)C(=O)NC2 58154648 CKFQHSFLJCFWIH-UHFFFAOYSA-N 429.498 1.522 0 40 IDAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)NCCCn3nc4n(c3=O)CCCC4)c2)n1 69491059 QMYQDDKSGLPNNP-UHFFFAOYSA-N 437.504 1.906 0 40 IDAB C[C@@H](NC(=O)C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccccc1 70902413 RBAWIZZEUJJHAL-MRXNPFEDSA-N 430.530 1.476 0 40 IDAB CN(CC[C@H]1CCCCN1C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 72305214 QSRGEJLNSSSVCS-GOSISDBHSA-N 440.585 1.465 0 40 IDAB COc1ccc2cnn(CC(=O)N3CCN(CCc4ccccn4)CC3)c(=O)c2c1OC 79493203 UEGVLEWZVMFYMY-UHFFFAOYSA-N 437.500 1.196 0 40 IDAB COc1ccc(C(=O)NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c(OC)c1 89434770 BUEHELABRVYNHU-UHFFFAOYSA-N 426.834 1.807 0 40 IDAB COC(=O)CCN1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)[C@@H](C)C1 95460658 JCRCERJCYCAREO-HNNXBMFYSA-N 446.573 1.823 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 102330796 GECBPMWPXOXFKH-KCESLBEFSA-N 437.452 1.182 0 40 IDAB COc1cccc(CNC[C@@]2(COc3ccc(S(C)(=O)=O)cc3)C[C@H](O)[C@H](O)C2)c1 107430511 FOVLZXXJMDZBLT-ZBYYUNFXSA-N 435.542 1.769 0 40 IDAB biogenic,in-vitro C[C@](O)(CNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)c1ccc2c(c1)OCO2 206659007 DDFZDZQYTRBZIB-NRFANRHFSA-N 430.482 1.437 0 40 IDAB COc1ccc(-c2noc(CNC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)n2)cc1 219270482 BNNXXHNLQVRAPI-KRWDZBQOSA-N 444.469 1.589 0 40 IDAB COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222741895 FFRCAOBNBYZTSB-KRWDZBQOSA-N 447.557 1.620 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NC[C@H]1COc2ccccc2O1 225282032 XXSBUEXGOWMWLZ-INIZCTEOSA-N 434.514 1.834 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)COc2ccc(Cl)cc2)CC1 253470965 AHKMGEOROKOAIQ-UHFFFAOYSA-N 440.953 1.992 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408652381 CKQFDTQWATVDAB-ZBERQUOHSA-N 440.452 1.541 0 40 IDAB CCN(CC)C(=O)CSC(Nc1ccc(OC)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 409375862 QAROMUDYGOUVMU-UHFFFAOYSA-N 434.518 1.971 0 40 IDAB COc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1 575426742 ZEEJKIVRUQVNPO-CVEARBPZSA-N 427.500 1.057 0 40 IDAB COCC(=O)N1CCCN(C(C)C)CCN(C(=O)CN2CCCC2=O)Cc2ccccc21 643554588 LXPREIKHSPXVLN-UHFFFAOYSA-N 444.576 1.731 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 9068059 RUVIYIUJIADGGH-QGZVFWFLSA-N 429.454 1.371 0 40 IDAB COc1cc(C(=O)Nc2cccc(-n3cnnn3)c2)ccc1OCC(=O)N1CCOCC1 9495724 URXOCBKKUDQSBM-UHFFFAOYSA-N 438.444 1.161 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)c1 9646476 LAJDVERKGCCXCZ-UHFFFAOYSA-N 426.498 1.687 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cccc(F)c4)[C@H]3C2=O)cc1OC 9675590 OSIBDANQJVOQNR-QZTJIDSGSA-N 427.392 1.775 0 40 IDAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)o1 9707619 RPYQJITVBOKNBP-UHFFFAOYSA-N 435.483 1.943 0 40 IDAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(C(=O)c2ccco2)CC1 11613625 QXKHVUUCVSLUBK-CQSZACIVSA-N 428.514 1.737 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnnn1-c1ccc(O)cc1)n2CC 12519871 YYALCBIXCPNNBN-UHFFFAOYSA-N 442.505 1.680 0 40 IDAB CCCn1c(N)c(N(CCOC)C(=O)COc2ccc(F)c(Cl)c2)c(=O)[nH]c1=O 12904236 UCCWMUGPYWRYOG-UHFFFAOYSA-N 428.848 1.380 0 40 IDAB COCCCN(C(=O)COc1ccccc1OC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13039275 DYFVZGSQFAWIDH-UHFFFAOYSA-N 434.493 1.232 0 40 IDAB C[C@H](OC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 13040859 PPGUXIKVUHGGEQ-NEPJUHHUSA-N 445.453 1.413 0 40 IDAB COc1ccc2[nH]cc(CCNC(=O)CNC(=O)Cc3n[nH]c(=O)c4ccccc34)c2c1 13571058 XLEUFTOSBCDCIS-UHFFFAOYSA-N 433.468 1.431 0 40 IDAB Cc1cc(C(=O)CN2C(=O)CN(C)C2=O)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 14142397 JBEBZVOTPWZUBJ-UHFFFAOYSA-N 435.484 1.969 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 14184847 FOOWWCQDWAYQCK-CSNVJCEJSA-N 436.530 1.973 0 40 IDAB O=C(COc1ccc(Cl)cc1)NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1 15083253 RMXISYOZQNVISY-UHFFFAOYSA-N 439.259 1.546 0 40 IDAB CN(Cc1ccccc1)C(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19077242 RQYBNFHKHDXJAS-UHFFFAOYSA-N 445.570 1.656 0 40 IDAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCOCC3)cc2c1 19519914 PUUDIARHAQSKDZ-YLJYHZDGSA-N 440.504 1.514 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccs3)[nH]c2=O)C1 19520474 CFTROXCUNWCNOT-OAHLLOKOSA-N 436.559 1.907 0 40 IDAB O=C1COc2ccc(C(=O)COC(=O)CCn3nc(-c4cccs4)oc3=O)cc2N1 21738603 FNRHAZNOPCCGTH-UHFFFAOYSA-N 429.410 1.712 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(N2CCCCC2)nc1 25065027 XEOFVDQGMCFRFW-UHFFFAOYSA-N 426.521 1.872 0 40 IDAB CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 32768352 UQHZZQSWUUMVPH-UHFFFAOYSA-N 427.910 1.840 0 40 IDAB COc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2OC)CC1 35681708 CYVWEVACHYRRLI-UHFFFAOYSA-N 426.516 1.399 0 40 IDAB O=C(NCc1cccc(OCc2ccccn2)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 48367340 AGSGVCBEMWDBAO-MJGOQNOKSA-N 443.525 1.312 0 40 IDAB COc1ccccc1NC(=O)CSc1nnc(NC(=O)CN(C)S(C)(=O)=O)s1 48984827 OZVJCWPNXBVANJ-UHFFFAOYSA-N 445.548 1.107 0 40 IDAB O=c1n(Cc2cc(F)cc(F)c2)nc2ccc(S(=O)(=O)N3CCSCC3)cn12 49408170 RNOPDGPAWULCJT-UHFFFAOYSA-N 426.470 1.560 0 40 IDAB CCOC(=O)[C@@H]1CCCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C1 57449194 ATYWSNFJMXXCSG-QGZVFWFLSA-N 442.516 1.118 0 40 IDAB CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 59118103 CRGXDGUYFHRIEZ-GOSISDBHSA-N 433.530 1.635 0 40 IDAB Cc1ccc(N2N=C(C(=O)N3CCC4(CC3)OCCO4)S(=O)(=O)c3cccnc32)cc1 67244898 IWNVUWKYPLJGSI-UHFFFAOYSA-N 442.497 1.994 0 40 IDAB COCc1cc(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c(N2CCCC2)n1 67256831 YXXQQGPKOFFCCM-UHFFFAOYSA-N 430.505 1.366 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccc(C)cc1N2 72327947 SJWMRANMENYLPN-GGUMNFRJSA-N 441.576 1.848 0 40 IDAB CC[C@H](C)c1c(O)nc(SCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)[nH]c1=O 100764114 QGOFAJNZBOKJRV-IHRRRGAJSA-N 430.530 1.889 0 40 IDAB biogenic CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)CN2CCN(CCO)CC2)n1 257241506 HYGVRMIBFGWUEP-FQEVSTJZSA-N 426.565 1.664 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3cn4cccnc4n3)CCN2C)cc1C 257322049 WEKBAOHQBLYUJQ-LJQANCHMSA-N 436.516 1.161 0 40 IDAB CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)Cn1c(-c2cscn2)nc2ccccc21 506690891 TWEJEJNDHNCZII-UONOGXRCSA-N 433.559 1.994 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(Cc1cncn1C)C2 1549168332 VBVZJVPKOLSSFA-OAQYLSRUSA-N 437.544 1.481 0 40 IDAB CN(C(=O)c1ccc(N2CCCC2)nn1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 1565523526 RKQOPQWZCLSGSU-UHFFFAOYSA-N 435.536 1.773 0 40 IDAB Cn1cnc(C(=O)N2CC[C@]3(c4ccccc4)CCc4nnc(C(=O)NC5CC5)n4C[C@H]23)n1 1565555478 IRBYTRAQCIPVIZ-SBUREZEXSA-N 446.515 1.098 0 40 IDAB CCOC(=O)[C@](NNS(=O)(=O)c1ccc(C)cc1)(NC(=O)CC(C)C)C(F)(F)F 2050551 NUPJFDXGJGNUHN-MRXNPFEDSA-N 439.456 1.762 0 40 IDAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2N)c1 2370819 QGPYAPTYHDTBKY-UHFFFAOYSA-N 448.530 1.436 0 40 IDAB COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)c1cccs1 5398189 CFZPEVDQPFHVMY-GDBMZVCRSA-N 444.513 1.784 0 40 IDAB biogenic,in-vitro COc1ccc([C@@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)Nc3nc(SC)nn32)cc1 9129092 DGKMSOPAMVEPFC-ZDUSSCGKSA-N 428.474 1.718 0 40 IDAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)NC1CCCCC1 9632901 YPMCUYFZUNMUHP-UHFFFAOYSA-N 428.482 1.452 0 40 IDAB C[C@@H]1Oc2ccc(NC(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cc2NC1=O 9834475 WNWNWKKXHLKRIG-AMXDTQDGSA-N 436.424 1.574 0 40 IDAB CCOc1ccc2nc(Nc3nc(CSc4nnnn4C)cc(=O)[nH]3)nc(C)c2c1 9938944 KOJJCIUFTKMOPL-UHFFFAOYSA-N 425.478 1.980 0 40 IDAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 10717375 BKOTVBMRORMQBT-UHFFFAOYSA-N 432.454 1.995 0 40 IDAB O=C1N[C@]2(CCCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2)Nc2ccccc21 12089279 NUJSCOKJMBMMFQ-NRFANRHFSA-N 440.481 1.005 0 40 IDAB Cc1ccc(-c2nnn(CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)cc1 12472920 RCNMZFPDIJCSDQ-UHFFFAOYSA-N 429.502 1.748 0 40 IDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CCNS(=O)(=O)c2ccccc2F)c1 12797418 VLPQXSDKELIIPS-UHFFFAOYSA-N 430.479 1.632 0 40 IDAB O=c1n(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc2ccccn12 12888892 GVTAZIYNTOLKSL-UHFFFAOYSA-N 442.328 1.767 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 15391586 FNEFWVWVNHWZNZ-CYBMUJFWSA-N 434.470 1.559 0 40 IDAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)N1CCN(c2ccccn2)CC1 16251741 DYLCNZQZZBRMQU-QGZVFWFLSA-N 426.498 1.777 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1 18062603 FGCHNUWBLFMHKA-UHFFFAOYSA-N 427.490 1.165 0 40 IDAB CCOC(=O)C1=NN[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]12 18169801 PEGQUHIGERVKBN-NXEZZACHSA-N 433.774 1.042 0 40 IDAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C(=O)c3cnccn3)[nH]c(=O)c2C1 19342815 FMIJTPCDPISOKU-INIZCTEOSA-N 436.497 1.797 0 40 IDAB CCCN1CCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccc(C)cc2N3)CC1 19503380 RSBGXDFKNPTOBA-UUOWRZLLSA-N 441.576 1.802 0 40 IDAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCOCC3)cc2c1 19519912 PUUDIARHAQSKDZ-FXAWDEMLSA-N 440.504 1.514 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc(OC)cc3)[nH]c(=O)c2C1 19592901 CUTNZSSDIKMIIJ-IBGZPJMESA-N 440.500 1.677 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)CC(C)C)CC2)NC(=O)N[C@@H]1c1ccc(C)o1 24828848 CMJFMFUXJWNDRP-HXUWFJFHSA-N 432.521 1.949 0 40 IDAB O=CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 26109842 QMVTVMWFBUQXAE-AWEZNQCLSA-N 448.372 1.836 0 40 IDAB Cc1nc(N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c2c(C)c(C)sc2n1 32855719 BXPKFXVXAIPUOO-UHFFFAOYSA-N 448.574 1.565 0 40 IDAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nn(CN2CCN(C(=O)OC(C)(C)C)CC2)c1=S 32869481 VGGQMUCHVBREFJ-CQSZACIVSA-N 445.611 1.438 0 40 IDAB CCN(C(=O)COC(=O)C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC)C1CCCCC1 39547418 FHLJFWXRVKZBQW-UHFFFAOYSA-N 436.505 1.824 0 40 IDAB COCCn1c(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952885 WSZRNNVDWABYGH-UHFFFAOYSA-N 432.912 1.045 0 40 IDAB Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)Nc3ccc(-n4cnc5ccccc54)cc3)nc21 70013040 DFHLQMBGUPSNNZ-UHFFFAOYSA-N 429.440 1.860 0 40 IDAB Cc1c(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)nnn1-c1cccc2cnccc12 79094313 KGORVHKPFUEUHH-NVXWUHKLSA-N 428.518 1.572 0 40 IDAB CC1(C)C(=O)N2c3ccccc3[C@]3(C[C@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@H]2N1O 85564469 NRWLZYIHXSJKCU-XTQVGHSUSA-N 432.436 1.936 0 40 IDAB biogenic,in-vitro Cc1c(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cnn1CCO[C@@H]1CCCCO1 89544829 GCERJPSZEVOTRK-JOCHJYFZSA-N 447.580 1.505 0 40 IDAB Cc1csc2ncc(C(=O)NCCNC(=O)c3cccc(Br)c3)c(=O)n12 95463684 PIIOZIPTDNAVAH-UHFFFAOYSA-N 435.303 1.987 0 40 IDAB Cc1cccc(CN2CCC3(CC2)O[C@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)n1 96243774 CTOXFXLGOFBJQT-PMACEKPBSA-N 425.533 1.772 0 40 IDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCCNC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)OC2=O 100277719 XGRKUKXYQLTUHB-SSGKUCQKSA-N 434.533 1.853 0 40 IDAB CC(C)(CNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)CNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 102305998 BWDKSEMRRGORJK-ZEWJFTRYSA-N 434.533 1.739 0 40 IDAB Nc1nc(N)c2c(n1)O[C@]1(CCCN(C(=O)CCNc3ncnc4ccccc34)CC1)C2 257248682 JETHNQSJVSNOFL-QFIPXVFZSA-N 434.504 1.773 0 40 IDAB CNC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)CCN4CCC(C)=N4)CCO3)n2)cn1 257257917 KRPXPKRGBOXHPU-NRFANRHFSA-N 436.516 1.875 0 40 IDAB CCc1nccn1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 257307301 SYBWFJHCZWIWJU-FPOVZHCZSA-N 440.544 1.991 0 40 IDAB COCC(=O)N1CCN(CC2(O)CCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 585284735 ZMTBPDQXJBOLPO-OAQYLSRUSA-N 428.476 1.170 0 40 IDAB O=C1NC2(CCCC2)C(=O)N1CCN1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 607732086 FEOUGDHYNQUCLJ-LJQANCHMSA-N 425.533 1.274 0 40 IDAB O=C1CCCN1c1cccc(OCC(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)c1 680504040 SBQZGCUJLUKODU-LJQANCHMSA-N 443.525 1.803 0 40 IDAB Nc1nc(Cl)c(N)c(NC[C@@H](O)COc2ccc(I)cc2)n1 1651485111 LSIRZGOSVHKLHJ-MRVPVSSYSA-N 435.653 1.751 0 40 IDAB O=C(Cn1c(-c2ccccc2)noc1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1332529 LZXNJUUBJWGUAB-UHFFFAOYSA-N 444.469 1.163 0 40 IDAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCO)CC(=O)N32)cc1OC 2101601 WLUQOEBTDFZYSH-MBSDFSHPSA-N 435.480 1.862 0 40 IDAB biogenic O=C(NCCC1=CCCCC1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1 3027772 YNABVXCGEOWXDK-INIZCTEOSA-N 441.575 1.608 0 40 IDAB CCCCn1c(SCC(=O)NCc2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C 6162131 JIRGPHGBFXBMJL-UHFFFAOYSA-N 445.545 1.651 0 40 IDAB COC(=O)COc1c(I)cc(/C=C2/NC(=O)NC2=O)cc1OC 9322148 JDWQNXASEXFBPU-RUDMXATFSA-N 432.170 1.032 0 40 IDAB COC[C@@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 10219876 HDENEMTUNXSRNY-SNVBAGLBSA-N 426.882 1.044 0 40 IDAB CCc1c(C)sc2nc(SCC(=O)NCC(=O)OC)n(C[C@H]3CCCO3)c(=O)c12 11772518 BYQMEFALJGVYJM-GFCCVEGCSA-N 439.559 1.889 0 40 IDAB CN(C)CCCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21 12233354 UYVCSOQYQAEFFQ-HNNXBMFYSA-N 430.509 1.826 0 40 IDAB C[C@@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12)C(=O)Nc1ccccc1O 12660139 LPLHLJDAFSPKOR-LQKVPRFTSA-N 436.461 1.232 0 40 IDAB biogenic CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(N)=O)CC1 13555060 JAQOPFGIABGLHP-NBQZKYEYSA-N 446.523 1.433 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 13573241 GCIOUAJSSPCYOF-MVOHMCPASA-N 449.507 1.619 0 40 IDAB CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 13692009 GPLCAEPYNLSMQM-STQMWFEESA-N 432.365 1.612 0 40 IDAB COc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1S(=O)(=O)NC1CC1 14244805 HHFMYVKRJBMYDK-UHFFFAOYSA-N 436.490 1.035 0 40 IDAB CCn1cncc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 19578501 XXDWYXIBVBFVNG-SFHVURJKSA-N 440.479 1.676 0 40 IDAB Cc1cc(C)n(CC(=O)N2CCO[C@@H](c3c(C(N)=O)sc4ccccc34)C2)c(=O)n1 19697789 HQLCYRAMXRVYQK-OAHLLOKOSA-N 426.498 1.774 0 40 IDAB CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc([C@@H]2CCCNC2)n1 19709583 GEOWKFUZESYIFP-OAHLLOKOSA-N 444.561 1.691 0 40 IDAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21 20463775 URWCWIVPIQZURH-UHFFFAOYSA-N 443.525 1.695 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O[C@@H](C(N)=O)c3ccccc3)C2)cc1 21522889 HRBPMHDJFSGOPA-VQIMIIECSA-N 432.498 1.866 0 40 IDAB COc1cc(CN(C)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)ccc1OC(F)F 24927967 GKBNYSTWMCHIGN-UHFFFAOYSA-N 434.399 1.514 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 32138824 KXOOYMPHUPMNSA-RTEYEHBSSA-N 449.799 1.304 0 40 IDAB COCCCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)CC1 32797403 GBZKUVRYJXHWII-OAHLLOKOSA-N 426.945 1.446 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)Nc1ccc(C)cc1F 32911230 KWLFOIDYVFHYSB-UHFFFAOYSA-N 434.420 1.729 0 40 IDAB O=C(COc1coc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1=O)N1CCOCC1 36358839 BTEMUMQTTSWEMR-UHFFFAOYSA-N 447.919 1.853 0 40 IDAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@H]1CCCN(C(=O)N2CCCC2)C1 48333392 GTLMSCPVVMZUAD-SFHVURJKSA-N 434.562 1.423 0 40 IDAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)c1 59488011 VDTPQSMPHAKDCF-YRMIPTGESA-N 429.448 1.988 0 40 IDAB biogenic CC(C)(C)S(=O)(=O)c1ccc2nn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)n2n1 64775372 AHHVNTQLRXOWOC-UHFFFAOYSA-N 429.502 1.591 0 40 IDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)C1 69808089 OUHYTMMOPJTSAN-SFHVURJKSA-N 431.518 1.557 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)CC2)Nc2ccccc21 72325998 OLAMMIFXFAGJMT-CQLNOVPUSA-N 440.544 1.704 0 40 IDAB CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1 72334965 FOEXZERNTOVZCP-HNNXBMFYSA-N 439.497 1.710 0 40 IDAB CN(C)c1ncc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cn1 72340590 LSZYHSZNDRQPBN-FQEVSTJZSA-N 425.512 1.819 0 40 IDAB O=C1NCCc2ccc(NS(=O)(=O)c3ccc(N4CCCCS4(=O)=O)cc3)cc21 77200983 DDUCHKGVFBLYEL-UHFFFAOYSA-N 435.527 1.703 0 40 IDAB COCCn1cnc2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2c1=O 96115025 GKWCAUPMNLUHLX-IBGZPJMESA-N 449.467 1.512 0 40 IDAB biogenic Cn1c(=O)c2c(nc(-n3nc(-c4ccco4)cc3O)n2CCc2ccccc2)n(C)c1=O 103817817 KRYBCOPJTBDIKR-UHFFFAOYSA-N 432.440 1.828 0 40 IDAB NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 223296345 ZMNGJUIDXUDVLW-UHFFFAOYSA-N 432.239 1.956 0 40 IDAB CN([C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1)S(C)(=O)=O 225318927 ZZIPKQTWDYZEPO-OAQYLSRUSA-N 445.541 1.692 0 40 IDAB CS(=O)(=O)N1CCC[C@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 260503950 ALCAXMGTNURDTN-LBPRGKRZSA-N 443.323 1.787 0 40 IDAB CN(Cc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1)S(C)(=O)=O 408703420 RJLXDDFTRGXHTL-UHFFFAOYSA-N 435.521 1.945 0 40 IDAB C[C@@H]1C(=O)Nc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN(C)C)ccc2N1C 510705859 SSAUQJPRDNTOPL-UZLBHIALSA-N 437.544 1.482 0 40 IDAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(CC1CC1)C2 514287611 QOCOYWNDBXQIBK-JBISBCIJSA-N 443.544 1.077 0 40 IDAB COc1cc2ncn(CC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)c(=O)c2cc1OC 524731711 IGKOOIADSZKOFQ-RVKKMQEKSA-N 440.500 1.273 0 40 IDAB biogenic O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1S(=O)(=O)C(F)F 575606905 GXOGTEMZSVSQDP-CYBMUJFWSA-N 436.502 1.064 0 40 IDAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C2CCN(S(C)(=O)=O)CC2)C1 585182355 DVCYTDDHRIZQPM-CYBMUJFWSA-N 437.591 1.606 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCN(C3CCCCCC3)CC2)C1 585292224 YLWGUVKVNZPYEW-YADHBBJMSA-N 437.606 1.123 0 40 IDAB COc1ccc([C@@H]2CC(=O)Nc3nc(N4CCN(C)CC4)nc(O)c32)c(OC)c1OC 670416125 OGKNMGDZVLYJOO-ZDUSSCGKSA-N 429.477 1.434 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(S(=O)(=O)C(C)C)C2 1549167973 SCFVCQNJFWRHKK-LJQANCHMSA-N 449.573 1.286 0 40 IDAB CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)Cn3ccccc3=O)N2Cc2ccccc21 2055746313 NFYCDDZJOFZJOP-WOJBJXKFSA-N 437.544 1.936 0 40 IDAB COC1(C)CCN(C(=O)[C@@H]2C[C@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1 2056226490 SGWXXMSNNVRPJL-IFXJQAMLSA-N 444.454 1.887 0 40 IDAB Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3557219 IZAYBZIVVVLHNA-UHFFFAOYSA-N 432.498 1.678 0 40 IDAB COc1cccc(NC(=O)CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 9047513 YXMLBRDFLVMRCB-INIZCTEOSA-N 431.514 1.851 0 40 IDAB CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1 9670339 FIHWAATUBATQRO-FQEVSTJZSA-N 431.558 1.610 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cnccn4)CC3)CC2)cc1 11086414 GXZYOGDASSDDKU-UHFFFAOYSA-N 429.546 1.535 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 11406679 QVSVHVJVZUCGEO-HNNXBMFYSA-N 437.504 1.306 0 40 IDAB COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 12029479 BYLWECWSPSSSNL-LJQANCHMSA-N 437.539 1.629 0 40 IDAB CCN(CCc1ccncc1)C(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029500 LYXYKADUOAPWGY-IBGZPJMESA-N 436.555 1.747 0 40 IDAB Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)NCC34CC5CC(CC(C5)C3)C4)=C2)cnn1C 12155145 JGAPRUSKVYPFRT-UHFFFAOYSA-N 431.562 1.924 0 40 IDAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1 12444079 CZVJKVNFBHAZBI-UHFFFAOYSA-N 437.865 1.555 0 40 IDAB COC[C@H](C)n1c(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O 12533169 OHODDAOJSYKKKF-KBPBESRZSA-N 439.559 1.342 0 40 IDAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 12980465 VFBLZBFVABUTPF-UHFFFAOYSA-N 432.502 1.366 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 13030246 XZIDECJUCJHKKJ-MRXNPFEDSA-N 430.530 1.427 0 40 IDAB Cn1c(=O)n(Cc2cccnc2)c(=O)c2c(N3CCN(C(=O)c4ccco4)CC3)ccnc21 13037103 USOOAKWZZAQGRA-UHFFFAOYSA-N 446.467 1.094 0 40 IDAB CC(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 13513623 KAXIZHHYRQQZNT-MRXNPFEDSA-N 445.607 1.500 0 40 IDAB O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(N2CCOCC2)cc1 18046053 FNCKVBDMJZBDAO-UHFFFAOYSA-N 436.468 1.874 0 40 IDAB C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1)c1ccccc1 19459038 HNWKTKJHVIIWMP-ZBFHGGJFSA-N 430.530 1.207 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 19520272 HPAXFSBPJFEMEN-GOSISDBHSA-N 445.545 1.557 0 40 IDAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)=C2)c1 20312880 XDZYWAOQTZACNI-UHFFFAOYSA-N 448.545 1.275 0 40 IDAB Cn1cccc1[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)N1CCc2ccccc2C1 21151965 OTHLUSVBCPMXAO-JOCHJYFZSA-N 444.601 1.912 0 40 IDAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(CCO)CC2)cc1OC 22875327 XCJCPPSKBDLPAE-QGZVFWFLSA-N 433.534 1.521 0 40 IDAB COc1ccc([C@H](CNC(=O)CNC(=O)NCc2ccc(F)cc2)N2CCOCC2)cc1 29901003 ULTUYBGAGMQKBB-NRFANRHFSA-N 444.507 1.823 0 40 IDAB CCc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773677 OXCCUBQSSUQXKP-RBUKOAKNSA-N 428.510 1.992 0 40 IDAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1nc2ccccc2s1 32104557 RMOGOXLWLPQONR-HNNXBMFYSA-N 430.511 1.814 0 40 IDAB NS(=O)(=O)c1ccc(OCCOC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 32747424 VPKPGKZEZXXJAN-UHFFFAOYSA-N 440.861 1.908 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)n2C)n(C)c1=O 35312949 ABASLNCGYSMYIB-UHFFFAOYSA-N 429.546 1.890 0 40 IDAB Cn1c(=O)c2c(nc(N3N=C(c4ccco4)CC3=O)n2CCCc2ccccc2)n(C)c1=O 36390471 POGFTCKNAOSNJR-UHFFFAOYSA-N 446.467 1.801 0 40 IDAB CC[C@]1(C)NC(=O)N(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O 37210484 FEYOJZLQSVQKAN-VGSWGCGISA-N 443.504 1.018 0 40 IDAB CCOc1ccccc1NC(=O)Cn1c(=O)n(CC(N)=O)c(=O)c2oc3ccccc3c21 49402439 DVSBEZNOJCVUHI-UHFFFAOYSA-N 436.424 1.432 0 40 IDAB COC(=O)c1ccc(Cn2nc3ccc(S(=O)(=O)N4CCCCCC4)cn3c2=O)o1 49408064 SACHFHJKONACRU-UHFFFAOYSA-N 434.474 1.489 0 40 IDAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)c1 57520618 AZAMCGNQEGADQV-UHFFFAOYSA-N 427.486 1.598 0 40 IDAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)ncn3n2)c1 71010748 UGUWUDQMSNAWGY-UHFFFAOYSA-N 443.511 1.919 0 40 IDAB COc1ccc(OC)c(CN2CCN(C(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)c1 103044198 NTCKDMKOVFGFEX-PMACEKPBSA-N 441.528 1.689 0 40 IDAB CS(=O)(=O)N(CCCC(=O)NCCN1CCOCC1)c1ccc(Cl)c(Cl)c1 222382308 SSGSQJQKDSXXRZ-UHFFFAOYSA-N 438.377 1.988 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(CC(N)=O)cc1 222773814 VPVNNOXMYJCURS-UHFFFAOYSA-N 431.514 1.825 0 40 IDAB O=C(CN1CCN2CCCC[C@H]2C1)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 257207917 BJXOSFRBEVEIIU-PMACEKPBSA-N 427.593 1.846 0 40 IDAB Cc1cc(C)n(CCNC(=O)[C@H]2CN(C(=O)c3cccc(N4CCCC4)c3)CCN2C)n1 257300760 RVOZQUZBUPTGLF-JOCHJYFZSA-N 438.576 1.673 0 40 IDAB Cn1nccc1C(=O)N1C[C@H]2[C@@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccc1 306124809 CAASOFGIAMKYCM-ZWKOTPCHSA-N 439.497 1.292 0 40 IDAB NS(=O)(=O)c1ccccc1CNC(=O)N1CCN(c2ncnc3ccsc23)CC1 513710455 STVVIXSQZVYXCM-UHFFFAOYSA-N 432.531 1.371 0 40 IDAB CCn1c(N2C[C@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@H]3C2)nc2ccccc21 1888899169 RHNFDZRPIHDPLS-HDICACEKSA-N 445.589 1.622 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN=C1SCc1cccnc1 4034519 SKZVVACTUGSLKY-UHFFFAOYSA-N 446.554 1.848 0 40 IDAB O=C(Cn1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O)NCc1ccc2c(c1)OCO2 9517783 GMHAXSVMDDLXDE-UHFFFAOYSA-N 438.831 1.676 0 40 IDAB O=C(CSc1nncn1C1CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 10649446 PVERHKHYWMPSSQ-UHFFFAOYSA-N 425.511 1.377 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccccc2F)n(C)c1=O 12231748 CSEKUPKYIJJAOG-UHFFFAOYSA-N 440.435 1.060 0 40 IDAB COC[C@@H](C)n1c(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O 12533168 OHODDAOJSYKKKF-KGLIPLIRSA-N 439.559 1.342 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)cc1 12992395 BVSCGPBTDUAQQP-LJQANCHMSA-N 428.510 1.973 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)N1CCCC[C@H]1C 13228019 KVSRSLBTRNXDIQ-GFCCVEGCSA-N 426.452 1.530 0 40 IDAB CCN1C(=O)[C@H](NC(=O)C(=O)NC[C@@H](O)c2ccccc2)c2cc(Br)ccc21 13628749 MRBHLMSNSDQHIY-IAGOWNOFSA-N 446.301 1.823 0 40 IDAB CSCC[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 14244018 AHFWKIFXNHDAAD-KRWDZBQOSA-N 442.607 1.433 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1C 30858754 NHINGWWBKLUSJC-UHFFFAOYSA-N 436.534 1.456 0 40 IDAB C[C@@]1(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCS(=O)(=O)C1 32970994 GNYKNLYREPITHZ-HXUWFJFHSA-N 442.603 1.877 0 40 IDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 32999871 JUALCKGSUMEJCP-UHFFFAOYSA-N 449.514 1.747 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1OC 38849005 YTJNIUUJQBIWOV-HXUWFJFHSA-N 434.514 1.898 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)o1 40106619 GYYAFMQCJPUUMQ-UHFFFAOYSA-N 446.481 1.765 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCCN3CCOCC3)CC2)cc1C 40121361 WDRCXEIVFQBYBY-UHFFFAOYSA-N 437.606 1.933 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2c(C)oc(C)c2S(N)(=O)=O)c1 40143119 XHRKCZJEBKPKSC-UHFFFAOYSA-N 429.520 1.827 0 40 IDAB COc1ccc(N(CC(=O)N[C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cccs2)cc1 40159323 VXRGSDHRFLDPRC-ZDUSSCGKSA-N 444.556 1.255 0 40 IDAB CCCn1c(N)c(C(=O)CN(C)Cc2ccc(OC(F)F)c(OC)c2)c(=O)n(C)c1=O 58128712 DQFOXRYBKAANNA-UHFFFAOYSA-N 440.447 1.464 0 40 IDAB CSCC[C@@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)O 71333057 APTWHERGQWRFMQ-CQSZACIVSA-N 440.319 1.995 0 40 IDAB CC(C)CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cccnc2)s1 95461709 NZPXZBOUUPDFEW-UHFFFAOYSA-N 438.575 1.742 0 40 IDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(C(=O)OC)cc2)o1 96221883 BACKOPBXLGDDLC-KRWDZBQOSA-N 431.441 1.659 0 40 IDAB biogenic COc1ccc(CNC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC 102128877 ISJPCFBAGOXDRP-HOTGVXAUSA-N 430.457 1.205 0 40 IDAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C(=O)O)cc2)c1C 102303076 VRAPKAAOGHZCCU-VGWMRTNUSA-N 433.442 1.685 0 40 IDAB CN(C)CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2F)cn1 225922906 IDIZZXLTOJYGHY-UHFFFAOYSA-N 438.525 1.998 0 40 IDAB CCn1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cn1 257327832 XCYVOXRKBKHRFL-UGKGYDQZSA-N 439.560 1.977 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3ccccc3F)C2)cs1 306123792 AWSAQVYRZWICGF-OAQYLSRUSA-N 427.505 1.905 0 40 IDAB CCS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCO2 408705932 QOBJYIDIWRILNC-UHFFFAOYSA-N 445.541 1.963 0 40 IDAB CCOc1ccc(S(=O)(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)cc1F 575617746 QXFQFUSVMZSUPG-UHFFFAOYSA-N 434.497 1.918 0 40 IDAB COCCN1C(=O)CN(C2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)C1=O 824411949 LHASRKGBEFBOPZ-UHFFFAOYSA-N 429.926 1.712 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(CC3CC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595526 CVUDIKRXAGBMEB-HBFSDRIKSA-N 437.537 1.321 0 40 IDAB O=C1NCCNC(=O)[C@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1ccncn1)C2 2037818659 GSMUOTXBKZPQDP-XMMPIXPASA-N 449.511 1.584 0 40 IDAB NC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)sc2c1CCC2 3343181 GGPZDZWOVMKBGO-OAQYLSRUSA-N 440.481 1.504 0 40 IDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 3490942 REWIIEOGKSRYDF-UHFFFAOYSA-N 431.301 1.083 0 40 IDAB COCCn1nnnc1[C@H](C(C)C)N(CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 4848023 IMNJKFFLEHFQIC-FQEVSTJZSA-N 428.537 1.969 0 40 IDAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)N(C)C 8719426 TUKKPWVZXILFAL-UHFFFAOYSA-N 425.532 1.748 0 40 IDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 9245720 LRSLEAGQOVLPTI-OAHLLOKOSA-N 435.502 1.381 0 40 IDAB CC(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(CCc2ccc(OC(F)F)cc2)C1=O 9513242 HZEVMYUNTHKPFI-IBGZPJMESA-N 426.420 1.765 0 40 IDAB CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 9850008 XSWGTJQIBTXWPE-UHFFFAOYSA-N 443.895 1.856 0 40 IDAB CNC(=O)[C@@H]1CN(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2O1 9953796 MPSRXPFYPHKIQK-XLIONFOSSA-N 449.573 1.348 0 40 IDAB COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(CSc2ncccn2)cc1=O 10254919 BYDCQPBBQAAEJY-UHFFFAOYSA-N 440.481 1.984 0 40 IDAB CCCc1nc(SCC(=O)Nc2nnc(CC)s2)c2c(=O)n(C)c(=O)n(C)c2n1 11882663 MFMVHTIKIDGPGF-UHFFFAOYSA-N 435.535 1.124 0 40 IDAB O=C(CSCc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 12444799 DHMOOIPXDWZSQR-UHFFFAOYSA-N 434.587 1.583 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cn2cnc3ccccc3c2=O)cc1 12812455 MJGSONRFPIUJLD-UHFFFAOYSA-N 428.514 1.743 0 40 IDAB CCOC(=O)C1=C(COC(=O)COc2ccc(Br)cc2)NC(=O)N[C@H]1C 12880161 KNZOVLXPLIDGJJ-JTQLQIEISA-N 427.251 1.890 0 40 IDAB COc1ccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 13036785 BNDMOAJXGFVMOU-UHFFFAOYSA-N 445.483 1.947 0 40 IDAB COCCN(C(=O)COc1ccc(Cl)cc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13042072 VRRIVXOHCFGECK-UHFFFAOYSA-N 438.912 1.795 0 40 IDAB CCN1C(=O)[C@H](NC(=O)C(=O)NC[C@H](O)c2ccccc2)c2cc(Br)ccc21 13628756 MRBHLMSNSDQHIY-DLBZAZTESA-N 446.301 1.823 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 15243317 LKTJOMDPSPQUGX-UHFFFAOYSA-N 432.454 1.970 0 40 IDAB CC(C)NC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCCN3CCCC3)cc2)C1 15672140 JKVSLYWMSCRINH-NHCUHLMSSA-N 432.565 1.834 0 40 IDAB biogenic,in-vitro CN(C(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccccc1 19077254 SVPJJOZOROYRKW-UHFFFAOYSA-N 431.543 1.661 0 40 IDAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCCN2CC(=O)N2CCNC2=O)n1 19767184 GDETUIYNXDHLDD-SFHVURJKSA-N 428.537 1.926 0 40 IDAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O 22522187 GSJALDYPHGXQHU-UHFFFAOYSA-N 443.481 1.761 0 40 IDAB Cc1cc(=O)n2nc(CN3CCNC(=O)[C@@H]3c3c(C)nn(-c4ccccc4)c3C)sc2n1 24215860 GXJLJOMSCIDOSW-FQEVSTJZSA-N 449.540 1.935 0 40 IDAB COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)N3CCOCC3)n2C)C(C)C)cc1 32579280 NZKNDHGTVYIPGZ-GOSISDBHSA-N 447.561 1.902 0 40 IDAB O=C(CN(Cc1cccnc1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2)NC1CCCC1 35289241 RPZKRHKWMVEXKL-UHFFFAOYSA-N 438.484 1.879 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)N1CCCCCC1 36378405 WVFOWOCBBLMVTD-UHFFFAOYSA-N 448.589 1.522 0 40 IDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)o1 40113933 FAPPEVPSUMOGEV-UHFFFAOYSA-N 437.493 1.804 0 40 IDAB COC(=O)c1ccccc1NC(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O 49409243 ROHCWTGODYDEEI-UHFFFAOYSA-N 447.513 1.838 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccccc1OCC 67286840 LCFKEYUUBHSKHT-HXUWFJFHSA-N 430.505 1.421 0 40 IDAB O=C(O)COc1ccccc1[C@@H]1c2sc(=O)[nH]c2SC[C@@]1(CC(=O)O)C(=O)O 96318850 TUNMBHQMNWGIRW-SJKOYZFVSA-N 425.440 1.683 0 40 IDAB O=C1c2nn(Cc3nc(Cc4ccccc4)no3)c(=O)n2CCN1Cc1ccccc1F 98213051 KVLHVYXGUYWDTC-UHFFFAOYSA-N 434.431 1.862 0 40 IDAB COc1cccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(C)c2)C3=O)c1 98213155 TYXOGVVTLOWZJK-UHFFFAOYSA-N 435.484 1.334 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5cccnc5)[C@H]34)[C@@H]2C1=O 217620585 MLQZGIPLWFHGLW-BQGSKOCBSA-N 443.506 1.389 0 40 IDAB C[C@@H]1O[C@@H]2OC(=O)[C@]3(C)CC4=C(CO)C5=C(CC(=O)[C@]4(C)[C@H](C1=O)[C@@H]23)C(C)(C)OC(=O)C5 247948876 JIEVZPUBUDASNE-OTSMLLJBSA-N 444.480 1.790 0 40 IDAB biogenic,in-vitro COc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)N1CCCCCC1 408713770 UUBRGWLRYRRIPZ-UHFFFAOYSA-N 439.578 1.712 0 40 IDAB Cc1nc2cncc(N3CCN(CC(=O)Nc4nc5ccc(F)cc5s4)CC3)n2n1 1615059117 VROJPBKXYSUOEQ-UHFFFAOYSA-N 426.481 1.942 0 40 IDAB O=C(Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)no1)N1CCc2nn[nH]c2C1 1848349807 SXAMGRAIZSSWIH-UHFFFAOYSA-N 443.471 1.351 0 40 IDAB FC(F)(F)c1nnc(CN2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)o1 1888918073 UAIKDEOXDJVITD-LBPRGKRZSA-N 438.414 1.729 0 40 IDAB CCOc1cc(S(=O)(=O)NCc2ccc(OC)cc2)c(OCC)cc1-n1cnnn1 1325381 DPVCMSCCNLGSGV-UHFFFAOYSA-N 433.490 1.947 0 40 IDAB CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2120256 YXCRQEGMDQRINR-ZSEKCTLFSA-N 444.484 1.782 0 40 IDAB biogenic CCn1c(SCC(=O)Nc2nc(C(C)(C)C)cs2)nc2c1c(=O)n(C)c(=O)n2C 6198432 ZYKQXHIXQIEEES-UHFFFAOYSA-N 436.563 1.938 0 40 IDAB O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 8715419 ABOBOUPWQXDKKE-UHFFFAOYSA-N 443.485 1.724 0 40 IDAB C[C@H]1Oc2ccc(NC(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)cc2NC1=O 9834470 WNWNWKKXHLKRIG-IPQOISQHSA-N 436.424 1.574 0 40 IDAB O=C(NCc1ccccn1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 10219820 QPQDAMJDSHREIN-UHFFFAOYSA-N 429.433 1.090 0 40 IDAB COCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C 10368773 CPUOVZJQGCMEGM-UHFFFAOYSA-N 434.859 1.580 0 40 IDAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1OC 12029798 XZAVVBKEMGITBM-MRXNPFEDSA-N 439.511 1.917 0 40 IDAB COc1cc2nc(CSCC(=O)N3CCC4(CC3)OCCO4)[nH]c(=O)c2cc1OC 12391135 FSGGVMRLEPIQAQ-UHFFFAOYSA-N 435.502 1.539 0 40 IDAB Cc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 12422807 CJKQRBXHPGUOSC-UHFFFAOYSA-N 431.558 1.638 0 40 IDAB O=C(CC1(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCCC1)NC1CC1 12779436 CQQIWEOHQWEPIL-UHFFFAOYSA-N 435.546 1.875 0 40 IDAB CN(C(=O)COC(=O)c1ccc(Cl)nc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12918033 CMCXBWJIRSSEKC-UHFFFAOYSA-N 443.847 1.035 0 40 IDAB CSCC[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@@H](C(=O)O)C(C)C 13592423 XQDAWIQTQMCMSY-GOEBONIOSA-N 433.534 1.913 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)o2)n(C)n1 13615089 OGMCGPCOKRBZHD-CYBMUJFWSA-N 448.480 1.957 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)CN(C(C)C)C(C)C)C2)cnn1C 13960432 GQHVSQUGHNTAPE-AEFFLSMTSA-N 427.615 1.753 0 40 IDAB FC(F)(F)c1cccc(-c2noc(CN3CCN(c4ccc5nnnn5n4)CC3)n2)c1 14328982 NLBOBHBXDMZMSG-UHFFFAOYSA-N 431.382 1.910 0 40 IDAB Cn1c(=O)c2c(nc(N3CCCCC3)n2C[C@H](O)COc2ccccc2Cl)n(C)c1=O 16839472 BQWVSCOZDSCWPZ-AWEZNQCLSA-N 447.923 1.517 0 40 IDAB CCS(=O)(=O)N1CC[C@@H](c2nc(O)c3c(n2)CN(Cc2ccc(OC)cc2)CC3)C1 19520253 QBEWVSHRGGGRGG-MRXNPFEDSA-N 432.546 1.888 0 40 IDAB CNC(=O)c1sc2ccccc2c1[C@H]1CN(S(=O)(=O)N2CCOCC2)CCO1 19697841 RFLHMDHDKXWHJR-CQSZACIVSA-N 425.532 1.211 0 40 IDAB CSc1ncc(Cl)c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 23133847 BESSFPLFCLOSNF-UHFFFAOYSA-N 448.979 1.864 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CN1CCN(C(=O)N2CCOCC2)CC1 23669605 AFBKLIYHKDRWST-UHFFFAOYSA-N 425.327 1.766 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3cc(C)on3)CC2)o1 25138938 BJTYTCYAZMQSOA-UHFFFAOYSA-N 439.490 1.812 0 40 IDAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1nc2ccccc2s1 32104559 RMOGOXLWLPQONR-OAHLLOKOSA-N 430.511 1.814 0 40 IDAB CC(C)OC(=O)C[C@@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 32820974 XYXWINCHVDDNDZ-FUHWJXTLSA-N 449.529 1.351 0 40 IDAB Cc1cc(NC(=O)[C@@H](OC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccccc2)no1 32837582 GRUJHLVLNBMMJF-KRWDZBQOSA-N 442.453 1.704 0 40 IDAB Cn1cc(S(=O)(=O)N[C@@H](COc2ccccc2F)c2ccccc2)c(=O)n(C)c1=O 40119647 KJCIMVNOAGYLMM-INIZCTEOSA-N 433.461 1.322 0 40 IDAB COC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(C)cc1 46086785 IMHVERDXLNBNCL-LJQANCHMSA-N 425.485 1.132 0 40 IDAB O=C(CN1CC(c2nc(-c3ncccn3)no2)C1)N1CCN(c2ccc(Cl)cc2)CC1 49483167 JSHYPGGTOQEFMS-UHFFFAOYSA-N 439.907 1.928 0 40 IDAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)n1 49549550 ZFWKZAAOAVFHPD-SFHVURJKSA-N 425.416 1.870 0 40 IDAB Cc1cc(C)cc(Oc2cc(CNC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)ccn2)c1 72281657 WMXRYWUUYDKVFY-UHFFFAOYSA-N 448.483 1.554 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(F)ccc21 100876451 DBFMFFKUYYZEPK-XDOYNYLZSA-N 427.413 1.738 0 40 IDAB COc1ccc(CNC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 102128874 ISJPCFBAGOXDRP-IYBDPMFKSA-N 430.457 1.205 0 40 IDAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCSc1ncn[nH]1 222652159 PSLARAIIPWJOLW-UHFFFAOYSA-N 447.542 1.571 0 40 IDAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 223467251 ODXNBNHKISWTPE-FQEVSTJZSA-N 435.521 1.923 0 40 IDAB C=CC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2 223811477 AIHDMKINSKCOTL-UHFFFAOYSA-N 425.478 1.665 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 223863689 MONWIRMRWMAGAK-UHFFFAOYSA-N 432.546 1.706 0 40 IDAB Cc1nc(CN2CC[C@]3(CN(C(=O)c4ccn(C)n4)C[C@@H]3c3cn(C)cn3)C2=O)cs1 306131101 JWPMBDAISMJLJF-IIBYNOLFSA-N 439.545 1.577 0 40 IDAB CCOc1ccccc1N(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccccc1 408619476 MRDIHDOYGWAPJX-UHFFFAOYSA-N 447.557 1.729 0 40 IDAB Cc1c(F)cccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1 408996784 AQCCBGFVJUEDOE-UHFFFAOYSA-N 430.436 1.231 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)co1 534426949 ANWCHNRMRARHCE-INIZCTEOSA-N 427.910 1.644 0 40 IDAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 575423123 OFRYEYYAWCKBIS-ZWKOTPCHSA-N 444.575 1.924 0 40 IDAB CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)O)CCC(=O)N[C@H](C(C)C)C(=O)N1 643563401 USSTUVZXPMPYBE-OXFYSEKESA-N 447.532 1.714 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@H]2C1 1888935237 GGQOYKUVKPZXLJ-STQMWFEESA-N 448.936 1.782 0 40 IDAB COC1CN(C[C@H]2COC3(CN(C(=O)Nc4cccc(Cl)c4)C3)CS2(=O)=O)C1 2332243049 FPGNQMAKZUZKNM-INIZCTEOSA-N 429.926 1.071 0 40 IDAB O=C(OCn1nnc2ccccc2c1=O)C1CCN(S(=O)(=O)c2cccs2)CC1 2657669 OZGNMJOYIURVJU-UHFFFAOYSA-N 434.499 1.455 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N(C(C)C)C(C)C 3264162 KHUMYCZJXAGUJT-UHFFFAOYSA-N 426.535 1.818 0 40 IDAB NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 3301769 NKYZRKLWYAAZJS-UHFFFAOYSA-N 437.905 1.493 0 40 IDAB CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3)[C@@H]1CCS(=O)(=O)C1 3443729 RSRRDECGOUUTPR-SNVBAGLBSA-N 427.573 1.221 0 40 IDAB CCn1c(=O)c(C(=O)CSc2nnc(C)n2C2CC2)c(N)n(Cc2ccccc2)c1=O 9218221 UZWMYEMNZQXHBV-UHFFFAOYSA-N 440.529 1.870 0 40 IDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9493549 XXSJQHRRVYFJIO-UHFFFAOYSA-N 428.470 1.113 0 40 IDAB Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCCN2S(=O)(=O)c2ccccc2)cc1 9576613 FPMZWMVMJKFDHS-LJQANCHMSA-N 431.514 1.165 0 40 IDAB CCN1C[C@@H](CN(C)C(=O)CCNC2=NS(=O)(=O)c3ccccc32)Oc2ccccc21 9933279 IUPWKVLLOHUALE-MRXNPFEDSA-N 442.541 1.861 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)OC)C(C)C)c1 9956125 VGJXLRKMQSIIIR-YOEHRIQHSA-N 441.550 1.149 0 40 IDAB COc1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cccc(C)c2)cc(OC)c1OC 10384218 DOMKQOKOFLNVEQ-QGZVFWFLSA-N 441.484 1.990 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccc(OC)cc1 10385687 RHYJTRBEXXBVFB-VQTJNVASSA-N 437.500 1.619 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3c2nnn3-c2ccc(C)cc2)CC1 11758571 ZYLPLYDSCKAYON-UHFFFAOYSA-N 441.517 1.912 0 40 IDAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 11927525 OVKLLSKDKHFYTK-UHFFFAOYSA-N 431.924 1.666 0 40 IDAB COc1ccc([C@@H]2C[C@H](C(=O)Nc3ccc([C@@H](C)O)cc3)N(C)S(=O)(=O)N2)cc1OC 12159783 TZVIMFCQMBPTQG-JEBQAFNWSA-N 449.529 1.975 0 40 IDAB CCN(CC)C(=O)CSc1nnc(SCC(=O)NCc2ccccc2F)n1N 19352623 VDHSQYSJBWFBEQ-UHFFFAOYSA-N 426.543 1.500 0 40 IDAB COc1ccc(C(=O)N2CC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc1N1CCOCC1 19758126 ABIBCRXVTXZFJJ-MRXNPFEDSA-N 425.489 1.359 0 40 IDAB COc1ccc2cc(CN(CCCO)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1 19824605 DNJCHUTWFGLVEY-UHFFFAOYSA-N 448.589 1.318 0 40 IDAB OCCOCCNc1nc2nnnn2c2sc3c(c12)CCN(Cc1ccccc1)C3 20533485 ITCYZHVXXSILPW-UHFFFAOYSA-N 425.518 1.713 0 40 IDAB COc1cc([C@@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(Br)c1OC 20730446 DULXBYUXHIXAAK-NSHDSACASA-N 425.239 1.088 0 40 IDAB COc1ccc(C(=O)NCCN2C[C@H](C)O[C@H](C)C2)cc1S(=O)(=O)N1CCCC1 22612098 SNABEILNLANWIQ-IYBDPMFKSA-N 425.551 1.319 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)cc1 23674088 XLVFQSOAABSZII-VQTJNVASSA-N 426.579 1.673 0 40 IDAB COc1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 24765663 MJUDBYFXQJNKFS-UHFFFAOYSA-N 432.498 1.905 0 40 IDAB CC1(C)NC(=O)N(CCC(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)C1=O 72351794 IBIWJQCPOAXHTA-HXUWFJFHSA-N 448.523 1.944 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3OCCOC)CC2)CC1 79107518 KCEUSHNSFZTTHI-UHFFFAOYSA-N 439.578 1.422 0 40 IDAB O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 95350639 AVLRBZAKEAXQOZ-RUZDIDTESA-N 448.523 1.970 0 40 IDAB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)[C@H]1C(=O)Nc1nc(-c2cccc(F)c2)cs1 101186967 UGWUYKDCXVWABE-DZGCQCFKSA-N 436.490 1.909 0 40 IDAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C(OC(C)=O)OC(C)=O)O2)cc1 101360920 HEQTYXGTZHVIOU-WYADAEROSA-N 429.425 1.741 0 40 IDAB CC[C@H](C(=O)NCCCN1CCOCC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222508703 GOMSFWYZQVWNIU-QGZVFWFLSA-N 435.949 1.862 0 40 IDAB CCC[C@H](C(=O)NC1CCCC1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2cc(C)on2)[C@H]3C1=O 245227487 OTJCTTXTJXFQQX-ONMBFMMNSA-N 442.516 1.931 0 40 IDAB CN1CC(=O)N2CC[C@@H](CC(=O)N3CC[C@@H](O)C3)[C@@H](/C=C\COc3ccccc3C1)C2 253405962 UADXUXJVWCHCMB-KQGBIKSASA-N 427.545 1.515 0 40 IDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 512984549 HCUDTUPQZKWSDY-INIZCTEOSA-N 437.504 1.052 0 40 IDAB CN(c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)cc2)cc1)S(C)(=O)=O 600846805 HWQANWZIEJSQLH-UHFFFAOYSA-N 440.547 1.453 0 40 IDAB CC(C)[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)N1CCN(c2ncccn2)CC1 639519430 KOSQGLDYUDCAMD-HZPDHXFCSA-N 432.554 1.108 0 40 IDAB CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2ccc(OC)c(OC)c2OC)CC1 670416063 DPVFPTTWUHEBFH-AWEZNQCLSA-N 443.504 1.824 0 40 IDAB NC(=O)[C@H]1c2ccccc2CCN1CC1(CN2CCc3ccccc3[C@@H]2C(N)=O)COC1 679854554 YZMPOWHUMICTNC-FGZHOGPDSA-N 434.540 1.172 0 40 IDAB COC[C@@H]1CC[C@H]([C@@H]2COCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)O1 1657114469 LUBNFNKHEPUKHZ-ZOCIIQOWSA-N 438.546 1.890 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@@](COc2ccccc2)(CC(=O)N2CCOCC2)C1 2037905443 HLSHICBGEQENCJ-HXUWFJFHSA-N 425.551 1.203 0 40 IDAB O=C([C@H]1C[C@@H](NCc2ccncc2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O)N1CCOCC1 2332241841 RBTGZHKZERWSRS-KKSHJYNMSA-N 447.539 1.953 0 40 IDAB O=C(NC[C@@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F)C(=O)NC1CCCCC1 3027674 DQOPFGXKQHAYOJ-KRWDZBQOSA-N 445.488 1.267 0 40 IDAB CCCn1c(SCC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)n[nH]c1=O 3535477 UDQPVYFXAAPAML-UHFFFAOYSA-N 441.535 1.618 0 40 IDAB Cc1cc(C)n2nc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)nc2n1 3542256 NEEQUHVAIWDNES-UHFFFAOYSA-N 429.234 1.869 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 9377609 KGELLYZPNSSUGO-UHFFFAOYSA-N 436.490 1.991 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 9884743 KWFKPLQRTXEIDL-HXUWFJFHSA-N 432.498 1.758 0 40 IDAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)N[C@H]1CCS(=O)(=O)C1 12324084 PQIWYKZAUVSKRW-NSHDSACASA-N 449.963 1.443 0 40 IDAB O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)NCc1ccccc1Cl 12816760 JXOVMOPHWQMMRL-FQEVSTJZSA-N 429.904 1.940 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)[nH]c(=O)c2C1 19572700 DOUJHZAIHFJMJO-AWEZNQCLSA-N 434.493 1.247 0 40 IDAB CS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)cc1 19573382 ADKLVXGWXCEEDF-MRXNPFEDSA-N 438.509 1.794 0 40 IDAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 19575422 VCKGURVXBINQEV-WBVHZDCISA-N 436.574 1.955 0 40 IDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CN(CCN3CCCC3=O)CCO2)n1 19692680 DSDCBSASADLDGW-IBGZPJMESA-N 438.532 1.304 0 40 IDAB Cc1nc(C2CCN(S(=O)(=O)N3CCOCC3)CC2)ncc1C(=O)Nc1ccccc1 19764214 LTOKCDQVRUEFSO-UHFFFAOYSA-N 445.545 1.794 0 40 IDAB Cc1nc([C@@H]2CCCN(C(=O)CCC(N)=O)C2)ncc1C(=O)NCc1ccc(F)cc1 19765489 NOTAMAZLIMRPMW-MRXNPFEDSA-N 427.480 1.826 0 40 IDAB COc1c2c(cc3c1[C@@H](c1c(O)n(Cc4ccccc4)c(=O)[nH]c1=O)N(C)CC3)OCO2 20111468 APQDIRFZJARDGZ-SFHVURJKSA-N 437.452 1.605 0 40 IDAB biogenic COC(=O)c1ccc(OC)cc1OCC(=O)NCc1ccccc1S(=O)(=O)N(C)C 21617869 AXPBRRDWBSMHBN-UHFFFAOYSA-N 436.486 1.427 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 22228055 IWEIDESOBOPOAD-HOTGVXAUSA-N 425.551 1.918 0 40 IDAB CC(C)CN(CC(=O)N1CCC(c2ccccc2)=N1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 23358292 CBJSZQALLRCOFK-UHFFFAOYSA-N 440.548 1.874 0 40 IDAB O=C(NCCOc1ccc2ccccc2c1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 32788066 XRIPGRMSXBAFMO-UHFFFAOYSA-N 429.498 1.998 0 40 IDAB CCCc1nnc(S)n1CC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 32809427 LNRCJQPNZOFFIU-UHFFFAOYSA-N 444.627 1.173 0 40 IDAB O=C1CN(C(=O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2ccccc2N1 34800108 FKYPUIWXTGIRHF-XNTDXEJSSA-N 440.525 1.590 0 40 IDAB C[C@H]1CC(=O)Nc2c1c(NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)nn2C 35597806 NSMZOEJODXQQAY-LBPRGKRZSA-N 433.490 1.139 0 40 IDAB COc1cc(I)c(Cl)cc1C(=O)N[C@H]1CCS(=O)(=O)C1 40073867 OONCYXVRCLLHRT-ZETCQYMHSA-N 429.663 1.870 0 40 IDAB C[C@H](Sc1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 40154032 CKZFFLHMZCFFNG-HNNXBMFYSA-N 447.026 1.457 0 40 IDAB CCc1nc(CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)CC2)cs1 48313612 WNRMBMMGUMACTM-UHFFFAOYSA-N 436.603 1.979 0 40 IDAB O=C(NC[C@@H]1CCCO1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945815 LJDJQLAOZDDMDU-FXAWDEMLSA-N 444.507 1.693 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 57478317 NGJSVHUFCSIYRR-OAQYLSRUSA-N 437.500 1.693 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2C(=O)N2CCCC2)C1=O 62587245 HXWNWIINZKJYNS-JPYJTQIMSA-N 426.517 1.847 0 40 IDAB CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 71284121 YBJXHTWWDXBNCI-UHFFFAOYSA-N 449.527 1.737 0 40 IDAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@@]4(O)CCOc5ccccc54)cc1c32 77100025 NDKUWWVRFZAQRT-SHACYNPGSA-N 435.480 1.808 0 40 IDAB O=C(NCc1ccccc1)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 96144703 RZKFJHWAJMRLTB-SFHVURJKSA-N 430.530 1.382 0 40 IDAB O=C([C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3)CC2)O1)N1CCCC1 96263172 KDLYPYVUFRXOTK-GOSISDBHSA-N 430.530 1.584 0 40 IDAB Cc1cccc(NC(=O)c2ccc3nnc([C@@H]4CN(S(C)(=O)=O)CCN4C)n3c2)c1 96267996 IXEQOWXURMQHHS-KRWDZBQOSA-N 428.518 1.538 0 40 IDAB Cc1cc(C(=O)NC[C@]2(COc3ccc(C(F)(F)F)cn3)C[C@H](O)[C@H](O)C2)n(C)n1 107430284 QUVGMKLQSLXLEK-JLVBRIDZSA-N 428.411 1.453 0 40 IDAB biogenic,in-vitro Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)CCC(=O)N2CCNC(=O)C2(C)C)n1 257303046 SFOGWYSBSCIJOC-GOSISDBHSA-N 438.532 1.756 0 40 IDAB COc1ccc(C(=O)CN(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1OC 575421504 IUPHGCDKHMVXLQ-GOSISDBHSA-N 440.562 1.098 0 40 IDAB CN(C)CCNC(=O)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)Cc2cccc(F)c2)C1 585106795 QLJQRHIJAXEIBB-QHCPKHFHSA-N 442.539 1.506 0 40 IDAB COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNCc4ncccc4C)[C@@H](O)[C@H]3O2)cc1 604381849 RLTYBJVUWUOSDV-ZQDRWKGSSA-N 441.528 1.481 0 40 IDAB biogenic,in-vitro CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)cc1 1888904374 JFKHWFJJNKZDBM-ROUUACIJSA-N 441.557 1.813 0 40 IDAB COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1 1262728 XAHFEXXVVVURJH-UHFFFAOYSA-N 448.570 1.904 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2C2CCCC2)C1=O 8718333 OTDITPFIBWZSCY-HXUWFJFHSA-N 443.533 1.855 0 40 IDAB O=C(C(=O)N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1)N1CCOCC1 8724438 MCCQTWHPWLWLEI-UHFFFAOYSA-N 435.480 1.454 0 40 IDAB Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC2)n1 8865034 BFSHQZAIVLROOQ-UHFFFAOYSA-N 437.543 1.833 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(F)c2)cc1 9806721 IBMPXSKERNJJQH-INIZCTEOSA-N 435.477 1.742 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(Br)cc4)c(C)cn23)n(C)c1=O 9829416 CZDNKVNKKGNKHB-UHFFFAOYSA-N 446.261 1.383 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 11858355 SBRKDYPQATZKOD-UHFFFAOYSA-N 438.483 1.765 0 40 IDAB Cc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 12140184 IJNVYGFTWAYUSL-FQEVSTJZSA-N 445.541 1.473 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCCN2C(=O)c3ccccc3C2=O)C1=O 12994099 FHZXOXJDZLXODY-QHCPKHFHSA-N 434.452 1.951 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 13108209 OSSPTQBAAQKBOC-UHFFFAOYSA-N 445.273 1.516 0 40 IDAB C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 15959890 ZDZLHYCCYICKBX-MRUWREAYSA-N 439.899 1.684 0 40 IDAB biogenic NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 16013086 HJZSLJCUWMONSV-KANGHSEISA-N 438.871 1.136 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1 16689719 IPOJHGIIGWHNFZ-CABCVRRESA-N 429.564 1.093 0 40 IDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCc1ccc(OC)cc1)C2=O 23653253 HMFOPAKZRDSXLT-UHFFFAOYSA-N 431.489 1.745 0 40 IDAB C[C@@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 24751700 AWRMSZORVRJMMV-GFCCVEGCSA-N 444.351 1.197 0 40 IDAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 24840848 MVFGDLKNCRKXLH-DOTOQJQBSA-N 440.518 1.019 0 40 IDAB NC(=O)c1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)n2)cc1 32759986 VSLAFGBPKMPGKF-GOSISDBHSA-N 448.483 1.964 0 40 IDAB Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccccc2C(=O)c2ccccc2)n(C)c1=O 32865686 FXQVQAVVIKRIDT-UHFFFAOYSA-N 431.452 1.694 0 40 IDAB Cc1cc(C(=O)N2CCN(C(=O)[C@H](C)NC(=O)c3ccc(Br)cc3)CC2)on1 40122778 AAQBYORUWNGLEY-ZDUSSCGKSA-N 449.305 1.848 0 40 IDAB COc1c2c(c(S(=O)(=O)N[C@@H](CO)Cc3ccccc3)c3c1OCO3)CCN(C)C2 40309484 CTIPPFXSLMAPQZ-OAHLLOKOSA-N 434.514 1.294 0 40 IDAB biogenic CCN1CCN(c2nc3ncn(CC(=O)Nc4cccc(C(C)=O)c4)c(=O)c3s2)CC1 67225937 IVBHLZOWBCWBFF-UHFFFAOYSA-N 440.529 1.836 0 40 IDAB CCOC(=O)c1c(NC(=O)CN[C@](C)(CC)CC(=O)OC)sc(C(=O)NC)c1C 79075176 WCGMWYWQCGTKAS-LJQANCHMSA-N 427.523 1.853 0 40 IDAB COc1ccc2[nH]c(CN3CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)CC3)nc2n1 95996047 FOFVHBAGUQTBPC-UHFFFAOYSA-N 429.502 1.676 0 40 IDAB CCOC(=O)C1CCN(C(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 223632308 QYDOGBVYCMMAGR-UHFFFAOYSA-N 426.535 1.680 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)s1 224798319 XAKSWFVMWFYAOP-UHFFFAOYSA-N 444.560 1.825 0 40 IDAB COc1ccccc1CN1CC2(C1)C(=O)N(Cc1ccc(C)o1)C(=O)[C@@H]1C[C@@H](O)CN12 225397921 DVFFBKGYYIBZRW-MJGOQNOKSA-N 425.485 1.155 0 40 IDAB biogenic,in-vitro CCN1CCC[C@H]1CNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 248330307 FLEBKTDYCMBGPX-GAJHUEQPSA-N 428.533 1.427 0 40 IDAB CC(C)(C)OC[C@H](O)CN1CCN(CCNS(=O)(=O)c2cccc(Cl)c2)CC1 252508978 XZWHFCMDRYDKMC-QGZVFWFLSA-N 434.002 1.412 0 40 IDAB CCN1CCN(CCNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 257204765 AWEXIGWKHNBXRS-KTXJPYHWSA-N 425.577 1.728 0 40 IDAB O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C[C@H]2CCCO2)CC1 257205698 BAFYVYMMJBKAMP-WOJBJXKFSA-N 443.592 1.082 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)CC1 408627046 XQNACFLEAPIWJG-LBPRGKRZSA-N 433.914 1.316 0 40 IDAB Cc1cnc(Nc2nc(C3CCN(C(=O)[C@@H]4COCCN4)CC3)cn3cccc23)s1 585263298 VJSNVRHFEJDRRR-KRWDZBQOSA-N 426.546 2.537 0 40 IDAB CS(=O)(=O)c1ccc(CN[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(-c3ccccc3)nn2)cc1 1549159159 DXRZSHZPZWQWIY-PWRODBHTSA-N 428.514 1.267 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(c5nccc(C(F)(F)F)n5)C[C@@H]4C3)ncnc21 1888913563 IJGBBHMHWZEWFL-STQMWFEESA-N 434.426 1.854 0 40 IDAB Cn1c(NCc2ccc3c(c2)OCO3)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 789684 FSZKYFIFMMXAST-UHFFFAOYSA-N 437.431 1.962 0 40 IDAB biogenic COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 806197 XJOMVQVQJZRTSB-UHFFFAOYSA-N 445.541 1.679 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2C[C@H](O)COc1ccc2ccccc2c1 6444812 UJPCDNQFYQFKMQ-KRWDZBQOSA-N 435.484 1.617 0 40 IDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 9335837 KPJPWCIQPXQUQS-GOSISDBHSA-N 449.504 1.994 0 40 IDAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccncc1 9410441 UOIXOIOBGGIJKE-UHFFFAOYSA-N 448.520 1.444 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 10274062 NFTRNLWPYWZKLY-QGZVFWFLSA-N 441.532 1.860 0 40 IDAB COc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1S(=O)(=O)N1CCOCC1 12687030 IYYMRTMGNXXWGT-UHFFFAOYSA-N 436.534 1.638 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)Cc2cccc3ccccc23)C1=O 12814889 JVEJWEMSHKCPSH-DEOSSOPVSA-N 430.464 1.997 0 40 IDAB CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)C1CCCC1 13007052 QCNJUKIRIHHUAM-UHFFFAOYSA-N 443.953 1.948 0 40 IDAB O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CN1Cc1ccccc1 17052294 CXHOTZDXOWKVBL-IBGZPJMESA-N 427.526 1.568 0 40 IDAB COc1c2c(cc3c1[C@H](c1c(O)n(-c4ccc(C)cc4)c(=O)[nH]c1=O)N(C)CC3)OCO2 20111635 KXIJSSQQEJKUKK-GOSISDBHSA-N 437.452 1.854 0 40 IDAB biogenic CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)CC1 22323993 OHJVBILENIYVPX-UHFFFAOYSA-N 439.563 1.114 0 40 IDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NC[C@@H](c1cccs1)N1CCOCC1 22373713 YYKUFECPIKNJGB-INIZCTEOSA-N 448.570 1.366 0 40 IDAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(CC(=O)Nc3cccc(F)c3)CC1)C2=O 22788829 BEIIGFGYNKQSDK-AOMKIAJQSA-N 431.512 1.840 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1OC 23107316 AKBPKUZKBHIBFV-SFHVURJKSA-N 431.464 1.971 0 40 IDAB CCCCn1c(CN2CCN(C(C)=O)CC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 23696069 DWLFEYHBFJFMHD-UHFFFAOYSA-N 438.532 1.399 0 40 IDAB CCC1=NP(N2CCN(C)CC2)(N2CCN(C)CC2)=NC(N2CCN(C)CC2)=C1C 25326585 GZPUJFMTVXROBD-UHFFFAOYSA-N 436.589 1.771 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c1 29594001 VJBXXLLJECHABX-UHFFFAOYSA-N 426.498 1.404 0 40 IDAB Cc1csc(=O)n1CCCC(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 32740729 WXRRYVLFFBLITH-UHFFFAOYSA-N 440.543 1.763 0 40 IDAB C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 32776180 UVGXSJMCULIMPF-QUJCMNEKSA-N 438.527 1.193 0 40 IDAB Cc1cc(N2C[C@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2=O)ccc1Br 32796001 KOXJQICJXYZBTB-PXAZEXFGSA-N 429.336 1.804 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)ccc1Cl 32945045 HJKRAOJOMWUNFY-UHFFFAOYSA-N 438.845 1.619 0 40 IDAB Cc1cc(NC(=O)CN(C)C(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)no1 40013116 BGLOOSPJKOGOLB-UHFFFAOYSA-N 448.423 1.767 0 40 IDAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)NCc3nnc4n3CCCCC4)c2)n1 40122171 AMPPBOVABCNGKW-UHFFFAOYSA-N 435.488 1.572 0 40 IDAB COc1cc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)ccc1OCC(N)=O 57742337 BXMJQHAWZVVTCP-ZDUSSCGKSA-N 440.547 1.194 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)C[C@H](CO)[C@H](O)[C@@H]1O 71404908 XZDXDNHHPNGMTE-IACDYKEDSA-N 447.713 1.570 0 40 IDAB C[C@@H](C(=O)N1CCCCC1)N1CCN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 79106141 KOWSABZZAQHFPB-KRWDZBQOSA-N 435.532 1.632 0 40 IDAB O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 90612733 JOSANOSBZRRDTF-KRWDZBQOSA-N 437.452 1.429 0 40 IDAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2cnn(C)c2C)c2cc(Br)ccc21 95346309 QRDXHNSSFJOEMO-OAHLLOKOSA-N 434.294 1.331 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)NC2CCCCC2)cc1 100752679 IZGQQWDGQNSUSK-XKGZKEIXSA-N 448.589 1.888 0 40 IDAB C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccco5)[C@H]34)[C@@H]2C1=O 101261716 KZQAKQMIKBMOJN-GJNLJDBUSA-N 446.506 1.976 0 40 IDAB COc1ccc(S(=O)(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)cc1C(N)=O 225629857 FEYVGOQQOUXURT-UHFFFAOYSA-N 443.485 1.210 0 40 IDAB CCC(CC)NC(=O)c1nnc2n1CC1(CCN(C(=O)c3ccn(C)n3)CC1)COC2 306135049 OFWSQSNSTGCDBD-UHFFFAOYSA-N 429.525 1.383 0 40 IDAB Cc1nnc(NC(=O)CSc2nc(=Nc3ccccc3)nc(N3CCOCC3)[nH]2)s1 408545340 XYNRFIGQEIAHJI-UHFFFAOYSA-N 444.546 1.764 0 40 IDAB COc1ccccc1NC(=O)C[C@H]1C(=O)N(C)C(=S)N1NC(=O)c1cccc(F)c1 1078075 RNSCXXVTYIIKSF-HNNXBMFYSA-N 430.461 1.935 0 40 IDAB N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 4535894 RCMWNNJFKNDKQR-HSALFYBXSA-N 425.485 1.065 0 40 IDAB biogenic Cc1ccccc1Nc1nc(N)nc(COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)n1 8825946 HIBQHHLTGRKXPG-UHFFFAOYSA-N 433.428 1.252 0 40 IDAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc2c(c1)OCO2 9207774 JMEATQFLLJSUNI-HXUWFJFHSA-N 425.441 1.480 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC3CCCC3)nc(-c3cccc(F)c3)nc2n(C)c1=O 9517599 GDYVDBXGPVOKQU-UHFFFAOYSA-N 443.504 1.984 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2CN(C)C)cc1 9917021 WVLZIQLMXZGYRV-UHFFFAOYSA-N 432.546 1.644 0 40 IDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 12140274 GMINWWYIULECBV-OAHLLOKOSA-N 441.506 1.057 0 40 IDAB O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12528960 XOBIILYMEWWDNP-UHFFFAOYSA-N 429.546 1.627 0 40 IDAB COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)c(C)c2)cc1 13371838 HCCSMJVZMRMOLV-OALUTQOASA-N 427.519 1.872 0 40 IDAB O=C(O)CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)O 15721386 ARAWERCUGGAGFN-ROUUACIJSA-N 444.440 1.664 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCC[C@@H](O)C3)CC1)O2 19218887 RBGGXZKYFNKWLO-SEPYTNNBSA-N 429.517 1.240 0 40 IDAB Cc1nc([C@H]2CCCN(C(=O)CCC(N)=O)C2)nc2c1CC(=O)N2Cc1cccc(F)c1 19743778 UHOBNWOAJBCDCG-INIZCTEOSA-N 439.491 1.985 0 40 IDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 20614075 FSYPCRSXRDVCDP-IBGZPJMESA-N 429.517 1.912 0 40 IDAB O=C(COc1ccccc1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 20730872 KVXIFPIOQVAFBN-QGZVFWFLSA-N 425.460 1.928 0 40 IDAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(CC(=O)NC[C@@H]4CCCO4)CC3)c2c1 20733772 FKEBPWFUVXXEFG-HRAATJIYSA-N 430.505 1.215 0 40 IDAB CCN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(OC)cc2)c2cccnc2)CC1 22457153 WUEVTZYSYFSWTO-NRFANRHFSA-N 425.533 1.201 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCN(C2CC2)CC1 29090504 VWEWLIYDNBLGKA-FQEVSTJZSA-N 437.562 1.504 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1F)C(=O)OC 36569632 DZFMOJLTSIXPFE-KDOFPFPSSA-N 436.415 1.840 0 40 IDAB O=C(NCc1cccnc1-n1cncn1)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F 48235859 LYHFMUHOSCPXGP-UHFFFAOYSA-N 431.338 1.292 0 40 IDAB COc1cccc(N2C(=O)CN(Cc3ccc(OC)c(OC)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 57165738 KZLRQPBUWSALTK-RBUKOAKNSA-N 446.525 1.727 0 40 IDAB O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)c1 59777412 BMHHGINPRHTANE-UHFFFAOYSA-N 426.380 1.755 0 40 IDAB CCN(C(=O)CN1C(C(=O)OC)=NC2=NS(=O)(=O)c3ccccc3N21)C1CCCCC1 72274986 CNZGXUPBVVRIGC-UHFFFAOYSA-N 447.517 1.535 0 40 IDAB C[C@@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)CN1CCN(C)CC1 95461381 UXHFBKZYIUTTAT-KRWDZBQOSA-N 441.580 1.503 0 40 IDAB COCCNC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 101486334 NMDJECBMURUXQS-GASCZTMLSA-N 445.969 1.304 0 40 IDAB Cc1cc(OC2CN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)C2)cc(=O)o1 206958778 QGCFLIVYNIFSPU-UHFFFAOYSA-N 430.841 1.309 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)s1 223784474 REDVCERXNCGTBW-UHFFFAOYSA-N 430.533 1.516 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cn1C 245171769 XUIKZBVQFNNXFX-UHFFFAOYSA-N 430.486 1.372 0 40 IDAB Cc1cccc(C)c1OCC(=O)N1CCC2(CC1)C[C@H](NS(C)(=O)=O)[C@@](C)(O)CO2 257320372 VWNGTXCXPMUQLD-PXNSSMCTSA-N 440.562 1.133 0 40 IDAB CS(=O)(=O)N1CCC[C@@]12CCN(CC(=O)Nc1nc3ccc(F)cc3s1)C[C@@H]2O 257329562 XKMFCLZRPPOHQW-YJBOKZPZSA-N 442.538 1.235 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 408667275 SHVJRRCETZKPBV-QCQDVHPSSA-N 430.457 1.607 0 40 IDAB COCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(OC)ccc2OC)n(C)c1=O 10102646 HONPENASQTYVCP-CYBMUJFWSA-N 429.477 1.348 0 40 IDAB Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3CCNc2ccccc2F)n(C)c1=O 10108973 ALXGZJJZTULFMJ-UHFFFAOYSA-N 447.474 1.909 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 10927565 PWDUGLPXIKDGEP-UHFFFAOYSA-N 439.515 1.673 0 40 IDAB Cc1ccc2c(c1)C(=O)N(CC(=O)NCCCN1CCCC1=O)CC1(CCOCC1)O2 12086901 OQGCGBYOUNBTQE-UHFFFAOYSA-N 429.517 1.508 0 40 IDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)ccc21 12928776 BHFMAEIBACOQFZ-KRWDZBQOSA-N 428.514 1.575 0 40 IDAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CCN[C@@H]2C=CS(=O)(=O)C2)CC1 19376233 OWCKBLLQDDHHET-QGZVFWFLSA-N 442.541 1.330 0 40 IDAB COc1ccc(N(CC(=O)NCc2ccc(OC)c(OC)c2)S(C)(=O)=O)c(OC)c1 19934447 BPGGMRBATWHOEK-UHFFFAOYSA-N 438.502 1.803 0 40 IDAB COc1cccc(OC)c1C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22227128 FJGCPRMKHGWLMU-UHFFFAOYSA-N 434.514 1.697 0 40 IDAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3Cl)CC2)C[C@@H](C)O1 30665006 HWOPTVZKEPNWLU-HZPDHXFCSA-N 429.970 1.771 0 40 IDAB CC(=O)Nc1cccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)c1 32615431 HVYVURVRILZMQW-UHFFFAOYSA-N 444.451 1.550 0 40 IDAB NC(=O)c1ccc(-c2nnn(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)n2)cc1 32759991 VSLAFGBPKMPGKF-SFHVURJKSA-N 448.483 1.964 0 40 IDAB COc1ccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1OC 44851803 HKCQOEVSJSKJBT-FQEVSTJZSA-N 434.514 1.980 0 40 IDAB Cc1cc(NC(=O)CN2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)no1 57886136 MYTFPMRGPKBEIA-UHFFFAOYSA-N 428.880 1.943 0 40 IDAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)[C@@H](C)NC(=O)c3ccco3)CC1)O2 72393686 FFMAOQVPUNIJFW-CQSZACIVSA-N 427.457 1.590 0 40 IDAB c1cnc(N2CCN(CCCNc3nc4ccccc4nc3N3CCOCC3)CC2)nc1 89873309 SHIOLHGSQBMDQP-UHFFFAOYSA-N 434.548 1.881 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc(O)c4c(n3)CN(S(C)(=O)=O)CC4)C2)CC1 100239085 HPTBOHXUSOYWJN-SOUVJXGZSA-N 438.550 1.021 0 40 IDAB C[C@@H](CNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CCN(c2ccccc2)CC1 101246243 JQHJDEHVDMZRGK-RXVVDRJESA-N 434.540 1.832 0 40 IDAB Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1 390826240 GDGVXBBPKOBLOA-UHFFFAOYSA-N 433.516 1.770 0 40 IDAB COc1c2c(c(CNC(=O)COc3ccc4c(c3)OCO4)c3c1C(=O)N(C)CC3)OCO2 604404091 IUKHHYGIFINGOR-UHFFFAOYSA-N 442.424 1.476 0 40 IDAB biogenic COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888930696 UKWAALRAGQFBPR-STQMWFEESA-N 434.909 1.543 0 40 IDAB CN(C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)[C@@H]1CCS(=O)(=O)C1 8671324 XSTSUOQTIOGHPO-MRXNPFEDSA-N 445.570 1.474 0 40 IDAB COc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)cc1OC 8848909 LMCONVVMHLIBLX-UHFFFAOYSA-N 441.419 1.352 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccccc1OC 8990462 OREUEFQZCPQKON-ZWKOTPCHSA-N 438.488 1.014 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(C3CCCCC3)n2N)C1=O 9127344 OLNJQCLGZYYSPC-FQEVSTJZSA-N 443.533 1.630 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2Cc2ccccc2)n(C)c1=O 12232047 HMKLCZWCRNHOET-UHFFFAOYSA-N 436.472 1.229 0 40 IDAB Cn1c(Cc2ccccc2)nnc1SCCCn1c(=O)c2c(ncn2C)n(C)c1=O 12535025 RZOVELRUONARLO-UHFFFAOYSA-N 425.518 1.335 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1 12772083 OUHHAZOZDFMZNK-ZIAGYGMSSA-N 430.457 1.405 0 40 IDAB O=C([C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2O1)N1CCCCC1 12781315 ZCWFMFXGEBGMKM-IBGZPJMESA-N 442.497 1.825 0 40 IDAB COCCN(C(=O)COc1ccc(F)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13041691 FZVYNESFTDAXMR-UHFFFAOYSA-N 442.875 1.626 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(C)cc2)cc1OC 13647272 NZXULRZDRHLOAL-UHFFFAOYSA-N 435.546 1.885 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cccnc2SC)c(=O)[nH]c1=O 14507160 NUULRNKYOKHMBG-UHFFFAOYSA-N 441.513 1.729 0 40 IDAB COc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4c(C)n[nH]c4C)CC3)n2)cc1 15480237 XOQAWFBSAUUVIR-UHFFFAOYSA-N 432.506 1.592 0 40 IDAB C[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C 19076933 OTLGGJKPIWALSS-AVGNSLFASA-N 440.547 1.596 0 40 IDAB Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)c1 19234761 KNPNXTDHYXBTTO-LJQANCHMSA-N 444.557 1.692 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)c(-c2cccnc2)n1 19290311 WZQOUKCTXFBBID-UHFFFAOYSA-N 429.477 1.768 0 40 IDAB O=C(CN1CCN(C[C@H]2CCCO2)CC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292020 CDPRIHLFTNNDMA-VQTJNVASSA-N 443.592 1.082 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCN3C(=O)Cc3ccccc3F)[nH]c2=O)C1 19572971 CEYSQHPPDGLLNA-QGZVFWFLSA-N 434.493 1.133 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2cccnc2N)CCO1 19703084 GVHWZZAOHMNUDQ-HNNXBMFYSA-N 441.513 1.863 0 40 IDAB Cc1nc([C@H]2CCCN(C(=O)CN3Cc4ccccc4C3)C2)ncc1C(=O)N1CCOCC1 19763991 ZRHGAKFUMQWTNO-NRFANRHFSA-N 449.555 1.979 0 40 IDAB Cn1c(=O)c2c(SCCN3CCOCC3)nc(-c3ccc(Cl)cc3)nc2n(C)c1=O 20665124 GUWNOWPTSJXWAE-UHFFFAOYSA-N 447.948 1.772 0 40 IDAB COc1cc(CNCCN2CCOCC2)ccc1OCc1nnnn1-c1ccc(C)cc1 22108270 MZKSJGIAWYESRG-UHFFFAOYSA-N 438.532 1.980 0 40 IDAB C[C@H](Sc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 23368606 DLWFUDSPOOLQSI-JSGCOSHPSA-N 447.517 1.723 0 40 IDAB COc1ccc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1NS(C)(=O)=O 25599865 BTJACMQHVQGAKD-UHFFFAOYSA-N 432.458 1.371 0 40 IDAB COC(=O)[C@H](CCSC)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 32102243 BYXSGMOIEJRALO-INIZCTEOSA-N 445.563 1.006 0 40 IDAB CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1CN(c1ccc(S(N)(=O)=O)cc1)C2=O 35326655 LCQFTVGMUDBDJQ-QGZVFWFLSA-N 432.889 1.984 0 40 IDAB Cc1cc(N2CCN(C(=O)c3cc(C(=O)N4CCOCC4)nn3C)CC2)nc2ccccc12 36612425 XGTYVULPFVEZMC-UHFFFAOYSA-N 448.527 1.712 0 40 IDAB C[C@H]1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@H](C)O1 37866324 AJQZTAKQBATWLI-RYUDHWBXSA-N 435.887 1.888 0 40 IDAB Cn1cc(S(=O)(=O)N[C@H](COc2ccccc2F)c2ccccc2)c(=O)n(C)c1=O 40119648 KJCIMVNOAGYLMM-MRXNPFEDSA-N 433.461 1.322 0 40 IDAB COc1cc(NC(=O)C(=O)NCCc2ccccc2)ccc1N1CCCCS1(=O)=O 40267789 IYWHOFMLWBQQTQ-UHFFFAOYSA-N 431.514 1.923 0 40 IDAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cc[nH]n4)CC3)n2)CC1 72335964 KECHEHWHPPHOGQ-UHFFFAOYSA-N 432.550 1.859 0 40 IDAB O=C(O)[C@H](CCCCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100537565 QVQQYVHBVKGSMN-NJTXDLIISA-N 438.480 1.224 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCN1CCCC1 224264073 FRRYZFLKWSAJTI-UHFFFAOYSA-N 439.578 1.251 0 40 IDAB Cn1c(=O)sc2cc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccc21 225059025 LJEPGRNEKZIXCG-UHFFFAOYSA-N 433.511 1.873 0 40 IDAB CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)CN(C(=O)Cc3ccccc3)CC2)C1 306141429 VVTXVGNTFRKQQK-VWLOTQADSA-N 449.555 1.836 0 40 IDAB Cc1nnc2c(N3CC[C@@H](NS(=O)(=O)c4ccccc4Br)C3)nccn12 575414701 WGCMSLJCPIOQLQ-GFCCVEGCSA-N 437.323 1.752 0 40 IDAB Cn1cc(-c2ccc(CNS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cn2)cn1 575616159 JZNIWTVUXZBRQP-UHFFFAOYSA-N 425.470 1.614 0 40 IDAB CN(C1=NS(=O)(=O)c2ccccc21)[C@@H]1CCN(C2=NS(=O)(=O)c3ccccc32)C1 1888944011 UTMYACZBSGRNJC-CYBMUJFWSA-N 430.511 1.291 0 40 IDAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCO)CC(=O)N32)c(OC)c1 2107590 OTKJRFPKWCKFIY-WMZHIEFXSA-N 435.480 1.862 0 40 IDAB biogenic CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@@H]1c1ccc(O)c(OC)c1 2504041 UPGQFRBVQZRMBV-IINYFYTJSA-N 448.497 1.970 0 40 IDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1cc2c(cc1OC)C[C@@H](C)O2 9223367 CWIMTYJHHZATDP-SCYVGKGRSA-N 436.530 1.184 0 40 IDAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc3c(c2)OCO3)c2c(n(C)c(=O)n(C)c2=O)N1 9489373 SVPZMCQZXRBYAB-KRWDZBQOSA-N 427.457 1.843 0 40 IDAB COc1ccc(CNS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)cc1 11904731 XYROFLSXJMGYIE-UHFFFAOYSA-N 438.527 1.857 0 40 IDAB NS(=O)(=O)c1cccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c1 12745657 BGMYRVAKBLMERK-IBGZPJMESA-N 449.554 1.072 0 40 IDAB COc1cccc(N2C[C@H](C(=O)NCc3ccccc3S(=O)(=O)N(C)C)CC2=O)c1 13021763 BQAILFDNVUXODE-MRXNPFEDSA-N 431.514 1.615 0 40 IDAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 13084860 AXCKCKKKDZFXIL-OAQYLSRUSA-N 447.532 1.842 0 40 IDAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(OC)c(OC)cc1-n1cnnn1 19520542 WMBUPHUKBHNPIK-HNNXBMFYSA-N 449.471 1.598 0 40 IDAB CN(C)C(=O)[C@H]1CN(CCOc2ccccc2F)C[C@@]12COc1ccccc1C(=O)N2 19581122 RFIVXDYXXJNHAK-UZUQRXQVSA-N 427.476 1.786 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccccc3OC)C1)C2=O 19699620 LUIHKSLAROHGIE-MRXNPFEDSA-N 442.516 1.623 0 40 IDAB CC(C)CN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(S(=O)(=O)c3ccccc3)C1)C2=O 19699788 BVUJHONZTLMRRV-GOSISDBHSA-N 448.589 1.882 0 40 IDAB O=C(/C=C\c1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134405 IFPAQSZAMDVBJO-WAPJZHGLSA-N 436.447 1.888 0 40 IDAB COc1cccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)c1OC 26533959 KNNHQDKCPJYCIU-GZTJUZNOSA-N 425.441 1.806 0 40 IDAB CC(=O)Nc1ccc(OC[C@H](O)CNC[C@@H](O)COc2ccc(NC(C)=O)cc2)cc1 28295668 NFRHINBTPYCJGQ-WOJBJXKFSA-N 431.489 1.373 0 40 IDAB CCc1c(C)sc2c1c1nc(-c3ccncc3)nn1c(=O)n2CC(=O)N1CCOCC1 31818290 PAYWXPPBSLQEHT-UHFFFAOYSA-N 438.513 1.897 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(C(C)=O)CC2)c1 34872883 JOZNMADYDXLEQJ-UHFFFAOYSA-N 430.958 1.473 0 40 IDAB CN1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)cc2)CC1 40107863 GUSKBXLGYRVZAY-OAQYLSRUSA-N 441.576 1.618 0 40 IDAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)n1 72353698 GCHWQVMZJGAVHK-KRWDZBQOSA-N 438.532 1.774 0 40 IDAB COc1ccccc1OCCc1cc([C@H]2CCN(S(=O)(=O)N3CCOCC3)C2)n[nH]1 72371302 ZGKDIOUGUJHMOK-INIZCTEOSA-N 436.534 1.406 0 40 IDAB Cc1nc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)s2)c2n1CCCC2 79100842 RVVNSXADIMBQRH-UHFFFAOYSA-N 425.532 1.721 0 40 IDAB O=C(CN1CCN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1)Nc1ccc(F)cc1 95352950 SUMKPUWFAHJUCZ-RTBURBONSA-N 442.491 1.250 0 40 IDAB CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](c1cccs1)N1[C@H]3C(=O)N(C)C(=O)[C@@H]3[C@H](c3cccs3)N21 100774576 SPHHDFIPWOIWAC-PLZKBRGSSA-N 442.522 1.105 0 40 IDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCN(C(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)CC1)OC2=O 100814723 LHLRTIIKMVJLPU-YCAMKHIRSA-N 446.544 1.901 0 40 IDAB O=C(Cn1c(=O)[nH]c2c(-c3ccccc3F)c[nH]c2c1=O)NCc1ccc2c(c1)OCO2 101270637 YOVXYEPOFNBDBZ-UHFFFAOYSA-N 436.399 1.869 0 40 IDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCNC(=O)C[C@H]1c1ccccc1 109044270 XYJQGTFZYVPFPX-YWZLYKJASA-N 442.541 1.175 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 253568384 LDYIHPBPQXJLCA-FIXDAVPBSA-N 433.464 1.281 0 40 IDAB CC(=O)OC[C@]1(O)[C@H](OC(=O)c2ccccc2)C=C[C@H](OC(=O)c2ccccc2)[C@H]1O 257478257 LVQXSADIPBMJHN-VAWZGJIGSA-N 426.421 1.663 0 40 IDAB biogenic CC(=O)N1CCN(C[C@@]2(O)CCN(Cc3ccc(OCc4nccn4C)cc3)C2)CC1 585269628 DLFPETOTTPCLOA-QHCPKHFHSA-N 427.549 1.100 0 40 IDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 617976389 YSFVRINHZHYRIZ-ROUUACIJSA-N 437.562 1.234 0 40 IDAB NC(=O)c1cc(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)ccc1F 620691759 OYYJCLAKKSPHAO-UHFFFAOYSA-N 429.520 1.976 0 40 IDAB O=C(c1cncc(C(=O)N2CCOc3ncccc3C2)c1)N1CCOc2ncccc2C1 644062564 RXGUHYCNHHHTHH-UHFFFAOYSA-N 431.452 1.941 0 40 IDAB CCn1nc(C)c(S(=O)(=O)N2C[C@H]3CN(c4ncnc5c4ncn5CC)C[C@@H]3C2)c1C 2087065706 AKOLKTDJDOGVDP-HZPDHXFCSA-N 444.565 1.436 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)NC3CCCC3)n2Cc2ccccc2F)n(C)c1=O 1425629 XTSAKKCJBWVFNF-UHFFFAOYSA-N 445.520 1.772 0 40 IDAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)C1CCCCC1 1839653 TXDFOUIIROWEGL-GOSISDBHSA-N 440.378 1.584 0 40 IDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 3307271 AKVJXFBFKQGEDN-INIZCTEOSA-N 446.529 1.035 0 40 IDAB COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCCO3)N(C)C(=O)CNC(C)=O)cc1 3614675 ICPMSEZRJTYYRX-OAQYLSRUSA-N 427.457 1.741 0 40 IDAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)s1 6529561 GPWWTFKNJSMNRB-UHFFFAOYSA-N 428.536 1.636 0 40 IDAB Cc1cccc(OC[C@@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 7425899 IWNXKUMTHIOTMJ-HOTGVXAUSA-N 427.505 1.408 0 40 IDAB CCCN1C(=O)NC(=O)[C@]2(Cc3c(nc4c(C)cccn4c3=O)N3CCCCC[C@@H]32)C1=O 9129549 XMLATFSWMODIJN-WAIKUNEKSA-N 437.500 1.783 0 40 IDAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccccc4F)CC3)C2=O)cc1 9216146 QUBHDTQOYOVDHK-IBGZPJMESA-N 439.443 1.702 0 40 IDAB COc1cc(-c2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)o2)cc(OC)c1OC 9274698 PJVKXDLPKJGRNW-UHFFFAOYSA-N 438.396 1.997 0 40 IDAB CCCNC(=O)[C@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc2O1 9670479 IDYIEBFYDBKHBN-GOSISDBHSA-N 432.502 1.066 0 40 IDAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)c1ccc(N2CCCC2=O)cc1 10026912 CACNGKXUSWYQML-AWEZNQCLSA-N 448.570 1.894 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O 10031990 RFTXRACUOYPDLU-QHCPKHFHSA-N 438.484 1.507 0 40 IDAB Cc1c(C(=O)NCc2ccc(N3CCOCC3)nc2)sc2nc3n(c(=O)c12)CCC3 11153263 UFKNYKZFPVEJLV-UHFFFAOYSA-N 425.514 1.874 0 40 IDAB CN(CC(=O)N1C[C@@H](c2csnn2)[C@H](c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 12182803 UKHHZBRFFGNQKO-IXDOHACOSA-N 438.550 1.506 0 40 IDAB COCCCn1c(C(=O)N2CCC(C(=O)OC)CC2)cc2c(=O)n3ccccc3nc21 12421602 JGAUFVJYISKOLN-UHFFFAOYSA-N 426.473 1.711 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 12941396 GIBCDUQRJRUDQA-MRXNPFEDSA-N 433.486 1.270 0 40 IDAB COCCn1cnc2c1c(=O)n(CC(=O)NC1CCCCC1)c(=O)n2Cc1ccccc1 13141434 MILWEGVPUGSXKX-UHFFFAOYSA-N 439.516 1.503 0 40 IDAB C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16010090 PWWIMLJAYVPOBC-DMYLRXAQSA-N 443.862 1.781 0 40 IDAB CC(C)CN(Cn1nc(CCC(N)=O)n(CC(C)C)c1=S)[C@H]1CCS(=O)(=O)C1 22315572 UPNBKCSYXQCOFI-HNNXBMFYSA-N 431.628 1.591 0 40 IDAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O 22829889 LUHFSLGBDLVPPT-INIZCTEOSA-N 431.002 1.557 0 40 IDAB COc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 23322133 XQCMKMSEIUEONH-JLTOFOAXSA-N 448.497 1.883 0 40 IDAB C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 24756768 PGOSKEWYBNVETC-SWLSCSKDSA-N 444.351 1.054 0 40 IDAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cnc4ccccn4c3=O)cc2)n1 27530835 AROMBUAZJYCPRZ-UHFFFAOYSA-N 436.453 1.846 0 40 IDAB CCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 35291087 ADZXPXVJMWBKMI-UHFFFAOYSA-N 432.912 1.464 0 40 IDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 35344036 IZUXLYMGBULJET-UHFFFAOYSA-N 427.553 1.221 0 40 IDAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 40062194 LMEDPHOTRVDDIF-QGZVFWFLSA-N 425.551 1.663 0 40 IDAB CN(Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)C1CCN(c2ccccn2)CC1 95962949 SQLAUBAPACYGQV-UHFFFAOYSA-N 427.534 1.562 0 40 IDAB CC[C@H](C)NC(=O)CCNC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 97080080 AQLVUEJSCFHRQE-AWEZNQCLSA-N 449.577 1.490 0 40 IDAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H](C)C(=O)NCCO)cc1 222958802 FMAFSQUEPBAJLY-MRXNPFEDSA-N 430.501 1.781 0 40 IDAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 223467193 ODXNBNHKISWTPE-HXUWFJFHSA-N 435.521 1.923 0 40 IDAB Cc1cc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@]42CCN(C(=O)NC(C)C)C2)no1 306139414 SWRQKIZTIPGEAK-QFIPXVFZSA-N 440.504 1.203 0 40 IDAB CN1c2ccc(NC(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)cc2N(C)S1(=O)=O 390826435 KZFMRFMVQHCIKO-GFCCVEGCSA-N 447.542 1.538 0 40 IDAB CC(=O)Nc1cccc2c1ccn2CC(=O)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 524730396 HYEWPZQQASBYDX-MOPGFXCFSA-N 447.539 1.997 0 40 IDAB biogenic COc1ccc2c(=O)n(CC3CCN(C(=O)c4cn(C)c(=O)cc4OC)CC3)cnc2c1 1889236526 ACSISWGGYRNNCK-UHFFFAOYSA-N 438.484 1.665 0 40 IDAB CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNC(=O)Cc1ccc(Cl)cc1)OC[C@H]2n1ccc(O)nc1=O 2037977767 DADLTAGYDLCKPX-VVWQDTPRSA-N 449.891 1.421 0 40 IDAB CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cccc(Cl)c2)CC3)C1=O 2055795905 SFHPEWWLODGBMD-FQEVSTJZSA-N 439.965 1.686 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1OC 9037413 MURWNBWXOBYYSE-CYBMUJFWSA-N 434.470 1.764 0 40 IDAB O=C(Nc1ccnn1Cc1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9467447 UCXAARPSLUYXGA-UHFFFAOYSA-N 427.486 1.600 0 40 IDAB CCOC(=O)CNC(=O)CSc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 9600140 TXROCPCJOBIQPM-UHFFFAOYSA-N 444.922 1.980 0 40 IDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)nc2n1 9669693 XOXYXYASKPXTFG-UHFFFAOYSA-N 446.489 1.095 0 40 IDAB C[C@H](C(=O)N1CCN(C=O)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 10283917 FUCKROSXBAAYHW-QGZVFWFLSA-N 431.514 1.934 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 10665739 WIQPCJKGDIMUSP-UHFFFAOYSA-N 432.502 1.565 0 40 IDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)C1 11905992 MYUUTELWWMNNNC-AWEZNQCLSA-N 444.531 1.025 0 40 IDAB CN(CCc1ccccn1)C(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086609 GAXJVRZJAWOVHD-DEOSSOPVSA-N 436.512 1.656 0 40 IDAB O=C(NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1F 12164613 BEWTYNLBJHFHPX-UHFFFAOYSA-N 425.461 1.027 0 40 IDAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 12652624 WVVPMMMZEQMQFW-RTBURBONSA-N 440.452 1.920 0 40 IDAB biogenic O=C(CSC(=S)N1CCCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 13004786 UIAFSPCSSKKKDN-UHFFFAOYSA-N 431.580 1.773 0 40 IDAB NC(=O)c1ccsc1NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 13127689 YCTUJJXPTUGYSU-UHFFFAOYSA-N 440.522 1.321 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2ccco2)cc1 13151017 KYMPHESMHDZTSA-UHFFFAOYSA-N 445.497 1.805 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 15614980 NUSZIZAIFCIXLV-CYBMUJFWSA-N 447.351 1.919 0 40 IDAB COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)Nc3nc(C)cs3)c(=O)c2cc1OC 20761374 ATLCQVUUURZMOK-NSHDSACASA-N 431.474 1.322 0 40 IDAB biogenic COc1ccc([C@@H](CNC(=O)c2cc(N3CCOCC3)ccn2)N2CCOCC2)cc1 23989546 ALFSRHOTTFKEQK-JOCHJYFZSA-N 426.517 1.730 0 40 IDAB O=c1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2sccn12 25763633 SRNLUBOYUXHRMG-UHFFFAOYSA-N 448.526 1.034 0 40 IDAB Cc1nc(-c2ccccc2)nc2sc3c(=O)n(CCO)c(C(=O)NCCO)nc3c12 28286657 HUKRPZHVIGPVAG-UHFFFAOYSA-N 425.470 1.091 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCC(=O)O)C2=O)o1 35132202 KWMZDHFNEZGOJH-QPEQYQDCSA-N 445.340 1.531 0 40 IDAB Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCC(=O)NC[C@@H]2CCCO2)n1C 41078202 CSXNVQBRSUGSLB-HNNXBMFYSA-N 442.545 1.418 0 40 IDAB CCCS(=O)(=O)NC1CCN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1 48279453 KQBQCEDGAROUGJ-GOSISDBHSA-N 438.529 1.225 0 40 IDAB CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 67286927 ZDSZQHCJBIEEMZ-GOSISDBHSA-N 432.546 1.777 0 40 IDAB Cn1ccnc1[C@@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2)c1ccccc1 69598836 DOURNRBTQIZZQW-INIZCTEOSA-N 435.469 1.634 0 40 IDAB COc1ccc(CCNC(=O)c2cnn(C)c2-n2c(C)ccc2C)cc1S(N)(=O)=O 95455946 VYHNDGYGAYOVLI-UHFFFAOYSA-N 431.518 1.456 0 40 IDAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(S(=O)(=O)c2ccc(C)cc2)CC3)C1=O 96144424 ZOKLNQTUADYXNR-JOCHJYFZSA-N 433.574 1.867 0 40 IDAB CCOC(=O)[C@@H](N)CS[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O 100749716 NXQCKDNMDMGVKK-NWDGAFQWSA-N 448.282 1.547 0 40 IDAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCC(N)=O 106757458 UOFHUUBLDASASM-BOPFTXTBSA-N 447.513 1.998 0 40 IDAB C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1 223846250 GHYWPOVDSVXVLF-OAHLLOKOSA-N 439.559 1.580 0 40 IDAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCN1CCOCC1 408629846 IYSHRKILFOOFEP-UHFFFAOYSA-N 437.949 1.984 0 40 IDAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O 408653047 HINBHYTYQDBVTG-INIZCTEOSA-N 439.468 1.987 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 575421662 KTACUIQNTJGFEH-SJORKVTESA-N 441.527 1.053 0 40 IDAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CCO[C@H](C(=O)N4CCOCC4)C3)ncc12 1889149543 LCOOGEQNNVRGJU-SFHVURJKSA-N 427.505 1.279 0 40 IDAB Cc1cc(N2CCOCC2)nc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)n1 2087144473 YRDZEHXRNXWGIN-UHFFFAOYSA-N 436.516 1.040 0 40 IDAB Cc1cc(C(=O)N[C@@H]2C[C@@H](c3nc(C)nn3-c3nc4ccccc4[nH]3)CC[C@H]2O)n(C)n1 2332241662 UEICFPIFDDKLAG-POZUXBRTSA-N 434.504 1.921 0 40 IDAB Cn1c(=O)c2c(ncn2C[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)n(C)c1=O 952617 RMLXWCATAFKYHX-KRWDZBQOSA-N 444.495 1.435 0 40 IDAB biogenic COc1ccc(NC(=O)[C@@H]2C(=O)C(=O)N(c3ccc(OC)cc3OC)C2=O)c(OC)c1 1573066 WVHMJPURBJQQTO-KRWDZBQOSA-N 428.397 1.418 0 40 IDAB CCN(CC)CCn1c(C)cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 4945236 KQFQOANLZRYBTB-UHFFFAOYSA-N 426.496 1.987 0 40 IDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)Cc1ccccc1 8825032 YCFBEJNYKATUOE-KRWDZBQOSA-N 446.525 1.911 0 40 IDAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)cc1OC 9001359 VPHMHSYJCHROIE-UHFFFAOYSA-N 447.451 1.657 0 40 IDAB CN(CCOc1ccc(Cl)cc1)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 9223374 VYICEBGFVLLANK-UHFFFAOYSA-N 433.896 1.405 0 40 IDAB COc1cccc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 9585187 UUTLHJNBQTZUCC-UHFFFAOYSA-N 434.514 1.584 0 40 IDAB Cc1c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1CCOCCO 10233647 APPFHZYLMXTFBG-JXMROGBWSA-N 437.500 1.489 0 40 IDAB O=C(COC(=O)C1=COCCO1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 12599486 HQUUMNZFBDEGCX-UHFFFAOYSA-N 444.893 1.885 0 40 IDAB Cc1c(OCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)ccc2c3c(c(=O)oc12)CCCC3 15956069 RXLNFPDLAMNJEM-HXUWFJFHSA-N 444.484 1.701 0 40 IDAB biogenic COC(=O)CC[C@H](C(=O)CN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 17003521 CKRBQGWUDDRHNS-QGZVFWFLSA-N 434.404 1.470 0 40 IDAB Cc1c(C(=O)N[C@H](C)C(=O)N2CCC[C@@H](C(=O)CS(C)(=O)=O)C2)[nH]c2ccccc12 19565862 BVNGHLZWUSYKTE-HUUCEWRRSA-N 433.530 1.447 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc([C@H]4CCc5nncn5C4)cc3)ccc21 19699173 MYCQTKRXYYAZQU-HNNXBMFYSA-N 438.513 1.999 0 40 IDAB CN1CCN(C2=C(Cl)C(=O)N(c3ccc(I)cc3)C2=O)CC1 19901707 CJUOYJPMWNCPHI-UHFFFAOYSA-N 431.661 1.862 0 40 IDAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 22804886 RLFUEEJITOTHLV-UHFFFAOYSA-N 429.565 1.674 0 40 IDAB CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)N3CCN(CCO)CC3)c(O)n2n1 22854633 KXRGIUDKKFNXFE-SFHVURJKSA-N 447.561 1.775 0 40 IDAB O=C(Cn1cnc2sccc2c1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 32971067 LCQAOOGMYNTMOD-UHFFFAOYSA-N 431.499 1.567 0 40 IDAB Cn1c(C(=O)O)c([C@H](C(=O)O)N2CCN(CC(=O)N3CCCC3)CC2)c2ccccc21 36358706 DZANCHZFOJJHBH-HXUWFJFHSA-N 428.489 1.242 0 40 IDAB O=C(CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1ccc2c(c1)OCO2 36593903 UJLZQNPGAMBWIV-OAHLLOKOSA-N 439.424 1.865 0 40 IDAB O=C(NCCCN1CCN(c2ncccn2)CC1)c1nc(N2CCCC2)ncc1Cl 40153346 HDIPUCRRZVXPHG-UHFFFAOYSA-N 430.944 1.462 0 40 IDAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)c(OC)c1 40285834 OIAIJTBAUGBIJY-UHFFFAOYSA-N 447.513 1.889 0 40 IDAB COc1cccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)c1 57520640 HKABECSMZFPYNZ-UHFFFAOYSA-N 429.502 1.082 0 40 IDAB CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 57730133 ORYJNONGDYMCSG-GFCCVEGCSA-N 429.506 1.150 0 40 IDAB COc1ccc(CCC(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1O 60322409 PQKQQOXUGZAQCC-CYBMUJFWSA-N 448.497 1.502 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)NCc4ccc(F)cc4)c(=O)c3s2)CC1 67225928 KWYMIPQEAZGDPB-UHFFFAOYSA-N 430.509 1.450 0 40 IDAB Cc1ccc(F)cc1-n1ccn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c1=O 67320386 FGTASENSVUUPCK-UHFFFAOYSA-N 440.450 1.935 0 40 IDAB Cn1nccc1C(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 72337592 HEDNQMBXBKQDFR-UHFFFAOYSA-N 430.530 1.940 0 40 IDAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C1CC1 95457536 IBVOJPJXVOECPG-VIFPVBQESA-N 445.009 1.489 0 40 IDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)NCc1ccco1 102307673 TUAJYHNELQHMGN-UHFFFAOYSA-N 434.445 1.333 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 229802099 KXOOYMPHUPMNSA-CJXDPKRBSA-N 449.799 1.304 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2CN(C(=O)c3cn4cccnc4n3)CCN2C)cc1C 257322048 WEKBAOHQBLYUJQ-IBGZPJMESA-N 436.516 1.161 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3ccccc3F)C2)cs1 306123791 AWSAQVYRZWICGF-NRFANRHFSA-N 427.505 1.905 0 40 IDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 408597524 XFVWAXTXHHJROY-NSHDSACASA-N 440.449 1.935 0 40 IDAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O 408650118 APHLZVAVXNMVKA-INIZCTEOSA-N 439.468 1.987 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCOCC4(CC4)C3)CC2=O)cc1 542987453 KTZYTIXHXFYPMV-QGZVFWFLSA-N 449.573 1.709 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)c4cc5ccccc5n4C)C[C@@H]23)n1 1549161185 FCWKBSBHMSWOLK-LJQANCHMSA-N 432.484 1.812 0 40 IDAB CC(C)C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NCC(=O)O 2120577 YUCMYBQLKQOQAJ-SFHVURJKSA-N 444.484 1.782 0 40 IDAB biogenic O=C(COc1ccc(Cl)cc1)NCCC(=O)N1CCC2(CC1)NCCc1[nH]cnc12 9410264 QUQBECAVYHKWBD-UHFFFAOYSA-N 431.924 1.612 0 40 IDAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N[C@H]1C=CS(=O)(=O)C1 9435427 ZMHMVIISSIMGCM-AWEZNQCLSA-N 427.434 1.971 0 40 IDAB biogenic COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(OC)ccc3OC)n2)cc1 9661015 SULDBTBNLAANQB-UHFFFAOYSA-N 445.497 1.915 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)N2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 9683094 ISYCDTVQVSFOSE-XMHCIUCPSA-N 425.441 1.896 0 40 IDAB CC(=O)Oc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c2ccc(C)cc2)cc1 10000250 RJSAZYAZEHPDSI-UHFFFAOYSA-N 426.425 1.192 0 40 IDAB COc1cc(OC)cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1 10188090 DZQASMCHQFJERA-UHFFFAOYSA-N 433.530 1.586 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)n(C)c1=O 12116200 NNKKIUNRMVPNEQ-ZXFUBFMLSA-N 425.464 1.510 0 40 IDAB COC[C@H](C)N1C[C@@H](C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)CC1=O 12220753 QPGROECNBSWTEC-YJBOKZPZSA-N 438.528 1.923 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)c1 13117156 ITRQQQBLPFVPAU-QGZVFWFLSA-N 436.530 1.450 0 40 IDAB O=C(CSc1nnnn1-c1ccc(O)cc1)NCC1(N2CCOCC2)CCCCC1 14239127 DSKXVDIXXXGXNB-UHFFFAOYSA-N 432.550 1.611 0 40 IDAB COC[C@H](C)N1C[C@H](C(=O)N2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)CC1=O 19456558 XHWUFOROHQRMBU-JKSUJKDBSA-N 430.501 1.905 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)n1 19694766 JDLGGLWBJOCGLF-QGZVFWFLSA-N 436.516 1.247 0 40 IDAB CCS(=O)(=O)N1CCC(c2nc([C@@H]3CC(=O)N(CCOC)C3)cc(N(C)C)n2)CC1 19697335 YQJWYWBMQWPMPX-MRXNPFEDSA-N 439.582 1.034 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2ccnn2C)CCO1 19702914 CZGNJUUMLOGEPI-OAHLLOKOSA-N 429.502 1.620 0 40 IDAB CN(Cc1cc(N(C)C)nc([C@H]2CCCN2C)n1)C(=O)Cc1ccc(S(C)(=O)=O)cc1 19710751 LPDVTJJVCSAWSJ-LJQANCHMSA-N 445.589 1.914 0 40 IDAB COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCOCC3)c(=O)[nH]c2c1 19940420 ZJAZJENZXBKVMH-VQIMIIECSA-N 426.477 1.124 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 20031954 OFSXEOHUDGUYOX-MRXNPFEDSA-N 437.543 1.051 0 40 IDAB CS(=O)(=O)N1CCC(C2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 20275160 ZXKZAOOQRNDVJU-IBGZPJMESA-N 437.537 1.841 0 40 IDAB C[C@@H](OC(=O)CNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 20883734 DHAJOSCFOVHWHK-GFCCVEGCSA-N 445.453 1.067 0 40 IDAB NS(=O)(=O)c1ccc(Br)c(C(=O)OCN2C(=O)c3ccccc3C2=O)c1 25445731 OFECIRLZMHEINX-UHFFFAOYSA-N 439.243 1.507 0 40 IDAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCN(Cc2ccccc2)CC1 25748392 ZCCJOWYLNYHIAG-JOCHJYFZSA-N 445.523 1.975 0 40 IDAB Cc1cc(N2CCN(C(=O)CN(C)S(=O)(=O)c3cccs3)CC2)nc(C(C)C)n1 31493808 XIIXWHPHTMIFJE-UHFFFAOYSA-N 437.591 1.939 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@@H]2C[C@H](C)OC2=O)CC1 32736528 HJVPDWGWJKGTJQ-SWLSCSKDSA-N 425.459 1.121 0 40 IDAB COc1ccc2c(c1)CN(C(=O)[C@@H]1CCC(=O)NC(=O)N1)C[C@]1(CCCN(C)CC1)O2 72394501 NONDFEBESQEWGC-HTAPYJJXSA-N 430.505 1.259 0 40 IDAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1cccnc1 95471269 RKSQYXICRAPZCN-NVXWUHKLSA-N 448.520 1.443 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C)CC(=O)c2ccco2)cc1C 97165164 UQTQLXYRUUOKNF-DOTOQJQBSA-N 449.529 1.587 0 40 IDAB CC(C)C[C@@H](C(=O)Cc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100971835 ZDSUGXMZPJTIJK-UHBFJLORSA-N 430.526 1.667 0 40 IDAB COC(=O)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1cccnc1 108169772 MUVXZKLWJNOJTN-DOTOQJQBSA-N 437.543 1.883 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222839193 YHPWPATUTYEOBK-INIZCTEOSA-N 433.530 1.625 0 40 IDAB CS(=O)(=O)N(CCCC(=O)NCCCN1CCCCC1)c1ccc2c(c1)OCCO2 224423527 LGRKKCQWCXIQRJ-UHFFFAOYSA-N 439.578 1.996 0 40 IDAB COc1cccc(NC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 224501604 DOWKTNOLVBESRL-UHFFFAOYSA-N 435.502 1.917 0 40 IDAB COC(=O)CN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(F)cc1 224925978 JRYFLFKRLZXEAV-UHFFFAOYSA-N 441.433 1.998 0 40 IDAB C[C@]1(O)COC2(CCN(C(=O)COc3ccccc3Cl)CC2)C[C@@H]1NS(C)(=O)=O 257253660 JZTQPHJZWWGFQW-WMZOPIPTSA-N 446.953 1.169 0 40 IDAB O=C1[C@H]2[C@H](C(=O)N1c1ccc(I)cc1)[C@@]1(C3OCCO3)C=C[C@H]2O1 409275690 LJKAEFOVLAMOEG-HPTBWKMGSA-N 439.205 1.477 0 40 IDAB CCOc1ccccc1S(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@H]2C1 1888932230 AOWUXCKKTFWFIH-GJZGRUSLSA-N 428.518 1.519 0 40 IDAB COc1cc(C)c(S(=O)(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)cc1C 1888941740 KIJVHUVJSCQEEH-HOTGVXAUSA-N 442.545 1.746 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)NC3CCCC3)n2Cc2ccccc2)n(C)c1=O 930444 OJQNDSCUPYZVDC-UHFFFAOYSA-N 427.530 1.633 0 40 IDAB O=C(O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 2338685 ITLLBGBJIXZGKY-FAODYONGSA-N 437.427 1.611 0 40 IDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 4400424 WLTXBJDNNIVYSH-GWCFXTLKSA-N 435.481 1.294 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1OC 9126080 OHSFNRFKGACAFS-UHFFFAOYSA-N 430.490 1.190 0 40 IDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 9633418 HOTPXOFHEOHVTC-UYRXBGFRSA-N 427.486 1.973 0 40 IDAB O=C(CN1CCN(C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1)Nc1ccc(F)cc1 12980711 RTBVTMAYSNUMIV-UHFFFAOYSA-N 431.512 1.492 0 40 IDAB COc1ccccc1C(=O)NCCC(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 14186220 HMLIVXCIBUEJMZ-UHFFFAOYSA-N 432.454 1.203 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccccc3)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 16022149 OTEVWJFZAPLMQH-PUFAWVJESA-N 433.508 1.913 0 40 IDAB C[C@H](C(=O)NCCN1CCCC1=O)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 19080097 RCLIBBSCKVQHFQ-MWTRTKDXSA-N 427.501 1.530 0 40 IDAB O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2)NCCCN1CCOCC1 19374541 IJWVWOGJYPVMLQ-QHCPKHFHSA-N 429.517 1.242 0 40 IDAB COC[C@@H](CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)OC(=O)c1ccccc1 19638428 BEYGRJFMKKXYLN-GOSISDBHSA-N 443.525 1.625 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)NC(=O)N[C@@H]1C 23654405 MUEDJTHHBAJSFC-IIAWOOMASA-N 429.473 1.658 0 40 IDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)C1 32755069 YCWMXDIQBLHMGS-TVFCKZIOSA-N 436.644 1.049 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 32892747 YMFJAAUPEBIQNZ-HXUWFJFHSA-N 445.541 1.535 0 40 IDAB CN1[C@@H](CCC(=O)NCc2ccc(F)cc2)CNC(=O)[C@@H]2[C@H]1CCN2C1CCOCC1 35442403 GIIMQAASKXTJKF-VWPQPMDRSA-N 432.540 1.274 0 40 IDAB biogenic,in-vitro COc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1OC 38756408 QGKDQXJPOCMSOR-UHFFFAOYSA-N 444.513 1.972 0 40 IDAB C[C@@H](Sc1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 40154033 CKZFFLHMZCFFNG-OAHLLOKOSA-N 447.026 1.457 0 40 IDAB C[C@H]1CN(c2ccc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)cc2F)C[C@H](C)O1 48365458 DRYNGBVMQJKVJO-STQMWFEESA-N 441.463 1.637 0 40 IDAB COCCn1nnnc1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 57615874 FDIFZSQTCOLAOY-SFHVURJKSA-N 428.493 1.351 0 40 IDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 58134520 QTIAXMVMOPCQJB-MRXNPFEDSA-N 442.417 1.822 0 40 IDAB CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NCC[C@@H](O)c3cccs3)cc21 77115812 FYZVGLJMOZIAIY-MRXNPFEDSA-N 437.543 1.639 0 40 IDAB Cc1cccn2cc(COc3ccccc3C(=O)NC[C@H]3CS(=O)(=O)CCO3)nc12 95454252 CVFVFSCJIAQZEP-KRWDZBQOSA-N 429.498 1.765 0 40 IDAB CC(=O)CN1CC2(CCN(C(=O)c3c[nH]nc3C)CC2)COc2ccccc2S1(=O)=O 96263554 ARBNOPSYKQNZPB-UHFFFAOYSA-N 446.529 1.613 0 40 IDAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2ccco2)[C@@H]31 169683305 VEAZGPPZOQXRGA-LOTUNTCHSA-N 432.479 1.587 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)s1 223705341 JFSOHGCCBMIEAN-UHFFFAOYSA-N 425.492 1.160 0 40 IDAB O=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CC[C@@H](N2C(=O)COC2=O)C1 225700875 VAYJNARYCCTPSA-MRXNPFEDSA-N 447.444 1.820 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCCO1 244983751 IPOJHGIIGWHNFZ-LSDHHAIUSA-N 429.564 1.093 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(C(N)=O)CC2)C1 408592698 OBHODLMXFDFKPD-CQSZACIVSA-N 443.953 1.473 0 40 IDAB CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 575424236 UEWKQQPWAZPDAJ-MRXNPFEDSA-N 426.516 1.294 0 40 IDAB COc1cc(CN2C[C@H](O)C[C@@H](NC(C)=O)[C@H](O)C2)ccc1OCCN1CCC(C)CC1 2037924036 KIAUFDNZGMZGSD-YPAWHYETSA-N 449.592 1.238 0 40 IDAB CN(C(=O)CN1CC=C(c2ccccc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3343974 LLYCCIAHCDJNRK-UHFFFAOYSA-N 445.523 1.919 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)cc1 8727182 MXOLDJFWPJTTSJ-UHFFFAOYSA-N 426.502 1.508 0 40 IDAB CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3ccc4c(c3)OCO4)c2n1 8947179 CBZQGPRSXBJGQU-UHFFFAOYSA-N 442.501 1.544 0 40 IDAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)cc1 9001104 MGDMDSMDQHJWAI-UHFFFAOYSA-N 429.436 1.843 0 40 IDAB CCN(C(=O)COC(=O)COc1ccc2c(C)cc(=O)oc2c1)[C@H]1CCS(=O)(=O)C1 9492892 OIELGYNBMOOZHF-AWEZNQCLSA-N 437.470 1.059 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCCc2ccccc2)c1 9807365 JXWDAUNKURTWMO-HXUWFJFHSA-N 443.569 1.932 0 40 IDAB CC(C)CCn1c(CSc2nnnn2C)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 9951848 PANBPLAUNASBCB-UHFFFAOYSA-N 440.533 1.797 0 40 IDAB COCCOc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(C(=O)O)cc1OC 10511860 LSAXBLMFYXMOSY-UHFFFAOYSA-N 439.442 1.991 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](c2cnn(C)c2C)NS(=O)(=O)N1C 12130977 SAZVZMCCJHAYQI-ZFWWWQNUSA-N 427.914 1.609 0 40 IDAB CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc(OC)cc1 13127372 BSHMBAHJMWWVFR-KRWDZBQOSA-N 432.454 1.806 0 40 IDAB CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(Cl)cc1 13756729 MEUXRWPSGKEJIB-RCCFBDPRSA-N 443.836 1.637 0 40 IDAB COc1cc(CN2CCc3nc(N4CCOCC4)nc(O)c3CC2)cc(OC)c1OC 19549890 CFTCBHASJHIAGY-UHFFFAOYSA-N 430.505 1.645 0 40 IDAB Cc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1-n1cnnn1 19571586 RPWZLAOIEOSWNT-UHFFFAOYSA-N 442.501 1.206 0 40 IDAB O=C(NCCN1CCN(C(=O)c2c(F)cccc2F)CC1)C(=O)Nc1ccc(F)cc1 19831552 RVDQKUMTHDQGFK-UHFFFAOYSA-N 434.418 1.617 0 40 IDAB O=C(CCc1ccc(F)cc1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 23060636 JNEVRPCJQFVFBQ-UHFFFAOYSA-N 434.489 1.835 0 40 IDAB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)Nc2nc[nH]n2)c1 23142135 OVAHHWSMYVZDCE-CQSZACIVSA-N 427.490 1.870 0 40 IDAB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCN(c2ccc3nncn3n2)CC1 30549819 BVNIARYUZHZEEP-ZDUSSCGKSA-N 427.440 1.095 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCn1cnc2ccccc2c1=O 32493750 SMKNTTUEPPVZSH-UHFFFAOYSA-N 426.498 1.626 0 40 IDAB O=C1N[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CS[C@@H]1Cc1ccccc1F 40052189 HRXMGTJELOOVAB-VQTJNVASSA-N 441.528 1.953 0 40 IDAB O=C(OCCNS(=O)(=O)c1ccccc1)c1sccc1S(=O)(=O)N1CCCC1 40153103 YYQJXHUHURLTGW-UHFFFAOYSA-N 444.556 1.668 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)NCCN1CCN(C(=O)c2cccs2)CC1 44226975 GSQDTEUILZOERC-UHFFFAOYSA-N 427.523 1.632 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)NCc4ccc(OC)cc4)c(=O)c3s2)CC1 67225947 JEPKEEOOYRFXCS-UHFFFAOYSA-N 442.545 1.320 0 40 IDAB COC(=O)CC1CCN(C(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 71288879 IJMSJTVRCCIFSI-UHFFFAOYSA-N 436.940 1.973 0 40 IDAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 90612728 JOSANOSBZRRDTF-QGZVFWFLSA-N 437.452 1.429 0 40 IDAB Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 95980147 NYURJCPDFONSEQ-CYBMUJFWSA-N 426.882 1.773 0 40 IDAB O=S1(=O)CC[C@H](NC2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)C1 97163883 HZYCZRZGJWALAV-ZDUSSCGKSA-N 442.481 1.515 0 40 IDAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CN(Cc1ccco1)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100098729 PRSZJVBRIAQRQQ-DGGRKJDJSA-N 447.491 1.611 0 40 IDAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 223536592 NFNZCCYNXJLSAJ-OAQYLSRUSA-N 447.557 1.793 0 40 IDAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-n2cnnc2)c1C 223643899 PDDVYKKRNMYARF-MOPGFXCFSA-N 425.518 1.938 0 40 IDAB CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C 245229906 IFAWXFBHEBGLFS-LBCMIMDZSA-N 425.529 1.777 0 40 IDAB CN1CCN(C(=O)c2cn3cccnc3n2)C[C@H]1C(=O)NCc1ccc2c(c1)CCCO2 257245818 IREQMUYGNXLGAC-IBGZPJMESA-N 434.500 1.127 0 40 IDAB O=C(NCc1cccnc1)[C@H]1CN(CC2CC2)C[C@]2(CCN(C(=O)c3cccnc3)C2)O1 306142480 XAJRQCIQCIUQEO-QPPBQGQZSA-N 435.528 1.489 0 40 IDAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCN2CCOCC2)cc1 408624187 UXGUTVUOYJNWFM-UHFFFAOYSA-N 445.585 1.677 0 40 IDAB O=C(CNS(=O)(=O)c1ccc(I)cc1)NCCc1ccccc1 408998274 LFMPITWFEYFSFP-UHFFFAOYSA-N 444.294 1.928 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(F)c(F)c4)C[C@@H]23)n1 1549163059 YFPHFYKLVBSWLZ-MRXNPFEDSA-N 430.415 1.991 0 40 IDAB CN(C(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1)C1CN(c2cc3c(nn2)CCC3)C1 1888910605 AELKMKYCUNCVHW-UHFFFAOYSA-N 434.475 1.670 0 40 IDAB O=C(Nc1cccnc1)N[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@H](O)[C@H]1c1cnc(C2CC2)[nH]1 2332241811 MCFPUFLEFNGUNT-QFHJOOASSA-N 440.504 1.196 0 40 IDAB COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4cccs4)CO[C@H]23)cc1 4235632 JCMNKZVXHNJSGP-XOSAIJSUSA-N 440.499 1.819 0 40 IDAB biogenic,in-vitro O=C(COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1)c1ccc[nH]1 9465811 BMTVECMNZBZNOQ-VQIMIIECSA-N 428.466 1.718 0 40 IDAB CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)n2cnc3c2c(=O)n(C)c(=O)n3C)c1 9477740 AGUTZTHNFVJCIM-SFHVURJKSA-N 431.452 1.864 0 40 IDAB Cc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)cnc32)c1 9517814 PFOVDWDYVUNTNI-UHFFFAOYSA-N 429.484 1.634 0 40 IDAB COCCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 9747504 QQNXXKNXRBCYRS-HNNXBMFYSA-N 431.942 1.152 0 40 IDAB COc1ccc(OC[C@@H](O)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1 10385367 OWHMZYVPIVCPRD-CABCVRRESA-N 443.504 1.108 0 40 IDAB O=C1N[C@H](CC(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)c2ccccc21 12142337 NXARRCCWTPBOPR-QGZVFWFLSA-N 426.498 1.584 0 40 IDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)cc1 13513629 XJLFPKSRXPRYMQ-OAHLLOKOSA-N 443.591 1.396 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1OC 13568810 CWHNNKQYEWQIQX-UHFFFAOYSA-N 436.486 1.742 0 40 IDAB O=S(=O)(c1ccc(N2CCN(c3ncnc4ccsc34)CC2)nc1)N1CCOCC1 14322062 GKOFBTKOMIMLRW-UHFFFAOYSA-N 446.558 1.434 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 17099515 GZTQQZYZXUEMLM-UHFFFAOYSA-N 435.483 1.409 0 40 IDAB COC(=O)[C@H](CCCC(=O)CN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 17430273 OQPNFJIUGQEEAI-IBGZPJMESA-N 448.431 1.860 0 40 IDAB O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCCN1CCOCC1 22401866 UZLSGJZIKXUCIC-UHFFFAOYSA-N 441.550 1.921 0 40 IDAB C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)C(=O)NC(=O)NC(C)(C)C 22419212 MPADCVBTCPFZKY-SECBINFHSA-N 446.533 1.797 0 40 IDAB CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 22851599 QIBYDYMXVUFFOB-GOSISDBHSA-N 428.464 1.280 0 40 IDAB COc1cc(Br)c(CC(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)cc1OC 25054712 WRYATXSGHIPMGX-SECBINFHSA-N 429.267 1.929 0 40 IDAB CS(=O)(=O)N1CCC(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CC1 29825450 YWSUDMCSRIIHOS-UHFFFAOYSA-N 431.493 1.956 0 40 IDAB CC1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)CC1 35312006 BBGBPFYUQFTQJA-AQFXKWCLSA-N 432.550 1.758 0 40 IDAB Cc1csc(CC(=O)N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)CC2)n1 36385410 WLJJZOUXGBHREK-UHFFFAOYSA-N 445.501 1.215 0 40 IDAB COC(=O)[C@@H](CCSC)NC(=O)CCNC(=O)CCNC(=O)c1ccc(Cl)cc1 41157823 KBXFACNREVTJMF-OAHLLOKOSA-N 443.953 1.377 0 40 IDAB CCOC(=O)Cn1nnnc1CN(Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 57607288 NDVZJPPQJAUUCM-SFHVURJKSA-N 440.504 1.567 0 40 IDAB COC(=O)c1sccc1NC(=O)Cn1cccc(S(=O)(=O)N2CCCC2)c1=O 67245819 AIQZSGVPYPXVKT-UHFFFAOYSA-N 425.488 1.120 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1 67336876 HHKYHAQMLZHJNN-UHFFFAOYSA-N 447.448 1.029 0 40 IDAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)CNC(C)=O)nc32)cc1 72371917 PGBBRNYMOWCEFQ-LJQANCHMSA-N 437.500 1.683 0 40 IDAB Cc1cc(NC(=O)C2CCN(C(=O)CN3C(=O)NC4(C[C@@H](C)C[C@H](C)C4)C3=O)CC2)no1 89605159 DZIHSNZLTUTLRI-KBPBESRZSA-N 445.520 1.907 0 40 IDAB Cn1c(C(F)(F)F)nn(CCNS(=O)(=O)c2ccc(Br)s2)c1=O 90591510 LNJQFBKSGOTDFU-UHFFFAOYSA-N 435.247 1.403 0 40 IDAB CN(C)C(=O)CN1[C@H]2CCN(C(=O)CC3CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145833 DUMYXFZNYFUXLT-IRXDYDNUSA-N 435.546 1.318 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4F)[C@@H]3C2=O)cc1OC 101169827 XYWOEQOHBSNJDB-ROUUACIJSA-N 427.392 1.775 0 40 IDAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 219269301 DCUHWMKAPUBELF-CQSZACIVSA-N 441.941 1.867 0 40 IDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2[C@H]3CC[C@H]2Cn2c(nc4ccccc4c2=O)C3)C1=O 248027088 KPSPJIPGSWRIMU-XAPDGSRCSA-N 435.484 1.033 0 40 IDAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C1(C)CCN(c2ncccn2)CC1 257230699 GDMBZWLOJYIZEM-FQEVSTJZSA-N 436.560 1.542 0 40 IDAB CCn1ccc(C(=O)N2CCN(C)[C@H](C(=O)N3CCC(COc4ccccn4)CC3)C2)n1 257329780 XLNCPZAZVNVIFW-FQEVSTJZSA-N 440.548 1.372 0 40 IDAB O=S(=O)(Cc1ccccc1)N1CCO[C@@]2(CCN(S(=O)(=O)c3ccccc3)C2)C1 306142052 WNXGYHZKUBHESZ-FQEVSTJZSA-N 436.555 1.682 0 40 IDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)CC1 575616057 PGAUNOWLQLEMRQ-UHFFFAOYSA-N 436.456 1.279 0 40 IDAB Cn1cc(S(=O)(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1C(N)=O 1193386707 WYLIQHNDZGCVQZ-UHFFFAOYSA-N 448.545 1.896 0 40 IDAB O=C1CCCN1CCCOc1ccc(CNC[C@@]2(O)CCN(c3ncccn3)C2)cc1 2037921689 HCJQYFJRWNKAJD-QHCPKHFHSA-N 425.533 1.599 0 40 IDAB CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(S(=O)(=O)CC)ccc2O1 1395412 IQAZOMUKNQTZMX-GOSISDBHSA-N 439.511 2.000 0 40 IDAB C[C@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)NC1CCCCC1 5702646 OPRKPZMYGQMERM-HNNXBMFYSA-N 426.608 1.947 0 40 IDAB CCOc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(OC)cc2)cc1 8849162 DGXVWAGQTPVXMT-UHFFFAOYSA-N 437.456 1.603 0 40 IDAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC(=O)NCc1ccco1 8882528 DCBMIKGEXHKSOG-UHFFFAOYSA-N 428.228 1.885 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)N(C)Cc2ccccc2)[C@H](C)O)cc1 9052076 FCUGJRISIZQPDB-OXJNMPFZSA-N 434.514 1.225 0 40 IDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 9182381 PLJGRTKDYLEEBN-KKUMJFAQSA-N 439.534 1.744 0 40 IDAB CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 9330967 TVISSERFJHLDBX-KSSFIOAISA-N 438.569 1.266 0 40 IDAB biogenic C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 9487886 NNSUSKCZRXNSJQ-QOKNQOGYSA-N 441.459 1.495 0 40 IDAB CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)c1 9745344 YQGAOJDTJTWZRO-UHFFFAOYSA-N 429.546 1.983 0 40 IDAB O=C1NCCN(C(=S)Nc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 9926841 HTWSXNKKHSJEAZ-HXUWFJFHSA-N 437.569 1.923 0 40 IDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCN(c2ccc(F)cc2)CC1 10233905 PMQDGXVXKRYGGW-UHFFFAOYSA-N 439.495 1.254 0 40 IDAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)CC[C@@H]2CCCO2)CC1 12230030 QYWUUNKFVCABIY-SFHVURJKSA-N 445.545 1.639 0 40 IDAB O=C(CSC(=S)N1CCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12859544 ZHLGNCVJUWANCL-UHFFFAOYSA-N 431.580 1.773 0 40 IDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13097326 IHVCDVQNXHSOGT-KSSFIOAISA-N 447.513 1.659 0 40 IDAB Cc1ccc(S(=O)(=O)[C@@H](C[C@H](NC=O)S(=O)(=O)c2ccc(C)cc2)NC=O)cc1 17191348 DDTMEZWPGDNZMA-KDURUIRLSA-N 438.527 1.085 0 40 IDAB CC(C)N1C[C@H](C(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)CC1=O 19447664 WNFLNNQGRYGSNI-VVBPWWLESA-N 435.471 1.423 0 40 IDAB CCn1cc(S(=O)(=O)N2C[C@@H](c3ccnc(N4CCCC4)n3)[C@H](CN(C)C)C2)cn1 19525091 HRUFWMGVLWXJFC-SJLPKXTDSA-N 433.582 1.259 0 40 IDAB CN1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4cc[nH]n4)CCO3)nc3ccccc23)CC1 19759193 JTYGJCGAVOPAQU-OAQYLSRUSA-N 434.500 1.559 0 40 IDAB CN(c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1ccccc1 19937849 GZQYMIKPLMTOBO-UHFFFAOYSA-N 431.514 1.614 0 40 IDAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1Cc1ccccc1 21817402 QMDVVEWFPIQSAW-LJQANCHMSA-N 447.944 1.974 0 40 IDAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1ccccc1I 22934446 MMQXUYCVPJVJNI-UHFFFAOYSA-N 442.301 1.126 0 40 IDAB CCCn1c(=O)n(CC(=O)Nc2cccc(CC)c2)c(=O)c2c1nc(C)n2CCOC 32958125 IGTYROPZNDRRRO-UHFFFAOYSA-N 427.505 1.926 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cccc(F)c1 34867497 AUKWKKUSLBSENJ-UHFFFAOYSA-N 435.477 1.542 0 40 IDAB Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 38670724 SMDRKLISOBAMQB-UHFFFAOYSA-N 446.577 1.868 0 40 IDAB Cc1cccc(N2CCN(S(=O)(=O)c3nn(Cc4ccccn4)cc3C(=O)O)CC2)c1 49411673 PHBFBPSAMPRAQE-UHFFFAOYSA-N 441.513 1.844 0 40 IDAB CC(=O)[C@H](C)n1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C 56923737 IFIRKNANIDEHOG-AWEZNQCLSA-N 442.495 1.045 0 40 IDAB C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1nnc(N2CCOCC2)s1)c1ccc(F)cc1 58232054 OFQLEGKOAJSUOU-VXGBXAGGSA-N 428.511 1.553 0 40 IDAB CCC(=O)Nc1ccc(C)c(NC(=O)NCC(=O)N2CCN(c3cnccn3)CC2)c1 65540719 BFHGOAOYJJFHLK-UHFFFAOYSA-N 425.493 1.604 0 40 IDAB O=S(=O)(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1c(F)cccc1F 70924468 MKOQGUQMYNFOLO-UHFFFAOYSA-N 431.486 1.739 0 40 IDAB O=C(CN1CCN(c2nnnn2-c2ccccc2)CC1)NCCc1cccc2cccnc12 78336330 LVUHLMHVRODVRH-UHFFFAOYSA-N 442.527 1.691 0 40 IDAB Cn1cc(CN2C[C@@H]3CN(Cc4nccs4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 96056190 JJXMEXBRGGADLD-UGKGYDQZSA-N 444.605 1.450 0 40 IDAB C[C@H](O)[C@@H](O)/C=C/C=C/C(=O)O[C@@H]1C=C(C(=O)O)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 96111369 CDLCYGMBGYOXDH-JGYHFTTGSA-N 438.517 1.333 0 40 IDAB biogenic,in-vitro O=C(Nc1ccc(F)cc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccncc1)S3(=O)=O)O2 96145991 GLXPELJFJNMEDO-HBFSDRIKSA-N 432.477 1.810 0 40 IDAB CCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 101360915 HEQTYXGTZHVIOU-BZDHPDOMSA-N 429.425 1.741 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102704763 NJZJPHWZCWDYHS-IRXDYDNUSA-N 445.447 1.107 0 40 IDAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H](C)O)CC3=O)cc2)cc1 408614855 IWUAOKOOIJMUKS-IRXDYDNUSA-N 425.485 1.862 0 40 IDAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)N[C@@H](C)c2ccccc2)CC1=O 408654163 JXPHJDJQRZWXLC-RDJZCZTQSA-N 439.468 1.609 0 40 IDAB COC1(C)CCN(C(=O)[C@@H]2C[C@]3(CO2)CN(Cc2ncc(C(F)(F)F)[nH]2)CCO3)CC1 585102206 PGWURQSYVBOBRT-IFXJQAMLSA-N 446.470 1.816 0 40 IDAB Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 585323046 VNTVDNUZAFPHGA-UHFFFAOYSA-N 425.410 1.166 0 40 IDAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 6237869 UMYRZFUHCXVESU-OXRZLYTFSA-N 438.461 1.927 0 40 IDAB Cc1ccccc1OC[C@@H](O)Cn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C 7425576 FXRRITUYFQVAIR-INIZCTEOSA-N 427.505 1.408 0 40 IDAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1=O 9170296 PGIXXDNMKDFCFK-KRWDZBQOSA-N 428.898 1.490 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@@]3(CCOc4ccccc43)C1=O)OCO2 9245603 QZNYQSWXGVDZAB-JOCHJYFZSA-N 437.408 1.786 0 40 IDAB O=C(NCCc1ccco1)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 9747268 QDFARVZDFFMMNK-OAHLLOKOSA-N 439.559 1.750 0 40 IDAB COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4cccc(OC)c4)c(C)c(C)n23)n(C)c1=O 9829477 JBRFTNVHVHKQNW-ZDUSSCGKSA-N 425.445 1.498 0 40 IDAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 9908574 NZBRKSAMGIMKSG-VBKZILBWSA-N 433.486 1.707 0 40 IDAB CCn1cc([C@@H]2C[C@H](C(=O)NCc3ccc(Cl)cc3)N(C)S(=O)(=O)N2)c(C)n1 12130643 MDFQXZLODDQNBA-DLBZAZTESA-N 425.942 1.761 0 40 IDAB C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](C)O1 12521239 BFGXWDGSPYATPS-BETUJISGSA-N 430.486 1.906 0 40 IDAB C[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 15623821 WVSPWMWPUAORGY-QJPTWQEYSA-N 445.497 1.157 0 40 IDAB CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 15955347 BTUGPQDIGOMNHI-MPBGBICISA-N 430.457 1.392 0 40 IDAB biogenic CCCCCC(=O)C(CCCC)(C1=Nc2nnc(N)n2C1=O)C1=Nc2nnc(N)n2C1=O 16942802 RTTDEVCVAKPFPO-UHFFFAOYSA-N 440.468 1.513 0 40 IDAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1cnn(C)c1C 17094814 SXJKHXXQZPRYFG-WBNHJWIASA-N 426.473 1.589 0 40 IDAB Cc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(S(C)(=O)=O)CC2 19237089 IPOPYSKNZISOBM-LJQANCHMSA-N 444.557 1.692 0 40 IDAB O=C(c1cnccn1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C1 19347670 UEQXEZANSQGAGN-CQSZACIVSA-N 448.458 1.527 0 40 IDAB COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCN4CCOCC4)C3)c2N)cc1 19558772 WTUXDSHDXHJYEW-INIZCTEOSA-N 427.505 1.217 0 40 IDAB Cc1ncc(C(=O)N2CCO[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)c(C)n1 19762863 IFUSAOLZWLHXFA-QFIPXVFZSA-N 449.511 1.920 0 40 IDAB Cc1nc(C2CCN(CC(=O)Nc3nccs3)CC2)ncc1C(=O)N1CCOCC1 19766495 MGKQHEKKVSCPAX-UHFFFAOYSA-N 430.534 1.532 0 40 IDAB COc1cc2ncn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c2cc1OC 20718614 WQABSDFTVSBVLN-UHFFFAOYSA-N 426.448 1.902 0 40 IDAB O=C(NCCN1CCN(C(=O)COc2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 20891201 STVSEPIJLAJTHP-UHFFFAOYSA-N 429.448 1.507 0 40 IDAB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2F)c2ccc3c(c2)OCO3)CC1 22851283 MKBACFMYQLCLDS-IBGZPJMESA-N 442.491 1.276 0 40 IDAB O=C(c1cccc(N2CCCC2=O)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23702054 UOWYFAMWIRHAIL-UHFFFAOYSA-N 437.525 1.841 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 29333808 GDAHSXPAUOTSDX-UHFFFAOYSA-N 446.529 1.821 0 40 IDAB O=C(c1cc2c(s1)CCCC2)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 32704777 XFOZGFKEHLHKFE-UHFFFAOYSA-N 446.554 1.943 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)C1 34913522 SLRRFABZUSIOOD-JFIYKMOQSA-N 438.546 1.900 0 40 IDAB CC(C)C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCCO2 36366518 RBRTWTPEPVAFHB-CABCVRRESA-N 425.507 1.297 0 40 IDAB Cc1ccc(-c2cnc(CCC(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1C 40094542 XIRLDJDDSFXUCF-KRWDZBQOSA-N 433.530 1.701 0 40 IDAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 58176585 OTVMSQMDUTXZNG-UHFFFAOYSA-N 444.557 1.937 0 40 IDAB CC(=O)Cn1c(Br)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C 64870370 NDDDMFKEMOIJQC-UHFFFAOYSA-N 425.670 1.950 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 67286962 TVTOSGSIPMGMDU-LJQANCHMSA-N 432.546 1.744 0 40 IDAB Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)n1 69950440 SPDACXCLQHYZKC-AWEZNQCLSA-N 430.486 1.760 0 40 IDAB CCOC(=O)N1CCN(c2ncc(Cl)c(N3CCN(C(=O)OCC)CC3)n2)CC1 78998624 ZIBSMKFXWDJQGO-UHFFFAOYSA-N 426.905 1.687 0 40 IDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCc3nc4ccccc4[nH]3)C2=O)cc1 96232380 UJJLCZHEZBALAC-IBGZPJMESA-N 435.484 1.783 0 40 IDAB CN1CCN(CCCNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3cccnc3N2)CC1 100208220 OBGJYBUURDAWIC-DQHAIFDPSA-N 440.592 1.513 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc(O)c4c(n3)CN(C(=O)C3CC3)CC4)C2)CC1 257201624 AIIWSAXHZNLGBY-BRWVUGGUSA-N 428.533 1.998 0 40 IDAB COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(C2)CN(C2Cc4ccccc4C2)C3)c1 514289482 MCNIPAARHMAPAD-LOSJGSFVSA-N 447.579 1.946 0 40 IDAB biogenic,in-vitro COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524729053 ARKAUXOWBLLZPQ-GOSISDBHSA-N 430.457 1.323 0 40 IDAB biogenic Cc1nnc(CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)s1 540946953 HRUHLAKYZFBERP-UHFFFAOYSA-N 429.911 1.295 0 40 IDAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)n2)n1 605530187 ORPJBIVJCVZDLG-MRXNPFEDSA-N 446.939 1.200 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(F)cc4F)C[C@@H]23)n1 1549161292 GJZJSOCJRMGIHY-MRXNPFEDSA-N 430.415 1.991 0 40 IDAB O=S(=O)(NCCNS(=O)(=O)c1cnnn1-c1ccccc1)c1ccc(Cl)s1 1561400774 OOZGFCQHVPQXLN-UHFFFAOYSA-N 447.951 1.239 0 40 IDAB CC(=O)c1cc(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NCC5CC5)n4CC3)C2)n[nH]1 2055793321 OPPUWLNSWBJTFC-OAQYLSRUSA-N 425.493 1.212 0 40 IDAB CCNC(=S)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 891218 CJXOABXWNYATJX-UHFFFAOYSA-N 432.546 1.328 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2)n(C)c1=O 6089408 XVFGVZSBFOZMHA-GFCCVEGCSA-N 431.880 1.901 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 8666643 MFOMRYYHQRAALX-HNNXBMFYSA-N 446.529 1.787 0 40 IDAB CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2cccc(F)c2)c(=O)c3=O)cc1 8849400 LLWBEYIXGLUXKH-UHFFFAOYSA-N 425.420 1.733 0 40 IDAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)NCCc1c[nH]c2ccccc12 9672689 PREAZJNQAQYTBX-HSZRJFAPSA-N 448.523 1.953 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCCc2ccccc2)cc1 9806782 IWOLCQNVANOYHF-GOSISDBHSA-N 445.541 1.323 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(OC)c(Cl)c2)n(C)c1=O 10102801 FIJYPPCPPYSFEY-UHFFFAOYSA-N 433.852 1.274 0 40 IDAB CN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)CN2CCC(C(N)=O)CC2)c2ccccc21 10157789 UUFXNVHCSGLHKH-DEOSSOPVSA-N 434.496 1.577 0 40 IDAB CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 10274108 VBMGCJNNWBLZKE-CQSZACIVSA-N 435.912 1.975 0 40 IDAB COc1cc(C(=O)NCCn2ncc3c(N4CCOCC4)ncnc32)cc(OC)c1OC 11665977 OTCIINCWBFSDAJ-UHFFFAOYSA-N 442.476 1.119 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)C1 12538217 RLDXDUBNUMJNCA-MRXNPFEDSA-N 437.562 1.952 0 40 IDAB CC(C)CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc2ccccc2s1 12578980 WEVSFWRLUWYOAW-UHFFFAOYSA-N 426.502 1.733 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccs2)NC(=O)N[C@@H]1c1ccc(C)o1 12751231 PHABMQBCEAATMK-QGZVFWFLSA-N 447.469 1.794 0 40 IDAB O=C(CN1C(=O)CCOc2ccccc21)N1CCN(S(=O)(=O)c2cccs2)CC1 12817548 SEHBOCTXSKLGJN-UHFFFAOYSA-N 435.527 1.397 0 40 IDAB C[C@H](OC(=O)c1ccccc1CN1C(=O)CNC1=O)C(=O)Nc1sccc1C(N)=O 12903718 GQSPBACBACJJDT-JTQLQIEISA-N 430.442 1.083 0 40 IDAB Cc1ccc2c(c1)[C@@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15959801 ZELGVVJNMXXSOY-ZHBILRMLSA-N 446.507 1.224 0 40 IDAB biogenic COc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1NC(C)=O 17333568 MWNHUMXYVDXWBS-UHFFFAOYSA-N 433.530 1.964 0 40 IDAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 19580556 WZQJORJTQNILHJ-SQJMNOBHSA-N 435.524 1.861 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)Cc3ccc(OC)cc3)C1)C2=O 19700810 JRPMJHQDJQVMRC-GOSISDBHSA-N 428.533 1.635 0 40 IDAB COc1ccccc1N1CCN(C(=O)C(=O)NCCNC(=O)c2cc3ccccc3[nH]2)CC1 20729810 FXPLQTANPFNQFL-UHFFFAOYSA-N 449.511 1.371 0 40 IDAB O=C1C(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)N1Cc1ccccc1 25765631 ULAKZIZFEFRZPF-UHFFFAOYSA-N 448.526 1.003 0 40 IDAB COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)c1 32087480 XPYGYRMNQNLDSY-KRWDZBQOSA-N 433.486 1.222 0 40 IDAB C[C@@H](C(=O)O[C@H](C)C(=O)N1CCNC1=O)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 32774427 URNYFTCXXJCVHM-JGVFFNPUSA-N 428.228 1.461 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC2CCN(C(=O)C3CC3)CC2)C(C)C)c1 32908684 MFUJTZXKVGUHNE-HXUWFJFHSA-N 431.533 1.975 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(Cn3c(=S)oc4ccccc43)CC2)C[C@H](C)O1 36823748 UDAQHNKEPMDNOH-GJZGRUSLSA-N 426.564 1.893 0 40 IDAB C[C@@H]1CN(S(=O)(=O)CCNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@@H](C)O1 40153289 LOECRDYILAHGBB-HUUCEWRRSA-N 436.534 1.377 0 40 IDAB COc1ccc(NC(=O)Cn2nc3c(N4CCC[C@H](C)C4)nccn3c2=O)c(OC)c1 71328209 DZEQVLQPVBYHCK-AWEZNQCLSA-N 426.477 1.783 0 40 IDAB COc1ccc([C@H](CNC(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)N(C)C)cc1 95996385 HMFVWVVXOFSTFP-NRFANRHFSA-N 440.548 1.902 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)cc1 108200652 HEOBQFVFCNEKMX-KDURUIRLSA-N 445.541 1.169 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1 220214931 WSWULSCSBHVFIJ-AWEZNQCLSA-N 442.534 1.660 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1OC 224645170 VEETUURSRCIKIG-UHFFFAOYSA-N 448.497 1.887 0 40 IDAB COc1ncccc1CN1CC[C@@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 306134701 NVMOJHGWZYUXJS-OAQYLSRUSA-N 425.514 1.466 0 40 IDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(I)c3)C(=O)[C@@H]12 409277501 AQRCUTRPJFKMNR-UMPJEAMMSA-N 439.205 1.667 0 40 IDAB COC(=O)c1cccc(C(=O)N2CC3(CN(Cc4ccccc4)C[C@H]4C[C@@H](O)CN43)C2)c1 514288453 AGMFNGGUXOBIJE-FGZHOGPDSA-N 435.524 1.619 0 40 IDAB biogenic,in-vitro O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(N3CCOCC3)ncn2)CC1 523451717 PCZNKNRIOXNDBC-UHFFFAOYSA-N 436.516 1.122 0 40 IDAB Cn1c(C(F)(F)F)nn(C2CCN(S(=O)(=O)Cc3noc4ccccc34)CC2)c1=O 575616653 WCNFMWHQIYRTIW-UHFFFAOYSA-N 445.423 1.909 0 40 IDAB CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 588701867 KPTJMUGDVPJTOK-IBGZPJMESA-N 436.578 1.175 0 40 IDAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)NC1CCN(C)CC1)C2 643576363 ZAJMCGNSRCSZAA-UHFFFAOYSA-N 446.592 1.777 0 40 IDAB Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(Br)cc1 9243261 DCFAZHVAPBACNP-UHFFFAOYSA-N 446.305 1.900 0 40 IDAB C[C@@]1(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCS(=O)(=O)C1 9579090 QIMQUQISAORWQM-XWGMLZDCSA-N 426.560 1.393 0 40 IDAB COc1ccccc1CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9710852 NVYJLWKWOMVLTI-UHFFFAOYSA-N 425.532 1.777 0 40 IDAB CCOC(=O)N1CCC(NC(=O)Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)CC1 12422965 ILUDMNFJLURDFS-UHFFFAOYSA-N 433.490 1.363 0 40 IDAB Cn1c(CCC(=O)NC2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12548100 QMQLBDVWZAJUOZ-UHFFFAOYSA-N 434.562 1.976 0 40 IDAB C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)Cc2ccccc2C(=O)O1 12936492 WPYSUOXFLRLPSM-NRFANRHFSA-N 432.473 1.830 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccccc2-n2cnnn2)c(=O)[nH]c1=O 12942391 UKXDMSJFBRHXMQ-UHFFFAOYSA-N 426.481 1.197 0 40 IDAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccc(F)c(F)c1F 13057633 RJUJVONPUDWZPM-SNVBAGLBSA-N 444.435 1.649 0 40 IDAB O=C1C[C@H](n2nnn(-c3ccc(I)cc3)c2=S)[C@H]2CO[C@@H]1O2 15277566 LCVSILRPOGQDCS-MVWJERBFSA-N 430.227 1.658 0 40 IDAB Cc1nccn1CC1(O)CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 19287906 ZXGQTLWNSUVRRH-UHFFFAOYSA-N 432.546 1.789 0 40 IDAB CCCn1ncc(C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CC3)C4)C2)c1C 19525857 UPTKCRQGXRVQHQ-INIZCTEOSA-N 438.532 1.609 0 40 IDAB O=C(NCC(=O)N1CCN(Cc2ccsc2)CC1)c1ccc(N2CCCC2=O)cc1 21414713 KYEJLYYTHPTABZ-UHFFFAOYSA-N 426.542 1.949 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1cc(Cl)ccc1-n1cncn1 22356862 OSYVKFSTEASIRC-UHFFFAOYSA-N 431.928 1.099 0 40 IDAB COc1cc2nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)[nH]c(=O)c2cc1OC 22927399 HIVHEUJQPQEYGT-UHFFFAOYSA-N 438.484 1.987 0 40 IDAB COc1ccc(CN2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3OC)CC2)cc1F 24638765 DQMWVZGFAJWYGS-UHFFFAOYSA-N 437.493 1.448 0 40 IDAB CCOC(=O)[C@@H]1CSCCN1C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 33016191 MEBJLBHZODOIDA-HTAPYJJXSA-N 445.541 1.883 0 40 IDAB COc1ccc(OCCN2CC(=O)N(c3ccc(OC)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 36592923 MSRXSRSKVDILFW-NHCUHLMSSA-N 446.525 1.597 0 40 IDAB C[C@@H]1CN(c2ccc(CNC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cn2)CCO1 40112426 VPSSHKOBJPMNIM-MRXNPFEDSA-N 429.521 1.520 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)c2ccc3c(c2)NC(=O)CS3)c(=O)[nH]c1=O 40160139 JBHOZSZRFPTCBO-UHFFFAOYSA-N 447.517 1.256 0 40 IDAB CCOCc1nn2c(=O)cc(COC(=O)CN3C(=O)c4ccccc4C3=O)nc2s1 41077293 ZXYJILMXSQSRLC-UHFFFAOYSA-N 428.426 1.027 0 40 IDAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c1CCO 67301030 DDMVOECEVSXPNT-UHFFFAOYSA-N 439.443 1.938 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(C(=O)N3CCc4ncc(Cl)cc4C3)cc2)CC1 72341208 UVXPYYNHODEJAV-UHFFFAOYSA-N 434.949 1.870 0 40 IDAB CN1CCN(C(=O)Cn2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)n2)CC1 89382582 MXUJLWWZOJGOSE-UHFFFAOYSA-N 425.411 1.693 0 40 IDAB O=C(COc1ccc(-n2cccn2)nn1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 90607721 JQOLEAQQJCRILA-UHFFFAOYSA-N 449.519 1.170 0 40 IDAB CCOC(=O)C1=NO[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12 100923505 XEXNGJCOOMWSDJ-KOLCDFICSA-N 434.758 1.469 0 40 IDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 101012155 KLRWODOACYEKKV-KOLCDFICSA-N 442.169 1.065 0 40 IDAB CC(=O)C(Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)C(C)=O 101403374 JFIZXWHPPRAYAD-UHFFFAOYSA-N 425.488 1.396 0 40 IDAB Cc1ccc(-c2noc(CNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1 219992406 VFDYVEBYJSQZFD-UHFFFAOYSA-N 442.497 1.996 0 40 IDAB O=S(=O)(c1ccc(Br)cc1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238811714 ALVKIWSGJJLDND-UHFFFAOYSA-N 449.352 1.258 0 40 IDAB NC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCCN3CCCC3=O)c2)C1 257224151 FANHIIYRSOPZQF-XMMPIXPASA-N 436.512 1.742 0 40 IDAB CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)N(C)C)c1 257311639 UKJZXGAIMNNKHK-INIZCTEOSA-N 437.497 1.526 0 40 IDAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 257318638 VOUYSYLGQUMLFQ-FPOVZHCZSA-N 437.562 1.416 0 40 IDAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2nnc(C)s2)C3=O)no1 408687922 PPVDHVYCKYHOAV-UHFFFAOYSA-N 427.398 1.739 0 40 IDAB Cc1ccccc1OC1CCN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1 585290214 OQQSHQIRAHYIJK-PKTZIBPZSA-N 446.569 1.635 0 40 IDAB O=c1ccc(-n2cncn2)nn1CC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 585500896 RPROCHYIDHBNMQ-UHFFFAOYSA-N 446.397 1.197 0 40 IDAB O=C(Nc1n[nH]c2nc(O)ccc12)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 646311423 XNESKVMWTQMQJK-UHFFFAOYSA-N 441.513 2.192 0 40 IDAB CCOc1ccc(Cc2cc([C@@]3(OC)O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2Cl)cc1 1084263929 GKTWLVVOULBRDU-BIRZXAFVSA-N 438.904 1.603 0 40 IDAB in-vitro CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CO1 1153326772 PDYBHGDQSGHXHH-XUVXKRRUSA-N 439.597 1.426 0 40 IDAB CN(C)CCNC(=O)[C@@H]1CCC(=O)N(C)CCCCCCOc2ccccc2C(=O)N1 1615159423 NIHPZNKAHZMEMN-IBGZPJMESA-N 432.565 1.654 0 40 IDAB Cc1ncn(CC(=O)N2CCC[C@@H](COc3ncc(Br)cn3)C2)c(=O)c1C 1775996110 VKRGUTDBQZLENB-CQSZACIVSA-N 436.310 1.730 0 40 IDAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 1325685 ITJCDMHXRPAMIZ-OAHLLOKOSA-N 438.527 1.588 0 40 IDAB CN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O 3336298 NJDKKMOOSDHJKV-UHFFFAOYSA-N 448.497 1.229 0 40 IDAB COC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 6190474 XMBXIWSRAICXIP-QZTJIDSGSA-N 449.548 1.943 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)NC(=O)Nc1ccc2c(c1)OCO2 8776232 MQCBDKHTFXMCIM-HXUWFJFHSA-N 442.453 1.909 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 8882792 PHEZZLSUTANOJQ-UHFFFAOYSA-N 437.827 1.527 0 40 IDAB O=C(CSc1cccc[n+]1[O-])N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9128998 WQYQSRJPVOLQLI-UHFFFAOYSA-N 427.935 1.599 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2n[nH]c(=O)c3ccccc23)cc1 9709001 SQEHVYMHRASKGO-IBGZPJMESA-N 426.498 1.701 0 40 IDAB Cn1nc(CC(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc2c1=O 9739038 RMSAUVFCMXWNNU-OAQYLSRUSA-N 448.479 1.129 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C4CC4)CC3)CC2)cc1 9767799 XMMOUICWJHFGGG-UHFFFAOYSA-N 449.573 1.567 0 40 IDAB Cc1cn2c3c(=O)n(CC(=O)OCc4ccccc4)c(=O)n(C)c3nc2n1Cc1ccco1 9829459 WCCNEPUTLZRVEV-UHFFFAOYSA-N 447.451 1.843 0 40 IDAB COc1ccccc1CNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 10228443 CJKRTPXBMQZYBH-UHFFFAOYSA-N 435.521 1.847 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1 11835014 FIHDSHXNSQSROH-UHFFFAOYSA-N 434.499 1.885 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)N1C[C@@H](C)O[C@H](C)C1)c(=O)n2Cc1ccccc1 12532380 URWZBKXAXAMGTG-HZPDHXFCSA-N 425.489 1.064 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3cnc4ccsc4c3=O)CC2)c1 12748918 ZLSOALLNSPYOCA-UHFFFAOYSA-N 446.554 1.608 0 40 IDAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 13113355 MHLKNUSRVFPFDW-UHFFFAOYSA-N 431.562 1.850 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ncnc5c4nnn5C)CC3)CC2=O)cc1C 13532870 XNSMCWXIUHYQQD-MRXNPFEDSA-N 434.504 1.077 0 40 IDAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)cc2OC)c1=O 13992277 DQRDAYUJPKNGOA-UHFFFAOYSA-N 427.457 1.856 0 40 IDAB CC(=O)N1CCN(C(=O)CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 14231354 YTDREIUDXLRLLV-IBGZPJMESA-N 429.517 1.982 0 40 IDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C 16692295 OFWKBYPEMRZXRG-UHFFFAOYSA-N 441.531 1.300 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 18217418 CZLBPTVADCKJOX-UHFFFAOYSA-N 431.558 1.764 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@@H](C)N3CCCC3)CC1)C2=O 19699378 GCQMXYNIMBGZJO-QGZVFWFLSA-N 447.580 1.031 0 40 IDAB CNc1nc(C2CCNCC2)nc2c1CN(S(=O)(=O)c1cc(F)ccc1OC)CC2 19711392 HJKPSPWEKAOIDF-UHFFFAOYSA-N 435.525 1.880 0 40 IDAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCCN1CCOCC1 19943121 WTMJCZXOLYIDGX-UHFFFAOYSA-N 435.521 1.860 0 40 IDAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21 20214957 AKPJKMJKNPCDJH-UHFFFAOYSA-N 432.502 1.583 0 40 IDAB COc1ccc(-n2c(=O)c([C@H]3NCCc4cc(OC)c(OC)cc43)c(O)n(C)c2=O)cc1 20757657 LEIRNUNADBUYOW-FQEVSTJZSA-N 439.468 1.503 0 40 IDAB biogenic COc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 31772974 KTNFGOLMSSDANC-QGZVFWFLSA-N 445.540 1.457 0 40 IDAB COC(=O)CCN1CCN(C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)CC1 48265059 UCVKIFSQQMIRIA-UHFFFAOYSA-N 432.546 1.814 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H](C)NS(=O)(=O)c2ccc(OC)c(C)c2)cc1C 54363293 SWKAOGUPKYXOQQ-HNNXBMFYSA-N 442.559 1.966 0 40 IDAB O=C(NCc1cccc(OCC(F)(F)F)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 58951937 UVXUFBPQEUGLJB-ZDUSSCGKSA-N 447.435 1.409 0 40 IDAB O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NC[C@H]1COCCO1 72327686 DTWHLEULIXIYGH-BTYIYWSLSA-N 436.892 1.588 0 40 IDAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c1 79017678 SNJJIYTYSORPEH-PSKZRQQASA-N 436.490 1.576 0 40 IDAB COC(=O)N1CCc2nn(CC(=O)c3ccc(NC(C)=O)c(SC)c3)c(=O)cc2C1 84796827 LNUWFIFHHCZRSE-UHFFFAOYSA-N 430.486 1.931 0 40 IDAB O=C(COc1ccccc1)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 97111772 SCWDCSYTEGAROB-NRFANRHFSA-N 447.495 1.913 0 40 IDAB COCCNc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1C(=O)O 217623160 RJOPJQCFFDZZFE-UHFFFAOYSA-N 438.502 1.981 0 40 IDAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 219269351 DCUHWMKAPUBELF-AWEZNQCLSA-N 441.941 1.867 0 40 IDAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCCN3CCOCC3)s2)c1 223478741 BDBIZSQUFHMBCW-UHFFFAOYSA-N 425.536 1.099 0 40 IDAB COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3OC(F)(F)F)[C@@H](O)[C@H]2O1 225515241 BCBJHPGOMDWOFD-ZLJHSHKTSA-N 448.438 1.113 0 40 IDAB biogenic,in-vitro Cc1cn([C@@H]2CN(C(=O)CCCn3c(C)nc4ccccc43)CC[C@@]2(C)O)c(O)nc1=O 257279965 OIXQVBAWRBRHHR-AUSIDOKSSA-N 439.516 1.920 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C(N)=O)CC3)C2)cc1C 408558944 KPGPFOLNQNWASU-QGZVFWFLSA-N 437.562 1.518 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cncc(-n4ccnn4)c3)C2)cc1 555009770 ZNIXHXHDFWLEAD-KRWDZBQOSA-N 440.529 1.801 0 40 IDAB CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1=O 643556533 MQSLZKZJSRLLIU-HSZRJFAPSA-N 426.517 1.895 0 40 IDAB Cc1cnn(CC(=O)N2CCO[C@]3(CCCCc4ccccc4OCCNC3=O)C2)c1 643557354 VFTFUQFNHVRJSF-HSZRJFAPSA-N 426.517 1.711 0 40 IDAB Cc1ccc(NC(=O)C(=O)NCC2(OCCO)CCSCC2)cc1N1CCCC1=O 828765390 MDTMPIUVANYORO-UHFFFAOYSA-N 435.546 1.451 0 40 IDAB Nc1nc(O)c2c(CCc3ccc(C(=O)N[C](CCC(=O)O)C(=O)O)cc3)c[nH]c2n1 1560410095 DIMDMILRBWDRKD-UHFFFAOYSA-N 426.409 1.242 0 40 IDAB Cc1ncn(CC(=O)N2CCC[C@H](COc3ncc(Br)cn3)C2)c(=O)c1C 1775996109 VKRGUTDBQZLENB-AWEZNQCLSA-N 436.310 1.730 0 40 IDAB O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCc1ccccc1 3237631 XTIIXJRQNUXGLO-UHFFFAOYSA-N 438.527 1.171 0 40 IDAB COc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)cc1 3374503 LNJZOQFUHHJLRU-INIZCTEOSA-N 435.527 1.395 0 40 IDAB O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 4684273 ZORDBMVWKMEZAC-ZWKOTPCHSA-N 428.441 1.958 0 40 IDAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cccc(OC)c3)c(=O)n12 8426459 ISQMATTYUBHJGP-SQWKQDNASA-N 436.489 1.868 0 40 IDAB Cc1cccc(Cn2c(=O)c3c(nc4n(CCOCCO)c(C)c(C)n34)n(C)c2=O)c1 8725036 PBUATJFVDLFSEA-UHFFFAOYSA-N 425.489 1.132 0 40 IDAB Cc1cccc2c1NC(=O)[C@@]21N[C@H](CCC(=O)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 8790768 HRLBJLBAUIJCAE-NRGSMNHXSA-N 447.491 1.823 0 40 IDAB biogenic O=C(NCC(=O)N1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9047270 OKQANVRDSRVVJW-OAHLLOKOSA-N 427.954 1.869 0 40 IDAB O=C(O)[C@H](CCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 9065037 QVQQYVHBVKGSMN-VAUCNFGQSA-N 438.480 1.224 0 40 IDAB O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1 9126205 XXDQXQFUXQXIGE-UHFFFAOYSA-N 449.334 1.936 0 40 IDAB CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O 9170895 UVELKMNWTXVIMC-ZCPGHIKRSA-N 434.493 1.154 0 40 IDAB biogenic Nc1nc(CSc2nnc([C@H]3CCS(=O)(=O)C3)o2)nc(Nc2ccc(F)cc2)n1 10027000 BQHFFSUIDMYRTK-VIFPVBQESA-N 437.482 1.914 0 40 IDAB COc1ccc(Cl)cc1NCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 10108893 NNCBONNRTOLQKR-GFCCVEGCSA-N 445.911 1.965 0 40 IDAB CNC(=O)NC(=O)[C@@H](OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 10759245 FGSJQBIFYRMZQY-PCMMCCAGSA-N 430.461 1.227 0 40 IDAB CCOCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 12231900 COWXSLXJFGHHJB-UHFFFAOYSA-N 440.479 1.923 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cn2ncn(C3CC3)c2=S)CC1 12884471 ATQPRCFUUUHGNI-UHFFFAOYSA-N 437.547 1.484 0 40 IDAB CN1C(=O)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2OCc2ccccc2)C1=O 13726900 JSFOKNRAFPWICK-UHFFFAOYSA-N 445.497 1.685 0 40 IDAB CCCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1 13847815 ASXXANYZEIBNQG-UHFFFAOYSA-N 429.506 1.374 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C 18099485 DNEMLVFTYUVKEE-UHFFFAOYSA-N 443.529 1.708 0 40 IDAB C[C@@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 21618728 WTLVSNYPAZDUKH-ZCFIWIBFSA-N 429.289 1.379 0 40 IDAB COc1cc(CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc(OC)c1OC 25380350 DVEDEVNIRQGIQP-UHFFFAOYSA-N 442.424 1.663 0 40 IDAB Cc1cc(NC(=O)CCC(=O)N2CCc3sccc3C2)n([C@H]2CCS(=O)(=O)C2)n1 40156701 BWGACEZHYVLQCI-HNNXBMFYSA-N 436.559 1.916 0 40 IDAB O=C(COc1coc(CN2CCSCC2)cc1=O)N1CCN(c2ccccc2)CC1 44890597 OCLKOIYVZJNJRD-UHFFFAOYSA-N 429.542 1.916 0 40 IDAB C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)NC(C)(C)C 48312585 MGKXEZYRWXQTQG-SECBINFHSA-N 441.369 1.434 0 40 IDAB CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(C(=O)Cc1cccc(OC)c1)CC2 96143664 ONKDAGXJPATVRZ-VQTJNVASSA-N 442.560 1.691 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)N(C)C 106901419 PISDWBGGTACVOA-IIDMSEBBSA-N 425.551 1.327 0 40 IDAB O=C1N[C@H]2OCCC[C@H]2[C@H](C2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)N1 257249170 JHCYCZCSDVTAFT-LRQRDZAKSA-N 425.489 1.138 0 40 IDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccccc5S(C)(=O)=O)C[C@H]4C3)nn12 1888906552 NNMREXKXXRVORG-GASCZTMLSA-N 426.502 1.045 0 40 IDAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1 2134550 JESAKGFQNKXLOS-JCSQCDBKSA-N 434.489 1.835 0 40 IDAB biogenic NS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)cc1 3335458 NFYXSNSRIOLPHU-UHFFFAOYSA-N 437.421 1.427 0 40 IDAB O=C(NCCCN1CCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 8661362 KJRJVIDJXPLSMC-UHFFFAOYSA-N 446.573 1.918 0 40 IDAB CN(C(=O)CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 9302785 LZYBUUPWGWSNGK-QTNMRXCUSA-N 426.491 1.898 0 40 IDAB NC(=O)Cn1c(CSc2nnc(-c3ccc4c(c3)OCO4)o2)nc2ccccc2c1=O 9336658 MPFYDFBEEGHBEN-UHFFFAOYSA-N 437.437 1.953 0 40 IDAB CCCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 9585150 UZEFBNYGNGWMQU-HTAPYJJXSA-N 447.557 1.586 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cn2nnn(-c3cccs3)c2=O)CC1 9596497 UOFMDUVSEYMFET-UHFFFAOYSA-N 428.474 1.527 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(CCN4CCOCC4)CC3)C2=O)cc1 9933876 CFRCRZRCYHKJSS-OAQYLSRUSA-N 443.544 1.930 0 40 IDAB CCSc1nnc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)s1 11758061 JQYVNNGOFHFYQT-UHFFFAOYSA-N 439.548 1.030 0 40 IDAB Cc1nc(SCC(=O)Nc2c(C)nn(C)c2C)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 12760345 UDERZQRHECZDFI-UHFFFAOYSA-N 445.549 1.536 0 40 IDAB O=C(CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 13503324 QUFJBDRINPHSQO-LJQANCHMSA-N 445.541 1.289 0 40 IDAB Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](CO)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15968284 LPHFXVHCLFLXOK-ZHSNQQFMSA-N 439.899 1.604 0 40 IDAB biogenic COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4ccc(=O)[nH]n4)CCNC3=O)cc2)cc1 19558321 GCEQOYBPLYABSX-LJQANCHMSA-N 432.480 1.876 0 40 IDAB CN(C(=O)CN1C[C@H](c2ccc(F)cc2)[C@@H](c2csnn2)C1)[C@H]1CCS(=O)(=O)C1 19585867 NFNSXLOYGGXUCH-BBWFWOEESA-N 438.550 1.506 0 40 IDAB O=C(NC1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 24926795 MYAWCDJANAEZHR-UHFFFAOYSA-N 433.505 1.915 0 40 IDAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccco1 35379962 RPWLZPVBEJNNCT-INIZCTEOSA-N 449.529 1.625 0 40 IDAB CN(CC(=O)N1CSC[C@@H]1C(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 40089954 GCYWWZFKSKEUSI-MRXNPFEDSA-N 445.994 1.875 0 40 IDAB C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)CC(=O)N2 40389086 PIVBBLYKAAIPIM-OCCSQVGLSA-N 439.472 1.984 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)Nc2ccccc2F)CC1 56938794 GFUIKEAOSHCDBW-KRWDZBQOSA-N 449.552 1.759 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 59369051 BGKNGCXYZQXVHQ-UHFFFAOYSA-N 440.499 1.169 0 40 IDAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)N(C)C)cc1 61721084 JGKJBXKPKNJEKL-LJQANCHMSA-N 425.489 1.243 0 40 IDAB CN(C)C(=O)N1CCN(c2ccc3ccc(C(=O)N4CCC(N(C)C)CC4)cn23)CC1 96156048 LFVPRYLYHTXFQB-UHFFFAOYSA-N 426.565 1.909 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2ccc(C)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 102860763 QHNUAZWNAPSBQV-SSSFQFABSA-N 437.445 1.030 0 40 IDAB COc1ccc(/C=C(\C(=O)NCCCN2CCOCC2)n2ccccc2=O)cc1OC 199400970 KWEUYRWQTZFVPJ-KNTRCKAVSA-N 427.501 1.702 0 40 IDAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-n2cnnc2)c1C 223643964 PDDVYKKRNMYARF-RBUKOAKNSA-N 425.518 1.938 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(C)(=O)=O 225423124 JPHGXKRHFABYBJ-AWEZNQCLSA-N 439.484 1.894 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@@H]2[C@@H](C(=O)NCc3cccs3)[C@H]3C=C[C@]21O3 245229796 FVPQTNDTWVLOFT-YILQHCAESA-N 429.542 1.592 0 40 IDAB COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2S(=O)(=O)N(C)C)nc1C 257208732 BNKNGXOSFWISEA-KRWDZBQOSA-N 433.534 1.667 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCOCC2)C1 408713589 IUIACIXQGXKIQY-INIZCTEOSA-N 443.541 1.074 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)c1 1630032282 ZJHDSZSIRRUEGS-GOSISDBHSA-N 444.513 1.257 0 40 IDAB CC(=O)OC[C@H]1O[C@H](Oc2ccc(C)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2049240995 OBNBHYQEYRONSE-TXVWBRJLSA-N 438.429 1.457 0 40 IDAB biogenic COc1ccc(-n2c(O)c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c(=O)[nH]c2=O)cc1 2145026 LZEPRXPUFTYHSP-INIZCTEOSA-N 426.381 1.517 0 40 IDAB biogenic CCOc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1cccc(C(C)=O)c1)CN=3)C(=O)N2 2250862 WLTPNVMZSHJTAF-VXPUYCOJSA-N 448.504 1.717 0 40 IDAB Cc1cc(C)n2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)nc2n1 3383677 KFKXOJIFEGFNBI-UHFFFAOYSA-N 446.558 1.366 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 8987575 RDGBTQAQAUSXRO-UHFFFAOYSA-N 435.933 1.993 0 40 IDAB COc1cc(C2=NC3=NC(C)=C(C(N)=O)[C@H](c4cccc(O)c4)N3N2)cc(OC)c1OC 9637913 LLBQJWLYMCTRBB-SFHVURJKSA-N 437.456 1.855 0 40 IDAB O=C(NCCCN1CCCCCC1=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12849446 PTFSPFFNSHJTMX-KRWDZBQOSA-N 446.573 1.756 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 13002650 ZFNAEJBTBZQLIL-GOSISDBHSA-N 444.513 1.347 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)N1CCCCCC1 13228021 BSNYIVAHCBHJPL-UHFFFAOYSA-N 426.452 1.531 0 40 IDAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 13692240 GEUADDACMQBGLF-GPANFISMSA-N 444.575 1.083 0 40 IDAB C[C@H](OC(=O)CCN1C(=O)COc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 14247087 IJRFEJKOBHOVKQ-AWEZNQCLSA-N 426.425 1.779 0 40 IDAB Cc1nn(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 19632483 XKMKVMSTIQFVFS-UHFFFAOYSA-N 440.591 1.721 0 40 IDAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3c[nH]cn3)CC1)C2=O 19699425 ZLQLVMVSJAAYFF-UHFFFAOYSA-N 436.516 1.601 0 40 IDAB Cc1coc2cc3oc(=O)c(CC(=O)N(C)CC(=O)N4CCN(C)CC4)c(C)c3cc12 20650426 RHWXYEPTXAAJDM-UHFFFAOYSA-N 425.485 1.931 0 40 IDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 25248912 FMPYNESUOYKTRZ-UHFFFAOYSA-N 432.484 1.424 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 25802094 OVFCBCQOBIXZRU-CRAIPNDOSA-N 445.607 1.708 0 40 IDAB CC(=O)N[C@H]1[C@@H](Oc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1OCC(=O)O 35057613 DVENRNKFWMZEEL-GVECDWHLSA-N 443.452 1.879 0 40 IDAB Cn1nc(C(=O)N2CCOCC2)cc1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 36612418 VEVPGGLARMKPMX-UHFFFAOYSA-N 449.914 1.643 0 40 IDAB CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C[C@@H]1CCCO1 58229007 QISYGRNAFVJSOZ-AWEZNQCLSA-N 431.942 1.410 0 40 IDAB COc1cccc(CN(C)C(=O)[C@H]2CSCN2C(=O)c2c(C)c(C)nn(C)c2=O)c1 72296554 NFIRAPSOAPTQJN-QGZVFWFLSA-N 430.530 1.579 0 40 IDAB COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4c(c3)OCO4)CC1)NS2(=O)=O 72327972 HTUSSBCJQDIRAY-UHFFFAOYSA-N 431.470 1.760 0 40 IDAB COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)nc2ccc(Cl)cn2c1=O 96118103 FSORWFDDAMYZAQ-CYBMUJFWSA-N 442.859 1.939 0 40 IDAB CCN1CCN(CCNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 249694901 PUGIRCRHHJYSCK-KBVWPGPTSA-N 426.561 1.695 0 40 IDAB CC(=O)OC[C@]1(O)[C@H](OC(=O)c2ccccc2)C=C[C@@H](OC(=O)c2ccccc2)[C@H]1O 257478256 LVQXSADIPBMJHN-URFJDIBFSA-N 426.421 1.663 0 40 IDAB biogenic CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C(N)=O)CC3)C2)cc1C 408558942 KPGPFOLNQNWASU-KRWDZBQOSA-N 437.562 1.518 0 40 IDAB C1CC[C@H](N2CCOCC2)[C@@H](NCCOCCN[C@@H]2CCCC[C@@H]2N2CCOCC2)C1 566953417 LZAUUWNWCIYZHY-KIHHCIJBSA-N 438.657 1.469 0 40 IDAB O=S1(=O)C[C@@H](O)[C@H](N(c2cccc(O)c2)S(=O)(=O)c2ccc3ccccc3c2)C1 575420550 CNNCFKSPAONHOH-WOJBJXKFSA-N 433.507 1.899 0 40 IDAB O=C(Cn1cnc2ncccc2c1=O)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888897502 LBAGKYPXODKYCD-KBPBESRZSA-N 444.417 1.800 0 40 IDAB COc1ccc(-c2cc(=O)n(CC(=O)N3C[C@H]4CN(c5cnccn5)C[C@@H]4C3)cn2)cc1 1888928810 ASKKGFKELMPEOZ-QZTJIDSGSA-N 432.484 1.304 0 40 IDAB COC(=O)CN1C(=O)[C@@]2(C(C(=O)OC(C)C)=C(C)OC(N)=C2C(=O)OC)c2ccccc21 2194459 YGHNOPZKILMWSG-JOCHJYFZSA-N 444.440 1.043 0 40 IDAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2cccnc2)CS(=O)(=O)C3)cc1 10250504 GHRDREGIMLFQOE-UHFFFAOYSA-N 425.470 1.259 0 40 IDAB CN1CCN(n2c3c(c(SCC(=O)N4CCc5ccccc54)nc2=O)CCCC3)CC1 10255185 YOBUUXQDNSMKTF-UHFFFAOYSA-N 439.585 1.687 0 40 IDAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 11858231 OGADWHIOPMFKHK-GFCCVEGCSA-N 437.499 1.758 0 40 IDAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 12557897 IZGFZIQAQLDBFV-HNNXBMFYSA-N 430.530 1.620 0 40 IDAB Cc1nnc(SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)n1Cc1ccccc1 12974396 RJQZLUPLGPPTQN-UHFFFAOYSA-N 428.562 1.150 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(OC)c4)C[C@]34C=C[C@H]2O4)CC1 13607714 CYBWPEYKLISFFX-ISJRUSPKSA-N 441.484 1.282 0 40 IDAB CCS(=O)(=O)N1C[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)Oc2ccccc21 13677878 WGUYILBQDAVCTP-HXUWFJFHSA-N 434.514 1.980 0 40 IDAB O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)CN21)NCc1cccs1 15708002 IDMGMJNOTYYCGX-UXLLHSPISA-N 447.586 1.969 0 40 IDAB biogenic,in-vitro CNC(=O)c1cnc(C)nc1[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 19766953 YPDDSHMHYVRFRF-MRXNPFEDSA-N 432.502 1.832 0 40 IDAB CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929789 JGOWBPVQVSJWRD-UHFFFAOYSA-N 441.531 1.300 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)cc1Cl 19938169 ZUXAJZIVXIEPDL-HNNXBMFYSA-N 429.970 1.913 0 40 IDAB O=C(NCCNS(=O)(=O)c1cccc2nsnc12)[C@H]1CC(=O)N(c2ccccc2)C1 20744414 TVKBEZCBPRKTSN-ZDUSSCGKSA-N 445.526 1.139 0 40 IDAB Cn1c(=O)c2ccccc2n2c(COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)nnc12 22223868 SLNKRPJTIDVSGF-UHFFFAOYSA-N 425.489 1.909 0 40 IDAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1 22247710 VYXDLHXVKMDTGS-OAQYLSRUSA-N 431.558 1.749 0 40 IDAB Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 22313743 LRPBJOVMLPVKJP-GOSISDBHSA-N 448.614 1.913 0 40 IDAB O=C(NCc1ccc(-n2cccn2)nc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 23173206 MYPFVISXBBROKC-UHFFFAOYSA-N 426.502 1.379 0 40 IDAB CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 32826351 APJCEBSJNZWWCM-HIFRSBDPSA-N 429.336 1.443 0 40 IDAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)CNC1=NS(=O)(=O)c2ccccc21 40155293 ZJGPHVZMBCNJLD-GJZGRUSLSA-N 436.534 1.677 0 40 IDAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)c2)n1 48343728 GJKCWVSNSJKQEF-HNNXBMFYSA-N 449.533 1.842 0 40 IDAB Cc1c(C(=O)N2CCOC[C@@H]2C)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 69778907 DWRXUKDSMMBOMB-HNNXBMFYSA-N 426.521 1.913 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NC[C@](C)(O)CC)CC2=O)cc1 72304431 KFZDODFSOWVISN-FOIQADDNSA-N 425.551 1.347 0 40 IDAB C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 72394892 VMHDFNLMAMKCQY-QFBILLFUSA-N 439.512 1.814 0 40 IDAB COc1ccc(CCNC(=O)Cn2nc3cc(-c4nc(C)no4)ccn3c2=O)cc1OC 77100872 ZUDWVFANKLJENC-UHFFFAOYSA-N 438.444 1.231 0 40 IDAB O=C1CN(CC(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2N1 78808713 KYNDXWVQWWJKBM-UHFFFAOYSA-N 426.448 1.476 0 40 IDAB CN(C(=O)[C@H]1CSCN1S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C1CC1 95457537 IBVOJPJXVOECPG-SECBINFHSA-N 445.009 1.489 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222603871 WOBYOSXLRDZTKM-CQSZACIVSA-N 439.484 1.894 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(N)=O)CC2)cc1 408594309 PTEVLRHNYNFZHN-FQEVSTJZSA-N 429.542 1.609 0 40 IDAB Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 409414244 JJIYIYXHWWGXJY-NVXWUHKLSA-N 435.546 1.917 0 40 IDAB O=C([C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)N1CCC[C@@H](N2CCNC2=O)C1 525583386 WLBUPPCUBPRLQZ-QZTJIDSGSA-N 445.589 1.954 0 40 IDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)C1 1330329 AOSVFWFDJSPUNI-MRXNPFEDSA-N 444.575 1.635 0 40 IDAB C[C@H]1CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C[C@H](C)O1 3211088 FYIMWSZNJAFECY-STQMWFEESA-N 447.351 1.719 0 40 IDAB CC(C)[C@@H](C(=O)N1CCOCCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O 4018326 POTTZAFHTAXLOH-FQEVSTJZSA-N 448.516 1.216 0 40 IDAB COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 4236299 HIKDZGXHICHWGO-JKSUJKDBSA-N 431.514 1.631 0 40 IDAB biogenic,in-vitro O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 9378386 ISDHXILMMGNDMK-UHFFFAOYSA-N 434.518 1.262 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)CC1 9446447 GZDXBZKMFFFAEH-MRXNPFEDSA-N 442.497 1.178 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)cc1 9451538 PDRDKPDDUKFYMQ-UHFFFAOYSA-N 427.490 1.778 0 40 IDAB CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)Nc1c(F)cccc1F 9492084 STPFQRWIOHHMLQ-UHFFFAOYSA-N 426.445 1.511 0 40 IDAB COc1ccc(C2=NN(C(=O)CSc3nnc(C)c(=O)n3N)[C@@H](c3ccco3)C2)cc1 9545977 IHRYYBPNZOECIM-MRXNPFEDSA-N 440.485 1.732 0 40 IDAB CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nn1 10221050 AUFURGOESCPMLK-UHFFFAOYSA-N 432.550 1.792 0 40 IDAB CC[C@@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 10385985 UKPQUWANMCBFBY-TZMCWYRMSA-N 435.912 1.737 0 40 IDAB Cc1c(C(=O)N2CCC(c3nc(N4CCOCC4)ncc3-c3cnccn3)CC2)cnn1C 12155045 DPCYRUBHARMBBS-UHFFFAOYSA-N 448.531 1.832 0 40 IDAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 12165550 DMFGKDFSXQWANV-UHFFFAOYSA-N 427.482 1.542 0 40 IDAB CN(CC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1)[C@H]1CCS(=O)(=O)C1 12254721 LBFRHNBNXKHBIZ-KRWDZBQOSA-N 444.557 1.159 0 40 IDAB COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12980475 WIUGOCCTAIZCRR-AWEZNQCLSA-N 448.545 1.411 0 40 IDAB O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 17155455 ZJJKVHXZPBASCW-UHFFFAOYSA-N 443.500 1.808 0 40 IDAB CN1CCc2nc([C@H]3CCCN(C(=O)COc4ccc5c(c4)OCCO5)C3)nc(O)c2C1 19590244 RYDQCZQDXLAIMU-HNNXBMFYSA-N 440.500 1.726 0 40 IDAB O=C(NCCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1)c1ccccn1 19697890 TWMPEOSTOFQYKJ-UHFFFAOYSA-N 432.484 1.933 0 40 IDAB CCCn1c(N)c(C(=O)CSc2nc(C)c(C)n2C[C@H]2CCCO2)c(=O)n(C)c1=O 21568783 MJFAYJQPJXIAAD-CQSZACIVSA-N 435.550 1.507 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCc3nnsc3Cl)c2)CC1 21604393 NCUOVCPYOZFVHM-UHFFFAOYSA-N 444.922 1.401 0 40 IDAB O=C(C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 24573557 BEZTYFZAYKIONN-ZMTJCJBESA-N 431.602 1.743 0 40 IDAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 38828145 VZMZONQUFBWZDV-SNVBAGLBSA-N 438.271 1.978 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCc4ccccc43)c2)CCN1 48253790 KIJPAXMCQNQQDT-GOSISDBHSA-N 427.526 1.657 0 40 IDAB CSc1nnnn1-c1cccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)c1 48262427 OLGJHCOKXLXDFG-UHFFFAOYSA-N 426.506 1.938 0 40 IDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 60241225 HKWKDHUATKSJHA-AWEZNQCLSA-N 429.395 1.990 0 40 IDAB COc1ccc(S(=O)(=O)c2cnc(N3CCC4(CC3)OCCO4)nc2N)cc1Cl 67336064 ZJCGUSFCBPQQCB-UHFFFAOYSA-N 440.909 1.897 0 40 IDAB C[C@H](C(=O)N1CCC[C@H](O)C1)N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326582 FSAGMQWYAHJCAK-CGSMKXTHSA-N 434.924 1.576 0 40 IDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccc([S@@](C)=O)cc2)CC1 78307580 UMKZAVHCRIQXSV-MHZLTWQESA-N 427.592 1.691 0 40 IDAB CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@]2(CC(=O)N(C)C2)C1 96143409 VXSLFMSANAZAFL-LJQANCHMSA-N 427.954 1.677 0 40 IDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCN(c2ccccn2)CC1 96230946 CTFCMPWOAQPAMA-KRWDZBQOSA-N 427.892 1.894 0 40 IDAB CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn12 107189455 HJNLHEPEINDFAD-IBGZPJMESA-N 443.515 1.380 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCN1C(=O)c2ccccc2C1=O 219135145 ZGNVPCBJJJMBFU-UHFFFAOYSA-N 441.509 1.902 0 40 IDAB Cc1nc2ccc(NC(=O)[C@H]3CN(C(=O)c4ccc(=O)n(C)c4)CCN3C)cc2s1 257339243 ZAXCIQRKPWWKTO-QGZVFWFLSA-N 425.514 1.698 0 40 IDAB CC(=O)N1C[C@H](C(=O)Nc2cccc(F)c2)O[C@]2(CCN(C(=O)c3cccnc3)C2)C1 306126009 DJGXRZGRXPXHCE-KNQAVFIVSA-N 426.448 1.691 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 409253474 BMKGTARPALOXRA-UHFFFAOYSA-N 435.502 1.476 0 40 IDAB COCCN1C(=O)CN(C2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)C1=O 824411925 BWJQJMLLQSGNHN-UHFFFAOYSA-N 426.876 1.793 0 40 IDAB COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2ncc(Br)cn2)CC1 1775996271 NEHWJNXYMYYUQG-UHFFFAOYSA-N 437.294 1.878 0 40 IDAB CCOc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(C(C)=O)cc1)CN=3)C(=O)N2 2246635 NLVYWZOSVNLQJK-VXPUYCOJSA-N 448.504 1.717 0 40 IDAB O=C1Nc2ccc(-c3cccs3)cc2C(=O)N2CC[C@H](NC(=O)N3CCOCC3)[C@@H]12 8297408 PSFHJTWDKOFCRX-WMZOPIPTSA-N 426.498 1.992 0 40 IDAB biogenic,in-vitro CC(C)CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 8996164 ZYHRQBOFEQPFLU-UHFFFAOYSA-N 430.940 1.903 0 40 IDAB CC(=O)Nc1cccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)c1 9001629 AKDTZJXNZWVVIX-UHFFFAOYSA-N 444.451 1.599 0 40 IDAB CN(C)CCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc1=O)CCC2 9745337 NVVCZKDCTQTJRI-UHFFFAOYSA-N 430.530 1.796 0 40 IDAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCNS(=O)(=O)c1cccc(C)c1 9782198 MDWLXOFMIIYDLU-UHFFFAOYSA-N 435.521 1.967 0 40 IDAB CC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)c1 12029839 BQCNGFUKMBXTOO-SFHVURJKSA-N 436.511 1.858 0 40 IDAB Cc1sc2ncnc(SCC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2c1C 12586283 QDHJPEIJJRTHRG-UHFFFAOYSA-N 449.602 1.403 0 40 IDAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NCCN1C(=O)CSC1=O 12630700 WVDXYHXXFQMGKH-UHFFFAOYSA-N 428.466 1.277 0 40 IDAB CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 13008711 FYJFUEBYCKPZQF-UHFFFAOYSA-N 446.572 1.447 0 40 IDAB CCc1onc(C)c1C(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2cccnc2)CC1 19521128 VTZMUSWKMKSNEQ-UHFFFAOYSA-N 444.517 1.488 0 40 IDAB CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1C[C@@H](O)COc1ccccc1 19904672 JJBQPTVASHOMRK-OAHLLOKOSA-N 430.509 1.029 0 40 IDAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 22903557 IBBPYLJGDLHWPR-UHFFFAOYSA-N 427.526 1.956 0 40 IDAB Cc1cc(=O)n2nc(CN3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)sc2n1 29142774 NJDCJFFNLQVABY-INIZCTEOSA-N 427.486 1.086 0 40 IDAB COc1ccc(CCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 32818417 CUJWMSRVGWPECQ-IRXDYDNUSA-N 425.551 1.126 0 40 IDAB O=C(Cn1nc2ccc(C(=O)NCc3ccccc3)cn2c1=O)Nc1ccc2c(c1)OCO2 48986083 VHVCWRPFOZQJTG-UHFFFAOYSA-N 445.435 1.793 0 40 IDAB CCOc1ccc(NC(=O)[C@@H]2CSCN2C(C)=O)cc1S(=O)(=O)N1CCCC1 58168041 JFFLCRYBCYYHIK-HNNXBMFYSA-N 427.548 1.730 0 40 IDAB CCn1c(C2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)nn(CCOC)c1=O 77147296 IABKNTPNDYYCJV-FNORWQNLSA-N 428.489 1.859 0 40 IDAB CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 89490218 RKYINZCAYGIIIB-XLIONFOSSA-N 438.571 1.251 0 40 IDAB CCOC(=O)/C=C1/SCC(=O)N1CCN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 102883581 INPZPXAHIXOCTP-FOWTUZBSSA-N 435.502 1.648 0 40 IDAB O=C(C[C@@H](CN1CCCN(c2ncccn2)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 106715361 HQNLBCQUZJYGKV-INIZCTEOSA-N 441.488 1.490 0 40 IDAB NC(=O)c1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)/C=C/C(=O)O)c3)C2=O)cc1 113561211 XCQRFNGCIVMZAI-ROJDOSBLSA-N 439.449 1.789 0 40 IDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 224564953 XIOVHKYVHAKOGN-UHFFFAOYSA-N 446.573 1.691 0 40 IDAB COc1ccc(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1OC 225244246 OACLWMQIYGHVNC-OAHLLOKOSA-N 436.486 1.426 0 40 IDAB C[C@H]1CCCCN1CCCNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 248117048 SPRUQIZRCGKQRO-GAJHUEQPSA-N 442.564 1.326 0 40 IDAB Cc1ccc(OCC(=O)N[C@H](CC(N)=O)C(=O)O)c([C@@H]2Cc3ccccc3C(=O)O2)c1 256028165 XJRXUHKHVNALRO-AEFFLSMTSA-N 426.425 1.273 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 409393880 YVCQGJUIJAGKGF-MRXNPFEDSA-N 433.530 1.719 0 40 IDAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c([C@@H]2COc3ccccc3O2)n1 524732494 JJYZPEASNOWSFB-BBRMVZONSA-N 434.412 1.397 0 40 IDAB O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(C(F)(F)F)c2)C1 585283095 BOWDDDZBQVWPMJ-RBUKOAKNSA-N 444.475 1.982 0 40 IDAB Cc1nc2n(n1)C[C@H](NC(=O)N1CCN(CC(=O)Nc3c(C)cccc3C)CC1)CC2 589227412 BAZAIKVUXKDWCT-GOSISDBHSA-N 425.537 1.484 0 40 IDAB Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(=O)O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 2132005 CNUXTOQYWCNBPK-XQNUDUSMSA-N 425.485 1.913 0 40 IDAB biogenic CCOC(=O)C1=C(COC(=O)Cc2c(C)n[nH]c2C)NC(=O)N[C@H]1c1ccc(OC)cc1 8966136 LJHKJQBXPIEKOI-FQEVSTJZSA-N 442.472 1.992 0 40 IDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 9487883 NNSUSKCZRXNSJQ-GMBSWORKSA-N 441.459 1.495 0 40 IDAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 9503402 FKRMFKQAPDNSON-KRWDZBQOSA-N 443.591 1.309 0 40 IDAB Cc1noc(C)c1CSCC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 9509016 XEYYLOVBOXFYSU-UHFFFAOYSA-N 438.506 1.049 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)c1ccc3c(c1)NC(=O)CO3)C2=O 10761944 QTVDSTIGLFTFKV-XUSGNXJCSA-N 429.429 1.244 0 40 IDAB CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 12660221 NPQAQXMWDAMBJC-BPUTZDHNSA-N 437.518 1.225 0 40 IDAB biogenic CC(C)(CNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CCOCC1 18183442 SKPOUZBZDNXQDB-UHFFFAOYSA-N 434.562 1.075 0 40 IDAB O=C(Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN12)NCc1cccc(F)c1 19293914 VBDMKYWXKLXWLL-UHFFFAOYSA-N 426.839 1.723 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)Cn2cccn2)CCO1 19703019 AKQCLFPOKIHXNA-HNNXBMFYSA-N 429.502 1.469 0 40 IDAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)c(OC)c1 19991120 ANDIZKBGTDWHGY-QHCPKHFHSA-N 426.469 1.801 0 40 IDAB CCSc1nc2n(n1)[C@H](c1ccc(OCC(N)=O)c(OC)c1)C(C(=O)OC)=C(C)N2 20190964 UHSPOZUHMXQZQQ-MRXNPFEDSA-N 433.490 1.725 0 40 IDAB COc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(OC)c1OC 20457111 AXWZRUVLLRFBAH-QGZVFWFLSA-N 436.486 1.556 0 40 IDAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCc1ccncc1 22249268 KBNQCXVUTVNSMW-UHFFFAOYSA-N 425.894 1.451 0 40 IDAB Cc1cc(CN2CCN([C@H](C)C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)on1 22252581 LJUYMADPPPMMPQ-QGZVFWFLSA-N 449.577 1.687 0 40 IDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC3CC3)CC2)c(C)c1C 25402962 RIKCVHOMDMCXCQ-UHFFFAOYSA-N 436.578 1.523 0 40 IDAB COC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccc(C)cc2)c(=O)n1N 27299304 YCUVYLIMRIHPGI-UHFFFAOYSA-N 439.497 1.769 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2nnsc2Cl)CC1 32759388 YKFWRZWIUBTGRQ-UHFFFAOYSA-N 430.939 1.859 0 40 IDAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 32784389 VHVZENUDBPNIMJ-FXAWDEMLSA-N 443.500 1.951 0 40 IDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 55142370 FYTIZPQLNIJNMR-UHFFFAOYSA-N 446.529 1.461 0 40 IDAB COCCn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952882 LYKGXQMTXCCPDZ-UHFFFAOYSA-N 432.912 1.045 0 40 IDAB COc1ccc(CCNC(=O)Cn2ccn(-c3ccccc3OC)c(=O)c2=O)cc1OC 67256236 JKBGUTVTFNHOPC-UHFFFAOYSA-N 439.468 1.384 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 72334483 XZWHILQHAFIGNE-LZCXECNNSA-N 448.567 1.654 0 40 IDAB CCc1sc(NC(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)nc1C(=O)OC 79494062 FLYJQWVUKODPPW-LLVKDONJSA-N 426.520 1.917 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCCOc1ccc(F)cc1 83967440 AKLGWJFOMCMJFT-CQSZACIVSA-N 437.493 1.567 0 40 IDAB COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(O)cc(C)n(CC(=O)O)c1=O 96221045 AWSIOTIZCAJPLJ-CYBMUJFWSA-N 435.429 1.668 0 40 IDAB biogenic COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(OC)cc2OC)o1 96231164 YUSIFJWFYMRSAB-KRWDZBQOSA-N 433.457 1.890 0 40 IDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 107324523 GOVAGBXSGVKAJC-TUVUNVSASA-N 443.500 1.347 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222603930 WOBYOSXLRDZTKM-AWEZNQCLSA-N 439.484 1.894 0 40 IDAB COc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 224026070 SVVVOPWQVPCDMR-UHFFFAOYSA-N 434.514 1.833 0 40 IDAB COc1cc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc(OC)c1OC 224328504 FYECNSSOLBGHAZ-UHFFFAOYSA-N 443.504 1.301 0 40 IDAB CCc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224467572 WVRVKGIHRLHCJU-UHFFFAOYSA-N 448.541 1.844 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccc(F)cc4)C3)C2=O)cc1 225383775 JOYUCEUTOSOXCG-CTNGQTDRSA-N 439.487 1.393 0 40 IDAB biogenic,in-vitro Cc1cc(C)c(C)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cn(C)cn3)CC2)c1C 238838610 HHXQDOQQSINAKV-UHFFFAOYSA-N 440.591 1.739 0 40 IDAB Cc1ccc2nc(COCC(=O)N3C[C@@H](O)[C@H](n4ccc5cc(C(N)=O)ccc54)C3)[nH]c2c1 257273632 NHMXAIFBFNJHKT-NHCUHLMSSA-N 447.495 1.886 0 40 IDAB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1I)[C@H]1C=C[C@@]2(C2OCCO2)O1 409281356 LHGDUYBCBRNCOE-IPJQOSJUSA-N 439.205 1.477 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCN(c3ccc4nnc(C)n4n3)CC2)cc1Cl 1775967172 IHUCMYRYEUGSRB-UHFFFAOYSA-N 436.925 1.996 0 40 IDAB CN(C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1)S(=O)(=O)N1CCCCCC1 1775971411 NWMLMKDJTZOUPB-UHFFFAOYSA-N 442.549 1.428 0 40 IDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9402853 IXHMQNAGEISFJJ-UHFFFAOYSA-N 428.466 1.924 0 40 IDAB Cc1ccc(S(=O)(=O)NCCC(=O)O)c(C)c1N(C)S(=O)(=O)c1ccccc1 9849120 HLDZVMSEZKKHNX-UHFFFAOYSA-N 426.516 1.882 0 40 IDAB CC1CCN(CCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 10540877 NRADPUJBMDVZTL-UHFFFAOYSA-N 425.551 1.462 0 40 IDAB O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1)OC[C@@H]1CCCO1 12136981 QWXHNNIUOHBGEZ-LSDHHAIUSA-N 439.921 1.267 0 40 IDAB CC(=O)N[C@H]1[C@@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@H](CO)[C@H](O)[C@@H]1O 12276933 SMWDBPKQNHBCGZ-RGDJUOJXSA-N 433.301 1.047 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2ccccc2F)CC1 13581045 COHHXQFCIWSDRM-UHFFFAOYSA-N 439.484 1.943 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 14291884 CZAOEUIXTKVTLE-UHFFFAOYSA-N 440.518 1.131 0 40 IDAB Cc1ncsc1C(=O)N1CCO[C@@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19696226 ARFIQYUWOSHXHP-CYBMUJFWSA-N 432.527 1.997 0 40 IDAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc2c1CCC(=O)N2CC(C)C 19741939 SSZJHGVCUXDQPD-MRXNPFEDSA-N 432.550 1.980 0 40 IDAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1 20051833 JKIQBDVFTIQIPF-QGZVFWFLSA-N 438.532 1.325 0 40 IDAB Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 20059889 YRXJGRAVQYIBSQ-UHFFFAOYSA-N 438.532 1.388 0 40 IDAB COCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 22278448 WPZVNBPMTVEZQZ-UHFFFAOYSA-N 435.502 1.612 0 40 IDAB NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 25607241 NMTSAGMJNGXCQJ-MSOLQXFVSA-N 436.940 1.027 0 40 IDAB COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)ccc1O 31166504 CAIGUMKGQLGFBR-PZTMCFHLSA-N 432.381 1.174 0 40 IDAB biogenic,in-vitro C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 32910069 PLJTWSFAMZMHKM-HUUCEWRRSA-N 442.509 1.793 0 40 IDAB CN(CC(=O)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1)S(C)(=O)=O 36715761 HLKFBXPMNMVYMW-UHFFFAOYSA-N 446.982 1.506 0 40 IDAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3nc(-c4cnccn4)no3)cc2)n1 42381536 XTXBJHCAZGWHFR-UHFFFAOYSA-N 438.429 1.678 0 40 IDAB COc1ccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)cc1F 49402633 REAPYDNQNPXWLA-UHFFFAOYSA-N 433.461 1.801 0 40 IDAB Cc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1CCc1ccc(S(N)(=O)=O)cc1 50128887 YROWNOVKTXWMJH-UHFFFAOYSA-N 442.472 1.818 0 40 IDAB COC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 56895993 CCACWSIHQQFNLX-UHFFFAOYSA-N 447.495 1.799 0 40 IDAB CN1CCCN(c2ccc(CNC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cn2)CC1 69538532 PDDPEFWBNPWGOH-UHFFFAOYSA-N 446.577 1.796 0 40 IDAB Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3cnn(C)c3C)C2)c(=O)o1 71785175 LLTXDTWJHAIPQA-KRWDZBQOSA-N 443.485 1.699 0 40 IDAB Cc1nc([C@H]2CCCCN2CC(=O)Nc2nccs2)ncc1C(=O)N1CCOCC1 72345534 HXVRQBLRHNEYMT-MRXNPFEDSA-N 430.534 1.880 0 40 IDAB O=C(N[C@@H](c1nccs1)C1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ccccn1 72394660 GCRUCQQUZSITPW-DOTOQJQBSA-N 448.570 1.683 0 40 IDAB COC(=O)c1ccccc1NC(=O)C[C@@H](CN1CCN(Cc2cccnc2)CC1)C(=O)O 72403439 VQALZEFBAJQSMB-SFHVURJKSA-N 440.500 1.715 0 40 IDAB Cc1cc([C@H](O)CCNC(=O)C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c(C)o1 90613512 KMBGFJVNDPQRBW-LJQANCHMSA-N 449.529 1.787 0 40 IDAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3CC3C(=O)N(C)C(=O)N(C)C3=O)cc2N1 100728733 HRKKTOJKLWQFIQ-DDTOSNHZSA-N 442.442 1.994 0 40 IDAB O=C(O)CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@H](c5ccco5)[C@H]34)[C@H]2C1=O 245235266 IOYLOAKNPVOCST-YSJBTAPUSA-N 446.506 1.977 0 40 IDAB O=C1Cc2cc(S(=O)(=O)N3CCC([C@@H]4NC(=O)N[C@H]5OCCC[C@H]54)CC3)ccc2N1 257274592 NLTPGJXOBAVNLO-SNRMKQJTSA-N 434.518 1.016 0 40 IDAB Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)cc1 306125418 CQBQLBLDKXDXPU-FQEVSTJZSA-N 425.533 1.350 0 40 IDAB CCn1cc(CN2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@@H]3C2)cn1 306135127 OIQIHOBMZLWADW-MOPGFXCFSA-N 440.529 1.529 0 40 IDAB CCc1noc(C)c1CNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 575233860 KASUPNUBYLJAEM-UHFFFAOYSA-N 443.323 1.977 0 40 IDAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN([C@@H]4CCN(CC(F)(F)F)C4=O)CC3)n2)n1 1776000837 MOCJOQPLSMRCHR-MRXNPFEDSA-N 438.454 1.846 0 40 IDAB C[C@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1ccccc1O 2133891 LPLHLJDAFSPKOR-ZOVYDAAZSA-N 436.461 1.232 0 40 IDAB biogenic COCCNC(=O)/C(C#N)=c1\s/c(=C\c2cccs2)c(=O)n1-c1ccccc1F 2616244 MMXNRBAMYKISBF-UUMFAICXSA-N 429.498 1.365 0 40 IDAB Cn1c(=O)c2[nH]c(N3CCN(C(=S)Nc4ccccc4Cl)CC3)nc2n(C)c1=O 8775197 ZVGJESIZDTYWII-UHFFFAOYSA-N 433.925 1.133 0 40 IDAB CCOc1ncccc1C(=O)N(CCS(=O)(=O)N1CCOCC1)Cc1ccccn1 8993316 QLAOLFYUOFNXEV-UHFFFAOYSA-N 434.518 1.180 0 40 IDAB O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccn1 8993412 JXIPKZYHSRSVGO-UHFFFAOYSA-N 436.921 1.891 0 40 IDAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1cccnc1 9061025 CXKBTMMLSWXQSM-KRWDZBQOSA-N 448.520 1.444 0 40 IDAB CS(=O)(=O)NCCCCCC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 9244427 YQFJSJYKHQGTJC-UHFFFAOYSA-N 445.563 1.317 0 40 IDAB COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C[C@@H]5CCCO5)C(=O)[C@@H]24)O3)cc(OC)c1OC 9409823 LQAIALVFPHCXFW-GQJVSRJRSA-N 444.484 1.612 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)NC(=O)N[C@@H]1C 9462891 ADDBGSIZQUFUTF-ZBFHGGJFSA-N 429.473 1.405 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)OCC(=O)c2ccc(OC)cc2OC)nc1N 9469507 WMMDCZDSAOWLHG-UHFFFAOYSA-N 435.458 1.771 0 40 IDAB NC(=O)C1CCN(C(=O)C(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)CC1 9519478 ULKIUOTYBJJFSJ-UHFFFAOYSA-N 438.528 1.951 0 40 IDAB CCn1c(N)c(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c(=O)[nH]c1=O 9634806 JUBZCNRFCNZPIS-UHFFFAOYSA-N 445.863 1.385 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)N1CCc3sccc3[C@H]1c1cccs1)c(=O)n2C 9744388 KEVYOMPMAFRWNA-INIZCTEOSA-N 441.538 1.731 0 40 IDAB O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl)OC[C@@H]1CCCO1 9910508 PLODWYGCZPNXQR-WFASDCNBSA-N 439.921 1.267 0 40 IDAB NC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(F)cc3)o2)cc1 10384645 GCZKEJZXOQMYAC-UHFFFAOYSA-N 429.433 1.968 0 40 IDAB CC(C)CC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1 12401295 IZAJENFSQINQFJ-QGZVFWFLSA-N 428.342 1.537 0 40 IDAB Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)cnc21 12869228 PQHVFELQZSOXSE-KRWDZBQOSA-N 427.892 1.842 0 40 IDAB O=C(Nc1ccccc1C(=O)N1CCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12948392 QCGZOQRXNKAWGE-HNNXBMFYSA-N 446.529 1.417 0 40 IDAB CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1C 13012258 LXQRJZOSYZBMJO-UHFFFAOYSA-N 430.486 1.326 0 40 IDAB CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(OC)cc2)cc1 13372045 XCLZLLSWJIXTJI-PMACEKPBSA-N 439.555 1.823 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1C 14069580 BAWHWPPPTMFRGG-KRWDZBQOSA-N 428.576 1.188 0 40 IDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H](c1ccc(F)cc1)N1CCOCC1 14170568 HJJCXUHMTNXRHZ-HXUWFJFHSA-N 440.475 1.409 0 40 IDAB CCCn1c(=O)n(CC(=O)Nc2cc(C)ccc2OC)c(=O)c2c1nc(C)n2CCOC 14358295 WEMIRMZSCIABJR-UHFFFAOYSA-N 443.504 1.680 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1c(C)noc1C 16153367 SRXXSDVJKGTDGZ-UHFFFAOYSA-N 431.492 1.122 0 40 IDAB Cc1nc([C@@H]2CCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)ncc1C(=O)N1CCOCC1 19757599 PZVCZTNCAHDJGY-MRXNPFEDSA-N 440.548 1.918 0 40 IDAB Cc1nc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ncc1C(=O)N1CCOCC1 19766518 YZAOUEGTBUEMDK-UHFFFAOYSA-N 448.520 1.965 0 40 IDAB COCCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O 19824842 ZMLXBIJJXKXGJL-UHFFFAOYSA-N 448.589 1.582 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 20610777 DUCJOSYWMDPMOJ-BQJJVBGXSA-N 449.507 1.613 0 40 IDAB biogenic COc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 22229159 LXYRJNHAJARMJG-UHFFFAOYSA-N 447.513 1.014 0 40 IDAB COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 22795884 WQTIICJUYYNCMS-HXUWFJFHSA-N 428.508 1.555 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)NC(=O)N[C@@H]1C 22869959 FIKGGFAVGPCJBK-UKRRQHHQSA-N 429.473 1.664 0 40 IDAB Cc1cccc(CN2CCN(C(=O)CSc3nnc(SCC(N)=O)s3)CC2)c1 23030240 JBUUZYYRGPEMAS-UHFFFAOYSA-N 437.616 1.860 0 40 IDAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1CCCO1 56945555 SLGBFKGBWPQNEW-UXHICEINSA-N 444.507 1.693 0 40 IDAB COc1ccc(N2Cc3nn(CC(=O)NCc4cc(F)cc(F)c4)c(=O)n3C2=O)cc1 66091616 JAMXAFAWXLVIFA-UHFFFAOYSA-N 429.383 1.636 0 40 IDAB COc1cccc(C[C@@H](C(=O)NCc2ccnc(-n3ccnc3C)c2)n2nnnc2C)c1 69652699 YZRNQIPZJTUIMS-FQEVSTJZSA-N 432.488 1.979 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(Cn3nc4c(cc3=O)CCCCC4)CC2)cc1 79481135 OTRNPMAEXQMYME-UHFFFAOYSA-N 432.546 1.485 0 40 IDAB COC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 96104235 ACLCTGXIXGKPKR-UHFFFAOYSA-N 445.437 1.326 0 40 IDAB Cc1ccc2nc(COC(=O)[C@@H]3CSCN3S(=O)(=O)c3ccccc3)cc(=O)n2c1 97124691 QQQKZADRFYLEDX-KRWDZBQOSA-N 445.522 1.810 0 40 IDAB COCCS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1 101473909 DZAPTKGWRPCUAI-IBGZPJMESA-N 444.509 1.506 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCN(C)CC3)Oc3ccccc32)cc1 219403818 VKLYTHCUCBAXIO-NRFANRHFSA-N 445.541 1.862 0 40 IDAB Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCN(C)CC1 225404200 BTIBRYVOVRKLLC-UHFFFAOYSA-N 431.514 1.955 0 40 IDAB CCn1ccc(NC(=O)[C@@H]2CN(C(=O)CCc3ccc4c(c3)OCCO4)CCN2C)n1 257211742 CAGHVDPTKHYEOL-KRWDZBQOSA-N 427.505 1.388 0 40 IDAB CN1CCN(C(=O)C[C@H]2CN(C(=O)CN3CCCC3)CC[C@@H]2Oc2ccccc2)CC1 257236654 HDCLEVYRYSIVIR-UNMCSNQZSA-N 428.577 1.542 0 40 IDAB O=C(COCC(=O)N[C@H]1COc2ccc(F)cc2C1)N[C@H]1COc2ccc(F)cc2C1 519854134 AIDYYLLTVCKETI-QZTJIDSGSA-N 432.423 1.521 0 40 IDAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575608879 WBKRRKCWOBKTQU-WMLDXEAASA-N 426.560 1.464 0 40 IDAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888899297 MMSQWDUCRLHDRB-HNNXBMFYSA-N 425.464 1.900 0 40 IDAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1C[C@H]2CN(c3ncncc3C)C[C@@H]2C1 1889237069 GHLZAAADKWNGRG-IAGOWNOFSA-N 432.484 1.548 0 40 IDAB O=C(COc1ncnc2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3277575 WAPPKLLYAFFVGZ-UHFFFAOYSA-N 428.470 1.668 0 40 IDAB CCOC(=O)[C@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 8433059 FLXDKBNUHWAQLZ-PBFPGSCMSA-N 436.383 1.839 0 40 IDAB CCOC(=O)NC(=O)CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O 9256856 CVXFKGVAAUJWAP-UHFFFAOYSA-N 441.440 1.772 0 40 IDAB C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N[C@@H]1CCS(=O)(=O)C1 10779697 BOOBIPRAYRPKDB-GXTWGEPZSA-N 426.589 1.977 0 40 IDAB O=S(=O)(NCCNc1ccc(Nc2ccncc2)nn1)c1ccc2c(c1)OCCO2 11697885 OECCHHLUIMAYIN-UHFFFAOYSA-N 428.474 1.777 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 12232327 IRQIVEAYQBQELI-INIZCTEOSA-N 427.505 1.172 0 40 IDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CCOc2ccccc2)CC1 12594378 FWUOPCSZRGIJGP-UHFFFAOYSA-N 428.533 1.854 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(Cc3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1OC 13121002 SAOGWSILHARLJY-NRFANRHFSA-N 447.513 1.921 0 40 IDAB CCN(C(=O)CSc1nc2ccccc2c(=O)n1CCOC)[C@@H]1CCS(=O)(=O)C1 13132836 WMFYYUZELVONNC-CQSZACIVSA-N 439.559 1.171 0 40 IDAB Cn1nnc2c(N3CCN(CC(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)ncnc21 13533808 TWSSLPOSRLMXNI-UHFFFAOYSA-N 436.398 1.418 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)o2)n(C)n1 13615035 VQAWIOOXAHWPOF-AWEZNQCLSA-N 434.453 1.709 0 40 IDAB Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1NC(=O)c1ccco1 14135594 MDALDJDUFYGRAR-KRWDZBQOSA-N 431.514 1.785 0 40 IDAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 14663443 WIXSLNTWDOICJI-UHFFFAOYSA-N 431.514 1.970 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 14932441 SMGGPJAECLVIGY-UHFFFAOYSA-N 426.498 1.908 0 40 IDAB CCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2I)CC1 19538526 KBLZKCUFHGZLIS-UHFFFAOYSA-N 444.317 1.374 0 40 IDAB CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 19572175 ILTVKXOCXOJVBF-UHFFFAOYSA-N 431.514 1.526 0 40 IDAB COc1ccccc1S(=O)(=O)NCCc1cc(N2CCN(C)CC2)nc(C2CC2)n1 19590095 LXJIHKIFSIIDKS-UHFFFAOYSA-N 431.562 1.635 0 40 IDAB CCCN1C[C@@H](C(=O)N2CCC(c3ccc(C(=O)N4CCN(C)CC4)cn3)CC2)CC1=O 19708371 JQRHQODNAUXTCG-FQEVSTJZSA-N 441.576 1.434 0 40 IDAB COC(C)(C)C(=O)N1CCC(c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 19744836 OIWPMPXHZLVFHZ-UHFFFAOYSA-N 442.438 1.782 0 40 IDAB Cc1cc(S(=O)(=O)N2CC[C@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)ccc1F 19757825 GIUWKIRADDAFTO-INIZCTEOSA-N 448.520 1.883 0 40 IDAB CNCc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 19760888 VOONSQJWURXJJS-INIZCTEOSA-N 433.534 1.559 0 40 IDAB COc1ccccc1CNC(=O)c1ccc(C2CCN(S(=O)(=O)N(C)C)CC2)nc1N 19766788 VIDIDJAHJNPICC-UHFFFAOYSA-N 447.561 1.588 0 40 IDAB CS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc21 19819462 QNSJTXWUBFCPST-UHFFFAOYSA-N 449.510 1.463 0 40 IDAB COc1cc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc(OC)c1O 19890038 GXCBBUDTHLUSSU-UHFFFAOYSA-N 449.529 1.874 0 40 IDAB COc1cc(OC)cc(C(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 22998106 JITNOAXXYHNEJC-UHFFFAOYSA-N 447.557 1.581 0 40 IDAB O=C(COc1coc(CN2CCOCC2)cc1=O)N1CCN(c2ccc(F)cc2)CC1 49549196 ZCRJSBRXDLGCOT-UHFFFAOYSA-N 431.464 1.339 0 40 IDAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NCCCc2ccccc2)c1=O 57520634 RGCLKTJPNLGVKA-UHFFFAOYSA-N 427.530 1.506 0 40 IDAB COc1cccc2cc(C(=O)Nc3ccc(-n4nnc(C(=O)NC5CC5)n4)cc3)c(=O)oc12 71001152 PLKSDDIDUUVWCR-UHFFFAOYSA-N 446.423 1.922 0 40 IDAB CCCCCCn1c(N2CCN(C(=O)c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 72260237 ZDJGVQNKZZAJIJ-UHFFFAOYSA-N 438.532 1.966 0 40 IDAB CC(=O)c1ccc(N2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)CC2)cc1 72294602 WJIDFAQKAGPIER-UHFFFAOYSA-N 444.532 1.617 0 40 IDAB CC(C)(C(=O)Nc1ccc(C(N)=O)nn1)S(=O)(=O)c1ccc(Br)cc1 89621019 JZQFNZBRFGQFHC-UHFFFAOYSA-N 427.280 1.529 0 40 IDAB CCCN1CCC(NC(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CC1 89959032 FQSYFZFTXWMVCX-UHFFFAOYSA-N 431.581 1.242 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)C1=O 95939093 ALTHSYRTOYICKZ-QFIPXVFZSA-N 431.408 1.641 0 40 IDAB NC(=O)Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 106004214 GPSRWWUUGRYPFO-UHFFFAOYSA-N 431.514 1.307 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCc3ccccc3[C@H]2CO)C1=O 107154004 UYOUVTFSCXSZLS-YKSBVNFPSA-N 436.512 1.553 0 40 IDAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-n2cnnc2)c1C 223681173 ZAEPSYUKILSABO-RTBURBONSA-N 425.518 1.938 0 40 IDAB COc1cccc(O[C@@H]2C[C@@H](n3cc(C(=O)O)ccc3=O)[C@H](N3CCOCC3)[C@H]2O)c1 257243991 IJLFNQMQOODPKT-QCFAMHMHSA-N 430.457 1.009 0 40 IDAB O=C(CN1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1)Nc1ccc2c(c1)OCCCO2 257275395 NPFKJODSZRTJBY-YLJYHZDGSA-N 428.441 1.609 0 40 IDAB Cn1cc(CN2CC3(CN(C(=O)NCc4ccco4)C3)[C@@]3(C2)C(=O)Nc2ccccc23)cn1 306133161 MDRVUDKXFBIKBK-XMMPIXPASA-N 446.511 1.931 0 40 IDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 575426255 PQVCPVPCHKGTGW-QGZVFWFLSA-N 445.522 1.953 0 40 IDAB O=S(=O)(Cc1noc2ccccc12)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 606440604 HHVSQNUHTYDTDD-UHFFFAOYSA-N 448.526 1.981 0 40 IDAB COCCO[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1 1639401297 HTWXATCTIYSIIV-OAHLLOKOSA-N 432.564 1.161 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5cc(C)ccc5OC)C[C@H]4C3)nn12 1888941652 HPULLSRURLRTDR-IYBDPMFKSA-N 442.545 1.761 0 40 IDAB CCn1c(SCC(=O)NCc2cnn(C)c2)nnc1-c1cc(C(F)(F)F)n(C)n1 2794008 QOFBZWFVWNVEEF-UHFFFAOYSA-N 428.444 1.859 0 40 IDAB COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)N5CCOCC5)CO[C@H]34)n2)cc1 5433748 NCRIVZILYIBBLP-VNTMZGSJSA-N 441.488 1.141 0 40 IDAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCNC(=O)c1ccccc1OC 9126573 IFPANVUGZIIDJI-UHFFFAOYSA-N 435.502 1.713 0 40 IDAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 9170800 HVNGNRYKQMFSQX-UHFFFAOYSA-N 442.497 1.991 0 40 IDAB O=C(COc1ccccc1F)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9570008 IGMPXMUBIWOFOL-UHFFFAOYSA-N 439.484 1.612 0 40 IDAB CN(C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 9671889 MOOLQTLZIKIWSQ-GOSISDBHSA-N 441.509 1.128 0 40 IDAB CCOc1ccccc1NC(=O)CSc1nc(=O)n(N2CCN(C)CC2)c2c1CCC2 10255089 UOQUIZHHACGQOR-UHFFFAOYSA-N 443.573 1.745 0 40 IDAB Cc1ccccc1OC[C@H](O)Cn1c(N2CCC[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 12232416 JLUVWMBXPDLSCJ-DOTOQJQBSA-N 441.532 1.418 0 40 IDAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1)N1CCOCC1 12564439 PABXLVWNWYUKFA-LJQANCHMSA-N 437.543 1.628 0 40 IDAB Cc1ccc(OCCN(C)C(=O)CCn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 12764578 JBOYWPMBMBLTOA-UHFFFAOYSA-N 433.486 1.478 0 40 IDAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 12982520 JGLGIEKWNDRTJI-AWEZNQCLSA-N 437.474 1.496 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(C)c1=O 13131200 KAWIQVPWQSQDCX-UHFFFAOYSA-N 429.473 1.353 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccc(F)cc1)c(=O)n2CC(=O)N1[C@@H](C)CCC[C@@H]1C 13228012 SJDBVQMYIIVQOM-STQMWFEESA-N 440.479 1.918 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@H]([C@@H](C)O)N[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 15957053 JBPHKLSPHJFFQO-ADFWDLAYSA-N 449.507 1.613 0 40 IDAB biogenic CCOC(=O)C1=C(CSc2nnc(N3CCOCC3)n2-c2ccccc2)NC(=O)NC1 17278834 YMVBJIBBQCVWKC-UHFFFAOYSA-N 444.517 1.326 0 40 IDAB Cn1c(=O)c2cc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)cnc2n(C)c1=O 22760986 YYNGXQAHIVKOTN-UHFFFAOYSA-N 433.424 1.408 0 40 IDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)cc1 23674762 CHCPIIQVBBNTRQ-VQTJNVASSA-N 440.606 1.847 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CN1Cc1ccccc1Cl 23990108 XMCYRMKYNVUAFT-SJORKVTESA-N 439.965 1.020 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CN3C(=S)N(C4CC4)C(=O)[C@@H]3C)CC2)c1 32809978 HNDQWIOEKGADEF-INIZCTEOSA-N 436.603 1.547 0 40 IDAB CCn1c(=O)c2ccccc2n2c(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)nnc12 32856065 QTTCZPNCKYAJCI-HSZRJFAPSA-N 428.452 1.958 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2c(F)cccc2F)c1=O 32958170 XPKIKWNFXGLICB-UHFFFAOYSA-N 437.447 1.146 0 40 IDAB COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 35770662 IGAATKRTPSANQM-GJZGRUSLSA-N 446.554 1.851 0 40 IDAB C[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc(-n2cc(C(N)=O)nn2)cc1 40154599 LXKVCKUDMCLXIV-LBPRGKRZSA-N 440.895 1.901 0 40 IDAB COCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 57773624 KMWATVARLMQEMD-SFTDATJTSA-N 425.529 1.712 0 40 IDAB Cc1c(C)c2ccc(OCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(C)c2oc1=O 79481921 ULDCYMDVSBPHPK-KRWDZBQOSA-N 448.541 1.428 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)OC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 97117138 SZWFMSMZYIQKCB-OAHLLOKOSA-N 434.555 1.963 0 40 IDAB CC1(C)OC(=O)C(=C2[C@H]3[C@H]4C[C@H]5[C@H]3C(=C3C(=O)OC(C)(C)OC3=O)[C@@H]3[C@H]2[C@@H]4[C@H]35)C(=O)O1 100932768 NGQONMCYYIFSHF-RKPOYUIDSA-N 426.421 1.640 0 40 IDAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 138714441 VONPLQUMRUBTQY-CYBMUJFWSA-N 429.404 1.510 0 40 IDAB COc1ccccc1OC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225564542 VUUKNZCASWENKH-INIZCTEOSA-N 434.514 1.913 0 40 IDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)c1 575424395 AALSCAMWGUZEMX-LSDHHAIUSA-N 445.902 1.391 0 40 IDAB O=C(NCc1ccc(F)cc1)c1nnc2n1CCN1CCN(C(=O)C3CC(F)C3)C[C@H]21 585109900 JCMYCJIBBBSJSR-BDVYOWHSSA-N 430.459 1.294 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCN(c3cc4c(nn3)CCC4)C2)cc1 585150099 AKCSURUOEOYJDQ-KRWDZBQOSA-N 429.546 1.188 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@](O)(c3ccccc3)C3CCOCC3)cc21 618255700 WGTYCAKRFAGOLM-OAQYLSRUSA-N 432.498 1.724 0 40 IDAB CCCc1ccc(CN2CCCCOC[C@H](O)[C@H](O)[C@@H](OC)CN(C(C)=O)CCC2)o1 643912907 CSISZSFYNRRLSO-VABKMULXSA-N 440.581 1.820 0 40 IDAB Cn1c(O)nc2ncc(-c3cccc(C(=O)Nc4cc(C(N)=O)cc(C(N)=O)c4)c3)cc21 681222871 LNMFXEBPWHPENZ-UHFFFAOYSA-N 430.424 1.791 0 40 IDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cncc(Br)c5)C[C@@H]4C3)nn12 1888890659 QVLZPSDBYGNSBR-KBPBESRZSA-N 428.294 1.799 0 40 IDAB Cn1c(O)ncc(C(=O)N2CC[C@@H](COc3ccc(-c4cccc(F)c4)nn3)C2)c1=O 1888906290 QTMCRZBDMIEBTF-CYBMUJFWSA-N 425.420 1.623 0 40 IDAB CCN(CC)C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 1222971 PGXYGDFWNTYWBS-UHFFFAOYSA-N 433.509 1.582 0 40 IDAB O=C(NC1CCN(Cc2nnnn2Cc2ccc3c(c2)OCO3)CC1)c1ccccc1F 1346097 GJSCKLKGIZNNEL-UHFFFAOYSA-N 438.463 1.984 0 40 IDAB O=S(=O)(c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1)N1CCOCC1 3428687 RBCXGHQAOXVRLB-UHFFFAOYSA-N 446.529 1.153 0 40 IDAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)cc1OC 9001074 ZHBUBXAQDPGKAY-UHFFFAOYSA-N 447.451 1.657 0 40 IDAB CC[C@H](C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)N[C@H](CCC(=O)O)C(=O)O 9059039 FOYFLALCUWRAIR-PPHDSNJXSA-N 434.449 1.653 0 40 IDAB biogenic NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 9275203 MDHMHJKEVHNDLL-ZDUSSCGKSA-N 432.458 1.032 0 40 IDAB O=C(OCC(=O)N1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 9284285 FXPZJSZQAKQEIK-UHFFFAOYSA-N 428.482 1.406 0 40 IDAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1C 9316309 JPODTZUZPYFSMP-UHFFFAOYSA-N 436.486 1.821 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 9497486 NRCQNWBCTZFTQL-HXUWFJFHSA-N 430.486 1.439 0 40 IDAB Cn1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccccc2c1=O 9641591 ASVYDFUTRSTTAQ-UHFFFAOYSA-N 436.453 1.777 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccccn1 9715263 DIHGODHFWFMZMR-SFHVURJKSA-N 448.520 1.587 0 40 IDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 11858199 BIOSIESXIMUWPN-LBPRGKRZSA-N 440.499 1.817 0 40 IDAB CC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 12521385 RQXJYBUMYBTLLH-UHFFFAOYSA-N 445.497 1.563 0 40 IDAB O=C(Nc1cnc2ccccc2c1)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 12590418 ZIERDPFGUPMLOQ-MRXNPFEDSA-N 445.522 1.953 0 40 IDAB O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(Br)cc1 12802147 LRPLETBXTIDYAK-NFAWXSAZSA-N 430.324 1.795 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCN(c2ccccc2O)CC1 13041038 BRGGMKQAWFXRJK-UHFFFAOYSA-N 448.545 1.412 0 40 IDAB CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 13513663 KROXGCORYSHQFW-GJZGRUSLSA-N 431.580 1.252 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H](O)c3ccccc3)C2)cc1 13626467 WKAPESNSXAEIAF-WIYYLYMNSA-N 445.541 1.896 0 40 IDAB CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc3c(OC)cc(OC)cc3n2C)CC1 13688153 VNAATTPURJGKMU-UHFFFAOYSA-N 432.477 1.226 0 40 IDAB COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccco1 13691558 WJKVJQGGLCKYSS-UHFFFAOYSA-N 428.488 1.469 0 40 IDAB CCc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(OC)cc3)C2)n1 19522474 HZTGPIJGNVPXEJ-OAHLLOKOSA-N 433.530 1.911 0 40 IDAB CN(C(=O)CN1C[C@H](c2ccc(F)cc2)[C@@H](c2csnn2)C1)[C@@H]1CCS(=O)(=O)C1 19585865 NFNSXLOYGGXUCH-ZACQAIPSSA-N 438.550 1.506 0 40 IDAB CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 20533168 CTUBSDMYWRJJCE-UHFFFAOYSA-N 430.940 1.273 0 40 IDAB CS(=O)(=O)Nc1cccc(CNC(=O)NCc2ccccc2CN2CCOCC2)c1 28423641 LWDWWDPATZVESI-UHFFFAOYSA-N 432.546 1.890 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)c1 32615458 QVPICLHGTPDFSL-UHFFFAOYSA-N 447.451 1.609 0 40 IDAB CCCC(=O)Nc1ccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 59283540 ADEGDIQYRGCBTM-INIZCTEOSA-N 434.518 1.207 0 40 IDAB CN(C)CCOc1cccc(CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 59350444 LPTDDZVWPOFLLE-UHFFFAOYSA-N 430.530 1.372 0 40 IDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 61717796 SYRGENFKTNXVMH-SFHVURJKSA-N 445.564 1.986 0 40 IDAB CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 78875211 OXMMLFOMMJUFCM-HUUCEWRRSA-N 449.533 1.533 0 40 IDAB COc1ccc([C@@H](CNC(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)N(C)C)cc1 95996386 HMFVWVVXOFSTFP-OAQYLSRUSA-N 440.548 1.902 0 40 IDAB COCC(=O)N1CCC2(CC1)O[C@H](C(=O)NCc1cccc(OC)c1)Cn1ccnc12 96036675 ZTBQTJFAXSNMRH-SFHVURJKSA-N 428.489 1.071 0 40 IDAB CN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(S(=O)(=O)c1cccc(F)c1)CC2 96143563 UCWICDWIJNCSIO-ZWKOTPCHSA-N 445.520 1.364 0 40 IDAB CN1CCN(CCCNC(=O)[C@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3cccnc3N2)CC1 100208217 OBGJYBUURDAWIC-QOYWPIMFSA-N 440.592 1.513 0 40 IDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCc1cccnc1OCC(F)(F)F 106020337 YSPNCKVGNLVOKF-UHFFFAOYSA-N 442.419 1.768 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 252427597 PTESZMAJJORWNU-IAGOWNOFSA-N 441.525 1.170 0 40 IDAB CN1C[C@H](C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)CC1=O 257321990 WEFDDFCTWURGEN-UMCMBGNQSA-N 429.561 1.155 0 40 IDAB C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1 408616199 XDGHFGKKTHKKPQ-HUUCEWRRSA-N 429.448 1.693 0 40 IDAB COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2snc(C(N)=O)c2N)cc1 6973658 NWQRWUKKNQBGRD-UHFFFAOYSA-N 431.518 1.929 0 40 IDAB CCN(CC)C(=O)Cn1c(=O)c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c1=O 9466878 PZHJEDWDAWXAOD-UHFFFAOYSA-N 435.484 1.918 0 40 IDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9671509 PKZWYELTGLOSIF-UHFFFAOYSA-N 438.513 1.298 0 40 IDAB CCN(CC)C(=O)CSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1 11612407 OSOAFNOEPLZHDH-UHFFFAOYSA-N 444.311 1.920 0 40 IDAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)C1=O 11859328 XUJNSFBYGDTHEB-MRXNPFEDSA-N 449.554 1.510 0 40 IDAB COc1cccc(OC)c1C(=O)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 12422818 BHEDLDDAHGNHHU-UHFFFAOYSA-N 447.557 1.581 0 40 IDAB O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12573244 NOVKMRILYFJQDB-UHFFFAOYSA-N 442.497 1.871 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 12693954 NKSMFZRVQZOVIL-SFHVURJKSA-N 431.558 1.848 0 40 IDAB COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2nc(C)c(C(=O)OC)s2)c1 12711900 OGKGUJZVIPPGTR-UHFFFAOYSA-N 448.486 1.731 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCCN2C(=O)c3ccccc3C2=O)C1=O 12994101 FHZXOXJDZLXODY-HSZRJFAPSA-N 434.452 1.951 0 40 IDAB Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@H]3C=CS(=O)(=O)C3)CC2)cc1 13690592 UJZNHPROQLJDSV-OFLPRAFFSA-N 426.560 1.507 0 40 IDAB Cc1ccc(-n2nnnc2SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1C 14169630 CDZCBQMBFNISMA-UHFFFAOYSA-N 443.577 1.138 0 40 IDAB COc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 15930326 ZHPKTQRWPACILQ-UHFFFAOYSA-N 448.497 1.378 0 40 IDAB CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCCOC)cc2c1 19824490 QPPCMTHYYFDADK-UHFFFAOYSA-N 448.589 1.582 0 40 IDAB Nc1cc(N)nc(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 20198399 LQUJOZIAJWCDRL-KRWDZBQOSA-N 444.542 1.438 0 40 IDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)C1=O 22914244 JFQBJCXOKSLZNH-HXUWFJFHSA-N 430.534 1.166 0 40 IDAB Cc1cc(CN2CCN(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)no1 22919611 QBBFMUKZPXAFDU-UHFFFAOYSA-N 447.561 1.524 0 40 IDAB NC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 35045162 XFSYKSOMKNFAOY-UHFFFAOYSA-N 436.921 1.384 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)o1 40087051 RGZWVCLQDPZLCI-UHFFFAOYSA-N 434.562 1.468 0 40 IDAB CCOC(=O)N1CCN(CC(=O)N2C(=O)[C@H]3CCCCN3C(=O)c3ccccc32)CC1 40386413 IADMKQGXSMQYOT-GOSISDBHSA-N 428.489 1.329 0 40 IDAB COC(=O)c1ccccc1NC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O 49409122 GOSWNKPEHRBEOA-UHFFFAOYSA-N 447.513 1.694 0 40 IDAB COc1ccc(CNC(=O)Cn2ccn(-c3ccccc3OC)c(=O)c2=O)cc1OC 67256456 RJRGWWHNZHQGCX-UHFFFAOYSA-N 425.441 1.341 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)CC1 70638522 JDOIKKSHSJGKPY-UHFFFAOYSA-N 438.531 1.545 0 40 IDAB C[C@H](c1nc(C2CC2)no1)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 72308917 CUZQYTMCPWWFJD-CYBMUJFWSA-N 441.554 1.575 0 40 IDAB CCOC(=O)C1=C(CN2CCO[C@H](C(=O)OC(C)(C)C)C2)NC(=O)N[C@@H]1c1ccco1 78972832 PCSQIPTYKNLCTO-DOTOQJQBSA-N 435.477 1.493 0 40 IDAB COc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc(OC)c1OC 85420757 DBJBXZBUIBMHFA-WBRFWCBQSA-N 441.440 1.934 0 40 IDAB CC(=O)Nc1ccc(N(C[C@@H](O)CNCCC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 95117141 YLTMSUCXWRWGHR-IBGZPJMESA-N 449.529 1.574 0 40 IDAB Cc1noc(C)c1CC(=O)NC[C@H]1CC[C@H](c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 100707173 RNLBVDCCDKLNBE-IYBDPMFKSA-N 439.516 1.870 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OC)c3OCC(N)=O)C2=O)o1 107609723 SFADHRXXLVEIRV-JYRVWZFOSA-N 429.385 1.032 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)CC1 222578131 BTUGZTWFDNBLCX-UHFFFAOYSA-N 427.523 1.542 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)s1 222708066 NOPPAZVSEZQQKB-UHFFFAOYSA-N 438.491 1.766 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 408713688 MPPLBKRNEVYIDN-UHFFFAOYSA-N 443.541 1.074 0 40 IDAB O=C(NCC(F)(F)F)[C@@H]1CN(Cc2ccnc(N3CCOCC3)c2)CC12CCOCC2 585101808 ANGWQEMCCDPBLL-KRWDZBQOSA-N 442.482 1.825 0 40 IDAB CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CNCC3=O)CC1 958317863 UPRUANRJIFBMHV-FPOVZHCZSA-N 426.561 1.354 0 40 IDAB COCCN1C(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCN2C12CCOCC2 1772595551 FHONMXJWWOYSER-QGZVFWFLSA-N 443.953 1.010 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@H]2CN(c3nccs3)C[C@@H]2C1 1888919668 IYWDCMICLRSNJM-IRXDYDNUSA-N 448.570 1.372 0 40 IDAB CC(C)N1CCOCCOc2ccc(C(=O)NC[C@H](O)CO)cc2Cc2cccc(c2)C1 2037949480 GGFYSHABUVXOEF-QHCPKHFHSA-N 442.556 1.980 0 40 IDAB CNC(=O)C[C@@H]1C(=O)N(c2ccc(OC)cc2)C(=S)N1NC(=O)c1cccc(F)c1 1240516 AZHZGJYNZSPKSW-MRXNPFEDSA-N 430.461 1.618 0 40 IDAB O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)CN(c1ccc(Br)cc1)CN=2 2247642 DEFNRXZAENXCQK-NXVVXOECSA-N 441.310 1.878 0 40 IDAB COc1ccc(OC)c(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)c1 2393686 YOWSGQIZAKBRNI-WQRHYEAKSA-N 425.441 1.806 0 40 IDAB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1 5734790 FAVCUUQOZGVLMI-ZCNNSNEGSA-N 433.417 1.298 0 40 IDAB COCCCNC(=S)N(CCCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6198465 ZBYZHCOHRZDBHN-UHFFFAOYSA-N 434.562 1.922 0 40 IDAB CN(C)Cc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 8298797 QBOPZTNBXXQEJE-QRQLOZEOSA-N 426.521 1.095 0 40 IDAB biogenic,in-vitro O=C(COC(=O)CCS(=O)(=O)c1ccccc1)NC(=O)c1ccc(OC(F)F)cc1 8638897 OVSJYLVSPGZRJA-UHFFFAOYSA-N 441.408 1.952 0 40 IDAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 8825304 VVUJIBXKDFNKAW-ZCRIDZFUSA-N 431.470 1.555 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)NC(=O)N[C@@H]1C 9493651 YEGUUUQFBIRWDI-ZBFHGGJFSA-N 429.473 1.139 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 12677103 PFNYVIHTEXNIAL-UHFFFAOYSA-N 436.559 1.501 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2)CC1)C(=O)O 12887248 BIRWOOLCRFITRA-NXHRZFHOSA-N 433.574 1.825 0 40 IDAB biogenic C[C@@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(S(N)(=O)=O)cc1 13011980 JIVNWTZVAYNJFX-CYBMUJFWSA-N 445.522 1.873 0 40 IDAB C[C@@H](C(N)=O)N1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 16587492 ZJHAXBKPMWANQJ-QMMMGPOBSA-N 445.166 1.936 0 40 IDAB COc1ccc(CC(=O)N2CC[C@@H](c3nc(O)c4c(n3)CN(C(C)=O)CC4)C2)cc1OC 19019090 NZBDVPDGPPOQGO-MRXNPFEDSA-N 440.500 1.663 0 40 IDAB O=C(CC[C@H]1CCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339557 HPVXQWRBIQVMKH-RBUKOAKNSA-N 437.544 1.998 0 40 IDAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 20020618 XSWFRIFIKGJNSP-INIZCTEOSA-N 434.514 1.972 0 40 IDAB COC(=O)c1ccccc1NC(=O)C1=CC(c2cccc(OC)c2)=NS(=O)(=O)N1C 20219992 BSNYEQKRLYLIBJ-UHFFFAOYSA-N 429.454 1.984 0 40 IDAB O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)NCCN3CCOCC3)ccc21 20765875 OJMYZRYXTAYKLJ-UHFFFAOYSA-N 429.542 1.890 0 40 IDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 22382037 WLVBCAOLTDLVJZ-UHFFFAOYSA-N 426.539 1.498 0 40 IDAB O=C(CN1CCN(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC1)N1CCCCCC1 22790128 CJDJHHUHEBBAHZ-FQEVSTJZSA-N 427.549 1.127 0 40 IDAB O=C(CN1CCN(CN2C(=O)NC3(CCCCCC3)C2=O)CC1)Nc1cccc(F)c1 22803324 INIYYVGQQARNHF-UHFFFAOYSA-N 431.512 1.984 0 40 IDAB COc1ccc(C(=O)N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)cc1 23056882 MRGVRJFKVOQKTP-WAIKUNEKSA-N 442.516 1.480 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O 32958179 RVQPSFVLKGHQBT-UHFFFAOYSA-N 443.548 1.793 0 40 IDAB O=C(CN1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1)N1CCOCC1 35310617 LYROQUISJSYISS-UHFFFAOYSA-N 445.523 1.913 0 40 IDAB O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)NCc1ccc2c(c1)OCO2 35506038 AGKAUSZLVOKKAZ-UHFFFAOYSA-N 446.419 1.937 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)nn(C(F)F)c3C)CC2)cc1 36615104 FFNFYHBTMHARRV-UHFFFAOYSA-N 448.517 1.899 0 40 IDAB CC(=O)CC(C)(C)NC(=O)CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 40161610 CHKCBFODXABNCY-UHFFFAOYSA-N 429.970 1.910 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@](C)(O)c3ccc(F)cc3F)C2=O)cc1 72285034 IYXUVHXMHFKKKJ-VXKWHMMOSA-N 447.438 1.764 0 40 IDAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2n[nH]c(=O)[nH]2)cc1OC 72306738 QBPGXRDNNJZGGK-UHFFFAOYSA-N 434.456 1.940 0 40 IDAB CS(=O)(=O)Nc1cccc(OCCNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1 95453595 RYJFXZHYUDXJLA-UHFFFAOYSA-N 444.513 1.732 0 40 IDAB C[C@H]1CN(CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)C[C@@H](C)O1 95459715 LVIHGPVJYXIAIX-IYBDPMFKSA-N 439.503 1.811 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(CC(N)=O)cc2)CC1 222621490 IOXLHYBTIDLQPW-UHFFFAOYSA-N 449.504 1.902 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 223670344 GLMYQFGNSRZLLJ-UHFFFAOYSA-N 427.456 1.464 0 40 IDAB CC(C)C[C@H](C(=O)Cc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 245242099 ZDSUGXMZPJTIJK-JGKKSEDXSA-N 430.526 1.667 0 40 IDAB Cc1cc(-c2nccn2C)nc(CC2CCN(C3CCN(S(C)(=O)=O)CC3)CC2)n1 257291559 QHNNKMQMGAFCST-UHFFFAOYSA-N 432.594 1.864 0 40 IDAB CCS(=O)(=O)N1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccc(OC)cc1)C2=O 306123725 AURCSUBMYZTJOH-IFMALSPDSA-N 445.541 1.637 0 40 IDAB CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC 408548043 CIFQVRRRDFKQIU-WUXMJOGZSA-N 426.809 1.356 0 40 IDAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705123 YLYLUYCEXXOOIO-CYBMUJFWSA-N 434.470 1.657 0 40 IDAB CC(=O)N1CCC(CC(=O)NCCCc2nc(C)no2)(N2Cc3ccccc3C2=O)CC1 1548349033 WTIJSZGECJKHJZ-UHFFFAOYSA-N 439.516 1.854 0 40 IDAB NC1(C(=O)NC(CCO)=C2C=C[C](Cl)C=C2)CCN(c2ncnc3[nH]ccc23)CC1 1560410694 FTMSMNCLJOAYRM-UHFFFAOYSA-N 427.916 1.905 0 40 IDAB Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCN(S(C)(=O)=O)CC3)CC[C@@H]2O)c1 2037946984 SSEVYIRFFMWFNO-OALUTQOASA-N 432.970 1.249 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)NC(C)(C)C)n2Cc2ccc(F)cc2)n(C)c1=O 930528 YLDAWCPWKRQFAO-UHFFFAOYSA-N 433.509 1.628 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 2803890 QNSCYXWTHPDLGV-UHFFFAOYSA-N 444.560 1.554 0 40 IDAB CCOc1ccccc1-n1nnnc1SCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 9173346 RVSKXEPZVIHFGP-ZDUSSCGKSA-N 425.536 1.189 0 40 IDAB CCc1cnc2c(c1OC)c(=O)n(CC(=O)Nc1ccc(OC)c(OC)c1)c(=O)n2C 9571546 LWFLFSKHIANHOB-UHFFFAOYSA-N 428.445 1.322 0 40 IDAB CCCCN(C)CCNC(=O)CCCCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O 9589688 OUQJHDLLUWEJAT-UHFFFAOYSA-N 446.548 1.885 0 40 IDAB Cc1ccccc1C(=O)N1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 9768040 WCWPVXQNTOCUNH-UHFFFAOYSA-N 429.542 1.854 0 40 IDAB CCCNC(=O)NC(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1CC 10201198 YRSDISUGFVSFAZ-UHFFFAOYSA-N 432.550 1.994 0 40 IDAB O=C(COc1ccccc1F)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1 11796084 AKZZZAYMLDXATJ-UHFFFAOYSA-N 435.521 1.863 0 40 IDAB Cn1cc(Cl)c([C@@H]2CCCCCN2S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)n1 12159729 AAJOKHAJTKTAON-HNNXBMFYSA-N 437.909 1.909 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCCC[C@H]2C)c2c(C(N)=O)nc(-c3ccsc3)nc21 12276838 PRFAEIPSQWHASS-GFCCVEGCSA-N 428.518 1.841 0 40 IDAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1S(=O)(=O)N(C)C 15754644 LSAGFRJHSBZDOK-CYBMUJFWSA-N 438.506 1.480 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)c(C)c1 16600188 PYEDDVVBLQDXOR-UHFFFAOYSA-N 448.545 1.001 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3cccc[n+]3[O-])CC2)cc1 18223745 XIDBMBRBYJPDEH-UHFFFAOYSA-N 435.527 1.148 0 40 IDAB Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@@H](c4nc5c(c(=O)[nH]4)CN(C)CC5)C3)c2c1 19221420 ANKXLUMADPDLGT-OAHLLOKOSA-N 437.500 1.380 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCN(C(=O)CCC4CCCC4)C3)[nH]c(=O)c2C1 19520424 CETBUYPDGJTHAY-INIZCTEOSA-N 436.578 1.764 0 40 IDAB Cc1c(S(=O)(=O)N2C[C@@H](c3ccnc(N4CCCC4)n3)[C@H](CN(C)C)C2)cnn1C 19553969 QHRJSCKCEGRGKU-IAGOWNOFSA-N 433.582 1.085 0 40 IDAB O=C([C@@H]1CCCO1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699876 KPRUKWZIOZFJHS-UXHICEINSA-N 440.544 1.743 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)Cn2cccn2)CCO1 19703020 AKQCLFPOKIHXNA-OAHLLOKOSA-N 429.502 1.469 0 40 IDAB Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1Cc1ccccc1 20517584 UDKOCSGQGNJVDJ-UHFFFAOYSA-N 436.516 1.147 0 40 IDAB CCN1CCN(c2ccc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)cc2C)CC1 24970663 HTOGVFWYYLQIMN-UHFFFAOYSA-N 429.546 1.573 0 40 IDAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 25197049 GPCUZVIGYWTURW-CMDGGOBGSA-N 438.572 1.705 0 40 IDAB CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OCC 33779113 MUJQXJKBGJHFLW-NTUHNPAUSA-N 440.836 1.746 0 40 IDAB CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)c1 36354309 YHZOIOGHRJAEPV-HNNXBMFYSA-N 444.513 1.887 0 40 IDAB C[C@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 39996341 DDCBQYBZGPXEIW-LBPRGKRZSA-N 441.893 1.873 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCn3ccnc3C)c2c1 40151687 ATVCRAZVRMQQTA-UHFFFAOYSA-N 445.545 1.884 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1CN(CCCO)Cc1nnnn1C1CCCC1)OCCO3 57640498 FAPOEDCZUYTOHP-UHFFFAOYSA-N 440.504 1.786 0 40 IDAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c1 58166949 PRAOSULDGYCSGA-RUDMXATFSA-N 445.457 1.667 0 40 IDAB O=C(NC[C@@H]1CCN(CCN2CCOCC2)C1)Nc1cccc(Cn2cccnc2=O)c1 58368731 FQMXHYUZQHTDNC-FQEVSTJZSA-N 440.548 1.067 0 40 IDAB Cc1c(C(=O)NCc2ccccc2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 69600322 QOTNRSZOFCYEIS-UHFFFAOYSA-N 425.514 1.823 0 40 IDAB O=C(NCCn1ccc2ccc(Cl)cc21)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 71282343 LFRVZSJMZOZSTH-OAHLLOKOSA-N 436.921 1.576 0 40 IDAB C[C@H](C(=O)N1CCN(C)CC1)N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326598 XABJNAFGVJLLLN-SZNDQCEHSA-N 433.940 1.367 0 40 IDAB COc1ccccc1[C@@H](O)Cn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)nn1 77100524 RAEMBMXZMSPXDR-FQEVSTJZSA-N 437.500 1.991 0 40 IDAB C[C@@H](NC(=O)CCc1ccc(Br)cc1F)C(=O)N1CCS(=O)(=O)CC1 78497174 RVOXGNXLCMNHBH-LLVKDONJSA-N 435.315 1.283 0 40 IDAB CCn1cc(S(=O)(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cn1 78737255 NHPKQOXEPSMFNI-UHFFFAOYSA-N 436.563 1.954 0 40 IDAB CCN1C[C@@]2(CC1=O)CN(C(=O)NCc1ccc(OC)cc1)CCN(C(=O)NC(C)C)C2 96143510 RVPNXXDOQZBUMZ-QHCPKHFHSA-N 445.564 1.879 0 40 IDAB Cn1cnc2c1[C@H](C(=O)N1CCN(c3ccncc3)CC1)N(C(=O)c1ccccc1)CC2 96147202 XVAVQCYVGGSEQN-JOCHJYFZSA-N 430.512 1.904 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C)CC(=O)c2ccco2)cc1C 97165166 UQTQLXYRUUOKNF-NVXWUHKLSA-N 449.529 1.587 0 40 IDAB COc1ccc(CNC[C@@]2(COc3ccc(S(C)(=O)=O)cc3)C[C@H](O)[C@H](O)C2)cc1 107430514 ZUPKXBNAVYGDAW-ZBYYUNFXSA-N 435.542 1.769 0 40 IDAB biogenic,in-vitro Cc1cccc(-c2noc(CNC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)n2)c1 219672108 WOZMUQRKYFZEII-UHFFFAOYSA-N 426.454 1.896 0 40 IDAB CN1C(=O)CO[C@H](C(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)[C@H]1c1ccccc1 223157047 QLZGDXAWTRKJFP-UXHICEINSA-N 431.514 1.615 0 40 IDAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 223792271 HCMJVNIXLQWDLL-UHFFFAOYSA-N 440.499 1.295 0 40 IDAB COc1ccc(NC(=O)COc2ccc(/C=c3\sc4ncnn4c3=O)cc2OC)cc1 256055511 JJPJDLXOPIAKEV-ZDLGFXPLSA-N 438.465 1.733 0 40 IDAB Cc1cnc(CNC(=O)[C@H]2C[C@@]3(CO2)CN(Cc2c(C)nc4ccccn24)CCO3)nc1 585102220 QHLFDHSBMKOGID-XXBNENTESA-N 436.516 1.417 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1 1251822040 MRPUXMNTXQEQDI-UHFFFAOYSA-N 429.424 1.965 0 40 IDAB CCOc1ccc(C(=O)NC[C@H]2OC[C@@H](n3cc(C)c(O)nc3=O)[C@@H]3OC(C)(C)O[C@@H]32)o1 2037977933 YFLGEMSFFVEJNX-QIJZBDPFSA-N 449.460 1.139 0 40 IDAB CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)CC2=CCCCC2)CC3)C1=O 2055795750 QEEZCFGJAHBTSZ-JOCHJYFZSA-N 437.606 2.000 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CN2CC(=O)Oc3ccccc32)c1 6147750 VHFVWHZHYVBOBU-UHFFFAOYSA-N 433.486 1.787 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2cccc(OC)c2)n1 6547405 NUGUUXLPHFDSML-UHFFFAOYSA-N 434.503 1.964 0 40 IDAB Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1 9156879 GXIKGWNPZVNNED-UHFFFAOYSA-N 436.560 1.835 0 40 IDAB CN(C(=O)CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 9302783 LZYBUUPWGWSNGK-MKRLJBPISA-N 426.491 1.898 0 40 IDAB CCN1CCC[C@H]1CNC(=O)CNC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3 9304070 FYIQJKBJDWEVII-AWEZNQCLSA-N 428.489 1.080 0 40 IDAB CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4cccnc4)CC3)nc21 9422379 XLFZFIUCUHUBTE-UHFFFAOYSA-N 439.501 1.424 0 40 IDAB C[C@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9671574 YPYIFIWNBAQYSB-AWEZNQCLSA-N 433.486 1.212 0 40 IDAB COc1ccc(C(=O)NCc2nnc3ccccn23)cc1S(=O)(=O)NC1CCCC1 9883540 FSRTVLVHVPPKNL-UHFFFAOYSA-N 429.502 1.889 0 40 IDAB COc1cccc(NC(=O)COc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)c1 10203275 SGOYHMRLZHCDEX-UHFFFAOYSA-N 447.513 1.430 0 40 IDAB CCOc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CC(=O)OC)c(=O)n(C)c3nc12 10271889 DVLCPTFWNIWSLK-UHFFFAOYSA-N 425.445 1.327 0 40 IDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 10366093 KVTYOJCSVNAXCW-UHFFFAOYSA-N 434.518 1.198 0 40 IDAB CCc1c(C)sc2nc(SCC(=O)NCC(=O)OC)n(C[C@@H]3CCCO3)c(=O)c12 11772510 BYQMEFALJGVYJM-LBPRGKRZSA-N 439.559 1.889 0 40 IDAB O=C(CSc1ncc2ccccn12)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12550532 AJDRSLCMTWBXSU-LJQANCHMSA-N 438.509 1.937 0 40 IDAB O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 13068297 JMGGKRPURIPQOS-LJQANCHMSA-N 445.585 1.799 0 40 IDAB CCOC(=O)C1CCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 14245907 SQXNYYZLCLLHGF-KRWDZBQOSA-N 437.562 1.183 0 40 IDAB O=C(NCc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 15935857 XHNWCEFTLFADJV-MRXNPFEDSA-N 444.492 1.519 0 40 IDAB Cc1nnc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1-c1ccccc1 16046462 FOMGAHGHJVTFPE-UHFFFAOYSA-N 428.518 1.649 0 40 IDAB O=S1(=O)CC[C@@H](S(=O)(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CC3)CC2)C1 19332764 ARQQYBBQSYNXOU-GOSISDBHSA-N 447.022 1.943 0 40 IDAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)NC[C@H]2CCCO2)s1 20486138 RVELTOKXBAMYBM-KGLIPLIRSA-N 426.520 1.792 0 40 IDAB CCCCN(C(=O)COC(=O)c1cnc2c(cnn2C(C)C)c1)[C@H]1CCS(=O)(=O)C1 22613473 FJSWORBYMMHDAE-KRWDZBQOSA-N 436.534 1.985 0 40 IDAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)nc1 22976611 MBBJPKFSIGNKCO-HXUWFJFHSA-N 444.557 1.311 0 40 IDAB CCN(CC(=O)NCc1cccs1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 23805515 LJAIOIFXERQEEQ-NRFANRHFSA-N 428.514 1.680 0 40 IDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(O)c1)n2CCN1CCOCC1 23866037 XGEIONJEAFBZQQ-UHFFFAOYSA-N 429.477 1.010 0 40 IDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(c2cc(C(N)=O)c3ccccc3n2)CC1 32829896 WIZSJYWXTUWXAO-UHFFFAOYSA-N 431.562 1.965 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 40141952 RAXDYYJLTYUTHZ-UHFFFAOYSA-N 439.925 1.447 0 40 IDAB O=C(CCCn1cncn1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 40142993 FDCXSKVKENGYBG-UHFFFAOYSA-N 447.439 1.490 0 40 IDAB O=C(NCCS(=O)(=O)Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)o1 48325024 FHVPEYUWDFQNNG-UHFFFAOYSA-N 426.516 1.409 0 40 IDAB O=C1C[C@@H](N2CCC(NS(=O)(=O)c3cccs3)CC2)C(=O)N1Cc1ccccc1 72305678 GMEBCTAJIFVAGZ-QGZVFWFLSA-N 433.555 1.819 0 40 IDAB Cc1cc(C)n2ncc(C(=O)N3C[C@H]4CCc5c(nc(N6CCCC6)[nH]c5=O)[C@H]4C3)c2n1 72336075 ZQJHZMGHTSLWMJ-QAPCUYQASA-N 433.516 1.832 0 40 IDAB COc1ccc(OCCc2cc([C@@H]3CCN(S(=O)(=O)N4CCOCC4)C3)n[nH]2)cc1 72371303 BTECQWYZEHFVQO-MRXNPFEDSA-N 436.534 1.406 0 40 IDAB N[C@](OC(=O)C(=O)O[C@@](N)(c1ccccn1)C(F)(F)F)(c1ccccn1)C(F)(F)F 95917991 NCBOLAYHSLYFOO-KBPBESRZSA-N 438.284 1.611 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(-n3ccnc3)cc2)cc1OC 225558758 SPPDZAAPKLOADC-UHFFFAOYSA-N 444.513 1.826 0 40 IDAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)COc3ccc4c(c3)cc(C)n4C)[C@H]2O)CC1 257220375 DKOWPXVKVVWCEC-CQOQZXRMSA-N 442.560 1.380 0 40 IDAB Cc1ccc(CNC(=O)CS(=O)(=O)c2nnc(COc3ccccc3)n2C)cc1F 507501915 QFLRRQHJXKNEJQ-UHFFFAOYSA-N 432.477 1.932 0 40 IDAB O=C(c1cnc2c(c1)c(O)nc(=O)n2C1CC1)N1CCS(=O)(=O)C2(CCCCC2)C1 531005054 IBQZJIRQRSEDSE-UHFFFAOYSA-N 432.502 1.406 0 40 IDAB O=S1(=O)C[C@H](O)[C@@H](N(c2cccc(O)c2)S(=O)(=O)c2cccc3cccnc23)C1 575426040 LFCCSZVGFSNALC-IRXDYDNUSA-N 434.495 1.294 0 40 IDAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)Cc3ccccc32)cn1 575618170 DYAWDAKJXYWQKH-HXUWFJFHSA-N 426.498 1.621 0 40 IDAB COc1cc(CN2C[C@H](CC(N)=O)[C@H](OC(=O)c3ccccc3)C2)ccc1OCCO 643586742 AQKBFQDCMCWUEH-GHTZIAJQSA-N 428.485 1.599 0 40 IDAB CNC(=O)c1cccc([C@@H]2CN(C(=O)[C@](F)(Cc3ccccc3)NC(C)=O)CCN2C)c1 1848352681 MZPWWMBTNLOLGB-URXFXBBRSA-N 440.519 1.906 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5ccc(C)cc5)C[C@H]4C3)ncnc21 1888944389 ZEMZVGGDWIUBCT-IAGOWNOFSA-N 442.545 1.538 0 40 IDAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCCCO)cc1OC 2504157 FRDKAKOTHYQKFC-UHFFFAOYSA-N 427.461 1.143 0 40 IDAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccncc2)(C(F)(F)F)C(=O)N3)cc1 3622957 LXZWANOZNMYUCL-IBGZPJMESA-N 445.357 1.369 0 40 IDAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCOCC2)c1 9139226 RUIMNHZWFBZVJR-MRXNPFEDSA-N 444.509 1.842 0 40 IDAB NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCCC1 9378064 HROPKPKCXNHESO-MRXNPFEDSA-N 439.534 1.209 0 40 IDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 9465494 YAJGNVLBZJLWPU-RYUDHWBXSA-N 429.520 1.890 0 40 IDAB Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@H]1CNC(=O)C(=O)NCc1ccccc1 9577636 YZPAPMWZWXPBFH-IBGZPJMESA-N 449.504 1.304 0 40 IDAB CCOC(=O)C1CCN(C(=O)COCC(=O)N2CCN(c3ccccc3F)CC2)CC1 9907320 LJQUZMDMVUQHPD-UHFFFAOYSA-N 435.496 1.293 0 40 IDAB CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1cc(C(F)(F)F)ccc1Cl 10283634 ODOCWACNABKORR-UHFFFAOYSA-N 427.832 1.425 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc(F)cc2)cc1 10284324 HPHFGWSRMMXOTC-UHFFFAOYSA-N 449.504 1.720 0 40 IDAB CCOc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C 12689503 KHGBWFOHJJNANQ-UHFFFAOYSA-N 430.486 1.753 0 40 IDAB CC(C)CN(C(=O)COC(=O)c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12918066 HAUNFTKWRLSPAS-UHFFFAOYSA-N 440.456 1.606 0 40 IDAB O=C(CNC(=O)c1cccs1)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 12937566 YFHYLVYHAFKJNA-UHFFFAOYSA-N 428.514 1.015 0 40 IDAB C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 12985728 SCYXJNSTSURFRK-QGZVFWFLSA-N 445.541 1.642 0 40 IDAB Cn1c(Cc2cccs2)nnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 14095477 OSEWYEFDCXBYGK-UHFFFAOYSA-N 433.559 1.747 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15959442 OJLSSLQLXZDJDV-DJXPEODFSA-N 433.508 1.647 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 16682736 HQLMXWABOYTRSB-UHFFFAOYSA-N 432.926 1.771 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19520470 MQNJYQLPVAVLHD-QGZVFWFLSA-N 431.518 1.240 0 40 IDAB COC(C)(C)C(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 19693027 RQOBGRQFSJSCMQ-KRWDZBQOSA-N 427.505 1.633 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(S(=O)(=O)c3ccc(F)cc3)C1)C2=O 19700776 RACOYXHSZRLLBV-MRXNPFEDSA-N 438.525 1.385 0 40 IDAB O=C(NCCO)c1sc2ncccc2c1[C@@H]1CN(C(=O)CN2CCCCCC2)CCO1 19702957 ZZFCLPCMMDOOBI-KRWDZBQOSA-N 446.573 1.794 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N(C)CCc1ccncc1 19821053 UWUWPTMVACQKTE-PXNSSMCTSA-N 438.571 1.512 0 40 IDAB C[C@@H]1[C@@H](NC(=O)c2cncnc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCOCC3)[C@H](O)[C@@H]12 20467265 KCZJYTJPXOCHNF-ILRDCQBQSA-N 444.576 1.893 0 40 IDAB biogenic,in-vitro O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@@H](O)c1ccccc1 20739068 CDRUFNNWRBEJEQ-DLBZAZTESA-N 425.441 1.466 0 40 IDAB COCCN1C(=O)[C@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20757627 WDTCIIAPTUSGIT-IZZGNVEXSA-N 444.491 1.777 0 40 IDAB CCOC(=O)C1=C(CSc2nnc(COc3cc(C)cc(C)c3)n2N)NC(=O)NC1 31760415 VASDQDHGWDJYNJ-UHFFFAOYSA-N 432.506 1.410 0 40 IDAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 32910070 PLJTWSFAMZMHKM-GASCZTMLSA-N 442.509 1.793 0 40 IDAB COC(=O)c1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1 39888792 IZPGSKPMBLFKMD-KRWDZBQOSA-N 441.484 1.901 0 40 IDAB COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1 56997854 SROSTHZEVNKSQB-UHFFFAOYSA-N 428.464 1.489 0 40 IDAB CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2nncs2)[C@@H](C(=O)Nc2nncs2)C1 95992978 KEMDGWGXDVQCNY-IUCAKERBSA-N 425.496 1.450 0 40 IDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 96221944 VTAPNXIZDIJZCT-QYZOEREBSA-N 434.496 1.695 0 40 IDAB biogenic CN1CCc2cc([C@@H](O)CNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)ccc21 96363015 PHYMCAJYTFUKCL-NRFANRHFSA-N 436.512 1.984 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 101023762 JYIPTUZFIYWGCV-RFZJPIJTSA-N 429.381 1.071 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 101452018 XNXNWJFYULHZJU-UKDJSQQHSA-N 447.491 1.589 0 40 IDAB O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(N2CCOCC2)cc1 102128405 XCDVXHZMVBBPNJ-OALUTQOASA-N 443.500 1.570 0 40 IDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 102840071 LOKZQFOKXNEFLC-ROUUACIJSA-N 431.514 1.751 0 40 IDAB Cn1nc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)cc1CCOc1ccc(F)cc1 257331754 XUCQRRVOWGVZLJ-HXUWFJFHSA-N 438.525 1.895 0 40 IDAB COc1cccc(OC[C@H](O)CN(C)S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)c1 257342484 ZOWASZVJNVBRIL-GFCCVEGCSA-N 435.458 1.110 0 40 IDAB Cn1nccc1C(=O)N1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccccn1)C2=O 306131508 KGWAXGQHJAUKSD-WMZHIEFXSA-N 432.484 1.248 0 40 IDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2c[nH]c4ccccc24)C3)n1 306143607 YGTFPNYTXOPOTG-HNNXBMFYSA-N 426.498 1.975 0 40 IDAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704979 WPHAHGDGUSHRMP-QGZVFWFLSA-N 445.541 1.961 0 40 IDAB Cc1nc2n(n1)C[C@@H](NC(=O)N1CCN(CC(=O)Nc3c(C)cccc3C)CC1)CC2 589227426 BAZAIKVUXKDWCT-SFHVURJKSA-N 425.537 1.484 0 40 IDAB C[C@](O)(CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)Cc1ccsc1 618255948 AUNRINBZRDCWKD-GOSISDBHSA-N 444.600 1.950 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccc(C)cc5)C[C@@H]4C3)ncnc21 1888944390 ZEMZVGGDWIUBCT-IRXDYDNUSA-N 442.545 1.538 0 40 IDAB Cn1c(N)c(C(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c(=O)n(C)c1=O 3378602 BCJPQMHRJUWAKF-UHFFFAOYSA-N 441.300 1.733 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5084900 JCKOUAWEMPKIAT-DEPCRRQNSA-N 440.470 1.862 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nc1 8705423 NTENRVAACWKHJL-HXUWFJFHSA-N 431.562 1.461 0 40 IDAB CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CCC(=O)O)C(=O)O 8876713 FOYFLALCUWRAIR-BNLOLNQZSA-N 434.449 1.004 0 40 IDAB biogenic CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccc(OC)cc1 9183796 GYCCIRBUWKNYKX-ZWKOTPCHSA-N 438.488 1.014 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1=O 9313648 FZALQALWGCRZNC-QFIPXVFZSA-N 438.440 1.629 0 40 IDAB O=C([C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1)N1CCN(c2ccccn2)CC1 9420963 MWBYGXZRXRHRRM-CQSZACIVSA-N 426.912 1.967 0 40 IDAB O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(Br)cc1 12802134 LRPLETBXTIDYAK-UMVBOHGHSA-N 430.324 1.795 0 40 IDAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)c3ccccc3)ccc12 12902564 QHHBVIGRDJSDLL-QKKBWIMNSA-N 438.436 1.927 0 40 IDAB biogenic CC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)C2=O 13041096 AYHXOVFGEVJYME-ASNBIDDJSA-N 447.557 1.703 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N2CCN(Cn3nnc4ccccc4c3=O)CC2)cc1 13059060 MUXMRJFCMSROOU-UHFFFAOYSA-N 427.530 1.879 0 40 IDAB CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc3cc(OC)c(OC)cc3n2C)CC1 13692697 QQJSVWKPXUMVCW-UHFFFAOYSA-N 432.477 1.226 0 40 IDAB CCN1CCN(c2ccc(NC(=O)CSc3nnc(C(F)(F)F)n3N)cc2)CC1 14902390 CLYQZWLRVABDBJ-UHFFFAOYSA-N 429.472 1.883 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C 16525328 HUNBVAXILMBJPJ-UHFFFAOYSA-N 437.493 1.746 0 40 IDAB CC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3cccc(C)c3)CC1)C2=O 19699341 XXAHPVXFENRNCF-UHFFFAOYSA-N 426.517 1.461 0 40 IDAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)C1=O 19797481 RSACHCZSIPEIOQ-UHFFFAOYSA-N 429.502 1.142 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245830 VZXGXCAYYBNQRD-UHFFFAOYSA-N 434.518 1.558 0 40 IDAB COc1cccc(CSc2nc(C)c(CC(=O)N3CCC(C(N)=O)CC3)c(=O)[nH]2)c1 23138511 UKOQSSQOEAXSKV-UHFFFAOYSA-N 430.530 1.646 0 40 IDAB NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)o2)CC1 35597414 TWKVVFWWZBCFDF-UHFFFAOYSA-N 446.529 1.128 0 40 IDAB O=C(Nc1cc(-c2ccco2)nn1CCO)c1ccc(S(=O)(=O)N2CCOCC2)cc1 42384638 RIAZKABZXILJDS-UHFFFAOYSA-N 446.485 1.409 0 40 IDAB CCOC(=O)CSc1cncc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)n1 79057953 CQQSIVQGZWLXIY-UHFFFAOYSA-N 440.529 1.691 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)n(C)c1 95348787 TXMYEACBJCOTBC-IBGZPJMESA-N 433.530 1.796 0 40 IDAB O=S1(=O)CC[C@H](NC2CCN(S(=O)(=O)c3ccc(Cl)c4ncccc34)CC2)C1 97163881 DEZCPEOPYSXARM-AWEZNQCLSA-N 443.978 1.818 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H]4C=C[C@@H]3C43CC3)nc2C1 100238756 GELJSTNBFHRIHU-DNMXQMFDSA-N 444.557 1.766 0 40 IDAB COc1ccc(CCNC(=O)C(=O)N[C@H]2C(=O)N(C(C)C)c3ccccc32)cc1OC 101431940 GIUJARYHFUTRAN-HXUWFJFHSA-N 425.485 1.975 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)/N=c3\cc[nH]n3[C@H](C)C3CC3)c2)CC1 101442904 AKTSTBCYFFXNFM-DXPKEERLSA-N 445.545 1.381 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 223163324 KGIYRCLEUVALPJ-UHFFFAOYSA-N 441.531 1.350 0 40 IDAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCOCC2)cc1OC 223868048 NLXXYYVRGWRIHQ-MNDPQUGUSA-N 443.500 1.906 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)s1 225063279 VWGWLTUUXXGPFQ-LBPRGKRZSA-N 432.549 1.720 0 40 IDAB Cc1cc(N2CC[C@@](O)(CNC(=O)C3(Cc4cccc(F)c4)CCN(C)CC3)C2)ncn1 257216490 CUSJOCHXODLSRT-XMMPIXPASA-N 441.551 1.936 0 40 IDAB Cc1cc(C)n(-c2cc(OCC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)ncn2)n1 1775973413 AUKINWRBIINYFC-UHFFFAOYSA-N 431.522 1.492 0 40 IDAB O=C(/C=C/c1cccs1)N1CCC2(CC1)O[C@@H](C(=O)N1CCOCC1)Cn1ccnc12 2055795687 DVIICJKYAQPCHZ-OAJJDEHYSA-N 442.541 1.733 0 40 IDAB COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccc(F)cc2)CC1 8635651 PVKMWOKJRARHSN-CNNODRBYSA-N 449.640 1.769 0 40 IDAB biogenic,in-vitro Cc1c(CC(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)O)c(=O)oc2cc(O)ccc12 8876451 JTQLALMTODKNTM-GOSISDBHSA-N 438.436 1.278 0 40 IDAB biogenic CNC(=O)[C@H]1CN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c2ccccc2O1 9220427 XKGCRTVXQGLLHY-OAHLLOKOSA-N 436.390 1.172 0 40 IDAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1=O 9313649 FZALQALWGCRZNC-JOCHJYFZSA-N 438.440 1.629 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)n(C)c1=O 9367314 BBYXYJNXJRRQCJ-UHFFFAOYSA-N 448.487 1.057 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 9466608 PSPYQUFUDHDPOV-UHFFFAOYSA-N 446.572 1.921 0 40 IDAB Cc1c(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(=O)oc2cc(O)ccc12 9488004 XURSOGUEBOCJCB-UHFFFAOYSA-N 430.482 1.746 0 40 IDAB COc1ccccc1-c1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 9517543 CTDIDLPCTNRGON-UHFFFAOYSA-N 441.513 1.417 0 40 IDAB COCCNC(=O)CSc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)s1 9517900 UFJGAQQDDKZNOH-ZDUSSCGKSA-N 449.558 1.693 0 40 IDAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1S(=O)(=O)N1CCOCC1 9641144 WVFMFLNOIRTDLL-VQHVLOKHSA-N 445.497 1.467 0 40 IDAB C[C@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(-n2ccnc2)cc1 9672164 RUJQFJGVODVHDX-HNNXBMFYSA-N 435.488 1.277 0 40 IDAB CCCc1n[nH]c(=S)n1CC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 10771581 UYDYXDWFVYTBBP-UHFFFAOYSA-N 427.534 1.474 0 40 IDAB CCCn1c(=O)n(CC(=O)Nc2ccc(C)c(F)c2)c(=O)c2c1nc(C)n2CCOC 10884479 QQSCYFURZNDUID-UHFFFAOYSA-N 431.468 1.811 0 40 IDAB C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1 12144278 CPHJETNWTIGJRT-QGZVFWFLSA-N 425.533 1.792 0 40 IDAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 12240628 ATIUPTXTUKAXII-ANQUJSFKSA-N 436.578 1.655 0 40 IDAB CCCn1nc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c2ccccc2c1=O 12396276 AHUHRNSMNSFVTK-UHFFFAOYSA-N 425.533 1.577 0 40 IDAB O=C(Cn1cc(I)cn1)n1cc(I)cn1 12428310 CJIKSDRSPHIXRV-UHFFFAOYSA-N 427.971 1.629 0 40 IDAB COc1ccc(C2=NN(C(=O)CN(C)CC(=O)N3CCOCC3)[C@@H](c3ccco3)C2)cc1 12684117 SMONKWBWKXUYKR-HXUWFJFHSA-N 440.500 1.757 0 40 IDAB COC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 12906143 UEXXPOXWNIUNGN-UHFFFAOYSA-N 438.527 1.310 0 40 IDAB CCOC(=O)C1CCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 14245908 SQXNYYZLCLLHGF-QGZVFWFLSA-N 437.562 1.183 0 40 IDAB O=C(NCCNC(=O)c1nc(Cn2cc(Br)cn2)no1)c1cccc(F)c1 15082732 AZRMKWYDJJVTLY-UHFFFAOYSA-N 437.229 1.376 0 40 IDAB COc1cccc(CCNC(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 19564594 FRMCRHVLIKVGEK-HSZRJFAPSA-N 437.500 1.313 0 40 IDAB CN(C)c1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@H]2CCCN2)n1 19760363 UIJLEMZLNYAUBN-MRXNPFEDSA-N 433.534 1.559 0 40 IDAB CCn1cc(S(=O)(=O)N2CCO[C@H](c3cc(C(=O)NC)c4ccccc4n3)C2)c(C)n1 19762162 MQYHOBPXUIAMLQ-IBGZPJMESA-N 443.529 1.881 0 40 IDAB COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)[nH]c2c1 19940402 DKXHJFUPSILEGJ-OAQYLSRUSA-N 432.484 1.993 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 22976532 HERCLQULQUUBBK-IBGZPJMESA-N 434.514 1.961 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 23135019 HPECIXUOVICASQ-UHFFFAOYSA-N 441.517 1.127 0 40 IDAB CN([C@@]1(c2ccccc2Cl)CCCCC1=O)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 32811055 FIBRIIIOEWRDTA-LJQANCHMSA-N 439.921 1.397 0 40 IDAB O=C(CNc1ccccc1-n1cccn1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 32932730 HEMMVHXZMJBYPX-UHFFFAOYSA-N 441.513 1.944 0 40 IDAB Cc1oc(-c2cccs2)nc1CC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 40089312 TZZUBXPNODNBOB-STQMWFEESA-N 427.548 1.809 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 56907954 UUEZWHNENQZNQB-RBUKOAKNSA-N 446.573 1.976 0 40 IDAB C[C@@H](NC(=O)c1cc(C2CC2)nn1C)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 72394937 BQWDBPJGDLXGSL-QAPCUYQASA-N 425.533 1.767 0 40 IDAB CC(=O)c1ccc(N2CCN(CC(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 89292066 BECXRYYXFXIRKN-GOSISDBHSA-N 437.537 1.328 0 40 IDAB NC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2OCCN2CCCC2=O)C1 257314189 UVRMIRHMNMUSES-XMMPIXPASA-N 436.512 1.742 0 40 IDAB CCN(CC(=O)N1C[C@H](C(=O)OC)Oc2ccccc21)S(=O)(=O)c1ccc(C)cc1 260731484 FFZFQSSEPNPMNA-LJQANCHMSA-N 432.498 1.973 0 40 IDAB CS(=O)(=O)N1C[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)Oc2ccc(Cl)cc21 260910165 XBLKHFGPSLHDDS-FZKQIMNGSA-N 438.889 1.823 0 40 IDAB COC(=O)c1cccc(CN2C[C@H]3C[C@@H](O)CN3C3(C2)CN(C(=O)c2ccccc2)C3)c1 514288804 FFBGZSZCPTUZSG-FGZHOGPDSA-N 435.524 1.619 0 40 IDAB biogenic,in-vitro CN(C)C1CCN(c2ccc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)nc2)CC1 675665757 USFQXSNNOHXQDI-UHFFFAOYSA-N 431.562 1.831 0 40 IDAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)c5cn(C(C)C)cn5)C[C@H]4C3)nn12 1888926458 MIXSKDKBLPBDNO-HUUCEWRRSA-N 430.538 1.221 0 40 IDAB CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@@]12C(=O)Nc1cc(Br)ccc12 1246777 APZLASSTPVKXLO-SFHVURJKSA-N 437.246 1.850 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 2709789 CJDCIAOTTGMPGW-UHFFFAOYSA-N 439.515 1.522 0 40 IDAB COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(c2nc(C)cc(C)n2)CC1 5002380 PRAYNUIMLMVEEH-FQEVSTJZSA-N 425.533 1.934 0 40 IDAB CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NC[C@@H]1CCCO1 6198576 WDKMWWJAYFRUHV-INIZCTEOSA-N 432.546 1.674 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)n(C)c1=O 8778676 PQGYCMSWOJXLCU-UHFFFAOYSA-N 438.484 1.908 0 40 IDAB O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9061189 KCPMKXWWYKUNKZ-SFHVURJKSA-N 442.541 1.926 0 40 IDAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 9095555 CEQJLJJHNXNPKA-AWEZNQCLSA-N 447.513 1.994 0 40 IDAB Cc1nc(Cc2nnc(SCc3nc4ccccc4c(=O)n3CC(N)=O)o2)cs1 9604010 DKPBRTAVWWYLFQ-UHFFFAOYSA-N 428.499 1.913 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(C)c(Cl)c2)n(C)c1=O 10104852 POGXOUPABFLQSO-UHFFFAOYSA-N 431.880 1.963 0 40 IDAB Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1-c1ccc(C(F)(F)F)cc1 10271915 UONKRNBXAFAXRL-UHFFFAOYSA-N 434.378 1.260 0 40 IDAB COC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 10542177 JLWMMDZTVWSUSM-UHFFFAOYSA-N 430.910 1.386 0 40 IDAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1 10688985 XIAGCQRXNSYUSK-MRXNPFEDSA-N 438.550 1.052 0 40 IDAB COc1cccc(CCNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1 11905964 ZXVSEABLKKUPJH-UHFFFAOYSA-N 438.527 1.591 0 40 IDAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)O1 12779004 SXFKDXCDPNNWBN-HUUCEWRRSA-N 428.489 1.739 0 40 IDAB CCCCn1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C 13539791 HSDMLCMKHRREGR-UHFFFAOYSA-N 428.512 1.695 0 40 IDAB COc1ccccc1CNC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 13554563 YXGJMEQDANLPBV-HOCLYGCPSA-N 439.468 1.598 0 40 IDAB COC(=O)COc1c(Br)cc(/C=C2\NC(=O)NC2=O)cc1Br 15012868 YEGSUKPRYDRGMM-WTKPLQERSA-N 434.040 1.944 0 40 IDAB CCc1[nH]c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(C)c1C(=O)OC 16179840 FHXGDUKWHIBDMI-UHFFFAOYSA-N 443.529 1.700 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(N2CCCC2=O)cc1 20483304 ALKJCMXOFIBTNY-UHFFFAOYSA-N 449.554 1.815 0 40 IDAB O=C([C@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCN(c2cnccn2)CC1 25343985 UJFIWNQXXGQSDM-AWEZNQCLSA-N 430.306 1.941 0 40 IDAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)Oc2ccccc21 26112822 FWPADIVZJHXULN-SFHVURJKSA-N 430.486 1.433 0 40 IDAB O=C([C@H]1COc2ccccc2O1)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 32738497 OTYURIFBZMDBTI-OAQYLSRUSA-N 435.480 1.657 0 40 IDAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-n4ccnc4)nn3)cc2)n1 77197091 JGMBNALFROYXSR-UHFFFAOYSA-N 436.457 1.814 0 40 IDAB COc1ccc(S(=O)(=O)N2CCSC[C@H]2S(C)(=O)=O)cc1Br 78932608 VLALNNIMEURURO-GFCCVEGCSA-N 430.367 1.566 0 40 IDAB Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4nc(N)ns4)CC3)c2c1C 79061726 ZPZJRLJESBSROA-UHFFFAOYSA-N 446.606 1.901 0 40 IDAB Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1C 79105813 FUGCNLIGSKHXFE-UHFFFAOYSA-N 430.486 1.597 0 40 IDAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 84637073 JSDDLXGXAQHGDV-YWZLYKJASA-N 433.530 1.413 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3)C2)c(OC)c1 408653111 IBCVHGJOMZGIIM-HNNXBMFYSA-N 441.440 1.379 0 40 IDAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCC(=O)O 408918394 JYCYJZDTICJINF-RUDMXATFSA-N 432.170 1.334 0 40 IDAB COCCn1c(NC(=O)CCc2cnn(C)c2C)c(NCc2ccccc2)c(O)nc1=O 533959189 RVJMTLZSLYSCCP-UHFFFAOYSA-N 440.504 1.821 0 40 IDAB CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)CCS(C)(=O)=O)N2Cc2ccccc21 1565556748 ZXZAYAFAQLXGDR-QZTJIDSGSA-N 436.578 1.509 0 40 IDAB CO[C@H]1CN(C(=O)Cc2ccc(C)nc2)CCCCc2ccccc2OC[C@@H](O)[C@H]1O 2037972568 BSPLQSFHXAEIQV-JCTONOIOSA-N 428.529 1.913 0 40 IDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 931252 YXHKYCUPYONBDS-OAHLLOKOSA-N 432.564 1.681 0 40 IDAB O=C(NCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363923 OPEUXPMXYDDHQN-GOSISDBHSA-N 440.529 1.422 0 40 IDAB COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)O)c(C(=O)OC)c1C 3296772 YTJKBBDBJDDGEQ-QMMMGPOBSA-N 425.506 1.114 0 40 IDAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)N1CCc2ccccc21 3450237 RQMPGRJGGVZUNS-UHFFFAOYSA-N 427.482 1.638 0 40 IDAB COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 10440785 FGYSDOILDIEFOC-UHFFFAOYSA-N 434.470 1.755 0 40 IDAB Cc1cccc(N2CCN(C(=O)COC(=O)c3sccc3S(N)(=O)=O)CC2)c1C 10489213 NJVFEDIVNGEALZ-UHFFFAOYSA-N 437.543 1.518 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2C)cc1 12557035 ORVULNYUMGQHKD-MRXNPFEDSA-N 438.527 1.721 0 40 IDAB COc1ccccc1COC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 13134040 WXRSAOYOHZGLNR-IBGZPJMESA-N 438.521 1.718 0 40 IDAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3C(N)=O)cc2)C1=O 13690594 HVKYCGJSJKWAEN-UHFFFAOYSA-N 437.499 1.289 0 40 IDAB COc1ccc([C@H](NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2nccn2C)cc1 16475823 ROUPUAUQEBFNMN-SFHVURJKSA-N 425.489 1.889 0 40 IDAB Cc1cc(C)n(CC(=O)N2CCO[C@H](c3c(C(N)=O)sc4ccccc34)C2)c(=O)n1 19697790 HQLCYRAMXRVYQK-HNNXBMFYSA-N 426.498 1.774 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)CN2CCCC2)CCO1 19702953 PZSBVLPIUJBFJZ-MRXNPFEDSA-N 432.546 1.668 0 40 IDAB CN1CCN(C(=O)CSc2nnc(CCNC(=O)c3ccc(Cl)cc3)n2C)CC1 19852356 DDXQNSVUTMKLEH-UHFFFAOYSA-N 436.969 1.307 0 40 IDAB COCCNS(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)ccc1OC 23609557 CRSMXANVTNVSMG-UHFFFAOYSA-N 440.547 1.317 0 40 IDAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)NC(=O)NCc1cccs1 24509848 RWOBVDWTGIOWHC-UHFFFAOYSA-N 432.527 1.959 0 40 IDAB CCN(CC)c1nc(Oc2ccc(=O)n(Cc3ccccc3)n2)nc(N2CCOCC2)n1 27666713 XQQDJBYZSQNOFJ-UHFFFAOYSA-N 437.504 1.952 0 40 IDAB Cc1ccc2nc(C)c(C(=O)N3CCN(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)CC3)cc2c1 30664397 PMCRSZABHXRYRV-CALCHBBNSA-N 446.573 1.963 0 40 IDAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1ccccc1NS(C)(=O)=O 32595850 RVFHTGPOSNUGCT-CSKARUKUSA-N 426.472 1.965 0 40 IDAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)c2)c1C 48287018 BJAQJPUPHOGPPA-INIZCTEOSA-N 449.533 1.903 0 40 IDAB O=C(NCCn1ccnc1-c1ncccn1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 96103904 GRDXATPMJDSSJH-UHFFFAOYSA-N 440.529 1.945 0 40 IDAB Cc1nc(CN2CCN(C)C(=O)C23CCN(S(=O)(=O)c2ccccc2)CC3)cs1 96230303 DUKBLKYMHJRJNB-UHFFFAOYSA-N 434.587 1.949 0 40 IDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 105352140 OPNZIEVNEBUACP-CFGYMJCHSA-N 436.306 1.349 0 40 IDAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)COc1ccc(CN2CCCC2)cc1 257256817 KNALJHMGBZKSRI-XMMPIXPASA-N 439.560 1.941 0 40 IDAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1ccc2c(=O)n(C)c(=O)n(Cc3ccccc3)c2n1 257280415 OKTDVKFOQKHACB-HXUWFJFHSA-N 449.511 1.333 0 40 IDAB Cc1cn([C@@H]2CN(C(=O)Cn3c(CC(C)C)nc4ccccc43)C[C@H]2O)c(=O)nc1O 257321537 WCCALOZMGRGCTP-QZTJIDSGSA-N 425.489 1.250 0 40 IDAB COc1ncccc1CN1CC[C@@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 306139519 SZFYWAMTTXMANU-OAQYLSRUSA-N 440.529 1.169 0 40 IDAB CN1C[C@@H](C(=O)NCCc2ccccc2)OC2(CCN(C(=O)c3ccn(C)n3)CC2)C1 306143383 YAVBGFSRUAWSGT-FQEVSTJZSA-N 425.533 1.084 0 40 IDAB Cc1c(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)nnn1-c1ccc2c(c1)OCCO2 596735107 GOHWLZKCJVETLQ-QFIPXVFZSA-N 448.439 1.654 0 40 IDAB C[C@@]1([C@@H]2CCCN(C(=O)CCSCc3nc(O)c4ccccc4n3)C2)NC(=O)NC1=O 610659346 OGRODXYAZRQNFX-ASSNKEHSSA-N 443.529 1.795 0 40 IDAB COc1cccc(S(=O)(=O)N2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2CN(C)CCN23)c1 1772595531 DCJWZPGWKGOQJW-HXUWFJFHSA-N 448.589 1.044 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)CC1 1888869794 USMSROMWQHRSAF-KBPBESRZSA-N 447.483 1.062 0 40 IDAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)c1 1092949 UFHDQKZEMIEXQO-FSNCLGKMSA-N 443.408 1.129 0 40 IDAB O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)NC(=O)NCc1ccco1 8861785 FURYXCAKIJJJHE-UHFFFAOYSA-N 443.865 1.171 0 40 IDAB O=C(OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCO2 9390447 KRGPFNVGSVPRLL-QGZVFWFLSA-N 437.514 1.963 0 40 IDAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)CC1=O 9442509 CJCMSBZZMWUNIZ-OAHLLOKOSA-N 426.425 1.636 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)CC[C@@H]2NC(=O)NC2=O)sc2c1CCCC2 9492110 GDOJEGGHXJMJOW-NSHDSACASA-N 437.474 1.274 0 40 IDAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCO2 11796336 KRCYBZLMVYIGOS-UHFFFAOYSA-N 449.504 1.826 0 40 IDAB Cc1cc(C)n2ncc(C(=O)N3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)c2n1 12089406 QPLRELOSENMCGS-LJQANCHMSA-N 440.529 1.928 0 40 IDAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)N(C)S(=O)(=O)N1 12131225 MHMVLTNLGWFNME-LSDHHAIUSA-N 431.440 1.966 0 40 IDAB COc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCOCC4)nc3)CC2=O)c(OC)c1 12224035 XFUGMJQFFIHMSS-QGZVFWFLSA-N 440.500 1.605 0 40 IDAB CCn1c(Cc2ccccc2)nnc1SCCCn1c(=O)c2c(ncn2C)n(C)c1=O 12535334 YXXYGPPXHQYTPB-UHFFFAOYSA-N 439.545 1.818 0 40 IDAB CC(C)CN1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 12930571 ZRPDKVNRRKXEGN-QGZVFWFLSA-N 442.557 1.198 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1OC 13121001 SAOGWSILHARLJY-OAQYLSRUSA-N 447.513 1.921 0 40 IDAB CC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 13137767 IVUJZQHLDLNDGS-ZIAGYGMSSA-N 443.953 1.442 0 40 IDAB CCc1cc(=O)oc2cc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 13554624 DSLQZAAXTPPFHT-UHFFFAOYSA-N 430.482 1.741 0 40 IDAB CCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14584103 KJWMYVPRQIGVJQ-UHFFFAOYSA-N 447.495 1.961 0 40 IDAB CN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 19589730 MCKFACZYVAWARO-UHFFFAOYSA-N 449.504 1.566 0 40 IDAB COc1ccc(S(=O)(=O)NCCc2cc(N3CCN(C)CC3)nc(C3CC3)n2)cc1 19590094 BBKSKEOTXHDMMO-UHFFFAOYSA-N 431.562 1.635 0 40 IDAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)C(=O)CC2 19740828 GOTJNFIMGZHAJV-IBGZPJMESA-N 436.516 1.849 0 40 IDAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCCN1CCOCC1 22768351 IONFVIHZLFMXSS-INIZCTEOSA-N 440.529 1.068 0 40 IDAB CCN1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)CC1 22768384 JMNAYTFGZWNVNO-INIZCTEOSA-N 442.520 1.922 0 40 IDAB COc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)NC(=O)NCc1ccccc1 23900807 RHAZDQRZRPDPLH-UHFFFAOYSA-N 432.502 1.574 0 40 IDAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 28914708 WXZPAOVYWOKXMO-AWEZNQCLSA-N 431.518 1.718 0 40 IDAB Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnn1-c1nc2c(s1)CCCC2 56933913 PYKCCSSUXMFIEF-UHFFFAOYSA-N 446.558 1.531 0 40 IDAB COc1ccc(N2C(=O)CN(CCc3cccc(OC)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 56998082 OLOJIFBFXVFXQT-RTWAWAEBSA-N 430.526 1.761 0 40 IDAB CCOc1ccc(-n2ccn(CC(=O)NCc3cccc(OC)c3OC)c(=O)c2=O)cc1 67256098 JFPSPGRBKWFRNQ-UHFFFAOYSA-N 439.468 1.732 0 40 IDAB O=C(c1nc2n(n1)-c1ccccc1S(=O)(=O)N2)N1CCN(c2ccccc2F)CC1 71890333 UUPMKGXSOQDIHN-UHFFFAOYSA-N 428.449 1.483 0 40 IDAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(-n4nc(C)cc4C)nn3)n2)cc1 77197150 LFNRBBCUJUPXRR-UHFFFAOYSA-N 445.483 1.941 0 40 IDAB CC(C)C[C@H](C(=O)N(C)C[C@@H](O)COCCOC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 78986977 HFWAGDMXHQTNFB-YSTOQKLRSA-N 438.565 1.613 0 40 IDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21)Nc1cc(F)ccc1F 101352893 RRFGCGIFDIMFEG-MSOLQXFVSA-N 443.366 1.668 0 40 IDAB COc1ccc(NC(C)=O)c(NC(=O)CN2CCC[C@@](C(N)=O)(c3ccccn3)C2)c1 257232595 GLOAKVHPOAAYRP-QFIPXVFZSA-N 425.489 1.506 0 40 IDAB CN(C)C(=O)CN1C[C@@H]2CC[C@H](C(=O)N3CCCCC3)N2c2ccccc2S1(=O)=O 306129557 IGVUHIMKJCIHKZ-FUHWJXTLSA-N 434.562 1.129 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3OC)C2)cc1 408654549 KCOBRRFSOHUSND-CQSZACIVSA-N 441.440 1.379 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408668583 VDRFUJQPRXRLBQ-LSOMNZGLSA-N 428.441 1.376 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@H]4C3)ncnc21 1888944432 WTDFKZCWGBUMCM-GASCZTMLSA-N 446.508 1.369 0 40 IDAB FC(F)(F)c1nnc2ccc(N3CCN(c4ccnc(N5CCOCC5)n4)CC3)nn12 1889187005 ZEUSBDHSRULWFP-UHFFFAOYSA-N 435.414 1.096 0 40 IDAB O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccc(Cl)cc1Cl 3295649 BAEKTKASNKZZCK-UHFFFAOYSA-N 436.251 1.856 0 40 IDAB COc1ccc(Nc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)s2)cc1 3351805 CHTWVCAQNDYXAQ-UHFFFAOYSA-N 434.503 1.245 0 40 IDAB CSCC[C@@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O 3874398 PRQROPMIIGLWRP-KZNAEPCWSA-N 437.562 1.197 0 40 IDAB biogenic,in-vitro CC(=O)OC[C@H]1O[C@@H](N2CCc3ccccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4043414 RTRYJIOTUZUULJ-LXHROKJGSA-N 449.456 1.132 0 40 IDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC(C(=O)N2CCCCCC2)CC1 6987505 PDQGOLNUBSXQCK-UHFFFAOYSA-N 426.517 1.721 0 40 IDAB CN(C)c1nc(N)nc(COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 8745676 NZNOJTNEUHGOLN-UHFFFAOYSA-N 448.549 1.370 0 40 IDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8883092 YZNYWNQVFYUVML-OVCLIPMQSA-N 445.541 1.451 0 40 IDAB CN(C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 9671890 MOOLQTLZIKIWSQ-SFHVURJKSA-N 441.509 1.128 0 40 IDAB O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 9952989 JAJYDGLEJLLECW-UHFFFAOYSA-N 435.502 1.067 0 40 IDAB COc1ccc(NC(SCC(=O)N2CCCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9973936 KWUFJCQYRKBRJD-UHFFFAOYSA-N 432.502 1.725 0 40 IDAB Cc1c(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c(=O)n(-c2ccccc2)n1C 10188057 PDRDKIWWNLQUJC-UHFFFAOYSA-N 440.481 1.658 0 40 IDAB O=C(NC[C@@H]1COc2ccccc2O1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12180284 OKMPPGPBZIGTBX-GOEBONIOSA-N 425.441 1.702 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 12506956 NZGYHQSGNMKECM-AWEZNQCLSA-N 431.518 1.633 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(Cc3ccncc3)CC2)cc1 12533817 BIFZWNFXAZMBKN-NRFANRHFSA-N 444.557 1.588 0 40 IDAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 12682253 BNGCNDRFXYGHPO-UHFFFAOYSA-N 447.488 1.991 0 40 IDAB COc1ccc(N2C(=O)C(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)C2=O)cc1 12736587 VZWCWKBTUQLAPZ-ZDUSSCGKSA-N 436.424 1.754 0 40 IDAB CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)NC1=NCCS1 13956056 WYAVRIRFHCURPG-UHFFFAOYSA-N 448.530 1.268 0 40 IDAB C[C@@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)C12CC3CC(CC(C3)C1)C2 15314375 YNPGLEHYRACKIM-KWJFTMPMSA-N 427.549 1.935 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 15959500 BDRXNLLNSXNAAR-LBGIPMNZSA-N 449.463 1.025 0 40 IDAB COc1cccc([C@]2(O)CC[C@H]3CN(S(=O)(=O)c4ccc5[nH]c(=O)[nH]c5c4)C[C@@H]32)c1 19564990 UBMFFRWZCDTBDI-IBNJYYFUSA-N 429.498 1.783 0 40 IDAB Cc1nc([C@@H]2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)ncc1C(=O)N1CCCC1 19757435 AYJJJDOPHCJOFU-QGZVFWFLSA-N 448.527 1.691 0 40 IDAB CNC(=O)c1cc([C@H]2CN(C(=O)c3cnc(N(C)C)nc3C)CCO2)nc2ccccc12 19762795 MKXRPSOITVZISX-HXUWFJFHSA-N 434.500 1.973 0 40 IDAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21 19936831 OEABWTUWPBWQOV-UHFFFAOYSA-N 445.497 1.850 0 40 IDAB C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCCC1 20822212 GORPBNYZKORCSS-MEBBXXQBSA-N 439.317 1.187 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccccc1Cl 22228792 VVPIXBLHLLUQBW-UHFFFAOYSA-N 437.905 1.616 0 40 IDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 23642358 BXHVKZFLVZLFDQ-UHFFFAOYSA-N 434.924 1.728 0 40 IDAB O=C(NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccccc2)cc1 23990030 SVINRAMEERBJBW-NRFANRHFSA-N 441.553 1.415 0 40 IDAB O=C1COc2ccc(S(=O)(=O)N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2N1 26978408 KGPPFYPIYOVSQV-UHFFFAOYSA-N 441.465 1.910 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 40013173 JOAUPGRUTFHEBX-INIZCTEOSA-N 438.550 1.306 0 40 IDAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 57347450 VPSZPHYXGLPMAH-MRXNPFEDSA-N 438.550 1.572 0 40 IDAB Cn1cnc2c1[C@@H](C(=O)N1CCN(c3ccncc3)CC1)N(C(=O)c1ccccc1)CC2 96147203 XVAVQCYVGGSEQN-QFIPXVFZSA-N 430.512 1.904 0 40 IDAB CN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 96262240 YDULWMXPHHNOEU-ZWKOTPCHSA-N 445.520 1.364 0 40 IDAB CNC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)c4ccc(=O)n(C)c4)CCO3)n2)cn1 257303964 SJNLUZSCBBVORY-FQEVSTJZSA-N 433.468 1.416 0 40 IDAB Cc1ncc2n1C[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]1CCc3cnc(C)n3C1)CC2 520629461 MXQGETDGZTXSBJ-QZTJIDSGSA-N 426.565 1.780 0 40 IDAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2ccc(S(C)(=O)=O)cc2)CC[C@@]1(C)O 604383323 WAHOFYQZPCIKMB-RJGXRXQPSA-N 446.569 1.919 0 40 IDAB biogenic,in-vitro CS(=O)(=O)N1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 615447108 XXYNCHZDWJVQJB-OAHLLOKOSA-N 445.488 1.387 0 40 IDAB Cc1ccc(=O)n(CC2CN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)n1 1775967543 VUODLLPAWBQSFD-UHFFFAOYSA-N 430.530 1.499 0 40 IDAB CCn1cc(S(=O)(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)nc1C 1888866781 PAABUABGGLMSIN-BETUJISGSA-N 430.456 1.777 0 40 IDAB COc1ccc(N2C(=O)C[C@H](N(Cc3ccc(S(N)(=O)=O)cc3)C(C)=O)C2=O)cc1 2325377 YZZKBJDURTVRAV-SFHVURJKSA-N 431.470 1.023 0 40 IDAB Cc1sc2nc(SCC(=O)N(CCO)CCO)n(-c3ccccc3)c(=O)c2c1C 2659568 ABBFYNVRZPZURM-UHFFFAOYSA-N 433.555 1.969 0 40 IDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 3437736 QTUHCZIWUPVKKH-HXUWFJFHSA-N 434.518 1.520 0 40 IDAB C[C@H](C(=O)NC[C@H]1CCCO1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 4400430 WLTXBJDNNIVYSH-ZWNOBZJWSA-N 435.481 1.294 0 40 IDAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)c1 11858100 NXZJNENZEZORRI-UHFFFAOYSA-N 437.499 1.821 0 40 IDAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2c1 12520607 YAUDTRGCJUIMJV-UHFFFAOYSA-N 443.467 1.696 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)N3CCOCC3)cc2)cc1 12520888 DNEAAOFNUMGCLG-OAHLLOKOSA-N 448.497 1.900 0 40 IDAB Cc1cc(Br)ccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12782710 LPJDMXZKSYWYSH-LBPRGKRZSA-N 428.308 1.862 0 40 IDAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1S(=O)(=O)N1CCCC1 12851956 UULPOEGXNKBFHK-ZDUSSCGKSA-N 437.474 1.960 0 40 IDAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 12870048 HUUGPYLALJWEOY-SECBINFHSA-N 448.357 1.641 0 40 IDAB NC(=O)Cn1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc21 13564631 GTKBXAAECFWFJM-MFOYZWKCSA-N 435.415 1.797 0 40 IDAB COc1ccc(CCN(C)C(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1OC 15846242 BEVVSRCTPPGRKH-UHFFFAOYSA-N 431.514 1.834 0 40 IDAB C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 16013441 JDIRXVFLIVGBPN-HAOYMYTASA-N 443.862 1.781 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(C(=O)N4CCCC4)CC3)C2=O)cc1 18271541 NKUZGEIYYHPQJE-IBGZPJMESA-N 427.501 1.830 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)N3CCCC[C@H]3C)CC1)O2 19496284 YSCUQFWZJLKYKM-MWTRTKDXSA-N 429.517 1.970 0 40 IDAB CC(C)CN(C(=O)c1ccc(Cn2cncn2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 21894312 HWZRKITYUPRQDS-UHFFFAOYSA-N 439.520 1.717 0 40 IDAB C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 40389083 CAZRPQLNBNMHIP-AAEUAGOBSA-N 425.445 1.942 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 54435634 TZXOVXPHTKPZIC-QZTJIDSGSA-N 448.520 1.056 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2cccnc2N2CCN(C)CC2)c1 57995096 LQAXQEGKKSHOMO-UHFFFAOYSA-N 445.589 1.794 0 40 IDAB O=C(CN1CCSC1=O)NC[C@H](Cc1ccccc1)NC(=O)CN1CCSC1=O 58004587 DVZCMVFFWJVNMR-HNNXBMFYSA-N 436.559 1.168 0 40 IDAB COC(=O)[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 58142249 ZDXFAOYHKLKZMD-TZMCWYRMSA-N 433.324 1.451 0 40 IDAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 60950891 QJARPNOFBHAIES-UHFFFAOYSA-N 428.495 1.950 0 40 IDAB O=C(O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 78307645 SLLOHKZCCFWKKA-CQSZACIVSA-N 430.438 1.574 0 40 IDAB C[C@H](NC(=O)Cn1c(C(F)(F)F)c(CCO)cc(C(N)=O)c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 104878185 XUXHZPNLZNTYIA-MNXVOIDGSA-N 429.439 1.442 0 40 IDAB O=c1[nH]c2cc(S(=O)(=O)N3CCC[C@H](Cc4nc(-c5cnccn5)no4)C3)ccc2o1 220889395 RAXCUBSSDMZYFG-GFCCVEGCSA-N 442.457 1.605 0 40 IDAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C(=O)O)cc2)c1C 225634687 VRAPKAAOGHZCCU-JJXSEGSLSA-N 433.442 1.685 0 40 IDAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 245229730 DVYIPXPDIFRZMK-GJYPPUQNSA-N 432.550 1.758 0 40 IDAB CNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2cc(OC)ccc2NC(C)=O)C1 257255989 KJRIEQJDYAGMLB-QHCPKHFHSA-N 439.516 1.767 0 40 IDAB CNCCOc1cccc(C(=O)N(C)C[C@@]2(O)CCN(c3ccnc4cccnc34)C2)c1 257308777 TYBGYPAAWYGJJT-DEOSSOPVSA-N 435.528 1.941 0 40 IDAB O=C(c1ccno1)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 306144464 ZGBJGVPEYMQOKS-WBVHZDCISA-N 426.454 1.546 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 409391749 OJSIJDCPZMIMMD-CYBMUJFWSA-N 428.507 1.172 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)c1 667442 GTTCXDPZPHYCQK-UHFFFAOYSA-N 447.513 1.842 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 2655870 KRDLHPARORNGKN-UHFFFAOYSA-N 432.454 1.373 0 40 IDAB COC(=O)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 5028658 FWKUJTQARCPILV-ZWKOTPCHSA-N 428.441 1.657 0 40 IDAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 8825549 GIMHHFZFLLVUCT-UHFFFAOYSA-N 426.458 1.964 0 40 IDAB Cn1c(N)c(C(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c(=O)n(C)c1=O 9283408 GTOAUYAZMQXOAU-UHFFFAOYSA-N 439.519 1.757 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H](O)c3ccccc3)C2)cc1 9303673 WKAPESNSXAEIAF-NQIIRXRSSA-N 445.541 1.896 0 40 IDAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 9510340 ZPSDUPJCIRQTGE-QMMMGPOBSA-N 430.244 1.166 0 40 IDAB CC(C)Cc1nc(SCC(=O)NCCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 9517420 SLEUVCIFMFINQR-UHFFFAOYSA-N 441.557 1.677 0 40 IDAB NC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)cc1 9518230 HLPGSSCDVYDFJR-UHFFFAOYSA-N 428.430 1.027 0 40 IDAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9581150 UQSQAVPPWJKSND-CVEARBPZSA-N 437.547 1.165 0 40 IDAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)N[C@@H]1CCS(=O)(=O)C1 9633349 FPPPJCVTOXWADN-CYBMUJFWSA-N 447.513 1.920 0 40 IDAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1 10688977 XIAGCQRXNSYUSK-INIZCTEOSA-N 438.550 1.052 0 40 IDAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029919 GUDVLUAJTNHNPU-INIZCTEOSA-N 437.495 1.671 0 40 IDAB O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCCO2)NC1CCCC1 13150807 DJEJYAMXQIJYGD-UHFFFAOYSA-N 427.457 1.873 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1 15406860 NDUZMBZZKSDPLO-OAHLLOKOSA-N 443.591 1.245 0 40 IDAB CCc1ccc2c(c1)[C@@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15968081 QYGAWXRFFNIKCQ-ZHBILRMLSA-N 446.507 1.088 0 40 IDAB biogenic COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3OC)CC2)cc1C 16283014 VONGPFIONSJMPN-UHFFFAOYSA-N 447.557 1.982 0 40 IDAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(=O)[nH]c1)CC1(CCOCC1)O2 19219337 WAUGMPAOECAASQ-MAUKXSAKSA-N 425.485 1.991 0 40 IDAB C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1)c1ccccc1 19459036 HNWKTKJHVIIWMP-GOEBONIOSA-N 430.530 1.207 0 40 IDAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(S(=O)(=O)c1ccccc1)C2 19708714 ZXDVGDBJDCQWTI-MRXNPFEDSA-N 429.546 1.991 0 40 IDAB Cc1nc([C@H]2CCCN2C(=O)CNS(C)(=O)=O)ccc1C(=O)NCc1ccc(F)cc1 19711217 HNZYCLRJTOSVHR-LJQANCHMSA-N 448.520 1.672 0 40 IDAB O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008265 QQSMALRMNSGIOR-FQEVSTJZSA-N 435.521 1.164 0 40 IDAB Cc1ccc(CNC(=O)c2nnc(CN3CCN(CC(=O)N4CCCC4)CC3)s2)cc1 22935516 JPULMYUWTNMSBH-UHFFFAOYSA-N 442.589 1.517 0 40 IDAB COc1ccc(CC(=O)N2CCN(c3nnc(SCC(N)=O)s3)CC2)cc1OC 23141579 UQCMZGNBLRQLDJ-UHFFFAOYSA-N 437.547 1.024 0 40 IDAB COc1ccccc1CNC(=O)C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 43942843 XAFUNYSWLORUNS-CMDGGOBGSA-N 425.485 1.973 0 40 IDAB CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc(S(=O)(=O)NC)cn3C)c2)n1 58100961 BTGPSLPCXIJVEX-UHFFFAOYSA-N 431.474 1.548 0 40 IDAB COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)CC1=O 71890998 QVFYHMPVXRZPOJ-CJNGLKHVSA-N 438.484 1.338 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)cc1 72326306 RVYQWIFSOFJXQO-WNSKOXEYSA-N 437.500 1.659 0 40 IDAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327596 NHFGEBFZHDJJOO-NPMXOYFQSA-N 427.501 1.516 0 40 IDAB CC(=O)N(CCC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1)Cc1ccccc1 89930357 ASANXOVLYAYFQM-HXUWFJFHSA-N 435.532 1.896 0 40 IDAB COc1ccc(C(=O)NCCSc2nc(C)n[nH]2)cc1S(=O)(=O)N1CCCC1 222904669 RMPCKSFCYDIWOV-UHFFFAOYSA-N 425.536 1.428 0 40 IDAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCN(C)CC1 223648242 HHOBWXDLVUDRSU-UHFFFAOYSA-N 427.523 1.871 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)Nc2nnc(SCC(=O)OC)s2)ccc1OC 223700607 YDSPZYVAKFAPSD-UHFFFAOYSA-N 446.532 1.362 0 40 IDAB CCOc1ccc(OCC)c(S(=O)(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1 224231758 NMCVMGZGEQGZBT-UHFFFAOYSA-N 436.534 1.898 0 40 IDAB Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)[nH]c21 505210608 NINOMHDAVCXRTM-UHFFFAOYSA-N 442.451 1.311 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Cc4cn(C)c5ccccc45)C[C@@H]23)n1 1549163149 ZJZISCMORWWXGF-HXUWFJFHSA-N 446.511 1.741 0 40 IDAB CC(C)n1cccc1CN1C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)OCCCCOc2cccc1c2 2037972681 ZHAGJBDGXGFUDZ-MOUTVQLLSA-N 448.560 1.708 0 40 IDAB CCCn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2CCC)c(=O)[nH]c1=O 8824987 MXGICZMYAUHXQS-UHFFFAOYSA-N 429.502 1.624 0 40 IDAB Cn1c(=O)c2c(nc3n2CC(c2ccc(OC(F)F)cc2OC(F)F)=NN3)n(C)c1=O 9404634 OAWGIRSXWARETO-UHFFFAOYSA-N 442.329 1.466 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Br)cc2Cl)n(C)c1=O 9461567 RIBVLSMVJSCUHU-UHFFFAOYSA-N 426.658 1.488 0 40 IDAB CCOC(=O)C1=C(CSc2nnc(Cc3ccc(OC)cc3)n2N)NC(=O)N[C@@H]1C 9466823 YJZQCBDWOVKFQV-LLVKDONJSA-N 432.506 1.202 0 40 IDAB CN(C)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 9633109 PYRKKEHGWCFTDV-UHFFFAOYSA-N 431.514 1.443 0 40 IDAB CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)O 9791497 UJYYIICGCLGEOJ-XEZPLFJOSA-N 430.548 1.421 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2OC)n2nnnc2N1 10232160 TWMNDVBRUJXRON-KRWDZBQOSA-N 436.384 1.915 0 40 IDAB CCc1cccc(OC[C@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385306 ZLWYKTKYQPZRHK-DOTOQJQBSA-N 441.532 1.662 0 40 IDAB COc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1OC 12069451 OOUWZUGTXNHESF-UHFFFAOYSA-N 426.517 1.971 0 40 IDAB Cn1c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F 12684669 OMDUZCPDXUKGSV-WDEREUQCSA-N 442.485 1.121 0 40 IDAB O=C1[C@H]2C3C=CC([C@@H]2C(=O)N1c1ccc(O)cc1)[C@H]1C(=O)N(c2ccc(O)cc2)C(=O)[C@H]31 13562119 NLZXLQPOFRCKRZ-ABPJMCOGSA-N 430.416 1.825 0 40 IDAB CNC(=O)c1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 14246408 QECANROMAOOVSC-UHFFFAOYSA-N 448.545 1.710 0 40 IDAB COc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)c1 15733909 PDTMWSUUNJUGOG-UHFFFAOYSA-N 430.486 1.831 0 40 IDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 15954557 XEFYLLYIUVFEEH-MAUKXSAKSA-N 447.532 1.950 0 40 IDAB biogenic O=C(Cc1cccnc1)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 19338472 ZDZUZNSUJWTFCP-HXUWFJFHSA-N 437.475 1.783 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1C 19533652 GKAWGIJDSAHRJB-UHFFFAOYSA-N 439.578 1.243 0 40 IDAB CN(CCO)C(=O)c1cc([C@@H]2CN(C(=O)CN3CCCC3)CCO2)nc2ccccc12 19759418 XJZVRQMYTOWIEK-NRFANRHFSA-N 426.517 1.295 0 40 IDAB CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1C[C@H](O)COc1cccc(C)c1 20480058 GKVYMERXYGBXIW-INIZCTEOSA-N 444.536 1.338 0 40 IDAB COc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)COc4ccccc4)CC3)CC2=O)c1 20714780 XAKRLKKPJVUPPS-GOSISDBHSA-N 437.496 1.798 0 40 IDAB O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(CCN2CCCC2)CC1 22912571 FBNCHCKQIIKAGJ-GOSISDBHSA-N 440.635 1.389 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)CNC(=O)[C@H]3C[C@H]3C)c2)cc1 23190421 VOPXWRMELMSDCT-WBMJQRKESA-N 433.486 1.912 0 40 IDAB CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 27427255 QWSUTWDDZCBGQA-UHFFFAOYSA-N 428.864 1.721 0 40 IDAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 32873912 KSIWRYLPEPHZNB-AWEZNQCLSA-N 439.472 1.929 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1CC(=O)NCc1ccco1 33466757 SQBQMTCQXVWOQF-VAAIZWELSA-N 430.457 1.131 0 40 IDAB O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NCc1nc(-c2ccccc2)no1 36709235 LDTLJYSYVCHBDK-UHFFFAOYSA-N 436.453 1.993 0 40 IDAB Cc1ccnc(NS(=O)(=O)c2ccc(-n3ccc4c(cnc5ncnn54)c3=O)cc2)n1 38784114 HBYRVVQLWIEBPB-UHFFFAOYSA-N 434.441 1.328 0 40 IDAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1S(=O)(=O)N(C)C 40146975 UTVSNBQMRMJCJT-INIZCTEOSA-N 446.529 1.831 0 40 IDAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O 44891073 MUUWZLNOCDNQKE-IBGZPJMESA-N 441.532 1.274 0 40 IDAB COc1cc(NC(=O)Cn2nc3c(N4CCC[C@H](C)C4)nccn3c2=O)cc(OC)c1 49399840 IRMKSGDYNKUERL-AWEZNQCLSA-N 426.477 1.783 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)o2)CC1 62022964 AMMFKNZUFWBKGU-CQSZACIVSA-N 433.490 1.200 0 40 IDAB CCOC(=O)N1CCN(CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 72373048 NWLGXQSEVDOUIS-GOSISDBHSA-N 445.564 1.450 0 40 IDAB O=C(Nc1ccc(-n2nnn(CC(=O)N3CCOCC3)c2=O)cc1)c1ccc(Cl)s1 77100263 IIESMUHNHILSFE-UHFFFAOYSA-N 448.892 1.255 0 40 IDAB Cc1cc(-n2c(C)cc(C(=O)CN3CCN(CC(=O)N4CCOCC4)CC3)c2C)no1 84080272 QAYNEXLANGUUJY-UHFFFAOYSA-N 429.521 1.050 0 40 IDAB CCOC(=O)[C@H]1CNc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2O1 222376366 VJKZFBJHHUNAQE-HXUWFJFHSA-N 431.514 1.934 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222610950 AMLKTHICGRJZAG-AWEZNQCLSA-N 439.484 1.894 0 40 IDAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 222901070 YAKSPMDIIGJJIU-GOSISDBHSA-N 446.573 1.505 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 408705074 XWPCNLKNEWUBDG-AWEZNQCLSA-N 440.518 1.414 0 40 IDAB CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 507919274 IUXYZDGJIZGMKU-HNNXBMFYSA-N 446.481 1.878 0 40 IDAB CCn1cc(C(=O)C(=O)NC2C(C)(C)C(NC(=O)C(=O)c3cnn(CC)c3)C2(C)C)cn1 533956276 JUGOIQPTZLGPFK-UHFFFAOYSA-N 442.520 1.221 0 40 IDAB COc1cc(C(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)cc(OC)c1OC 1888913812 HQIYCVWAIZPXFM-IYBDPMFKSA-N 438.488 1.667 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)cc1F 1888919430 KMIQBULUXHQBDR-OKILXGFUSA-N 432.481 1.337 0 40 IDAB C[C@H]1CCCN(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)C1 930445 WPOXJESAINJXBA-HNNXBMFYSA-N 441.557 1.833 0 40 IDAB CCOc1cc(S(=O)(=O)NCc2cccc(OC)c2)c(OCC)cc1-n1cnnn1 1325379 GQIJVXJBBXWBOX-UHFFFAOYSA-N 433.490 1.947 0 40 IDAB CSC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)O 8790496 RIHUJOWHAWJBEM-WMZOPIPTSA-N 441.509 1.416 0 40 IDAB biogenic C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN(c2ccccn2)CC1 9446879 KQPBHEVGGXRURJ-MRXNPFEDSA-N 446.529 1.259 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(=O)O)CC1 9487951 WLOYPVYDCOGEME-KXBFYZLASA-N 433.480 1.643 0 40 IDAB CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)s1 9644832 CJFXMSKVRHWMTH-OAQYLSRUSA-N 443.481 1.849 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2Cc2ccccc2)C1=O 9665035 CNBRSSSFLUYVDH-FQEVSTJZSA-N 437.485 1.312 0 40 IDAB COC(=O)c1ccccc1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11858304 YAEFLVJWFRKCIB-UHFFFAOYSA-N 438.483 1.649 0 40 IDAB CCc1c(C)nc2cc(C3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nn2c1O 12134183 WBOYABVRLQCUEH-UHFFFAOYSA-N 449.577 1.683 0 40 IDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@H](C2)N3C(=O)Cc2ccc3c(c2)OCO3)n1 12161932 JSIVHZOTRVNNRD-NHJWOMDBSA-N 425.485 1.798 0 40 IDAB O=C(NC1CCCCC1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(c3ccccc3)CC2)[C@H]1O 12489784 SIOOSZRPIRLATL-CSEOROSGSA-N 430.549 1.294 0 40 IDAB biogenic,in-vitro COc1ccc(Cn2nnnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 12616924 VJFUTMVTLDMZHC-UHFFFAOYSA-N 445.505 1.108 0 40 IDAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(C)c1 12992876 WBMLMQCSLHFSFN-UHFFFAOYSA-N 446.573 1.800 0 40 IDAB CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCCO 13629913 JZCLDWOWLRZGSV-DJJJIMSYSA-N 431.489 1.393 0 40 IDAB CCOC(=O)[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C 17296778 TWKAJKABRORCLA-ZDUSSCGKSA-N 429.502 1.895 0 40 IDAB Cc1nn(C)cc1C(=O)NCCc1nc(-c2ccccc2)ncc1C(=O)N1CCOCC1 19697305 QEICOAYZZZBMSL-UHFFFAOYSA-N 434.500 1.630 0 40 IDAB CNC(=O)c1cc([C@H]2CN(C(=O)CCn3c(C)cc(C)nc3=O)CCO2)nc2ccccc12 19762522 OASJCBHXJJAYJU-OAQYLSRUSA-N 449.511 1.758 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)ccc1OC 28719670 NUECLSDPAFCYRB-UHFFFAOYSA-N 443.407 1.595 0 40 IDAB Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 31593780 OVUFJGIUGMITOM-SJLPKXTDSA-N 446.529 1.538 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 33330797 XTDIMPNTOXUQGZ-LBPRGKRZSA-N 428.470 1.663 0 40 IDAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C(=O)C2CC2)CC1 35286804 GQQBONDFOFRLKQ-INIZCTEOSA-N 434.562 1.352 0 40 IDAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 40052471 LKWFYVMQAMIOCU-UHFFFAOYSA-N 428.399 1.649 0 40 IDAB Cc1ccc(N2CC[C@H](C(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)C2=O)cc1C 58162036 YZHSELVGBSVPHN-ZHALLVOQSA-N 437.562 1.212 0 40 IDAB CSc1ccc([C@@H](CC(=O)O)NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 95989636 CMPQPXWNSIIETJ-MRXNPFEDSA-N 441.517 1.790 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)n1 96105261 SIXZGANYDMOFOE-CYBMUJFWSA-N 442.505 1.475 0 40 IDAB CC(C)CS(=O)(=O)C1CN(C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 96121999 QDPYNYILSKBGCC-UHFFFAOYSA-N 444.619 1.934 0 40 IDAB O=C(NCCCN1CCOCC1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 101422722 ZBDPUCXJZDSDJN-YXTQBTIXSA-N 431.920 1.465 0 40 IDAB O=C1C[C@@H](n2nnn(-c3ccc(I)cc3)c2=S)[C@H]2CO[C@H]1O2 103004470 LCVSILRPOGQDCS-JLLWLGSASA-N 430.227 1.658 0 40 IDAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCc1ccccc1CN1CCC(O)CC1 108485176 ZAZXVYKGJOKJDT-ONTIZHBOSA-N 446.617 1.985 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219664053 DXDZTOPRKFOOPM-UHFFFAOYSA-N 431.470 1.236 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)ccc1OC 223851050 PNJHNNZVTATPFZ-UHFFFAOYSA-N 438.502 1.949 0 40 IDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224730741 MXMITLAMWSIRRX-UHFFFAOYSA-N 446.573 1.691 0 40 IDAB O=C(NCCCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 408591486 JETKOIBFDRDJLE-INIZCTEOSA-N 429.970 1.579 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC 409388081 BYUAFOZDNFCNJI-KRWDZBQOSA-N 447.557 1.715 0 40 IDAB Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575426628 XDVBLTVYONOURX-SJORKVTESA-N 429.947 1.997 0 40 IDAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)[C@H]2C1 585106259 ZYTFCXCSCVNPPD-AHRSYUTCSA-N 435.590 1.942 0 40 IDAB CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 624720393 OHNQXCZWDYZYHN-UHFFFAOYSA-N 433.534 1.001 0 40 IDAB O=C1CN2CCN(C(=O)c3cnccn3)C[C@@H]2COc2ccc(-c3cccnc3F)cc2N1 1772594567 LVCNEEJCNJEOAQ-MRXNPFEDSA-N 448.458 1.835 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5cc(F)ccc5OC)C[C@H]4C3)nn12 1888941734 DQDVUOWCCCYLFM-OKILXGFUSA-N 446.508 1.591 0 40 IDAB CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CC1 8789885 WKANBTZUEPOIRG-HKUYNNGSSA-N 446.573 1.599 0 40 IDAB biogenic O=C(NC[C@@H]1CCCO1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 9741515 JFNUFGVWVBCUPG-YOEHRIQHSA-N 440.518 1.814 0 40 IDAB Nc1nc(COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)nc2ccccc12 12554801 MMVYYPIGBOYNRA-UHFFFAOYSA-N 425.470 1.774 0 40 IDAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 13108195 NIISVWLDCQTLBB-UHFFFAOYSA-N 445.497 1.598 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc(Cl)ccn2)c(=O)[nH]c1=O 13108604 JGHMYXFGRCXAGY-UHFFFAOYSA-N 429.864 1.661 0 40 IDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(Cc4ccc5c(c4)OCO5)CC3)N2)cc1 14607001 ZNSFAHBPRQZHBD-IBGZPJMESA-N 449.511 1.725 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1OC 16189408 HZZUSHXMPUYZJP-UHFFFAOYSA-N 438.458 1.659 0 40 IDAB COc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)cnc32)cc1 16955134 XBFOBWPJRSFBML-UHFFFAOYSA-N 434.412 1.396 0 40 IDAB COc1ccccc1[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 19819970 GCLPGWSNGVEGRJ-SFHVURJKSA-N 434.514 1.818 0 40 IDAB COc1ccccc1N(CC(=O)NCc1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O 22362601 ZDNCDYIZPBWPOH-UHFFFAOYSA-N 438.502 1.803 0 40 IDAB C[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22363519 FPBLZILEXGSROC-CYBMUJFWSA-N 428.507 1.873 0 40 IDAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)Oc2ccccc21 22527535 ZSVNIPKPAWVVMA-LJQANCHMSA-N 445.497 1.325 0 40 IDAB O=C(Nc1nnc(SCCN2CCOCC2)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 22627775 NCPRFMSDMBYOFZ-CQSZACIVSA-N 433.559 1.954 0 40 IDAB O=S1(=O)C[C@H](N2CCN(Cc3ccccc3)CC2)[C@@H](S(=O)(=O)c2cccs2)C1 22923830 RXZMGJCXYNEYDQ-ROUUACIJSA-N 440.612 1.505 0 40 IDAB CCOc1ccc(C(=O)Nc2cc(C(=O)N3CCOCC3)cn(C)c2=O)cc1OCC 23109225 UZHZWNWZWHNOIT-UHFFFAOYSA-N 429.473 1.907 0 40 IDAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 30994879 DRYUMBSAVJCPLX-MRXNPFEDSA-N 441.513 1.423 0 40 IDAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2C(=O)OC)c1=O 32682434 ILLCWBWRWCVRKF-UHFFFAOYSA-N 443.504 1.418 0 40 IDAB COCC(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 58098141 FLFALCSMNXTKSN-UHFFFAOYSA-N 449.533 1.353 0 40 IDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)n1 72301579 AFZQCQPMBUTQSC-UGSOOPFHSA-N 425.489 1.183 0 40 IDAB CCN(CC)CCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)CC(C)C 72313452 UADOGOWYQMQZAZ-GOSISDBHSA-N 427.615 1.789 0 40 IDAB O=C(NCCCN1CCOCC1)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 101422726 ZBDPUCXJZDSDJN-GHDARCQNSA-N 431.920 1.465 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)cc1 101487037 XQJAPABJEAZQFV-ACJLOTCBSA-N 428.532 1.649 0 40 IDAB O=c1n(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)nc(-c2ccco2)n1C1CC1 211075871 LGDKTCGFHOFEDZ-UHFFFAOYSA-N 432.458 1.389 0 40 IDAB O=S(=O)(c1ccc(F)cc1F)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224334104 FVTVWVVNMMWYTK-UHFFFAOYSA-N 425.461 1.102 0 40 IDAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 229802096 KXOOYMPHUPMNSA-IGMJJTELSA-N 449.799 1.304 0 40 IDAB Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)c4cccc(OCCN)c4)C3)c2n1 257340744 ZHIZWJHLQQKHDJ-DEOSSOPVSA-N 435.528 1.989 0 40 IDAB O=C(Cc1ccccc1)N1CC[C@@H]2Cn3c(nn(Cc4cccc(F)c4)c(=O)c3=O)[C@H]2C1 306124662 BWAWGIOGKGLRAC-QUCCMNQESA-N 434.471 1.781 0 40 IDAB CN1C[C@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)c3ccn(C)n3)CC2)C1 306134341 NJXXLXAZHTUAMD-LJQANCHMSA-N 429.496 1.181 0 40 IDAB CC(C)OC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C 922307 OYSIBYWLJTXQFT-UHFFFAOYSA-N 440.547 1.547 0 40 IDAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(CCN4CCCC4=O)CC3)C2=O)cc1 1441910 ZTTXUHXFKIMKRN-IBGZPJMESA-N 427.501 1.830 0 40 IDAB CC[C@]1(OC(=O)CN(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1 1625747 RJACMXMBRAPENC-XMMPIXPASA-N 448.479 1.774 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NCc3ccco3)CC2)cc1 2368993 HMXUBPYTWTTWDT-INIZCTEOSA-N 433.530 1.810 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)NCC(F)(F)F 3365177 PYMLWDXQQRMAHO-VMZHVLLKSA-N 443.831 1.439 0 40 IDAB C[C@]1(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CCS(=O)(=O)C1 3422567 QAUHMGVOCAGJCO-KRWDZBQOSA-N 434.967 1.822 0 40 IDAB O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)N1CCN(c2ccccc2)CC1 6529804 YQSLURYHZBEEKS-UHFFFAOYSA-N 429.484 1.385 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC[C@@H]3CCCO3)nc(-c3cccs3)nc2n(C)c1=O 6530512 ZVGWDCQEANUGTP-NSHDSACASA-N 447.542 1.143 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)N1CCC[C@H]1C(=O)O 8791211 JOFBCJSJNSSHRO-OHRYMORCSA-N 445.516 1.655 0 40 IDAB biogenic CC[C@H](C)N(C(=O)COC(=O)c1cncc(Br)c1)[C@H]1CCS(=O)(=O)C1 8824622 YAARNNXVCJLYID-FZMZJTMJSA-N 433.324 1.815 0 40 IDAB COc1ccc(CCNC(=O)C(=O)Nc2cc(C)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1 9039907 PULMIHIWAILVEF-UHFFFAOYSA-N 436.472 1.059 0 40 IDAB CS(=O)(=O)c1ccc2nnn(OCC(=O)NCc3ccc(Cl)cc3Cl)c2c1 9120147 HVQFRWPXBAQKBP-UHFFFAOYSA-N 429.285 1.887 0 40 IDAB COc1ccc(OC)c(NC(=O)CSc2nnc3n(N)c(=O)c(C(C)(C)C)nn23)c1 9637379 XCCFQMBQPRINHC-UHFFFAOYSA-N 433.494 1.045 0 40 IDAB CC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCO2 10760389 ZDOSKYGDNAGBDC-UHFFFAOYSA-N 440.543 1.764 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2c(C)cc(N3CCCCS3(=O)=O)cc2C)CC1 12004337 JLEYVDWZKOENAP-UHFFFAOYSA-N 429.564 1.086 0 40 IDAB COc1cc(OC)c(N2C[C@@H](C(=O)O[C@@H](C)C(=O)N3CCOCC3)CC2=O)cc1Cl 12777937 SMZZKZIDIZJVDH-STQMWFEESA-N 440.880 1.501 0 40 IDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2nc(O)c3ccccc3c2=O)CC1 12904472 PSJOOPWCUFEMEC-UHFFFAOYSA-N 449.511 1.447 0 40 IDAB C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCCc2ccccc21 12972484 ZNTFBNQRJXOMFS-ZBFHGGJFSA-N 447.513 1.063 0 40 IDAB CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(OC)cc1 13127371 BSHMBAHJMWWVFR-QGZVFWFLSA-N 432.454 1.806 0 40 IDAB COc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2)cc(OC)c1OC 13564002 NRRQSMRFDDAIPB-SJORKVTESA-N 429.473 1.996 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 13572642 PBHPEXDLKNNCAD-DDOIHHOZSA-N 439.899 1.950 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC 15589586 DMCBZZCKXFXDPQ-UHFFFAOYSA-N 436.442 1.429 0 40 IDAB COc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(Br)cc1)c(=O)n2C 15880306 QICNKVJHFOFFRX-UHFFFAOYSA-N 433.262 1.813 0 40 IDAB CCOC(=O)C1CCN(C(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)CC1 16980699 PKMJCLIPBRDJSA-UHFFFAOYSA-N 429.521 1.924 0 40 IDAB CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 17212358 SYRLHTLQQMIFHC-UHFFFAOYSA-N 436.511 1.925 0 40 IDAB C[C@H](C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2)c1ccccc1 19459292 AAWWDNALQVBQMA-HNAYVOBHSA-N 444.557 1.945 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)N3CCCC[C@H]3C)CC1)CNC2=O 19496288 HMSDJXAAJZACEV-WAIKUNEKSA-N 429.517 1.970 0 40 IDAB CNC(=O)c1cnc([C@H]2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)nc1C 19757471 PREUWFVLSCWNAD-AWEZNQCLSA-N 434.493 1.464 0 40 IDAB Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 20061975 DIZKIDJZGOCQKS-QGZVFWFLSA-N 438.532 1.325 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2cc(OC)c(OC)cc2N(CC)S(C)(=O)=O)CC1 22252186 DJWILQZIDKFDQK-UHFFFAOYSA-N 443.522 1.404 0 40 IDAB CN1CCN(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1 22829396 PKLWPIQHQBKTBD-UHFFFAOYSA-N 430.574 1.636 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)C(=O)N2CCN(C)CC2)cc1 22996625 GHLPEXWPYPBKKK-UHFFFAOYSA-N 436.578 1.612 0 40 IDAB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)CS2 23078697 NKJMDGHRLHAUDV-MAUKXSAKSA-N 445.513 1.252 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCCN(Cc3ccccc3)CC1)C2=O 23355293 PZEFQUZSRFBTDD-UHFFFAOYSA-N 427.549 1.726 0 40 IDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(N2CCCC2=O)n1 32744538 SHRCXJBDTXQNTF-UHFFFAOYSA-N 441.513 1.724 0 40 IDAB C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 34863231 UVGXSJMCULIMPF-JMERFSKESA-N 438.527 1.193 0 40 IDAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)nn1C)C2 36366643 CXJUWZFFMLKVEL-UHFFFAOYSA-N 428.470 1.908 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)NCc1nc(-c2ccccc2)no1 38488411 HCNWYALKIMQLKP-INIZCTEOSA-N 429.502 1.768 0 40 IDAB CN(CC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccccc1 48314852 DFBMPFZCNSUIJM-UHFFFAOYSA-N 431.543 1.661 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)Nc4cccnc4Cl)c(=O)c3s2)CC1 67239605 WKRGNBHPNCPOOC-UHFFFAOYSA-N 433.925 1.682 0 40 IDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CC[C@@]3(CCC2=O)Nc2ccccc2S(=O)(=O)N3)C1 72342464 AQUNBDLGTBRWTD-QYWGDWMGSA-N 434.562 1.604 0 40 IDAB CCc1sc(NC(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)nc1C(=O)OC 79494068 FLYJQWVUKODPPW-NSHDSACASA-N 426.520 1.917 0 40 IDAB CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@H]2[S@@]1=O 104222436 KFMXQHTUJPHSSN-YUHXVIQPSA-N 426.494 1.466 0 40 IDAB C[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222684161 RQDLAVGIEBMVRM-AWEZNQCLSA-N 448.497 1.872 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCSc2nc(C)n[nH]2)cc1 222884536 WHGXVROZQDCROB-UHFFFAOYSA-N 425.580 1.985 0 40 IDAB CCn1cccc1-c1noc(CNC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)n1 225768731 JWBIJYCSDFISPQ-LBPRGKRZSA-N 426.502 1.957 0 40 IDAB CS(=O)(=O)N(CC(=O)NCCSc1ncn[nH]1)Cc1ccc(Cl)c(Cl)c1 226063150 OWSFGRDCANNAAW-UHFFFAOYSA-N 438.362 1.782 0 40 IDAB C[C@@H]1CN(C)CC[C@H]1CCc1ccc(NC(=O)Cn2cnc3c2c(=O)nc(O)n3C)cc1 253602848 RZXLHGJYWVWKLL-NVXWUHKLSA-N 438.532 1.995 0 40 IDAB CN(C)C(=O)N1CCc2c(c(=O)nc3n2CCC32CCN(C(=O)c3ccccc3)CC2)C1 306131523 KHRQHSYZOYEGKH-UHFFFAOYSA-N 435.528 1.861 0 40 IDAB CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O 1136085596 KYGPMHVXQSSDMD-MRXNPFEDSA-N 444.488 1.558 0 40 IDAB C[C@@H](CO)NC(=O)CN1CCOc2ccccc2Oc2ncccc2C(=O)N(C)CC1 2037932439 WIJKDRKSOLYSEW-INIZCTEOSA-N 428.489 1.137 0 40 IDAB Cn1c(=O)c2c(nc(NCc3ccco3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 2701976 AKMRKGZXZGQFKX-AWEZNQCLSA-N 425.445 1.079 0 40 IDAB CN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccc(N2CCOCC2)cc1 5897105 HJJKHQUKJZVVMK-UHFFFAOYSA-N 431.537 1.552 0 40 IDAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)o1 9346691 CEKDNDOZBOVNGD-UHFFFAOYSA-N 439.446 1.692 0 40 IDAB Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@@H]1CNC(=O)C(=O)NCCC(C)C 9577647 NTZKQCUJQLGKOL-QGZVFWFLSA-N 429.514 1.150 0 40 IDAB Cc1ccc(C(=O)NCC(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 9711846 UQMVVUORKCRCCI-UHFFFAOYSA-N 429.542 1.956 0 40 IDAB CCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)NCc3ccncc3)cs2)CC1 12069804 LDSPLIVXASBOKG-UHFFFAOYSA-N 432.506 1.703 0 40 IDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3)CC1)CS2 13022075 AZKOXNDFQPEXTN-CRAIPNDOSA-N 443.978 1.627 0 40 IDAB COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1C(=O)N1CCCCCC1 13842733 WAKDBCRKGYMPOC-UHFFFAOYSA-N 439.578 1.712 0 40 IDAB COc1ccc(C(=O)NCCc2nnc(SCC(=O)NC3=NCCS3)n2C)cc1 13956050 FSZSCOJMJVSHLI-UHFFFAOYSA-N 434.547 1.107 0 40 IDAB C[C@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 18813072 KASOSUDXGITZSA-WCQYABFASA-N 444.893 1.215 0 40 IDAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCOCC3)cc2c1 19563410 GEDLICMZCLQONS-VQIMIIECSA-N 426.477 1.124 0 40 IDAB CN1CCC(C(=O)NCC2CCC(c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)CC1 19743005 ZULAQSJABFHIQY-UHFFFAOYSA-N 427.549 1.364 0 40 IDAB COc1ccc(S(=O)(=O)N2CC[C@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)cc1 19757791 PODKQPPXLROSQZ-INIZCTEOSA-N 446.529 1.444 0 40 IDAB COc1ccc(CNC(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(CN3CCOCC3)on2)cc1 20504025 IIVJNQQNIFHPMS-PMACEKPBSA-N 442.560 1.990 0 40 IDAB biogenic,in-vitro CCN(C(=O)COC(=O)/C=C/c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 21940607 OHLJHNCKTTVWQB-ZHACJKMWSA-N 438.440 1.370 0 40 IDAB C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCCN(CC(=O)NC(C)(C)C)CC1 22798960 FWCNBJGQFLVLRI-AWEZNQCLSA-N 449.621 1.585 0 40 IDAB CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2)CC1 32125397 DJNVYOGKIAYDEO-UHFFFAOYSA-N 448.570 1.660 0 40 IDAB Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc3c(c2)N(CC(=O)O)C(=O)CO3)c1 32592734 JUYWKAKEKBEGQM-UHFFFAOYSA-N 443.441 1.093 0 40 IDAB CCOC(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 32999915 RVEDGNXWGKTOPN-UHFFFAOYSA-N 429.564 1.766 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)CC(C)(C)C)n2Cc2ccccc2)n(C)c1=O 35291068 MDRVQGBYSOQEGK-UHFFFAOYSA-N 426.521 1.446 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(S(=O)(=O)c2cccs2)CC1 56908061 ZRZAKBMGLZSLAQ-HNNXBMFYSA-N 444.604 1.432 0 40 IDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 57457658 RWWIQSULDCEPOW-UHFFFAOYSA-N 444.561 1.412 0 40 IDAB COc1ccc(C(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)cc1OC 57730206 RFRXOVBKBLNCMQ-CQSZACIVSA-N 445.501 1.565 0 40 IDAB O=C(Cn1ncc2ccccc2c1=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 61597019 HRWBVCVYDSVIRJ-UHFFFAOYSA-N 440.525 1.614 0 40 IDAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 78739160 PXUHKSVLMBUKCL-NSHDSACASA-N 428.458 1.256 0 40 IDAB CCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1C[C@H](OCC)C12CCCCC2 78874758 AZXRPQWAEXRIMV-SJORKVTESA-N 445.564 1.800 0 40 IDAB COC(=O)C1(NC(=O)CN2C(=O)N[C@](C)(CCc3ccc(OC)cc3)C2=O)CCCCC1 89914315 TVTMCTOVMGWYMR-JOCHJYFZSA-N 445.516 1.930 0 40 IDAB O=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 90616711 WJBLYPLFNOZSPT-UHFFFAOYSA-N 443.525 1.946 0 40 IDAB COC(=O)[C@H]1CN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C[C@@H](C)O1 95965897 OSERSORAUJESFA-KBAYOESNSA-N 426.535 1.477 0 40 IDAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(N)=O)c1ccc2c(c1)OCCO2 113965567 UMUBMJHMGQKNEP-UHFFFAOYSA-N 433.486 1.742 0 40 IDAB NCCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 257285985 PJRLKTWKJRBCHX-HTDNTCHWSA-N 442.535 1.362 0 40 IDAB COC(=O)c1cc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc(C(=O)OC)c1 408615266 OFBQJPGLPRNVMJ-UHFFFAOYSA-N 434.470 1.973 0 40 IDAB CC1(C)CC[C@H]2C[C@H](NC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)c3cccc1c32 539618223 SRBJWSHRWBREPV-LRDDRELGSA-N 430.530 1.808 0 40 IDAB CCOC(=O)[C@@H]1CN(Cc2ccco2)C[C@H]2CN(C(=O)c3ccnc(F)c3)CCN2C1 585108165 JMYZTRQIWNMGKU-MSOLQXFVSA-N 430.480 1.635 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCC3(c4ccccc4)CCC3)CC2)cn1 607383582 ZVSIRTLAYRRYPC-UHFFFAOYSA-N 431.562 1.994 0 40 IDAB CCCN(CC1CC1)C(=S)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3315651 YMLVNKJKFDIKQS-UHFFFAOYSA-N 425.576 1.844 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 3344754 WUZRKDKVPDGNOG-KRWDZBQOSA-N 431.514 1.470 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1C 6601809 KYHKSGOFMJKKNF-UHFFFAOYSA-N 437.562 1.518 0 40 IDAB Cn1nc(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2c1=O 9191394 BPZKQCAGTHOYQY-UHFFFAOYSA-N 442.497 1.136 0 40 IDAB O=C(NCc1ccccc1OC(F)(F)F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 9336819 QYXOGMQLFJDGPF-LBPRGKRZSA-N 433.408 1.367 0 40 IDAB COc1cc(C2=NO[C@@](CC(=O)O)(C(=O)NC3CCCCC3)C2)ccc1OCC(N)=O 9348662 XFLWJJSQMSGUJV-NRFANRHFSA-N 433.461 1.346 0 40 IDAB CN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N1CCN(C(=O)c2ccco2)CC1 9349391 JQMBININTOUFGO-UHFFFAOYSA-N 438.406 1.552 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2cccc(OC(F)F)c2)cc1 9451786 CGFODSGGNZOADQ-UHFFFAOYSA-N 428.413 1.451 0 40 IDAB COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)ccc1OCC(N)=O 9486157 FRRYQZDPBNEFAW-HNNXBMFYSA-N 436.472 1.934 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1 9643624 GWORICLPNVNWQD-UHFFFAOYSA-N 434.493 1.870 0 40 IDAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9662363 YWQRTUJSFIWFAH-UHFFFAOYSA-N 442.501 1.854 0 40 IDAB COC(=O)CCn1c(=O)c2c(nc3n(-c4cccc(Cl)c4)c(C)c(C)n23)n(C)c1=O 9829498 XCZWTNZCBHYWKA-UHFFFAOYSA-N 429.864 1.972 0 40 IDAB Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)N[C@H]4CCS(=O)(=O)C4)c3)ccc2[nH]1 10896742 NCENXUKCBSVQHO-HNNXBMFYSA-N 448.526 1.589 0 40 IDAB C[C@H]1CN(C(=O)COC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C[C@@H](C)O1 12622899 LGILDKOVBIQHAN-DTORHVGOSA-N 425.290 1.433 0 40 IDAB CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Br)cc2Cl)CC1 13005558 BRHGZIIWBBNFFB-UHFFFAOYSA-N 431.761 1.805 0 40 IDAB CC1CCN(CCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 13648510 ASAAXWAXRCEPEK-KRWDZBQOSA-N 439.578 1.851 0 40 IDAB O=C(NCCO)c1sc2ncccc2c1[C@H]1CN(C(=O)Cc2ccncc2)CCO1 19696392 VJIVWVKECVWWJL-MRXNPFEDSA-N 426.498 1.556 0 40 IDAB CN(C)CCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2ccnn2C)C1 19702197 RYGQVYRQPKMMDB-AWEZNQCLSA-N 426.546 1.951 0 40 IDAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)C1=O 19797424 GOBNBHQGGNUFIR-UHFFFAOYSA-N 429.502 1.142 0 40 IDAB Cn1c(=O)c2c(nc3n(CCCN4CCOCC4)c(-c4cccs4)cn23)n(C)c1=O 20312353 DKVMXPXNOFFNOQ-UHFFFAOYSA-N 428.518 1.137 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCn1c(=O)oc2ccccc21 24002549 GLSZSPLTZVLEDN-INIZCTEOSA-N 446.529 1.816 0 40 IDAB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3nc(-c4ccccc4)ns3)CC2)no1 32815238 IRXGFJFDPPRKPC-UHFFFAOYSA-N 448.530 1.447 0 40 IDAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38488365 KONVDWGNFRUDEZ-UHFFFAOYSA-N 437.479 1.805 0 40 IDAB COCCNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 40286953 ZKLDTXOYVZWTGM-NHCUHLMSSA-N 425.485 1.485 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)OCC2CC2)c1C 95451507 BAPZMOXGMVRTOK-MSOLQXFVSA-N 438.546 1.114 0 40 IDAB NC(=O)c1cccc(NC(=O)C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 95461284 HDILNSCYKOAZNL-UHFFFAOYSA-N 436.394 1.318 0 40 IDAB CN(c1cccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1)S(C)(=O)=O 220086553 QQYQGYWDSKAOHY-UHFFFAOYSA-N 447.485 1.765 0 40 IDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCNC(=O)C[C@H]1c1ccccc1 245225549 XYJQGTFZYVPFPX-QRWLVFNGSA-N 442.541 1.175 0 40 IDAB CN(C[C@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)c1cccc(OCC(=O)O)c1 257203062 AONDUNGFROJQJS-HSZRJFAPSA-N 436.468 1.807 0 40 IDAB COCCOCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257219349 DGMKFORJIYCWQN-FIXSFTCYSA-N 433.593 1.255 0 40 IDAB CNc1nc([C@H]2CCN(S(=O)(=O)c3ccccc3OC)C2)nc2c1CCN(C(C)=O)C2 257263070 LOGNOONXDDXELC-HNNXBMFYSA-N 445.545 1.610 0 40 IDAB Cc1nc(Nc2cccc([C@H]3CN(S(=O)(=O)N4CCOCC4)CCO3)n2)sc1C 257276318 NTEGXGKAYUXEGS-MRXNPFEDSA-N 439.563 1.849 0 40 IDAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 260941305 RXUFCLGZNAPTKQ-WMLDXEAASA-N 445.969 1.244 0 40 IDAB COc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)cc2)c1 408615772 SAQGRPGTBVDZQN-JKSUJKDBSA-N 441.484 1.563 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408670116 WRFVURHFVPDIFZ-LSOMNZGLSA-N 426.425 1.152 0 40 IDAB O=C(CN1CCN(CCO)CC1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 532460677 YAVHOTOXQLCRJA-UHFFFAOYSA-N 433.556 1.825 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(N[C@H]3CS(=O)(=O)C[C@H]3O)cc2)c(OC)c1 575426267 PYDRDWOQSIQGOR-JKSUJKDBSA-N 442.515 1.074 0 40 IDAB Cc1nc2ccc(OCC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nn2c1C 1888892715 UCHMHCOCJNXOPK-UHFFFAOYSA-N 449.577 1.635 0 40 IDAB COc1cc(C(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)cc(OC)c1OC 1888913810 HQIYCVWAIZPXFM-HOTGVXAUSA-N 438.488 1.667 0 40 IDAB Cc1ccc(C(=O)c2ccc(CC(=O)OCCOCC(=O)OCCOCC(=O)O)[nH]2)cc1 2061000033 VOVUAPDEYSNXPY-UHFFFAOYSA-N 447.440 1.301 0 40 IDAB CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OC 7402954 CEGPBAXRSWZXAA-AFIMGQEJSA-N 426.535 1.802 0 40 IDAB COc1cc(C(c2c(N)nc(SC)[nH]c2=O)c2c(N)nc(SC)[nH]c2=O)ccc1O 8382970 NPWYDDYSMPFFLC-UHFFFAOYSA-N 448.530 1.356 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N(C)Cc2ccccc2)[C@H](C)O)cc1 9052071 FCUGJRISIZQPDB-JXFKEZNVSA-N 434.514 1.225 0 40 IDAB NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)NCc1ccc(F)cc1 9440776 ZWMPVBNMADNIDY-KRWDZBQOSA-N 433.411 1.188 0 40 IDAB O=C(c1cnc2sccn2c1=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9595258 NAECKEYMTGNDTF-UHFFFAOYSA-N 436.490 1.432 0 40 IDAB O=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccccc1 9806031 VSPVNBLLDKQCJT-GOSISDBHSA-N 449.960 1.968 0 40 IDAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 11858232 OGADWHIOPMFKHK-LBPRGKRZSA-N 437.499 1.758 0 40 IDAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1O2 12086419 NZTVOXARYABQQL-GCJKJVERSA-N 449.573 1.679 0 40 IDAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1OC 12389243 GYGMWYWEGMFGMP-UHFFFAOYSA-N 432.458 1.387 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N[C@H](CO)c1ccccc1 13721224 FXQVMMOLMZYWLL-UYAOXDASSA-N 445.541 1.053 0 40 IDAB Cc1nc(C)c(C(=O)NCCc2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)s1 19697761 UMZUDNVCDBWBRP-UHFFFAOYSA-N 444.561 1.595 0 40 IDAB CNc1ncc(C(=O)NCC[C@@H]2C[C@@H](S(=O)(=O)c3ccc(OC)cc3)CCO2)cn1 19712046 IUAJDRGHFIEUQC-AEFFLSMTSA-N 434.518 1.668 0 40 IDAB Cc1nc([C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)nc2c1CCC(=O)N2CCC(C)C 19738784 LWXQHHDMXJKQLY-INIZCTEOSA-N 438.532 1.834 0 40 IDAB Cc1nc([C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)ncc1C(=O)N1CCCCC1 19763345 UNOBXKHUUOPGRM-INIZCTEOSA-N 432.550 1.713 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(CCN4CCOCC4)CC3)C2=O)cc1 19890135 CFRCRZRCYHKJSS-NRFANRHFSA-N 443.544 1.930 0 40 IDAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)ccc2N1S(C)(=O)=O 23316124 IUFPWMTVGCNBDB-NVXWUHKLSA-N 435.546 1.108 0 40 IDAB O=C(Cn1nc(O)c2ccccc2c1=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 23408988 RRKHKJAJBZRGCU-LJQANCHMSA-N 426.448 1.431 0 40 IDAB C[C@H]1Cc2cc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)ccc2N1S(C)(=O)=O 32810550 WWZVSKRDLYKLME-VBKZILBWSA-N 443.525 1.893 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)N3CC(=O)N4CCc5ccccc5[C@@H]4C3)ccc21 36108752 BHIDABILCZRCFU-NRFANRHFSA-N 425.510 1.726 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)NC(=O)NC1CCCC1 36384485 FFRYVHIHMWDOTQ-UHFFFAOYSA-N 434.562 1.250 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)no3)CC2)cc1Br 36392685 MQNIFGUAQYHKRF-UHFFFAOYSA-N 444.307 1.901 0 40 IDAB COc1cccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@@H]3CS(=O)(=O)C[C@H]32)c1 56998124 ACUQBVVMKBDJMN-QZTJIDSGSA-N 430.482 1.438 0 40 IDAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC(c3nnsc3S(C)(=O)=O)CC1)CO2 72392511 PIHHQAWJOHXCFZ-AWEZNQCLSA-N 437.543 1.908 0 40 IDAB COc1ccccc1C(=O)Nc1ccc(-n2nnn(CC(=O)NCc3ccco3)c2=O)cc1 77100274 NFWIJQGMNVXMAY-UHFFFAOYSA-N 448.439 1.599 0 40 IDAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cc1NC(=O)N[C@@H]1CCC[C@H]1C(N)=O 78947531 WAPZNVFUDKASKT-ZJIFWQFVSA-N 430.509 1.546 0 40 IDAB Cc1cccc(NC(=O)c2ccc3nnc([C@H]4CN(S(C)(=O)=O)CCN4C)n3c2)c1 96267997 IXEQOWXURMQHHS-QGZVFWFLSA-N 428.518 1.538 0 40 IDAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 97119222 DXWWBNDPHCQRPY-AWEZNQCLSA-N 426.336 1.875 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](n2ccc3ccccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 101112473 LCOUBIHGTOPVKV-POHUPDAJSA-N 447.440 1.897 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)n1 101413571 PLHFVCVNUQGRTQ-MRXNPFEDSA-N 442.497 1.839 0 40 IDAB O=S1(=O)CC[C@@H](N(CCCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)C1 104895652 SNGDAIKCVANXGO-MRXNPFEDSA-N 436.983 1.240 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2ccccc2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 106384114 KJHQVFWBNCVROC-VIYGXFRKSA-N 437.445 1.030 0 40 IDAB CC1=NN(C)[C@@H]2C(N3CCN(CC(=O)c4cccc(Br)c4)CC3)=NC=N[C@@H]12 222251933 AWFOCXPRMSCNGN-ROUUACIJSA-N 431.338 1.748 0 40 IDAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)c1 223778003 OAIMXAMMQUACQR-UHFFFAOYSA-N 437.499 1.969 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC[C@H]1COc2ccccc2O1 225273308 NCQPOEWSACXSBT-KRWDZBQOSA-N 445.541 1.501 0 40 IDAB Cc1nc(C)c(CC(=O)NCc2cccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)c2)c(O)n1 257238834 HMSFLXDXHDSART-LRQRDZAKSA-N 425.489 1.765 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OCC)c(C)c2)CC1 408619639 IAUGWFIUVUVKLP-HNNXBMFYSA-N 426.535 1.862 0 40 IDAB NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)Cn3c(O)nc4ccccc4c3=O)c2)C1 518141335 PYPSCWQMPLSORS-SFHVURJKSA-N 449.511 1.116 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)cc1 1888904412 WKKFATBDRSFMCL-QZTJIDSGSA-N 441.557 1.813 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(C(=O)c5cc(C(C)(C)C)n[nH]5)C[C@H]4C3)ncnc21 1888920857 ZDVSQCUUPFGWLD-HUUCEWRRSA-N 438.536 1.702 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1 9037444 NQFQFKHXVSBNGI-CYBMUJFWSA-N 434.470 1.764 0 40 IDAB CCN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9125960 HMSDKLLDNKNQDC-OAHLLOKOSA-N 431.543 1.943 0 40 IDAB COCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 9519838 JBJLMXGBIFQUKD-UHFFFAOYSA-N 435.546 1.580 0 40 IDAB COc1ccc(OC)c(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)c1 10102640 RDVNVGRVHZYUCD-ZDUSSCGKSA-N 429.477 1.084 0 40 IDAB Cc1ccnn1CCC(=O)N1CCC(c2nc(N3CCCC3)ncc2S(C)(=O)=O)CC1 12133256 SUSNVLYGMVBSDJ-UHFFFAOYSA-N 446.577 1.782 0 40 IDAB C[C@H](CNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 15968324 QTKREROYBHNMOS-MCJRTORMSA-N 434.533 1.851 0 40 IDAB biogenic CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 17526806 FQLKSQAGRCAXRX-UHFFFAOYSA-N 446.533 1.843 0 40 IDAB Cc1ccc(CC(=O)NCCc2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)cc1 19697834 ZQDVNFYNGJVUPQ-UHFFFAOYSA-N 437.544 1.759 0 40 IDAB CCCN1C[C@H](C(=O)N2CCC(c3ccc(C(=O)N4CCN(C)CC4)cn3)CC2)CC1=O 19708372 JQRHQODNAUXTCG-HXUWFJFHSA-N 441.576 1.434 0 40 IDAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC 19991029 AZORFXVNRCKAPP-HSZRJFAPSA-N 426.469 1.801 0 40 IDAB O=C(c1ccc(CS(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 20495735 CRSHEAMBKOPCKM-UHFFFAOYSA-N 447.532 1.950 0 40 IDAB Cc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(C)CC1 22851281 OWYJKLNYEVWGDT-HXUWFJFHSA-N 438.528 1.445 0 40 IDAB COc1cccc([C@H](CNC(=O)C(=O)NCc2ccccc2OC)N2CCOCC2)c1 23107147 PRPJGOAPPOZGRD-FQEVSTJZSA-N 427.501 1.510 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 23702360 NQTMUBVIWLFGTL-UHFFFAOYSA-N 439.538 1.056 0 40 IDAB C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(-n2cncn2)cc1 24651483 YTVYRNKSTLXCIQ-MRXNPFEDSA-N 441.513 1.779 0 40 IDAB COC(=O)[C@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 30886051 IBARDHRNRXRCBT-AWEZNQCLSA-N 436.534 1.358 0 40 IDAB COc1ccc([C@H](CNC(=O)CCn2ncc(=O)c3ccccc32)N2CCOCC2)cc1 32820501 HLBRTSFYLDHZBP-QFIPXVFZSA-N 436.512 1.985 0 40 IDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)O)C(=O)N2CCc1ccc(S(N)(=O)=O)cc1 34087042 RVWRTFMKECWWMR-MDKPJZGXSA-N 430.482 1.702 0 40 IDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1 36240393 LLWGQYCHEWSFOX-UHFFFAOYSA-N 442.396 1.357 0 40 IDAB CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)[C@@H]3CCS(=O)(=O)C3)n2)cc1 58045440 QODRURAEIYAQRM-GFCCVEGCSA-N 429.545 1.434 0 40 IDAB O=C(CCc1nnc(O)[nH]c1=O)NC1CCN(CC2(c3ccccc3)CCCC2)CC1 72393429 AFEBMCRQUDSRJT-UHFFFAOYSA-N 425.533 1.896 0 40 IDAB O=C(Nc1nc2c(s1)CN(C(=O)Cn1c(=O)oc3ccccc31)CC2)[C@@H]1CCCO1 77192042 XYLHRDCYBFKFEM-HNNXBMFYSA-N 428.470 1.753 0 40 IDAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CC[C@@H](OCCN2CCOCC2)C1 84544117 AFRVUQKUNRLBHJ-PJVWNMJMSA-N 433.593 1.659 0 40 IDAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222897299 IZDLWHIAAHGXHY-MRXNPFEDSA-N 435.521 1.798 0 40 IDAB Cc1nccn1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 257297062 RFPZZCKHCJEILM-UNMCSNQZSA-N 439.560 1.652 0 40 IDAB Cn1ccc(C(=O)N2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccn2)C3=O)n1 306123247 AIKQIUTZIWYXHT-AUSIDOKSSA-N 432.484 1.248 0 40 IDAB CN1CCn2c(C(=O)N3CCOCC3)nnc2C12CCN(Cc1ccc(F)cc1)CC2 306143640 YHNIQGCEICKXLR-UHFFFAOYSA-N 428.512 1.326 0 40 IDAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c3c(c2)OCO3)C1=O 409240254 PFLKXKLJRJUKMU-VGOFMYFVSA-N 425.397 1.964 0 40 IDAB Cn1cc(S(=O)(=O)NCc2noc([C@@H]3CCC(=O)N3CCc3ccccc3)n2)cn1 1775964108 SBWNXSXHQKVXIJ-INIZCTEOSA-N 430.490 1.188 0 40 IDAB biogenic,in-vitro COc1ccc(-c2ncnc(N3CC(N(C)S(=O)(=O)c4cn(C)c(C)n4)C3)c2F)cc1 1775974703 ZUORUUWYINCFLK-UHFFFAOYSA-N 446.508 1.843 0 40 IDAB CCOc1ccccc1S(=O)(=O)N1C[C@H]2CN(c3ccc4nnc(C)n4n3)C[C@@H]2C1 1888920869 KWMCOIYGDLRSRD-HZPDHXFCSA-N 428.518 1.588 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](n2cnc3[nH]c(=S)[nH]c(=S)c32)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4879178 WDKGFQFLEBLBAV-AVNXNWIJSA-N 442.475 1.475 0 40 IDAB C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8760450 QDZXBMVBTFSPAQ-GOEBONIOSA-N 445.497 1.253 0 40 IDAB CCOc1ccc(N2CCn3c2nn(CC(=O)NCc2ccc(F)cc2)c(=O)c3=O)cc1 8849463 IFMXLAKKACNRSF-UHFFFAOYSA-N 439.447 1.411 0 40 IDAB O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(-n2cnnn2)c1 8877194 XERALSWCOJMJAG-UHFFFAOYSA-N 429.458 1.040 0 40 IDAB O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)Nc1ccc2c(c1)OCO2 9001361 UDVCZINFCIKZEJ-UHFFFAOYSA-N 431.408 1.369 0 40 IDAB C[C@H]1CSC(N(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccc(Cl)cc2)=N1 9125595 ZZZMFMLRVHBSCV-NSHDSACASA-N 446.920 1.612 0 40 IDAB CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O)[C@H]1CCS(=O)(=O)C1 9665600 RVAVOCWUGQBIKN-XOBRGWDASA-N 433.486 1.235 0 40 IDAB O=C(c1cnc2ccccn2c1=O)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089449 HKIHCQYWQIZEPC-IBGZPJMESA-N 439.497 1.277 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2C)cc1 12557036 ORVULNYUMGQHKD-INIZCTEOSA-N 438.527 1.721 0 40 IDAB CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 13564829 VVWSXINGABVMDJ-UHFFFAOYSA-N 431.514 1.526 0 40 IDAB Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)NC[C@@H]1CCCO1 15019790 CGOVWJLWNNTRFD-HNNXBMFYSA-N 439.563 1.169 0 40 IDAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 17638043 WWWWLCSLLIKJAF-CYBMUJFWSA-N 429.420 1.994 0 40 IDAB Cc1ccc(C(=O)N(C)C[C@H]2CCN(C)C2)c(N2CCN(C(=O)c3ccco3)CC2)n1 19134517 VXBUDYGYUHYHQX-SFHVURJKSA-N 425.533 1.969 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)[C@@H]3CC=CCC3)C1)C2=O 19699584 MIRWNVRBYQFKEK-QZTJIDSGSA-N 430.549 1.903 0 40 IDAB CCc1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1 20518535 ZGBCEOCUJLPGDF-UHFFFAOYSA-N 436.516 1.342 0 40 IDAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 23107261 NOBJTEMIQJLOKS-GOSISDBHSA-N 429.448 1.725 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 23234428 YTEKLLIICZQKOC-OAHLLOKOSA-N 432.454 1.978 0 40 IDAB O=C(Cn1c(=O)ncc2c1cnn2[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(Cl)c1 32642397 NCBXVKZPBNLZTQ-LLVKDONJSA-N 439.856 1.384 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)Cn3ccnc3)CC2)cc1OC 32912129 ADSYQKZWCSVYCL-HNNXBMFYSA-N 436.534 1.506 0 40 IDAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 44883275 XAMZJODODITEGT-UHFFFAOYSA-N 447.498 1.901 0 40 IDAB COc1ccc(N2C[C@@H](NC(=O)NCCN3CCN(c4ccccc4)CC3)CC2=O)cc1 56925358 XXOPSEVGJCYSMY-IBGZPJMESA-N 437.544 1.922 0 40 IDAB COC(=O)c1ccc(CN2CCN(c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)cc1 56938973 WTGLIJWZUISCKR-HXUWFJFHSA-N 446.573 1.968 0 40 IDAB Cc1ccc2oc(=O)n(CC(=O)N3CCC(c4nnsc4S(C)(=O)=O)CC3)c2c1 72392505 AKIRHACBNXJDRB-UHFFFAOYSA-N 436.515 1.564 0 40 IDAB CCOC(=O)CN1C(=O)[C@@]2(N[C@@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c2ccccc21 100158853 KSXPGDMDBZILQH-ADPCTKTASA-N 433.464 1.589 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)C3[C@@H]4[C@@H]3[C@@H]3CC[C@@H]4C3)nc2C1 100238761 WVDUAZJYPNDDPK-XYFLEOOXSA-N 432.546 1.456 0 40 IDAB O=S(=O)(c1ccc(F)cc1F)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224326466 KZLQIEGRLFTNRK-UHFFFAOYSA-N 425.461 1.102 0 40 IDAB Cn1cnc(S(=O)(=O)N2CCCN(C(=O)c3cc(Br)cs3)CC2)c1 238931332 VCMAFTWLDPDQGI-UHFFFAOYSA-N 433.353 1.781 0 40 IDAB Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CC4)[C@H](C(=O)NC4CCCC4)[C@@]34C=C[C@@]2(C)O4)no1 245227216 GIROLZLCWUZLJH-NMIRTCPBSA-N 440.500 1.683 0 40 IDAB COc1cc(CN2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)ccc1OCC(N)=O 257290218 QCBHHCOAGAPTMF-QFIPXVFZSA-N 435.484 1.985 0 40 IDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)cc1 260833577 ZFOILSKLPMEZAQ-LJQANCHMSA-N 448.497 1.673 0 40 IDAB COc1ncc(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4ncc(C)cn4)C3)C2)cc1C 585102327 ZPGUCKPFCGAFEU-PGRDOPGGSA-N 427.505 1.173 0 40 IDAB COc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 784190 MOXBMXROCMEAEX-UHFFFAOYSA-N 445.541 1.923 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)COc2ccc(Br)cc2)cc1 3437707 WGFSAUFSQHJSDZ-UHFFFAOYSA-N 443.275 1.657 0 40 IDAB O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC(=O)NC1CCCC1 8325381 XRJCSCGJAOJQTP-UHFFFAOYSA-N 426.514 1.291 0 40 IDAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c(C)c1 9119520 JKJWGLWDYVJTLA-UHFFFAOYSA-N 425.474 1.208 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1C 9377354 YOPGGWQCSCXVEE-UHFFFAOYSA-N 426.539 1.297 0 40 IDAB COCCNC(=O)NC(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9545342 VYWTYQYHFAHAKK-UHFFFAOYSA-N 425.869 1.208 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccccc2C)cc1 9576418 FARWGVPDEUYCHB-FQEVSTJZSA-N 445.541 1.473 0 40 IDAB CC(C)[C@@H](OC(=O)c1ccccc1S[C@@H](C(=O)NC(N)=O)C(C)C)C(=O)NC(N)=O 9963314 POWPEOPILIVMCT-ZIAGYGMSSA-N 438.506 1.375 0 40 IDAB Nn1c(COc2ccccc2F)nnc1SCC(=O)NC(=O)NCc1ccccc1 9980959 ZOMYEGIGIPQXTH-UHFFFAOYSA-N 430.465 1.828 0 40 IDAB COc1ccc([C@@H]2C[C@H](C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)cc1OC 12129873 WFNFNDFWLOHRSE-LSDHHAIUSA-N 425.532 1.661 0 40 IDAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 13110097 GUCHXODHYYVEIX-QGZVFWFLSA-N 445.541 1.932 0 40 IDAB NC(=O)c1c(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)sc2c1CCC2 13624202 WKMXVNOPRYAERE-UHFFFAOYSA-N 434.543 1.874 0 40 IDAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(OC)cc(OC)c2)c1=O 13992289 BOGGMFLVKYFHOZ-UHFFFAOYSA-N 427.457 1.856 0 40 IDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 15321199 MYWCWFQSYFABBN-UHFFFAOYSA-N 434.452 1.865 0 40 IDAB CN1CCC[C@@H](NC(=O)[C@H]2[C@@H](C(=O)NCc3ccncc3)[C@@]2(C)C(=O)c2ccccc2N)C1 19576099 ZNACGDPKWXENNB-MTPHGBLSSA-N 449.555 1.626 0 40 IDAB COc1cccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)CC2=O)c1 20736868 LPLYALSWLNGKJM-OAHLLOKOSA-N 449.554 1.643 0 40 IDAB Cc1cc(=O)c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)nn1-c1cccc(C(F)(F)F)c1 21474553 JQCYLCWMYWPTRR-UHFFFAOYSA-N 449.389 1.374 0 40 IDAB CNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c1 23949806 BGLYMJNMYZCOQL-HXUWFJFHSA-N 430.486 1.183 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 28258767 NJURKQARDZKABS-UHFFFAOYSA-N 426.834 1.813 0 40 IDAB CC[C@@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 36228996 RMXBDFAGPSILAI-TZMCWYRMSA-N 432.926 1.869 0 40 IDAB Cc1nc(COc2ccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)cs1 57373484 SVZHFTNRRPQGPO-SFHVURJKSA-N 435.571 1.975 0 40 IDAB COCc1cc(=O)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(N2CCOCC2)n1 67219928 WYURNAGPZQOEOL-UHFFFAOYSA-N 426.395 1.884 0 40 IDAB CCN1CCN(C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccc(OC)cc2O3)CC1 72327495 RUDBQLNSGWMOCE-WAIKUNEKSA-N 444.532 1.079 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)NCCCN3CCN(c4ccccc4)CC3)cc21 96025716 YOIWNSWIQSJZNT-UHFFFAOYSA-N 430.530 1.622 0 40 IDAB O=C(CNC(=O)c1cccc(O)c1)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 97165554 MMHASOHKDZKYOI-UHFFFAOYSA-N 440.456 1.042 0 40 IDAB O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)NCc1ccc(Cl)cc1 98213208 XKJXHLHNUQEPMG-UHFFFAOYSA-N 443.866 1.810 0 40 IDAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 100033012 IQTAYBXSABNVRF-UXHICEINSA-N 435.440 1.952 0 40 IDAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 102342455 FAPJLWGAGCABTC-AZHAFVHUSA-N 430.935 1.757 0 40 IDAB CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CC[C@H](c2nn(C)cc2-c2ccncc2)CC1 257214772 CNJRYOIYAHMDAN-JCNLHEQBSA-N 434.566 1.268 0 40 IDAB Cc1cn([C@H]2CN(C(=O)c3ccc(OCCN4CCCCC4)cc3)C[C@@H]2O)c(O)nc1=O 257260742 LEDNEFMXJSSPAE-PMACEKPBSA-N 442.516 1.180 0 40 IDAB Cc1csc(Nc2cccc(C(=O)N3C[C@@H](O)[C@H](n4cnc5c(N)ncnc54)C3)c2)n1 257262962 LNTZTIOUWGMVAG-HUUCEWRRSA-N 436.501 1.975 0 40 IDAB CC(=O)N[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2ccccc2OCC(=O)O)[C@H]1c1ccccc1 257308646 TXNFFKKTBJFYPJ-UWVAXJGDSA-N 426.425 1.695 0 40 IDAB Cc1cnc(CNC(=O)c2cn3c(nc2=O)[C@]2(CCN(C(=O)c4ccccc4)C2)CC3)cn1 306123565 AQIXIEVGXDYOBB-DEOSSOPVSA-N 444.495 1.459 0 40 IDAB CC(C)N1[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N(C)c2ncccc2S1(=O)=O 306131332 KCBLEAYNWBIJOF-SJORKVTESA-N 430.530 1.912 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)NCCCO 408627212 YKJREPXJZYFSAA-UHFFFAOYSA-N 438.933 1.964 0 40 IDAB Cc1ccc(CNC(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)c(Oc2ccccc2)c1 573706261 UFUJASCTWOFKFN-UHFFFAOYSA-N 436.472 1.722 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147771 ZKRVVJXPHQOQGH-UHFFFAOYSA-N 439.497 1.247 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 585286807 IYPBWKDACXJCLQ-NRFANRHFSA-N 426.485 1.251 0 40 IDAB O=c1ccc(-c2cccnc2)nn1CC1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1 585605296 ZRYQSBZJHWBULJ-UHFFFAOYSA-N 428.378 1.898 0 40 IDAB C[C@]1([C@H]2CCCN(C(=O)CCSCc3nc(O)c4ccccc4n3)C2)NC(=O)NC1=O 610659348 OGRODXYAZRQNFX-YEJXKQKISA-N 443.529 1.795 0 40 IDAB COCc1nc2ccccc2n1CC(=O)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 2037880152 JJSDSSJSHYUSML-JOCHJYFZSA-N 427.480 1.865 0 40 IDAB CC(=O)O[C@H]1CO[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4974831 PMTIEPHCACAGRT-AYIJCJCZSA-N 447.231 1.457 0 40 IDAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C(=O)NC(N)=O 9050274 VLPXDDSGAGMREQ-CYBMUJFWSA-N 431.470 1.174 0 40 IDAB CCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)s1 9120052 RQIZMACWSSFYIP-UHFFFAOYSA-N 438.531 1.911 0 40 IDAB COc1ccccc1-n1cnnc1SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 9314677 XHGKREMZTCUVDH-UHFFFAOYSA-N 430.490 1.654 0 40 IDAB Cn1nc(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2c1=O 9764448 GKKUGELLOKWZDU-UHFFFAOYSA-N 426.498 1.899 0 40 IDAB COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 13031490 CIKINJPSXMCAHI-UHFFFAOYSA-N 425.457 1.918 0 40 IDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)c1 13112526 PLNVYBHYPRJWAT-UHFFFAOYSA-N 434.861 1.191 0 40 IDAB CC(=O)N1CCN(C(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 13637228 JEIGDJJWIRGHKO-UHFFFAOYSA-N 446.982 1.222 0 40 IDAB CN(C)CCNC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 13674180 YIMCAIYBJGXCOU-UHFFFAOYSA-N 430.574 1.485 0 40 IDAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(-n2cnnn2)cc1 13986381 RGCXICZCSBWOOD-UHFFFAOYSA-N 439.435 1.803 0 40 IDAB C[C@@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 16818730 JOEADMBMMRNAFS-GFCCVEGCSA-N 433.515 1.386 0 40 IDAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1 19209736 IFWOVMLQJKTXSU-LJQANCHMSA-N 444.557 1.692 0 40 IDAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC(C(N)=O)CC1)CC1(CCN(C)CC1)O2 19218496 AGDWBWFZOLANHV-UHFFFAOYSA-N 428.533 1.018 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)NCc3ccncc3)CC1)O2 19219069 OHNUDWQOLAXBIB-MZNJEOGPSA-N 436.512 1.968 0 40 IDAB Cc1csc2c([C@@H]3CCCN(C(=O)CCC(=O)N4CCC[C@H]4C(N)=O)C3)nc(C)n12 19240399 OILLKQDLKPSJOZ-CVEARBPZSA-N 431.562 1.975 0 40 IDAB CN(C)C(=O)c1c[nH]nc1C1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 19581398 XXXQHOMKPHZGNV-UHFFFAOYSA-N 445.545 1.453 0 40 IDAB COc1ccc2c(c1)C(=O)N(CC(=O)N1CCCCC1)C[C@]1(CCC(=O)N(C)CC1)O2 19588463 CBWZCYWXZMHJGR-HSZRJFAPSA-N 429.517 1.923 0 40 IDAB CN1CCN(C(=O)c2cc([C@H]3CCN(C(=O)Cn4cccn4)C3)nc3ccccc23)CC1 19761537 RVAGKQKDIRKZOR-SFHVURJKSA-N 432.528 1.835 0 40 IDAB CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)Cn3cccnc3=O)CCO2)nc2ccccc12 19762871 IRRZDNKJYZBXEQ-NRFANRHFSA-N 449.511 1.777 0 40 IDAB Cc1cccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)c1 19973432 PVUGTRODGHZLAS-UHFFFAOYSA-N 445.541 1.834 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 20033507 FHXATRWLLOKQJT-UHFFFAOYSA-N 444.506 1.334 0 40 IDAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)ccc21 20488372 GKZRHVYZHNQQMZ-UHFFFAOYSA-N 444.513 1.291 0 40 IDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCN(C/C=C/c2ccccc2)CC1 20665442 NBZILDKSSXHTRV-RMKNXTFCSA-N 447.543 1.315 0 40 IDAB O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)N1CCOCC1 22577647 PCKCGMITUNHSJS-UHFFFAOYSA-N 427.501 1.195 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CCN(CCN2CCCC2)CC1 22915754 SALYLHHXNSLSMZ-UHFFFAOYSA-N 444.601 1.748 0 40 IDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc2c(c1)OCCCO2 32747320 ISTAFHLDULEBLG-CYBMUJFWSA-N 444.465 1.701 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCc2cn3ccccc3n2)c1 32945490 PRGGFSUSWMAXKK-UHFFFAOYSA-N 444.513 1.778 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(Cn3c(=S)oc4ccccc43)CC2)C[C@@H](C)O1 36823746 UDAQHNKEPMDNOH-GASCZTMLSA-N 426.564 1.893 0 40 IDAB C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cn2)CCO1 40112428 VPSSHKOBJPMNIM-INIZCTEOSA-N 429.521 1.520 0 40 IDAB CCOCCCNC(=O)C1CCN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1 48343313 JAZAWTBPGNUYPE-HXUWFJFHSA-N 446.527 1.686 0 40 IDAB NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCN(C(=O)c2ccccc2F)CC1 69970506 WCZJOPAXAYSXSZ-UHFFFAOYSA-N 426.492 1.488 0 40 IDAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NCc1ccc(N2CCOCC2)nc1 72276884 GVJNBWSBMRKVLI-QFIPXVFZSA-N 449.511 1.010 0 40 IDAB CN1CCN([C@H](C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c2ccccc2)CC1 72298149 XZHDYFBJJFSBAH-SFHVURJKSA-N 426.483 1.892 0 40 IDAB Cc1cc(-c2cnc(C)nc2C2CCN(CC(=O)N3CCC(C(N)=O)CC3)CC2)on1 72334655 PQTOSWFGJLSDDN-UHFFFAOYSA-N 426.521 1.652 0 40 IDAB COCCN1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)c3ccc(C)nc3)n2)CC1=O 72370124 BCYDQQFWCLENMW-KRWDZBQOSA-N 426.521 1.481 0 40 IDAB CCn1cc(CN2CCc3nc(C4CCN(C(=O)[C@@H]5CCCO5)CC4)[nH]c(=O)c3C2)cn1 72398936 IIIXNNHPGBRXSE-FQEVSTJZSA-N 440.548 1.430 0 40 IDAB Cn1nnnc1SCC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 77200567 ZDKOSTYDRYSAFK-UHFFFAOYSA-N 425.522 1.053 0 40 IDAB C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@H](C)N1CCOCC1 79069547 LLFGYPFXQRQGRW-KGLIPLIRSA-N 433.368 1.696 0 40 IDAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 96114942 ULXZQPPGHCNZRE-IBGZPJMESA-N 431.452 1.982 0 40 IDAB biogenic O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)NCCCc1ccccc1 98213095 ICJWHKZWWJYGGV-UHFFFAOYSA-N 437.475 1.589 0 40 IDAB CN(C)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1 244535231 ZVKYQLKURXJSCW-CYBMUJFWSA-N 425.370 1.189 0 40 IDAB CCn1cc(CN2C[C@H]3[C@@H](C2)Oc2ncccc2S(=O)(=O)N3Cc2ccccn2)cn1 306135129 OIQIHOBMZLWADW-RBUKOAKNSA-N 440.529 1.529 0 40 IDAB Cc1ccc(N2CC(N(C)C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)nn1 1888897537 PHIMWBNINZXKEN-UHFFFAOYSA-N 429.546 1.920 0 40 IDAB C[C@@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1ccccc1O 2133893 LPLHLJDAFSPKOR-QAXQKDMVSA-N 436.461 1.232 0 40 IDAB biogenic O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1ccccc1O 3264610 CGTVNIRPYABOPK-UHFFFAOYSA-N 449.554 1.859 0 40 IDAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 8602401 OSFUCVZWRXLFJC-CYEGBWLXSA-N 449.488 1.922 0 40 IDAB CC(C)[C@H](NC(=O)C[C@@H](CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1)C(=O)O 9166810 OQTNDPAZRDATFF-QRTARXTBSA-N 427.954 1.818 0 40 IDAB biogenic CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)O 9791502 UJYYIICGCLGEOJ-IOASZLSFSA-N 430.548 1.421 0 40 IDAB Cn1nc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c2ccccc2c1=O 9797200 KSKRQWHIMPIKIL-HNNXBMFYSA-N 445.479 1.991 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 10022436 STUSTZHLQJCGLY-CMDGGOBGSA-N 432.454 1.796 0 40 IDAB CC(=O)N[C@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccccc1 10629649 UUEQFWXXLQTAOC-GOSISDBHSA-N 447.513 1.619 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c2ccccc21 11452139 WHRLDNTZEKSSPX-UHFFFAOYSA-N 448.570 1.854 0 40 IDAB NC(=O)[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2O1 12555028 LWMRTOHJYZHORJ-IBGZPJMESA-N 444.513 1.163 0 40 IDAB Cc1cccc2c(=O)n(CCC(=O)N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)cnc12 12858194 LVMNONHLIXBAKA-UHFFFAOYSA-N 448.479 1.808 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCSCc2ccco2)cc1 13149942 LSAXYGOSUWXWPJ-CYBMUJFWSA-N 425.532 1.954 0 40 IDAB CCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(CC)c3)CC2)cc1 13949853 OWOJECWLCYFBFJ-UHFFFAOYSA-N 440.591 1.941 0 40 IDAB O=C1C[C@H](C(=O)Nc2ccc3c(c2)OCO3)NC(N2CCN(Cc3ccccc3)CC2)=N1 14606988 RGOBJNKFGKROJK-GOSISDBHSA-N 435.484 1.416 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)nc1N 14636837 PCHCGQUPCNZAPY-ZDUSSCGKSA-N 442.563 1.286 0 40 IDAB COCCN(C(=O)c1ccc(OC(F)F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14721272 AASQGOJOYTXUFD-UHFFFAOYSA-N 426.420 1.669 0 40 IDAB COCCN1C[C@@H](C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)CC2)CC1=O 19128464 YRXIXBRNYPUOLS-YESZJQIVSA-N 439.507 1.915 0 40 IDAB O=C1CN(CC(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4F)cc3)C2)C(=O)N1 19368391 MQIOCQYRGLAACD-KRWDZBQOSA-N 438.459 1.162 0 40 IDAB Cc1ccc2oc(=O)n(CC(=O)N(C)Cc3cc(N(C)C)nc([C@@H]4CCCNC4)n3)c2c1 19709670 OIECWDOOBGVDBB-MRXNPFEDSA-N 438.532 1.885 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(OC)c(C)c2)CC1 19929812 OORMKMTUQJYXFW-UHFFFAOYSA-N 426.535 1.816 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(OC)c(C)c2)CC1 19929852 BRWWSIFHIAWGLH-UHFFFAOYSA-N 427.523 1.315 0 40 IDAB COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566863 NKZXHBWKHXAHSY-MTXNFPGFSA-N 435.480 1.392 0 40 IDAB COCCn1nc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1=O 22521558 RPEGSLRMMNGYEP-UHFFFAOYSA-N 425.411 1.656 0 40 IDAB CN1[C@@H](CCC(=O)NCc2cccnc2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 22921049 RKASRVSDWAKFRZ-XJUOHMSHSA-N 439.535 1.690 0 40 IDAB biogenic,in-vitro COC(=O)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 22922256 VOSPIVDKBBNPDD-IBGZPJMESA-N 428.485 1.759 0 40 IDAB COc1ccc(CCN2C[C@@H](C(=O)NCC(C)(C)N3CCOCC3)CC2=O)cc1OC 23653582 ZGJVDYBGRNKGLU-SFHVURJKSA-N 433.549 1.322 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 23702567 ZEYZXBSLNHDXMQ-DJJJIMSYSA-N 439.538 1.056 0 40 IDAB CCNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)NCc4ccco4)c(=O)c3s2)C1 33141266 NMZBAMDXNYOALO-ZDUSSCGKSA-N 444.517 1.115 0 40 IDAB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 40081144 QSPOBEDRXULVEY-IRXDYDNUSA-N 427.592 1.585 0 40 IDAB CC(=O)N1CCN(C(=O)[C@H](C)S(=O)(=O)Cc2csc(Cc3ccccc3)n2)CC1 40106422 GEQWDVMUMNCUCB-HNNXBMFYSA-N 435.571 1.728 0 40 IDAB COc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)cc1 55190424 JFJVTDXEAMPWLD-UHFFFAOYSA-N 444.919 1.861 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)CC1 56903796 XFSBUGLELZKPHB-KRWDZBQOSA-N 447.536 1.603 0 40 IDAB COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1 57426563 YOEGNSZJWGEWIP-INIZCTEOSA-N 429.498 1.577 0 40 IDAB COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)cc1 57730269 HFXWBJPPVFIZTP-OAHLLOKOSA-N 443.485 1.334 0 40 IDAB CCN1C(=O)C[C@@H](N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4CC)CC2)C1=O 71796198 LVTXFKKAGYPRHE-GOSISDBHSA-N 444.463 1.128 0 40 IDAB COc1ccc2c(c1)CN(C(=O)[C@@H]1CCC(=O)NC(=O)N1)C[C@@]1(CCCN(C)CC1)O2 72394502 NONDFEBESQEWGC-JTSKRJEESA-N 430.505 1.259 0 40 IDAB COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)NCCn1cnnc1C1CC1 89420782 HVFFBVBDOMYSOC-UHFFFAOYSA-N 444.311 1.004 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCc3nc(N4CCOCC4)nc(N(C)C)c3CC2)cc1 96083910 QYPZUQSUMYZGEV-UHFFFAOYSA-N 431.562 1.477 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCN3C(=O)C3[C@@H]4[C@@H]3[C@@H]3CC[C@@H]4C3)nc2C1 100238763 WVDUAZJYPNDDPK-FBHBFLDISA-N 432.546 1.456 0 40 IDAB CCOc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)N1CCCC1 408699856 ZTNKGVPHZHLUAP-UHFFFAOYSA-N 425.551 1.322 0 40 IDAB O=S1(=O)CC[C@@H](N(C[C@H](O)CO)S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 575422126 LKOIDDJWXGLVEJ-MSOLQXFVSA-N 431.576 1.265 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N([C@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1 575423813 QIDZSZWZGWSQIN-IYBDPMFKSA-N 435.589 1.175 0 40 IDAB Cc1ccc(S(=O)(=O)N2Cc3ccnn3[C@H](CC(=O)NCC3CCOCC3)C2)cc1 585095168 HOBODMZVHSJUDA-LJQANCHMSA-N 432.546 1.870 0 40 IDAB Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 919831 SVVVAAOGSSFPAP-UHFFFAOYSA-N 437.485 1.745 0 40 IDAB O=C1N[C@@H](Cc2cccs2)C(=O)N2CC[C@H](NS(=O)(=O)c3cccs3)C[C@@H]12 3839770 CTKHPSKEGUQDSE-UBHSHLNASA-N 425.557 1.189 0 40 IDAB biogenic,in-vitro CC(=O)O[C@H]1CO[C@@H](n2cc(C(=O)C(=O)O)c3ccccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 6073953 GKASZHXFBQGIKI-MTFMMBMASA-N 447.396 1.233 0 40 IDAB CCOC(=O)c1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCOC)c(=O)n2C)cc1 8724517 QMHZQRLPVCIKGT-AWEZNQCLSA-N 441.488 1.508 0 40 IDAB CCS(=O)(=O)N(C(C)=O)c1ccc2c(c1)c(C(=O)OC)c(C)n2S(=O)(=O)CC 8870453 KWTQWCGFKGEDLS-UHFFFAOYSA-N 430.504 1.637 0 40 IDAB CCCCN(C(=O)c1ccccc1-n1cnnn1)c1c(N)n(CCCC)c(=O)[nH]c1=O 8877429 RIQMNTQZQVJXIY-UHFFFAOYSA-N 426.481 1.342 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)Nc1nnc(SCC(=O)N2CCOCC2)s1 9226842 JLCYLTUFFJRYCA-UHFFFAOYSA-N 435.487 1.036 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 9627806 WJIIMONPBZAFSE-UHFFFAOYSA-N 444.538 1.944 0 40 IDAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1cccc(F)c1 9666031 XQHASIBMEQILPY-UHFFFAOYSA-N 440.424 1.781 0 40 IDAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 12531425 ORLCDPTWBAMXNK-HNNXBMFYSA-N 445.570 1.491 0 40 IDAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 12891097 LXYQBJJYNFKJTN-UHFFFAOYSA-N 447.517 1.467 0 40 IDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13112647 AZSCDBFDAJIJAD-UHFFFAOYSA-N 442.497 1.503 0 40 IDAB CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCOCC1 17124366 OKPXKZYHRPJYQM-UHFFFAOYSA-N 444.985 1.467 0 40 IDAB O=C(OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1cccc(N2CCCC2=O)c1 19356366 UKLDYWUQSBFMHV-LJQANCHMSA-N 448.541 1.929 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](c3c(C)c(=O)nc4n3CCC4)C2)CC1 19520267 CVWJFCCFPHMWPE-KRWDZBQOSA-N 436.578 1.266 0 40 IDAB COc1ccc(S(=O)(=O)N2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)cc1 19589788 ZBDAMAWFQPSWBD-IFMALSPDSA-N 433.574 1.959 0 40 IDAB CC[C@H](C(=O)N1CCc2c(nc(C3CCN(C(C)=O)CC3)nc2NC)C1)N1CCOCC1 19710692 CPHRBHOVWQKQAK-HXUWFJFHSA-N 444.580 1.240 0 40 IDAB CCOc1ccc(-n2c(=O)[nH]c(O)c([C@@H]3NCCc4cc(OC)c(OC)cc43)c2=O)cc1 20113891 GSVXWGPGZDCDBV-HXUWFJFHSA-N 439.468 1.882 0 40 IDAB biogenic O=C(O)CN1C(=O)COc2ccc(S(=O)(=O)Nc3cccc(NC(=O)C4CC4)c3)cc21 23144827 WSYOLJUQNBRLRS-UHFFFAOYSA-N 445.453 1.646 0 40 IDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(C)c(O)c(C)c1)n2CCN1CCOCC1 32668219 GQFXYHQCRDVHBQ-UHFFFAOYSA-N 427.505 1.618 0 40 IDAB CN(C)C(=O)c1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 32904889 FGHKXVWYHOUCME-UHFFFAOYSA-N 432.502 1.125 0 40 IDAB COc1ccc(CNC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 36385507 VSGVAFJCJWKKAW-MRXNPFEDSA-N 435.521 1.846 0 40 IDAB CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2N2CCC3(CC2)OCCO3)cc1 36585721 RDPMIBMNKRHKNC-MSOLQXFVSA-N 429.560 1.027 0 40 IDAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)Oc2ccccc21 38831822 RHJNWALLCQKDBX-NRFANRHFSA-N 445.541 1.362 0 40 IDAB O=C(NCc1ccc(-n2cncn2)nc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 48261164 QSTONYNQBWQLLC-SFHVURJKSA-N 426.502 1.522 0 40 IDAB CC(C)Nc1nc(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ncc1C(=O)O 49469604 YRDWOZUGFGQALV-UHFFFAOYSA-N 434.518 1.801 0 40 IDAB COC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318420 SAQSRFNHSYMIPF-HXUWFJFHSA-N 438.484 1.827 0 40 IDAB COc1ccc2c(c1)CN(C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C[C@]1(CCCN(C)CC1)O2 72394500 PZHPYNQMMNJBGU-HSZRJFAPSA-N 442.516 1.198 0 40 IDAB CCn1cc(C(=O)C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cn1 89305707 FBDQBDUPOBCSRD-UHFFFAOYSA-N 428.518 1.974 0 40 IDAB COc1ccc(S(=O)(=O)CCNC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1 95473044 DDWDSKQJZPIJIG-CQSZACIVSA-N 442.497 1.515 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCSc2ncn[nH]2)cc1Cl 226067463 OXPNGWLFSZYADC-UHFFFAOYSA-N 447.970 1.776 0 40 IDAB CN(C[C@@]1(O)CCCN(c2ccc3nccn3n2)C1)C(=O)CC1(CC(=O)O)CCCC1 257206606 BEDZPYDIWYPWDM-QFIPXVFZSA-N 429.521 1.944 0 40 IDAB CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@H](O)[C@@H](N(C)C(=O)c2cncc(C)c2)C1 257253790 KAHVYJKJHRJHQO-ZPFZUWPUSA-N 425.529 1.810 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)CC2)cc1 257334747 YHFNKOXCSZDBLM-FHWLQOOXSA-N 436.534 1.480 0 40 IDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 512984550 HCUDTUPQZKWSDY-MRXNPFEDSA-N 437.504 1.052 0 40 IDAB CC(C)COc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1 575614873 BCDXPWRLISEQJS-UHFFFAOYSA-N 433.596 1.518 0 40 IDAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)CCC(N)=O)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 585262435 GAJNIMSMKDECDT-VKGYTVAMSA-N 429.492 1.589 0 40 IDAB C[C@@]1(C(=O)NCc2ccc3c(c2)C(=O)NCC3)C[C@H](O)CN1C(=O)OCc1ccccc1 1611288253 BWAPNZQOUJWQQB-CYFREDJKSA-N 437.496 1.751 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCc2nc3ncccc3cc2C1 1891921507 UXRPRPXNDLOWNO-UHFFFAOYSA-N 438.509 1.849 0 40 IDAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 9094932 WXTGRXDLGQVIKT-UHFFFAOYSA-N 433.486 1.132 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccc(Cl)cc1 9420270 VRQWTZKZHQYQGM-SJORKVTESA-N 442.907 1.658 0 40 IDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 9690824 PDKMFOFXBKIMFD-QGZVFWFLSA-N 428.474 1.372 0 40 IDAB CCN(CC)C(=O)Cn1c(=O)n(C(C)C)c2nc(-c3cccc(F)c3)nc(C(N)=O)c21 12274887 XIWNBCIKBUJSOT-UHFFFAOYSA-N 428.468 1.947 0 40 IDAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(C(=O)N2CCCCC2)CC1 12860058 NQADMWCJWMMEHT-UHFFFAOYSA-N 434.562 1.835 0 40 IDAB NC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 13031494 GQJYJKRGLYEZKW-UHFFFAOYSA-N 438.456 1.009 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC(C)(C)C)Cc2ccco2)cc1 13503020 PYERJQUODUIMBY-UHFFFAOYSA-N 437.518 1.510 0 40 IDAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cn(CC(N)=O)c4ccccc34)C2=O)cc1 13564629 HNARRPJGSRVUAR-ZDLGFXPLSA-N 431.452 1.966 0 40 IDAB COC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 13646763 POJPAOIQSJHSEP-LBPRGKRZSA-N 432.926 1.915 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(=O)[nH]c1=O 14654960 YJNGNGUHIHJYAB-INIZCTEOSA-N 427.505 1.239 0 40 IDAB COCCC(=O)N1Cc2cn(C)nc2[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 19701285 MECLJWICOGWEBN-IBGZPJMESA-N 429.496 1.370 0 40 IDAB CCNC(=O)c1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20758582 SGJMANOHDSNZJZ-GOSISDBHSA-N 436.472 1.727 0 40 IDAB biogenic CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1 22766433 VUIFUICDCZLKHT-IBGZPJMESA-N 429.546 1.750 0 40 IDAB COCCCNC(=S)N(CCN1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O 26100379 XEERJLZWZMICRJ-UHFFFAOYSA-N 432.590 1.882 0 40 IDAB COCOC(=O)[C@@H]1N2C(=O)[C@@H](N3C(=O)[C@H](c4ccc(O)cc4)NC3(C)C)[C@H]2SC1(C)C 30691211 XMNFWSAYWSUJMH-JTOWHCCKSA-N 449.529 1.179 0 40 IDAB in-man COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1F)C(=O)OC 31810557 NKLDNPWHTWWIHH-YJBOKZPZSA-N 434.424 1.319 0 40 IDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O 37210483 FEYOJZLQSVQKAN-VGOFRKELSA-N 443.504 1.018 0 40 IDAB Cc1nccn1-c1ccc(CNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 44843279 XGLDQOXXQJODLI-UHFFFAOYSA-N 442.497 1.992 0 40 IDAB Cc1sc2nc(N3CCN(CC(=O)NC[C@@H]4CCCO4)CC3)n3ncnc3c2c1C 57156123 VOGZMQPMOBUMJX-HNNXBMFYSA-N 429.550 1.373 0 40 IDAB Cc1nc(NC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)sc1C(=O)N(C)C 70638106 GHHYILXNMNJWMW-CQSZACIVSA-N 440.533 1.984 0 40 IDAB NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 72302760 CBZNQTRLAWMEQH-UHFFFAOYSA-N 449.916 1.197 0 40 IDAB CC[C@H](C)N1CCN(C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 72326806 ZYTHJAXEJAPGST-RHGYRFJNSA-N 441.576 1.882 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2 77154610 YARCVPWURXVODO-UHFFFAOYSA-N 445.526 1.342 0 40 IDAB COc1cccc(S(=O)(=O)N2CCc3nc(N4CCOCC4)nc(N(C)C)c3CC2)c1 96254928 KLWXRIQOAGXLJQ-UHFFFAOYSA-N 447.561 1.177 0 40 IDAB COc1ccccc1NC(=O)/C=c1/s/c(=C/c2ccc(-n3ccnc3)cc2)c(=O)n1C 96843762 NOLMWVXHXUMVKK-STHOXOPSSA-N 432.505 1.889 0 40 IDAB CN1C(=O)CO[C@@H](C(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)[C@@H]1c1ccccc1F 223157874 ONKLTQKHTJLPEX-VQTJNVASSA-N 449.504 1.754 0 40 IDAB CN1CCN(Cc2nc(C3(O)CCN(C(=O)COc4ccccc4)CC3)cs2)CC1 225473166 RTQFOKWMOQNMHG-UHFFFAOYSA-N 430.574 1.780 0 40 IDAB biogenic,in-vitro CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)[C@@H]2[C@@H]3C(=O)N(C)C[C@@]34C=C[C@H]2O4)CC1 248022250 JYHIGGSWYYXICH-XYHMEGALSA-N 446.507 1.444 0 40 IDAB Cc1cc(N2CCN(C(=O)CN(C3CC3)[C@@H]3CCS(=O)(=O)C3)CC2)nc(C(C)C)n1 533387593 JWCBXGHFEBRSIS-GOSISDBHSA-N 435.594 1.209 0 40 IDAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 575616979 PBMLCSJGCGGKCA-LLVKDONJSA-N 448.423 1.677 0 40 IDAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 575616982 PBMLCSJGCGGKCA-NSHDSACASA-N 448.423 1.677 0 40 IDAB COc1ncc(CN2CCO[C@]3(CO[C@H](C(=O)NCc4ncc(C)cn4)C3)C2)cc1C 585102321 ZPGUCKPFCGAFEU-AVRDEDQJSA-N 427.505 1.173 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N(C)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775970384 DVFZUYOGJDNXOX-UHFFFAOYSA-N 440.489 1.300 0 40 IDAB CCOc1ccc(S(=O)(=O)NCCC(=O)OCN2C(=O)c3ccccc3C2=O)cc1 3450391 JCAUBIRELTXCQD-UHFFFAOYSA-N 432.454 1.551 0 40 IDAB O=C(CSc1nnc2ccccn12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3486568 VQODOCJEYQFDIX-UHFFFAOYSA-N 433.515 1.481 0 40 IDAB CCOC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@H]1N[C@H](C(=O)O)CS1 4768999 XLRLBFNBLXQLPR-HQRMLTQVSA-N 428.510 1.982 0 40 IDAB CCN(CC)C(=O)CSc1nc(-c2ccccc2C)nc2c1c(=O)n(C)c(=O)n2C 9517493 KVQGZVGMBFFPKX-UHFFFAOYSA-N 427.530 1.963 0 40 IDAB COc1c(F)c(F)cc2c(=O)c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cn(C3CC3)c12 9575313 MGCUKXPDRONPHN-NSHDSACASA-N 426.441 1.882 0 40 IDAB COc1cc(C2=NC3=NC(C)=C(C(N)=O)[C@@H](c4ccc(O)cc4)N3N2)cc(OC)c1OC 9637907 DEHDLCKGAJBHFG-GOSISDBHSA-N 437.456 1.855 0 40 IDAB O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 10705000 BZXZNEOSFXFBPI-SFHVURJKSA-N 445.516 1.683 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCC(O)CC3)CC1)CC2=O 12086398 MVEUIDOLOZZJGQ-CMJOXMDJSA-N 430.501 1.784 0 40 IDAB CC(=O)c1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1-c1ccccc1 12573051 UUMFORGCYKITDJ-UHFFFAOYSA-N 438.469 1.399 0 40 IDAB O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCC2)N(C2CC2)C(=O)[C@H]13 12642379 PEQRRQDTRSBGEN-LMHDGWJKSA-N 435.524 1.675 0 40 IDAB Cc1ccsc1C(=O)OCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12913365 ZQDDFNWZFAFOTN-UHFFFAOYSA-N 428.470 1.357 0 40 IDAB CCCn1c(=O)n(C[C@@H](O)COc2ccc(Cl)cc2)c2cc(S(N)(=O)=O)ccc21 13022287 MVJFKVKREPMKKX-CQSZACIVSA-N 439.921 1.954 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 13097701 VVDUPHZDPZGRBC-FQEVSTJZSA-N 448.570 1.869 0 40 IDAB Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 16010028 NWPDCQTUHRNAIP-PPSDVSMJSA-N 444.919 1.577 0 40 IDAB CC(=O)NCc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)o1 16050707 KFZKBVPIVPQJAV-LJQANCHMSA-N 426.425 1.962 0 40 IDAB CCS(=O)(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19700726 GKUPYTPUUVVAQN-UHFFFAOYSA-N 448.589 1.635 0 40 IDAB CC(C)n1ncc2c(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc(C3CC3)nc21 35307998 AFNCRNYCSKDYDS-UHFFFAOYSA-N 440.548 1.506 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)C[C@@H](C)O1 40072444 DONFSMQVLUPKAD-XHSDSOJGSA-N 428.530 1.124 0 40 IDAB CCS(=O)(=O)c1ncc(NCCCC(=O)OC)c(C(=O)Oc2ccc(OC)cc2)n1 46086454 NNNNHCCWQRXXDI-UHFFFAOYSA-N 437.474 1.863 0 40 IDAB CN(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 57773636 ACRIGBFMNDEZDD-VXKWHMMOSA-N 438.572 1.627 0 40 IDAB CC(C)N(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)Cc1cnn(C)c1 58018064 BOEMVVQWUGVYOL-UHFFFAOYSA-N 433.578 1.305 0 40 IDAB O=C(Nc1ccc(F)cc1Br)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 59304924 CKGXFBKFTCIBDN-SNVBAGLBSA-N 432.271 1.692 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)C1 72325963 PVJBBSSEYOFUED-WAIKUNEKSA-N 442.516 1.352 0 40 IDAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2S(C)(=O)=O 225668454 FKPRAVPHZRZDNB-ZXFUBFMLSA-N 431.514 1.531 0 40 IDAB C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@H](c5ccco5)[C@H]34)[C@H]2C1=O 245227625 KZQAKQMIKBMOJN-YTRQSVPYSA-N 446.506 1.976 0 40 IDAB Cn1nc(C(=O)N2CCC[C@@](C)(C(=O)NCCc3nc4cc(F)ccc4[nH]3)C2)ccc1=O 257262989 LNWRIZFJUOCILB-JOCHJYFZSA-N 440.479 1.397 0 40 IDAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@]3(CC2)Cc2c(O)nc(O)nc2O3)c1 257292962 QNPGDIUQAZCYNQ-LJQANCHMSA-N 434.474 1.259 0 40 IDAB CN(C)C(=O)CN1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(C(=O)c1ccccc1)CC3 306127328 FVVUAEQPTWVPRL-UHFFFAOYSA-N 449.555 1.168 0 40 IDAB CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1OC 575426429 SVKWYALZQVDVTC-MRXNPFEDSA-N 448.607 1.614 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1 3431460 OBOFHVBPBPBPLA-LBPRGKRZSA-N 437.449 1.633 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1OC 8707213 DBWOAKIRRPQFJG-OAQYLSRUSA-N 426.429 1.208 0 40 IDAB COc1ccc(-c2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n[nH]2)cc1OC 8918885 GLELQHNCLNYVJO-UHFFFAOYSA-N 431.474 1.992 0 40 IDAB Nn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1C1CC1 9119641 VLWOMOXQSBCQED-UHFFFAOYSA-N 436.563 1.775 0 40 IDAB C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OCO2 9415824 SIDCRQDCCKZEOJ-VXGBXAGGSA-N 438.531 1.640 0 40 IDAB COCCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 9747512 QQNXXKNXRBCYRS-OAHLLOKOSA-N 431.942 1.152 0 40 IDAB COc1ccc(-c2nnc3n(Cc4ccc(F)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10969048 WEBBNFAQQBAQQU-UHFFFAOYSA-N 434.431 1.944 0 40 IDAB COc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 12445077 FRJMIZLSQBJHDI-UHFFFAOYSA-N 447.557 1.651 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc4c(c3)OCCO4)CC2)cc1 12897455 CNMMMJULQGQTRE-UHFFFAOYSA-N 431.514 1.982 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 12938916 OBNBHYQEYRONSE-CRSSMBPESA-N 438.429 1.457 0 40 IDAB COc1ccccc1CN(C)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13135096 KEIAQWSQHUASTA-UHFFFAOYSA-N 437.500 1.271 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13572932 PYQOJUKCUHSMAI-CROMWVBPSA-N 439.443 1.141 0 40 IDAB CC(C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)O 15955440 ZDQSLVLXTKKGPN-HXUWFJFHSA-N 426.425 1.667 0 40 IDAB biogenic Cc1ccc(C)c(N2N=C(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CCC2=O)c1 16867125 MAONZTHVXRMBKO-JKSUJKDBSA-N 449.529 1.363 0 40 IDAB CN1CCN(C(=O)[C@H]2CCC(=O)NC(=O)N2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589408 WNBQFMDMDXOFIT-NHCUHLMSSA-N 448.523 1.801 0 40 IDAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 20032064 TUVHEJMUIKWZAQ-QGZVFWFLSA-N 443.591 1.149 0 40 IDAB Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCN1c1cccc(Cl)c1 20533218 RYPABJDXJVEWSI-UHFFFAOYSA-N 430.896 1.034 0 40 IDAB Cc1cc(NC(=O)COc2coc(CN3CCN(C(=O)c4ccco4)CC3)cc2=O)no1 22852818 PZWKUGLREIIQAL-UHFFFAOYSA-N 442.428 1.505 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc(-c4ccco4)no3)CC2)cc1 22990405 FHPWLWCZUSUZLK-UHFFFAOYSA-N 446.485 1.804 0 40 IDAB CCCCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1c(N)n(CCC)c(=O)[nH]c1=O 23124235 JQPBWXJXTCUKQH-CQSZACIVSA-N 445.495 1.854 0 40 IDAB C[C@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 24756757 PGOSKEWYBNVETC-WFASDCNBSA-N 444.351 1.054 0 40 IDAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(N3CCOCC3)nc2)cc1 29028510 YCQKAJMGUOOXNL-UHFFFAOYSA-N 432.546 1.676 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)cc1 72303413 AXUDABBAJLMIRP-OAHLLOKOSA-N 440.547 1.526 0 40 IDAB CCc1c(C)nc(NC2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)[nH]c1=O 72342170 OXVIPXPNPPDQML-UHFFFAOYSA-N 427.505 1.927 0 40 IDAB COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)C(C)C)cc1 95402689 CSDZVDZRMVRDJE-KXBFYZLASA-N 427.505 1.678 0 40 IDAB COc1cccc(CC(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(Cc2ccncc2)S4(=O)=O)O3)c1 96145988 CXEFPSPUDOLUEM-URVUXULASA-N 443.525 1.217 0 40 IDAB COCCn1c(C(=O)N[C@H]2CCN(c3nccs3)C2)cc2c(=O)n3ccccc3nc21 206812306 HJRMZFPEUWIHRX-AWEZNQCLSA-N 438.513 1.761 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1 225601689 QDCWODSCAOKVCG-UHFFFAOYSA-N 445.545 1.068 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1)c1ccccc1 408590061 GUNBIFAPAFNSSO-SFHVURJKSA-N 447.557 1.553 0 40 IDAB CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 409196659 QWSQOPXVZPLUEQ-UHFFFAOYSA-N 427.523 1.443 0 40 IDAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c([C@H]2COc3ccccc3O2)n1 524732495 JJYZPEASNOWSFB-XJKSGUPXSA-N 434.412 1.397 0 40 IDAB Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CCN(c4ccc5nncn5n4)C3)cc2)co1 575414470 PWRYPGCVKFWSMY-OAHLLOKOSA-N 425.474 1.645 0 40 IDAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 575423122 OFRYEYYAWCKBIS-ROUUACIJSA-N 444.575 1.924 0 40 IDAB Cc1nc(CCNC(=O)[C@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC23CCOCC3)no1 585102001 VJXHXPQQUHSYGG-CYBMUJFWSA-N 442.442 1.707 0 40 IDAB Cc1cnc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(Cc2c(C)nc4ccccn24)CCO3)nc1 585102218 QHLFDHSBMKOGID-WMZHIEFXSA-N 436.516 1.417 0 40 IDAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC(Oc2cc(C)nc3ncnn23)C1 618256920 ZCTHBCNBOFIXEW-UHFFFAOYSA-N 432.440 1.496 0 40 IDAB CCCCN1CCOc2ccccc2C(=O)N[C@@H](C(=O)O)CC(=O)N2CCC[C@@H]2C1=O 643580205 QXDJRAPQKNSYRK-IAGOWNOFSA-N 431.489 1.272 0 40 IDAB C[C@@H]1CCO[C@@H]1C(=O)N1CC2(CC=CCOc3ccccc3C(=O)NCCN(C)C2=O)C1 1616053135 ZBMLNRKDABFSNZ-XLIONFOSSA-N 441.528 1.467 0 40 IDAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCc4ccccc4C3)CC2)o1 1676465619 XHVKZFNFBLGIFT-KRWDZBQOSA-N 446.529 1.342 0 40 IDAB Cc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)Cc5ccccc5Cl)C[C@H]4C3)nn12 1888916427 PORZJFOKVMAHKU-IYBDPMFKSA-N 432.937 1.984 0 40 IDAB CC(C)C[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(C)C 8790554 IBQRMVOFKXPEIX-GQAKTHPZSA-N 433.574 1.920 0 40 IDAB biogenic O=C(CN1C(=O)COc2ccccc21)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 9223230 MUEAAJWPQQMFTP-MRXNPFEDSA-N 448.479 1.856 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1c(=O)oc2ccccc21 9468144 BIMNPNULOCGCMJ-UHFFFAOYSA-N 447.469 1.263 0 40 IDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 9512392 BAIDCPWXWOTPHU-HXUWFJFHSA-N 434.518 1.520 0 40 IDAB CCn1c(SCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1C1CC1 9721739 QAMPENPCBXVVML-UHFFFAOYSA-N 449.602 1.942 0 40 IDAB CC[C@@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)O 9723108 QCAGHEZWUZTRPN-FZKQIMNGSA-N 442.534 1.720 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(C)c(F)c2)[C@@H](C)O)cc1 9724082 UGQDLTBVYMXFRK-KUHUBIRLSA-N 438.477 1.652 0 40 IDAB O=C(NCC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)c1ccco1 9799252 NWBWTPCNJVBPLJ-UHFFFAOYSA-N 441.875 1.558 0 40 IDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 10755456 XIEJGDRMSRFXRB-RTBURBONSA-N 442.516 1.997 0 40 IDAB O=C(NCc1ccccc1F)c1nc(Cn2cc(I)cn2)no1 12375523 BWMIYYRCNQQZSU-UHFFFAOYSA-N 427.177 1.988 0 40 IDAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC2(C(=O)OC)CCCCCC2)c1 12772011 QEYNGLKBWXCSHE-UHFFFAOYSA-N 427.475 1.804 0 40 IDAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 12804125 HDZVPERNHQPUSW-GFCCVEGCSA-N 444.469 1.357 0 40 IDAB O=C([C@@H]1CN(C(=O)c2cc(N3CCOCC3)ccn2)c2ccccc2O1)N1CCOCC1 12891921 XKPUXQFMBBUIIY-NRFANRHFSA-N 438.484 1.185 0 40 IDAB C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)NC1CC1 12912381 WJKBVVBSBCKWGF-ZDUSSCGKSA-N 438.502 1.069 0 40 IDAB CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)c3cccs3)CC2)NC(=O)N[C@H]1C 13112313 YFDIDHFBDMXGSL-LBPRGKRZSA-N 435.502 1.662 0 40 IDAB CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)ccc12 16042595 PBAIRUYFAXCEPT-OAHLLOKOSA-N 433.461 1.451 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)N3CCOCC3)c3ccccc3)CC2)s1 16926403 SMAIJCABRHKGQF-HXUWFJFHSA-N 449.598 1.963 0 40 IDAB COc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1S(=O)(=O)NC1CC1 17594868 DJGKUDGKDPUIAO-UHFFFAOYSA-N 435.483 1.562 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CCOCC1)OCO3 19372824 VMYHOWXDCKXALZ-NRFANRHFSA-N 446.467 1.713 0 40 IDAB CN1CCN(CC(=O)N2CCc3c([nH]c4ccccc34)[C@]23C(=O)Nc2ccccc23)CC1 20636512 KNXNFZNQVLNUGG-RUZDIDTESA-N 429.524 1.996 0 40 IDAB biogenic C[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1=O 23717399 SOWIAVRBKUIHBD-NRFANRHFSA-N 432.546 1.160 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(CN3C(=O)CC4(CCCCC4)C3=O)CC2)cc1 23717785 QCTXTIPXOMPVRD-UHFFFAOYSA-N 447.557 1.862 0 40 IDAB O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1C1CC1 24527646 IUHKIXSJMPHWJU-HNNXBMFYSA-N 432.329 1.590 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 25802089 OVFCBCQOBIXZRU-YJBOKZPZSA-N 445.607 1.708 0 40 IDAB COc1ccc(-c2n[nH]c(SCC(=O)N3C[C@H](C(N)=O)Oc4ccccc43)n2)cc1 29412778 WXYUMMMQJMJXIL-MRXNPFEDSA-N 425.470 1.852 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)c(C)c1 31210377 WNZXKNAQVXAFST-UHFFFAOYSA-N 432.546 1.388 0 40 IDAB CCn1c(CCC(=O)Nc2nnc3ccccn23)nc2cc(S(=O)(=O)N(C)C)ccc21 31739604 FBHJUVZMDFWPIK-UHFFFAOYSA-N 441.517 1.921 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NCCc3cccs3)CC2)cc1 35306208 ILVABWJOEBDAEE-MRXNPFEDSA-N 437.587 1.810 0 40 IDAB C[C@@]1(c2cccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)c2)NC(=O)NC1=O 40111097 WZWOCSDWRIPQES-FQEVSTJZSA-N 428.470 1.316 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O)NCc1ccc2c(c1)OCO2 49410484 DDVSOUMCIDFCJI-UHFFFAOYSA-N 433.486 1.068 0 40 IDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1 57730166 JGZQXTFPOJEZOK-AWEZNQCLSA-N 431.522 1.207 0 40 IDAB Cn1c(SCC(=O)N2CCC(C(N)=O)CC2)nnc1-c1sc2ncccc2c1N 64370053 UBPYSFOBWATHAL-UHFFFAOYSA-N 431.547 1.490 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)O)C[C@H](O)Cn2cc(C=O)c3ccccc32)cc1 95117383 PCTQRQBATFNDHZ-QGZVFWFLSA-N 430.482 1.899 0 40 IDAB O=C(NCCN1CCOCC1)[C@H]1C[C@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 96144493 SJUCXFVEAOAIRX-RCZVLFRGSA-N 435.524 1.822 0 40 IDAB Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccncc5)CC4)c3CO2)cc1 97943643 SBYVVPKONHWWDX-FQEVSTJZSA-N 432.484 1.851 0 40 IDAB C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 105347902 JDIRXVFLIVGBPN-NHRZQYMUSA-N 443.862 1.781 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1 220210129 SCWNHKCEDPIDLC-CQSZACIVSA-N 443.522 1.159 0 40 IDAB CCc1ccccc1N(CC(=O)Nc1nnc(SCC(=O)OC)s1)S(C)(=O)=O 225753686 SCLMQIBGBHSZBR-UHFFFAOYSA-N 444.560 1.770 0 40 IDAB CCn1ccc(C(=O)N2CCN(C)[C@H](C(=O)NCCc3c(C)n(C)c4ccccc34)C2)n1 257250312 JMADNKSGVHMIQW-QFIPXVFZSA-N 436.560 1.818 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390830175 JGMLTGIGDLJYLO-UHFFFAOYSA-N 430.486 1.840 0 40 IDAB COc1ccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408594283 PNRSIAPAVFJXLR-UHFFFAOYSA-N 447.557 1.982 0 40 IDAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cc(C)on4)cc3)C(=O)[C@@H]21 408668612 VFNVWHMOJABZKL-SOHDHNSJSA-N 435.436 2.480 0 40 IDAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C1=O 409214670 ZOKFWFZPSHSTEL-ZSOIEALJSA-N 442.877 1.992 0 40 IDAB O[C@H]1CN(Cc2ccc(F)c(F)c2)CCCCc2ccccc2OC[C@@H](O)[C@@H](O)[C@@H]1O 643583897 FEQMZEPKNVYMCT-KKSHJYNMSA-N 437.483 1.626 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC2CCCCC2)ccc1F 3027821 ZBDGMDPJAVOYTO-SFHVURJKSA-N 441.525 1.436 0 40 IDAB CC(C)C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCC[C@H]1C(N)=O 4375669 NQZYVZPEQQKCLY-HRCADAONSA-N 426.558 1.543 0 40 IDAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1ccccn1 9060820 MRABKXRCCROMEB-DLBZAZTESA-N 430.530 1.303 0 40 IDAB COc1ccc(CCn2c(C)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1OC 9123957 BPNUUFQUPJGGNB-UHFFFAOYSA-N 441.488 1.100 0 40 IDAB O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O)Nc1ccc2c(c1)OCO2 9660773 PXETVQYWURKBQF-UHFFFAOYSA-N 436.468 1.940 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1ccc(F)cc1 11906113 RPCCCCDJCLHWCL-UHFFFAOYSA-N 442.490 1.422 0 40 IDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)n1 12142962 GBPAELYWOCFXHZ-UHFFFAOYSA-N 434.500 1.649 0 40 IDAB CCOc1ccc(N2C[C@@H](NC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1 12180192 FUOOECDKZPRRBL-INIZCTEOSA-N 426.473 1.951 0 40 IDAB CC[C@]1(C)NC(=O)N(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O 12516958 FEYOJZLQSVQKAN-JTSKRJEESA-N 443.504 1.018 0 40 IDAB COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cn3ccccc3n2)c1 12669558 JBJOPOZDBLMGBG-UHFFFAOYSA-N 436.921 1.885 0 40 IDAB CC(C)c1ccc(NC(=O)[C@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12793182 RIEOPNZANRDRLD-YOEHRIQHSA-N 449.529 1.846 0 40 IDAB O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)NC(=O)NC1CCCCC1 12915677 IDFBAPNMKDEZPT-IBGZPJMESA-N 430.505 1.129 0 40 IDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 14692314 KXDILMDGZNTMPF-UHFFFAOYSA-N 430.461 1.069 0 40 IDAB C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16033979 BBRJAESPJYCZMT-ARGWBDOXSA-N 427.407 1.266 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)Nc2ccccc2)CC3)cc1 17050819 PQOBDWCHHTZTCJ-UHFFFAOYSA-N 443.525 1.973 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CCOCC1)OCCO3 19292494 HMEGBNPJJXBZFW-FQEVSTJZSA-N 438.488 1.823 0 40 IDAB O=C(c1cnccn1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699552 WBBSXGXCRFJRMQ-IBGZPJMESA-N 448.527 1.668 0 40 IDAB Cc1nc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)ncc1C(=O)NCc1ccccc1 19763461 JRPUFFUENMJCNR-HXUWFJFHSA-N 437.544 1.753 0 40 IDAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccccc2)CC1 20717635 WMXNAEYGTNHXSK-SFHVURJKSA-N 436.468 1.575 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccno4)o3)cc2)C[C@@H](C)O1 22710804 NBIVDPRODICLDD-TXEJJXNPSA-N 433.446 1.775 0 40 IDAB Cc1csc(=O)n1CCCC(=O)OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 26585809 FGKUBISXYYXFNL-UHFFFAOYSA-N 438.506 1.074 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(SCC(=O)NCCc3cccs3)nc2)CC1 35306313 PSAQUNFBSUTYIU-UHFFFAOYSA-N 440.616 1.530 0 40 IDAB O=C(CN1CCN(c2ccccc2O)CC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 57315383 FKNUPJDIYLXVHF-QGZVFWFLSA-N 449.598 1.792 0 40 IDAB COc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCOCC3)c2=O)cc1Cl 67245862 VPHDUWWFNOCPLH-UHFFFAOYSA-N 441.893 1.170 0 40 IDAB CC(=O)Nc1ccc(OC[C@H](O)CN(CCO)S(=O)(=O)c2ccc(Cl)cc2)cc1 95117088 LVYZUEOTNJNJAO-QGZVFWFLSA-N 442.921 1.721 0 40 IDAB COC(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)cc1 95995709 WAJFCEADSKKSSL-UHFFFAOYSA-N 448.469 1.915 0 40 IDAB CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(C(=O)c1cccc(OC)c1)CC2 96143660 GVLJVSZIOIVPGR-RBUKOAKNSA-N 428.533 1.762 0 40 IDAB CC(C)(CNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)CNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 102305997 BWDKSEMRRGORJK-UICUUTGISA-N 434.533 1.739 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222793218 PPXNUYKKFBLDCD-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccc(C)cc1N2 248339229 SJWMRANMENYLPN-RHGYRFJNSA-N 441.576 1.848 0 40 IDAB CN1CCC(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)CC1 257328998 XHYMWOCTNPWVGL-GNKBHMEESA-N 442.648 1.933 0 40 IDAB CC(=O)N(C)[C@H]1CC2(CCN(C(=O)COc3cccc4cccnc34)CC2)OC[C@]1(C)O 257335247 YJHXAFNDWLWGAI-REWPJTCUSA-N 441.528 1.993 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)C1 260408698 JQPXZGLOUJUWDQ-HZPDHXFCSA-N 438.550 1.052 0 40 IDAB CC(C)CN1C(=O)C2(CCN(C(=O)[C@@H](N)CCC(=O)O)CC2)C[C@@H](O)[C@@H]1c1ccccc1 585285447 JWMSPTCTJWGSSQ-ZVDOUQERSA-N 445.560 1.778 0 40 IDAB CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)NCCCCOC[C@@H](O)[C@H]1O 643913273 OKOHIHIBYXZVRN-BRKWEVRTSA-N 440.556 1.819 0 40 IDAB CC(=O)N1CCCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c2ccccc21 673714007 IISODRRXHGGRRX-OAHLLOKOSA-N 442.541 1.875 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 8650484 CIABTCCPTUMUTO-UHFFFAOYSA-N 433.486 1.185 0 40 IDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 8897925 QXDSXKHNPZKJNE-LFVRLGFBSA-N 434.452 1.980 0 40 IDAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)C[C@@H](C)O1 9256863 IIQNAOVFOSBSRB-IAGOWNOFSA-N 445.545 1.237 0 40 IDAB CC(=O)N1CCCN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccc(F)cc3)C2)CC1 12182772 OFBLZUCDYGXMAB-RBUKOAKNSA-N 431.537 1.941 0 40 IDAB NS(=O)(=O)c1cccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1 12745652 BGMYRVAKBLMERK-LJQANCHMSA-N 449.554 1.072 0 40 IDAB COc1ccc([C@@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)N2CCOCC2)cc1 12904610 IXPSZAXBUQXQSB-GOSISDBHSA-N 430.505 1.049 0 40 IDAB Cc1cc(NC(=O)[C@H](OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c2ccccc2)no1 12909733 QFNCEENAMWEDRK-GOSISDBHSA-N 442.453 1.704 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(Cn3nc(C)c4ccccc4c3=O)CC2)cc1 12924902 YKPPRWAUDJMCLN-UHFFFAOYSA-N 428.514 1.678 0 40 IDAB COc1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1S(=O)(=O)N1CCOCC1 12976762 KNWWBIVUYLXLOE-MRXNPFEDSA-N 432.498 1.906 0 40 IDAB O=C(Cn1c(=O)n2nc(-c3ccncc3)nc2c2c3c(sc21)CCC3)N1CCOCC1 13728837 GJKHKNSPJOTNCQ-UHFFFAOYSA-N 436.497 1.515 0 40 IDAB O=C(O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16021991 RTTDALGSQFWQQJ-GHCZAOPSSA-N 433.464 1.515 0 40 IDAB CNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 17051067 UXRHSOIJYGYNAC-UHFFFAOYSA-N 437.543 1.050 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)C[C@@H](C)O1 17247250 ZXQIEBHFFJMYIP-BETUJISGSA-N 443.481 1.620 0 40 IDAB COc1ccccc1N(C[C@@H](O)CN1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1 19362638 ASQQCDWLPORCLY-IBGZPJMESA-N 433.574 1.807 0 40 IDAB COCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc(=O)[nH]2)CC1 19592752 XMVNKFOSBNQZRM-QGZVFWFLSA-N 439.516 1.537 0 40 IDAB O=C(CN1CCOCC1)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19701945 RLZANXYNNPCKEM-MRXNPFEDSA-N 444.557 1.417 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NNS(=O)(=O)c2cccc3nsnc23)nc1 21363637 FVZRURYZKYSKRY-UHFFFAOYSA-N 442.548 1.422 0 40 IDAB Nc1nc2c(nc(Nc3ccc(-c4ccccc4)cc3)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 22055822 JPQHAFBEGLGQRF-GVDBMIGSSA-N 434.456 1.753 0 40 IDAB in-vitro CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1 23136804 QUSLEXSEAHZBTE-UHFFFAOYSA-N 447.513 1.663 0 40 IDAB CC(=O)[C@@H](C)n1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C 56923739 IFIRKNANIDEHOG-CQSZACIVSA-N 442.495 1.045 0 40 IDAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(-n2nnc(C(=O)NC3CC3)n2)cc1 71001136 PNTJTNCNOAAQGN-UHFFFAOYSA-N 440.485 1.357 0 40 IDAB CON(C)S(=O)(=O)c1cc(NC(=O)c2cnc3sccn3c2=O)ccc1Cl 72305117 CXZADQCEKCBDOP-UHFFFAOYSA-N 428.879 1.844 0 40 IDAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)Cn4ccnc4)CC3)n2)CC1 72335965 NLHONGVYSGSERJ-UHFFFAOYSA-N 446.577 1.719 0 40 IDAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 101503771 DTLWWGXQJYGKEB-LZWOXQAQSA-N 448.994 1.728 0 40 IDAB Cc1cccc(N2C(=O)[C@@H]3[C@H](C(=O)NC4CC4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCC2)c1 245230577 URIUFZZOHPBRSB-LMHDGWJKSA-N 435.524 1.987 0 40 IDAB CC(C)NC(=O)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cnccn1)C2 585107565 ZZCRZWBGTXOMPL-HSZRJFAPSA-N 431.500 1.748 0 40 IDAB CC(=O)N1CCC(CC(=O)NCCNc2ncccn2)(N2Cc3ccccc3C2=O)CC1 1565524706 TYETYHUKHZKQHQ-UHFFFAOYSA-N 436.516 1.432 0 40 IDAB Cc1ncnc(C(=O)NC[C@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)c1C 1565556765 ULSXPYQFXJSHHY-QGZVFWFLSA-N 434.500 1.628 0 40 IDAB CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)CC1 1330358 PTEKSVXYDBRNDP-UHFFFAOYSA-N 444.575 1.635 0 40 IDAB COc1cc(Br)c(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1OC 8767286 YOLQAIPWLOVBDF-UHFFFAOYSA-N 447.307 1.996 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)Nc3ccccn3)C2)cc1 8992266 YVHXCLKNFATICF-HNNXBMFYSA-N 432.502 1.246 0 40 IDAB CSCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NC(C)C 9184336 CWXDBPZHXNPUCW-AEFFLSMTSA-N 441.619 1.850 0 40 IDAB CCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2ccccc2C(F)(F)F)c(=O)[nH]c1=O 9506746 UETIGNFBHOLLHK-UHFFFAOYSA-N 441.410 1.301 0 40 IDAB Cn1c(N)c(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(=O)n(C)c1=O 9821652 ZMXJGRSNSSVZGO-UHFFFAOYSA-N 432.531 1.220 0 40 IDAB O=C(NCc1cccnc1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 10219888 KWQALOAZVGLJBS-UHFFFAOYSA-N 445.888 1.604 0 40 IDAB C[C@@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12813686 QUHNOSBCKUUOQN-IUODEOHRSA-N 430.910 1.037 0 40 IDAB C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)NC1CC1 12912376 WJKBVVBSBCKWGF-CYBMUJFWSA-N 438.502 1.069 0 40 IDAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(=O)OC)cc2)c1=O 13533251 WXDDPZNWOBNCJI-UHFFFAOYSA-N 431.470 1.687 0 40 IDAB COc1ccccc1/C=C1\SC(=O)N(CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1=O 13574451 AYQWDWWUXMGRNN-HNDQUVLASA-N 438.527 1.767 0 40 IDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)C1=O 14200069 BBDMDQBVDQYWGW-IBGZPJMESA-N 434.474 1.417 0 40 IDAB O=C(CCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc2c(c1)OCCCO2 14231156 NNAPRGWPTNJHCT-KRWDZBQOSA-N 436.530 1.142 0 40 IDAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 14244815 REHMFTYTJJKYSF-CQSZACIVSA-N 428.466 1.408 0 40 IDAB Cc1nn2c(nc(N3CCN(C(=O)CN4CCOCC4)CC3)c3ccccc32)c1Cl 14325358 QYNDEKKKBFWUEM-UHFFFAOYSA-N 428.924 1.825 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCN(S(=O)(=O)c3ccc(C)c(C)c3)C1)C2=O 19700799 FAQINVVHCDECTP-SFHVURJKSA-N 448.589 1.863 0 40 IDAB Cn1cc2c(n1)[C@H](C(=O)NCc1ccccn1)CN(S(=O)(=O)c1ccc(F)cc1)C2 19701408 ZVDXKIJFHSGOKQ-GOSISDBHSA-N 429.477 1.559 0 40 IDAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(CC(=O)N(C)C)C3)nc2C)c1 19753120 HLZQEVCHCMHDMU-SFHVURJKSA-N 425.533 1.991 0 40 IDAB COCCNC(=S)N(CCN1CCOCC1)Cc1cc2ccc(OC)cc2[nH]c1=O 19824667 IHYKPVJZRSUKKE-UHFFFAOYSA-N 434.562 1.192 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ncnc4cc5c(cc34)OCCO5)CC2)cc1 28556205 JQMACDBHZKNSOQ-UHFFFAOYSA-N 442.497 1.921 0 40 IDAB COc1cccc([C@@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c2nccn2C)c1 29975706 APMIYYUGUQYLIZ-WOJBJXKFSA-N 432.484 1.755 0 40 IDAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(OC)cc2OC)c1=O 32682438 CPIWULOYWRKHCL-UHFFFAOYSA-N 445.520 1.648 0 40 IDAB C[C@@H](C(=O)Nc1ncccn1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 32891606 MENWCZZEMAMVAZ-INIZCTEOSA-N 425.514 1.963 0 40 IDAB CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 32894205 ATBUADZDHVOAFL-HXUWFJFHSA-N 427.526 1.784 0 40 IDAB O=C(CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)N1CCN(c2ncccn2)CC1 32909370 ITIIYWBGCKLKIR-NRFANRHFSA-N 434.544 1.175 0 40 IDAB O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NCc1ccc2c(c1)OCO2 34872287 UGEZJTMEOJWCDN-MDWZMJQESA-N 443.525 1.650 0 40 IDAB O=C(CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1ccccn1 40154461 ABDPZWLVJRKYRX-UHFFFAOYSA-N 430.530 1.768 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC(=O)Nc3ccccc3C(N)=O)C2)cc1 58325043 XVZAETNESSDUQQ-KRWDZBQOSA-N 444.557 1.723 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204929 NLURWLDRBAJYOP-SFHVURJKSA-N 426.452 1.219 0 40 IDAB C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 79023653 PKTZNNDMWJADOI-SFHVURJKSA-N 449.555 1.580 0 40 IDAB CC(C)NC(=O)N1CCC2(CC1)O[C@H](C(=O)NCCc1ccccn1)Cn1ccnc12 96263235 VMHPYGGSWVTPLZ-SFHVURJKSA-N 426.521 1.445 0 40 IDAB CC(C)(C)c1ccc(OCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 577783227 IOKBONWUVPBGDG-QTQZEZTPSA-N 443.504 1.226 0 40 IDAB O=C(NC1CC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1 1328946 PCADTDHEXZUWOL-UHFFFAOYSA-N 427.954 1.856 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CN1Cc1ccco1 3333866 BQDPBZLHKOEKSS-XOVNIXPASA-N 443.525 1.773 0 40 IDAB O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)N=c1[nH]c2ccccc2[nH]1 8992946 UYRARWBGWHXDAG-UHFFFAOYSA-N 441.513 1.140 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Cn3cnc4sccc4c3=O)CC2)cc1 9783027 SUXDBMLNBGALEJ-UHFFFAOYSA-N 446.554 1.690 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc21 12993968 FZOMPKVSHFNICI-UHFFFAOYSA-N 446.504 1.495 0 40 IDAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nn(C)cc32)c1 13359413 FUFKAGULFLPBKD-UHFFFAOYSA-N 449.442 1.925 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)s1 14241620 MURHJUCCDXYAJJ-UHFFFAOYSA-N 428.557 1.607 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1 15324069 BTDAMWQZWVVPOT-LDADJPATSA-N 427.526 1.951 0 40 IDAB C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 16013447 JDIRXVFLIVGBPN-CFXBOMGRSA-N 443.862 1.781 0 40 IDAB C[C@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc2c(c1)OCO2 17123268 ZNVUNDZVHUEIBW-ZDUSSCGKSA-N 431.445 1.930 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1csc(S(N)(=O)=O)c1)CC2 18388860 NMZXKTQPMWCTRI-UHFFFAOYSA-N 440.499 1.154 0 40 IDAB Cc1c(C(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ccccc34)C2)cnn1C 19697689 RSGAUSCBHVPHIL-INIZCTEOSA-N 428.514 1.879 0 40 IDAB Cc1nc(C2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)CC2)nc2c1CCCN2C 19705724 SQPMLBWSFVXPPD-UHFFFAOYSA-N 449.577 1.216 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N2CCN(C)CC2)cc1 22778513 YVURBCGLJKFUMG-OAQYLSRUSA-N 426.517 1.747 0 40 IDAB O=C1CN(C(=O)c2cccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)c2)CCN1 23418573 ZAMFGZQORNYJJI-UHFFFAOYSA-N 441.553 1.902 0 40 IDAB COc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 31772966 JAHRJFBXQITWCS-HNNXBMFYSA-N 445.540 1.457 0 40 IDAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1ccc2oc(=O)ccc2c1 32106164 MJBXQNOFBUMUNY-KRWDZBQOSA-N 441.465 1.311 0 40 IDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2nccs2)CC1 36390280 HPJWSLOGZBVTQC-SFHVURJKSA-N 427.530 1.647 0 40 IDAB O=C(NCc1ccnc(OCc2ccccc2)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 48260598 NDLXCQQZKVLTNW-OALUTQOASA-N 443.525 1.312 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 57414670 CMMRQLPSELWZCW-NRFANRHFSA-N 437.500 1.693 0 40 IDAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1 57544388 YTYCDCBTTDXPNH-RTBURBONSA-N 436.622 1.721 0 40 IDAB O=C(CN1CCSC1=O)NC[C@@H](Cc1ccccc1)NC(=O)CN1CCSC1=O 58004590 DVZCMVFFWJVNMR-OAHLLOKOSA-N 436.559 1.168 0 40 IDAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 65590304 YSVONJXWRUZMKI-IDTFUJSHSA-N 431.558 1.360 0 40 IDAB O=C1NC(=O)[C@@]2(CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)C2)N1 72290899 WBFPLCBVKNLGCL-MBSDFSHPSA-N 436.468 1.335 0 40 IDAB C[C@H](C(=O)NCCc1ccccc1F)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326365 PPHVNMZMDSFLHS-CMJOXMDJSA-N 439.491 1.832 0 40 IDAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1O2 72327804 MCRDORIAGVSXFF-TVTNDZMWSA-N 449.573 1.126 0 40 IDAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCSC[C@H]2S(C)(=O)=O)C1 79093185 JYLUCTRBZZCZHR-JKSUJKDBSA-N 425.532 1.131 0 40 IDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 84466177 LZBMBVHWTTYJOZ-QZTJIDSGSA-N 433.530 1.085 0 40 IDAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](CCSC)NC(N)=O)CC1 89396264 VNIPERSPTHLMEW-HZPDHXFCSA-N 442.969 1.488 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCN2CCN(C(=O)Cc3ccncc3)CC2)cc1 95469404 XVXNSTYFCJXDQB-UHFFFAOYSA-N 432.546 1.098 0 40 IDAB COC(=O)C1(CNC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CCOCC1 96006473 CAYWUYZHSJUOQY-JTQLQIEISA-N 433.324 1.715 0 40 IDAB CS(=O)(=O)N1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3cccnc3)CC[C@@H]12 96145250 JXRFOLDQWXUKCL-KNQAVFIVSA-N 442.541 1.977 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(S(N)(=O)=O)ccc21 100876579 GZBBCQICGAEBLS-JZJYNLBNSA-N 439.902 1.918 0 40 IDAB CCn1cc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@](C)(N=3)[C@H]2C(=O)OC)c(C)n1 103044530 XKWVEXZLFVLRPN-QEWVGDILSA-N 438.509 1.384 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 169685336 BUQHFGFRUJETAR-DVSDUFGPSA-N 443.408 1.129 0 40 IDAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccc(OC)c(OC)c1 217490001 DIEVBRJKZHIXIA-UHFFFAOYSA-N 438.502 1.981 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223333655 ADLWPJFWGGSGIR-OAHLLOKOSA-N 449.529 1.865 0 40 IDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[C@]3(CCC2=O)Nc2ccccc2S(=O)(=O)N3)C1 253601451 AQUNBDLGTBRWTD-WHSLLNHNSA-N 434.562 1.604 0 40 IDAB Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)c(OC[C@H](N)C(C)C)c1 257214199 CKZOPNOTEATGMM-BZSNNMDCSA-N 437.537 1.063 0 40 IDAB Cn1c(=O)n(C)c2cc(NC(=O)CN3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)ccc21 257248375 JDJVZLXENWVYQY-REWPJTCUSA-N 442.491 1.859 0 40 IDAB CS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)NCc3ccc4[nH]c(=O)[nH]c4c3)cn2)C1 257286995 PNYRJRIMCWTKTH-OAHLLOKOSA-N 429.502 1.320 0 40 IDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2cc4ccccc4[nH]2)C3)n1 306125303 CMACONWESXRLIX-INIZCTEOSA-N 426.498 1.975 0 40 IDAB CS(=O)(=O)N[C@H]1CCN(C(=O)N2CCCC2)C[C@@]12CCN(Cc1cccs1)C2 306142188 WSFWVLNBOFPGAD-HKUYNNGSSA-N 426.608 1.780 0 40 IDAB CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 408622117 MNUWSICXUJUBGR-UHFFFAOYSA-N 426.535 1.898 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCOCc2ccccc2Cl)C1 585289464 HDHSFBAXYMPUIE-UXHICEINSA-N 440.949 1.243 0 40 IDAB CC(C)CC(=O)N1CCCN(C)CCN(C(=O)CNS(C)(=O)=O)Cc2ccccc21 643555286 YPNKAFDWVAFQBR-UHFFFAOYSA-N 438.594 1.279 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5cccc(C)c5)C[C@H]4C3)ncnc21 1888944361 ABWZZWIPPBQKMI-IAGOWNOFSA-N 442.545 1.538 0 40 IDAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 3421090 SLRGHYRWRZTQDQ-UHFFFAOYSA-N 447.513 1.427 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 9275202 MDHMHJKEVHNDLL-CYBMUJFWSA-N 432.458 1.032 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 9426577 ZMRQDWPLQGZICZ-INIZCTEOSA-N 447.488 1.680 0 40 IDAB CN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 9492168 CKYJATJUQJXJRL-KRWDZBQOSA-N 440.518 1.667 0 40 IDAB CC(=O)[C@H](Sc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1)C(=O)N(C)C 9517892 DOBNIOSHOVIGDV-WFASDCNBSA-N 447.542 1.668 0 40 IDAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9578314 KHIVXTOHEMOSTB-UHFFFAOYSA-N 437.525 1.903 0 40 IDAB O=C(NC(=S)N(CCO)Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9579562 BBOCOPWBAXTAAR-UHFFFAOYSA-N 447.582 1.980 0 40 IDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 10219884 PRRNFCIBYCAHEW-ZDUSSCGKSA-N 438.893 1.188 0 40 IDAB COc1cccc(C(=O)NCCS(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 10705372 UPCLAHYWMGSIHH-UHFFFAOYSA-N 434.514 1.830 0 40 IDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 12643380 LTNLPFYIBLTYFY-UHFFFAOYSA-N 447.513 1.889 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)Cn2c(=O)cnc3ccccc32)c(=O)[nH]c1=O 12905137 WIYTZJNNHLKGCE-UHFFFAOYSA-N 440.504 1.318 0 40 IDAB COc1ccc(-c2csc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cc1 12988689 IMPNWFPMOJVOKJ-ZDUSSCGKSA-N 448.526 1.923 0 40 IDAB C[C@@H](OC(=O)COc1cccc2c1OC(C)(C)C2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12998976 OTJHPPYDFRQIFX-CYBMUJFWSA-N 448.497 1.997 0 40 IDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14122209 MVDOKNGLVZBFJI-UHFFFAOYSA-N 446.460 1.195 0 40 IDAB COc1cc(OC)c(C2=CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c(OC)c1 14349994 XILMOKVNMMVVJQ-UHFFFAOYSA-N 438.546 2.000 0 40 IDAB Cc1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)c1 16040118 DXEGUBZOOFITMD-UFDDZYLRSA-N 434.489 1.835 0 40 IDAB biogenic Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)O)cc2)c1C 17099488 DQYDSTRAERNLKZ-FZKCQIBNSA-N 435.458 1.909 0 40 IDAB CNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)nc1-c1ccc(OC)cc1 19698893 QAXYHBAINJXZLH-QGZVFWFLSA-N 441.532 1.483 0 40 IDAB Cc1cc(NC(=O)Cn2cc(C(=O)N3CCC[C@@H](CN4CCCC4)C3)ccc2=O)no1 19751008 IDLLHQWVLQAQTL-KRWDZBQOSA-N 427.505 1.731 0 40 IDAB Cn1c(=O)c2ccccc2n2c(COC(=O)c3cc(S(C)(=O)=O)ccc3Cl)nnc12 22106326 HKXKKCNPDYWBFM-UHFFFAOYSA-N 446.872 1.995 0 40 IDAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NC[C@@H]1COc2ccccc2O1 22774633 HRWZRZVDVCLXGF-GOSISDBHSA-N 425.485 1.489 0 40 IDAB Cc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1 22829408 QNOXVGFANXWGFK-UHFFFAOYSA-N 444.601 1.944 0 40 IDAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1cccc(I)c1 22934882 CQSUOWPDVYNAJO-UHFFFAOYSA-N 442.301 1.126 0 40 IDAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)N1CCN(S(C)(=O)=O)CC1 23138483 KKSUOMGSRPNIFQ-UHFFFAOYSA-N 436.559 1.017 0 40 IDAB C[C@H]1Cc2cc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)ccc2N1S(C)(=O)=O 23316134 IUFPWMTVGCNBDB-RDJZCZTQSA-N 435.546 1.108 0 40 IDAB Cc1csc(=O)n1CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 23466444 VYMQYRUYBHWDCU-UHFFFAOYSA-N 425.532 1.344 0 40 IDAB Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCCCn2nc(C)cc2C)c1 39995427 VTFLTVAUAKVYHN-LJQANCHMSA-N 434.562 1.548 0 40 IDAB Cc1cccc(S(=O)(=O)c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2N)c1 71772155 BFWARDONUVARKV-UHFFFAOYSA-N 427.486 1.755 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCC[C@H](O)C3)CC1)O2 72328012 RBGGXZKYFNKWLO-SAHWJRBASA-N 429.517 1.240 0 40 IDAB C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccn(C)n4)CC3)n2)C1 72337662 ZOUQZOZMTZGXLC-OAHLLOKOSA-N 446.577 1.870 0 40 IDAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 72377313 SYQZAJXFLWQYAX-IBGZPJMESA-N 435.484 1.958 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCc3ccccn3)o2)cc1 77099352 IDQXBPSIQDHZLL-UHFFFAOYSA-N 433.515 1.937 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2(C(=O)OC)CCCC2)c1 84774007 QHBSPUYOJAYFSE-UHFFFAOYSA-N 439.534 1.049 0 40 IDAB CCOc1ccc(NC(=O)COC(=O)c2cnc(N3CCOCC3)nc2COC)cc1 96182429 RJHRVPUAXXXUHT-UHFFFAOYSA-N 430.461 1.654 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCc1ccc(OC)c(OC)c1)c1ccc2c(c1)OCO2 216385708 IMIRNQNASISYTE-UHFFFAOYSA-N 436.486 1.905 0 40 IDAB COc1ccc(CNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c(OC)c1OC 224004718 AAMJDFPFRVGHCS-UHFFFAOYSA-N 440.493 1.930 0 40 IDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)COc3ccc(CN4CCCC4)cc3)C2)ncn1 257248570 JEGMUJCNPNVMLQ-XMMPIXPASA-N 439.560 1.907 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3cc(-c4cccc(F)c4)no3)[C@H]2O)CC1 257290467 QDBYGSHNQNEKPQ-YFVAEKQCSA-N 430.480 1.657 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 408595864 VNJYTTCMDLHUJE-UHFFFAOYSA-N 443.953 1.473 0 40 IDAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)N[C@@H](C)c2ccccc2)CC1=O 408654160 JXPHJDJQRZWXLC-DOTOQJQBSA-N 439.468 1.609 0 40 IDAB COc1cc([C@@H](CC(=O)N[C@@H]2C=CS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O 524731797 KQRGDAUIDRPQMW-ZIAGYGMSSA-N 435.454 1.317 0 40 IDAB biogenic O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NC[C@H]1CCS(=O)(=O)C1 524734221 KOFAQLCNPADDLU-VLIAUNLRSA-N 439.493 1.352 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 6177649 URNKSPDGODBVCP-LLVKDONJSA-N 431.880 1.819 0 40 IDAB CN(Cc1nc2ccccc2s1)C(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 8850147 UYMKIAOKEDSYQU-UHFFFAOYSA-N 446.554 1.901 0 40 IDAB COc1ccc(-c2noc(CN3C(=O)N[C@](C)(c4cccc(-n5cnnn5)c4)C3=O)n2)cc1 9385625 DAJSJLSDMHWCIM-OAQYLSRUSA-N 446.427 1.688 0 40 IDAB CCOc1ccc(-n2nnnc2CNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 9570552 CHKSSALGJMSVPH-UHFFFAOYSA-N 434.456 1.754 0 40 IDAB COc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)cc1 9713326 WGNGVLUFWOQBFY-UHFFFAOYSA-N 444.451 1.300 0 40 IDAB Cc1ccc(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 11403014 LIXSPGSGPQYUPM-HZPDHXFCSA-N 438.546 1.677 0 40 IDAB CCCc1n[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 11462369 GUVKFAAGRHVUNB-UHFFFAOYSA-N 425.536 1.509 0 40 IDAB CCOc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1S(=O)(=O)N(C)C 12732003 DPENGAQKHRGDHV-UHFFFAOYSA-N 444.513 1.993 0 40 IDAB Cc1cc(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c2c3c(c(=O)oc2c1)CCC3 13555317 MMKIACWYYMSTEW-UHFFFAOYSA-N 442.493 1.933 0 40 IDAB Cc1c(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(=O)oc2c(C)c(O)ccc12 13555557 CHYHNCBHAMZMNX-UHFFFAOYSA-N 430.482 1.664 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 13720903 TWHTUTHSXQTLIQ-UHFFFAOYSA-N 444.557 1.840 0 40 IDAB COc1ccc(N2C(=O)C[C@@H](N3CCC(C4CCN(S(C)(=O)=O)CC4)CC3)C2=O)cc1 15084176 FDGCPUOWGAIALM-HXUWFJFHSA-N 449.573 1.711 0 40 IDAB CC(C)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3cc(C4CC4)on3)C1)C2=O 19699978 UAJWAQTXBKYUQY-MRXNPFEDSA-N 429.521 1.951 0 40 IDAB O=C([C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ccccc1)N1CCOCC1 21625209 HEYUUZOBMUAFRC-PBHICJAKSA-N 437.543 1.739 0 40 IDAB NC(=O)c1ccsc1NC(=O)COC(=O)CCNC(=O)CCC(=O)c1cccs1 21738755 HJRVIGFIMARRSZ-UHFFFAOYSA-N 437.499 1.560 0 40 IDAB CCCCN(C(=O)COC(=O)c1cnc2c(cnn2C(C)C)c1)[C@@H]1CCS(=O)(=O)C1 22613471 FJSWORBYMMHDAE-QGZVFWFLSA-N 436.534 1.985 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)N[C@H](c1ccccc1)c1cccs1 22791157 FZYICLYLTMOSAS-HSZRJFAPSA-N 442.585 1.430 0 40 IDAB CCOC(=O)C1=C(CSc2ccc(S(=O)(=O)N(C)C)cn2)NC(=O)N[C@H]1CC 23291984 IGWZCGSYJSQTFM-LBPRGKRZSA-N 428.536 1.333 0 40 IDAB CSc1nc(C)c(CCC(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)n1 29182608 SJYUWNHATSZVMI-CHWSQXEVSA-N 430.596 1.303 0 40 IDAB CC(=O)Nc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1 32615437 BMWQLHSYSDFNIQ-UHFFFAOYSA-N 444.451 1.550 0 40 IDAB CCn1c(S[C@H]2CCCCNC2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 32871623 DUEXTXULVAKPNO-KRWDZBQOSA-N 438.575 1.838 0 40 IDAB CCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(Br)cc1 39986027 FDHFGYGDKQYKBJ-UHFFFAOYSA-N 448.383 1.298 0 40 IDAB CC(C)CN(C(=O)c1cnc2ccccn2c1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 40129365 ABUVJHKNWPEELM-UHFFFAOYSA-N 426.477 1.086 0 40 IDAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 40283513 LRIDQYWAFAXKKH-OAHLLOKOSA-N 445.497 1.715 0 40 IDAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCc1cccnc1-n1cccn1 48288420 LTTFMBGAGKJBDP-UHFFFAOYSA-N 431.543 1.972 0 40 IDAB O=C(C[C@@H](CN1CCN(CCN2CCCC2)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 71283925 KXQIDEDTLDQZEM-SFHVURJKSA-N 446.548 1.201 0 40 IDAB COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NCCc3ccncc3)C2=O)cc1OC 96125589 QBEWCVBNXBWHGA-GOSISDBHSA-N 440.500 1.701 0 40 IDAB COc1ccccc1N1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 102988032 SGQPUDPDOMLLPG-QGZVFWFLSA-N 447.488 1.473 0 40 IDAB Cc1nnc2c(N3CC[C@@H](NS(=O)(=O)c4ccccc4OC(F)(F)F)C3)nccn12 575414557 KHIQPWSBAQEQLL-GFCCVEGCSA-N 442.423 1.889 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(c1cccc(O)c1)[C@H]1CS(=O)(=O)C[C@@H]1O 575421084 HOJUARLTUPAVCM-HOTGVXAUSA-N 427.500 1.062 0 40 IDAB CCOC(=O)[C@H]1CN(Cc2ccco2)C[C@@H]2CN(C(=O)c3ccnc(F)c3)CCN2C1 585108168 JMYZTRQIWNMGKU-ZWKOTPCHSA-N 430.480 1.635 0 40 IDAB C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@@](C)(O)c3cccc(F)c3)cn2)C[C@@H](C)O1 1623184536 XTGNAGCUMIVWKJ-VTJXTGGHSA-N 433.484 1.687 0 40 IDAB O=C1CCCN1CCCOc1ccc(CNC[C@]2(O)CCN(c3ncccn3)C2)cc1 2037921688 HCJQYFJRWNKAJD-HSZRJFAPSA-N 425.533 1.599 0 40 IDAB CCCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C 880897 IUKZRWSNDPIRII-UHFFFAOYSA-N 432.502 1.836 0 40 IDAB COCCNc1nc(SC)nc2c1cnn2CCNC(=O)Cc1ccc(OC)cc1 8943880 VKKLCEABLMQZJA-UHFFFAOYSA-N 430.534 1.974 0 40 IDAB NC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 9217179 AEGNTOBYCLEDSM-IBGZPJMESA-N 433.574 1.690 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1cccnc1 9422919 PNRJLNIELSNKCJ-AWEZNQCLSA-N 436.921 1.891 0 40 IDAB COc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1S(=O)(=O)N1CCCC1 9491574 KKOFYGPVKHKNHE-UHFFFAOYSA-N 439.515 1.379 0 40 IDAB CC(=O)[C@@H](Sc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1)C(=O)N(C)C 9517893 DOBNIOSHOVIGDV-SWLSCSKDSA-N 447.542 1.668 0 40 IDAB CCCn1c(N)c(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(=O)n(C)c1=O 9579184 CWFHVELIVBJCEZ-OAHLLOKOSA-N 428.489 1.330 0 40 IDAB CCOC(=O)CN1C(=O)[C@@]2(C(C(=O)OCC)=C(C)OC(N)=C2C(=O)OC)c2ccccc21 9695326 ALPTWAQSJPZMST-JOCHJYFZSA-N 444.440 1.045 0 40 IDAB COC(=O)CCn1c(=O)c2c(nc3n(-c4cc(OC)ccc4OC)c(C)cn23)n(C)c1=O 9713110 LCNKDSUBWUOTPQ-UHFFFAOYSA-N 441.444 1.027 0 40 IDAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9728980 IXNYESXIIVAULG-UHFFFAOYSA-N 449.529 1.355 0 40 IDAB CCOC(=O)N1CCN(C(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)CC1 9821346 ORTSNDORPZUEKP-UHFFFAOYSA-N 438.531 1.787 0 40 IDAB CCN(CC)CCn1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 10233409 XCGVYGMBQUBNSG-UHFFFAOYSA-N 426.496 1.987 0 40 IDAB CN1CCN(c2ccc(NC(=O)c3cccc(N4C(=O)CCS4(=O)=O)c3)cc2)CC1 11859483 VVKSLMYRVNVVPX-UHFFFAOYSA-N 428.514 1.757 0 40 IDAB Cc1ccc(-n2c(SCC(=O)N[C@H]3CCS(=O)(=O)C3)nnc2N2CCCC2)cc1 12533410 WSHSTOVTSQEVQS-HNNXBMFYSA-N 435.575 1.571 0 40 IDAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)CN(C)C(=O)c3ccccc3)cc2)CC1 12890877 QISGDHQXEXPJFA-UHFFFAOYSA-N 444.557 1.724 0 40 IDAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1OC 14876992 YJVDHAOFNNBXHJ-UHFFFAOYSA-N 432.458 1.973 0 40 IDAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)ccc21 16831321 OPMJJMIEWZDMOP-HXUWFJFHSA-N 429.542 1.812 0 40 IDAB CC(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699669 AEGLLAIDJXTTCB-SFHVURJKSA-N 426.517 1.860 0 40 IDAB NC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(S(=O)(=O)N2CCOCC2)C1 19739057 DATMLWVHWIZKHW-IBGZPJMESA-N 426.539 1.019 0 40 IDAB O=C1C(=O)N(CN2CCN(CCOc3ccccc3)CC2)C(=O)N1Cc1cccs1 22793579 JZJRWRPFVJTEIY-UHFFFAOYSA-N 428.514 1.693 0 40 IDAB Cc1sc2ncnc(SCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2c1C 23846676 MHRIFGHRBYXMIW-AWEZNQCLSA-N 440.616 1.732 0 40 IDAB Cn1c(=O)n(CCC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c2ccccc21 24778154 GLJDLCOKTHRSAO-UHFFFAOYSA-N 432.488 1.055 0 40 IDAB O=c1oc2ccccc2n1CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 27493173 HRJLFWLFUJISCH-UHFFFAOYSA-N 427.404 1.976 0 40 IDAB COc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4ccccn4)c(=O)nc2-3)cc1OC 32615404 TUDPDPZETJCQMY-UHFFFAOYSA-N 447.451 1.609 0 40 IDAB O=C(CN1CCC[C@@H]1c1nnc2ccccn12)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 32797407 FFORUPXOIIASJN-FGTMMUONSA-N 447.561 1.061 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC[C@@H]3CCCO3)CC2)cc1C 32945026 KZIRGDSEBKPACX-SFHVURJKSA-N 438.546 1.543 0 40 IDAB O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1ccc2c(c1)OCCCO2 35362669 PFFVOWLZSHKPGJ-UHFFFAOYSA-N 445.541 1.934 0 40 IDAB Cc1c(CC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c(=O)oc2cc(O)ccc12 35378228 AVUKMVUEVRYQPL-UHFFFAOYSA-N 441.528 1.896 0 40 IDAB NC(=O)[C@@H]1CCCN1[C@H](C(=O)O)c1cn(CCC(=O)O)c2cc(Br)ccc12 36366427 ZFWVMYZFVLIIIX-BBRMVZONSA-N 438.278 1.954 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)c1 36405702 OADQKSFIJAHWRH-UHFFFAOYSA-N 431.514 1.977 0 40 IDAB CC(=O)N1CCN(C(=O)[C@H](NC(=O)c2cccs2)S(=O)(=O)c2ccc(C)cc2)CC1 36625396 KYOSOPXHJQVCOX-LJQANCHMSA-N 449.554 1.277 0 40 IDAB Cc1oc(-c2cccs2)nc1CC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 40089310 TZZUBXPNODNBOB-BETUJISGSA-N 427.548 1.809 0 40 IDAB CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)c2nc(N3CCCC3)ncc2Cl)C1 58439220 NVXVJDOQBGWKSB-CQSZACIVSA-N 429.974 1.910 0 40 IDAB O=C(C[C@H](CN1CCN(Cc2cccnc2)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 71283425 XGBFBRKHVIFTSP-GOSISDBHSA-N 440.500 1.700 0 40 IDAB Cn1cc(CN2C[C@@H]3CN(Cc4ccoc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 96056187 ATGOJXBQLLBZRT-GMAHTHKFSA-N 427.549 1.586 0 40 IDAB COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c(OC)c1OC 223851995 JEBJZMIXMYIGMF-UHFFFAOYSA-N 430.508 1.637 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 245015234 LSGVECZKXOQTPM-UHFFFAOYSA-N 444.513 1.680 0 40 IDAB CN1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3cccnc3N2)CC1 253596526 SDDDCBPFOZNGQF-YAPKBZITSA-N 426.565 1.123 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408670918 XRFRRIDHIGFSOI-HODQNMRISA-N 442.468 1.765 0 40 IDAB COc1cccc(NC(=O)N2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2CN(C)CCN23)c1 1772595337 NNGIYBDKJMWKRK-HXUWFJFHSA-N 427.549 1.887 0 40 IDAB COc1cc(C)c(C)cc1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nnc(C)n4n3)C[C@H]2C1 1888919656 GRDAHAASWWTYHB-IRXDYDNUSA-N 442.545 1.815 0 40 IDAB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(NC(CO)(CO)CO)ccc(c34)C2=O)cc1 1005488 OAPAVPRZBNKBJU-UHFFFAOYSA-N 449.463 1.726 0 40 IDAB Cc1cc(NC(=O)COC(=O)/C=C/c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)no1 3376277 QPRNFMVEQPDBJG-PCAWENJQSA-N 442.881 1.696 0 40 IDAB Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)n2)cc1 9375903 LZFMFFHEJYMJKO-IBGZPJMESA-N 425.514 1.864 0 40 IDAB COc1ccc(-c2nc(SCC(=O)N3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 9382386 RCNQHMNLALVRAL-UHFFFAOYSA-N 441.513 1.417 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1ccc(F)cc1 9577122 ZCTPQZYJEZUPOV-QGZVFWFLSA-N 433.505 1.659 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(OCC)cc4)c(C)cn23)n(C)c1=O 9829406 QGCRAYWKTLYFAG-UHFFFAOYSA-N 425.445 1.409 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c2ccc(F)cc2N1 11336325 UYOOPSPZMWADQS-QGZVFWFLSA-N 435.452 1.924 0 40 IDAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1S(=O)(=O)N1CCCCC1 13117917 WDBKHHZODXUPKO-NRFANRHFSA-N 448.545 1.829 0 40 IDAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ncccn2)CC1 15700849 LAQIEGNEEPTDDG-KRWDZBQOSA-N 429.546 1.686 0 40 IDAB Cc1cc(C(=O)NCCn2ncc3c(N4CCN(Cc5ccccc5)CC4)ncnc32)no1 17014127 VKRSKJMKBNGLFQ-UHFFFAOYSA-N 446.515 1.875 0 40 IDAB CN(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699641 PNWFMWYIWUHJBM-FQEVSTJZSA-N 441.576 1.168 0 40 IDAB CCOC(=O)N1CCN(C(=O)COC(=O)COc2ccc(Br)cc2F)CC1 21153984 YXKNMWQHKMYQFE-UHFFFAOYSA-N 447.257 1.811 0 40 IDAB COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 23458631 VWHBCFRKYHGPNA-UHFFFAOYSA-N 427.523 1.304 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1OC 26111834 BOTOKTHWPGXXJS-UHFFFAOYSA-N 447.513 1.290 0 40 IDAB CNC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ccccc2O1 29767499 ZAPVUNRFJNCLRJ-JLTOFOAXSA-N 437.452 1.351 0 40 IDAB COc1cc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC 32106566 ZEPQLEBGRBXMOB-AWEZNQCLSA-N 427.457 1.820 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC3CCCCC3)CC2)c1 35500527 KHSZETQNTHVIAW-UHFFFAOYSA-N 436.578 1.768 0 40 IDAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(CC(=O)N3CCCC3)CC2)c2ccccc21 36365682 KIQHVXKXTMTKIN-OAQYLSRUSA-N 428.489 1.092 0 40 IDAB CCOc1ccccc1CN(C[C@@H](C)O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 40138948 QUYNDNAOGSDYSW-MRXNPFEDSA-N 435.546 1.868 0 40 IDAB CC(C)N1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)cc2S1(=O)=O 48303423 LOLYFJZHMKMYBH-MRXNPFEDSA-N 433.530 1.618 0 40 IDAB COc1cccc(OC)c1NC(=O)C(=O)Nc1c(C(N)=O)nnn1Cc1ccc(F)cc1 57730958 RWHNWUHPKDVCNN-UHFFFAOYSA-N 442.407 1.159 0 40 IDAB COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(CC(=O)N(C)C)[C@@H]3CO)cc2)cc1 72321288 JHMWDWNUCXPKKV-DENIHFKCSA-N 441.484 1.297 0 40 IDAB biogenic,in-vitro CCc1nnc(NC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)s1 72326737 UGKBONPSYCMVEU-YUNKPMOVSA-N 429.502 1.959 0 40 IDAB O=C(N[C@H](c1nccs1)C1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ccccn1 72394661 GCRUCQQUZSITPW-RDJZCZTQSA-N 448.570 1.683 0 40 IDAB CC(=O)Nc1cccc(NC(=O)C[C@H](CN2CCN(c3ccccn3)CC2)C(=O)O)c1 72401666 QWCBWDIYFCTXLV-QGZVFWFLSA-N 425.489 1.892 0 40 IDAB CC[C@@H](SC)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 89941913 BGSFDKHCPKRCJC-OAHLLOKOSA-N 446.547 1.339 0 40 IDAB COc1cc2ncn(CC(=O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)c(=O)c2cc1OC 100791172 KFMHQQSBAPRORO-HUUCEWRRSA-N 436.468 1.221 0 40 IDAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccs3)C2)C(=O)N1Cc1ccccc1Cl 225392435 TZLPJDXNKRAETO-QAPCUYQASA-N 431.945 1.960 0 40 IDAB biogenic,in-vitro Cc1noc(-c2cccn3c(CNC(=O)CCn4cnc5ccccc5c4=O)nnc23)n1 225747456 WQKIDQFKLDQYPR-UHFFFAOYSA-N 430.428 1.504 0 40 IDAB CCn1ccc(C(=O)N2CCN(C)[C@@H](C(=O)NCCc3c(C)n(C)c4ccccc34)C2)n1 257250311 JMADNKSGVHMIQW-JOCHJYFZSA-N 436.560 1.818 0 40 IDAB CN1CCN(C(=O)CCC2=NNC(=O)CC2)C[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 257326568 WXRJOFJGZIVIFK-FQEVSTJZSA-N 440.548 1.414 0 40 IDAB CN(CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCCO)c1ccccc1)S(C)(=O)=O 260725266 TZXOAWLWFGHZKH-NRFANRHFSA-N 447.557 1.147 0 40 IDAB COc1cc([C@H](CC(=O)N[C@@H]2C=CS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O 524731795 KQRGDAUIDRPQMW-KGLIPLIRSA-N 435.454 1.317 0 40 IDAB biogenic O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCCN1CCN(c2ccccc2F)CC1 2951943 NMEHDVADJPZRLB-UHFFFAOYSA-N 439.491 1.157 0 40 IDAB COc1cc2c(cc1NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)oc1ccccc12 3215936 HSANNRKGAZVNFS-UHFFFAOYSA-N 433.424 1.980 0 40 IDAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NC(=O)CN1CCCC1=O 3446522 VQXMNMXEAWHMBD-UHFFFAOYSA-N 436.493 1.743 0 40 IDAB NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 4489444 FTPBBZJUEIZJPC-UHFFFAOYSA-N 430.368 1.944 0 40 IDAB CC(=O)O[C@H]1CO[C@H](n2cc(C(=O)C(=O)O)c3ccccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 6073950 GKASZHXFBQGIKI-NBYUQASBSA-N 447.396 1.233 0 40 IDAB COc1cccc(-c2nnc(SCC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)n2C)c1 9120565 PDJCHWQHEMYJDL-UHFFFAOYSA-N 440.485 1.419 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccc(Cl)cc1 9420271 VRQWTZKZHQYQGM-IRXDYDNUSA-N 442.907 1.658 0 40 IDAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCCn2cnc3ccccc32)c1 9684163 OKKGHCKPXDRBHW-UHFFFAOYSA-N 443.529 1.340 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccco1 9744354 ZOXDLMOCRSLDDO-INIZCTEOSA-N 437.493 1.785 0 40 IDAB O=C(c1cccc(N2CCCC2=O)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 10030682 QPPWFQJNGHKKAJ-NRFANRHFSA-N 435.480 1.938 0 40 IDAB NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 10707119 SEOJUHWCGCHKJL-UHFFFAOYSA-N 442.497 1.041 0 40 IDAB CCCCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c(=O)n(C)c21 11796857 JSBWQDYXASXRCD-UHFFFAOYSA-N 441.507 1.940 0 40 IDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12913541 LZBMBVHWTTYJOZ-ROUUACIJSA-N 433.530 1.085 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 14231091 RCURRLSOUCXFHU-UHFFFAOYSA-N 442.497 1.854 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nc(N)cc(=O)[nH]2)ccc1C 16035317 YRLLDLGXAWZJGP-UHFFFAOYSA-N 425.536 1.422 0 40 IDAB Cc1ccnc(-n2c(SCC(=O)O[C@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)c1 17101681 FOFREMLKIXFGOD-AWEZNQCLSA-N 445.522 1.912 0 40 IDAB C[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N1CCN(c2ccccn2)CC1 19077481 NJXRMKHOTPZFEZ-ZDUSSCGKSA-N 432.531 1.102 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccnc3)[nH]c2=O)C1 19520472 BHGBOQURWNXZPM-QGZVFWFLSA-N 431.518 1.240 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)[nH]c(=O)c2C1 19592898 FMQDSBVSUAPVNY-GOSISDBHSA-N 446.454 1.947 0 40 IDAB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)cc(Br)c1OCC(N)=O 22344649 AXPMXSSWNIQQID-WUXMJOGZSA-N 426.267 1.381 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(C(=O)c4ccccc4Cl)CC3)ccc21 27914721 XFXPIFWNZHTPRB-UHFFFAOYSA-N 448.932 1.677 0 40 IDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 33001812 LUSWYWUJKCYHKP-CABCVRRESA-N 428.514 1.948 0 40 IDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(OCc3nccn3C)cc2)cc1 40119810 SMKPBYSCMAJNIG-UHFFFAOYSA-N 428.514 1.978 0 40 IDAB O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc2c(c1)OCCO2 67318819 VCBZEAGNQUXYNO-UHFFFAOYSA-N 449.463 1.884 0 40 IDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[C@@]3(CCC2=O)Nc2ccccc2S(=O)(=O)N3)C1 72342465 AQUNBDLGTBRWTD-ZOCZFRKYSA-N 434.562 1.604 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(CC[C@@H](O)c3ccccc3)c1)c(=O)n2C 95348887 XWQOMRMHZRJYMM-LJQANCHMSA-N 447.495 1.739 0 40 IDAB O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 95350640 AVLRBZAKEAXQOZ-VWLOTQADSA-N 448.523 1.970 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSCC(=O)/N=c2\sc3ccccc3n2C)CC1 100290797 IPPICVQUJGDJOR-ZZEZOPTASA-N 436.559 1.701 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2c(C)cc(C)cc21 101345240 ATDACDBZCLJZGM-BVGIJJTOSA-N 439.559 1.592 0 40 IDAB COc1cccc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@@H]2C(C)=O)c1O 102870885 UWCGRTIBAKTOBG-FLVPYRPUSA-N 436.489 1.989 0 40 IDAB COC(=O)[C@H]1CN(C(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)c2ccccc2O1 225943568 XRSAAPIKTJDQKO-MAUKXSAKSA-N 436.461 1.773 0 40 IDAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3nc4cc(Cl)ccc4n3C)[C@H]2O)CC1 257211778 CAIOWHJYJYBHPW-GUDVDZBRSA-N 433.940 1.355 0 40 IDAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCN1CCCC1=O 524732817 PYIFDWRYRIQGJE-QFIPXVFZSA-N 432.480 1.930 0 40 IDAB Cc1cc(C)c(C)c(OCCCNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c1 585289774 JYTHZIBXYZAFHR-PKTZIBPZSA-N 448.585 1.767 0 40 IDAB O=C(COc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243102 JLYFELGEZCDWOQ-SFHVURJKSA-N 441.509 1.510 0 40 IDAB COc1ccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)cc1 893878 UUFIXJLLLOBMJI-UHFFFAOYSA-N 433.530 1.819 0 40 IDAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)COC(=O)Cn1cnnn1)CC2 3310677 FZGABWNLAZGACM-QFIPXVFZSA-N 437.456 1.408 0 40 IDAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 8685470 LQLZZLCAAQVNDL-HNNXBMFYSA-N 439.921 1.662 0 40 IDAB CC1=NN(CCN2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C1 8704597 MILXWBQHFXYWLS-UHFFFAOYSA-N 449.559 1.935 0 40 IDAB Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)c3ccccc3NS(C)(=O)=O)oc(C)c12 9468892 QCYJXLUSKAKWBB-UHFFFAOYSA-N 434.430 1.300 0 40 IDAB Cc1csc(CC(=O)N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)n1 9666274 JRKILQXYJHPIEG-UHFFFAOYSA-N 448.570 1.654 0 40 IDAB O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)N1CCOCC1 9713557 HJGJKMUTGFSMRW-UHFFFAOYSA-N 437.500 1.382 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 9764171 HPWMFRZFHFXDCQ-FQEVSTJZSA-N 447.488 1.046 0 40 IDAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 12799185 WFYVFBOFJMVCAR-UHFFFAOYSA-N 434.562 1.736 0 40 IDAB COC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)C 12874383 SILVQPMNDZIWFN-GOSISDBHSA-N 440.518 1.172 0 40 IDAB COc1ccc(-c2csc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cc1 12988685 IMPNWFPMOJVOKJ-CYBMUJFWSA-N 448.526 1.923 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1=O 13120980 KIHIHQLKKXEFOM-DYESRHJHSA-N 433.530 1.412 0 40 IDAB COC(CNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21)OC 13571513 KCQLAAMJOGIIJG-KRWDZBQOSA-N 426.473 1.501 0 40 IDAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc(-n3cnnn3)c2)c(=O)[nH]c1=O 14623459 VNAKMPDAXLIWFR-UHFFFAOYSA-N 440.508 1.588 0 40 IDAB CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 15279154 HEDMPGFUXNFRPJ-UHFFFAOYSA-N 435.477 1.703 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccc(F)c4F)C3)[nH]c(=O)c2C1 19572738 AAKOEEAFUQZGAR-CQSZACIVSA-N 438.500 1.745 0 40 IDAB C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20760331 XKLVJEDXEYQMDS-GOAOGJMHSA-N 432.480 1.434 0 40 IDAB biogenic COc1cccc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1 22380922 OUHJRUSHNBLCGO-UHFFFAOYSA-N 441.531 1.350 0 40 IDAB Cn1c(SCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)nnc1-c1cccnc1 23632844 QLEDCZDLXGRYMS-LJQANCHMSA-N 438.557 1.986 0 40 IDAB CCOC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 28201158 RVCSVADGASHKSG-UHFFFAOYSA-N 428.507 1.174 0 40 IDAB Cc1ccc([C@@](O)(CCNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C(F)(F)F)o1 32788715 WGYJVSICZJFLIV-IBGZPJMESA-N 439.390 1.938 0 40 IDAB COc1ccccc1N1CCN(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 36386272 WIAUKLHFSOSICO-UHFFFAOYSA-N 429.521 1.349 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 56907939 SVFJSFURWZXFBK-QGZVFWFLSA-N 446.529 1.551 0 40 IDAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 58010537 PSJXORXVIJHDJA-INIZCTEOSA-N 442.417 1.822 0 40 IDAB COc1ccc(CCNC(=O)CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 89624034 FVRJDZJKHWTFAB-UHFFFAOYSA-N 445.585 1.977 0 40 IDAB O=S1(=O)CCCN1c1cc(NC2CCN(CCN3CCOCC3)CC2)ccc1F 95992664 DGFBKDYZSGZYME-UHFFFAOYSA-N 426.558 1.574 0 40 IDAB COc1ccc(CC(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(Cc2ccccc2)S4(=O)=O)O3)cc1 96263982 OLFASANIDMCZJB-GIWBLDEGSA-N 442.537 1.822 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)C3[C@H]4CCCC[C@H]34)nc2C1 100238114 LSJXOPXAXGBVDD-ZQIUZPCESA-N 434.562 1.990 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(F)ccc21 101345557 NCWSLSXJCOBKAP-ITZAQCPESA-N 443.522 1.646 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222887362 FVZCLFZULCZHTJ-SFHVURJKSA-N 431.558 1.967 0 40 IDAB CN1CCN(CCCNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3cccnc3N2)CC1 253596172 OBGJYBUURDAWIC-DLQDVTGGSA-N 440.592 1.513 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)n(C)c1=O 575621450 XBDHANCWPDBJPR-UHFFFAOYSA-N 433.472 1.272 0 40 IDAB CC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 585284777 ZWSHRSWSAXYFHK-FQEVSTJZSA-N 430.904 1.295 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3ccccn3)CC2)C1=O 8982808 LUEHVFCBHVQXAT-QHCPKHFHSA-N 436.516 1.178 0 40 IDAB CC(C)Cn1cnc2c1c(=O)n(CC(=O)NCC(F)(F)F)c(=O)n2Cc1ccccc1 9612475 KBCRDGRACYMSHF-UHFFFAOYSA-N 437.422 1.743 0 40 IDAB COc1ccc(NC(=O)Cn2ccn(S(=O)(=O)c3ccc(C)cc3)c2=O)cc1OC 9660473 ODEHLIVXHHJUAJ-UHFFFAOYSA-N 431.470 1.851 0 40 IDAB CC(C)[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)NC(N)=O 10923425 VGKYCCVTZKTIEB-AWEZNQCLSA-N 425.488 1.925 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)NCCc2cc3nc(-c4cccs4)ccn3n2)CC1 12186679 RSQONGWLPMVKFF-UHFFFAOYSA-N 433.559 1.788 0 40 IDAB COCCCN(C(=O)Cc1csc2nc(C)cn12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12547805 BNIPLPMIQBASRI-UHFFFAOYSA-N 448.549 1.405 0 40 IDAB O=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCN(CC(=O)N2CCOCC2)CC1 12795569 HSFUNGJAAKYCIO-QHCPKHFHSA-N 442.585 1.430 0 40 IDAB CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccc(C)cc2)n(C(C)C)c1=S 12898971 VNGSVSLXZFOYFJ-VYIWNADRSA-N 436.534 1.087 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 12904293 IZZCREJGEHCRAV-GFCCVEGCSA-N 432.458 1.013 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 13060504 IFKLARASNBRMTR-SFHVURJKSA-N 427.482 1.585 0 40 IDAB O=C1COc2ccc(C(=O)COC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2N1 13148226 JEFNFRUOVSPNMC-UHFFFAOYSA-N 444.465 1.842 0 40 IDAB CC(=O)N[C@@H](CC(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 13148853 SYKZCIXWOHIMNN-KRWDZBQOSA-N 441.440 1.917 0 40 IDAB Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccc4c(c3)n(C)c(=O)n4C)c(Cl)cc21 13577059 WMBSUJGPTTYDGJ-UHFFFAOYSA-N 436.877 1.454 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 14157262 ZTFCDTCGMMSZJI-DSIZOQBWSA-N 427.457 1.855 0 40 IDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 17360280 ZIXAHUVJYMMAOC-UHFFFAOYSA-N 442.497 1.985 0 40 IDAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)c(=O)n1C 19131675 PVMINSODWYSLPI-IBGZPJMESA-N 425.533 1.911 0 40 IDAB CCOC(=O)[C@@H](NC(=O)[C@@H]1[C@H](C(=O)NC(C)C)[C@]1(C)C(=O)c1ccccc1N)C(C)C 19530651 JBSQSEGRZSRBAM-YDSTWLSQSA-N 431.533 1.932 0 40 IDAB CNc1cc(CN(C)C(=O)CN2Cc3ccccc3C2=O)nc([C@@H]2CCCN2C(C)=O)n1 19759864 HZTLVHHUWSLNRX-IBGZPJMESA-N 436.516 1.816 0 40 IDAB O=C(NC1CC1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 20239185 RNUKYEWDMHEGHP-LJQANCHMSA-N 449.554 1.029 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)Nc3cc4c(cc3N(C)C)n(C)c(=O)c(=O)n4C)CC2=O)cc1 20367542 NYGWSQHTTGZLTK-OAHLLOKOSA-N 449.511 1.603 0 40 IDAB O=C(NCc1ccccc1F)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 20614230 XVKRTIDCXWNHFC-GOSISDBHSA-N 429.448 1.360 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 24348089 SBNMZKHIAWASJE-UHFFFAOYSA-N 429.486 1.598 0 40 IDAB O=C(Nc1ccccc1)C1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 26799616 KQPLWUSWBSYJFK-QGZVFWFLSA-N 446.529 1.029 0 40 IDAB C[C@@H](N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)(C)C 27135843 CKFQGRZFRKSLPX-MRXNPFEDSA-N 439.578 1.657 0 40 IDAB CNC(=O)Cc1csc(NC(=O)c2ccc(NC(=O)c3cn(C)nc3OC)cc2)n1 44224802 KZEXEKXTECVRAU-UHFFFAOYSA-N 428.474 1.678 0 40 IDAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1 48277993 AGGLWMJJOWBDMR-IBGZPJMESA-N 432.908 1.641 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@H]4OCCN(C)[C@@H]4C3)ccc2C)cc1 89651307 DNJALXHLHKTVCD-WOJBJXKFSA-N 445.541 1.959 0 40 IDAB Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)c4ccc(OCCN)cc4)C3)c2n1 257225038 FENUVDLJVGZONV-XMMPIXPASA-N 435.528 1.989 0 40 IDAB CN(C(=O)c1ccc(OCCN2CCCC2)cc1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257292140 QKEMSICBZGERNJ-DNVJHFABSA-N 431.577 1.847 0 40 IDAB CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)OCC(=O)c1ccc(Br)cc1 409002033 LRPXPAJKGAXZNI-GFCCVEGCSA-N 429.267 1.944 0 40 IDAB O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cc(Br)cc2nc(O)[nH]c12 1597594534 FTQKCAUGYLYUOJ-QLJPJBMISA-N 444.307 1.497 0 40 IDAB CCOC1(CS(=O)(=O)NCc2ccccc2CN2CCC(O)CC2)CCOCC1 1621966885 YGLSXRJNDSCSFD-UHFFFAOYSA-N 426.579 1.648 0 40 IDAB Cc1nc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2)nc(O)c1F 1888879221 ROHLVNIIDJRPIU-UHFFFAOYSA-N 431.287 1.903 0 40 IDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1 2642317 CCPLIASZSWFWAA-UHFFFAOYSA-N 440.485 1.652 0 40 IDAB Cc1ccc(NC(=O)COc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1 8696085 UFWLCIFSUBGOHN-UHFFFAOYSA-N 442.497 1.977 0 40 IDAB CCn1nnc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 8708119 KGBSKXRCTDZKHX-UHFFFAOYSA-N 429.502 1.402 0 40 IDAB CSCC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2)CC1)C(=O)O 8791661 VFDAHDCURQFLDZ-ROUUACIJSA-N 433.574 1.621 0 40 IDAB biogenic Cc1ccc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1S(=O)(=O)N1CCCCC1 9129109 CJDOTZRJMBSYEH-UHFFFAOYSA-N 444.513 1.620 0 40 IDAB COC(=O)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1)C(C)C 9134449 ZYZIQSCTBYZYAP-YJBOKZPZSA-N 439.534 1.360 0 40 IDAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cnc2ccccn2c1=O 9793986 WUPANZABWOLSLV-UHFFFAOYSA-N 448.888 1.621 0 40 IDAB Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1CCOCCO 10233368 KRCJEJZCFQWTGU-UHFFFAOYSA-N 431.880 1.168 0 40 IDAB C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 12142049 QIUUAURSRKEDRU-ZDUSSCGKSA-N 429.454 1.334 0 40 IDAB Cc1ccc(CNC(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 12820858 AOBPIXHOHFRGEH-UHFFFAOYSA-N 448.520 1.466 0 40 IDAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1S(=O)(=O)N1CCCC1 12851958 UULPOEGXNKBFHK-CYBMUJFWSA-N 437.474 1.960 0 40 IDAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14202266 MPSGXAQRPDGNSS-NSHDSACASA-N 431.923 1.646 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3s2)cc1 15441475 OXWAPDVMFOGZLF-UHFFFAOYSA-N 428.495 1.529 0 40 IDAB C[C@H]1CN(C(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)C[C@@H](C)O1 16689923 WBADWPJAUKPTHN-KDURUIRLSA-N 441.528 1.977 0 40 IDAB O=C(OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1cccc(N2CCCC2=O)c1 19356367 UKLDYWUQSBFMHV-IBGZPJMESA-N 448.541 1.929 0 40 IDAB COC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 19460555 IZMMNXRTNWXGMV-RTXPOLOASA-N 440.427 1.979 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCCCCC3)CC1)CNC2=O 19562742 VZZCTFYRUAWMSF-QHCPKHFHSA-N 429.517 1.971 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c2=O)C1 19572907 ONRHYYPFHRXNCV-KRWDZBQOSA-N 434.493 1.594 0 40 IDAB CCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1nc(C)c2c(n1)N(CC1CC1)C(=O)CC2 19698106 QKUDNHHRASQXEP-KRWDZBQOSA-N 449.577 1.247 0 40 IDAB Cc1nc(N2CCOCC2)ncc1C(=O)N1CC[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 19756868 BTYNKEFIEFQWIA-MRXNPFEDSA-N 446.511 1.898 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 20033434 BLKBDUCLQGZDGZ-UHFFFAOYSA-N 440.543 1.503 0 40 IDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Br)ccc2O)c1 22250410 DALDNRHDQDYGAO-UHFFFAOYSA-N 429.248 1.598 0 40 IDAB CC(C)OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 22466049 URFGECLXXFTFAZ-LJQANCHMSA-N 425.529 1.839 0 40 IDAB CC[C@]1(C)NC(=O)N(NC(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)C1=O 22914248 JFQBJCXOKSLZNH-FQEVSTJZSA-N 430.534 1.166 0 40 IDAB COc1ccc(F)cc1CN1CCN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 22921647 HGVHUJYEONFNCU-UHFFFAOYSA-N 446.504 1.962 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C(N)=O)cc2)c1 24712459 OTZORKLYJMXJIT-UHFFFAOYSA-N 435.502 1.842 0 40 IDAB CC(=O)N[C@H](NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 26841586 NWNJMUITOYPCJP-MISXGVKJSA-N 437.780 1.974 0 40 IDAB biogenic CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)CC)cc1 32824283 BCYOVWBTMIQVBH-UHFFFAOYSA-N 439.559 1.571 0 40 IDAB C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C(=O)N1CCCc2ccccc21 32860328 UGFOLNKFHZKODG-HNNXBMFYSA-N 447.513 1.560 0 40 IDAB CC(=O)N1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3cc(Br)ccc23)CC1 36353308 OVTAJQDPZLOQGB-KRWDZBQOSA-N 438.278 1.778 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccc6c(c5)OCO6)no4)[C@H]3C2=O)cc1 38655176 BVSFBAGGHJTHRS-QZTJIDSGSA-N 448.395 1.967 0 40 IDAB COc1ccc(CC(=O)N(CC(F)(F)F)C2CC2)cc1S(=O)(=O)N1CCOCC1 60034197 PXOVDMLDOYPTQJ-UHFFFAOYSA-N 436.452 1.812 0 40 IDAB CCOC(=O)CN(CC(F)(F)F)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 60247158 NUEYQSMYPNPTHP-IBGZPJMESA-N 441.406 1.939 0 40 IDAB Cc1cccc(Cn2c(=O)c3c(nc4n(-c5ccc(C(N)=O)cc5)c(C)cn34)n(C)c2=O)c1 72233884 OTKVQUMCBBLEAW-UHFFFAOYSA-N 442.479 1.903 0 40 IDAB COc1cccc(CNC(=O)N2CCN(C(=O)NC(C)C)C[C@@]3(CC(=O)N(C)C3)C2)c1 96143456 NZMOORMELSFTFW-JOCHJYFZSA-N 431.537 1.489 0 40 IDAB C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 105349107 BBRJAESPJYCZMT-NHRZQYMUSA-N 427.407 1.266 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)NCCCN3CCOCC3)cn2)cc1 223384947 ZVXZNNTXBCGFAG-UHFFFAOYSA-N 447.561 1.058 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)ccc1OC 223851537 NQVGHYQBFLHAEA-UHFFFAOYSA-N 447.557 1.756 0 40 IDAB CCn1cc(CN2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@H]3C2)cn1 306135128 OIQIHOBMZLWADW-OALUTQOASA-N 440.529 1.529 0 40 IDAB Cn1ccc(C(=O)N2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccc(F)cc2)C3=O)n1 306139039 SNRZBOCWAGGLHV-GBXCKJPGSA-N 449.486 1.992 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)cc1OC 1888944448 NAAQKELSRQRHMM-KBPBESRZSA-N 444.517 1.137 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccccc2Br)cc1 3338077 KMWUEZLCSIPAMD-UHFFFAOYSA-N 441.303 1.612 0 40 IDAB COC(=O)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 5028651 FWKUJTQARCPILV-MSOLQXFVSA-N 428.441 1.657 0 40 IDAB CC(C)C[C@H](C(=O)NC(C)(C)C)N(C[C@@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N 6190440 GXOAYZPJQNCWMT-QWHCGFSZSA-N 439.582 1.775 0 40 IDAB CNCC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccc(OC)cc4OC)cc3C(=O)N2C1 8296932 ZEEHNFYFHPWFEE-LIRRHRJNSA-N 438.484 1.242 0 40 IDAB biogenic,in-vitro COc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)CC2=O)cc1 8816150 QNAOSLOPEYYQBC-CQSZACIVSA-N 431.470 1.512 0 40 IDAB C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8824806 BMGQPENPGVDIDG-CQSZACIVSA-N 449.485 1.364 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)NCc1ccc2c(c1)OCO2 9660566 RAPLCXRQUCKMBI-UHFFFAOYSA-N 444.447 1.652 0 40 IDAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1nonc1NC(C)=O 9877520 JNDCNNMKECLBME-UHFFFAOYSA-N 445.461 1.808 0 40 IDAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 9948892 BUCLZGDQOVSCCK-HTAPYJJXSA-N 445.541 1.338 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NCCOC)ccc1OC 10008937 HHDBDVOEJBXTDX-UHFFFAOYSA-N 435.502 1.622 0 40 IDAB C[C@H](CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)N1CCCC1 11998516 XQSKYOKDTRCXIY-CQSZACIVSA-N 429.564 1.152 0 40 IDAB CNC(=O)C1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 12334646 HQLVRWDPRGEPKC-CYBMUJFWSA-N 428.455 1.949 0 40 IDAB O=C(COc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 12444772 ZKUHCKJBEGZVTI-UHFFFAOYSA-N 438.937 1.382 0 40 IDAB COc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1S(N)(=O)=O 13000336 WNGFFRUWAIXOQW-UHFFFAOYSA-N 430.486 1.698 0 40 IDAB Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H]3C=CS(=O)(=O)C3)CC2)cc1 13690591 UJZNHPROQLJDSV-JCYILVPMSA-N 426.560 1.507 0 40 IDAB Nc1nccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 14076766 WEWGTNLYZJXJIZ-UHFFFAOYSA-N 449.842 1.878 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](c3c(C)c(=O)nc4n3CCC4)C2)CC1 19520266 CVWJFCCFPHMWPE-QGZVFWFLSA-N 436.578 1.266 0 40 IDAB CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)C[C@@H](C)n4nc(C)cc4C)C3)[nH]c2=O)C1 19572698 ZDQPUFXOMXVUQJ-WBVHZDCISA-N 426.521 1.455 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccccc3)[nH]c2=O)C1 19572895 ONHFGQRYXDOMBM-SFHVURJKSA-N 430.530 1.384 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c(=O)c2C1 19592905 FTUNVKZPCHIZFY-SFHVURJKSA-N 428.464 1.808 0 40 IDAB O=C(NCc1ccccc1)c1cccnc1[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 19709348 ZMINSAPPPJPGII-IBGZPJMESA-N 444.557 1.768 0 40 IDAB COc1ccc(-n2c3c(cc(C(=O)NCCCN4CCOCC4)c2=O)C(=O)CCC3)cc1 20026803 LIABPSCVOUKORX-UHFFFAOYSA-N 439.512 1.817 0 40 IDAB CCOC(=O)N1CCN(C[C@H](O)COCCOc2ccccc2Br)CC1 23109582 HYSKOQPBTMNYKH-HNNXBMFYSA-N 431.327 1.980 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)NC(=O)N[C@@H]1C 23654400 MUEDJTHHBAJSFC-IJEWVQPXSA-N 429.473 1.658 0 40 IDAB COc1cc([C@H](C)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc(OC)c1OC 40111776 UIOVDZVKMPOOQT-NSHDSACASA-N 428.445 1.149 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(S(=O)(=O)C2CCCCC2)CC1 56937706 FHCHWTYIBKOVJK-QGZVFWFLSA-N 444.623 1.644 0 40 IDAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 65590308 YSVONJXWRUZMKI-LQGOSWMKSA-N 431.558 1.360 0 40 IDAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-n4cccn4)nn3)cc2)n1 70641258 PVPLCFMMVAALJD-UHFFFAOYSA-N 436.457 1.814 0 40 IDAB O=C(Cc1ccccc1Cl)Nc1ccc(-n2nnn(CC(=O)NC3CC3)c2=O)cc1 77100236 XDKBHUPQWRXDKR-UHFFFAOYSA-N 426.864 1.542 0 40 IDAB O=C(Cn1cc(-c2nc(-c3cnccn3)no2)ccc1=O)Nc1ccc2c(c1)OCCO2 77100677 USQAIKDWNLXTBW-UHFFFAOYSA-N 432.396 1.765 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H](c1ccccc1)n1cnnn1 95473299 GHQLHODCTKFCCE-HXUWFJFHSA-N 440.529 1.406 0 40 IDAB CCc1ccc(S(=O)(=O)N2CCC(c3nn(CCOC)c(=O)n3CC)CC2)s1 96119167 ZUUXSOLKMACWLC-UHFFFAOYSA-N 428.580 1.903 0 40 IDAB CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)c4ccsc4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143750 NXBKCEKCADQPHQ-OXJNMPFZSA-N 439.603 1.730 0 40 IDAB Cc1cccc(CN2CCC3(CC2)O[C@@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)n1 96243775 CTOXFXLGOFBJQT-WOJBJXKFSA-N 425.533 1.772 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccccn2)c(=O)n1CC(=O)N1c2ccccc2C[C@@H]1C 96794314 WYGPTBDLCRZNAH-ZTABOFEPSA-N 449.532 1.455 0 40 IDAB COC(=O)c1ccc(-c2noc([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)n2)cc1 97105354 DXVJLEIXIFHQDD-CQSZACIVSA-N 442.453 1.691 0 40 IDAB CN1C(=O)[C@@H]2[C@@H](c3cccs3)N3[C@H]4C(=O)N(C)C(=O)[C@@H]4[C@H](c4cccs4)N3[C@@H]2C1=O 100774581 SPHHDFIPWOIWAC-FGZZBPHYSA-N 442.522 1.105 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2F)sc2cc(S(N)(=O)=O)ccc21 100877635 WLSXWHCSCKRGHR-UZYVYHOESA-N 437.474 1.794 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccccc1OC 223432226 PPQXBBXUQIKQLC-UHFFFAOYSA-N 448.541 1.974 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccccc4F)C3)C2=O)cc1 225387981 BNOCQEAGMAITKQ-NQIIRXRSSA-N 439.487 1.393 0 40 IDAB biogenic,in-vitro COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(CC(N)=O)cc1 226066143 MQVZKOIUACQEOA-UHFFFAOYSA-N 425.894 1.636 0 40 IDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C 408607614 NIZYQWMZYMRTHX-CYBMUJFWSA-N 441.531 1.347 0 40 IDAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccc3c(c2)OCO3)[C@@H]1Cc1ccnc(-c2cccnc2)n1 604382116 FJBDKSHVCAUUBQ-XRXFAXGQSA-N 434.496 1.958 0 40 IDAB biogenic,in-vitro COc1cnc(C(=O)NC[C@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)nc1 1565556805 WZDXAYSPBGHPML-OAHLLOKOSA-N 436.472 1.020 0 40 IDAB COc1ccc(CCN2C[C@@H](CN3C(=O)NC4(CCSCC4)C3=O)CC2=O)cc1OC 2298063132 PREGFHQPTHXNRF-INIZCTEOSA-N 447.557 1.912 0 40 IDAB Cc1ccccc1CN1C[C@@H]2C[C@H](NC(=O)NC(C)C)CN2C(=O)[C@@H]1CNC(=O)C1CC1 2332242278 YLQVNSKLXSBXEZ-ACRUOGEOSA-N 441.576 1.383 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1=O 3957740 LGYPESJAICLKSW-UHFFFAOYSA-N 427.457 1.326 0 40 IDAB CCCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nc2c1c(=O)n(C)c(=O)n2C 4102988 YMNZFBJWBJYYHG-UHFFFAOYSA-N 448.574 1.910 0 40 IDAB CCOC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@@H]1N[C@H](C(=O)O)CS1 4768997 XLRLBFNBLXQLPR-ILZDJORESA-N 428.510 1.982 0 40 IDAB CN(Cc1ccccc1)Cc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1 8299255 HMSVBHSYNVRDRR-WWNPGLIZSA-N 438.576 1.479 0 40 IDAB biogenic,in-vitro O=C(COC(=O)CCNS(=O)(=O)c1ccccc1F)Nc1nnc(-c2ccccc2)o1 8881905 YULMXWLMUWWQPX-UHFFFAOYSA-N 448.432 1.726 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)c1 9001356 SKOJKHKKYGRLAH-UHFFFAOYSA-N 447.451 1.657 0 40 IDAB CCCn1c(N)c(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(=O)[nH]c1=O 9056294 MEYSBOUCPRDWGL-UHFFFAOYSA-N 426.502 1.962 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 9348348 NAKPFXYKFPBXHW-KWZJRMENSA-N 438.527 1.767 0 40 IDAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)o2)c1 9707634 HDPMOGQZZHWWCI-UHFFFAOYSA-N 426.410 1.375 0 40 IDAB Cn1c(COC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc(=O)n(C)c1=O 11317817 FBZBMPJBMTXFMW-UHFFFAOYSA-N 447.444 1.381 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3nnc(-c4ccccn4)n3)C2)cc1F 12085420 OYSHPAKHKUGASQ-CQSZACIVSA-N 432.481 1.984 0 40 IDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(N2CCOCC2)cc1 12114542 RDRVQCSYTSJOPV-DETIRCLXSA-N 425.533 1.710 0 40 IDAB CN1CCN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)CC1 12882958 KIMXBIACBUIRKG-QGZVFWFLSA-N 429.546 1.497 0 40 IDAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 13120620 YZTFFBVSJPSIFD-DEOSSOPVSA-N 444.495 1.746 0 40 IDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 13685214 RBRGELOMSOBQPN-YESZJQIVSA-N 425.485 1.875 0 40 IDAB COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)n(CC(=O)O)c(=O)n(C)c3nc12 13727409 MQMKVKQQEPBMBL-UHFFFAOYSA-N 431.836 1.502 0 40 IDAB CCOC(=O)c1cnc(NCCCCCCNc2ncc(C(=O)OCC)c(=O)[nH]2)[nH]c1=O 16939527 SENHADHVQLIAAQ-UHFFFAOYSA-N 448.480 1.291 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3cccnc3)[nH]c(=O)c2C1 19520399 SFJCKYHZGUQFAV-SFHVURJKSA-N 445.545 1.169 0 40 IDAB CN(C)CC(=O)N1Cc2cn(C)nc2[C@@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)C1 19701253 QCEMYIPWRARRDO-SFHVURJKSA-N 426.496 1.387 0 40 IDAB CC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ncccn2)CC1 20150893 VIUQCVUKRGWMEN-GOSISDBHSA-N 442.549 1.476 0 40 IDAB Nc1cc(=O)[nH]c(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 20198340 SWVBJTWEPZNNOP-KRWDZBQOSA-N 445.526 1.149 0 40 IDAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3cc(=O)n4ccsc4n3)CC1)C2=O 22796776 STWAZPKXIFKVEL-YCRPNKLZSA-N 444.561 1.332 0 40 IDAB Cn1c(C(F)(F)F)nn(CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1=S 23285449 VJLDPRSTDYFBJQ-UHFFFAOYSA-N 445.496 1.815 0 40 IDAB O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCN(Cc2ccncc2)CC1 23819147 CBFWOTQUAPEPQK-HXUWFJFHSA-N 444.557 1.497 0 40 IDAB CS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 29992377 OWUBUPUFAKJLHY-UHFFFAOYSA-N 427.324 1.993 0 40 IDAB COc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1 32101180 XNBMHFVRCLPIQP-MRXNPFEDSA-N 437.905 1.867 0 40 IDAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CCS(=O)(=O)CCC(N)=O 32751551 KLTWHNQTPAFJSV-UHFFFAOYSA-N 426.970 1.924 0 40 IDAB COc1cc(OC)nc(NC(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)n1 40068602 NTMWLTCQVCOMLW-HXUWFJFHSA-N 425.401 1.646 0 40 IDAB COc1ccc(CN2CCN(S(=O)(=O)c3cc(C(=O)O)cs3)CC2)cc1OC 49609518 RWAMAIXIXCXXRZ-UHFFFAOYSA-N 426.516 1.970 0 40 IDAB CCOC(=O)Cn1nnnc1CN(Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 57607293 NDVZJPPQJAUUCM-GOSISDBHSA-N 440.504 1.567 0 40 IDAB O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NC[C@@H]1CCCO1 61720345 NAUZVNBJTNKFQV-SFHVURJKSA-N 431.924 1.519 0 40 IDAB O=C(Nc1ccc(N2CCNC2=O)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 64317099 BTCDEXUBGRCFJJ-UHFFFAOYSA-N 428.514 1.699 0 40 IDAB Cc1c(C(=O)N2CCOC[C@@H]2C)nnn1-c1cccc2c1CCN(C1CCOCC1)C2 71890405 JWTOCEVOPNUUCZ-INIZCTEOSA-N 425.533 1.974 0 40 IDAB CC(=O)c1sc(C2CCN(C(=O)CCC(=O)N3CCNC(=O)C3(C)C)CC2)nc1C 72340174 FOHUOOXJNLUIIZ-UHFFFAOYSA-N 434.562 1.877 0 40 IDAB CCn1nc(CCC(=O)N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c2ccccc2c1=O 72395226 KZHDXSLDVCLYJH-HNNXBMFYSA-N 436.516 1.514 0 40 IDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCN(Cc2ccccc2)C1 84535943 CDHOXNAHQNAYKQ-SFHVURJKSA-N 426.542 1.754 0 40 IDAB COCCN(CCNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F)C(=O)OC(C)(C)C 95453675 QJQLDNWSANFAIO-KRWDZBQOSA-N 438.447 1.560 0 40 IDAB CN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4cccnc4)cn23)CC1 96267381 QFJNFYZSJHBRIZ-UHFFFAOYSA-N 434.544 1.517 0 40 IDAB CCOC(=O)CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(C)(C)C 97165007 KVRMBEJHXBHCTM-UHFFFAOYSA-N 442.534 1.520 0 40 IDAB CCc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 105378479 SQGPABFIJDWYSY-PEBCPHBVSA-N 449.507 1.559 0 40 IDAB biogenic COC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)n(C3CC3)c2=O)cc1 206641263 WMFHMAWDLHCXNZ-UHFFFAOYSA-N 443.485 1.207 0 40 IDAB CC(C)N1CCN(C(=O)c2nc([C@@H]3CCCN(S(C)(=O)=O)C3)n3ccccc23)CC1 306133467 MMHAIFYAFVRZCV-QGZVFWFLSA-N 433.578 1.640 0 40 IDAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)Cc1ccc(Br)cc1 408621547 NJDOTMDPEOCFIH-UHFFFAOYSA-N 448.383 1.049 0 40 IDAB COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 504200736 FVYFBZKNEKQMLO-TZIWHRDSSA-N 439.512 1.658 0 40 IDAB biogenic CCOC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 585287787 ROQHHAMOWZEZJT-OAQYLSRUSA-N 426.485 1.251 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)nc(O)n2Cc1ccccc1)c1ccco1 1850653 YHAKEZYKRBCBMA-SFHVURJKSA-N 434.330 1.730 0 40 IDAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccccc1F 1868194 IQLSZVMLAQTHNX-LJQANCHMSA-N 448.332 1.805 0 40 IDAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 9044635 RLNSBAMKDYAREE-CQSZACIVSA-N 430.482 1.875 0 40 IDAB biogenic NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 9349303 NLKZAAQMHZKFDR-DHZHZOJOSA-N 441.553 1.945 0 40 IDAB COC(=O)c1ccc2c(=O)n(CCCCCC(=O)NCCCOC(C)C)c(=O)[nH]c2c1 9589609 NYPXPNVSYOMZFL-UHFFFAOYSA-N 433.505 1.968 0 40 IDAB Cc1cc(NC(=O)CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)no1 11758322 FMPGILBOIOWVAC-UHFFFAOYSA-N 444.498 1.783 0 40 IDAB O=C(NCCc1ccc(F)cc1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029458 OEYHEKINLWBFJG-SFHVURJKSA-N 425.503 1.759 0 40 IDAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2)C1 12289089 IJFOBQWRHHJLIO-UKRRQHHQSA-N 447.923 1.753 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O 12517464 ARDNVYDPDIAYKS-UZUQRXQVSA-N 443.548 1.852 0 40 IDAB COc1ccccc1N1CCN(c2nc(CSc3nnc(N)s3)cc(=O)[nH]2)CC1 13611389 ORTQKUFXJFQENL-UHFFFAOYSA-N 431.547 1.831 0 40 IDAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N(C)Cc1ccccc1 13691368 KWLNFGDEEHKUGA-UHFFFAOYSA-N 438.527 1.973 0 40 IDAB Cc1ccc(C(=O)N[C@H](C(=O)O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 18526894 PKFOFVFWSVYDIE-SZMVWBNQSA-N 438.546 1.327 0 40 IDAB Cc1ccc2c(c1)CN(S(C)(=O)=O)C[C@@]1(CCCN(C(=O)c3cnn(C)c3C)C1)O2 19219457 GMXPTTBKOUQPGW-NRFANRHFSA-N 432.546 1.866 0 40 IDAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 19819018 JGIIIXSBYLJYHC-QGZVFWFLSA-N 433.486 1.149 0 40 IDAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1)C(=O)OC 20763067 ZUWJYCHFZLPDJI-QFBILLFUSA-N 430.461 1.570 0 40 IDAB biogenic C[C@@H]1CN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@@H](C)O1 23509119 SOTMWPZMBGAXQR-IAGOWNOFSA-N 441.569 1.842 0 40 IDAB NC(=O)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 26161618 ABTPWJYPOLDMHX-HXUWFJFHSA-N 431.514 1.381 0 40 IDAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 27271891 KOCOMHZXRISPTK-UHFFFAOYSA-N 429.454 1.175 0 40 IDAB COc1ccc(CCCN(C)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC 32457161 LEGSHLWKESAWSP-UHFFFAOYSA-N 432.498 1.940 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 32837717 PJFWCTUJTLFBHU-UHFFFAOYSA-N 435.889 1.797 0 40 IDAB COc1ccc(N(C[C@@H](O)CN[C@H](C)C(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1 35590778 XIJYLMXKGISIIK-CJNGLKHVSA-N 442.921 1.968 0 40 IDAB COC(=O)c1cnc(N2CCO[C@@H](c3ccccc3)C2)c(S(=O)(=O)N2CCOCC2)c1 40153536 FVTJLEKSCMRQEU-GOSISDBHSA-N 447.513 1.467 0 40 IDAB COCCn1c(=O)c2sccc2n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O 57485910 VCLWOOCZJUDXAQ-UHFFFAOYSA-N 447.513 1.247 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cnn(-c4ccccc4)n3)CC2)o1 58357891 HOXMTGRAPGKSML-UHFFFAOYSA-N 445.501 1.544 0 40 IDAB COc1ccc(-c2cc3nn(CC(=O)NCc4ccc5c(c4)OCO5)c(=O)n3c(C)n2)cc1 67226600 HBDJIZVMXWMWTQ-UHFFFAOYSA-N 447.451 1.920 0 40 IDAB CC1=NN(C)[C@H]2C(N3CCN(CC(=O)c4cccc(Br)c4)CC3)=NC=N[C@H]12 82086856 AWFOCXPRMSCNGN-QZTJIDSGSA-N 431.338 1.748 0 40 IDAB Cc1ccc(CC(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@]32CCN(C)C2=O)cc1 96144296 LSVVZPVLIZLDNN-DEOSSOPVSA-N 426.561 1.992 0 40 IDAB CN(C)C1CCN(C(=O)c2cn(-c3nc(CN4CCOCC4)c4ccccn34)cn2)CC1 96155549 NENVEGJAIBFZTF-UHFFFAOYSA-N 437.548 1.518 0 40 IDAB COc1ncccc1CN1CCC2(CC1)O[C@@H](C(=O)NC[C@@H]1CCCO1)Cn1ccnc12 96243777 HQOGRSZWJUJREE-RBUKOAKNSA-N 441.532 1.472 0 40 IDAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC(C)(C)C 100431316 IFAWXFBHEBGLFS-FJPNIYADSA-N 425.529 1.777 0 40 IDAB O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C(=O)NC3CCCC3)[C@@]23C=C[C@H]1O3 100432009 ZWWNKLNYFSHSJN-IKVZYYAVSA-N 435.524 1.675 0 40 IDAB CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)s1 222856193 XARPQPBJZLSMLC-UHFFFAOYSA-N 427.577 1.757 0 40 IDAB CN(c1ccc(OCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1)S(C)(=O)=O 224508235 DOHOGFAMSOHPPS-UHFFFAOYSA-N 441.531 1.496 0 40 IDAB O=C(NC[C@]1(O)CCN(c2cnccn2)C1)c1ccc(OCCN2CCCCC2)cc1 257206427 BDJPHLJNMLQMPX-HSZRJFAPSA-N 425.533 1.713 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)CCc3ccc4[nH]c(C)nc4c3)CC[C@@H]2O)CC1 257250954 JOSWHBRMPDTMIS-VXKWHMMOSA-N 427.549 1.320 0 40 IDAB CNC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)CCN4CCC(C)=N4)CCO3)n2)cn1 257257918 KRPXPKRGBOXHPU-OAQYLSRUSA-N 436.516 1.875 0 40 IDAB Cn1cc(CN2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@H]3C2)cn1 306124754 BYLGXIMLFWVFCW-OALUTQOASA-N 425.514 1.651 0 40 IDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCC(=O)O 408593500 QCYALEVKJMVHAT-XCVCLJGOSA-N 443.206 1.289 0 40 IDAB CC(C)NC(=O)N[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O 514288382 BXISIGXGXHYKDT-OKZBNKHCSA-N 430.471 1.663 0 40 IDAB biogenic,in-vitro C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nnnn1-c1ccccc1 522351651 UUCRGPGUADCZBH-HNNXBMFYSA-N 442.501 1.174 0 40 IDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1 524732521 LUQUZGDYORUBAO-UHFFFAOYSA-N 435.550 1.257 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)cc1 575617021 MKTARJDCEORJJV-UHFFFAOYSA-N 445.505 1.558 0 40 IDAB CCOC(=O)[C@@H]1CN(Cc2ccco2)C[C@H]2CN(C(=O)c3nnsc3C)CCN2C1 585108154 HCHAGHPJNMPHSY-CVEARBPZSA-N 433.534 1.261 0 40 IDAB CC(=O)N1CCCN(C)CCN(C(=O)Cc2c(C)nc(N)nc2O)Cc2ccccc21 643557145 JTDQCWICOTZNNZ-UHFFFAOYSA-N 426.521 1.333 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(Cc1ccnn1C)C2 1549167310 NOIQHRLZJSTQJC-OAQYLSRUSA-N 437.544 1.481 0 40 IDAB CN1C[C@H](C(=O)N2CCCN(c3ccc4nnc(-c5cccc(F)c5)n4n3)CC2)CC1=O 1775972453 HABMRLCLBDSEPU-MRXNPFEDSA-N 437.479 1.447 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5ccc(OC)c(C)c5)C[C@H]4C3)nn12 1888944377 SARNJNBAVPHRDA-IYBDPMFKSA-N 442.545 1.761 0 40 IDAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1Cl 824783 KFRDKTVPPITICP-SNVBAGLBSA-N 428.276 1.602 0 40 IDAB biogenic COc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)c(OC)c1 932525 URWIMHJANHFLOO-UHFFFAOYSA-N 447.517 1.763 0 40 IDAB COCCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)Nc1ccccc12 2282848 JSRBSYGVUOXATR-QHCPKHFHSA-N 434.404 1.784 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)NCc3ccccc3OC)CC2=O)cc1 5245756 NHCCSUQEOYARHG-RDJZCZTQSA-N 425.485 1.878 0 40 IDAB COCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O 8708903 HTICCLPDELPPLE-ZDUSSCGKSA-N 429.477 1.348 0 40 IDAB Cn1c(=O)n(CC(N)=O)c(=O)c2c1nc1n(-c3ccccc3Cl)c(-c3ccccc3)cn21 8708913 RRGZHNKBXLJLKV-UHFFFAOYSA-N 448.870 1.944 0 40 IDAB COc1ccc(CC(=O)Nc2nnc(SCC(=O)N3CCOCC3)s2)cc1OC 9391033 MTNSDIIMCNTTIM-UHFFFAOYSA-N 438.531 1.687 0 40 IDAB COc1ccc(C(=O)OCC(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCOCC1 9663737 ZBNSRKQNJGVYCN-UHFFFAOYSA-N 440.518 1.131 0 40 IDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 9797014 AJMNAXACAUWTPC-JOCHJYFZSA-N 440.525 1.808 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1c[nH]c(C(=O)N2CCCC2)c1 10031707 BZDBGTCMZFQIMR-UHFFFAOYSA-N 447.513 1.533 0 40 IDAB O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1)OC[C@@H]1CCCO1 12136962 DDBYWWUJLWMZRW-LSDHHAIUSA-N 439.921 1.267 0 40 IDAB O=C(NCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1)c1ccc(F)cc1 12376814 HYELTDHGIIEYNA-UHFFFAOYSA-N 432.433 1.342 0 40 IDAB COCCn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1ccncc1 12634335 WFBWGLIPZKLLEZ-UHFFFAOYSA-N 448.530 1.365 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)CSCC(=O)Nc2ccc(Cl)cc2)cc1 12764531 GKIGVOZGGZIIAG-UHFFFAOYSA-N 427.935 1.976 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)CC2)cc1C 13006302 UQJITIGPZARKFT-FXAWDEMLSA-N 437.587 1.590 0 40 IDAB COc1ccc(CC(=O)N2C[C@H]3CCc4cn(CCNC(C)=O)nc4[C@H]3C2)cc1OC 19021941 IMJPKLXOBFWAMK-MJGOQNOKSA-N 426.517 1.767 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)CC1 19520263 JLEATSLOFIEKIV-KRWDZBQOSA-N 445.545 1.210 0 40 IDAB CN1CCN(C(=O)[C@@]23CC=CCN(Cc4ccc(N5CCOCC5)nc4)[C@@H]2CCC3)CC1 19589778 SMFMGXBDJLBPMF-RCZVLFRGSA-N 439.604 1.993 0 40 IDAB O=C(CSc1nnc(NC2CC2)s1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 21642955 LGOHTQAQYOOGSZ-QWHCGFSZSA-N 432.593 1.399 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 25607040 UYSVRIMMTTWMRC-UHFFFAOYSA-N 446.529 1.394 0 40 IDAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 26096767 ZUEADKODKGGDGG-FQEVSTJZSA-N 440.529 1.426 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@@H]2C[C@@H](C)OC2=O)CC1 32736526 HJVPDWGWJKGTJQ-IUODEOHRSA-N 425.459 1.121 0 40 IDAB CC[C@@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 36228991 RMXBDFAGPSILAI-OCCSQVGLSA-N 432.926 1.869 0 40 IDAB Cc1ccc(CN2C[C@@H](C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2=O)cc1 40160176 SLWOFXCPNGVVFY-SFHVURJKSA-N 426.517 1.714 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc1 56997463 NBPZXQWFLZHEGX-UHFFFAOYSA-N 434.537 1.628 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)[C@H](CC(=O)OC)NC(C)=O)sc(CC)c1C 79023158 KHNKINUJMKGWCS-LBPRGKRZSA-N 442.490 1.345 0 40 IDAB C[C@@H](CNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1 79069541 LLFGYPFXQRQGRW-KBPBESRZSA-N 433.368 1.696 0 40 IDAB COCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(Br)ccc21 100872582 NEZFPJZOGXFWQU-VLGSPTGOSA-N 426.292 1.688 0 40 IDAB COc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@@H]32)c1 101169817 IYJXILDGYGPSBC-RTBURBONSA-N 439.428 1.644 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1F 206911414 JUHXAGALOZJXAE-UHFFFAOYSA-N 433.469 1.106 0 40 IDAB Cn1c(CCCC(=O)N2CC[C@@](C)(O)[C@H](n3ccc(O)nc3=O)C2)nc2ccccc21 257221236 DOBQNXXCCGKHPH-VGOFRKELSA-N 425.489 1.383 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2nc(O)c3c(n2)CN(S(C)(=O)=O)CC3)CC1 257239396 HPCLUUAFKRMJFX-CKEIUWERSA-N 438.550 1.369 0 40 IDAB C[C@]1(O)COC2(CCN(C(=O)c3cc4cccc(F)c4[nH]3)CC2)C[C@@H]1NS(C)(=O)=O 257302146 SBSFLLIYAWQUFM-LPHOPBHVSA-N 439.509 1.371 0 40 IDAB CCn1ccc(C(=O)N2CCC[C@@H](CC(=O)N3CCN(CCc4ccccn4)CC3)C2)n1 257339010 YZVOXWISYZQRDP-FQEVSTJZSA-N 438.576 1.927 0 40 IDAB Cc1nc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@@]42CCN(CC3CC3)C2)cs1 306131106 JWRMORQXHRUCAI-JOCHJYFZSA-N 425.558 1.964 0 40 IDAB Cc1nc(CCNC(=O)[C@H]2CN(Cc3cccc(OCCO)c3)CC23CCOCC3)no1 585102023 ZHIZAPQGIOMRGH-HXUWFJFHSA-N 444.532 1.337 0 40 IDAB CC(=O)N1CCN(Cc2cn[nH]c2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)C1 643913326 RBZHVHBETRNKKI-YPAWHYETSA-N 440.585 1.024 0 40 IDAB C[C@H](CN1CCOCC1)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1198421708 LLICGIGCDBMIEA-YLJYHZDGSA-N 426.399 1.995 0 40 IDAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]12 1549160830 HVBPHSZSJQAKAG-HXUWFJFHSA-N 427.501 1.865 0 40 IDAB CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCOCC3)CC2=O)cc1 9197238 ADNJPQSXQJBPMC-KRWDZBQOSA-N 437.562 1.709 0 40 IDAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O)c1cccs1 9349283 ILWCQKTVYUBISX-ZDUSSCGKSA-N 437.543 1.888 0 40 IDAB CC(C)c1nc(SCC(=O)Nc2ccc3c(c2)OCO3)c2c(=O)n(C)c(=O)n(C)c2n1 9382354 BKLIPRUMHBNOSH-UHFFFAOYSA-N 443.485 1.610 0 40 IDAB COC(=O)CNC(=O)CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)[nH]1 9410784 OZPISCZMVWKBCI-UHFFFAOYSA-N 426.501 1.538 0 40 IDAB CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)NCc2ccccc2)CO1 9435774 NXYAQDNPPOGDGQ-UHFFFAOYSA-N 443.525 1.385 0 40 IDAB COc1ccc(Cn2nnnc2SCCN2C(=O)c3ccccc3S2(=O)=O)cc1 9620439 IGEJHFWSLZTKNV-UHFFFAOYSA-N 431.499 1.667 0 40 IDAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccn1 9714980 BCAASXXBJBUQSM-UHFFFAOYSA-N 432.502 1.191 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@H](c2ccccc2[N+](=O)[O-])n2nnnc2N1 10231878 FRXCKPMQWNWTHG-KRWDZBQOSA-N 436.384 1.915 0 40 IDAB Cc1cccc(OC[C@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 10386223 QLUOCOAVABRVFQ-DLBZAZTESA-N 441.532 1.418 0 40 IDAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 11859310 ADLNUQOSPLGTCU-UHFFFAOYSA-N 449.554 1.572 0 40 IDAB O=C(c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl)N1CCN(c2ncccn2)CC1 12003516 HKZUOSWFYBNBRZ-UHFFFAOYSA-N 435.893 1.159 0 40 IDAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(C(=O)COc2ccc3c(c2)OCCO3)C1 12730165 FYAPZKICWZLPPC-GFCCVEGCSA-N 439.515 1.498 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@@H]([C@@H](C)O)N[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 15957052 JBPHKLSPHJFFQO-VRTBIJNHSA-N 449.507 1.613 0 40 IDAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C(=O)Cc4ccccc4)CC3)C2=O)cc1 18222861 RKMBMOXEBJUBMN-FQEVSTJZSA-N 435.480 1.492 0 40 IDAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C 18378290 HWOVHKYIBDYZBV-ZDUSSCGKSA-N 432.454 1.793 0 40 IDAB COC(C)(C)C(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 19693026 RQOBGRQFSJSCMQ-QGZVFWFLSA-N 427.505 1.633 0 40 IDAB C[C@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 21618732 WTLVSNYPAZDUKH-LURJTMIESA-N 429.289 1.379 0 40 IDAB Cc1ccc([C@H](CNC(=O)C(=O)NCCc2ccc(F)cc2)N2CCN(C)CC2)cc1 22796515 UMTDYRGOKZNMDN-QFIPXVFZSA-N 426.536 1.898 0 40 IDAB C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)C[C@H](C)O1 31713664 HXWRUWNZHLKBOQ-HOTGVXAUSA-N 449.573 1.615 0 40 IDAB COC(=O)[C@H](CCSC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 32100826 NEWLOATWEYPJGB-HNNXBMFYSA-N 433.527 1.136 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 35240682 YLHYANYZMMTHKC-UHFFFAOYSA-N 447.513 1.160 0 40 IDAB O=C(Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O)NCc1ccc(F)cc1 35425715 GGVJBDYXZMIGBW-UHFFFAOYSA-N 436.447 1.336 0 40 IDAB COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 35770660 IGAATKRTPSANQM-LSDHHAIUSA-N 446.554 1.851 0 40 IDAB Cn1cccc(C(=O)N2CCC(CNS(=O)(=O)c3c(F)cccc3F)CC2)c1=O 43959839 STFIMQAHRUOHGK-UHFFFAOYSA-N 425.457 1.494 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CNS(=O)(=O)C(C)C)C2)cc1 58229518 OIFQJJVKCKUNOD-INIZCTEOSA-N 445.607 1.553 0 40 IDAB COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4ccc(S(C)(=O)=O)cc4)C[C@H]32)cc1 67897238 UTFIWQAWQILULC-RTWAWAEBSA-N 430.526 1.711 0 40 IDAB biogenic,in-vitro C[C@H]1CN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cc(Cl)ccc2N3)C[C@@H](C)O1 72325979 QUKFNSMZKULVHM-QTCYRWPVSA-N 434.924 1.840 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 72373093 FJTKEDWHROHOEC-ROUUACIJSA-N 430.549 1.561 0 40 IDAB O=C1C[C@@H](C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CCN1 84405347 RQMIJJGHYNKKCX-ZDUSSCGKSA-N 431.470 1.723 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(CN(C)C)ccn1 95407223 UVJXTFDSSKPFSH-UHFFFAOYSA-N 434.518 1.425 0 40 IDAB CCc1nsc(N2CCN(C(=O)CN3CCc4cc(OC)c(OC)cc4C3)CC2)n1 95428365 ZWBRBQIQUFLRTB-UHFFFAOYSA-N 431.562 1.825 0 40 IDAB CCn1c(C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nn(CCOC)c1=O 96119164 ROHMYOHKQZPDRT-UHFFFAOYSA-N 434.971 1.994 0 40 IDAB COc1ccc(CCN2C[C@@]34CN(C(=O)c5cccnc5)C[C@@H](C[C@@H]3S2(=O)=O)O4)cc1 96146025 POVQPQWVFOLPTA-URVUXULASA-N 443.525 1.330 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222890620 XMFWQXHWPWFYDP-INIZCTEOSA-N 435.521 1.798 0 40 IDAB COc1nc(SC)ncc1/C=C1/SCCN1C(=O)C1CCN(S(C)(=O)=O)CC1 225238288 HOAHOXPOXSLEET-GXDHUFHOSA-N 444.604 1.753 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@H](Cn2nccn2)c2ccccc2)cc1 253398924 HVOULBICEZRTMX-GOSISDBHSA-N 425.470 1.651 0 40 IDAB CN1CCN(CCCNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3cccnc3N2)CC1 253596171 OBGJYBUURDAWIC-DDDCRWRYSA-N 440.592 1.513 0 40 IDAB Cn1nccc1C(=O)N1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccccn1)C2=O 306131507 KGWAXGQHJAUKSD-CVDCTZTESA-N 432.484 1.248 0 40 IDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(I)c3)C(=O)[C@H]12 409277507 AQRCUTRPJFKMNR-XJIUQZFPSA-N 439.205 1.667 0 40 IDAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)n2)n1 1775969765 KLPYQGINKLTQRG-UHFFFAOYSA-N 432.506 1.676 0 40 IDAB COc1cccc2c1O[C@@]13CCCC[C@@H]1[C@H]2[C@@H](S(=O)(=O)N1CCN(C)CC1)C(=O)N3 1888999955 CEWHUCYENCMFMD-GRVMKYMCSA-N 435.546 1.133 0 40 IDAB CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)CC1 2362803090 DANIYVQIRXOIKI-QGZVFWFLSA-N 428.489 1.505 0 40 IDAB Cc1ccnc2nc(C(=O)OCC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nn12 3444025 QLRBGWHBIVGAQP-UHFFFAOYSA-N 429.458 1.257 0 40 IDAB COc1ccc(NC(=O)COc2ccccc2C(=O)OCC(=O)NC(N)=O)cc1Cl 3572786 MHPDHLHREHXLGT-UHFFFAOYSA-N 435.820 1.718 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1ccsc1 8690429 INQAWBFDRFNGQV-UHFFFAOYSA-N 438.527 1.802 0 40 IDAB CC[C@@H](C)N(C(=O)COC(=O)c1cncc(Br)c1)[C@H]1CCS(=O)(=O)C1 8824620 YAARNNXVCJLYID-RISCZKNCSA-N 433.324 1.815 0 40 IDAB Cc1cc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)c2c3c(c(=O)oc2c1)CCC3 9045472 OSTSSHAHCYVZSY-HXUWFJFHSA-N 430.457 1.311 0 40 IDAB biogenic COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1 9661017 GMRQYAYRFAVGER-UHFFFAOYSA-N 443.481 1.669 0 40 IDAB CCOC(=O)C[C@@H](NC(=O)CSc1nnnn1-c1cccnc1)c1ccc(OC)cc1 10337210 HJJCFXXGJKSQKL-QGZVFWFLSA-N 442.501 1.969 0 40 IDAB Cc1cc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(F)c(F)c3)c(=O)[nH]2)no1 12033494 OWPDWLJDNWVMSW-UHFFFAOYSA-N 436.400 1.910 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc(F)cc3Cl)cs2)n(C)c1=O 12573155 MFAMOHGLQACJOQ-UHFFFAOYSA-N 448.867 1.988 0 40 IDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 12845462 BKCNTNBAXHERCZ-UHFFFAOYSA-N 437.543 1.107 0 40 IDAB C[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 13296289 ILHARJDHIPSJBM-WCQYABFASA-N 435.506 1.739 0 40 IDAB CN(Cc1ccsc1)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 14199494 QEQHXLHGLNHRKM-UHFFFAOYSA-N 437.543 1.669 0 40 IDAB NC(=O)COc1ccc(C(=O)N[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCC[C@H]2O)cc1 15671906 QMCGTYUPQQDHHH-RTBURBONSA-N 444.463 1.477 0 40 IDAB biogenic,in-vitro COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 15739224 BEQSADQMZMAUHK-UHFFFAOYSA-N 434.514 1.697 0 40 IDAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)nc12 19126956 SSBLRPFCDOIHAI-IBGZPJMESA-N 444.495 1.518 0 40 IDAB CC(=O)NCc1ccc([C@H]2CN(C(=O)CCn3ccnc3C)C[C@@H]2C(=O)N(C)C)cc1 19698779 YCOLAGJHBAHCNJ-RTWAWAEBSA-N 425.533 1.548 0 40 IDAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F)C(=O)OC 20724170 DZFMOJLTSIXPFE-KBXCAEBGSA-N 436.415 1.840 0 40 IDAB COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 22227786 GQEXYVCJHNSKFN-UHFFFAOYSA-N 440.543 1.237 0 40 IDAB O=C(NCCCCOc1ccc(F)cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23133625 PRXMYUZCAAUXGR-OAHLLOKOSA-N 425.482 1.266 0 40 IDAB O=C1[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 35843305 HUDGZKHOKLTZCH-JYISGYRJSA-N 435.411 1.986 0 40 IDAB CCCCn1c(=O)n(CC(=O)NCc2ccc(C)cc2)c(=O)c2c1nc(CO)n2CCC 38141157 LOIYLHFPBWBPMT-UHFFFAOYSA-N 441.532 1.687 0 40 IDAB C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)N[C@H]1CCS(=O)(=O)C1 39995752 SBMXHJUKBKKZGJ-HUBLWGQQSA-N 438.531 1.112 0 40 IDAB C[C@@H]1CN(c2ccc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)cc2F)C[C@@H](C)O1 48365460 DRYNGBVMQJKVJO-CHWSQXEVSA-N 441.463 1.637 0 40 IDAB CN1CCN(C(=O)c2ccc(C3CCN(C(=O)COC[C@@H]4CCCO4)CC3)nc2)CC1 72374411 TXJAONUBGDCQEB-FQEVSTJZSA-N 430.549 1.371 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc(C3CCN(Cc4ccc(F)cc4)CC3)[nH]c(=O)c2C1 72399026 FRCPJSDZYOUQCH-UHFFFAOYSA-N 449.552 1.453 0 40 IDAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-n4cncn4)nn3)cc2)n1 96097870 ZWTYYNAJBFCDCE-UHFFFAOYSA-N 437.445 1.209 0 40 IDAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)c2ccccc2O1 225873740 RQWAPRKPOSYXJS-FQEVSTJZSA-N 435.480 1.679 0 40 IDAB O=C1CCCN1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 257204140 ATEXILKYGSDYCD-FPOVZHCZSA-N 443.544 1.544 0 40 IDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@](Cc2cc(-c3ccc(F)cc3)no2)(C(N)=O)C1 257210553 BVDIOEDFCZQWGJ-HXUWFJFHSA-N 447.492 1.929 0 40 IDAB CNC(=O)c1sc2nccnc2c1C1CCN(C2CCN(S(C)(=O)=O)CC2)CC1 257251882 JSRIXKCIUDQOCA-UHFFFAOYSA-N 437.591 1.654 0 40 IDAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccnc(N2CCOCC2)c1 257285938 PJMNOUGRRHNABS-NRFANRHFSA-N 437.544 1.033 0 40 IDAB Cn1ccc(C(=O)N2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccc(F)cc2)C3=O)n1 306139040 SNRZBOCWAGGLHV-HYBUGGRVSA-N 449.486 1.992 0 40 IDAB O=C(NCc1ccc(F)cc1)c1nnc2n1CCN1CCN(C(=O)C3CC(F)C3)C[C@@H]21 585109901 JCMYCJIBBBSJSR-PREGVCBESA-N 430.459 1.294 0 40 IDAB COc1ccc(CCNC[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)cc1OC 585291018 ZJPBTCOVHZNDEY-UPVQGACJSA-N 428.529 1.403 0 40 IDAB O=C(Cc1ccccc1)N1CCC2(CCCCn3cc(nn3)COCCNC2=O)CC1 643564941 OLSCOJGJWRRVDN-UHFFFAOYSA-N 425.533 1.946 0 40 IDAB C[C@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)[C@H](O)c1c(Cl)cccc1Cl 1630183195 YRIWNRUSZIWSSC-RTHLEPHNSA-N 434.301 1.400 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)cn1C 1775968173 MCEVLDRDLIJVFE-UHFFFAOYSA-N 430.538 1.335 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccc(OC)c(F)c5)C[C@H]4C3)ncnc21 1888941911 XYGQRTRSAAPPCN-OKILXGFUSA-N 446.508 1.751 0 40 IDAB O=C(c1cc(C2CC2)on1)N1CCC2(CC1)O[C@@H](C(=O)N1CCOCC1)Cn1ccnc12 2055795724 LOASUECQPDFUPF-GOSISDBHSA-N 441.488 1.138 0 40 IDAB Cc1cc(C)n(-c2cc(N3CCN(CC(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)nc(C)n2)n1 2086889358 NKICTVANRHXPIQ-ROUUACIJSA-N 427.553 1.345 0 40 IDAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1C 3424120 MZTYBABVDVHHDR-AWEZNQCLSA-N 447.513 1.777 0 40 IDAB C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)C(=O)NC(N)=O 3481954 QNOMPZKWBDGUFX-LLVKDONJSA-N 439.877 1.559 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccccn1 8990727 SPKBNNIXTROIRP-HNNXBMFYSA-N 434.493 1.054 0 40 IDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 9245722 LRSLEAGQOVLPTI-HNNXBMFYSA-N 435.502 1.381 0 40 IDAB Cc1cc(NC(=O)CSc2nc(-c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)no1 9382383 XINLDHKLNNMJEL-UHFFFAOYSA-N 438.469 1.721 0 40 IDAB O=S(=O)(c1ccccc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 9708524 YIIZHWPNUNFABW-UHFFFAOYSA-N 428.557 1.950 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 9796964 CWBBZJIGNKOUCF-UHFFFAOYSA-N 444.557 1.889 0 40 IDAB O=C(NCCc1ccc(F)cc1)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 9806950 ISZXZASGKSFPMK-INIZCTEOSA-N 439.534 1.515 0 40 IDAB COc1ccc(C(=O)NCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1OC 10782342 PZQQVDGJICXLDV-UHFFFAOYSA-N 425.485 1.855 0 40 IDAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 12030320 QXUWKAGZQAZOEB-IBGZPJMESA-N 437.539 1.629 0 40 IDAB COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)n2N)c(OC)c1 12347803 SFDPLXQUMDOFKQ-UHFFFAOYSA-N 427.486 1.691 0 40 IDAB O=C(COc1ccc2c(c1)OCO2)N1CCN(C(=O)COc2ccc3c(c2)OCO3)CC1 12375184 ITIUYECQZBBJOV-UHFFFAOYSA-N 442.424 1.273 0 40 IDAB CC(=O)O[C@H]1C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H]3[C@H](C[C@@H](C)[C@@H]12)OC(=O)[C@H]3CN1CCCC1 12653145 MOYOJTXMWPQGBG-JNUAGQPNSA-N 437.533 1.530 0 40 IDAB biogenic O=S(=O)(Nc1ccn(-c2ccccc2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12771903 INUIJLONLNFAFP-UHFFFAOYSA-N 448.526 1.694 0 40 IDAB NS(=O)(=O)c1ccc(CCC(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 12912526 ZACRAUBBRSYGAU-UHFFFAOYSA-N 435.933 1.905 0 40 IDAB O=C([C@H]1CCCN1C(=O)c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1 13096702 SVXRKILLBQNBDE-QGZVFWFLSA-N 433.555 1.886 0 40 IDAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCN(C=O)CC3)Oc3ccccc32)cc1 13673273 HUHFHYCIABQHRV-HXUWFJFHSA-N 429.498 1.252 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1 15882788 FKRFVZUVFHDITO-UHFFFAOYSA-N 425.466 1.974 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 15970502 WDTCIIAPTUSGIT-PDFGSZSQSA-N 444.491 1.777 0 40 IDAB biogenic Cc1cc(C)n(CC(=O)N2CCC[C@H]2C(=O)c2cnn(-c3ccc(F)cc3)c2N)c(=O)n1 19572338 YTYYBLNBHTVTLT-SFHVURJKSA-N 438.463 1.641 0 40 IDAB CCn1cc(C(=O)N[C@H](C(=O)N2CCN(C)CC2)C(C)C)c(=O)c2cc3c(cc21)OCO3 20592230 YIWZTAJSJDAWDA-FQEVSTJZSA-N 442.516 1.279 0 40 IDAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O 32682429 FGEMDJHWMLCHNU-UHFFFAOYSA-N 429.477 1.360 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n(C)c1=O 33581266 WLHIIIFTYGUDSH-UHFFFAOYSA-N 429.440 1.616 0 40 IDAB O=C(c1ccccc1)N1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 36384131 DCRMAZQIEYXLMF-HXUWFJFHSA-N 433.574 1.403 0 40 IDAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 36398567 FXBRIWSYXNDEKC-MOPGFXCFSA-N 445.516 1.982 0 40 IDAB CC(=O)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)C(C)C 37178550 OYWFYLRHWOZESH-OAQYLSRUSA-N 437.606 1.956 0 40 IDAB CCOCc1nn2c(=O)cc(COC(=O)CNC(=O)c3ccc(Cl)cc3)nc2s1 41077328 XVTVBCLVKDWTDC-UHFFFAOYSA-N 436.877 1.814 0 40 IDAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 49523704 COMIWWUENHJXIJ-UHFFFAOYSA-N 448.545 1.072 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccc(F)cc3)CC1)n2Cc1ccccc1 56952593 GYLWYGGMIAUBHC-UHFFFAOYSA-N 448.502 1.933 0 40 IDAB Cc1csc(N2CCC(C(=O)N3CCN(c4nnnn4-c4ccccc4)CC3)CC2)n1 58159311 IGILOWDBFOBKOT-UHFFFAOYSA-N 438.561 1.992 0 40 IDAB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](CCO)c1ccccc1 78950385 CSTZRFODDBYJMV-NRFANRHFSA-N 447.557 1.702 0 40 IDAB COC(=O)C1=NN[C@H]2C(=O)N(c3ccc(Br)cc3Br)C(=O)[C@H]12 103129581 FPPTVAKOAVFKQV-DTWKUNHWSA-N 431.040 1.202 0 40 IDAB COc1ccccc1OCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 224341863 RPYJZYNTYMSQPX-UHFFFAOYSA-N 425.482 1.642 0 40 IDAB CCc1nc2ccccc2n1CCC(=O)N[C@H]1CCC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257221559 DPOSOPVPDUBFPH-WJPUGNRLSA-N 448.531 1.982 0 40 IDAB O=C(NCCN1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 408614986 KLMQJPOSZBXPGJ-SFHVURJKSA-N 436.512 1.740 0 40 IDAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)N[C@H](CC1CC1)C(=O)O 554289828 KEGUOOQSUSEYGJ-TZIWHRDSSA-N 435.480 1.869 0 40 IDAB COc1ccc(OC)c(-c2cc(C(=O)NCc3nc(N(C)C)nc(N(C)C)n3)n(C)n2)c1 575608871 YWDSTGIZPGGHEH-UHFFFAOYSA-N 440.508 1.351 0 40 IDAB CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc(Br)cc3nc(O)[nH]c23)CC1 646639917 JFIKYAGOUDGXNO-NSHDSACASA-N 438.326 1.704 0 40 IDAB O=S1(=O)N=C(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c2ccccc21 917080904 NSWSKHNLXSUYRQ-UHFFFAOYSA-N 437.407 1.414 0 40 IDAB Cn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cccc(Cl)c5)C[C@@H]4C3)ncnc21 1888930399 FZAUFQSCQMJVRQ-GJZGRUSLSA-N 432.937 1.915 0 40 IDAB CC(C)n1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2c1c(=O)n(C)c(=O)n2C 932575 XIKOEDAORFAWAY-UHFFFAOYSA-N 430.534 1.811 0 40 IDAB Cn1c(=O)c2c(nc(NCc3ccc4c(c3)OCO4)n2Cc2ccccc2F)n(C)c1=O 2345333 GIBLGVWWFIPENH-UHFFFAOYSA-N 437.431 1.962 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCC(C)C)ccc1F 3027819 LEIQXUJZMHINHX-KRWDZBQOSA-N 429.514 1.150 0 40 IDAB COc1ccc(N(CC(F)(F)F)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 8720032 HTUNCHRXDLPHJR-UHFFFAOYSA-N 425.367 1.038 0 40 IDAB COc1cccc(-n2cnnc2SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)c1 9117654 GHNKGIPRSHPTHA-UHFFFAOYSA-N 429.502 1.556 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 9806179 HRPWDFRNWDNAHM-GOSISDBHSA-N 433.505 1.720 0 40 IDAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccn2)CS(=O)(=O)C3)c(C)c1 10250626 CYTULGSEKWQKHK-UHFFFAOYSA-N 439.497 1.567 0 40 IDAB CCc1nc(SCC(=O)Nc2cc(OC)ccc2OC)c2c(=O)n(C)c(=O)n(C)c2n1 11758071 VYOURWGVEZQTQH-UHFFFAOYSA-N 445.501 1.338 0 40 IDAB COc1ccccc1CNS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C 11904729 LTPDVXCHDXZNIT-UHFFFAOYSA-N 438.527 1.857 0 40 IDAB COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 12029483 BYLWECWSPSSSNL-IBGZPJMESA-N 437.539 1.629 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 12804202 LZQXPEKVQAUEAK-CABCVRRESA-N 445.497 1.566 0 40 IDAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 13164272 CMQWLFJFEOBVBR-LJQANCHMSA-N 447.513 1.222 0 40 IDAB CCOc1ccc(N2C[C@@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 13517710 GDWCODHXHNODCL-INIZCTEOSA-N 431.514 1.445 0 40 IDAB COc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1 13566666 JJYHGADSABNTPY-CYBMUJFWSA-N 432.502 1.679 0 40 IDAB CC1CCN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)Nc4nncs4)CC3=O)cc2)CC1 13941738 CVNANKLMSNQUJF-CQSZACIVSA-N 449.558 1.950 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 15959502 BDRXNLLNSXNAAR-PZYYBCBPSA-N 449.463 1.025 0 40 IDAB CSc1nc2nc(C)c(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)c(C)n2n1 17114864 IYJWWXRWQICZCM-UHFFFAOYSA-N 431.522 1.682 0 40 IDAB CC1CCN(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 17179764 WXTPTWYKZVNJQD-MRXNPFEDSA-N 426.608 1.757 0 40 IDAB Cc1ccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1C 18208969 NUYSXOUKGBPWJW-UHFFFAOYSA-N 431.558 1.947 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)NCc3ccc(C)o3)CC1)CNC2=O 19216649 CWMXSWCQHVKDIK-HSZRJFAPSA-N 441.484 1.787 0 40 IDAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CCn3cc(C)cn3)[nH]c2=O)C1 19499108 RPTUACHNPHTKBW-GOSISDBHSA-N 426.521 1.713 0 40 IDAB O=C(Cn1cc(C(=O)N2CCC[C@@H](CN3CCCC3)C2)ccc1=O)Nc1nccs1 19751019 UGXXKDLDXPMFGZ-INIZCTEOSA-N 429.546 1.892 0 40 IDAB CNc1nc(C)c(C(=O)N2CC[C@@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)s1 19757668 HCGZIBDYEJETCX-CQSZACIVSA-N 430.534 1.694 0 40 IDAB CCOc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(CCO)CC2)cc1OC 22626949 BLUQLBUVPAPJAA-SFHVURJKSA-N 447.561 1.911 0 40 IDAB Cc1cccc(N2CCN(C(=O)CN3CCCN(CC(=O)NC(C)(C)C)CC3)CC2)c1C 22809121 QMCZTANYYHSNJK-UHFFFAOYSA-N 443.636 1.874 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 32910281 NSSIBTGEAWJYKJ-AWEZNQCLSA-N 440.518 1.284 0 40 IDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCN(C(=O)c4ccccc4F)CC3)cnc21 32926451 MATCQKGTUMHWDJ-UHFFFAOYSA-N 439.447 1.278 0 40 IDAB CN(CC(=O)NCc1ccco1)C(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O 32988629 VQZNQIDHZUAYSY-HXUWFJFHSA-N 430.486 1.358 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)CC1 36679015 SXOKZNYTSVPNKJ-UHFFFAOYSA-N 445.545 1.590 0 40 IDAB O=C(NCCS(=O)(=O)c1ccccc1)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F 48236522 ABGFLUKDUXDDMH-UHFFFAOYSA-N 441.391 1.590 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)Nc2cccnc2)CC1 56938983 MRJVCDXXWGTJOY-GOSISDBHSA-N 432.550 1.015 0 40 IDAB CN(C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C1CCCCC1 57994068 NEOJTQLUYNTZJY-UHFFFAOYSA-N 444.575 1.841 0 40 IDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 58157743 ZFMDUZZHUPFPMG-HNNXBMFYSA-N 430.552 1.017 0 40 IDAB COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCN(c2ncccn2)CC1)C(=O)O 72404627 ZUUUAMOVBGDOSZ-ZDUSSCGKSA-N 433.490 1.176 0 40 IDAB CC[C@@H](O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 95461722 DVFNVZLXBWZKJK-LLVKDONJSA-N 425.334 1.857 0 40 IDAB CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccccn3)cn12 96156687 FYTYZBNYDCOSKO-GOSISDBHSA-N 429.488 1.337 0 40 IDAB Cn1ccc(C(=O)N2C[C@@H](c3ccnn3C)[C@@]3(CCCN(Cc4ccncc4)C3=O)C2)n1 306123882 AZLIILBLWRDGMV-FDDCHVKYSA-N 433.516 1.597 0 40 IDAB COc1ccc(CN2CC[C@]3(Cc4nn(Cc5ccc(OC)cc5)c(=O)c(=O)n4C3)C2)cc1 306136599 PXUCPSKWANRINO-VWLOTQADSA-N 448.523 1.919 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)cc(C)c1C 1615547360 HRVMITDBZDDDQS-JKSUJKDBSA-N 441.550 1.576 0 40 IDAB COc1cc(=O)n(C)cc1C(=O)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1888918268 ZBECVVVIVOCADO-UHFFFAOYSA-N 426.448 1.795 0 40 IDAB Cc1ccc(C(=O)NC[C@H]2OC[C@@H](n3ccc(O)nc3=O)[C@@H]3OC(C)(C)O[C@@H]32)cc1C 2037977951 ZUDIWZLZTJXXIG-ZAWLATJESA-N 429.473 1.456 0 40 IDAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3414547 KXHGSUGAWDBHEL-OAHLLOKOSA-N 447.513 1.918 0 40 IDAB O=c1ccc(=O)n(-c2ccccc2)n1CCCCn1c(=O)ccc(=O)n1-c1ccccc1 3851414 MEQWLDHGSUMCDX-UHFFFAOYSA-N 430.464 1.792 0 40 IDAB biogenic Cc1c(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8764288 CVATZHPMBPCGPH-CVEARBPZSA-N 435.498 1.022 0 40 IDAB biogenic Nc1nc(SCC(=O)NC[C@H]2CCCO2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 12033487 MOJHSHBPFMDQOB-SNVBAGLBSA-N 439.444 1.270 0 40 IDAB COc1cc(OC)c(OC)cc1CNC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 12543719 HPDFHIPXTSFWGE-ZDUSSCGKSA-N 449.529 1.427 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N=c3[nH]c4ccccc4[nH]3)CC2)cc1 13690382 DIESKLLIKAOKOR-UHFFFAOYSA-N 441.513 1.983 0 40 IDAB CC(C)Cn1c(N)c(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CC2)c(=O)n(C)c1=O 14019098 WHXHTFOKICXKLP-UHFFFAOYSA-N 433.892 1.896 0 40 IDAB O=C1c2ccccc2C(=O)N1CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19078868 UTKXGOMHSXGZNW-UHFFFAOYSA-N 443.510 1.251 0 40 IDAB COc1ccc(CN2CCc3c(O)nc([C@@H]4CCN(S(=O)(=O)N(C)C)C4)nc3C2)cc1 19583648 YFNPVXJCRUDLKM-MRXNPFEDSA-N 447.561 1.345 0 40 IDAB CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1C[C@H](O)COc1ccc(C)cc1 20480205 YFBXTOQVSDKXQD-INIZCTEOSA-N 444.536 1.338 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 32721929 NHTHRMYCRVBQRK-UHFFFAOYSA-N 430.486 1.840 0 40 IDAB CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 32745192 ICYQXAQDRNXMRZ-UHFFFAOYSA-N 442.516 1.653 0 40 IDAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 35336603 FNOHIPLXBZYQAQ-UHFFFAOYSA-N 426.517 1.836 0 40 IDAB O=C1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)c2c(nc(N3CCOCC3)[nH]c2=O)N1 38828142 KEELZJHMJKTDQN-JTQLQIEISA-N 437.378 1.690 0 40 IDAB O=C1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 38828146 VZMZONQUFBWZDV-JTQLQIEISA-N 438.271 1.978 0 40 IDAB CCOc1ccccc1CN(C[C@H](C)O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 40138949 QUYNDNAOGSDYSW-INIZCTEOSA-N 435.546 1.868 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)c(OC)c1 40284024 VYYZAMYHUHPMEK-MRXNPFEDSA-N 438.550 1.164 0 40 IDAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)n1 48313838 MIOQXXVEFZGAOS-CYBMUJFWSA-N 426.564 1.648 0 40 IDAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)CCN2CCCC2)CC1 72335906 KSLFATYBLMAABJ-UHFFFAOYSA-N 435.594 1.672 0 40 IDAB NC(=O)COC1CN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)C1 78998784 AUBXWJQCKJZEKC-UHFFFAOYSA-N 439.541 1.881 0 40 IDAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@H](c1ccccc1)N1CCC(O)CC1 95348899 FWNXBCOPSLSZKY-QFIPXVFZSA-N 443.569 1.693 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225436995 IVAHPNUGRSPCDD-AWEZNQCLSA-N 447.488 1.524 0 40 IDAB CN1CCN(c2ccc(NC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 225476989 CGVJPKIOKLQKAV-UHFFFAOYSA-N 434.537 1.978 0 40 IDAB COc1ccc(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1NC(C)=O 575425956 JQMRVHZHULUMNF-AWEZNQCLSA-N 442.515 1.625 0 40 IDAB COc1ccc(Cn2nc3n(c(=O)c2=O)CC2(CCN(C(=O)c4cc[nH]c4)CC2)C3)cc1 585105963 FESOQMVQGXTYKI-UHFFFAOYSA-N 435.484 1.269 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 8723776 PEIJFJBVRAJPFY-SOUVJXGZSA-N 430.457 1.874 0 40 IDAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4cccc(OC)c4)c(C)c(C)n23)n(C)c1=O 9149877 MUGCXCGZGJOKBX-UHFFFAOYSA-N 439.472 1.717 0 40 IDAB CC(C)CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1 9577656 FPULOGSZHYOEHJ-MRXNPFEDSA-N 431.942 1.356 0 40 IDAB C[C@H](C(=O)N[C@@H]1CN2CCC1CC2)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 12085993 AXRNCBUBDSKAOW-ZOUOIUENSA-N 425.533 1.150 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)c1 12582247 TUDSQVSFYXACCF-VQHVLOKHSA-N 432.454 1.861 0 40 IDAB COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)cc1S(N)(=O)=O 12683177 NTKXKSWNOUPIMF-UHFFFAOYSA-N 434.503 1.264 0 40 IDAB CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 13085201 ASMXWVCLUYUFNS-NRFANRHFSA-N 447.532 1.842 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1nc2nc(C)cc(C)n2n1 14122174 ARBBLNQLVVSVLL-UHFFFAOYSA-N 446.489 1.023 0 40 IDAB O=C([C@@H]1CN(C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c2ccccc2O1)N1CCCCC1 14237592 PVBKNBIQVOWWMZ-FQEVSTJZSA-N 448.479 1.497 0 40 IDAB C[C@@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C)N1C(=O)c2ccccc2C1=O 18764656 FDHCCEMIZGOBHX-KGLIPLIRSA-N 435.436 1.978 0 40 IDAB Cc1nc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)nc2c1CCC(=O)N2CC1CC1 19741433 HLMIEKNUUPEZEL-KRWDZBQOSA-N 433.578 1.994 0 40 IDAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(Cc4ccccc4)CC3)N2)cc1 19928964 JWLWLDDLBLYHFM-NRFANRHFSA-N 433.512 1.890 0 40 IDAB Cc1cc(C(=O)COC(=O)Cn2cnnn2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 20920465 FMDRSASNCAUUFH-UHFFFAOYSA-N 449.471 1.305 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)Nc4cc(F)ccc4F)c(=O)c3s2)CC1 21886424 BHMRRRYLGGXGTR-UHFFFAOYSA-N 434.472 1.912 0 40 IDAB COc1cc([C@H](c2sc3ncnn3c2O)N2CCC(C(N)=O)CC2)cc(OC)c1OC 22609971 IVFCISINEOTHNH-OAHLLOKOSA-N 447.517 1.809 0 40 IDAB CCN1CCN(c2ccc(NC(=O)CN3CCN(Cc4cc(C)on4)CC3)cc2)CC1 22776226 YOXANWHMGBOTFE-UHFFFAOYSA-N 426.565 1.881 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 23956447 RBKMEKWUVYUCAV-UHFFFAOYSA-N 431.558 1.541 0 40 IDAB CN(Cc1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 31772774 RQSCNBKTKGAAHW-SFHVURJKSA-N 443.568 1.468 0 40 IDAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)N(CC)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 32957428 VVAMHQNBZJHTTG-WMZOPIPTSA-N 436.530 1.181 0 40 IDAB O=C(CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)NCc1ccc2c(c1)OCO2 35380330 DLRVXJJAOOGHSS-OAQYLSRUSA-N 439.468 1.016 0 40 IDAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 40154126 SXCVHFRHOGXAJN-MRXNPFEDSA-N 441.893 1.253 0 40 IDAB COc1ccccc1N1CCN(C(=O)COc2coc(CN3CCOCC3)cc2=O)CC1 49549378 HKUZAZZXYDMFLA-UHFFFAOYSA-N 443.500 1.208 0 40 IDAB COc1ccc(-c2nc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)n[nH]2)cc1 83950115 RYYXWNLILZYTLC-MPGHIAIKSA-N 430.534 1.822 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(CO)CC3)CC2)cc1 95430116 YKPNMXSGMLCGJM-UHFFFAOYSA-N 438.546 1.495 0 40 IDAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nn(C)cc2C(=O)OCC)cc1F 95995675 BDXNHWBOLBPGSB-UHFFFAOYSA-N 448.498 1.688 0 40 IDAB COc1ccc2c(c1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C[C@]1(CCCN(C)CC1)O2 248026116 LSXQDBKTSFAPEQ-HTAPYJJXSA-N 430.505 1.259 0 40 IDAB CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(c4cc5nc(C)cc(O)n5n4)CC2)[C@H]3C1=O 253600312 NIENPJNOIYYWJU-KNLNXMFASA-N 437.500 1.251 0 40 IDAB Cc1cc(C)c2[nH]c(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cc(C)c(O)nc4=O)C3)nc2c1 257270421 MUDPNACOXRBRBU-UZUQRXQVSA-N 439.516 1.908 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3cc(-c4ccc(C)cc4)on3)[C@H]2O)CC1 257270813 MVTLVKGVTZIPMO-SYYKKAFVSA-N 426.517 1.826 0 40 IDAB CN1CCN([C@H]2CCN(Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]2O)CC1 257330232 XNMIQMGJARWXBL-SFTDATJTSA-N 432.609 1.421 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1)c1ccccc1 408590057 GUNBIFAPAFNSSO-GOSISDBHSA-N 447.557 1.553 0 40 IDAB Cn1cc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)cn1 575614900 AJNICTZRFWTUSK-UHFFFAOYSA-N 441.513 1.433 0 40 IDAB Cc1nc(N2CCOCC2)cc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)n1 2086889471 GMQVWHQYCTWMKQ-UHFFFAOYSA-N 436.516 1.040 0 40 IDAB COc1ccc2c(C)c(CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c1C 2097987 NFJJOJBDOUCKFD-HNNXBMFYSA-N 433.461 1.369 0 40 IDAB biogenic COc1ccccc1-n1cnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 3397661 MVGFFTGYGMBLIS-UHFFFAOYSA-N 427.486 1.946 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)Nc2ccc(F)cc2F)CC1 8724183 YHUNOXCBKABOGV-UHFFFAOYSA-N 428.461 1.905 0 40 IDAB C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC1CCCCCC1 9050206 WQHKAAHATGKHJT-ACJLOTCBSA-N 446.953 1.750 0 40 IDAB C[C@H](OC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)NCc1ccc2c(c1)OCO2 9161856 CNAZYGMDGCHVOP-BPUTZDHNSA-N 430.457 1.529 0 40 IDAB O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Cl)cc1 9600441 JWQNNDOKCKNIHN-KRWDZBQOSA-N 437.905 1.120 0 40 IDAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n(C)c1=O 9635245 UZOVJEUBOMALBN-UHFFFAOYSA-N 439.472 1.894 0 40 IDAB Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 9637847 JCGIJCYMHFIDLQ-HXUWFJFHSA-N 440.525 1.960 0 40 IDAB Cc1nccn1CC1(O)CCN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 12143547 DUJUAPFFOZAWHH-UHFFFAOYSA-N 432.546 1.571 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 12980743 OSWYMHGVXWEWPV-NRFANRHFSA-N 429.498 1.709 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)c3ccc[nH]3)CC2)cc1 13097180 UPXCEPPAZIFQQU-UHFFFAOYSA-N 447.513 1.362 0 40 IDAB COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(I)c2)CC1 13672660 XIUZPTIORKGOCE-UHFFFAOYSA-N 439.271 1.874 0 40 IDAB CCCN1CCN(C(=O)c2n[nH]c(=O)[nH]2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19502795 DOQSHAIQZYYZTG-LJQANCHMSA-N 434.500 1.713 0 40 IDAB CCOc1cc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)ccc1OCC(N)=O 19532209 NWLYQQYBXLIAQX-UHFFFAOYSA-N 435.484 1.653 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)COc3ccccc3)C1)C2=O 19699618 DMELUWWZQNTGSW-QGZVFWFLSA-N 442.516 1.379 0 40 IDAB CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4ccnn4C)CCO3)nc3ccccc23)CC1 19759667 KGUWUGPRPIZDCT-QFIPXVFZSA-N 448.527 1.570 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 19960819 LDYIHPBPQXJLCA-KTIHBUSBSA-N 433.464 1.281 0 40 IDAB O=C1C[C@@H](C(=O)Nc2ccc(Br)cc2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 19961011 LLPUDVDNJZMTPS-GFCCVEGCSA-N 448.277 1.434 0 40 IDAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 23107264 NOBJTEMIQJLOKS-SFHVURJKSA-N 429.448 1.725 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 24395953 KIJJFKHQAGEFJZ-HNNXBMFYSA-N 431.518 1.862 0 40 IDAB CCOC(=O)C1=C(CN2Cc3ccccc3C[C@@H]2C(=O)NC)NC(=O)N[C@@H]1c1ccco1 26917323 LDAZPUDDUJMEIJ-YLJYHZDGSA-N 438.484 1.624 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3Cl)CC2)C[C@H](C)O1 30665013 HWOPTVZKEPNWLU-HOTGVXAUSA-N 429.970 1.771 0 40 IDAB CCc1nn2c(=O)cc(COC(=O)CCN3C(=O)[C@@H](C)Oc4ccccc43)nc2s1 32842862 JGODZXRDMSPFKW-GFCCVEGCSA-N 428.470 1.961 0 40 IDAB C[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 48302494 KULHQTZOBFRAEZ-TZMCWYRMSA-N 437.616 1.987 0 40 IDAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ncccn4)CC3)nc2N)cc1 67336341 MGUAFNSHYZSLLP-UHFFFAOYSA-N 427.490 1.017 0 40 IDAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2ccc(Br)cc2)N(C)S(=O)(=O)N1 72335132 RTOLRMDBMARRNA-CABCVRRESA-N 442.339 1.709 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC[C@@H]3COCC[C@@H]32)c1 95415668 POHXRZKVUVEXIM-MJGOQNOKSA-N 437.562 1.474 0 40 IDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCC(n2nnc(-c3ccccc3)n2)CC1 100164478 YUQSIJDQJQIMGV-CPLUKWAASA-N 434.500 1.535 0 40 IDAB COCCN1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 103515214 CBFVFKZESBYWGA-MMMWYMCRSA-N 434.290 1.322 0 40 IDAB CCCn1c(C(=O)NCCCc2cnc3cc(C)nn3c2)cc2c(=O)n(C)c(=O)n(C)c21 206821684 BHAKIPLFOIVUFV-UHFFFAOYSA-N 437.504 1.162 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCSc2ncn[nH]2)c(C)c1 222817274 NWJSZCQJRUSYQR-UHFFFAOYSA-N 427.552 1.431 0 40 IDAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223084772 FNHZKVXJZJGJEZ-SFHVURJKSA-N 443.525 1.693 0 40 IDAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(F)c3)C2)C(=O)N1Cc1ccccc1F 225390372 OKOYLOIRXLFNEW-QUCCMNQESA-N 427.451 1.523 0 40 IDAB biogenic,in-vitro O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225560545 JRHDERULZXODJL-UHFFFAOYSA-N 426.498 1.823 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225758204 QKYCNLZBMNBLIT-UHFFFAOYSA-N 437.493 1.602 0 40 IDAB C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]21C[C@H]2C(=O)N(C)[C@@H](O1)c1nc3ccccc3c(=O)n12 247722440 BOZGEGDMHAOPIQ-JBGRHRSXSA-N 443.463 1.388 0 40 IDAB biogenic,in-vitro COc1ccc(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1OC 260901788 OACLWMQIYGHVNC-HNNXBMFYSA-N 436.486 1.426 0 40 IDAB CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccn(C)n2)C1 1710347735 TXGQTLFBKJVIPQ-SFHVURJKSA-N 445.549 1.254 0 40 IDAB O=C(O)CC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 2130454 OECOESKZBWEZIY-YQYRJILISA-N 425.485 1.995 0 40 IDAB biogenic COc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 8774374 WTIRRIWKSKGDGD-UHFFFAOYSA-N 447.440 1.886 0 40 IDAB O=C(NCCCn1ccnc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9060291 QDSJOWQQDIYOIH-CQSZACIVSA-N 434.547 1.495 0 40 IDAB C[C@@H](OC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)NC(N)=O 9128081 MOISFOHIXXWXFP-LLVKDONJSA-N 445.453 1.886 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 9634472 KROVWLINAALASH-CSKARUKUSA-N 435.458 1.047 0 40 IDAB O=C(NCCc1ccc(F)cc1)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 9806943 ISZXZASGKSFPMK-MRXNPFEDSA-N 439.534 1.515 0 40 IDAB COc1cccc(-n2nnc3c(=O)n(CC(=O)Nc4cc(OC)ccc4OC)cnc32)c1 9857646 ZMQGDCHQMYYKEW-UHFFFAOYSA-N 436.428 1.642 0 40 IDAB CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(OC)cc1 10385382 QKLSRVKWTVAMDZ-CQSZACIVSA-N 431.493 1.474 0 40 IDAB CC[C@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 10385987 UKPQUWANMCBFBY-GXTWGEPZSA-N 435.912 1.737 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(CS(N)(=O)=O)cc1 10707143 IRUJQZJZVTZOGL-UHFFFAOYSA-N 426.498 1.777 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c2ccccc21 10750822 FYYQZPHYSJNRDB-UHFFFAOYSA-N 446.504 1.495 0 40 IDAB O=C1CC[C@H](C(=O)Nc2nc(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cs2)N1 12422853 CDGLLKFDZOFAQO-MRXNPFEDSA-N 431.493 1.391 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccccc3)CC2)c1 12752902 RUIFRPPJYGQCTG-UHFFFAOYSA-N 444.557 1.636 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)[C@@H](C)O)CC1 12865795 NXADUFFZUKDORH-VDERGJSUSA-N 443.541 1.115 0 40 IDAB biogenic CC1CCN(CCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 13648506 ASAAXWAXRCEPEK-QGZVFWFLSA-N 439.578 1.851 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)c1 14162561 SKQLOPIBRLQOME-MRXNPFEDSA-N 428.507 1.250 0 40 IDAB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1ccccc1F 15823690 WDNUTSPLJWVYSR-UHFFFAOYSA-N 432.521 1.934 0 40 IDAB COCCOc1cc(CN2CCc3nc(N4CCOCC4)nc(O)c3CC2)ccc1OC 19593627 SKQGHWRBDPYPTI-UHFFFAOYSA-N 444.532 1.653 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CN3CCCCC3)C1)C2=O 19699581 MHKKCDIKTGTGDU-SFHVURJKSA-N 447.580 1.032 0 40 IDAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699684 OCQYMRDGXYHQQN-BHIYHBOVSA-N 438.528 1.860 0 40 IDAB CN(c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1)S(C)(=O)=O 19867482 ONZZKQLUOYTHEO-UHFFFAOYSA-N 440.547 1.577 0 40 IDAB Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)Nc1ccccc1C(F)(F)F)CC(=O)N2 20800036 UTTRHOVYRBLUFA-SNVBAGLBSA-N 436.394 1.979 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCN(C)Cc2ccccc2)c1 21938970 NLUONBPWLOLKOY-UHFFFAOYSA-N 448.589 1.517 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 24894913 ATYDJSDOHGAFPF-NRFANRHFSA-N 445.497 1.546 0 40 IDAB Cc1cc(NC(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(Cc3ccccc3)c2=O)no1 38140713 XUAUSSMPOJGPPG-UHFFFAOYSA-N 436.472 1.999 0 40 IDAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 38680424 UKTATOMKTNGNAS-UHFFFAOYSA-N 441.509 1.795 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)c1 40150298 SQGHIZKDLIMTMR-UHFFFAOYSA-N 433.537 1.192 0 40 IDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O 71283035 OVCSWYCEZMJJCY-FQEVSTJZSA-N 439.443 1.959 0 40 IDAB NS(=O)(=O)c1ccc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1 77196650 KFVCZUXJTCDQHC-UHFFFAOYSA-N 439.501 1.098 0 40 IDAB CCOC[C@@H](C(=O)OC)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 84801145 GDTMFZZBEQNUOV-SFHVURJKSA-N 426.535 1.432 0 40 IDAB O=C(O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCC3CC3)CC2)o1 95970468 PUOQWTKLOARLCI-UHFFFAOYSA-N 434.470 1.913 0 40 IDAB CC(C)CNC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 96145920 JYPMDVRHNSEYIV-ROUUACIJSA-N 438.594 1.830 0 40 IDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 101012151 KLRWODOACYEKKV-MWLCHTKSSA-N 442.169 1.065 0 40 IDAB COC(=O)c1ccccc1N1C(=O)[C@H]2SC(N)=C3C(=O)Oc4ccccc4[C@@H]3[C@@H]2C1=O 101374872 VDJYLKBQDGNOHS-VYDXJSESSA-N 436.445 1.951 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc(OC)c3OCC(N)=O)C2=O)o1 107609727 SFADHRXXLVEIRV-MDWZMJQESA-N 429.385 1.032 0 40 IDAB O=C(O)c1cnc([C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)[nH]c1=O 224969111 RVLIMVBYGUIVRG-JTQLQIEISA-N 442.291 1.799 0 40 IDAB Cn1cnc(S(=O)(=O)N2CCCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1 238831065 FXGHNASYIFDUBS-UHFFFAOYSA-N 432.424 1.856 0 40 IDAB COc1cc(CCC(=O)N2CCO[C@](COc3ccc(Cl)cc3)(CC(N)=O)C2)on1 585283246 CPXXKKLSJNTFCC-HXUWFJFHSA-N 437.880 1.821 0 40 IDAB COCC(=O)N1CCN(CC2(O)CCCC2)C[C@](O)(COc2cccc(F)c2F)C1 585285052 BXEQXJAKMQKZGH-OAQYLSRUSA-N 428.476 1.170 0 40 IDAB Cc1nc(CN2CCO[C@H]3CN(S(=O)(=O)c4ccc5c(c4)OCCO5)C[C@@H]32)cs1 2056224633 MVTABZAIMRJYSE-LPHOPBHVSA-N 437.543 1.497 0 40 IDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3397617 FSCUIFYGXQKZEN-IBGZPJMESA-N 437.452 1.803 0 40 IDAB O=C(NCc1cccs1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 8830353 SCQMADNEAMOKTQ-MRXNPFEDSA-N 441.506 1.057 0 40 IDAB C[C@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl 8934144 FZBQMZYVMCIGLY-SNVBAGLBSA-N 426.304 1.972 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(c3ncccn3)CC2)cc1 9487053 ZTXOXNSWVVWMBN-UHFFFAOYSA-N 445.545 1.429 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 10288510 YBMJTVHFCRVSBW-UHFFFAOYSA-N 440.543 1.707 0 40 IDAB C[C@H]1CN(C(=O)CN2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc3C2=O)C[C@@H](C)O1 12086706 QQRNJFYYRKHADD-SAHWJRBASA-N 429.517 1.538 0 40 IDAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 12631009 ZKZLUTJXPWOQOU-UHFFFAOYSA-N 439.468 1.358 0 40 IDAB CN(C)S(=O)(=O)c1cccc(COC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 12791837 LFKXOQUCXZBZDX-UHFFFAOYSA-N 437.518 1.625 0 40 IDAB CCCCN(C(=O)Cn1c(=O)cnc2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O 12879682 MSNYCYYPNJOVOC-UHFFFAOYSA-N 440.504 1.462 0 40 IDAB CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CC(=O)Nc2ccccc21)C(=O)O 12889738 SCTNXQKCTLSROG-GJZGRUSLSA-N 436.534 1.892 0 40 IDAB biogenic COc1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 13013945 WMYGTBXWZFVIBB-UHFFFAOYSA-N 433.530 1.440 0 40 IDAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C[C@H]3CCCO3)cc2c1 13510360 RARKABHZWWBVBD-LJQANCHMSA-N 442.520 1.477 0 40 IDAB CC(C)NC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCCN3CCOCC3)cc2)C1 15671977 PTWNQEODABQRRM-NHCUHLMSSA-N 448.564 1.071 0 40 IDAB biogenic,in-vitro O=C([C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 16047041 HVGCHQBBFFJQDD-YOEHRIQHSA-N 439.434 1.908 0 40 IDAB CC(=O)Nc1ccc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@H]1CN(Cc3ccccc3)CCN21 18113426 KQQVTBQWVMRKSI-HXUWFJFHSA-N 447.495 1.244 0 40 IDAB CCN1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527488 ACLUCOCTJTZQHQ-OAQYLSRUSA-N 448.523 1.755 0 40 IDAB COc1ccccc1CNC(=O)c1cc(C2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)no1 19587181 GEFAEFIUEUOJKD-KRWDZBQOSA-N 440.500 1.798 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@@H]3CC=CCC3)CC1)C2=O 19699377 KFDMDFFPDZJKNC-QGZVFWFLSA-N 430.549 1.903 0 40 IDAB C[C@H](OC(=O)CNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 20883738 DHAJOSCFOVHWHK-LBPRGKRZSA-N 445.453 1.067 0 40 IDAB CCc1nn2c(=O)cc(COC(=O)CCNC(=O)CCC(=O)c3cccs3)nc2s1 21732073 UFPPXUVORYZWSV-UHFFFAOYSA-N 448.526 1.988 0 40 IDAB C[C@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 22228320 QWLZGMRASDOIQK-KRWDZBQOSA-N 445.541 1.244 0 40 IDAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c32)cc1 22610392 MVQDKMSEDZSPSD-OAHLLOKOSA-N 438.488 1.099 0 40 IDAB C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)N1CCNC1=O 23277542 SBKUMHMDJVVRGV-JTQLQIEISA-N 431.898 1.514 0 40 IDAB CN(C)S(=O)(=O)c1ccc(SCC(=O)NC(=O)NCCc2cccs2)nc1 26173163 ZVAUCVUBYBPURM-UHFFFAOYSA-N 428.561 1.554 0 40 IDAB O=C(CSc1nnc(N2CCOCC2)n1C1CC1)N1CCN(Cc2ccccc2)CC1 26423699 VZZCXFSYGPVPBS-UHFFFAOYSA-N 442.589 1.886 0 40 IDAB CC(C)c1nc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cs1 32718158 NAKZIBWKSBYRDI-UHFFFAOYSA-N 437.591 1.472 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCOCC3)c2)CC1 35045869 RDOPJPVRUOBJTA-UHFFFAOYSA-N 444.557 1.712 0 40 IDAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCN(c3ncccn3)CC1)cn2CCC(=O)O 36354330 QKFKBVIRFPDJFC-FQEVSTJZSA-N 439.472 1.863 0 40 IDAB O=C(Cn1c(=O)n(CC(=O)NC2CC2)c(=O)c2oc3ccccc3c21)Nc1ccccc1 49402427 CGMGBJIBLURQFL-UHFFFAOYSA-N 432.436 1.827 0 40 IDAB O=C(Cn1c(-c2ccccc2)noc1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 60106921 MTHPUIFHIXXEQF-UHFFFAOYSA-N 428.470 1.036 0 40 IDAB COc1cc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1OCC(F)(F)F 72294581 NQUGBSUPDCQWAD-INIZCTEOSA-N 431.455 1.659 0 40 IDAB C[C@]12CC[C@H](C[C@@H]1C(=O)NCCCN1CCCC1=O)[C@]1(C2)NC(=O)c2cccnc2N1 72342627 HOAPDDJDVGCSKP-XBQGDNKKSA-N 425.533 1.888 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)C(=O)O 80355321 NVUYWGPFDXYIHC-YWPYICTPSA-N 440.547 1.708 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCN(C)c1ccccc1 95472013 RTCGHDMARIQDCY-UHFFFAOYSA-N 430.574 1.797 0 40 IDAB Cc1cccc(S(=O)(=O)N2CCC3(CC2)O[C@@H](C(=O)NC(C)C)Cn2ccnc23)c1 96243655 IRUOOYNMTKLZHC-GOSISDBHSA-N 432.546 1.795 0 40 IDAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102146924 NIVGLXXJIRMIAK-IYBDPMFKSA-N 443.500 1.729 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225731660 ZPSUROCXXWRRSD-UHFFFAOYSA-N 436.437 1.854 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)CC[C@H]3CCCO3)nc2C1 247533924 PVZLAHXYMQDJPO-PBHICJAKSA-N 438.550 1.513 0 40 IDAB CN(C)c1cc(N2CCC[C@@](O)(CNCc3cccc(CN4CCOCC4)c3)C2)ncn1 257226853 FMLBLYNBEKMACX-XMMPIXPASA-N 440.592 1.496 0 40 IDAB CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)[C@H](C(=O)N(C)C)C1 257324806 WQGPNFLPOPKIIG-INIZCTEOSA-N 427.471 1.548 0 40 IDAB CN1C[C@H](C(=O)NCCc2ccccc2)OC2(CCN(C(=O)Cc3ccco3)CC2)C1 306135616 OVZNJIVXCQNFDZ-OAQYLSRUSA-N 425.529 1.873 0 40 IDAB COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OC)c(OC)c2)C1=O 408548197 DVLAITGWJZREFD-BJMVGYQFSA-N 446.197 1.374 0 40 IDAB CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)CC1 408589486 HZQZNCLRKVABPZ-HNNXBMFYSA-N 429.970 1.913 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408706482 ZIMJGFPIIPVPRG-UHFFFAOYSA-N 449.529 1.472 0 40 IDAB O=C(O)c1cccc(C(=O)N2C[C@@H]3C[C@@H](O)CN3C3(CN(C(=O)Cc4ccccc4)C3)C2)c1 514290154 UQBHXORMCJURPO-LEWJYISDSA-N 449.507 1.100 0 40 IDAB biogenic,in-vitro O=S1(=O)C[C@@H](O)[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)C1 575424652 VATLUVPAMMUSQP-JKSUJKDBSA-N 446.344 1.802 0 40 IDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O 575424976 DCOJDXWOHFALSB-IAGOWNOFSA-N 439.511 1.042 0 40 IDAB OC[C@H]1[C@H](O)C[C@@H](NCC2CCOCC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 604382070 CAKIDGVOKWZRLC-SSGKUCQKSA-N 427.545 1.972 0 40 IDAB biogenic,in-vitro CN(CCCN(C)C(=O)Cc1ccc2c(c1)NC(=O)C2)C(=O)Cc1ccc2c(c1)NC(=O)C2 680209533 SVTBLMXOJNDWQO-UHFFFAOYSA-N 448.523 1.768 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(C(=O)C1CCC1)C2 1549174767 QMBGREQFGSJYGP-FQEVSTJZSA-N 425.529 1.874 0 40 IDAB COC(=O)[C@](NC(=O)Cc1ccccc1)(NS(=O)(=O)c1ccccc1)C(F)(F)F 2196989 MAZHBSSHTLHGBP-KRWDZBQOSA-N 430.404 1.755 0 40 IDAB Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CCCn1ccnc1 9060229 KCHMUFUARSKQGK-UHFFFAOYSA-N 435.463 1.932 0 40 IDAB CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)CC1 9095644 ZHHGESMXUQVUEJ-HKUYNNGSSA-N 449.573 1.755 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 9126623 DBABZYDNQKAZTB-UHFFFAOYSA-N 433.486 1.722 0 40 IDAB COc1ccc(NC(=O)CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 9575305 VJLTYFFMVZMTRS-INIZCTEOSA-N 431.514 1.851 0 40 IDAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)CCNS(=O)(=O)c3ccccc3)nc2c1 9823336 DJBUZHCIUMROOJ-UHFFFAOYSA-N 445.453 1.122 0 40 IDAB COC(=O)C1CCN(C(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1 10541979 MTGDBCKFBCDNMG-UHFFFAOYSA-N 433.324 1.627 0 40 IDAB C[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 12085935 XGVMVDMYPISSMB-GGUMNFRJSA-N 440.544 1.603 0 40 IDAB Cn1c(SCC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)nnc1-c1cccnc1 12427806 GXFPLJZRSVVAOA-UHFFFAOYSA-N 435.473 1.288 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)n(C)c1=O 12581263 GJGUVMLUOQPGPU-UHFFFAOYSA-N 437.431 1.682 0 40 IDAB O=C([C@H]1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2O1)N1CCOCC1 13008645 FUYULAHOFDNKGL-HXUWFJFHSA-N 449.463 1.326 0 40 IDAB COCCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 13012718 JANSTTWXVVLUAB-UHFFFAOYSA-N 433.530 1.119 0 40 IDAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1ccccc1 13548347 GNXSDTZKJJOENM-IEBWSBKVSA-N 429.542 1.908 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)o2)n(C)n1 13614982 BLRIIPMZSZCCMK-GFCCVEGCSA-N 436.519 1.879 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCN1CCC(C)CC1 13672588 NOWQRAQZLHKVPD-UHFFFAOYSA-N 439.578 1.568 0 40 IDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13701010 KULQEKGJMYNGFE-AWEZNQCLSA-N 436.472 1.847 0 40 IDAB O=C(O)CN1C(=O)/C(=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc21 13751493 DLZRQFVLQWRMLO-NXVVXOECSA-N 438.852 1.821 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC1 14169572 OFBYEHASQFKNOO-UHFFFAOYSA-N 446.529 1.561 0 40 IDAB Cc1ccc(OCCNC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)cc1 14255063 PRUDQLHIUKHTRR-UHFFFAOYSA-N 433.530 1.202 0 40 IDAB CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@@H](C(=O)O)[C@H](C)CC)ccc12 15956045 GOGWDOJDMKROOJ-MPBGBICISA-N 432.473 1.774 0 40 IDAB biogenic COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 16024527 AFTUVLJUYFUBFM-ZDQHKECQSA-N 449.507 1.619 0 40 IDAB Cn1cc(-c2cccnc2)c(S(=O)(=O)N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1 19290266 NUXJYDPCTFEZJD-UHFFFAOYSA-N 447.467 1.907 0 40 IDAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699682 OCQYMRDGXYHQQN-QRQLOZEOSA-N 438.528 1.860 0 40 IDAB COc1cc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc(OC)c1OC 24652318 XWFWAIQOKNJTGD-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB O=C(c1cncc(Br)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 24923913 XXPVDNJFVQJPJN-QGZVFWFLSA-N 432.274 1.969 0 40 IDAB O=C(CN1CCOCC1)N1CCN(C(=O)c2cc(Cl)ccc2Br)CC1 30584587 HQWWYRBKNQJCOJ-UHFFFAOYSA-N 430.730 1.719 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc(F)cc(F)c2)c1=O 32865645 KKZCVKALZKZSPE-UHFFFAOYSA-N 437.447 1.146 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NCCc3cccs3)CC2)cc1 35306206 ILVABWJOEBDAEE-INIZCTEOSA-N 437.587 1.810 0 40 IDAB CCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2c1c(=O)n(C)c(=O)n2C 35312956 JVQJTUKENZZOMJ-UHFFFAOYSA-N 431.518 1.973 0 40 IDAB COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F)C(=O)OC 36589892 MWVQTIUVCSEGKD-PXAZEXFGSA-N 440.378 1.589 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 56907958 UUEZWHNENQZNQB-OALUTQOASA-N 446.573 1.976 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1 96231307 DWAAYRLUYKUZGY-GFCCVEGCSA-N 431.449 1.019 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)n(C3CC3)c2=O)cc1 206640664 NAVZWXJWMKXMHY-UHFFFAOYSA-N 442.501 1.379 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3nc(-c4cccs4)no3)c2)CC1 219974080 MWHALAHYJRABFB-UHFFFAOYSA-N 447.542 1.664 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222887216 RUXJXKAMNLVCHL-SFHVURJKSA-N 431.558 1.967 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)N[C@H]3CCCOC3)CC1)O2 248336443 OJVRJHUKHZYTNX-HKARXFIJSA-N 429.517 1.552 0 40 IDAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)NCc1nc2ccccc2n1C 257304038 SJUZYLBAIFSVSH-OAQYLSRUSA-N 434.544 1.122 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3ncn[nH]3)C2)cc1 260752138 XNAOCBCVZIEFDH-ZDUSSCGKSA-N 425.536 1.123 0 40 IDAB CCCCCCO[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 584578405 RZSSLCQNNAGTQY-HVTWWXFQSA-N 431.482 1.239 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CCC(C)C)C[C@@H]23)cc1 585106075 IZPNWYGPJCYKQC-UXHICEINSA-N 435.590 1.942 0 40 IDAB CNCCOc1cc(Cl)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O 2037879688 LODLICZZLSYRKT-KSSFIOAISA-N 447.919 1.869 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)ccc2c1=O 4766421 OXEJDGGLLGBYSI-UHFFFAOYSA-N 436.512 1.915 0 40 IDAB COc1ccc(CNC(=O)COCC(=O)N2CCN(c3ccccc3OC)CC2)cc1 6953174 AEXFIIVSOJUEET-UHFFFAOYSA-N 427.501 1.685 0 40 IDAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O 9050472 ZVUZZHJHVGYVML-FQEVSTJZSA-N 445.382 1.863 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 9068017 ZMZTUOXPFGWLPV-GOSISDBHSA-N 443.481 1.713 0 40 IDAB COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1)C(C)C 9134448 ZYZIQSCTBYZYAP-QAPCUYQASA-N 439.534 1.360 0 40 IDAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)NC[C@H]1CCCO1 9441346 HZXUSKDOXPOMIW-OAHLLOKOSA-N 444.937 1.967 0 40 IDAB CN(C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 9504139 KMLIOWAMISSRKB-SFHVURJKSA-N 433.530 1.545 0 40 IDAB O=C(Cn1cc(S(=O)(=O)CC(=O)N2CCOCC2)c2ccccc21)N1CCCCC1 9519671 SAHGAQFOVLJBKJ-UHFFFAOYSA-N 433.530 1.286 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2)cc1 9576326 NZQIMWYVKBCZPG-LJQANCHMSA-N 431.514 1.165 0 40 IDAB O=S(=O)(c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CC2)cc1)N1CCOCC1 9606183 LJSRSYCHIFWLSC-UHFFFAOYSA-N 437.543 1.456 0 40 IDAB CCCNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc2O1 9670478 IDYIEBFYDBKHBN-SFHVURJKSA-N 432.502 1.066 0 40 IDAB CC1CCN(C(=O)CCNC(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 12391883 JDWDNKLYWJDISI-UHFFFAOYSA-N 437.504 1.557 0 40 IDAB Cc1ccn2c(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c(-c3ccccc3)nc2c1 12534976 GEWJSXQXHQMRGU-UHFFFAOYSA-N 443.467 1.696 0 40 IDAB COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1OC 13856697 ZRRPZXCYXBTWNV-MRXNPFEDSA-N 426.425 1.623 0 40 IDAB COc1ccc([C@@H]2CN(S(C)(=O)=O)[C@H]3CCN(C(=O)c4cc[nH]c(=O)c4)C[C@H]32)cc1 19557262 VIZUDVAKJSGGIY-FHWLQOOXSA-N 431.514 1.273 0 40 IDAB CN1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C2CCCC2)CC1 19589836 QTKPLEBVWNIVCS-FQEVSTJZSA-N 437.504 1.695 0 40 IDAB COc1ccccc1N1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 20049994 PJHZNHYCWFZSNC-FQEVSTJZSA-N 431.514 1.571 0 40 IDAB O=C1c2ccccc2C(=O)N1CCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 25786137 XPJCJJJLLPWEDY-UHFFFAOYSA-N 431.489 1.818 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 34808365 FYEFTAXZMDGBPL-ASSNKEHSSA-N 444.484 1.701 0 40 IDAB biogenic CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)CNC1=NS(=O)(=O)c2ccccc21 40155295 ZJGPHVZMBCNJLD-CABCVRRESA-N 436.534 1.677 0 40 IDAB CC(C)NC(=O)CN1CCN(CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)CC1 96865447 RKZUPAPAGKBMBS-XMMPIXPASA-N 443.592 1.851 0 40 IDAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223406483 IUMYHKDWYFVQPG-HSALFYBXSA-N 441.528 1.890 0 40 IDAB Cc1nc(C(=O)N2CC[C@@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)cs1 306127084 FOEBGTMZNUITPY-OAQYLSRUSA-N 441.488 1.446 0 40 IDAB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1N1CCOCC1 409211600 LYRGFBRBAPZMKO-UHFFFAOYSA-N 432.550 1.215 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)c(C)c1 575608765 YEMNNRUZLMPJPF-UHFFFAOYSA-N 447.565 1.673 0 40 IDAB Cn1cc(C(=O)N2CCCCC3(CO)CCN(CC3)C(=O)c3ccccc3OCC2)nn1 643578591 HGTIXIQYWWKDJG-UHFFFAOYSA-N 441.532 1.735 0 40 IDAB Cc1csc(C(=O)NC[C@H]2OC[C@@H](n3cc(C)c(O)nc3=O)[C@@H]3OC(C)(C)O[C@@H]32)c1 2037977823 MUZJEWONISQGEK-LUYZLQTOSA-N 435.502 1.517 0 40 IDAB COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)nc(OC)n1 2135762 ZGQLGVDZSLJIOC-UHFFFAOYSA-N 437.503 1.518 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NCc3ccco3)nc(CC(C)(C)C)nc2n(C)c1=O 6559714 QJOQWXLMMZBORZ-UHFFFAOYSA-N 431.518 1.617 0 40 IDAB Cc1ccc2c(c1)[C@@]1(N[C@@H](CCC(=O)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 8790437 BMRYPTQIJUYKGS-HOSCZWGSSA-N 447.491 1.823 0 40 IDAB biogenic COc1ccccc1NCCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 9442522 YJQZQXBSZIEURN-UHFFFAOYSA-N 435.502 1.929 0 40 IDAB O=C(NCCCN1CCCC1=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9531097 AFLSAZJNHRWIBW-UHFFFAOYSA-N 427.954 1.869 0 40 IDAB CCOC(=O)C1=C(COC(=O)/C(=C/c2ccccc2)n2nnnc2C)NC(=O)N[C@H]1C 9634183 XCCYAWWVTFXMKF-KPENOIPVSA-N 426.433 1.041 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccncc1 9715294 NTBROGCOXBLAEP-MRXNPFEDSA-N 436.559 1.509 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(C)c2)cc1 9806577 PAVMVJOILHDTEM-QGZVFWFLSA-N 431.514 1.912 0 40 IDAB COC(=O)c1c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc2c1CC[C@H](C)C2 12525299 CSZBCGPSRYVQKE-JTQLQIEISA-N 445.501 1.045 0 40 IDAB C[C@H](On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(=O)Nc1ccccc1F 12889320 JXGNBLLUCDNEFQ-ZDUSSCGKSA-N 449.464 1.047 0 40 IDAB COc1cc(C)cc2oc(=O)c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)c12 13574115 MWXGYPKOJKQDCA-UHFFFAOYSA-N 444.509 1.967 0 40 IDAB CCOC(=O)N1CCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC1 13692739 USVQKLOVBPCGFO-UHFFFAOYSA-N 428.489 1.802 0 40 IDAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccncc1 13723313 ZYQNYVLOFGCTSF-UHFFFAOYSA-N 425.488 1.025 0 40 IDAB COc1ccc(C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ncccn3)CC2)cc1 16050769 IKJNZKBDYABLAX-SFHVURJKSA-N 429.546 1.686 0 40 IDAB C[C@@H]1CN(C)CC[C@@H]1CCc1ccc(NC(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)cc1 19497738 RZXLHGJYWVWKLL-WBVHZDCISA-N 438.532 1.582 0 40 IDAB Cc1c(C(=O)NC[C@@H](C)O)sc2nc3n(c(=O)c12)CCN(Cc1ccccc1)CC3 19565187 AOEJGASUGWSONU-CQSZACIVSA-N 426.542 1.935 0 40 IDAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)CN3CCCC3=O)nc(N(C)C)c2C1 19710252 CTZRMLRMLXOZRC-SFHVURJKSA-N 428.537 1.123 0 40 IDAB COCCNC(=O)c1cc([C@@H]2CCN(C(=O)Cn3cccnc3=O)C2)nc2ccccc12 19761594 DTVACRVHXYSDPE-MRXNPFEDSA-N 435.484 1.184 0 40 IDAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2c[nH]c3ccccc23)cc1 19797129 NHWURLWKNOOTLU-SFTDATJTSA-N 448.566 1.948 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C/C=C/c3ccccc3)CC1)C2=O 23254071 WPLZJOVPYJYEBF-VMPITWQZSA-N 439.560 1.849 0 40 IDAB COc1ccc(N[C@]2(O)CSc3nnc(Cc4ccc(C)cc4)c(=O)n3N2)c(OC)c1 35682823 SUZKOOHFFXGRDU-OAQYLSRUSA-N 441.513 1.962 0 40 IDAB COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(C(=O)c2snnc2C)CC1 43942201 DGJLEQRKFAUKBI-UHFFFAOYSA-N 431.518 1.771 0 40 IDAB O=C(Cn1cnc2nc(N3CCSCC3)sc2c1=O)Nc1ccc2c(c1)OCO2 45970639 QNOLQWQEBHAODU-UHFFFAOYSA-N 431.499 1.774 0 40 IDAB Cc1oc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1S(=O)(=O)N1CCCC1 48276383 XNOIOOYBGMNMSC-UHFFFAOYSA-N 446.485 1.677 0 40 IDAB CN1CCN([C@H](CNC(=O)C(=O)Nc2cccc(-n3cnnc3)c2)c2ccccc2)CC1 49550242 DXVNNMNRRIZMJP-OAQYLSRUSA-N 433.516 1.311 0 40 IDAB COc1ccc(CC(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1OC 70933480 XKGMYAARZZBCKO-UHFFFAOYSA-N 433.530 1.858 0 40 IDAB Cc1nc(CN2CCN(C(=O)[C@H]3CCN(c4cccc(Br)c4)C3=O)CC2)n[nH]1 78823362 LQWJTPOKNHLIDQ-MRXNPFEDSA-N 447.337 1.573 0 40 IDAB CCCC[C@@H](C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)N1CCCS1(=O)=O 89950183 ZOMOMWMEQUKBAK-MOPGFXCFSA-N 442.626 1.126 0 40 IDAB CS(=O)(=O)N1CCC(C2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)CC1 100878990 JZRYVFKQEBEEFQ-FQEVSTJZSA-N 433.574 1.698 0 40 IDAB CCOC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccn(CC)n3)c(=O)n12 105543456 ROQWYKIZHBRCMY-XNXBSICISA-N 438.509 1.466 0 40 IDAB CN(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccccc1 106033172 KSGXOKFATUNQAY-INIZCTEOSA-N 431.514 1.855 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCOCC1)Cc1ccccc1F 223181382 MXOFUIYPDQNIMV-UHFFFAOYSA-N 449.548 1.736 0 40 IDAB Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ncncc5C)CC4)C3)ncn2)n1 390826813 PYUHGPNQQOCOGQ-UHFFFAOYSA-N 433.520 1.163 0 40 IDAB O=C(NCc1cc(=O)n2c(n1)CN(C(=O)Cc1ccc(F)cn1)CCC2)c1ccsc1 585110942 DKHOLBNPDJXYSU-UHFFFAOYSA-N 441.488 1.744 0 40 IDAB Cn1ncnc1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)c3ccccc3)C[C@@H]1CO2 1772594804 YNHIBHYCXCIEAD-GOSISDBHSA-N 432.484 1.640 0 40 IDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)c3c(C)noc3C)C2)n(-c2cccnc2)n1 2332241627 OYADPVWTKNUJBQ-USXIJHARSA-N 432.506 1.551 0 40 IDAB O=C(c1ccc(F)cc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243017 CHUSHVXDITXWCO-KRWDZBQOSA-N 429.473 1.884 0 40 IDAB COc1ccc2[nH]c3c(=O)n(CCCCC(=O)NCCNC(C)=O)c(=S)[nH]c3c2c1 2687914 PEEAUEPWTGAEDJ-UHFFFAOYSA-N 431.518 1.972 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O 3247971 FDGWCRROLPUYIG-UHFFFAOYSA-N 444.271 1.558 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)Nc3cc(C)nn3-c3nc(C)c(C)c(=O)[nH]3)CC2=O)c1 9822371 ACDJSBOBSXTUBF-HNNXBMFYSA-N 436.472 1.881 0 40 IDAB COc1cc(C(=O)O[C@H](C(N)=O)c2ccccc2)ccc1OCC(=O)N1CCOCC1 11328684 ZNHGRKKVRWDAAG-FQEVSTJZSA-N 428.441 1.316 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 11853363 WGAOPVWPMKAEML-UHFFFAOYSA-N 430.574 1.879 0 40 IDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CN1C(=O)N(C)C2(CCCCC2)C1=O 12557601 MQWVMWBGHIBIHX-UHFFFAOYSA-N 443.548 1.948 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1=O 12569102 QXAOZUFZYVWKFS-NRFANRHFSA-N 441.488 1.216 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1OC 12799435 ACGXTSUJDMFHDP-UHFFFAOYSA-N 447.513 1.290 0 40 IDAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 12873017 DUWSVUOOLWWGQG-GHCZAOPSSA-N 447.447 1.679 0 40 IDAB biogenic O=C(NCc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12935614 WGUUHUZXPSANAS-UHFFFAOYSA-N 435.477 1.813 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15959441 OJLSSLQLXZDJDV-CPQDGOSYSA-N 433.508 1.647 0 40 IDAB CCOC(=O)C1CCN(C(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)CC1 16851158 HPXHJXHGJHVBOB-UHFFFAOYSA-N 432.502 1.818 0 40 IDAB CCN(CC)CC(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(S(=O)(=O)CC)CC2 19526325 NXJUUOVRGIUWDN-QGZVFWFLSA-N 439.582 1.285 0 40 IDAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1 19573441 XOHXUXKPLVIHIA-UHFFFAOYSA-N 438.575 1.976 0 40 IDAB CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3CCN2CCOCC2)CO1 20621752 FJCYLWXXHIWGMP-UHFFFAOYSA-N 442.541 1.792 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)NC(=O)N[C@H]1C 22869965 FIKGGFAVGPCJBK-ZFWWWQNUSA-N 429.473 1.664 0 40 IDAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3cccnc3)C(=O)[C@H]1C2 36576152 VMSJUMAPYHPFCO-GOSISDBHSA-N 438.484 1.884 0 40 IDAB biogenic Cc1noc(C)c1CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)CC1 40154100 PSHQNOYLXBBAJN-UHFFFAOYSA-N 436.534 1.935 0 40 IDAB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2cc(Br)ccc2C)CC1 48301747 AERKEJXIMSARBT-UHFFFAOYSA-N 425.370 1.850 0 40 IDAB CN1C(=O)NC2(CCN(S(=O)(=O)C3=Cc4ccc(OC(F)F)cc4CC3)CC2)C1=O 95452544 RWVBGOMCBGYDGE-UHFFFAOYSA-N 441.456 1.921 0 40 IDAB CCN1CC[C@@]2(CN(CCOC)CC23CCN(S(=O)(=O)c2cccs2)CC3)C1=O 96262811 VXBFGLMDBCAJSU-HXUWFJFHSA-N 441.619 1.720 0 40 IDAB CC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C3\C(=O)Nc4ccccc43)c(=O)n12 100895705 IZKAOEVHZXAETM-ZFNWARKJSA-N 431.473 1.597 0 40 IDAB COc1ccc([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c(OC)c1OC 106549975 XSGQSKZQZXDUJQ-QAETUUGQSA-N 426.425 1.616 0 40 IDAB CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1=O 225380178 YYPVVNBNGBSAKK-WBVHZDCISA-N 441.450 1.744 0 40 IDAB biogenic,in-vitro COc1ccc(CNC(=S)Nc2nc(N3CCOCC3)cc(N3CCOCC3)n2)cc1 225930792 DUMPUHCHXYBBLF-UHFFFAOYSA-N 444.561 1.645 0 40 IDAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1cnn(-c2ccccc2)c1 547933998 XSCURVULYPSGFB-LJQANCHMSA-N 440.481 1.653 0 40 IDAB COc1ccc(CN2[C@@H]3CN(C(=O)c4ccccc4OC)C[C@@H]3OCCS2(=O)=O)cc1 1534640158 OVAPEQUXOJYSIO-CTNGQTDRSA-N 446.525 1.759 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(C(=O)c1cccnc1)C2 1549167464 PANVJFCJQCBNMQ-NRFANRHFSA-N 448.523 1.783 0 40 IDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)C 7999789 GPKHYEGVIIWOKA-HRCADAONSA-N 426.558 1.543 0 40 IDAB CC(=O)c1ccc(NC(=O)[C@]2(CC(=O)O)CC(c3ccc(OCC(N)=O)cc3)=NO2)cc1 8995401 ZZBKUFLCPSLZKT-JOCHJYFZSA-N 439.424 1.730 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(N2CCCC2)cc1 9207867 GVDQTQXYIMVXBD-UHFFFAOYSA-N 430.530 1.872 0 40 IDAB CCOC(=O)C1=C(CSc2nnc(Cc3ccc(OC)cc3)n2N)NC(=O)N[C@H]1C 9466825 YJZQCBDWOVKFQV-NSHDSACASA-N 432.506 1.202 0 40 IDAB Cc1nnc(NC(=O)CSc2nc(C3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)s1 9517449 BPBIAZQPZMLTCR-UHFFFAOYSA-N 447.546 1.576 0 40 IDAB COc1ccc(-c2nnc(SCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)o2)cc1 9632070 PJXQVKGHZWFITA-UHFFFAOYSA-N 445.501 1.819 0 40 IDAB O=C(NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21)c1ccccc1F 11665950 QZEZMMRALSILMG-UHFFFAOYSA-N 447.478 1.512 0 40 IDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)CCN3C(=O)NC(C)(C)C3=O)C2)C1 12087178 WHIKGKVVFPPOEF-QHCPKHFHSA-N 442.516 1.509 0 40 IDAB CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)Cc1cccc2ccccc12 12293066 OAJWTGHKAOVEMZ-SFHVURJKSA-N 427.526 1.927 0 40 IDAB COc1cccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)N3CCc4ccccc43)[C@H](O)[C@@H]2O)c1 12603967 PBLYRMVTGLXGEA-YUVXSKOASA-N 441.484 1.285 0 40 IDAB biogenic,in-vitro COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O 13533255 KYZBTSWTKRXASL-UHFFFAOYSA-N 431.470 1.671 0 40 IDAB COc1ccccc1C(=O)NCCc1nnc(SCC(=O)Nc2nccs2)n1C 13858113 BWXNKGBOWNPQNC-UHFFFAOYSA-N 432.531 1.984 0 40 IDAB O=C([C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)N1CCN(c2ccccn2)CC1 14242431 PJUJLYQZLBCQBZ-KRWDZBQOSA-N 425.514 1.344 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)CC1 16026195 XFLBGMAQIFFKGE-UHFFFAOYSA-N 442.585 1.581 0 40 IDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCn1nc(O)c2ccccc2c1=O 18118732 RZICONHTNNEYKW-UHFFFAOYSA-N 427.413 1.935 0 40 IDAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccc(=O)n(C)c3)nc(N(C)C)c2C1 19710398 NBPUYSVZFWFEKC-LJQANCHMSA-N 438.532 1.513 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)CC2=O)cc1 20724482 YRDDYUNWICCVEL-HNNXBMFYSA-N 449.554 1.643 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnn(-c2ccccc2)n1 23118831 DSCAZVMCHFYMAN-UHFFFAOYSA-N 443.485 1.549 0 40 IDAB O=C(c1ccc2[nH]nnc2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 23935032 YEACKIIKQQKJBU-UHFFFAOYSA-N 443.485 1.266 0 40 IDAB CCn1c(=O)c2ccccc2n(CC(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)c1=O 25399330 WNINSBCKWMHIGO-LJQANCHMSA-N 440.500 1.274 0 40 IDAB CN(C)c1cccc2c(S(=O)(=O)NCCCN3CCN(CCCN)CC3)cccc12 34352349 CLSUMSBNEOQICI-UHFFFAOYSA-N 433.622 1.541 0 40 IDAB O=C(CN1CCC[C@@H](C(=O)Nc2ccccn2)C1)NC(=O)Nc1ccc2c(c1)OCO2 40149565 SKDWMJANEMIUMJ-CQSZACIVSA-N 425.445 1.809 0 40 IDAB COc1ccc(N(CCC(=O)N2CCNC(=O)C2)S(=O)(=O)c2ccc(C)cc2C)cc1 40160773 GHRCGDRLLBDNSE-UHFFFAOYSA-N 445.541 1.856 0 40 IDAB COc1cc(Br)c(OC)c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 48354009 OQSBIFDTUWGIEC-UHFFFAOYSA-N 426.311 1.503 0 40 IDAB O=C(Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O)NC[C@H]1CCCO1 57504219 DQFOZTIQINWAGH-OAHLLOKOSA-N 438.419 1.647 0 40 IDAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 58154525 QXVYTXGQOYEDCX-AZUAARDMSA-N 444.557 1.265 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4nnc(C(=O)NC5CC5)n4)cc3)CC2=O)cc1 71001018 PSQQFXCCUKKWQR-OAHLLOKOSA-N 445.483 1.855 0 40 IDAB CN(CCCNC(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)S(C)(=O)=O 71806088 DPAABTVBBMJBRG-UHFFFAOYSA-N 426.926 1.953 0 40 IDAB C[C@H](CNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CCN(c2ccccc2)CC1 72294486 JQHJDEHVDMZRGK-WIYYLYMNSA-N 434.540 1.832 0 40 IDAB C[C@H](C(=O)NCCCN1CCOCC1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327617 OVXSFRDJNVSIEU-KOSHJBKYSA-N 443.544 1.630 0 40 IDAB Cc1cccnc1CN1CCC(c2nc3c(c(=O)[nH]2)CN(S(=O)(=O)N(C)C)CC3)CC1 72399039 LIBJSNOUPVCMNE-UHFFFAOYSA-N 446.577 1.017 0 40 IDAB COCCNC(=O)Cn1cc(NC(=O)c2nnn(-c3cccc4cccnc34)c2C)cn1 78874735 KCLODWPWJRGGKA-UHFFFAOYSA-N 434.460 1.335 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc([S@](C)=O)c(F)c3)C2=O)cc1 78879229 ZMICVCUDUSFFLV-WENCNXQZSA-N 433.461 1.977 0 40 IDAB CC(C)CCn1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2c1=O 79502116 FGNRURBJYPDWTC-SFHVURJKSA-N 445.585 1.993 0 40 IDAB O=C(COc1cccc(CO)c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 84374555 PNZLIOYYQGVUJO-UHFFFAOYSA-N 440.905 1.871 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4cc(Cl)ccc43)C2=O)CC1 95430257 BUTBGURMWWWJAO-HXUWFJFHSA-N 434.880 1.334 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)C3[C@@H]4[C@@H]3[C@@H]3CC[C@@H]4C3)nc2C1 100238124 INKFFTWCIDANCQ-XZFSWKSHSA-N 446.573 1.846 0 40 IDAB Cc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)C2=O)cc1C 101312738 PDSIEGCFRMBVEG-SIKLNZKXSA-N 449.507 1.920 0 40 IDAB COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cccc(OC)c3)c(=O)n12 103697726 ISQMATTYUBHJGP-RFTLFXFESA-N 436.489 1.868 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1C[C@H](C)O[C@H](C)C1 195531405 WLZOMBNZFSRRDK-KHYOSLBOSA-N 426.535 1.787 0 40 IDAB O=C(NCc1ccccc1)C1=NO[C@]2(COCC[C@H]2NS(=O)(=O)c2ccccc2)C1 306134624 NTSSIJDFDMENCT-CTNGQTDRSA-N 429.498 1.585 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(-c4nnco4)cc3)CC2)cc1 3428616 BYHCVTQDCWMARG-UHFFFAOYSA-N 442.497 1.957 0 40 IDAB CCN(CC(=O)NCc1cccs1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 3450752 XIXZXMKOGWYLEH-UHFFFAOYSA-N 437.591 1.222 0 40 IDAB Cc1cccc(NC(=O)CNC(=O)COC(=O)CCS(=O)(=O)c2ccccc2)c1C 8639202 GJVYZURXBKIXHR-UHFFFAOYSA-N 432.498 1.765 0 40 IDAB COc1cc2c(c3oc(=O)c(CC(=O)NCC(=O)NCC(=O)O)c(C)c13)CCC(C)(C)O2 8764911 CNBAZKBDTYAVIW-UHFFFAOYSA-N 446.456 1.073 0 40 IDAB biogenic O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 11796038 MECRJZFCGNFWDT-UHFFFAOYSA-N 431.514 1.687 0 40 IDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 12407843 HOLDZFZVJQAYEO-INIZCTEOSA-N 426.491 1.221 0 40 IDAB Cn1c(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(C(=O)N4CCCC4)cc3)cc2c1=O 12427751 XRCJZTAAMZRSTA-UHFFFAOYSA-N 428.470 1.264 0 40 IDAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(c2ncccn2)CC1 13727412 NTMBFRMDOWZNPC-UHFFFAOYSA-N 433.509 1.365 0 40 IDAB Cc1nc([C@@H]2CCCN2C(=O)c2cccc(OCCN3CCOCC3)c2)ncc1C(N)=O 19756015 SRGFJPSXRKJBPX-FQEVSTJZSA-N 439.516 1.572 0 40 IDAB O=C(NCCO)c1cc([C@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)nc2ccccc12 19761378 LFIORZIEHUYJTD-INIZCTEOSA-N 444.495 1.718 0 40 IDAB CNc1cc(C(=O)N2CCO[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)ccn1 19762841 OQFGCWCLFTUDJW-OAQYLSRUSA-N 449.511 1.950 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccc2c(c1)OCO2 20454696 RHLKXHRSOKWNEV-UHFFFAOYSA-N 428.470 1.683 0 40 IDAB Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(OC[C@@H]3CCCO3)cc1)c(=O)n2C 23640867 GWZAPPRADJOFLC-KRWDZBQOSA-N 442.472 1.239 0 40 IDAB COc1cc(C(=O)N2CCN(c3nc(C)nc4c(C)nn(C)c34)CC2)cc(OC)c1OC 28557425 JIYNZXLPBOVTJW-UHFFFAOYSA-N 440.504 1.968 0 40 IDAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCc1ccc(N2CCOCC2)nc1 32885547 FJBBQBKLCSOAJU-UHFFFAOYSA-N 434.518 1.754 0 40 IDAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 32945387 SBXIUXJWCJDXET-AWEZNQCLSA-N 434.470 1.697 0 40 IDAB C[C@@H]1O[C@H]2OC(=O)[C@]3(C)CC4=C(CO)C5=C(CC(=O)[C@@]4(C)[C@@H](C1=O)[C@H]23)C(C)(C)OC(=O)C5 35457826 JIEVZPUBUDASNE-RWORRRGRSA-N 444.480 1.790 0 40 IDAB biogenic,in-vitro C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)CC(=O)N2 40389088 PIVBBLYKAAIPIM-JSGCOSHPSA-N 439.472 1.984 0 40 IDAB COc1ccccc1N1CCN(C(=O)Cn2nc(N3CCSCC3)ccc2=O)CC1 71285351 OEANKIYPGWHUKX-UHFFFAOYSA-N 429.546 1.154 0 40 IDAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 72394879 VAVVDVFLLFAHTF-APWZRJJASA-N 439.512 1.928 0 40 IDAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc2c(c1)OCCO2 104789766 GAPBBOIZOZVFTG-INIZCTEOSA-N 445.541 1.885 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 216299796 SCSJSDYEXCJTIT-HNNXBMFYSA-N 434.518 1.667 0 40 IDAB CC(=O)Nc1ccc(N(C[C@H](O)CN[C@H](C)C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 230239158 WMBHULQCLKDUQW-DNVCBOLYSA-N 449.529 1.572 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@H]2c2ccc(CNC(=O)CO)cc2)cc1 257221637 DPYHHHVZZLXZEW-FCHUYYIVSA-N 425.529 1.308 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 575421660 KTACUIQNTJGFEH-IAGOWNOFSA-N 441.527 1.053 0 40 IDAB CCOc1ccccc1C(=O)NC[C@H]1OC[C@@H](n2ccc(O)nc2=O)[C@@H]2OC(C)(C)O[C@@H]21 2037977865 RINTXEHVXLMDOF-SKWUIDRYSA-N 445.472 1.238 0 40 IDAB O=C1c2ccccc2C(=O)N1CCCN1CCN(c2ccnc(N3CCOCC3)n2)CC1 2087145830 HTWMCFYFAQUPHW-UHFFFAOYSA-N 436.516 1.122 0 40 IDAB CCc1nnc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)s1 2658847 ZQHKRPMQQMGPCM-HNNXBMFYSA-N 426.520 1.813 0 40 IDAB COC(CNC(=O)c1ccc(Cn2c(S)nc3cc4c(cc3c2=O)OCO4)cc1)OC 2975398 ZSZMKSRXWIBNMG-UHFFFAOYSA-N 443.481 1.811 0 40 IDAB CCc1ccc(Nc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)s2)cc1 3461562 RFMDDZGGKHMKJO-UHFFFAOYSA-N 432.531 1.799 0 40 IDAB CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C=C2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 3917685 LJUAAETUARKTIV-OLYHOXELSA-N 434.460 1.111 0 40 IDAB in-vitro COc1ccc(C(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1OC 9001491 UYTBCTAPGXYFHD-UHFFFAOYSA-N 432.436 1.902 0 40 IDAB Cc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1 9124892 NATYGQLIUUEOIZ-UHFFFAOYSA-N 432.498 1.968 0 40 IDAB CCc1ccccc1NC(=O)CNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9156471 MUNKMBDQWAUAKE-SFHVURJKSA-N 440.525 1.917 0 40 IDAB COC(=O)c1cc(NC(=O)COC(=O)c2ccccc2NCCO)cc(C(=O)OC)c1 9162640 QPBPEJCDLXDPAI-UHFFFAOYSA-N 430.413 1.460 0 40 IDAB COc1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1OC 9570206 VFGLRFKMYFAOIY-UHFFFAOYSA-N 433.530 1.586 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2cscn2)C[C@@H]1C(=O)N(C)C 12125400 QHULCBXNXZGJBK-IERDGZPVSA-N 428.514 1.427 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncncc3S(C)(=O)=O)C2)cc1 12128336 VQPQSVUOVMOZEW-CQSZACIVSA-N 438.531 1.407 0 40 IDAB COc1ccc(OC)c(CC(=O)N2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)c1 12251725 YPMSEEPPHSIZDU-LBPRGKRZSA-N 425.532 1.908 0 40 IDAB O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@H](O)COCc2ccccc2Cl)n1 12811804 ADZQCYDMQJUQFI-HNNXBMFYSA-N 441.875 1.743 0 40 IDAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12853253 QQHCBOUONLWWSA-UHFFFAOYSA-N 443.447 1.541 0 40 IDAB Cn1c(N)c(N2CCCCC2)c(=O)n(C[C@H](O)COc2ccc(Cl)cc2Cl)c1=O 12854875 XWNRDIZCMJNABE-ZDUSSCGKSA-N 443.331 1.866 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)n(C)c1 12883503 CTUKIJWTLJIJQJ-UHFFFAOYSA-N 436.534 1.683 0 40 IDAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(OC(F)F)cc1 12981918 JMRMOIIMZKIGOT-SWLSCSKDSA-N 430.429 1.988 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 13009251 VVMZKRNEAPTAEB-UHFFFAOYSA-N 430.490 1.190 0 40 IDAB COc1cccc(C(=O)NCCNC(=O)c2nc(Cn3nc(C)c(Cl)c3C)no2)c1 15082246 RRQITGNPVCNELS-UHFFFAOYSA-N 432.868 1.753 0 40 IDAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccccc1F 16046168 MYBKKIPVBRYRPK-UHFFFAOYSA-N 433.505 1.755 0 40 IDAB CSCC[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CCSC)C(=O)O)cc1)C(=O)O 16248632 UEZCYMFZOMGGJO-KBPBESRZSA-N 428.532 1.559 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1 16638883 DKQRYQLCAYUWLZ-KRWDZBQOSA-N 433.534 1.436 0 40 IDAB Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)c1 19234765 YEFMOOZFPLOSOQ-LJQANCHMSA-N 444.557 1.692 0 40 IDAB COC[C@H](C)N1C[C@@H](C(=O)N2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)CC1=O 19456554 XHWUFOROHQRMBU-HOTGVXAUSA-N 430.501 1.905 0 40 IDAB C[C@@H](C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2)c1ccccc1 19459290 AAWWDNALQVBQMA-DNVCBOLYSA-N 444.557 1.945 0 40 IDAB Cc1ncc(C(=O)NCCc2nc(-c3ccccc3)ncc2C(=O)N2CCOCC2)c(C)n1 19697457 UBBISAZVAQHONJ-UHFFFAOYSA-N 446.511 1.995 0 40 IDAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccc(F)cc2)CC1)c1cccc(F)c1 20465360 VFNSHSMKDCCGHZ-CLAROIROSA-N 447.482 1.006 0 40 IDAB biogenic,in-vitro CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 22812017 DWDPLXKINCLJBR-UHFFFAOYSA-N 429.565 1.440 0 40 IDAB COc1ccc(CNC(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)cc1 23135212 YHIFBDYDHJVQHR-UHFFFAOYSA-N 425.468 1.837 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 25080445 NQLMAUCCNMILJE-IBGZPJMESA-N 446.525 1.978 0 40 IDAB COc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)c1 31772969 KFBPHCKCJLBHRK-QGZVFWFLSA-N 445.540 1.457 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)N1CCN(c2ccccc2F)CC1 38488423 DZFNHHPTIVLVKH-KRWDZBQOSA-N 434.537 1.890 0 40 IDAB O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccccn1 61720624 HWKKKJGGESHYFX-UHFFFAOYSA-N 438.919 1.935 0 40 IDAB CS(=O)(=O)NCC(=O)N1CCC[C@H]1c1nc(N)ncc1-c1ccc(C(F)(F)F)cc1 72354913 TZBCXPQUVFHASV-AWEZNQCLSA-N 443.451 1.957 0 40 IDAB C[C@](O)(CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1cccs1 77200990 JZYLGDZRQHJDHW-KRWDZBQOSA-N 430.573 1.864 0 40 IDAB Cc1nn2cc(S(=O)(=O)NCc3ccccc3S(=O)(=O)N(C)C)cnc2c1Cl 89534518 RUSBIBCWTYLTQB-UHFFFAOYSA-N 443.938 1.420 0 40 IDAB 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)COP(=O)(O)O 95803205 BGSOJVFOEQLVMH-QKXXUVGISA-N 442.445 1.899 0 40 IDAB C[C@@H]1CCCCN1C(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2 96147557 ZYILWHHSGSGDNR-OAHLLOKOSA-N 445.545 1.479 0 40 IDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1-n1cccc1 97046582 WGSPGOVVKLJXLQ-UHFFFAOYSA-N 431.562 1.036 0 40 IDAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C(=O)O)cc2)c1C 102303072 VRAPKAAOGHZCCU-JONQDZQNSA-N 433.442 1.685 0 40 IDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 102318813 BIOZVNHQZRVSSE-ROUUACIJSA-N 431.514 1.751 0 40 IDAB CCc1cccc2c1NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 105381087 TYWOLZGGOZTIIF-MPHKBZTNSA-N 433.508 1.593 0 40 IDAB biogenic O=C(O)c1cnc([C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)[nH]c1=O 224969074 RVLIMVBYGUIVRG-SNVBAGLBSA-N 442.291 1.799 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225207945 VHGFWYNTYGLAHO-HNNXBMFYSA-N 429.498 1.385 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1C 253471417 CORXTIBTJFBFQE-UHFFFAOYSA-N 440.591 1.739 0 40 IDAB Cc1nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 257280267 OKFNSPQTNPLKCG-MRXNPFEDSA-N 447.536 1.999 0 40 IDAB CN1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3cccc(F)c3F)cc2)CC1=O 257341681 ZLKPOKQGWKFBGM-LPHOPBHVSA-N 427.451 1.980 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3scnc3C)C2)cs1 306124881 CBGPOTYAAVWICK-LJQANCHMSA-N 430.559 1.531 0 40 IDAB NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)CC1 408560271 YJVFDWJPLLGDKN-UHFFFAOYSA-N 443.953 1.617 0 40 IDAB COc1ccc(CCNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1OC 408705942 QULDDVVQYXEHBX-UHFFFAOYSA-N 436.530 1.833 0 40 IDAB COC(=O)COc1ccccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 409233089 JZUXIESXKCODHI-LFIBNONCSA-N 439.424 1.778 0 40 IDAB O=S1(=O)C[C@H](O)[C@@H](N(c2cccc(O)c2)S(=O)(=O)c2ccc3ccccc3c2)C1 575420541 CNNCFKSPAONHOH-PMACEKPBSA-N 433.507 1.899 0 40 IDAB O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCC[C@H](N2CCCC2)C1 593830457 JDPIULIOONVXQL-LBPRGKRZSA-N 436.397 1.876 0 40 IDAB CCOC(=O)c1c(NC(=O)Cn2nc3ccccn3c2=O)sc(C(=O)N(C)C)c1C 603561593 KSMWDNOFWVKXCM-UHFFFAOYSA-N 431.474 1.383 0 40 IDAB O=C1OC[C@H](COc2cc(OC[C@@H]3COC(=O)O3)cc(OC[C@@H]3COC(=O)O3)c2)O1 627276285 ZXBFDLXRUFWDLP-KFWWJZLASA-N 426.330 1.429 0 40 IDAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H]4CS(=O)(=O)C[C@H]4O)c(C)c3cc2c1C 8765228 CWLPYTGPRICPQL-DLBZAZTESA-N 433.482 1.671 0 40 IDAB biogenic C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCC[C@H]1C(=O)O 8790901 NNNPVAYTYDQJFO-OPRWKUAOSA-N 431.514 1.615 0 40 IDAB biogenic O=C(C(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)N1CCOCC1 9460022 VTBWFVHARFHLBI-UHFFFAOYSA-N 449.573 1.426 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 9492169 NXBBRECXVZAACP-UHFFFAOYSA-N 428.470 1.932 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)NC(=O)NC1CCCCC1 9544932 LQKJTXIRBRXVPL-SFHVURJKSA-N 439.534 1.691 0 40 IDAB O=C(COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 9561711 AYLBDGPFRCIFCI-WBVHZDCISA-N 447.465 1.008 0 40 IDAB CC(C)CN(C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13011819 KXGQOXAOFRSRFC-ZUOKHONESA-N 437.566 1.218 0 40 IDAB Cc1ccc(N2C(=O)N(CC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)C(=O)[C@H]2C)cc1 13039851 KVOQRCWKJAZYGO-SJLPKXTDSA-N 435.546 1.824 0 40 IDAB CCOc1cc(CNCCNC(=O)c2nonc2N)cc(Br)c1OCC 13942037 HPRTYSCCHBFMSC-UHFFFAOYSA-N 428.287 1.731 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(=O)[nH]c1=O 15940462 HDPOTTSRCKBDER-OAHLLOKOSA-N 445.520 1.550 0 40 IDAB CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 16032669 YXCRQEGMDQRINR-LRTDBIEQSA-N 444.484 1.782 0 40 IDAB biogenic CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CNS(C)(=O)=O)C3)cc2N1 19451345 RFHXWAKQFPEEFH-MBNYWOFBSA-N 437.488 1.692 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1 19572624 MIVLEGOROJQGDT-QGZVFWFLSA-N 434.493 1.594 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3C)C1)C2=O 19699753 KBDXVRHSPXFRKX-IBGZPJMESA-N 440.544 1.852 0 40 IDAB Cc1c(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 20245655 GFQXKMSCEPFRKB-UHFFFAOYSA-N 443.529 1.979 0 40 IDAB CC(C)CN(C(=O)COC(=O)c1cc(Br)ccc1O)[C@H]1CCS(=O)(=O)C1 21613164 LDPLZFGNEJUMLZ-ZDUSSCGKSA-N 448.335 1.983 0 40 IDAB O=C(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1OC(=O)c1ccccc1)c1ccccc1 28632236 WTTRUBICDWFROZ-NLWGTHIKSA-N 436.420 1.907 0 40 IDAB CCCCCN(C(=O)c1ccnc(-n2cncn2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 40156319 FGWJCWYKZIECRX-UHFFFAOYSA-N 440.508 1.732 0 40 IDAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 57520745 ZZCVVOHYKPXYHN-UHFFFAOYSA-N 425.514 1.884 0 40 IDAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)N(C)S(=O)(=O)N1 72335197 WBVHLCYQTVPRDF-YAVWMNLKSA-N 435.594 1.641 0 40 IDAB Cc1nonc1C(=O)NCC(=O)N1CCN(C)C(=O)[C@H]1Cc1ccc(-c2ccccc2)cc1 72351390 ZGWSBMHXJFPLPO-HXUWFJFHSA-N 447.495 1.687 0 40 IDAB O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccn2c(=O)[nH]nc12 95456819 MIWSAHCHUSFWJC-UHFFFAOYSA-N 448.449 1.984 0 40 IDAB CC(=O)O[Sn](C)(OC(C)=O)O[Sn](C)(C)C 196942705 BZYMNYMQGORRDS-UHFFFAOYSA-L 431.649 1.533 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)ccc1OC 223850324 KJBBWPRELQZXKC-UHFFFAOYSA-N 431.514 1.656 0 40 IDAB CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32 245229705 DMQBJQRBCCUDSL-QDARVCMOSA-N 442.512 1.617 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCN3C(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)nc2C1 247503311 GELJSTNBFHRIHU-NOVWEMISSA-N 444.557 1.766 0 40 IDAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3nccs3)C[C@@H]2N1Cc1ccccn1 306137273 QRJBHEBASGBNDM-JKSUJKDBSA-N 429.527 1.769 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 408597791 YGNAXASPRSDIQI-NRFANRHFSA-N 431.558 1.333 0 40 IDAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc1 408653045 HIFWIMBWIDPJQF-INIZCTEOSA-N 425.441 1.761 0 40 IDAB C[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1)c1ccccc1 408996831 AVRLLPAOQBZVCB-MRXNPFEDSA-N 426.473 1.023 0 40 IDAB COc1ccc(S(=O)(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cc1Cl 575613433 RZWMPMQDVYSZHJ-UHFFFAOYSA-N 449.913 1.967 0 40 IDAB CC(=O)N1CCN(C[C@]2(O)CCN(Cc3ccc(OCCn4cccn4)cc3)C2)CC1 585271307 WAVKTEDGLGPJSH-HSZRJFAPSA-N 427.549 1.063 0 40 IDAB O=C1NC2(CCCC2)C(=O)N1CCN1CCC(NS(=O)(=O)c2cccs2)CC1 605435888 DOKQCBXOSSMDOC-UHFFFAOYSA-N 426.564 1.355 0 40 IDAB Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1 1363931 UNJFPEZIBOOKTR-GOSISDBHSA-N 440.529 1.688 0 40 IDAB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 3623288 XJAYMNLXKCRKRP-QGZVFWFLSA-N 428.342 1.471 0 40 IDAB COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C[C@@H]5CCCO5)C(=O)[C@H]24)O3)cc(OC)c1OC 9409821 LQAIALVFPHCXFW-OJTXJFDCSA-N 444.484 1.612 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@H](c2ccccc2[N+](=O)[O-])n2nnnc2N1 10232290 UHHATEBSFQXQJT-KRWDZBQOSA-N 436.384 1.915 0 40 IDAB COc1ccc(CC(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)cc1OC 12142314 JMQBXNLZVAUTDB-UHFFFAOYSA-N 431.514 1.969 0 40 IDAB O=S(=O)(Cc1cc2c(cc1Cl)OCO2)c1nnnn1Cc1ccc2c(c1)OCO2 12375123 XYXKAHINKNSXFU-UHFFFAOYSA-N 436.833 1.806 0 40 IDAB COC(=O)c1ccc2c(=O)n(CC(=O)NCCCN3CCC(C)CC3)c(S)nc2c1 12415794 UWWJTWFQXMJSRN-UHFFFAOYSA-N 432.546 1.710 0 40 IDAB C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1ccc[nH]1 12622610 DPIHNOBLJUNDCM-PSLIRLAXSA-N 435.285 1.775 0 40 IDAB COc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)N3CCC(C(=O)O)CC3)C(C)C)CC2=O)cc1 13556772 FQTXAHMWVLFMEE-UZLBHIALSA-N 445.516 1.512 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 13575149 BRHWZDNYISBXQS-BUYRESAOSA-N 426.491 1.898 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O 14670119 LDGBTWRCADXVNU-UHFFFAOYSA-N 441.488 1.204 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](n2cnc3nc(S)[nH]c(=S)c32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 17428568 WDKGFQFLEBLBAV-XDYICZGBSA-N 442.475 1.101 0 40 IDAB COCCc1ncc(CN2CCO[C@@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)cn1 19693268 MWRJMWROZIPRTE-LJQANCHMSA-N 434.500 1.795 0 40 IDAB CNc1nc(C2CCN(C(=O)Cc3c(C)noc3C)CC2)nc2c1CCN(C(C)=O)C2 19710938 GKJUCOUCAZXLRR-UHFFFAOYSA-N 426.521 1.976 0 40 IDAB Cc1cccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3S(=O)(=O)c3ccccc3)CC2)c1 19796938 NUNPIGCKYFFDCM-SFTDATJTSA-N 434.583 1.757 0 40 IDAB CCN(CC(=O)Nc1cc(C(C)(C)C)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 21384659 XOTOPXPWAOOHOB-UHFFFAOYSA-N 440.504 1.918 0 40 IDAB C[C@@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n2C1 22286988 NKIVMEQHTPGALB-MRXNPFEDSA-N 430.553 1.018 0 40 IDAB COc1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2OC)N2CCN(C)CC2)cc1 22795346 ONOACHZNVOKZAT-NRFANRHFSA-N 440.544 1.425 0 40 IDAB O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(N2CCOCC2)cc1 22799761 QFGRRQITIPURGF-QHCPKHFHSA-N 434.540 1.973 0 40 IDAB COc1ccc(N(CCCC(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1Cl 22874076 BPGPEJPIDXLNOP-UHFFFAOYSA-N 447.985 1.733 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC1CCN(C(=O)c2ccoc2)CC1 22900746 WLWAVIDINWGWAG-UHFFFAOYSA-N 441.456 1.647 0 40 IDAB CN(Cc1ccccc1)C(=O)/C=C/C(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23805601 MNYDJLZSMNKDES-BUHFOSPRSA-N 447.495 1.345 0 40 IDAB O=C(COc1ccccc1)NCCNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 25997583 ZPEUXVJHGNHDOH-UHFFFAOYSA-N 431.798 1.832 0 40 IDAB CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 32084710 DLSQYWCODZJEIK-CQSZACIVSA-N 431.470 1.627 0 40 IDAB Cc1cc(N2C[C@@H](C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2=O)ccc1Br 32795615 USQHIZKRTOKWHG-GXTWGEPZSA-N 429.336 1.756 0 40 IDAB C[C@@H](OC(=O)[C@H]1COc2ccccc2C1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 32823879 FQNXNTIUYWUZON-RHSMWYFYSA-N 432.498 1.176 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)CC(C)(C)C)n2Cc2ccccc2F)n(C)c1=O 35291076 KKTMVEAJYAVIFD-UHFFFAOYSA-N 444.511 1.585 0 40 IDAB CCC1(CC)NC(=O)N(CC(=O)NCc2ccccc2OCCN2CCOCC2)C1=O 78714270 YOKCZSSVVPXBNG-UHFFFAOYSA-N 432.521 1.124 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCCC4)c3)CC2)cc1 96121066 MDDKIPKVUCPOMV-UHFFFAOYSA-N 430.534 1.546 0 40 IDAB CCOC(=O)c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1 96306432 LBRFFGGDOGTDGE-UHFFFAOYSA-N 439.472 1.315 0 40 IDAB NC(=O)CSc1ccccc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 96875450 MWRODPRAKYWJQJ-UHFFFAOYSA-N 430.505 1.800 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)COc2ccccc2)sc2cc(S(N)(=O)=O)ccc21 100876864 JRAPIPQEMFNWCL-ZZEZOPTASA-N 435.483 1.030 0 40 IDAB O=C1CCCC(=O)N1CCS(=O)(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206846905 SEHPRSYPHHDRPT-OAHLLOKOSA-N 434.474 1.004 0 40 IDAB COC(=O)[C@]1(C)[C@H](O)C[C@H](O)[C@]2(C)c3c(O)cc(C(C)C)cc3[C@H](O)[C@H](OC(C)=O)[C@H]21 252506818 VUPPXNVTSLGJHE-NLHLOAQASA-N 436.501 1.673 0 40 IDAB biogenic,in-vitro Cc1ccc2nc(COCC(=O)N3C[C@@H](O)[C@H](n4ccc5c(C(N)=O)ccnc54)C3)[nH]c2c1 257233002 GNIAXAROXPBQJI-RTBURBONSA-N 448.483 1.281 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408652858 DDLNBMFQYOMEJQ-UWTPGLLQSA-N 428.441 1.375 0 40 IDAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc2c(c1)OCCCO2 585183508 YFXLEJDIQMAKCK-HXUWFJFHSA-N 438.528 1.719 0 40 IDAB CN1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCCN4CCCC4=O)cc3)C2)CC1 585270642 OAKHALHNVQMWBG-DEOSSOPVSA-N 430.593 1.262 0 40 IDAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cc(Br)cc3nc(O)[nH]c23)CC1 646639916 JFIKYAGOUDGXNO-LLVKDONJSA-N 438.326 1.704 0 40 IDAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)nc(O)n2Cc1ccccc1)c1ccco1 1850655 YHAKEZYKRBCBMA-GOSISDBHSA-N 434.330 1.730 0 40 IDAB COC(=O)[C@@](NC(=O)Cc1ccccc1)(NS(=O)(=O)c1ccccc1)C(F)(F)F 2196988 MAZHBSSHTLHGBP-QGZVFWFLSA-N 430.404 1.755 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1F)c1ccncc1 3641205 DBWVYOSUWLNSEB-SFHVURJKSA-N 449.320 1.200 0 40 IDAB COC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)[C@@H](C)O 4018281 CMDMFCXLUPCMSQ-NIKGAXFTSA-N 430.457 1.268 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)C(=O)Nc3cccnc3)C2)cc1 9061131 RKROALPLRCQAJD-HOTGVXAUSA-N 446.529 1.634 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)C1 9305411 SIVXSHWQIGAVIK-IAGOWNOFSA-N 438.546 1.898 0 40 IDAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 9963361 YWYGUHODJSMVNU-UHFFFAOYSA-N 438.506 1.247 0 40 IDAB CCOC(=O)C1=C(CN2C(=O)C(=O)N(CC(C)C)C2=O)NC(=O)N[C@H]1c1ccccc1 9963543 IICYVBKFRZXNII-INIZCTEOSA-N 428.445 1.305 0 40 IDAB O=C(CN1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12593602 HIZFSRGJWLCMDX-UHFFFAOYSA-N 443.525 1.353 0 40 IDAB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12984081 FYOUJMWWDWDTSH-STQMWFEESA-N 449.460 1.396 0 40 IDAB Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)Nc1ccccc1C(N)=O 13692090 RWOUBRHQSQLALQ-GFCCVEGCSA-N 437.499 1.207 0 40 IDAB O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 14095134 ZZPYMFSJLXYFOR-MRXNPFEDSA-N 441.509 1.804 0 40 IDAB C[C@@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccc(F)cc1F 15392850 KLCGAKHUCLPNQX-SNVBAGLBSA-N 425.417 1.416 0 40 IDAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)Nc1ccc(F)c(F)c1 15647565 NZYARMGSMLNDMM-LBPRGKRZSA-N 431.395 1.844 0 40 IDAB C[C@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccc2c(c1)OCO2 17123307 PAYSSBVXAPFRGA-AWEZNQCLSA-N 445.472 1.608 0 40 IDAB O=C(C[C@H]1CCCCO1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339526 YOLNVQXMWBOMAB-RTBURBONSA-N 437.544 1.998 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2cn(C)nc2C)C[C@@H]1C(=O)N(C)C 19583424 YCOPOLPWBBCIET-XXBNENTESA-N 439.516 1.012 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccccc1OC 19817947 DLXCTVLIPLEHDG-IRXDYDNUSA-N 432.477 1.176 0 40 IDAB COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCOCC3)c(=O)[nH]c2c1 19940419 ZJAZJENZXBKVMH-LPHOPBHVSA-N 426.477 1.124 0 40 IDAB COc1ccc(CCNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1 20744287 XISBZGPXGHBNEO-UHFFFAOYSA-N 431.514 1.841 0 40 IDAB O=C(Nc1nnc(SCCN2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 22627779 NCPRFMSDMBYOFZ-AWEZNQCLSA-N 433.559 1.954 0 40 IDAB Cc1nnc(NC(=O)CSc2nc(CC(=O)NCCc3ccccc3)cc(=O)[nH]2)s1 22629742 CEZMGDBYXHNYOD-UHFFFAOYSA-N 444.542 1.562 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CN1CCN(CC(=O)Nc3cccc(F)c3)CC1)C2=O 22919204 BEJOLKYAIOOPIE-UHFFFAOYSA-N 431.512 1.840 0 40 IDAB O=C(NCc1cccnc1-n1cccn1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31226633 WUIGMGILKWKJQN-GOSISDBHSA-N 425.514 1.984 0 40 IDAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC(=O)N[C@H]3CCS(=O)(=O)C3)c12 48290532 LSLASLVINATLLT-AWEZNQCLSA-N 428.470 1.231 0 40 IDAB CN1CCN(C(=O)C2CCN(Cn3c(=O)oc4cc(Br)ccc43)CC2)CC1 48301808 NCKLEFIJCRLCCV-UHFFFAOYSA-N 437.338 1.801 0 40 IDAB CCCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O 57477433 CSDSJXBKGUEZBS-UHFFFAOYSA-N 425.485 1.949 0 40 IDAB COc1cccc2sc(N(C)CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc12 70973222 YQXCZKUNGCJWMN-UHFFFAOYSA-N 434.543 1.747 0 40 IDAB CN1CCCC[C@@H](C2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)C1=O 72372009 FJVSTWDKODIZRK-KRWDZBQOSA-N 434.562 1.536 0 40 IDAB CC(C)(C)OC(=O)N1CCCN(C(=O)C2CCN(c3cncc4nnnn34)CC2)CC1 95436690 OABPCOAPCSGIAC-UHFFFAOYSA-N 430.513 1.205 0 40 IDAB CON(C)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2Cn2ccnn2)ccc1Cl 95456746 MMRRMFSTVSFPDQ-AWEZNQCLSA-N 427.914 1.808 0 40 IDAB COC(=O)Cn1ncc2c(N3CC[C@H](OC)C[C@H]3CNC(=O)OC(C)(C)C)ncnc21 96005730 PQJSUUXOHGENHB-KBPBESRZSA-N 434.497 1.508 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(-c3ncn(C)n3)c2)cc1OC 96009054 JTTZKFWCTISZPW-UHFFFAOYSA-N 445.501 1.806 0 40 IDAB O=C(NCc1nc(-c2ccccc2)no1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96123985 DTQWGBGGFXUJHN-UHFFFAOYSA-N 431.460 1.640 0 40 IDAB COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(O)cc(C)n(CC(=O)O)c1=O 96221044 AWSIOTIZCAJPLJ-ZDUSSCGKSA-N 435.429 1.668 0 40 IDAB biogenic O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCn2c(nnc2C(F)(F)F)C1 96231556 PQGICGDPDAMTNK-ZDUSSCGKSA-N 436.394 1.540 0 40 IDAB O=C(NCc1ccnc(N2CCCC2)c1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96395949 ARDCIOHRRYAZBA-UHFFFAOYSA-N 433.520 1.585 0 40 IDAB CNC(=O)c1ccc(-c2cccc([C@H]3CN(CCC(=O)N4CCOCC4)CCO3)n2)cn1 257215837 CRWPEQUZXJNAJE-OAQYLSRUSA-N 439.516 1.125 0 40 IDAB Cc1ncoc1C(=O)N1CCc2nc3n(c(=O)c2C1)CC[C@]31CCN(C(=O)NC(C)C)C1 306129230 HXZMINJFVAXUKL-QFIPXVFZSA-N 440.504 1.203 0 40 IDAB CC(C)(C)OC(=O)N1CCC(CC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CC1 390830756 NDMXHNFBAQSQGN-MRXNPFEDSA-N 429.525 1.856 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1 408657873 POPCMNUPVRFCRV-OAHLLOKOSA-N 425.441 1.679 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 409172205 DBYRZIHRJHRTBH-UHFFFAOYSA-N 447.513 1.047 0 40 IDAB C[C@@H](CN1CCOCC1)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 506276076 VEDLRPBUNBYTHN-KRWDZBQOSA-N 429.542 1.889 0 40 IDAB C[C@@]1(c2cccc(C(=O)N[C@@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)c2)NC(=O)NC1=O 508010030 JDEXMIPTOBIRJO-HXOBKFHXSA-N 448.458 1.884 0 40 IDAB COc1cc([C@@H](CC(=O)NCCc2nc(C)no2)c2oc(C)cc(=O)c2O)ccc1O 524730040 SDISWASOPFKXRJ-CQSZACIVSA-N 429.429 1.940 0 40 IDAB biogenic COc1ccc(S(=O)(=O)Nc2ccc(N[C@H]3CS(=O)(=O)C[C@@H]3O)cc2)c(OC)c1 575426265 PYDRDWOQSIQGOR-HOTGVXAUSA-N 442.515 1.074 0 40 IDAB O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](Cc1c[nH]c2cccc(Br)c12)C(=O)O 583770696 PYDWHXRJWDEXHQ-YGRLFVJLSA-N 443.319 1.867 0 40 IDAB C[C@@]1(CNC(=O)CCn2nc(O)ccc2=O)CCC[C@@H](O)[C@@H](O)[C@H](c2ccccc2)C1 643553196 AUXDQNNNTVJHSN-OVNVTHAWSA-N 429.517 1.541 0 40 IDAB COCCNC(=O)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)/C=C/c2cccs2)C1 1565555446 ASTVFAJKWAVHBA-KTBYTZPXSA-N 429.546 1.984 0 40 IDAB Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)n(C)c3nc12 2917340 UFOMFSOPMZOXGT-UHFFFAOYSA-N 439.497 1.115 0 40 IDAB aggregator CC(C)CN(C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2)[C@H]1CCS(=O)(=O)C1 4195274 JNJYCOLZGWHBNO-AWEZNQCLSA-N 440.543 1.559 0 40 IDAB COc1nccnc1NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccnn2C)cc1 6088963 JHQZTNRBJPXISV-UHFFFAOYSA-N 447.502 1.146 0 40 IDAB Cc1cccc2cc(CN(CCN(C)C)C(=S)NCCCN3CCOCC3)c(=O)[nH]c12 6443403 GSDIMENHVIEUJR-UHFFFAOYSA-N 445.633 1.797 0 40 IDAB CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 8834579 SMWDBPKQNHBCGZ-ZSLBOAEBSA-N 433.301 1.047 0 40 IDAB COc1ccc(C(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)cc1OC 9000927 XXQKQYMSEAAGLK-UHFFFAOYSA-N 432.436 1.902 0 40 IDAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 9050839 MQMLCFXQFXGFKO-HXUWFJFHSA-N 443.521 1.644 0 40 IDAB Cn1c(COC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc(=O)n(C)c1=O 11296855 XLGULCJQHUQWBT-UHFFFAOYSA-N 435.483 1.303 0 40 IDAB O=C1CC[C@@H](C(=O)Nc2nc(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cs2)N1 12422852 CDGLLKFDZOFAQO-INIZCTEOSA-N 431.493 1.391 0 40 IDAB CN1N=C(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CCC1=O 12779748 WZCNBZQMEMQZSV-UHFFFAOYSA-N 432.424 1.147 0 40 IDAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1=O 12802603 IEOUPEPMXNMYRS-FQEVSTJZSA-N 434.391 1.819 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)C1=O 12904659 UBCFXWOPTMZUSU-HSZRJFAPSA-N 438.484 1.949 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC1 14310971 PPEYJGCWPGUOGN-UHFFFAOYSA-N 428.864 1.954 0 40 IDAB C[C@@H]1[C@@H](c2ccccc2)OCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C 15022828 JMCAFHDDCDQCDJ-KUHUBIRLSA-N 429.498 1.388 0 40 IDAB COc1ccc(-c2noc(C(=O)NCCNC(=O)Cc3ccc(F)cc3)n2)cc1OC 15082009 GEDQEYOGAVNXAK-UHFFFAOYSA-N 428.420 1.982 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 16020149 DOUIWKYWWJPRLI-IUVQPBGHSA-N 439.899 1.950 0 40 IDAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2cccnc2)c2ccco2)cc1 17043328 BTLNZJUKBPJHMY-LJQANCHMSA-N 427.482 1.931 0 40 IDAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)C[C@@H]2C=CCC2)CC1 19573755 GMZGZEWZDOVFCT-MRXNPFEDSA-N 434.562 1.779 0 40 IDAB CC(C)(C)SCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 21033843 CVYRAGPMMNKIOA-UHFFFAOYSA-N 442.607 1.283 0 40 IDAB CCOC(=O)c1cc2c([nH]1)-c1c(C(=O)OC)cc(C(=O)OC)nc1C(OC)(OC)C2=O 22057532 REQFOHFRVZRQRY-UHFFFAOYSA-N 432.385 1.469 0 40 IDAB in-vitro COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 22741128 HPVRZDHCWIDFPQ-LJQANCHMSA-N 438.527 1.803 0 40 IDAB CN1CCC2(CC1)NC(=O)N(CN1CCN(CCOc3ccc(Cl)cc3)CC1)C2=O 22929958 PIABYZPRYLASHI-UHFFFAOYSA-N 435.956 1.310 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3Cl)CC2)cc1C(N)=O 24746648 OQRLZFUAXYUVQM-UHFFFAOYSA-N 442.900 1.956 0 40 IDAB Cn1c(=O)n(CCCN2C(=O)c3ccccc3C2=O)c(=O)c2ccc(C(F)(F)F)nc21 26130502 VEQGOIBXAPZBPU-UHFFFAOYSA-N 432.358 1.800 0 40 IDAB Cn1cnc2c1c(=O)n(CCCSc1nnc(N3CCCC3)n1C1CC1)c(=O)n2C 28483458 YGNHFJZHPUKVOO-UHFFFAOYSA-N 430.538 1.143 0 40 IDAB O=C(CSc1nnc(CN2CCCC2=O)o1)N1CCN(C(=O)c2cccs2)CC1 32724145 RRBGDOISMPGUIL-UHFFFAOYSA-N 435.531 1.330 0 40 IDAB O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 32983309 MEXIKBGEIPGLTL-OAQYLSRUSA-N 448.479 1.367 0 40 IDAB CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NC[C@H]1CCCO1 35374119 WWKDEHZDZYUOBI-QGZVFWFLSA-N 443.479 1.171 0 40 IDAB COc1cc(I)c(Cl)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 40073866 OONCYXVRCLLHRT-SSDOTTSWSA-N 429.663 1.870 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)Nc2ccccc2F)CC1 56938793 GFUIKEAOSHCDBW-QGZVFWFLSA-N 449.552 1.759 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(C)c1)C(=O)N2 64965706 KISIPIXXRKSVKP-UHFFFAOYSA-N 441.509 1.882 0 40 IDAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)CNC(=O)c3ccc(C)o3)CC1)O2 72393687 CPLAGHMEPXUFIB-UHFFFAOYSA-N 427.457 1.510 0 40 IDAB CN(C)C1CCN(C(=O)C2=NO[C@@]3(CCN(S(=O)(=O)c4cccs4)C3)C2)CC1 96225675 JCMHIWBXRIEYPZ-SFHVURJKSA-N 426.564 1.210 0 40 IDAB COCCN1Cc2c(C(=O)NCc3ccccn3)ncn2-c2ccccc2S1(=O)=O 96266193 RHBOZHISVNEPIC-UHFFFAOYSA-N 427.486 1.348 0 40 IDAB O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 101513920 WCZIOJIMYNHZLV-IJEWVQPXSA-N 430.523 1.337 0 40 IDAB O=C(CN1CCOCC1)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 257269238 MPDYXBIQPUQCGR-FQEVSTJZSA-N 434.924 1.917 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408655011 HDZPWFAOMLDXPD-WTPVCQSKSA-N 425.441 1.322 0 40 IDAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1 585147640 LKYDMOULUWKYAZ-UHFFFAOYSA-N 442.541 1.987 0 40 IDAB CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 586823049 NGJQZRKJTKMJJQ-BIQFIRCYSA-N 434.533 1.899 0 40 IDAB COC1CCN(CCNC(=O)c2cccc(C(=O)NCCN3CCC(OC)CC3)c2)CC1 678794127 VMSMNNRNDNJQKY-UHFFFAOYSA-N 446.592 1.368 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)c1 1888922063 KURQNCVDZRRFTL-HUUCEWRRSA-N 444.517 1.207 0 40 IDAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5ccc(OC)c(F)c5)C[C@H]4C3)ncnc21 1888941912 XYGQRTRSAAPPCN-ZIAGYGMSSA-N 446.508 1.751 0 40 IDAB Cc1ccc2c(c1)[C@]1(N[C@H](CCC(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 2134323 AHGOZVVUHWJLQW-YQYRJILISA-N 425.485 1.913 0 40 IDAB biogenic Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cnn1C 2732408 XLCMILSAGJRIBZ-GFCCVEGCSA-N 442.339 1.925 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)N4CCCC4)CC3)C2=O)cc1 4704135 NKUZGEIYYHPQJE-LJQANCHMSA-N 427.501 1.830 0 40 IDAB Cc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)cc1 8708878 IJUBHULKQHAPBC-UHFFFAOYSA-N 428.452 1.599 0 40 IDAB CCOc1ccc(N2CCn3c2nn(CC(=O)N2CCCc4ccccc42)c(=O)c3=O)cc1 8849374 PWDNCOSOBIVXSD-UHFFFAOYSA-N 447.495 1.935 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8861562 DZLIFKQHPGMAKV-AWEZNQCLSA-N 434.452 1.706 0 40 IDAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9593676 HKVWNETWUBSIDQ-UHFFFAOYSA-N 444.517 1.333 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCc2cccnc2)cc1 9715275 TYYQUCDDLYPTED-IBGZPJMESA-N 444.557 1.756 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2)cc1 9806508 CCUFPAYLEVDUOT-QGZVFWFLSA-N 431.514 1.281 0 40 IDAB Cn1nnnc1-c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 10084155 ATUKSZLDBKMHLC-UHFFFAOYSA-N 446.464 1.289 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1 10217053 UDSHZUAANKXIOL-UHFFFAOYSA-N 428.470 1.540 0 40 IDAB C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N[C@H]1CCS(=O)(=O)C1 10779727 BOOBIPRAYRPKDB-OCCSQVGLSA-N 426.589 1.977 0 40 IDAB Cc1ccc(NC(=O)CCNC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)cc1 12447818 IXNXMPGKKJPONP-CBNQQXHVSA-N 434.489 1.836 0 40 IDAB COC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 12525951 XNCPZJZOEFMITM-UHFFFAOYSA-N 436.870 1.731 0 40 IDAB Cc1c(-n2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(=O)[nH]c2cc3c(cc12)OCO3 12910104 AAUHIXSCKDXLGI-UHFFFAOYSA-N 429.454 1.501 0 40 IDAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCCOC)Oc2ccccc21 13679181 YRPAQPDVELPXGF-LJQANCHMSA-N 447.513 1.619 0 40 IDAB Cc1nn(C)cc1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1Cc2ccccc2C1 13690438 AOKJBZDWQZHYGL-UHFFFAOYSA-N 431.496 1.881 0 40 IDAB Cc1cc(Cl)c2c(c1)[C@@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 16010080 PSLFARPWFHKJMQ-SKGWCBBHSA-N 444.919 1.577 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccccc3F)[nH]c(=O)c2C1 19572593 QHKJSMGVKOITPD-SFHVURJKSA-N 448.520 1.523 0 40 IDAB COc1ccccc1CN1CCc2c(O)nc([C@@H]3CCN(S(=O)(=O)N(C)C)C3)nc2C1 19583653 IYAHFVKTODGWQP-MRXNPFEDSA-N 447.561 1.345 0 40 IDAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)CNC(=O)c1ccc2c(c1)OCO2 23563732 CMOCLAPLNJWRPN-NSHDSACASA-N 430.379 1.878 0 40 IDAB Cc1cc(CSc2ncccc2C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)no1 24601632 BLLPSHUXXDCMDP-MRXNPFEDSA-N 436.559 1.615 0 40 IDAB O=C(CN1CCC[C@@H]1C(=O)NCc1ccco1)NC(=O)Nc1ccc2c(c1)OCCO2 27142039 YMCCWRIYLGNOJM-MRXNPFEDSA-N 428.445 1.480 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)o1 32924889 KDSAWPICERHEJF-UHFFFAOYSA-N 428.413 1.881 0 40 IDAB Cc1cc(C)nc(SCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 32942895 JNKIMLMXDJPELN-SFHVURJKSA-N 428.514 1.696 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C(=O)N2CCOCC2)c2ccccc2)CC1 35400009 WRXKAOSSLVYZRD-LJQANCHMSA-N 448.545 1.198 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccs3)CC2)CC1 38731524 MDTFJZPXHPGZQQ-CVEARBPZSA-N 425.576 1.194 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)Cc2csc(Cc3ccccc3)n2)CC1 40106423 GEQWDVMUMNCUCB-OAHLLOKOSA-N 435.571 1.728 0 40 IDAB C[C@@H](Oc1ccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cn1)c1ccccc1 48237900 VZNLLDBHYYUKEK-CRAIPNDOSA-N 431.514 1.645 0 40 IDAB COc1ccc(N2Cc3nn(CC(=O)N4CCN(c5ccccc5)CC4)c(=O)n3C2=O)cc1 66091306 YOGZHXNUINSGHD-UHFFFAOYSA-N 448.483 1.391 0 40 IDAB C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1=O 95478643 WKBKKTCKFLNOOF-NRFANRHFSA-N 429.498 1.057 0 40 IDAB CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CCC(O)CC4)cc32)n1 96156476 OMLPDSSNBJLYHK-KRWDZBQOSA-N 433.534 1.367 0 40 IDAB O=C1C(=O)N(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1Cc1cccs1 96305046 YJVCODNUSVEXRB-UHFFFAOYSA-N 442.497 1.543 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225423184 PPDURQSUDVRGPZ-CQSZACIVSA-N 439.484 1.894 0 40 IDAB Cc1ccc(-c2noc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)cc1 225564832 WSYRACQLXDAHHZ-UHFFFAOYSA-N 442.497 1.996 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1F 225604271 KRUXHKAENOPAEV-UHFFFAOYSA-N 436.509 1.904 0 40 IDAB CSCC[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]12 247538435 RHYOENXZKCWYKI-XKGKIKJVSA-N 449.960 1.993 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccc(C)cc1N2 248339227 SJWMRANMENYLPN-QZTZHPFYSA-N 441.576 1.848 0 40 IDAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCN2CCOCC2)cc1 408710265 VILCFXNOMNMMMI-UHFFFAOYSA-N 438.528 1.566 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N(c2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575420935 FSMWGHCZTGWWID-MOPGFXCFSA-N 425.528 1.869 0 40 IDAB O=C(NC1CCN(c2ncccn2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 643186671 JXGMSFNVUWXEIF-INIZCTEOSA-N 435.575 1.867 0 40 IDAB O=C1CN(Cc2ccccc2)C(=O)CC[C@@H](C(=O)O)NC(=O)c2ccccc2OCCN1 643570209 RCKUUCOCBSKYBG-SFHVURJKSA-N 439.468 1.187 0 40 IDAB O=C1NCCNC(=O)[C@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1ccon1)C2 1615525323 DMWZRJZDFVVKFS-HSZRJFAPSA-N 438.484 1.782 0 40 IDAB CCNS(=O)(=O)c1ccc(NC(=O)c2nn(C)cc2I)cc1 672102 WHGUOLYZGLVENJ-UHFFFAOYSA-N 434.259 1.575 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)n(C)c1=O 9058203 MDBRLNYAGQVOQF-CYBMUJFWSA-N 438.513 1.450 0 40 IDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 9283728 YDOKUENNWPQLGS-AWEZNQCLSA-N 440.481 1.293 0 40 IDAB CCCCn1c2c(c(=O)n(C)c1=O)[C@H](CC(=O)Nc1ccc(OC)c(OC)c1)C(=O)N2 9460059 FOJCRUCUMUASJN-ZDUSSCGKSA-N 430.461 1.429 0 40 IDAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1cccs1 9491698 LNMICRFORVJQOG-UHFFFAOYSA-N 437.543 1.858 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1 9613298 ZPKSHMQEZVEFDM-HNNXBMFYSA-N 431.518 1.056 0 40 IDAB COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4cc(OC)ccc4OC)c(C)cn23)n(C)c1=O 9713107 BPQPMBKSEYXNHN-LBPRGKRZSA-N 441.444 1.198 0 40 IDAB CCCn1c(=O)n(CC(=O)Nc2c(C)cccc2C)c(=O)c2c1nc(C)n2CCOC 10883442 ATYMZLWNMGZCAO-UHFFFAOYSA-N 427.505 1.980 0 40 IDAB O=C(COC(=O)CN1C(=O)CSc2ccccc21)NCC(=O)Nc1ccc(F)c(F)c1 19354587 FKCUEXNSMXISPX-UHFFFAOYSA-N 449.435 1.702 0 40 IDAB Cc1nn(CC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)c(C)c1C 19556541 XONMOUAHVZBXMY-JTSKRJEESA-N 432.471 1.988 0 40 IDAB CS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1 19573392 LSLWKEZJTPEJMC-KRWDZBQOSA-N 438.509 1.794 0 40 IDAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 19909000 FJCATROPVYSDER-IBGZPJMESA-N 433.530 1.391 0 40 IDAB COC(=O)C1=C(N)C(C(=O)OC)=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccccc1 20459031 SAVIAIFVEIRZQK-MQMQVCBVSA-N 448.500 1.051 0 40 IDAB COc1cc(CNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc(OC)c1OC 22335540 MBLHBFGSNAYBIN-UHFFFAOYSA-N 426.466 1.934 0 40 IDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N3CCN(Cc4ccccc4F)CC3)nc2n1 22847246 FIHWIEWORRQVRO-UHFFFAOYSA-N 426.452 1.381 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 57414864 QQMDUVHEBUQAFO-LJQANCHMSA-N 438.488 1.088 0 40 IDAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 57731372 YMZWMVYNYJDHFY-KRWDZBQOSA-N 430.509 1.227 0 40 IDAB O=C(NCC1CC1)[C@H]1CCCN(CC2(CN3CCC[C@@H](C(=O)NCC4CC4)C3)COC2)C1 89598104 ODJIDGNALLTFAK-SZPZYZBQSA-N 446.636 1.479 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCCNc2cc(Nc3ccccn3)ncn2)cc1 90607953 GKQGQXIEFZOOQJ-UHFFFAOYSA-N 427.490 1.964 0 40 IDAB O=C(CCC(=O)N1CCc2ccncc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 95467845 PDBBCWMUHLWMRT-UHFFFAOYSA-N 428.514 1.284 0 40 IDAB O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)N[C@@H]1CCc2ccccc21 98213212 ZFNVBLMEUVLTME-LJQANCHMSA-N 435.459 1.644 0 40 IDAB COC(=O)c1ccc(CS(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 216234219 QDZLDBAHQMUBAX-UHFFFAOYSA-N 438.527 1.616 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)Cc1ccccc1F 224587952 PTAZZGZXTREVMQ-UHFFFAOYSA-N 449.548 1.736 0 40 IDAB COC(=O)[C@H]1CN(C(=O)c2sc(N(C)S(C)(=O)=O)nc2C)c2ccccc2O1 225879666 SMJWGHNCZWHTSF-CYBMUJFWSA-N 425.488 1.428 0 40 IDAB CC(C)C[C@H](C(=O)OCC(=O)Nc1sccc1C(N)=O)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245266228 JHQJSMXNCJJRPE-UMVBOHGHSA-N 447.513 1.695 0 40 IDAB CN(C)[C@@H]1CC[C@@]2([C@@H](O)CNS(C)(=O)=O)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257213297 CGYLJHFOWMPERP-OFELHODLSA-N 426.579 1.073 0 40 IDAB CCc1nc2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2cc(C)c(O)nc2=O)C1 257233539 GPQSEUUUKVTRFT-VGOFRKELSA-N 425.489 1.394 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3ccn(C(C)C)n3)CCN2C)cc1C 257272472 NCOBSQCTPCNBAQ-HXUWFJFHSA-N 427.549 1.896 0 40 IDAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408702731 CPZOHWQHJAJUQE-ZDUSSCGKSA-N 431.470 1.598 0 40 IDAB Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CCN(c4ccc5nncn5n4)C3)cc2)co1 575414468 PWRYPGCVKFWSMY-HNNXBMFYSA-N 425.474 1.645 0 40 IDAB Cn1cnc(CCNC(=O)C[C@@H]2OC[C@H]3CN(c4cc(C(F)(F)F)ncn4)CC[C@@H]23)c1 585109491 UGWPCDNFNWLDQJ-BMFZPTHFSA-N 438.454 1.819 0 40 IDAB CCCCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)[C@]12C(=O)Nc1ccccc12 2483487 AJTRHOSDDGBAEE-QFIPXVFZSA-N 430.457 1.884 0 40 IDAB NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 3403766 IDNCFCUPDUJQFV-UHFFFAOYSA-N 441.275 1.853 0 40 IDAB Cc1ccc(-n2nnnc2SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1 3498749 AWYYUOPNOHKLRV-UHFFFAOYSA-N 429.506 1.044 0 40 IDAB aggregator CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C 4895695 IFAWXFBHEBGLFS-FOQKNYKRSA-N 425.529 1.777 0 40 IDAB CCn1c(CN(C)CC(=O)N2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 8725544 KNHBQLVJCIEBFF-UHFFFAOYSA-N 449.577 1.131 0 40 IDAB COc1ccc(C(=O)NCCC(=O)N2CCC3(CC2)NCCc2[nH]cnc23)cc1OC 8764471 GAOKUPBWDLHFRX-UHFFFAOYSA-N 427.505 1.210 0 40 IDAB biogenic COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccccn3)C2)cc1 9061059 WKKLKGWUXGMSKS-HOTGVXAUSA-N 446.529 1.634 0 40 IDAB O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(S(=O)(=O)c2cccs2)CC1 9245543 OPTHYRQVDAUPNG-UHFFFAOYSA-N 432.527 1.450 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3cc(Br)ccc3C(=O)O2)cc1 9453440 NGFBLOSUEGTWKI-CQSZACIVSA-N 425.260 1.817 0 40 IDAB O=C(NCC(=O)N1CCSCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9485579 SAEGAIMTRJELPD-CQSZACIVSA-N 445.994 1.432 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)/C=C/c1ccc(OC)c(OC)c1)n2C 9646776 LTKSNTZBWUTDGY-CSKARUKUSA-N 442.472 1.997 0 40 IDAB C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9818438 ZBHLKOSAFNGZQD-LBPRGKRZSA-N 438.535 1.148 0 40 IDAB COc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 10283294 VNEOTFLJKHFEOE-UHFFFAOYSA-N 431.514 1.500 0 40 IDAB Cn1cnnc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 12936767 NUMHXCXRCQOJAP-JTQLQIEISA-N 448.368 1.356 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCN(C(=O)c2cccs2)CC1 13116938 IUOXXKKYRRTZMN-QFIPXVFZSA-N 438.509 1.426 0 40 IDAB O=C(CCc1ccc2c(c1)OCO2)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 15083539 MSQYWWLYYOUNTM-UHFFFAOYSA-N 446.525 1.728 0 40 IDAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)[C@H]2SC1 15947214 CELMTIZIKITZRZ-BLLLJJGKSA-N 444.387 1.621 0 40 IDAB CC[C@H](C)c1c(O)nc(SCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)[nH]c1=O 15958248 QGOFAJNZBOKJRV-MJBXVCDLSA-N 430.530 1.889 0 40 IDAB biogenic CCCN1C(=O)N[C@@H](CCC(=O)N2CCC[C@@H](c3c(C)c(=O)nc4n3CCC4)C2)C1=O 19502557 DMPHIRCBRFGVHB-CVEARBPZSA-N 429.521 1.315 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C[C@H]3C=CCC3)[nH]c2=O)C1 19520452 AGVPGZVOALRXEF-MAUKXSAKSA-N 434.562 1.888 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)c3ccc4c(c3)OCCO4)C1)C2=O 19700767 DZVUFJYRBRMWGS-KRWDZBQOSA-N 442.516 1.469 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 20566237 AFTUVLJUYFUBFM-PBQROFAYSA-N 449.507 1.619 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCNC(=O)c2ccco2)Cc2ccco2)cc1 23042464 NWGDZZCEAQCPAM-UHFFFAOYSA-N 445.497 1.918 0 40 IDAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 25384695 UZJINQSFPIPZLF-KRWDZBQOSA-N 437.543 1.589 0 40 IDAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1OC 36358741 UCKXMEKCBVDBCY-AWEZNQCLSA-N 447.513 1.946 0 40 IDAB CC1=NN(c2ccc(C(=O)N3CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)cc2)CC1 48262644 LMEIHNGPXSYQSU-ROUUACIJSA-N 449.577 1.384 0 40 IDAB Nc1cc(SCC(=O)O)nc(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 49470262 FGEGRMYAMQBJOA-UHFFFAOYSA-N 438.531 1.042 0 40 IDAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)N(C)S(=O)(=O)N1 72335127 MHMVLTNLGWFNME-HUUCEWRRSA-N 431.440 1.966 0 40 IDAB COCCn1cc(CCCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc21 79490277 MAGWFKYPXRZSGI-UHFFFAOYSA-N 436.578 1.561 0 40 IDAB Cc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC(C)(C)C)N(C3CCCC3)C(=O)[C@H]24)no1 100436272 KSBRUNIMBIHUGB-QRBDFFOJSA-N 442.516 1.929 0 40 IDAB COc1cccc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@](C)(N=3)[C@H]2C(C)=O)c1O 100895692 UWCGRTIBAKTOBG-OKMVZEDWSA-N 436.489 1.989 0 40 IDAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(CC(N)=O)cc1 222760637 BELCDMYAKJVHRZ-UHFFFAOYSA-N 433.530 1.975 0 40 IDAB CC(=O)N[C@H]1CC2(CCN(C(=O)COc3cccc4c3OC(C)(C)C4)CC2)OC[C@]1(C)O 257260958 LFFAOPKATOZZDJ-CVDCTZTESA-N 446.544 1.816 0 40 IDAB O=C(NC[C@@]1(O)COCCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1)c1ccccn1 257299154 ROYDZTAMABYFAF-QFIPXVFZSA-N 439.447 1.244 0 40 IDAB Cc1n[nH]cc1C(=O)N1CCN(C)[C@@H](C(=O)N2CCC(Oc3ccccc3F)CC2)C1 257342939 ZQRQHELDVMFQDL-LJQANCHMSA-N 429.496 1.683 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccc(Br)cc1 409025640 VKKZINOYAPLNRS-UHFFFAOYSA-N 426.292 1.953 0 40 IDAB C[C@]1(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)OCCc2sccc21 1629053126 DTGAWVGBURJAGP-LZFQIVBZSA-N 432.517 1.996 0 40 IDAB O=C1CN(C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C(=O)N1CC(F)(F)F 1888866603 DDYRZCCGEFFYNS-UHFFFAOYSA-N 430.408 1.426 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 3372665 TTWDSKKFAHGHBP-IBGZPJMESA-N 434.470 1.900 0 40 IDAB CCC[C@H](C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N 4374132 LDZDPQVNCKALJP-UONOGXRCSA-N 437.566 1.673 0 40 IDAB O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)NN1C(=O)NC2(CCCCC2)C1=O 8004315 QBAGAXPAGQVOJA-UHFFFAOYSA-N 427.505 1.623 0 40 IDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1=O 8862199 LSKYFFKJYJUOKT-HXUWFJFHSA-N 429.502 1.792 0 40 IDAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N1CCNCC1)n2Cc1ccccc1 8892079 YJVGEBQODAYCPR-UHFFFAOYSA-N 430.512 1.403 0 40 IDAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCO)cc1Cl 9972059 JNBADBPAXRTSNY-UHFFFAOYSA-N 426.922 1.691 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)cc1 10059026 IXUPBPUMRXKOBJ-UHFFFAOYSA-N 431.923 1.555 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCC1=CCCCC1 11906086 HNRXKRDWPCPJGG-UHFFFAOYSA-N 428.532 1.931 0 40 IDAB Cc1nc(OC(C)C)cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 12225013 ZMHWPZZBLKBCCC-UHFFFAOYSA-N 434.518 1.854 0 40 IDAB CCCCn1c(=O)n(C[C@H](O)COc2ccc(CC)cc2)c(=O)c2c1ncn2CCOC 12805238 MSNQGRHMQJKPQV-SFHVURJKSA-N 444.532 1.809 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)[nH]c(=O)c2C1 19572693 HZKXHZSSSVDIHQ-CQSZACIVSA-N 434.493 1.247 0 40 IDAB COc1ccc(-c2nc([C@H]3CCCN(C(=O)CN4CCOCC4)C3)[nH]c2C(N)=O)cc1 19698892 FQCMMLUOJKGHGN-INIZCTEOSA-N 427.505 1.222 0 40 IDAB CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)S(=O)(=O)c3cccnc3)n2)CC1=O 19701023 XKHRRYNVARWYCJ-HNNXBMFYSA-N 432.550 1.483 0 40 IDAB COc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc(C)ncc2C(=O)N2CCOCC2)c1 19766739 WLPGBMFTYVSCKF-LJQANCHMSA-N 446.529 1.792 0 40 IDAB Cc1cccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)c1 22386126 GGYXOHWINWDPDB-UHFFFAOYSA-N 436.516 1.396 0 40 IDAB CCOC(=O)C1=C(CN2C(=O)c3ccccc3S2(=O)=O)NC(=O)N[C@H]1c1ccco1 27670737 TXRVYMOWGFLAMX-INIZCTEOSA-N 431.426 1.295 0 40 IDAB Cc1cc(=O)n2nc(CN3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)sc2n1 29142778 NJDCJFFNLQVABY-MRXNPFEDSA-N 427.486 1.086 0 40 IDAB CCN(CCc1ccccn1)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 48303812 ZIMMWSFFEHTFBL-UHFFFAOYSA-N 434.537 1.618 0 40 IDAB COc1cc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCC3)c2=O)cc(OC)c1 49409007 BIOROBNJFMJLAX-UHFFFAOYSA-N 435.502 1.679 0 40 IDAB Cc1c(C(=O)N(C)Cc2ccco2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 69810585 DFUMQUICABCLJM-UHFFFAOYSA-N 429.502 1.759 0 40 IDAB O=C(OCC(=O)N1CCCC1=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 89861184 OWBBEZDPSKJAEQ-UHFFFAOYSA-N 442.493 1.739 0 40 IDAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@@H](O)c4ccc5c(c4)CCO5)cc1c32 90610678 DUFCGTNFYFJYME-BFUOFWGJSA-N 435.480 1.806 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)CC1 108234356 ITXKVGIWOFZDGB-FDGPYGQJSA-N 440.496 1.783 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5cccnc5)[C@H]34)[C@@H]2C1=O 217620416 MLQZGIPLWFHGLW-LKHULZDBSA-N 443.506 1.389 0 40 IDAB Cc1nc2c(c(N3CCC(NC(=O)C4CCN(S(C)(=O)=O)CC4)CC3)n1)CCCC2 225738629 YFNPNOIXTXHIMY-UHFFFAOYSA-N 435.594 1.420 0 40 IDAB O=C(NC1CCCC1)c1cc([C@H]2CCCCN2C(=O)CCN2C(=O)CCNC2=O)n[nH]1 257264786 LWAFFJXORJIPPP-QGZVFWFLSA-N 430.509 1.468 0 40 IDAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)cc1 408614854 IWUAOKOOIJMUKS-IAGOWNOFSA-N 425.485 1.862 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCN(c3cc4c(nn3)CCC4)C2)cc1 585150101 AKCSURUOEOYJDQ-QGZVFWFLSA-N 429.546 1.188 0 40 IDAB C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1617374043 YDPMUDYQIPWYCY-BEFAXECRSA-N 442.491 1.478 0 40 IDAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)NC[C@@H]1COc2ccccc2O1 8756490 GQQPNLXKKDUAJM-MRXNPFEDSA-N 427.457 1.624 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc2c(c1)OCCCO2 9498629 LCHDMOHOYGTXGM-UHFFFAOYSA-N 433.486 1.433 0 40 IDAB NC(=O)C1CCN(C(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 9535781 XBTHNYCJLUVAES-DEOSSOPVSA-N 434.496 1.400 0 40 IDAB COCCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C 9745942 RUFNBGXODWSJPR-GOSISDBHSA-N 439.578 1.424 0 40 IDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)nc2n1 9961736 YODMFNURERUABM-UHFFFAOYSA-N 428.474 1.576 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)cc1 10113057 AGBWDFMPWOEDFL-UHFFFAOYSA-N 429.542 1.978 0 40 IDAB CC(C)(C)c1ccc(OCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OC[C@H]2CCCO2)cc1 12137043 WAODDSGIKJYOAQ-MOPGFXCFSA-N 432.517 1.802 0 40 IDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2nc3ccccc3s2)CC1 12567359 BZBCMWZOJCVERU-UHFFFAOYSA-N 427.530 1.805 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3F)CC2)cc1 12905306 YMYTZVZMQRQIMZ-UHFFFAOYSA-N 428.507 1.966 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)C2CCCC2)cc1 13502988 XPBNSBPZHOYZHR-UHFFFAOYSA-N 449.529 1.654 0 40 IDAB O=C(CN1CSCC1=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 14069662 ZYJBWWIUCGYOJP-UHFFFAOYSA-N 447.586 1.041 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 15956651 PPCAFGJIMNCBIO-IPROKWSXSA-N 435.480 1.305 0 40 IDAB biogenic O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCCCC1 17192528 WSRXKYCVDXXROA-UHFFFAOYSA-N 440.529 1.729 0 40 IDAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)CNC(C)=O)nc32)c1 19744264 QZUSKLQTHVIJSE-IBGZPJMESA-N 437.500 1.683 0 40 IDAB O=C(c1ccco1)N1CCN(CC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)CC1 34858822 WQOUWGPUGQJKNI-SFHVURJKSA-N 437.562 1.386 0 40 IDAB CCOC(=O)c1cc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc(C(=O)OCC)c1 36813863 ZLJIGIZCFKGSPP-MRXNPFEDSA-N 426.491 1.793 0 40 IDAB Cn1cc(-c2nc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)cs2)cn1 40145174 DZVKLNNECXNTGU-UHFFFAOYSA-N 438.579 1.422 0 40 IDAB CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 59118102 CRGXDGUYFHRIEZ-SFHVURJKSA-N 433.530 1.635 0 40 IDAB CS(=O)(=O)Nc1ccc(CNC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1 61226901 GUTSOHUONSOPLX-UHFFFAOYSA-N 445.589 1.675 0 40 IDAB O=C(COc1ccc(-n2cccn2)nn1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 90607744 HQQRWPUBWHVMRB-UHFFFAOYSA-N 449.519 1.170 0 40 IDAB COC(=O)[C@H]1CC(=O)NN(Cc2coc(-c3ccc(I)cc3)n2)C1 95452669 VPHMRSLBZFPLEF-NSHDSACASA-N 441.225 1.972 0 40 IDAB O=C(NCc1ccncc1)C1=NO[C@@]2(CCCN(S(=O)(=O)c3cccc(F)c3)C2)C1 96074432 SAMISGGITKHUHT-FQEVSTJZSA-N 432.477 1.837 0 40 IDAB O=C(c1ccccc1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 96251467 NBYLZUFWZXXIFH-RDPSFJRHSA-N 435.528 1.694 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@@H]12 107913756 XNXNWJFYULHZJU-SMTRIPRVSA-N 447.491 1.589 0 40 IDAB CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(C[C@@H]21)CN(C(=O)CN1C(=O)COCC1=O)C3 257277872 NZWCQZPDLPJJTG-MGPUTAFESA-N 448.903 1.803 0 40 IDAB COc1cccc(NC(=O)[C@H]2CN(C)CC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)c1 306130052 IVBZLQJIFCXLNC-LJQANCHMSA-N 427.505 1.373 0 40 IDAB COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)cc1OC 408650009 AEMRSKOAYMJCHR-HNNXBMFYSA-N 441.440 1.379 0 40 IDAB CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 409195815 SCRVTLNSBBSVOG-UHFFFAOYSA-N 426.535 1.801 0 40 IDAB O=C(NC[C@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1 3027765 ZKGZCIBJWSWYNI-MRXNPFEDSA-N 429.926 1.252 0 40 IDAB CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc(C)c(C)c2c1=O 3374311 RBDRYGVCXBHPRD-UHFFFAOYSA-N 435.531 1.049 0 40 IDAB COc1ccccc1C(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(C)cc1 3485079 OXRAQOMVNGDNBI-UHFFFAOYSA-N 434.470 1.172 0 40 IDAB CCC[C@H](C(=O)NC(C)(C)C)N(C[C@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N 4161173 QOWYTCQJABJKBW-VXGBXAGGSA-N 425.555 1.529 0 40 IDAB CCOCCn1c(N2CCN(C/C=C\c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 9714578 DGKNTBCAQQCWNA-YFHOEESVSA-N 438.532 1.295 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCCCN(C)C)cc1 9744793 HWWQEIDDRFEROM-SFHVURJKSA-N 438.594 1.112 0 40 IDAB Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)cnc21 12869224 PQHVFELQZSOXSE-QGZVFWFLSA-N 427.892 1.842 0 40 IDAB COCCn1nnnc1[C@H](c1ccccc1OC)N1CCN(C(=O)c2ccco2)CC1 13504272 SXUFGCMARCIIBQ-IBGZPJMESA-N 426.477 1.469 0 40 IDAB COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)NC1CC1 14853124 QHGJUWXFVKTLRB-UHFFFAOYSA-N 439.534 1.829 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16021919 CBFVFKZESBYWGA-CUYVQJCZSA-N 434.290 1.322 0 40 IDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16024494 OPNZIEVNEBUACP-MDOODBKZSA-N 436.306 1.349 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCO)cc1Cl 20005957 CCLZKQOANLXNOI-KRWDZBQOSA-N 426.922 1.737 0 40 IDAB COC(=O)c1cc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc(C(=O)OC)c1 20104783 FNLJHRHABALQMV-KRWDZBQOSA-N 448.453 1.426 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)CCc2ccc3ccccc3n2)cc1 21432281 GDFWZAIQCLWXBA-UHFFFAOYSA-N 427.482 1.674 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 35681082 RGXCIOQIRAIULY-UHFFFAOYSA-N 432.571 1.678 0 40 IDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ncnc5cc(Cl)ccc45)CC3)cc2[nH]1 36394442 FTGAEFFWJMAOKD-UHFFFAOYSA-N 444.904 1.964 0 40 IDAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 79021575 UFLBCWIOBBUGGT-CYBMUJFWSA-N 436.299 1.329 0 40 IDAB CC(C)(C)[C@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 79111444 JWZHGRKPLUOLLW-GOSISDBHSA-N 426.535 1.382 0 40 IDAB CC(C)Cn1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc2c1=O 79475799 RYJYOWACQOAJST-QGZVFWFLSA-N 431.558 1.602 0 40 IDAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)C2 90609661 JFWMRANYSQARLC-CQSZACIVSA-N 430.530 1.840 0 40 IDAB CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1 95436363 WJNBBVVJZNFXBU-DLBZAZTESA-N 433.553 1.866 0 40 IDAB Cc1cnc(C(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(Cc2ccc(Cl)cc2)S4(=O)=O)O3)cn1 96145971 RXYSCHXJNOIWAH-KPFFTGBYSA-N 448.932 1.636 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 100175262 BUQHFGFRUJETAR-DOWNOZBLSA-N 443.408 1.129 0 40 IDAB COc1cccc(-c2noc(CNC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 223418363 MWCFUELXRBOHDA-UHFFFAOYSA-N 446.485 1.836 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C)c1ccc(F)cc1 225044915 CTTHBQBMUWBKNP-UHFFFAOYSA-N 438.506 1.991 0 40 IDAB COC(=O)c1cc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc(C(=O)OC)c1 225401611 KHDPKRHZIALIHO-KRWDZBQOSA-N 434.470 1.831 0 40 IDAB CCc1ccc(NC(SCC(=O)N2CCOCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409379448 XTPXEIMHKIZBEM-UHFFFAOYSA-N 446.529 1.515 0 40 IDAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)N1CCC[C@H](CO)C1)C2 643575555 MCVDDIDRDUDPDZ-IBGZPJMESA-N 447.576 1.797 0 40 IDAB COc1ccc(-c2ncnc(N3CCN(C(=O)Cn4nc(C)ccc4=O)CC3)c2F)cc1 1775974841 SOUZXUHXQLJVFH-UHFFFAOYSA-N 438.463 1.505 0 40 IDAB CN(C)[C@@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(CN3CCOCC3)cc2)[C@H]1c1ccccc1 1848354197 LXWVYHLGQLMJEY-VJBWXMMDSA-N 436.556 1.890 0 40 IDAB COc1cccc2c1O[C@@]13CCCC[C@H]1[C@H]2[C@@H](S(=O)(=O)N1CCN(C)CC1)C(=O)N3 1888999957 CEWHUCYENCMFMD-OQKHSGFDSA-N 435.546 1.133 0 40 IDAB CCCNC(=O)N[C@@H]1C[C@H](C(=O)NCCOC)[C@@H](O)[C@H]1c1cnc(-c2ccccc2)[nH]1 2332241774 GCOWZZQZYZSYFR-QFHJOOASSA-N 429.521 1.382 0 40 IDAB CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](CCSC)C(=O)O 8876684 PZDCDLRIQOKDII-QEORTHHSSA-N 436.534 1.892 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccccc1F 9539739 FSDSIHDRGZRCQM-UHFFFAOYSA-N 436.461 1.951 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)COc2ccccc2)CC1 9570159 KVSNKWDNUVGMFU-UHFFFAOYSA-N 433.530 1.342 0 40 IDAB Cc1cnc(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)s1 9576005 VNWISMPTDQBTNX-CYBMUJFWSA-N 440.522 1.746 0 40 IDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 9613385 WVOJGZOPQXOXND-HNNXBMFYSA-N 435.483 1.319 0 40 IDAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 11858251 LOYLQDITCXWHBF-GFCCVEGCSA-N 437.499 1.758 0 40 IDAB CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 11998522 UKHKZNYCHLGFAH-CQSZACIVSA-N 431.580 1.398 0 40 IDAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(CN2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 12818843 WSUHYJQBKAOVNX-CRAIPNDOSA-N 436.530 1.390 0 40 IDAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1C 12992171 IVLHUCBRZJZNFI-UHFFFAOYSA-N 449.529 1.964 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)CC2)cc1C 13006300 UQJITIGPZARKFT-PXNSSMCTSA-N 437.587 1.590 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)[C@@H]3COc4ccccc4O3)CC1)C2=O 13059125 ZFSAVJLWRDLRAX-DWVUQKNYSA-N 442.516 1.429 0 40 IDAB CCCCN(C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 13074325 HGEWSHZCWFCOKO-DYESRHJHSA-N 435.546 1.660 0 40 IDAB COCCNC(=O)[C@@H](c1ccc(F)cc1)N(CCOC)C(=O)Cn1nnc2ccccc21 13508325 DSGGIHKZAPWUHV-OAQYLSRUSA-N 443.479 1.549 0 40 IDAB O=C1NCCN(C(=O)COc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164461 AIHJNWUEUXXXSI-OAQYLSRUSA-N 436.512 1.131 0 40 IDAB COc1cc(CN(C2CC2)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC(F)F 15358395 LVYVRFWZBNOGGW-UHFFFAOYSA-N 445.444 1.047 0 40 IDAB COc1ccc(CN2CCc3c(nc([C@@H]4CCN(S(=O)(=O)C(C)C)C4)[nH]c3=O)C2)cc1 19451006 ROZHPDXRMITQPJ-QGZVFWFLSA-N 446.573 1.864 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)[C@H](C)Cn3cccn3)CC1)C2=O 19700668 OHXSMKVAOBXNRH-GOSISDBHSA-N 444.580 1.554 0 40 IDAB COc1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc1 22908840 FDTKXODSAKAIOW-UHFFFAOYSA-N 444.557 1.804 0 40 IDAB C[C@H]1CN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1 23509129 SOTMWPZMBGAXQR-IRXDYDNUSA-N 441.569 1.842 0 40 IDAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccccc1S(=O)(=O)N1CCOCC1 24985478 SYPQRZWWCRFLIO-UHFFFAOYSA-N 431.470 1.916 0 40 IDAB COC(=O)c1sccc1NC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 25219344 ZOBQKNGGNHUNDY-UHFFFAOYSA-N 430.552 1.805 0 40 IDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 30519792 WMWNMDJBIAPPCU-UHFFFAOYSA-N 433.512 1.796 0 40 IDAB Cc1ccccc1-n1cnnc1SCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 36386028 KKGPTQJRINLVPH-UHFFFAOYSA-N 428.562 1.434 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)CC1 57713737 GQDSVYZCGYLHLR-UHFFFAOYSA-N 434.484 1.821 0 40 IDAB O=c1[nH]c(=O)n(CC/C(O)=N/S(=O)(=O)c2c(Cl)nc3ccccn23)c2ccccc12 58102424 RRBLXPUPNHXEPR-UHFFFAOYSA-N 447.860 1.726 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 67287280 DKRQKINHNVBLQS-GOSISDBHSA-N 434.468 1.771 0 40 IDAB CN1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)C3CN(Cc4ccccc4)C3)n2)CC1=O 72352034 FRCQKWNYVBKENN-GOSISDBHSA-N 436.560 1.579 0 40 IDAB COCCN(CCOC)C(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1CC1CC1 96037727 HVGRIYHQDRJHOL-UHFFFAOYSA-N 443.548 1.927 0 40 IDAB CC(C)n1c(C(=O)NCCN2CCOCC2)nc2c1CCN(C(=O)c1ccccn1)C2 96147130 FNQZMXQWHHRECR-UHFFFAOYSA-N 426.521 1.120 0 40 IDAB COc1cccc(N2C(=O)[C@H]3C=C[C@@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C[C@H]3C2=O)c1 100930650 XQNXNMMTUFNFLS-YZGWKJHDSA-N 446.463 1.702 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)ccc1OC 224731805 URFPWFZAQICMNW-UHFFFAOYSA-N 447.557 1.756 0 40 IDAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 225713778 KSWHARRWCHFFRD-RUZDIDTESA-N 449.507 1.809 0 40 IDAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc(=O)n(C)c(=O)n4C)C3)o2)cc1 257217834 DAVCKOLDDAFJPN-INIZCTEOSA-N 438.484 1.691 0 40 IDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)C2)[nH]n1 540328608 OAMHDZAKUHAMIU-WOCWXWTJSA-N 436.516 1.555 0 40 IDAB CC(=O)c1cc(C(=O)NC[C@@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)n[nH]1 2055754799 VYWJQHDNAXMHPJ-HNNXBMFYSA-N 436.472 1.147 0 40 IDAB COCCNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NCCOC)cc2)cc1 3017726 ZUQIUGHMRBOIEI-UHFFFAOYSA-N 444.531 1.328 0 40 IDAB CC(C)(O)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 8298847 LCQRYAPCJLNMCW-ZACQAIPSSA-N 427.505 1.261 0 40 IDAB biogenic,in-vitro COc1ccc(N2CCn3c2nn(CC(=O)NCc2ccc(F)cc2)c(=O)c3=O)cc1 8849209 OKDMJPFNWAPUBI-UHFFFAOYSA-N 425.420 1.021 0 40 IDAB Nn1c(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F 8878888 JDARESWBYCPPQA-SNVBAGLBSA-N 427.474 1.061 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccncc1 8971026 UTOOWVLLAXVFOA-KKSFZXQISA-N 438.484 1.620 0 40 IDAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cc(=O)n2ccsc2n1 9174517 CDWWHHBTQQUKNA-UHFFFAOYSA-N 434.499 1.218 0 40 IDAB COc1ccc(C(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 9600537 QGDLXWREUVYOAV-SFHVURJKSA-N 431.876 1.580 0 40 IDAB Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C1CC1 9765340 WSRNTUIJSXLEID-UHFFFAOYSA-N 437.547 1.673 0 40 IDAB C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O 12517465 ARDNVYDPDIAYKS-GAJHUEQPSA-N 443.548 1.852 0 40 IDAB C[C@H](OC(=O)[C@@H](C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 12767388 UHEIRMRCKHGZAA-CLWVCHIJSA-N 428.441 1.668 0 40 IDAB COc1ccc(CCN2C[C@H](C(=O)N3CCN(C[C@H]4CCCO4)CC3)CC2=O)cc1OC 13057573 KICCUAVDOSGOOB-WOJBJXKFSA-N 445.560 1.418 0 40 IDAB Cc1ccccc1-c1nnn(CC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)n1 14142379 ABUZBKADVJUFFY-GOSISDBHSA-N 425.514 1.864 0 40 IDAB CCc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1 15935822 FEJDNFJGJKXZSD-SSEXGKCCSA-N 426.502 1.859 0 40 IDAB CCc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 15958404 SQGPABFIJDWYSY-DQFFEPAOSA-N 449.507 1.559 0 40 IDAB biogenic O=C(CN1C(=O)c2ccccc2S1(=O)=O)OCc1cc(=O)n2cc(Cl)ccc2n1 19357607 VKPSPJOHUKIBJV-UHFFFAOYSA-N 433.829 1.236 0 40 IDAB CN(C)S(=O)(=O)N1CCc2c(nc([C@H]3CCCN3C(=O)c3cccc(F)c3)[nH]c2=O)C1 19583828 YZAQWNZMIDFNOO-QGZVFWFLSA-N 449.508 1.051 0 40 IDAB COc1ccc(NC(=O)c2cnc([C@@H]3CCCN(C(=O)CNC(C)=O)C3)nc2C)cc1 19765441 MFLIJJXMIDXPKC-MRXNPFEDSA-N 425.489 1.888 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 20566221 OIKKBCRHDHEIBE-CROMWVBPSA-N 439.899 1.950 0 40 IDAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(c2ccccc2F)CC1 20721738 NCJUTFNYXTXQJJ-UHFFFAOYSA-N 437.475 1.502 0 40 IDAB CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 21464211 LCKVSFZGJSUUES-UHFFFAOYSA-N 441.822 1.347 0 40 IDAB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 22797178 QTGHIIINIARRPK-HXUWFJFHSA-N 438.528 1.445 0 40 IDAB CC(C)Cn1c(CCC(N)=O)nnc1SCCC(=O)NC(=O)NCc1ccccc1 23007090 PRTZGBLDVFXRHX-UHFFFAOYSA-N 432.550 1.860 0 40 IDAB CCOC(=O)c1c(C)oc2nc(COC(=O)CNS(=O)(=O)c3ccccc3)nc(N)c12 23076830 AXLSYRDVSQHFFK-UHFFFAOYSA-N 448.457 1.312 0 40 IDAB COc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1 23805989 QTDPKYJNRLGTHB-JOCHJYFZSA-N 441.440 1.653 0 40 IDAB CCCn1c(N2CCN(C(=S)NC(C)=O)CC2)nc2cc3c(cc2c1=O)OCCO3 28558676 DECBFFHUQNRGIZ-UHFFFAOYSA-N 431.518 1.121 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 32780669 JINXFUKNXMPJEC-NXEZZACHSA-N 429.347 1.306 0 40 IDAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)c1 33023756 YOCWDOYFYKPVSS-HNNXBMFYSA-N 432.458 1.423 0 40 IDAB O=C(c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 33028334 PEKWXEMBVPWZPH-CGTJXYLNSA-N 440.587 1.804 0 40 IDAB Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3-n3cccn3)CC2)cn1C 58105056 YWTAYCAUMUMLGM-UHFFFAOYSA-N 428.518 1.954 0 40 IDAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4cccnc4)[C@@H]3CO)cc2)n(C)n1 72321257 AMESWTJJNJZLJL-IFMALSPDSA-N 435.484 1.837 0 40 IDAB biogenic,in-vitro CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](n1cnc3c(N)nc(N)nc31)[C@@](C)(O)CO2 257220906 DMSSAEJSSRYMKG-BUXKBTBVSA-N 433.513 1.473 0 40 IDAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)CCN3C(=O)CCNC3=O)[C@H]1CCCC(=O)N2 257228932 FVXZUAHYBUNIOH-STSQHVNTSA-N 426.517 1.589 0 40 IDAB CNc1cc(N2CCC[C@@](O)(CNCc3ccc(OCCOCCO)cc3)C2)ncn1 257274639 NLYJSXFVRLVTFZ-JOCHJYFZSA-N 431.537 1.027 0 40 IDAB O=C1N(Cc2ccccc2)CC=CC[C@@]12CN(Cc1cnc(N3CCOCC3)nc1)CCO2 257302040 SBEDQTZBRWZTNJ-RUZDIDTESA-N 449.555 1.873 0 40 IDAB O=C(NCCCn1ccnc1)C1=NO[C@@]2(CCCN(Cc3ncc(C(F)(F)F)[nH]3)C2)C1 585101081 BQWQOQXSVODNQO-SFHVURJKSA-N 439.442 1.942 0 40 IDAB CN1CCN(C(=O)CCn2ccc(O)nc2=O)[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 585169015 MFIIBGDZJIMIGC-NRFANRHFSA-N 446.507 1.918 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNC2(c3ccc(F)cc3)CCCC2)C1 585290518 BZNAAIOBHZFVJC-IRLDBZIGSA-N 434.533 1.981 0 40 IDAB O=S(=O)(N1CCCCCC1)N1CC[C@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888901050 QPYRMZQLTMXCFL-ZDUSSCGKSA-N 448.471 1.965 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)cc1 1888904411 WKKFATBDRSFMCL-HDICACEKSA-N 441.557 1.813 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(c5ccc(C(F)(F)F)nn5)C[C@H]4C3)ncnc21 1888913555 FSWNLWQOIWGBGE-STQMWFEESA-N 434.426 1.854 0 40 IDAB Cc1c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2114310 UQZGQPSBIROLEM-LBPRGKRZSA-N 425.825 1.021 0 40 IDAB biogenic Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 3361912 LQLZZLCAAQVNDL-OAHLLOKOSA-N 439.921 1.662 0 40 IDAB COC(=O)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 5028653 FWKUJTQARCPILV-QZTJIDSGSA-N 428.441 1.657 0 40 IDAB Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3CC(=O)C(C)(C)C)n(C)c1=O 8710203 DAWLUYMOHHPCNK-UHFFFAOYSA-N 426.452 1.412 0 40 IDAB COc1cc(OC)c(N2C[C@@H](C(=O)N3CCN(C(=O)C4CC4)CC3)CC2=O)cc1Cl 8745986 NQHHZRXNAMARRK-AWEZNQCLSA-N 435.908 1.791 0 40 IDAB CCN(CC)C(=O)Cn1c(=O)n(CC(=O)NCc2cccs2)c(=O)c2sccc21 9186361 MXHLUYBETVQTPQ-UHFFFAOYSA-N 434.543 1.471 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccc(F)cc1 9477232 FABFWRPBJOPIJF-SJORKVTESA-N 426.452 1.144 0 40 IDAB O=C(COc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9570010 ZIBYJGOKWRGMAR-UHFFFAOYSA-N 439.484 1.612 0 40 IDAB CC[C@]1(C)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O 9690607 YLEPQPZMSPJYNW-SFHVURJKSA-N 442.925 1.492 0 40 IDAB CS(=O)(=O)NC1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 9853407 HBSYZUPAKLHGMV-UHFFFAOYSA-N 432.340 1.109 0 40 IDAB CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 10601367 NZCFUTSVEQNACS-ZDUSSCGKSA-N 434.470 1.575 0 40 IDAB C[C@H](C(=O)N[C@@H]1CN2CCC1CC2)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 12085991 AXRNCBUBDSKAOW-NFHUAXAMSA-N 425.533 1.150 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)CC1 12389469 OVLRPZPCIGWGJH-SFHVURJKSA-N 426.517 1.002 0 40 IDAB Cc1cc(C)c2c(c1)[C@@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15967484 HBCVETSGEQSJJA-UJAPCULTSA-N 446.507 1.142 0 40 IDAB biogenic Cc1n[nH]cc1C(=O)N1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19759442 CIXBALSJSNRSBM-OAQYLSRUSA-N 435.484 1.952 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 20610503 PPCAFGJIMNCBIO-XYTYDFFKSA-N 435.480 1.305 0 40 IDAB COc1ccc(NS(=O)(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1OC 21010285 LNHYBGHJTABLAP-AWEZNQCLSA-N 429.520 1.678 0 40 IDAB O=C(CN1CCN([C@H](C(=O)N2CCOCC2)c2ccccc2)CC1)Nc1ccc(F)cc1 22800371 CHNKIYLCTFJPPQ-QHCPKHFHSA-N 440.519 1.982 0 40 IDAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134248 LKMBMMUAXBYOKJ-KRWDZBQOSA-N 449.490 1.499 0 40 IDAB O=C(c1ccccc1Nc1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 31248090 DDWJAXLBIBPKPZ-UHFFFAOYSA-N 430.530 1.765 0 40 IDAB O=C(Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2)c1ccc2c(c1)OCCO2 32615362 ZYMQPGGRHWAZLU-UHFFFAOYSA-N 430.420 1.607 0 40 IDAB O=C(NCCCn1ccnc1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36355035 ZDPYBEDRXAIDAE-QGZVFWFLSA-N 445.545 1.227 0 40 IDAB Cn1c2c(c(=O)n(C)c1=O)[C@](O)(c1cccc(Br)c1)N=C1SC=CN1C2 36358869 XGVGMDHZAGFBOI-QGZVFWFLSA-N 435.303 1.430 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1)C(=O)OC 36589821 ZUWJYCHFZLPDJI-APWZRJJASA-N 430.461 1.570 0 40 IDAB biogenic Cc1cccc(OC[C@H](O)Cn2c(NCc3cccnc3)nc3c2c(=O)[nH]c(=O)n3C)c1 37866247 UVUCPMGCGBBZTN-MRXNPFEDSA-N 436.472 1.179 0 40 IDAB CC1=NN(c2ccc(C(=O)N3CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)cc2)CC1 48262646 LMEIHNGPXSYQSU-QZTJIDSGSA-N 449.577 1.384 0 40 IDAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48299671 LRUNNPBZUVBQMS-IBGZPJMESA-N 428.533 1.954 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN(C)Cc1ccccc1N1CCOCC1)n2C 62579967 IRJULRMELHRISV-UHFFFAOYSA-N 440.548 1.692 0 40 IDAB COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)CC1=O 71890996 QVFYHMPVXRZPOJ-CZUORRHYSA-N 438.484 1.338 0 40 IDAB O=S(=O)(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2c(c1)OCCCO2 96025887 RDGHBWKALDAWIO-UHFFFAOYSA-N 430.548 1.330 0 40 IDAB CCC[C@@]1(C(=O)OC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 96295841 YITHMDNOIAFBJL-DVSDUFGPSA-N 434.489 1.690 0 40 IDAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C(OC(C)=O)OC(C)=O)C=C[C@]3(C)O2)cc1 100339646 MWDJUKCLWRCKSS-YAKVFXAGSA-N 443.408 1.267 0 40 IDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCCC[C@H]1C 102322865 IDRLYBCJLIDUMH-CYBMUJFWSA-N 436.505 1.824 0 40 IDAB Cc1cc(S(N)(=O)=O)ccc1OCC(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257275722 NQQIDKOTRWPVQP-FPOVZHCZSA-N 434.514 1.452 0 40 IDAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCCN4CCCC4=O)[C@H](O)[C@@]3(O)[C@@H]1C2 257296303 RCDUNLXMPUTPSS-IKEZHLFISA-N 444.528 1.726 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccccc2C)cc1 408627684 OSIAOYNKBIXBDW-UHFFFAOYSA-N 431.558 1.947 0 40 IDAB CC(C)(C)c1ccc2nnc(C3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)n2n1 1888888476 VEFYMZMORQXAFG-UHFFFAOYSA-N 448.593 1.799 0 40 IDAB O=C(Cn1cnc2ncccc2c1=O)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888897504 LBAGKYPXODKYCD-ZIAGYGMSSA-N 444.417 1.800 0 40 IDAB COc1ccc(C)cc1C(=O)NC[C@H]1OC[C@@H](n2ccc(O)nc2=O)[C@@H]2OC(C)(C)O[C@@H]21 2037977738 AXMSIKUAMXTRQV-SKWUIDRYSA-N 445.472 1.156 0 40 IDAB Cn1c(=O)c2c(nc3n2Cc2c(Cl)cccc2N3CCNC(=O)C2CCC2)n(C)c1=O 1352337 KMKHXECWPJCDPT-UHFFFAOYSA-N 442.907 1.503 0 40 IDAB CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N[C@H](C)c2ccccc2)c1=O 3360628 SNAHMRNJWXSVQY-MRXNPFEDSA-N 429.521 1.106 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(N3CCN(c4ccccc4Cl)CC3)nc2)CC1 3457263 ANHBLOCSVAHNCS-UHFFFAOYSA-N 435.981 1.998 0 40 IDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCN1CCN(c2ccccc2)CC1 8990889 DRMMOQYCAQNGRE-UHFFFAOYSA-N 435.532 1.505 0 40 IDAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 9166694 BIBGUABFIANBRR-VIFPVBQESA-N 435.437 1.303 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 9245611 IPNGKNNXPXEUDT-IBGZPJMESA-N 445.541 1.601 0 40 IDAB O=C(OCc1cc(=O)n2ccsc2n1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9637822 WCJLZGDYBCNOLT-LBPRGKRZSA-N 427.438 1.624 0 40 IDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)c1 9690059 KOAAGYHJPRCJAP-JTQLQIEISA-N 446.938 1.538 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n(-c4cc(C)ccc4OC)c(C)c(C)n23)n(C)c1=O 9713122 NPKRXVSXYWBRAT-UHFFFAOYSA-N 425.445 1.245 0 40 IDAB O=C([C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)c2ccccc2O1)N1CCOCC1 9743061 DPSWFESFZSWUOF-KRWDZBQOSA-N 440.481 1.111 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2ccccc2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 9974857 KJHQVFWBNCVROC-XIYVOTBMSA-N 437.445 1.030 0 40 IDAB C[C@@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCO1 11502459 WZQMQOUCDBQONJ-OAHLLOKOSA-N 443.953 1.200 0 40 IDAB Cc1nc(C)n(CCC(=O)N2CCC[C@]3(C2)CN(S(C)(=O)=O)Cc2ccccc2O3)n1 12087186 LDLHFJYOMAJVTN-NRFANRHFSA-N 447.561 1.500 0 40 IDAB Cc1cccc(N2C(=O)N[C@@](NS(=O)(=O)c3ccc(N)cc3)(C(F)(F)F)C2=O)c1 12462781 ALQNJCRWJGXTCV-INIZCTEOSA-N 428.392 1.871 0 40 IDAB COc1ccc(CNC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OC 12691734 ISJPCFBAGOXDRP-HZPDHXFCSA-N 430.457 1.205 0 40 IDAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)NC(=O)NCc3ccccc3)C2=O)cc1 12801648 HYRUKVPXDKFVGB-QHCPKHFHSA-N 438.484 1.964 0 40 IDAB COC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)CC1 13371961 GDFWWUHATLKVOA-HOTGVXAUSA-N 435.951 1.164 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@H]1c1ccccc1 15936999 OEXFLALDYXPMMB-FQEVSTJZSA-N 438.484 1.909 0 40 IDAB COc1ccccc1NC(=O)Cc1noc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 16695309 JQKAOBZHEZYVKC-KRWDZBQOSA-N 429.477 1.083 0 40 IDAB COc1ccc(N2C[C@H](C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 17011520 VPOFVGDOSRDAKT-ZBFHGGJFSA-N 432.502 1.551 0 40 IDAB CC1(C)C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 19460344 QOADAUHCXYYUPW-ROUUACIJSA-N 448.527 1.970 0 40 IDAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCCN1CCOCC1 19696587 IPRWBWSENPGOLY-HSZRJFAPSA-N 426.517 1.714 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccc(C)cc3)C1)C2=O 19699665 GJBPXUMAHOUWEK-IBGZPJMESA-N 440.544 1.852 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccccc2)cc1 19797311 YAPIIHFWTQMZSU-PMACEKPBSA-N 436.555 1.417 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1 19935679 WFIJHOBBLLKXAC-UHFFFAOYSA-N 427.479 1.510 0 40 IDAB OCCN(CCO)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 19939990 NTFIXEKMMYPNIY-UHFFFAOYSA-N 429.546 1.746 0 40 IDAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 20033039 ZDMSRIWTOOBQPL-UHFFFAOYSA-N 439.559 1.094 0 40 IDAB OCCN1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCC4)CC1 20391699 VACQYJGMWIXCLR-UHFFFAOYSA-N 440.573 1.679 0 40 IDAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 23078868 QKQMXVUCZHOTHO-CQSZACIVSA-N 441.488 1.436 0 40 IDAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(S(=O)(=O)c3cccs3)CC1)C2=O 23703329 JBHXEWKJRVXYEO-KSSFIOAISA-N 426.564 1.513 0 40 IDAB COC(=O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(SCC(=O)N3CCOCC3)nc2c1 24789113 LOTSSRNYQDDBAW-OAHLLOKOSA-N 447.513 1.313 0 40 IDAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 32957608 DTXWXNUKSCOJED-CQSZACIVSA-N 437.474 1.496 0 40 IDAB O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 48278519 IROXBXLUHXQRAT-KGLIPLIRSA-N 434.436 1.280 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)NCc2ccccc2)CC1 56938858 PVHAYIIJVBMAKU-FQEVSTJZSA-N 445.589 1.298 0 40 IDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cccc(-n3cc(Br)cn3)c2)C1 58313592 XRJZBPXFVYAWTO-AWEZNQCLSA-N 427.324 1.789 0 40 IDAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1CC(=O)Nc1ccc(Cl)cc1 72333339 VJRHGZKOSHVAQR-UHFFFAOYSA-N 428.836 1.811 0 40 IDAB CCOC(=O)c1cc(Br)cc(Cl)c1NC(=O)CN1C(=O)C(=O)N(C)C1=O 78869214 XVFKVUDBTQZQRZ-UHFFFAOYSA-N 446.641 1.638 0 40 IDAB O=C(c1cccnc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1cccc(Cl)c1)S3(=O)=O)O2 96145979 GKFCMTFJGMBNJI-HBFSDRIKSA-N 433.917 1.933 0 40 IDAB CN(CC(=O)N1CC[C@H](c2cc(O)n3nc(C(C)(C)C)cc3n2)C1)[C@@H]1CCS(=O)(=O)C1 100147154 HVMRCDUMECBZTM-LSDHHAIUSA-N 449.577 1.167 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cc(C(=O)OC)ccc21 100876237 IEPSYDSHMPQPHF-YIYXVTKBSA-N 442.449 1.930 0 40 IDAB CNC(=O)c1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5ccccc5[C@@H]4[C@@H]3C2=O)cc1 107166031 WOBLPFFOUXIMJB-HLLBOEOZSA-N 435.461 1.524 0 40 IDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)N1CCC(n2c(=O)oc3ccccc32)CC1 247948176 RSLIZHXGUAWWAG-GQVGJHKUSA-N 447.491 1.811 0 40 IDAB CNC(=O)c1ccc(-c2cccc([C@@H]3CN(CCC(=O)N4CCOCC4)CCO3)n2)cn1 257215836 CRWPEQUZXJNAJE-NRFANRHFSA-N 439.516 1.125 0 40 IDAB Cn1ccc(NC(=O)CN2CCC[C@H]2c2ccnc3c(C(=O)NC4CCCC4)cnn23)n1 257331163 XRRFBQNCBROUKX-KRWDZBQOSA-N 436.520 1.911 0 40 IDAB Cc1nc(-c2ccc(S(=O)(=O)NCc3nc(N(C)C)nc(N4CCCC4)n3)cc2)co1 575606271 HCPSJCRFRIMSQW-UHFFFAOYSA-N 443.533 1.980 0 40 IDAB CC(=O)N1CC[C@H]2NC(=O)CNC(=O)C3(CCCC[C@H]2C1)CCN(c1ncccn1)CC3 1615526199 PRVBOCPQGUXLFP-RBUKOAKNSA-N 442.564 1.107 0 40 IDAB Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)CN)CC1 2037884004 MXNCIZAQAWYOCY-UHFFFAOYSA-N 430.549 1.361 0 40 IDAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(I)c(O)c(OC)c1 683707 CGUUSQFBHXCWTM-LLVKDONJSA-N 434.255 1.971 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2ccccc2F)c(=O)[nH]c1=O 3345950 GSHQSHZXEXNSBG-UHFFFAOYSA-N 426.448 1.680 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)c(C)n23)n(C)c1=O 8708907 BOMKLGZMPSZXJM-UHFFFAOYSA-N 425.445 1.327 0 40 IDAB CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c3=O)cc1 8849404 OQXDXXVQHHENBP-UHFFFAOYSA-N 443.410 1.872 0 40 IDAB Cc1cc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)no1 9519658 UWNLKLGETCUKKR-UHFFFAOYSA-N 430.486 1.973 0 40 IDAB NC(=O)c1ccsc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9988906 YKKAWOONQQJODF-LLVKDONJSA-N 445.453 1.153 0 40 IDAB Cc1cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1 10233359 GWKPEXPBDHSARX-UHFFFAOYSA-N 435.463 1.932 0 40 IDAB CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(N3CCN(C)CC3)c3c2CCC3)c1 10255131 VYWHBUUMRKYATE-UHFFFAOYSA-N 441.557 1.549 0 40 IDAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)COc1ccc(C)cc1)CC2 10705462 QQEYUURDDBNNPD-UHFFFAOYSA-N 448.541 1.895 0 40 IDAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCc2ccc4c(c2)OCO4)c3=O)cc1 12234126 GEVCACXQKHLJDA-UHFFFAOYSA-N 435.440 1.847 0 40 IDAB COCC(=O)N1CCN(C(=O)c2cn(C(C)C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 16839043 JOBGCHBGTHOHIS-UHFFFAOYSA-N 437.500 1.651 0 40 IDAB Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)N1CCN(c2ccccc2F)CC1 19235985 YZUWHRAJOZIAEC-UHFFFAOYSA-N 440.479 1.705 0 40 IDAB COc1ccccc1CNC(=O)c1cc(C2CCN(C(=O)CN3CCCC3=O)CC2)no1 19570801 RRDCMSWTOCWOOU-UHFFFAOYSA-N 440.500 1.942 0 40 IDAB CN1CCN(C(=O)c2cc([C@H]3CCN(C(=O)c4cnn(C)c4)C3)nc3ccccc23)CC1 19756946 BIIQPVBPQSKLOL-KRWDZBQOSA-N 432.528 1.986 0 40 IDAB COc1ccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1OC 20494279 JQTVGODULOXPBZ-UHFFFAOYSA-N 425.482 1.772 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)CC1 20922030 QCBVVENOHBRVHO-UHFFFAOYSA-N 434.543 1.892 0 40 IDAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 22798069 FFDLOQGXEWIHQZ-UHFFFAOYSA-N 430.940 1.575 0 40 IDAB C[C@@H](NC(=O)C1CC1)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 32778301 ICVVXMZVYFGXMV-CYBMUJFWSA-N 442.438 1.583 0 40 IDAB COc1ccc(CCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 32818414 CUJWMSRVGWPECQ-CALCHBBNSA-N 425.551 1.126 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)c1 35598091 UOJGCZPQKITFRY-UHFFFAOYSA-N 444.517 1.499 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 36365630 WQDVAYHAHHYPHS-HNNXBMFYSA-N 444.513 1.887 0 40 IDAB NC(=O)NC(=O)COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 39612159 YNBMRWSFFYZQOZ-QGZVFWFLSA-N 442.859 1.901 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O 40086512 SAXLEIFTTHSKPB-BISSLNBESA-N 426.517 2.000 0 40 IDAB CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 44963427 JBVVDXJXIDYDMF-BBWWMIROSA-N 446.540 1.688 0 40 IDAB C[C@H]1C[S@](=O)CCN1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 72308402 FGTZRRPWEONOOD-PWFNWSNSSA-N 448.010 1.906 0 40 IDAB C[C@@H]1CN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cc(Cl)ccc2N3)C[C@@H](C)O1 72325984 QUKFNSMZKULVHM-LKBUQDJMSA-N 434.924 1.840 0 40 IDAB COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)C(C)C)cc1 79016156 HVSCCXLPZWQVBW-GIMINZRKSA-N 430.505 1.286 0 40 IDAB Cc1cc(N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nc(C2CC2)n1 79061606 BYCQFDXONHLXNM-UHFFFAOYSA-N 437.566 1.734 0 40 IDAB O=C1COc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc5[nH]cnc5c4)CC3)cc2N1 95394265 MBDULTYRANRJFF-UHFFFAOYSA-N 441.469 1.041 0 40 IDAB CCOC(=O)N1CCc2nn(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)cc2C1 96105727 FYYKCMGOKBVWCF-UHFFFAOYSA-N 443.479 1.246 0 40 IDAB Cc1cccc(CN2CCn3c(nn(CC(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)c1 98213156 PNHPIJLYLPSZGQ-UHFFFAOYSA-N 439.903 1.979 0 40 IDAB O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)NCc1ccco1 101484191 MQQXUVIGTLWIJR-CALCHBBNSA-N 433.530 1.797 0 40 IDAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC[C@H]1C 102216438 DUBQOIFSALCGIN-GJYPPUQNSA-N 438.546 1.805 0 40 IDAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 219269469 DXFSOVUAVQISMV-ZDUSSCGKSA-N 427.552 1.665 0 40 IDAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2)CC1 225272976 FYIUTCWUHSZREA-LJQANCHMSA-N 445.541 1.334 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCN4CCCC[C@H]4C3)CC2)Oc2ccccc21 248009596 VFIMUNHSQGGMEF-GAJHUEQPSA-N 426.517 1.214 0 40 IDAB NC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)CCS(=O)(=O)c1ccc(F)cc1 257336885 YQKWHCGQSXYCJJ-HXUWFJFHSA-N 447.532 1.230 0 40 IDAB Cc1c(C(=O)NC[C@H]2CCN(C)C2)sc2ncc(C(=O)NC[C@@H]3CCN(C)C3)cc12 522832418 KIFVFILRRPAQJH-JKSUJKDBSA-N 429.590 1.968 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)NCc3nc(N(C)C)nc(N4CCCC4)n3)CC2=O)cc1C 575607444 UCAFWLCPRPKHKU-QGZVFWFLSA-N 437.548 1.824 0 40 IDAB CN1CCN(C(=O)CCn2ccc(O)nc2=O)[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 585169016 MFIIBGDZJIMIGC-OAQYLSRUSA-N 446.507 1.918 0 40 IDAB CC(=O)N1CCC(CC(=O)NCCc2nc(C)no2)(N2Cc3ccccc3C2=O)CC1 1548348839 SKQIQLAUJCBDAO-UHFFFAOYSA-N 425.489 1.464 0 40 IDAB CC(C)n1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C 932577 JGXLAOHMOXVKQW-UHFFFAOYSA-N 430.486 1.761 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(C)c(C)c2)n(C)c1=O 4386343 DGGBKUNIGHOBNA-CYBMUJFWSA-N 425.489 1.864 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C4CC4)CC3)CC2)c1 8728330 QDKJEDSDVVZXMY-UHFFFAOYSA-N 447.557 1.371 0 40 IDAB O=C(NC1=NCCS1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 9118198 SEQJLQNILBRMCR-UHFFFAOYSA-N 438.575 1.530 0 40 IDAB CN1C(C(=O)N2CCOCC2)=C(OC(=O)c2ccccn2)c2ccccc2S1(=O)=O 9134631 CGOWWTJMBUURHO-UHFFFAOYSA-N 429.454 1.100 0 40 IDAB COc1ccc(NC(=O)Cn2ccn(Cc3ccccc3OC)c(=O)c2=O)c(OC)c1 9405628 MSAIBMBVYDNZIQ-UHFFFAOYSA-N 425.441 1.723 0 40 IDAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 9561831 CYGRZBZNIICLGK-UHFFFAOYSA-N 442.497 1.991 0 40 IDAB CCOc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)cc1 9677886 ODOVYERIUQZOFP-UHFFFAOYSA-N 438.444 1.556 0 40 IDAB Cn1cc(Cl)c([C@H]2CCCCCN2S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)n1 12159732 AAJOKHAJTKTAON-OAHLLOKOSA-N 437.909 1.909 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)CC1 12389470 OVLRPZPCIGWGJH-GOSISDBHSA-N 426.517 1.002 0 40 IDAB Cc1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1-c1ccc(F)c(F)c1 12573058 BRKJDACXSFOIRV-UHFFFAOYSA-N 446.439 1.783 0 40 IDAB COc1ccc(C(=O)COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(OC)c1 12883347 FVPREYGDSYDQED-UHFFFAOYSA-N 432.454 1.559 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1=O 13114782 DIZAXOSJRISAMW-QFIPXVFZSA-N 438.440 1.120 0 40 IDAB Cc1csc2nc(COC(=O)CCCNC3=NS(=O)(=O)c4ccccc43)cc(=O)n12 13128734 FAHZYJWBOKAJLC-UHFFFAOYSA-N 446.510 1.627 0 40 IDAB COc1cc(C(=O)NCC(=O)OCC(=O)NCCC2=CCCCC2)cc(OC)c1OC 13140093 MFPJMOBPGSTBTP-UHFFFAOYSA-N 434.489 1.992 0 40 IDAB COc1ccc(NC(=O)[C@H](c2ccc(OC)cc2)N(C)C(=O)C[C@H]2NC(=O)NC2=O)cc1 13146695 GRYCXMKNKLYEBT-MJGOQNOKSA-N 440.456 1.440 0 40 IDAB COc1ccc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)cc1Br 14807666 JRRWUCAHCRZPHW-UHFFFAOYSA-N 434.308 1.855 0 40 IDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)NC(=O)NCCc3cccs3)c(=O)c12 19432379 XWGHODUEFZHNGM-UHFFFAOYSA-N 432.458 1.605 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCN(C(=O)c4ccccc4F)C3)[nH]c(=O)c2C1 19572706 IVJDNSQCIFFJCL-ZDUSSCGKSA-N 434.493 1.247 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@H](c2nc(O)c3c(n2)CCN(Cc2cccs2)C3)C1 19583669 SLRUEWCPNPXBIH-AWEZNQCLSA-N 437.591 1.788 0 40 IDAB Cc1nc(C2CCN(C(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)CC2)ncc1C(N)=O 19766609 OXQCITTYOHNNMN-UHFFFAOYSA-N 436.516 1.413 0 40 IDAB CN(CCc1ccccn1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)Nc1cccc(Cl)c1 20465899 QDOBHIQBNNACQA-FUMNGEBKSA-N 434.924 1.520 0 40 IDAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)CC2)cc1 23053435 HSBSAWJASSSERF-JOCHJYFZSA-N 444.509 1.700 0 40 IDAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23272328 MHUSHGXSPFFVAC-GFCCVEGCSA-N 442.877 1.320 0 40 IDAB O=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1)NC1CC1 25148350 BWQHNHCVGBVFAW-UHFFFAOYSA-N 429.502 1.512 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1C 35351365 KPPRKVXDTWNCDD-UHFFFAOYSA-N 443.529 1.418 0 40 IDAB COc1ccc(CCN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 55408454 ODVVGDFJWVSFSW-RBUKOAKNSA-N 430.526 1.761 0 40 IDAB CCCCCC(=O)NOCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 58026562 KLGDNMCUMQXHPU-UHFFFAOYSA-N 447.941 1.928 0 40 IDAB COc1ccc(CN2C[C@H](C(=O)N(C)C)[C@]3(COc4ccccc4C(=O)N3)C2)cc1OC 72334333 PQHZXYYCEFIBEC-HOYKHHGWSA-N 439.512 1.785 0 40 IDAB COCCn1nnn(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c1=O 77100159 XPWGTHMZHQDKAV-UHFFFAOYSA-N 443.407 1.895 0 40 IDAB C[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 223858513 LQCNMAUDXBDBPZ-AWEZNQCLSA-N 439.559 1.824 0 40 IDAB CCN(CC(=O)Nc1cc(S(=O)(=O)NC)ccc1C)S(=O)(=O)c1ccccc1 226054061 ZWHMYUSDOZHQJX-UHFFFAOYSA-N 425.532 1.552 0 40 IDAB CC1(C)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)CC[C@]2(C)c3cc(F)ccc3OC[C@H]12 257230718 GDPPIAVMMJHPBC-UBWMCOQISA-N 426.481 1.097 0 40 IDAB CCn1ccc(C(=O)N2CCN(C)[C@@H](C(=O)N3CCC(COc4ccccn4)CC3)C2)n1 257329781 XLNCPZAZVNVIFW-HXUWFJFHSA-N 440.548 1.372 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)cc1 408653544 ILFXMYYQVLDJPR-MRXNPFEDSA-N 425.441 1.679 0 40 IDAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)O)cc2)C1=O 409246741 DAISXGYAHXTKMV-MHWRWJLKSA-N 425.397 1.690 0 40 IDAB C[C@@H](NC(=O)CCc1ccccc1)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 507457994 SEQCSFPVTMCFBO-IEBWSBKVSA-N 435.532 1.594 0 40 IDAB C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)CCn1cc(C(N)=O)c(O)nc1=O 1588004489 NPFLOYBBBIQYCV-VIFPVBQESA-N 441.257 1.087 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(c5ncc(Br)cn5)C[C@@H]4C3)ncnc21 1888913841 SNVTVXSLPGUDOL-STQMWFEESA-N 445.325 1.598 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 2626126 CXEJKKKUUOKMLO-UHFFFAOYSA-N 428.850 1.800 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 2643953 PQPAQNVEXPHZSK-UHFFFAOYSA-N 430.529 1.230 0 40 IDAB CCOC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)c1 6198423 LKFNXXUSJBDKMS-UHFFFAOYSA-N 445.501 1.361 0 40 IDAB COc1cccc(C(=O)NCCn2ncc3c(N4CCOCC4)nc(SC)nc32)c1 8947136 MBFOXQRCGBGVPR-UHFFFAOYSA-N 428.518 1.823 0 40 IDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 8966285 XOYRBMFFGXHMPR-UHFFFAOYSA-N 432.889 1.723 0 40 IDAB O=C(O)[C@@H](CCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 9065038 QVQQYVHBVKGSMN-QEJQJRPWSA-N 438.480 1.224 0 40 IDAB COc1ccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)n2)cc1 9194239 RFGNEYRYDRHKHA-UHFFFAOYSA-N 430.486 1.991 0 40 IDAB CCCn1c(N)c(C(=O)CNc2ccc(I)cc2)c(=O)n(C)c1=O 9368924 KKIVBSJKUVYMBS-UHFFFAOYSA-N 442.257 1.439 0 40 IDAB CC(C)CN1C(=O)NC(=O)[C@]2(Cc3c(nc4ccccn4c3=O)N3CCCCC[C@@H]32)C1=O 9448847 SFSFCPFIULJWDS-WAIKUNEKSA-N 437.500 1.720 0 40 IDAB O=C([C@@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)c2ccccc2O1)N1CCOCC1 9579958 KEPFPYYBUJRTCT-FQEVSTJZSA-N 434.452 1.050 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)cc1 9857412 UTVQZHLNWLRUGF-UHFFFAOYSA-N 432.440 1.770 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)cc1 12116012 QDEDIQZNRJBYMV-ZDUSSCGKSA-N 426.520 1.340 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCc2ccccc2)cc1 12140197 OIBNXAHYQZNKOS-HXUWFJFHSA-N 445.541 1.207 0 40 IDAB COC[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(CCN(C)C)C2=O)C1 12166506 WIMWKHGBFMDMTC-HXOBKFHXSA-N 433.524 1.659 0 40 IDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 12531985 SSYYPEMPGBAZTI-HUUCEWRRSA-N 446.510 1.834 0 40 IDAB C[C@@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 12535917 RJIHXKFLEKJBHO-GFCCVEGCSA-N 425.484 1.890 0 40 IDAB CC(C)CNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12543059 RYIVRDNDJVFNJI-UHFFFAOYSA-N 443.497 1.251 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)n(C)c1 12749865 MYVAGXXGLZZSIT-UHFFFAOYSA-N 433.317 1.951 0 40 IDAB O=S(=O)(c1ccc(S(=O)(=O)N2CCCc3cccc(F)c32)cc1)N1CCOCC1 12787834 VATVXJGDVPGUOH-UHFFFAOYSA-N 440.518 1.988 0 40 IDAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 13041781 KYGQHFSUKXKKNQ-IIBYNOLFSA-N 435.546 1.397 0 40 IDAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(OC)cc3)c(=O)n12 13361633 VHLUQZNUIQOUOE-SQWKQDNASA-N 436.489 1.868 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1cccc(Cl)c1 13640132 UZFVUFJOAJVKQP-DLBZAZTESA-N 442.907 1.658 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](NC(N)=O)c3ccccc3)CC2)cc1C 14345682 NMLGUXGLHUXDTO-HXUWFJFHSA-N 444.557 1.936 0 40 IDAB O=C(COC(=O)[C@H]1CCCO1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 16043852 SSQCSENNUJVQDO-OAHLLOKOSA-N 432.882 1.022 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)CC1 19520265 AVOMLZSYSOGUSY-UHFFFAOYSA-N 432.546 1.691 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CCc3ccccc3)[nH]c2=O)C1 19572883 WEZQGGXHKPFZRL-IBGZPJMESA-N 444.557 1.774 0 40 IDAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)CN3CCOCC3)CCO2)cc1 19692823 KXMSQSWPNIGFCN-HXUWFJFHSA-N 441.532 1.450 0 40 IDAB Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1 19749356 YISNLUGYSKVEBK-UHFFFAOYSA-N 439.491 1.926 0 40 IDAB COc1ccc([C@@H](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)NC(C)=O)cc1 23463482 SCFMWADHXBBVHJ-LJQANCHMSA-N 437.504 1.288 0 40 IDAB CNS(=O)(=O)c1ccc(Br)c(C(=O)NCCNC(=O)c2ccco2)c1 26313313 BPGYAOUIUSTKFH-UHFFFAOYSA-N 430.280 1.110 0 40 IDAB CCCN(CCC)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 27270841 NGXUPIQBTDDNEO-UHFFFAOYSA-N 427.567 1.659 0 40 IDAB O=C(O)CN1C(=O)S/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 27570997 JBMMYZJFAYTSEH-SXGWCWSVSA-N 429.454 1.621 0 40 IDAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(N3CCNC3=O)CC1)C2=O 40156034 HGGADINORZISII-UHFFFAOYSA-N 447.580 1.920 0 40 IDAB CCn1cnnc1CNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 58264917 VWENKUYUHMIIIQ-GOSISDBHSA-N 437.522 1.079 0 40 IDAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2ccc(-n3cnnn3)cc2)cc1F 95449630 PPBPKLIPNSXGLX-UHFFFAOYSA-N 441.466 1.721 0 40 IDAB CC(=O)[C@@H](C)n1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 96306522 BULFMPUTFMBINH-CYBMUJFWSA-N 428.468 1.035 0 40 IDAB COC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)c2ccccc2O1 225928288 QCJHLTIZAVJKKK-GOSISDBHSA-N 432.498 1.891 0 40 IDAB CC(=O)N[C@@H](CCCCN)C(=O)N(C)CC1(O)CCN(c2ccnc3ccncc23)CC1 257239519 HPSHRXSBCULNTK-FQEVSTJZSA-N 442.564 1.053 0 40 IDAB Cn1nc([C@@H]2CN(S(=O)(=O)N3CCCC3)CCO2)cc1CCOc1ccc(F)cc1 257331753 XUCQRRVOWGVZLJ-FQEVSTJZSA-N 438.525 1.895 0 40 IDAB CS(=O)(=O)N1CCC[C@@]12CCN(CC(=O)Nc1ccc(Br)cc1)C[C@@H]2O 257332336 XWVLNUIXXAGJIY-RDJZCZTQSA-N 446.367 1.248 0 40 IDAB CN1CCn2c(C(=O)NCCc3ccccc3)nnc2C12CCN(c1ncccn1)CC2 306123834 AYCNPBKDBPFTQW-UHFFFAOYSA-N 432.532 1.482 0 40 IDAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 524729069 BMMJPIJFAFIPGM-FUMNGEBKSA-N 438.528 1.399 0 40 IDAB biogenic CCc1c(C(=O)N(C)[C@@H](c2ccccc2)c2nc[nH]n2)cnc2c1c(=O)n(C)c(=O)n2C 1570180191 FXDSVDWXEJWRQI-KRWDZBQOSA-N 433.472 1.174 0 40 IDAB CCCn1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C 880950 VGLOKHLAJCEORF-UHFFFAOYSA-N 427.530 1.915 0 40 IDAB CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 2618319 RSBOIRZRNUJSKP-UHFFFAOYSA-N 431.536 1.316 0 40 IDAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1ncccn1 3264790 YSNWJLPTOUVSOS-QPJJXVBHSA-N 433.515 1.024 0 40 IDAB CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Br)cc1 8934499 VELLQBKHOJLNSX-SNVBAGLBSA-N 441.307 1.348 0 40 IDAB NC(=O)c1nn(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(=O)c2ccccc12 9591811 IDHHBWLLFKBQRN-UHFFFAOYSA-N 433.468 1.807 0 40 IDAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@H]4CC(=O)N(Cc5cccnc5)C4)C3)cc2n1 12088729 KBQIKJBZLNKRSP-ROUUACIJSA-N 434.500 1.893 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccccc3)CC2)cc1 12777155 BFWUGRBUTCHKFE-UHFFFAOYSA-N 446.529 1.028 0 40 IDAB C[C@@H](Nc1ccc(C(N)=O)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 13062764 UEDOKEJQHGPLFT-CQSZACIVSA-N 432.502 1.246 0 40 IDAB O=C(COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)NC1CC1 13146435 HYBYIMHLJHYVNK-HZPDHXFCSA-N 439.468 1.402 0 40 IDAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O 13147759 BHMMMCLXUJLZNJ-LJQANCHMSA-N 436.371 1.674 0 40 IDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13701009 KULQEKGJMYNGFE-CQSZACIVSA-N 436.472 1.847 0 40 IDAB O=C(C1CC1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CN3CCCCCC3)[nH]c2=O)C1 19014939 PVPPGAIRRURJPV-FQEVSTJZSA-N 441.576 1.994 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCN3C(=O)C3(c4ccccc4)CC3)[nH]c2=O)C1 19572939 GBWLURQKRYEJLZ-SFHVURJKSA-N 442.541 1.483 0 40 IDAB COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 19819968 GCLPGWSNGVEGRJ-GOSISDBHSA-N 434.514 1.818 0 40 IDAB COc1cc2ncn(CC(=O)NCC(=O)N[C@@H](C)CCCC(C)C)c(=O)c2cc1OC 20761606 RMUHLEMICPSUOT-HNNXBMFYSA-N 432.521 1.861 0 40 IDAB biogenic COc1ccccc1N1C[C@H](C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1=O 21560912 UNGBADRRAZUBAM-OAHLLOKOSA-N 428.489 1.419 0 40 IDAB O=c1[nH]c(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc2sc(-c3ccccc3)cc12 22927173 UBPRSQMCXMQBNT-MRXNPFEDSA-N 444.582 1.956 0 40 IDAB COc1ccc(CN2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)c(OC)c1OC 24096879 JTPRYMCKORBEMQ-UHFFFAOYSA-N 438.484 1.907 0 40 IDAB COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 25066738 NRPCESUPFDAEIF-MRXNPFEDSA-N 439.516 1.888 0 40 IDAB O=C(CN1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1)Nc1ccccc1 29965625 SDAMFUQIKFAVOL-UHFFFAOYSA-N 436.564 1.833 0 40 IDAB O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)cc1 32938318 GFRVNRGCXWXBMO-SFHVURJKSA-N 436.472 1.876 0 40 IDAB CC[C@H](C)NC(=O)COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 36187313 KEYARWKTIRYGHH-HNNXBMFYSA-N 442.534 1.754 0 40 IDAB COc1cccc(CNC(=O)Cn2nc3n(c2=O)-c2cc(Cl)ccc2C2=NCCN23)c1 72348106 CJCOPLLNPFZJSF-UHFFFAOYSA-N 438.875 1.593 0 40 IDAB O=C(Nc1nc2c(s1)CN(C(=O)Cn1c(=O)oc3ccccc31)CC2)[C@H]1CCCO1 77192044 XYLHRDCYBFKFEM-OAHLLOKOSA-N 428.470 1.753 0 40 IDAB O=c1n(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)nc(C2CC2)n1-c1ccccc1 77198165 XNUGHKAQMOYRMD-UHFFFAOYSA-N 442.497 1.661 0 40 IDAB COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c(O)nc2ccccn2c1=O 96115746 OODYZWFYFUCWCM-GFCCVEGCSA-N 435.392 1.665 0 40 IDAB biogenic CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc(O)c4c(n3)CN(S(C)(=O)=O)CC4)C2)CC1 100239084 HPTBOHXUSOYWJN-KFWWJZLASA-N 438.550 1.021 0 40 IDAB Cc1cc(C)c2c(c1)[C@]1(N[C@@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 105379590 RPQFRVHPUSVADI-XISCYFFVSA-N 433.508 1.647 0 40 IDAB biogenic CN1CCN(c2ccc(NC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 223841862 LFYHMFAEAFMNII-UHFFFAOYSA-N 432.546 1.852 0 40 IDAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225464834 FGOLTAKZHJPBMA-INIZCTEOSA-N 443.525 1.773 0 40 IDAB Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3Br)CC2)cn1 225596886 ANHGSSKFZQBSHJ-UHFFFAOYSA-N 427.324 1.719 0 40 IDAB NC(=O)[C@@H]1CCCN(c2nc(N3CCOCC3)nc3c2CCN(Cc2ccccc2)C3)C1 247709509 HUGBQUOCMUGJMX-LJQANCHMSA-N 436.560 1.573 0 40 IDAB Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)c(OC[C@@H](N)C(C)C)c1 257214200 CKZOPNOTEATGMM-SQNIBIBYSA-N 437.537 1.063 0 40 IDAB Cn1ccc(C(=O)N2C[C@H]3[C@@H](C2)Oc2ncccc2S(=O)(=O)N3Cc2ccccc2)n1 306133715 MTLZEXAFEGBPJF-ZWKOTPCHSA-N 439.497 1.292 0 40 IDAB Cc1nnc2c(N3CC[C@H](NS(=O)(=O)c4ccccc4OC(F)(F)F)C3)nccn12 575414558 KHIQPWSBAQEQLL-LBPRGKRZSA-N 442.423 1.889 0 40 IDAB COCC(=O)N1CCN(CC2(O)CCCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 585285015 BKUAYCSGVFLLOG-QFIPXVFZSA-N 442.503 1.561 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC2(C[C@H](NCc3cccnc3)CS2)C1 2056224843 YUBQGOXKZFMLJN-INIZCTEOSA-N 433.555 1.891 0 40 IDAB Cc1cccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2)c1 2192530 BWEKLYWSBNAZDB-FQEVSTJZSA-N 444.369 1.974 0 40 IDAB Cn1c(=O)c2c(nc(N[C@@H](Cc3ccccc3)C(=O)O)n2Cc2ccccc2)n(C)c1=O 2194152 WRTUNDXZORICHG-KRWDZBQOSA-N 433.468 1.590 0 40 IDAB CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)COCC(=O)O)C1 4237224 TVZKYUQGRKQTGD-FUHWJXTLSA-N 439.512 1.624 0 40 IDAB biogenic,in-vitro O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 8879038 WUMNREVMXPFOPJ-KRWDZBQOSA-N 428.474 1.372 0 40 IDAB CC(C)C[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)N[C@@H](CCC(N)=O)C(=O)O 8994527 VVQCJRVCVSBQBU-KBPBESRZSA-N 433.465 1.054 0 40 IDAB biogenic COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C 9508378 RIPBYLDKIUPARM-UHFFFAOYSA-N 447.469 1.263 0 40 IDAB CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)NC1 12847298 ANJUWEFFJWMWJN-UHFFFAOYSA-N 429.473 1.520 0 40 IDAB COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)cc1OC 13371286 KNOYMAXRKSDFSC-LPHOPBHVSA-N 425.528 1.433 0 40 IDAB NC(=O)C1CCN(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19406638 IMQZEASHJRWNCR-QGZVFWFLSA-N 429.546 1.749 0 40 IDAB Cc1nc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)ncc1C(=O)NCc1ccccc1 19763463 JRPUFFUENMJCNR-FQEVSTJZSA-N 437.544 1.753 0 40 IDAB CCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 19940539 JKSPEXCDALAKKD-UHFFFAOYSA-N 446.573 1.718 0 40 IDAB CN(c1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1)S(C)(=O)=O 20488022 AXMCTBUTWZUBJO-QGZVFWFLSA-N 439.515 1.248 0 40 IDAB COc1ccc(CCNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)cc1 20744303 DZPNSOWYJMERMJ-UHFFFAOYSA-N 447.513 1.541 0 40 IDAB C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(Cl)c1 22357420 PCSYJHPJXBMLFY-RISCZKNCSA-N 441.893 1.376 0 40 IDAB COC(=O)C1CCN(C(=O)Cn2nc(C(=O)N3CCOCC3)cc2-c2cccs2)CC1 23142136 ZGTBUUDUIHBVEU-UHFFFAOYSA-N 446.529 1.496 0 40 IDAB O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24610270 LEBZSTPOYRQHHU-UHFFFAOYSA-N 427.542 1.206 0 40 IDAB CCOc1ccc(OC[C@H](O)CSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)cc1 32751190 UZEHGMNLJJAIRN-KBPBESRZSA-N 427.548 1.648 0 40 IDAB Cc1c(C(=O)N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 40012247 SKWUOQPHBWOANJ-CQSZACIVSA-N 435.546 1.197 0 40 IDAB O=C(NCCS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)o1 40154847 YIJBSOHEXFYBPY-UHFFFAOYSA-N 426.516 1.658 0 40 IDAB NC(=O)CN1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 58130757 GEGHUCFGKDZONY-CQSZACIVSA-N 426.439 1.120 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@@H](O)[C@H]4CCCC[C@@H]43)CC2)Oc2ccccc21 72326149 FITYWQWDWQCQAH-IYBGNGRRSA-N 441.528 1.670 0 40 IDAB CC(C)c1cc(NC(=O)C(=O)NCC[S@@](=O)Cc2ccccc2)n(-c2ncccn2)n1 95985781 CBTJHHOIGPYIRE-HKBQPEDESA-N 440.529 1.789 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCc3nc(N4CCOCC4)nc(N(C)C)c3CC2)cc1F 96083914 FVVOVRJQDCHSPI-UHFFFAOYSA-N 449.552 1.616 0 40 IDAB Cc1cc(C(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(Cc2ccc(Cl)cc2)S4(=O)=O)O3)no1 96145970 UHLWVVRHCWBHKN-AYBZRNKSSA-N 437.905 1.834 0 40 IDAB COc1ccc(/C=C/C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1OC 224330032 BKNLHQPQLYKIIK-GQCTYLIASA-N 439.516 1.692 0 40 IDAB COc1cc(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc(OC)c1OC 252501118 UCSOAVHUAGOUOF-UHFFFAOYSA-N 428.489 1.843 0 40 IDAB CC(C)N1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)[C@H](C(N)=O)C1 257201057 AGABTFRPUTVNKU-INIZCTEOSA-N 427.471 1.723 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575422096 MEOAWNKAIDYAJI-HZPDHXFCSA-N 426.516 1.374 0 40 IDAB CCn1cc(S(=O)(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)nc1C 1888866783 PAABUABGGLMSIN-STQMWFEESA-N 430.456 1.777 0 40 IDAB COc1cnc(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NC5CCCC5)n4CC3)C2)nc1 2055785299 RJTSMFQPRVMLKB-JOCHJYFZSA-N 439.520 1.618 0 40 IDAB CC(C)CNC(=O)NC(=O)COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 3367067 DJVYSQKNDRPJJQ-QRWLVFNGSA-N 437.493 1.741 0 40 IDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1nc(-c2cccnc2)nc2ccccc12 8686489 JHGNZRLRBYOTKT-INIZCTEOSA-N 425.514 1.821 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)C(=O)Nc3cccnc3)C2)cc1 9061130 RKROALPLRCQAJD-JKSUJKDBSA-N 446.529 1.634 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(-n2cnnn2)cc1 9481755 URKLDMAJVJWLND-CYBMUJFWSA-N 444.473 1.129 0 40 IDAB CCCc1cc(O)nc(SCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)n1 11438147 NIQQWMQVDPKYHT-FQEVSTJZSA-N 445.501 1.734 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 12917842 QNTPZGCVKIRKNE-UHFFFAOYSA-N 425.470 1.010 0 40 IDAB CCCCN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 13574161 UXKZVKPESZJUQE-VBWZGLGNSA-N 436.306 1.350 0 40 IDAB CO[C@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3nn(C)cc3-c3cccnc3)CC2)C1 19290257 WODFPIDSSSRFTD-AEFFLSMTSA-N 447.561 1.520 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCN(S(=O)(=O)c3ccc(F)cc3)C1)C2=O 19700777 RACOYXHSZRLLBV-INIZCTEOSA-N 438.525 1.385 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(F)cc3F)CC2)cc1 22733016 JAAXRZNEJJNNQI-UHFFFAOYSA-N 439.484 1.710 0 40 IDAB CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCC(N)=O)c(OC)c3)CC2)cc1 25468120 NXZVOSHJWSOFDJ-UHFFFAOYSA-N 425.485 1.720 0 40 IDAB CCn1c(SCC(=O)N2CCOCC2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 32579274 JHSHPEBZWMQLPN-HNNXBMFYSA-N 447.561 1.677 0 40 IDAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 32817392 JAWDFYRKFKPOEN-IBGZPJMESA-N 448.520 1.508 0 40 IDAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 36385495 FVHJCERDBFBNCS-UHFFFAOYSA-N 429.905 1.764 0 40 IDAB COc1ccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)c(OC)c1 44791388 DEIHBVDWWMMCHQ-UHFFFAOYSA-N 425.532 1.773 0 40 IDAB Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 60376701 HURKEVANQYGMEI-UHFFFAOYSA-N 445.885 1.968 0 40 IDAB CCOC(=O)c1csc(NC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)n1 96124170 XGXAFPXDKLTFFB-UHFFFAOYSA-N 428.478 1.546 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 222413643 TYDDRQUVOCQUBV-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB Cc1n[nH]c(SCCNC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)n1 222648520 XMPZZCSPQFTXKS-UHFFFAOYSA-N 439.563 1.621 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222861054 JVBKBDZMIQBTLB-LZQZEXGQSA-N 427.501 1.500 0 40 IDAB CC(C)(C)c1ccc(CN2CC[C@@H](O)[C@@H](O)[C@H](N3CCOCC3)C2)c(OCC(=O)O)c1 257266072 MBLLEOIBGKNTMF-KNKQGSTJSA-N 436.549 1.076 0 40 IDAB COc1ccc(-c2cccc([C@H]3CN(CC(=O)N4CCC(C(N)=O)CC4)CCO3)n2)cc1 257275959 NRSVQKZGJOREED-JOCHJYFZSA-N 438.528 1.854 0 40 IDAB CN1CCN(C(=O)Cc2ccc(NCc3ccc(S(N)(=O)=O)c(Cl)c3)cc2)CC1 630063342 ZATSLOKNSYPBAD-UHFFFAOYSA-N 436.965 1.916 0 40 IDAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)N1CCC[C@H]1CO)C2 643576182 SCIDOFRZGQHPSB-IBGZPJMESA-N 433.549 1.550 0 40 IDAB O=C(Cn1cnc2ccccc21)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@@H]2C1 1549161633 NQXMVPLDDMFJAQ-IBGZPJMESA-N 437.500 1.471 0 40 IDAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCO2 3247562 QEKKAZYLRCBBMX-UHFFFAOYSA-N 448.453 1.232 0 40 IDAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N[C@H]1CS(=O)(=O)C[C@@H]1O 8764457 QYEJYNLGGVATQN-ROUUACIJSA-N 429.450 1.113 0 40 IDAB biogenic O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)c1ccc2c(c1)OCCO2 9000942 YMUXWACMCPILQK-UHFFFAOYSA-N 430.420 1.656 0 40 IDAB COc1ccc(CCn2c(C)cc(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2C)cc1 9125103 OSVLDDLGUYRLOC-UHFFFAOYSA-N 449.511 1.986 0 40 IDAB Nc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1 9335285 GGCCLTQQEYHOSR-UHFFFAOYSA-N 449.967 1.525 0 40 IDAB COCCCN(C(=O)c1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9507508 RYOFQVRCPBZFSH-UHFFFAOYSA-N 426.448 1.990 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccccn2)c1 9715701 SHVMMHMZWAEKEL-SFHVURJKSA-N 430.530 1.284 0 40 IDAB COc1cc(NC(=O)Cn2ccn(-c3ccc(OC)c(OC)c3)c(=O)c2=O)cc(OC)c1 9808701 LBCKJWKYDSFTGO-UHFFFAOYSA-N 441.440 1.672 0 40 IDAB CCn1c(SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)nnc1-c1cccc(C)c1 12887608 ICCFBHSLIYBKPN-UHFFFAOYSA-N 442.589 1.788 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc1 13039289 GKSBYEFPZOUUQQ-UHFFFAOYSA-N 434.543 1.580 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1nnc2ccccc2c1=O 15192883 UMUYMUIWFHQNDF-UHFFFAOYSA-N 444.289 1.960 0 40 IDAB Cc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1CCN1CCOCC1 19201014 CWNDNMIQRNPCSL-RMKNXTFCSA-N 448.527 1.503 0 40 IDAB COc1ccc(S(=O)(=O)N(C)Cc2nc([C@@H]3CC(=O)N(C)C3)cc(N(C)C)n2)cc1C 19700999 QPDMUDXZBCAQAQ-OAHLLOKOSA-N 447.561 1.626 0 40 IDAB CNc1nc(C2CCN(C(=O)[C@@H](C)CN3CCOCC3)CC2)nc2c1CCN(C(C)=O)C2 19710842 RKWVDUCHWFNLHM-INIZCTEOSA-N 444.580 1.097 0 40 IDAB Cc1c(Cl)cccc1N1CCn2c1nc1c2c(=O)n(CCN2CCOCC2)c(=O)n1C 20533360 QZOZGHNOORGAAE-UHFFFAOYSA-N 444.923 1.342 0 40 IDAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 22332796 XFAYJMSHILPKGG-CQSZACIVSA-N 440.543 1.742 0 40 IDAB CCOC(=O)CNC(=O)COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O 22807543 WTZRKZDYBBGJAH-UHFFFAOYSA-N 443.500 1.016 0 40 IDAB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccc(OC)c2)N2CCOCC2)cc1 23107106 HNDAHJSTJDNEND-NRFANRHFSA-N 427.501 1.510 0 40 IDAB Cc1ccn2c(CN3CCN(C(=O)CNC(=O)c4ccc5c(c4)OCO5)CC3)c(C)nc2c1 24762198 CVBDKNBIVFFOFX-UHFFFAOYSA-N 449.511 1.754 0 40 IDAB COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc(C(N)=O)nn3)cc2)c(OC)c1OC 32926648 RUXZATPVKBQRAJ-GFCCVEGCSA-N 425.445 1.883 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(C)cc2C)c1=O 32958178 XIUIUTJHQGCNCN-UHFFFAOYSA-N 429.521 1.484 0 40 IDAB O=C(NCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2)c1c[nH]c2ccccc2c1=O 48299910 GZZXMMAXIGWKSU-GOSISDBHSA-N 434.500 1.940 0 40 IDAB CC(C)NC(=O)Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCCC[C@@H]2C)c1=O 49402412 LTZYXDNSLOUZPO-HNNXBMFYSA-N 440.500 1.835 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CCOC)c(=O)c2sccc21 57485936 GZKJXQWIRUPMCZ-UHFFFAOYSA-N 431.470 1.687 0 40 IDAB CC[C@@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 57517753 DMQBJQRBCCUDSL-HKOQEMOESA-N 442.512 1.617 0 40 IDAB O=C(Cn1cnc2nc(N3CCOCC3)ncc2c1=O)NCc1ccc(C(F)(F)F)cc1 62006740 HZERBNAAGKXBEK-UHFFFAOYSA-N 448.405 1.358 0 40 IDAB C[C@@H](C(=O)NCCCN1CCOCC1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327616 OVXSFRDJNVSIEU-UUOWRZLLSA-N 443.544 1.630 0 40 IDAB CCn1nc([C@H](C)C(=O)NCCn2nnn(-c3cccs3)c2=O)c2ccccc2c1=O 72341026 DLDMMNAMIFSQMG-ZDUSSCGKSA-N 439.501 1.140 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccc(F)cc1)c(=O)n2CC(=O)N1CCC[C@H](C)C1 72396458 JCOAADMYMCPVKN-LBPRGKRZSA-N 426.452 1.387 0 40 IDAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@@H](c1ccccc1)N1CCC(O)CC1 95348900 FWNXBCOPSLSZKY-JOCHJYFZSA-N 443.569 1.693 0 40 IDAB C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)cc21 100969412 WLDQEENCJRLNMB-NWDGAFQWSA-N 434.543 1.823 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1N1C(=O)CCC1=O 225140882 ISCGPILOHHDUJK-UHFFFAOYSA-N 429.498 1.860 0 40 IDAB COc1ccc(NC(C)=O)cc1CNC(=O)CN1CCC[C@@](C(N)=O)(c2ccccn2)C1 257231802 GIGQIPPTRUUNFM-QHCPKHFHSA-N 439.516 1.184 0 40 IDAB COc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)cc1 408614886 JGUITBLWPNFMLR-CVEARBPZSA-N 441.484 1.563 0 40 IDAB COc1cc(CNC[C@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OCCCN(C)C 585270659 ALYBLGBFJZTLPF-HSZRJFAPSA-N 429.565 1.855 0 40 IDAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)n1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1 599121065 FPWXRXDXPYXKHG-KXBFYZLASA-N 435.488 1.545 0 40 IDAB O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CN2CCN(c3ccccn3)CC2)C1 643550783 XJUGBEAMPZJYQI-NZQKXSOJSA-N 444.963 1.424 0 40 IDAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1=O 643556054 GFDHSCXQZYXVOM-QHCPKHFHSA-N 431.533 1.374 0 40 IDAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CCC[C@@H](OCC4CC4)C3)cn2)CC1 681772407 GXALAHXGFRMCJY-GOSISDBHSA-N 437.566 1.586 0 40 IDAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@@H]3C2)nn1 1888890055 CBLMXZWMFIGJIK-IRXDYDNUSA-N 435.594 1.340 0 40 IDAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCCC3)[nH]c2=O)cc1OC 2712588 YSMALFWPYUPJGW-UHFFFAOYSA-N 433.490 1.336 0 40 IDAB O=C(CN(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccccc1 4374863 DDUXSCVKVNJZMM-LJQANCHMSA-N 445.541 1.289 0 40 IDAB Cc1nn(S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1S(=O)(=O)N1CCOCC1 8755107 RMDVHSKEGGDTRU-UHFFFAOYSA-N 443.547 1.545 0 40 IDAB C[C@H](CNC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 8790708 QTKREROYBHNMOS-RQFWIUKLSA-N 434.533 1.851 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)OCC(=O)N2CCCc3ccccc32)nc1N 8826306 HGPGAAIJLLOWTC-UHFFFAOYSA-N 430.486 1.850 0 40 IDAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccncc1 9061104 DXYQTHMBFDPHGN-GJZGRUSLSA-N 434.493 1.765 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)NCCc1cccs1)c(=O)n2Cc1ccccc1 9156726 CAHZQCSPQFXQFW-UHFFFAOYSA-N 437.525 1.848 0 40 IDAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 9218371 SPASYDSRAQJQDN-JXFKEZNVSA-N 441.557 1.884 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 9450244 NOKJVMXWDMWPBJ-HOCLYGCPSA-N 439.468 1.598 0 40 IDAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 9477760 YHHSKENGDSAZDS-KRWDZBQOSA-N 431.445 1.863 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)s1 9942541 UTVAXHWNFBLRNM-UHFFFAOYSA-N 438.579 1.600 0 40 IDAB O=C(NCC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccccc1 11005241 OVPFQXMSHORKMJ-UHFFFAOYSA-N 448.520 1.548 0 40 IDAB Cc1c([C@@H]2C[C@H](C(=O)Nc3ccc(Br)cc3)N(C)S(=O)(=O)N2)cnn1C 12130933 URJAIVHSXRDEMA-LSDHHAIUSA-N 442.339 1.709 0 40 IDAB Cc1sc2nc(C(C)C)n3c(=O)n(CC(=O)NCCCN4CCCC4=O)nc3c2c1C 12131679 WPMDALGJAICECH-UHFFFAOYSA-N 444.561 1.975 0 40 IDAB Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cn1 12775193 NXVFNCGXTIRSBL-FARCUNLSSA-N 439.335 1.729 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1 12933469 OJSDYSWWMLDQLM-UHFFFAOYSA-N 428.507 1.966 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)CC2)cc1C 13006301 UQJITIGPZARKFT-XLIONFOSSA-N 437.587 1.590 0 40 IDAB CCCn1c(=O)n(C[C@H](O)COc2ccc(Cl)cc2)c2cc(S(N)(=O)=O)ccc21 13022289 MVJFKVKREPMKKX-AWEZNQCLSA-N 439.921 1.954 0 40 IDAB CCCCN(C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 13074327 HGEWSHZCWFCOKO-LAUBAEHRSA-N 435.546 1.660 0 40 IDAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C1=COCCO1 14912837 JNAZMGQXDHGRIN-UHFFFAOYSA-N 437.518 1.525 0 40 IDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 15186318 ISLFSGQRGFULDG-UHFFFAOYSA-N 437.499 1.427 0 40 IDAB CCCCc1nn2c(=O)cc(COC(=O)CN3C(=O)c4ccccc4C3=O)nc2s1 15734095 GWHJRKSODIOVLB-UHFFFAOYSA-N 426.454 1.833 0 40 IDAB CCOC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OCC)cc1 17315240 KTSLWNGICNSJAG-UHFFFAOYSA-N 431.474 1.289 0 40 IDAB CNc1nc(C2CCN(C(=O)COC[C@@H]3CCCCO3)CC2)nc2c1CCN(C(C)=O)C2 19710839 ZKBUFYXBRDUQSZ-SFHVURJKSA-N 445.564 1.715 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCO)cc1Cl 20005960 CCLZKQOANLXNOI-QGZVFWFLSA-N 426.922 1.737 0 40 IDAB COC(=O)c1cccc(OS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 21473445 AAIZGUFESSCWCL-UHFFFAOYSA-N 441.483 1.262 0 40 IDAB CNC(=O)CSc1nnc(N2CCN(C(=O)COc3ccccc3F)CC2)s1 23141717 ZKVULDUENFNRBZ-UHFFFAOYSA-N 425.511 1.243 0 40 IDAB CCOc1ccc(OC[C@@H](O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)cc1 32751183 UZEHGMNLJJAIRN-ZIAGYGMSSA-N 427.548 1.648 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc(F)ccc2C)c1=O 32958184 XVJITNFQGIEDGZ-UHFFFAOYSA-N 433.484 1.315 0 40 IDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2cccs2)CC1 34800056 CJDHZBQETZTTMI-AWEZNQCLSA-N 437.543 1.853 0 40 IDAB CC(C)(C)NC(=O)[C@H]1N(C2CC2)C(=O)[C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)[C@H]3C=C[C@]21O3 35314559 GXSVIIIAPAWTCO-FOQKNYKRSA-N 441.503 1.670 0 40 IDAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 36384127 FRZGFFSFINBMQX-FQEVSTJZSA-N 436.503 1.486 0 40 IDAB CCN(CC)CCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)CC(C)C 72313453 UADOGOWYQMQZAZ-SFHVURJKSA-N 427.615 1.789 0 40 IDAB CN(C)CCN1[C@H]2CCN(C(=O)c3cnccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263978 VJZJXNVFGTXRFL-ROUUACIJSA-N 445.545 1.095 0 40 IDAB O=C(NCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1)c1cccnc1 100180021 KPYCPGQHVQUJQC-YVMJFWTCSA-N 434.496 1.883 0 40 IDAB CCCC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)CN(C)C)nn3c(O)c2C1 100234722 CMUXLLKAPZVXKN-GOSISDBHSA-N 428.537 1.735 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5cccnc5)[C@@H]34)[C@@H]2C1=O 217620498 MLQZGIPLWFHGLW-TWQRFVMUSA-N 443.506 1.389 0 40 IDAB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225564755 HKDBBEGUZLSZMI-UHFFFAOYSA-N 428.470 1.688 0 40 IDAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 257248081 JCAKKBNWQKOJGU-IBGZPJMESA-N 434.422 1.945 0 40 IDAB CCN1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257262423 LLIMIAUUXCTGOS-LJQANCHMSA-N 449.511 1.150 0 40 IDAB Cn1nccc1C(=O)N1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccc(F)cc1)C2=O 306139025 SNLFWPHRZQCCGA-RDPSFJRHSA-N 449.486 1.992 0 40 IDAB CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)CC1 408533968 RQGUCJKHZOHIKH-UHFFFAOYSA-N 427.523 1.361 0 40 IDAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2cccc(C)c2)C1 408650845 CDOAVTFUQFOJAB-INIZCTEOSA-N 425.441 1.679 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408653820 FYMRAIOUMRXVPG-PEMVHADBSA-N 430.457 1.605 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1 409258844 VQWBTFCCQHVTJY-UHFFFAOYSA-N 434.470 1.973 0 40 IDAB O=C1CCc2cc(-c3csc(NC(=O)NCCN4CCCS4(=O)=O)n3)ccc2N1 520287562 GYXYBBIJJUOYMY-UHFFFAOYSA-N 435.531 1.852 0 40 IDAB CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CCO[C@](C)(c2ccccc2)C1 531604132 MZXFEGIAOAYMSX-QFIPXVFZSA-N 447.557 1.757 0 40 IDAB O=C(c1cnc(O)n(-c2ccccc2)c1=O)N1CCC(COc2ccc3nccn3n2)CC1 1888930386 RYNLFZZIPQSMPT-UHFFFAOYSA-N 446.467 1.912 0 40 IDAB CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(OC)cc1)C[C@@H](C(=O)O)O2 6182850 LHQNYVAYHIMIJV-KRWDZBQOSA-N 441.483 1.530 0 40 IDAB CNCC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4cc(Cl)ccc4OC)cc3C(=O)N2C1 8296956 XOIUKMRZCKJXAA-KSSFIOAISA-N 442.903 1.886 0 40 IDAB biogenic,in-vitro O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1nccs1 9047495 MATTXNMYQRXJLZ-LBPRGKRZSA-N 426.495 1.438 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 9266131 UJSWWBLVJAQCTC-INIZCTEOSA-N 435.502 1.280 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)N[C@H](C)c1ccccn1)c(=O)n2Cc1ccccc1 9315085 GIKMMINGXDYIPO-MRXNPFEDSA-N 432.484 1.700 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NCc1ccco1 9484902 YMIBGPYAMXDZMB-AWEZNQCLSA-N 439.921 1.766 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)CN2CCCc3cc(C)ccc32)c(=O)[nH]c1=O 9508985 UQVXATPBDMMDMS-UHFFFAOYSA-N 443.548 1.660 0 40 IDAB Cc1c(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)sc2nc3n(c(=O)c12)CCC3 9594787 GDKAKZXSSBZQPI-UHFFFAOYSA-N 439.453 1.678 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccco3)CC2)c1C 9646507 AFVXAZQWTHJXME-UHFFFAOYSA-N 433.530 1.776 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccccc2)c1 9807093 OOFJSXQPSRMIAX-IBGZPJMESA-N 429.542 1.889 0 40 IDAB Cc1cccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 10386234 JKSQNBISEOIHMB-KRWDZBQOSA-N 441.532 1.927 0 40 IDAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1 10748568 YQRCYFOELAYWKH-UHFFFAOYSA-N 444.513 1.648 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3C[C@H](C)O[C@H](C)C3)CC1)CNC2=O 12086682 KYPAOFOCFMPTMV-PXAQALGRSA-N 445.516 1.205 0 40 IDAB Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2cn(C)nc2-c2cccnc2)CC1 12236413 UVGHPSWGOJWZIW-UHFFFAOYSA-N 439.541 1.866 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O 12554131 LQQYWKXDYKBQCQ-NRFANRHFSA-N 433.428 1.893 0 40 IDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 12568743 HXBPVAYWEYHAIO-AVRDEDQJSA-N 447.557 1.720 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@]1(C)CCS(=O)(=O)C1 13000249 VXFDTTLXJUWSCU-LJQANCHMSA-N 444.575 1.567 0 40 IDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1cc(=O)n2cc(Br)ccc2n1 13133435 JKNZJBJIXWMYIL-KBPBESRZSA-N 446.257 1.451 0 40 IDAB O=c1c(C(c2ccc(O)cc2)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2 13142161 HHLKNIHHCKQDTP-UHFFFAOYSA-N 444.494 1.308 0 40 IDAB O=C1[C@H]2C3C=CC([C@@H]4C(=O)N(Cc5cccnc5)C(=O)[C@H]34)[C@H]2C(=O)N1Cc1cccnc1 13777927 OROWPZZWTYLNEV-MDVMEXEDSA-N 428.448 1.195 0 40 IDAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)NC1CCCC1 17192535 CECPYRLCGABNSJ-UHFFFAOYSA-N 426.502 1.386 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1 19520414 AMLYLXMFKOWOQR-GOSISDBHSA-N 448.520 1.984 0 40 IDAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C)CC3)cc2c1 19522977 DXJDFRVYYCUAQU-NQIIRXRSSA-N 437.548 1.593 0 40 IDAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)Cn2cccnc2=O)c1 19566615 WSUKMCCGTKKCBK-UHFFFAOYSA-N 430.468 1.994 0 40 IDAB COc1cc2ncn(CC(=O)NCCC(=O)Nc3ccc(O)cc3)c(=O)c2cc1OC 20760989 CGGRIALBUCUZIN-UHFFFAOYSA-N 426.429 1.264 0 40 IDAB biogenic Cc1cc(CN2CCN([C@@H](C)C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)on1 22252585 LJUYMADPPPMMPQ-KRWDZBQOSA-N 449.577 1.687 0 40 IDAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 22466471 BFPJUIZHUGQFPU-FQEVSTJZSA-N 427.501 1.931 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 22902978 WFJOERQYCZKMLH-UHFFFAOYSA-N 425.488 1.491 0 40 IDAB CNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1 23949802 BGLYMJNMYZCOQL-FQEVSTJZSA-N 430.486 1.183 0 40 IDAB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CS2 25274491 PUTQAIGTRMGAER-MAUKXSAKSA-N 443.978 1.627 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 36359167 SGCDVWJDOFUOSO-ZDUSSCGKSA-N 431.470 1.657 0 40 IDAB O=C(NCCNC(=O)c1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)o1 40089225 UGLKSHNRWYVFIJ-UHFFFAOYSA-N 425.894 1.877 0 40 IDAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 96115997 DVWMZKISDTZQKV-IBGZPJMESA-N 435.484 1.708 0 40 IDAB biogenic O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)c1ccccc1 100137515 CTLPEIZGMLTZQX-GOSISDBHSA-N 434.330 1.318 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)c2ccn(CC)n2)sc2cc(S(C)(=O)=O)ccc21 101344583 SWEJRAZIFSUXSZ-HNENSFHCSA-N 436.515 1.627 0 40 IDAB COC(=O)c1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc(C(=O)OC)c1 223672026 NNFVYYKARJRRAM-UHFFFAOYSA-N 427.456 1.464 0 40 IDAB COc1cc(C)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 224269472 YOQWYMTUDMKANN-UHFFFAOYSA-N 442.559 1.920 0 40 IDAB Cc1ccc(CN(CC(=O)NCc2ccccc2CN2CCOCC2)S(C)(=O)=O)cc1 225872173 FSHMCPAGZJEIQI-UHFFFAOYSA-N 445.585 1.905 0 40 IDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2nc(C)n[nH]2)cc1C 226060219 CCAFSELEDMJFAU-UHFFFAOYSA-N 427.552 1.349 0 40 IDAB CC(C)(C)OC[C@@H](O)CN1CCN(CCNS(=O)(=O)c2cccc(Cl)c2)CC1 252508977 XZWHFCMDRYDKMC-KRWDZBQOSA-N 434.002 1.412 0 40 IDAB Cc1c(Cl)cccc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 253472587 NSVNJJKUSUGKEH-UHFFFAOYSA-N 446.982 1.776 0 40 IDAB CCCN1C(=O)N[C@H](CC(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)C1=O 257294091 QSJUYMPFNANRMU-NHCUHLMSSA-N 448.523 1.944 0 40 IDAB O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cnc4ccccc4c3)C2)C1 514290138 UIPQKNOBOLYYME-FCHUYYIVSA-N 429.524 1.775 0 40 IDAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1NC(C)=O 575424485 AOOAJYTYHRXSID-CABCVRRESA-N 446.547 1.010 0 40 IDAB Cc1nc(C)n(CCC(=O)N2CCO[C@@](COc3ccc(Cl)cc3)(CC(N)=O)C2)n1 585286660 PXYGWRJDEIOJMO-FQEVSTJZSA-N 435.912 1.490 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)cc(C)c1C 1615547351 HRVMITDBZDDDQS-HZPDHXFCSA-N 441.550 1.576 0 40 IDAB CCn1cc(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)c(=O)n(CC)c1=O 2298200133 VUTLUHSIDNPLEM-CQSZACIVSA-N 439.438 1.862 0 40 IDAB CCN(CC)CCNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O 1757038 SVGJWOPKPTWULL-UHFFFAOYSA-N 431.556 1.984 0 40 IDAB CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C 4090786 MVXWMRJNABVTPR-RZQQEMMASA-N 427.567 1.196 0 40 IDAB biogenic NC(=O)CSc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 8745471 VBIGWWWTZYQQHX-OAQYLSRUSA-N 440.481 1.432 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCCO3)c1 8901193 MHITYKXLNYCPGI-UHFFFAOYSA-N 433.486 1.467 0 40 IDAB C[C@@H](OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCc1ccc2c(c1)OCO2 9283307 YGJZNQGIZOVOMS-LLVKDONJSA-N 426.347 1.844 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)C2)cc1 9305368 DQYUANMGUUYLIH-XLIONFOSSA-N 446.525 1.908 0 40 IDAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN2CCC(C(N)=O)CC2)cc1 9492262 FMKROSGNZCFEAS-UHFFFAOYSA-N 438.528 1.804 0 40 IDAB CCCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 9585146 UZEFBNYGNGWMQU-VGOFRKELSA-N 447.557 1.586 0 40 IDAB COc1ccc(C(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 9600536 QGDLXWREUVYOAV-GOSISDBHSA-N 431.876 1.580 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 9671620 FZGMRPQEZXDIDW-ZHACJKMWSA-N 431.470 1.166 0 40 IDAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(=O)NC(N)=O 10401748 BHVFCYHWDHXDMK-CYBMUJFWSA-N 431.470 1.568 0 40 IDAB Cc1ccc(CNC(=O)NCC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 11167953 BVEABEPCUKTDNF-UHFFFAOYSA-N 444.557 1.764 0 40 IDAB Nc1nc(SCC(=O)NC[C@H]2CCCO2)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1 12033353 JRXYXGXFMXTOMU-GFCCVEGCSA-N 437.909 1.645 0 40 IDAB Cc1cc(N2CCCC2)nc(C2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)n1 12142971 DDHADDRGSXSDDB-HSZRJFAPSA-N 440.548 1.812 0 40 IDAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(C(=O)N4CCOCC4)c3)ccc21 12428071 TWFCGNLIJRGBBE-UHFFFAOYSA-N 433.511 1.873 0 40 IDAB C[C@@]1(CSc2ccccc2C(=O)N2CCN(Cc3ccncc3)CC2)NC(=O)NC1=O 12563770 HTSUETVGFDMHDB-QFIPXVFZSA-N 439.541 1.730 0 40 IDAB CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c1=O 12727399 UIQBZQKYLRLAGX-UHFFFAOYSA-N 435.912 1.439 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c2ccccc21 12745968 UUTJFXFNLYWWHT-UHFFFAOYSA-N 446.504 1.495 0 40 IDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 12905311 HYUCDGDQAOIPMG-FOIQADDNSA-N 432.498 1.552 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnnn1Cc1ccccc1)C2=O 14076127 LAAGYYVFXSQFQV-UHFFFAOYSA-N 429.506 1.345 0 40 IDAB CCN1C[C@H](CN(C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)Oc2ccccc21 14094059 AMVSRRDEJHYWFE-INIZCTEOSA-N 429.521 1.492 0 40 IDAB C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16033978 BBRJAESPJYCZMT-HAOYMYTASA-N 427.407 1.266 0 40 IDAB CCOC(=O)C1=NN(CCC(C)=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 18167272 XSIBGWBWCQDLDE-UKRRQHHQSA-N 436.262 1.521 0 40 IDAB O=S(=O)(c1cccc2nsnc12)N1CCN(c2nnnn2-c2ccccc2)CC1 19077209 FMJYZHKDCKSWSA-UHFFFAOYSA-N 428.503 1.178 0 40 IDAB COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)c4ccn(C)n4)C3)[nH]c(=O)c2C1 19290880 SSWRFGHMZICTFA-QGZVFWFLSA-N 448.527 1.700 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)NCc1ccccc1OC(F)(F)F 22849484 IZEGSMUBMXRCID-UHFFFAOYSA-N 442.482 1.832 0 40 IDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(C)c(SCC(N)=O)s2)c1 31799605 KERDNBJLVZOZPN-UHFFFAOYSA-N 428.561 1.888 0 40 IDAB CCOc1ccccc1NC(=O)Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2 32615425 RWLXGTBVLJYJPD-UHFFFAOYSA-N 431.452 1.991 0 40 IDAB C[C@]1(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CCS(=O)(=O)C1 32970971 UYDLJXNTCFGCAR-FQEVSTJZSA-N 436.555 1.571 0 40 IDAB COc1cc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)ccc1OCC(N)=O 57742361 BJZBITJDEUKQAG-UHFFFAOYSA-N 440.547 1.194 0 40 IDAB CCOc1ccccc1-n1ccn(CC(=O)NCc2ccc(OC)c(OC)c2)c(=O)c1=O 67256741 CRYDTEGNEWBDDQ-UHFFFAOYSA-N 439.468 1.732 0 40 IDAB CCCn1cc(C(=O)N2CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 67337018 JTDXVGHBZHJYPE-UHFFFAOYSA-N 447.561 1.659 0 40 IDAB CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 84199705 KBSIMFVVXBOAPF-MPGHIAIKSA-N 428.599 1.444 0 40 IDAB COC(=O)[C@@H]1c2ccccc2CCN1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 95405171 VZQPMGJMHWWBPY-PYGWLIJMSA-N 428.489 1.291 0 40 IDAB CC(=O)CN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)COc2ccccc2S1(=O)=O 96263562 JXLBNELUQJJFJJ-UHFFFAOYSA-N 432.502 1.304 0 40 IDAB CC(=O)N1C(=S)NC(=O)/C1=C1/C(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc21 102622617 OTUKIKVAKNLHAW-HNENSFHCSA-N 434.477 1.955 0 40 IDAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 137293058 TUOJFIJEKIFMSS-UHFFFAOYSA-N 439.559 1.822 0 40 IDAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 225558506 XFCCDROHQFXDQZ-INIZCTEOSA-N 434.514 1.913 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)CSc3ccc(F)cc3)CC2)cn1C 238836554 GVTRCXCFSAIPSA-UHFFFAOYSA-N 426.539 1.883 0 40 IDAB Cc1nc(-c2ccc(S(=O)(=O)NC3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)co1 575617769 WSKJSAFJZDCDMC-KRWDZBQOSA-N 439.559 1.580 0 40 IDAB Cc1cc(N2CC[C@@](O)(CN(C)Cc3ccc(OCCN4CCOCC4)cc3)C2)ncn1 585271647 GKALAPXXBNZOPU-XMMPIXPASA-N 441.576 1.569 0 40 IDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 3302047 LPQIGGJAPXKQAC-UHFFFAOYSA-N 445.906 1.546 0 40 IDAB Cc1cc(C)n2c(SCC(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)nnc2n1 3323034 YFZRSSPYPYRTKM-LJQANCHMSA-N 425.474 1.332 0 40 IDAB COc1ccc(CC(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)C(=O)O)C2)cc1 4236169 WDGOPBYOHRQIQK-LSDHHAIUSA-N 425.441 1.068 0 40 IDAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)NC(=O)NC)n2CC 6153629 JHROCGIODHNDTJ-UHFFFAOYSA-N 427.552 1.634 0 40 IDAB Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1O 8617380 INXLTEBJWFQKPN-UHFFFAOYSA-N 443.938 1.164 0 40 IDAB CCN1CCC[C@H]1CNC(=O)CCNC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3 9306190 HTDUSXVSSHKMRR-HNNXBMFYSA-N 442.516 1.471 0 40 IDAB O=C(Nc1ccccc1F)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 9469904 VSCPIGWCNSECOL-UHFFFAOYSA-N 449.504 1.936 0 40 IDAB Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 9510267 MOQFOHJVYXPQPR-INIZCTEOSA-N 436.486 1.673 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@@H]1COc3ccccc3O1)n2CCC 9546037 BJYMSQRBVUMKGL-INIZCTEOSA-N 442.472 1.980 0 40 IDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9637529 OKDNUACTEZAGOY-UHFFFAOYSA-N 446.916 1.652 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 11406684 QVSVHVJVZUCGEO-OAHLLOKOSA-N 437.504 1.306 0 40 IDAB Cc1ccccc1OC[C@H](O)Cn1c(N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 12232422 GUTZDAMDSLYGJN-QGZVFWFLSA-N 441.532 1.418 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCCCCC2)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12251461 TUNDFJZYCKALMY-UHFFFAOYSA-N 440.479 1.921 0 40 IDAB Cc1ccccc1OCC(=O)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 12422805 IFZCOLRSUDVQRO-UHFFFAOYSA-N 431.558 1.638 0 40 IDAB O=C(CSc1nnc(SCC(=O)NC[C@@H]2CCCO2)s1)NC[C@@H]1CCCO1 12601917 VUOQVGLESHKTSD-RYUDHWBXSA-N 432.593 1.313 0 40 IDAB CC(C)c1ccc(NC(=O)[C@@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12793176 RIEOPNZANRDRLD-PBHICJAKSA-N 449.529 1.846 0 40 IDAB CCCCn1c(=O)n(C[C@@H](O)COc2ccc(CC)cc2)c(=O)c2c1ncn2CCOC 12805228 MSNQGRHMQJKPQV-GOSISDBHSA-N 444.532 1.809 0 40 IDAB CC(=O)c1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 12984046 GILKPFBTOVHKRV-SFHVURJKSA-N 437.518 1.240 0 40 IDAB Cc1c(NC(=O)CSc2nnnn2C[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 14129358 HSOUBEADZGMEFC-OAHLLOKOSA-N 429.506 1.381 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccccn4)CC3)N2)cc1 14607049 CIJUHDPZSJTOHY-SFHVURJKSA-N 435.488 1.045 0 40 IDAB COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CN2CCN(C(C)=O)CC2)cc1=O 17010739 TUFKPZDXNBYMQL-UHFFFAOYSA-N 426.517 1.777 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCC[C@@H](C)C2)c2c(C(N)=O)nc(-c3ccsc3)nc21 19524221 PIYLATIPFLNCQV-GFCCVEGCSA-N 428.518 1.699 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 19572605 VXMWOUYFTICLJK-KRWDZBQOSA-N 434.493 1.594 0 40 IDAB CN(C)CC(=O)N(C)Cc1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 19700812 KMYJIHNILCPSGN-HNNXBMFYSA-N 428.512 1.722 0 40 IDAB COc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)N2CCCCC2)Cc2cn(C)nc21 19701596 ZLIGXCNJABPNDD-MRXNPFEDSA-N 433.534 1.697 0 40 IDAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)CCN1CCOCC1)CC2 19710375 WWBXTDSSFFRPGG-IBGZPJMESA-N 430.553 1.199 0 40 IDAB Cc1nc(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nc2c1CCC(=O)N2CC(C)C 19739285 IWNHTLFNFYLSOC-UHFFFAOYSA-N 438.532 1.834 0 40 IDAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(C(=O)CN(C)C)C3)nc2C)c1 19763553 YRFQNGGBPFDWHU-SFHVURJKSA-N 425.533 1.991 0 40 IDAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccc3c(c2)OCO3)CC1 20614287 YEBUEAKROUXQJU-SFHVURJKSA-N 446.454 1.737 0 40 IDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc(=O)n(CCOc2ccccc2)n1 25290851 NSJTXJDYVPVKEG-UHFFFAOYSA-N 435.484 1.484 0 40 IDAB COc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCC[C@H]1C 34889338 KAKXBGKPFHLDAY-GDBMZVCRSA-N 444.575 1.517 0 40 IDAB CCOC(=O)c1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc(C(=O)OCC)c1 36726633 PNERGIXMAPIGPB-ZDUSSCGKSA-N 426.491 1.650 0 40 IDAB C[C@H]1CN(c2ccc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2F)C[C@H](C)O1 40152620 QZOFNGQBTSZMJX-STQMWFEESA-N 443.522 1.888 0 40 IDAB Cc1noc(C)c1CCC(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 56936188 RHFFBYITOGFVRE-GOSISDBHSA-N 449.577 1.746 0 40 IDAB C[C@@H]1CN(C(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)C[C@@H](C)O1 56949937 WBADWPJAUKPTHN-RTBURBONSA-N 441.528 1.977 0 40 IDAB C[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 61984081 DQJVEAALKOFOBN-AWEZNQCLSA-N 430.486 1.146 0 40 IDAB CCOC(=O)CNC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21 67318739 XTQHJVFWRMYRTL-UHFFFAOYSA-N 433.424 1.793 0 40 IDAB O=C(Cn1nnn(-c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)c1=O)NC1CC1 77100231 PCAFZTLHGDRBDZ-UHFFFAOYSA-N 446.423 1.066 0 40 IDAB CCOC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cnn(C)c3C)c(=O)n12 101621310 PKAOIWFZDIPOSS-QEWVGDILSA-N 438.509 1.291 0 40 IDAB CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccc(C)cc2)n(C(C)C)c1=S 104195386 VNGSVSLXZFOYFJ-ZQOJQMTGSA-N 436.534 1.087 0 40 IDAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 223536657 NFNZCCYNXJLSAJ-NRFANRHFSA-N 447.557 1.793 0 40 IDAB O=C(CCNS(=O)(=O)c1cccc(F)c1)N[C@H](CN1C(=O)COC1=O)c1ccccc1 225635715 DSINNNGUTOXTJE-QGZVFWFLSA-N 449.460 1.330 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 253568385 LDYIHPBPQXJLCA-SMOZNVCYSA-N 433.464 1.281 0 40 IDAB Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)c1cc(=O)n(C)c(=O)n1C)C3 257226386 FKLDMNYWSFUYRC-OXJNMPFZSA-N 439.512 1.783 0 40 IDAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1I 409193305 JAHYJALNTYPPPD-YRNVUSSQSA-N 430.198 1.756 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)c4cn(C)c5ccccc45)C[C@H]23)n1 1549162365 PKBISDXWXVNHOI-IBGZPJMESA-N 432.484 1.812 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)NC(=O)Nc1ccc2c(c1)OCO2 8776231 MQCBDKHTFXMCIM-FQEVSTJZSA-N 442.453 1.909 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)C2CCN(c3nc(Cl)nc4[nH]cnc34)CC2)cc1 8992718 VIQVQQGNVNRVLP-UHFFFAOYSA-N 449.924 1.187 0 40 IDAB COc1cc(/C=C/C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)F 9247068 UAZPQRRPVDRJIQ-DIECRNLCSA-N 433.429 1.499 0 40 IDAB COc1ccccc1N1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1=O 9315388 IFMVEMSLKMEKIC-HNNXBMFYSA-N 449.554 1.643 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccco1 9418416 MIEAOWDLYIVPHW-RBUKOAKNSA-N 426.473 1.817 0 40 IDAB C[C@@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(-n2ccnc2)cc1 9672165 RUJQFJGVODVHDX-OAHLLOKOSA-N 435.488 1.277 0 40 IDAB CC(C)n1cc(C(=O)N2C[C@H](C(=O)N(C)C)[C@]3(COc4ccccc4C(=O)N3)C2)cn1 12123558 LWMAGUJZZWRJQY-VGOFRKELSA-N 425.489 1.185 0 40 IDAB CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1 12984239 GIMDHBRSASDICS-QFIPXVFZSA-N 426.517 1.754 0 40 IDAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 13163801 IUNRGCYWXMAHSO-QFIPXVFZSA-N 431.456 1.557 0 40 IDAB O=C1[C@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C[C@@H]1CCCO1 16026497 QWTPFGWYUWQUJX-XDDGOCGTSA-N 431.492 1.829 0 40 IDAB O=C(c1sccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1)N1CCOCC1 16479872 SKFREJGNHRHCRP-UHFFFAOYSA-N 435.571 1.727 0 40 IDAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 16823343 IZYFOVAMXARCNT-XQQFMLRXSA-N 430.910 1.036 0 40 IDAB CC1CCN(S(=O)(=O)N2CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC2)CC1 19496938 AHGRGDYZHGKXMB-LJQANCHMSA-N 439.578 1.476 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1 19647362 TZXOVXPHTKPZIC-ROUUACIJSA-N 448.520 1.056 0 40 IDAB CCS(=O)(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699967 UHOMVTSGLJRSLK-IBGZPJMESA-N 448.589 1.430 0 40 IDAB CNC(=O)c1cnc([C@@H]2CCN(C(=O)c3sc(N4CCOCC4)nc3C)C2)nc1C 19757491 QNNCQBSPZCYWAO-CQSZACIVSA-N 430.534 1.376 0 40 IDAB CCN(CC)C(=O)CSc1nnc(SCc2nc3c(C)cccc3c(=O)[nH]2)n1N 22281345 FIXKZHZIVDTNRS-UHFFFAOYSA-N 433.563 1.790 0 40 IDAB CN1[C@@H](CCC(=O)NCc2cccnc2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccc(O)cc1 22921059 IUPRQOBQWGFVQV-WPYKKVEZSA-N 437.544 1.257 0 40 IDAB biogenic,in-vitro C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O)c1ccc2c(c1)OCO2 23348931 VVWOYFPHYMTSGO-LLVKDONJSA-N 429.458 1.722 0 40 IDAB Cc1cccc(N2C[C@H](C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)CC2=O)c1C 23461689 FQRXJHNATBWNPC-QGZVFWFLSA-N 433.516 1.682 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(Cn3ncc4ccccc4c3=O)CC2)cc1 24527690 UNFBCRGWTHXJJQ-UHFFFAOYSA-N 428.514 1.759 0 40 IDAB CCS(=O)(=O)N1CCC(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1 25953411 COTSQODORVOSGR-UHFFFAOYSA-N 440.525 1.930 0 40 IDAB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(CNC(=O)NC(C)C)cc2)CC1 26622349 BDIBYLRVJZHZTL-UHFFFAOYSA-N 433.505 1.853 0 40 IDAB COc1ccc(OCCN2CCN(c3ccc(S(=O)(=O)NC(C)C)cn3)CC2)cc1 32869553 ZXGSFLATJOCAON-UHFFFAOYSA-N 434.562 1.978 0 40 IDAB Cn1c(C(=O)O)c([C@@H](C(=O)O)N2CCN(CC(=O)N3CCCC3)CC2)c2ccccc21 36358705 DZANCHZFOJJHBH-FQEVSTJZSA-N 428.489 1.242 0 40 IDAB CCn1cc([C@@H]2C(C(=O)Nc3ccc(S(N)(=O)=O)cc3)=C(C)Nc3ncnn32)cn1 36621276 NZRPLMMCVUIVHR-MRXNPFEDSA-N 428.478 1.070 0 40 IDAB NC(=O)CCN(C(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)c1ccccc1 40012715 UQALCXIQFUSDOZ-INIZCTEOSA-N 440.525 1.756 0 40 IDAB CCN(CC)C(=O)Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O 67225582 KJBHBGQESKIBKG-UHFFFAOYSA-N 432.550 1.216 0 40 IDAB COc1ccc(CC(=O)N2CCN(Cc3ccccc3)C[C@@](O)(Cn3cncn3)C2)cc1 72354487 TUWDRZPYNZNVNP-DEOSSOPVSA-N 435.528 1.605 0 40 IDAB CS(=O)(=O)c1ccc2nc(NC(=O)c3coc(NC(=O)c4cnccn4)n3)sc2c1 77196592 RHGJUCIZZILCEY-UHFFFAOYSA-N 444.454 1.982 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NOC[C@H](C)NC(=O)OC(C)(C)C)cc1 95453032 BSDQFHNZVLVNKH-STQMWFEESA-N 431.511 1.323 0 40 IDAB CCOC(=O)N1CCC(Nc2ncc3c(=O)n(Cc4ccccc4F)c(=O)[nH]c3n2)CC1 101328880 DETLRGBEQUADQN-UHFFFAOYSA-N 442.451 1.700 0 40 IDAB Cc1nn(-c2ccccc2)c(O)c1[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C 104041727 SFXHUNBJRGFEOB-GOSISDBHSA-N 435.362 1.084 0 40 IDAB CCOC(=O)[C@@H]1CSCCN1C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 105769275 CHCVUBWZGSGKIK-YRVVQQKDSA-N 425.551 1.630 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222935794 CREAPGZIQZQDPP-KRWDZBQOSA-N 447.557 1.620 0 40 IDAB C[C@H](C(=O)N1CCC[C@H](O)C1)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 253372530 FSAGMQWYAHJCAK-VWVPQACVSA-N 434.924 1.576 0 40 IDAB CS(=O)(=O)N1CCC[C@@]12CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H]2O 257255214 KGOPLLLMUBSXJJ-RDJZCZTQSA-N 435.468 1.505 0 40 IDAB CCS(=O)(=O)N1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccc(OC)cc1)C2=O 306123728 AURCSUBMYZTJOH-UNMCSNQZSA-N 445.541 1.637 0 40 IDAB COc1cccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c1OCC(=O)Nc1ccc(C)cc1 408592171 LIQOGPALEFUJFO-MHWRWJLKSA-N 439.424 1.998 0 40 IDAB CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@H](C)CC)cc2)CC1 409201145 VVPNPLAKKAMRES-OAHLLOKOSA-N 427.523 1.443 0 40 IDAB O=C(NCCn1nc(C(F)(F)F)ccc1=O)c1cnc(O)n(-c2ccc(F)cc2)c1=O 1888906358 SVLFLRZJWPCVJT-UHFFFAOYSA-N 439.325 1.083 0 40 IDAB CN(C[C@H]1COC2(CN(C(=O)COc3ccccc3)C2)CS1(=O)=O)C1CCCCC1 2332242984 UDRIYGBFDVJAFE-FQEVSTJZSA-N 436.574 1.725 0 40 IDAB CCOC(=O)c1ccc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(C)cc54)c(=O)n3C2)cc1 2214428 BHHKAYPNHHNUOB-HNENSFHCSA-N 448.504 1.601 0 40 IDAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCC(C(N)=O)CC1 2293756 BXXLIGFDFOQJBU-UHFFFAOYSA-N 437.294 1.853 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 3355381 BYPKJSIKIQKUCI-OAHLLOKOSA-N 435.483 1.319 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)c2cccn2C)ccc1C 3431573 YYCALRVQQPUAAS-UHFFFAOYSA-N 435.502 1.477 0 40 IDAB O=C(CSc1nnnn1-c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3433946 CTAUUKFTFZCAED-UHFFFAOYSA-N 445.526 1.658 0 40 IDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 9253948 DSUJAADFKQNRPJ-UHFFFAOYSA-N 428.832 1.830 0 40 IDAB CCc1nnc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)s1 10216949 GWSVZWHLYIPTKL-UHFFFAOYSA-N 448.574 1.975 0 40 IDAB CCS(=O)(=O)N(CC(=O)N1CCC(C(=O)OC)CC1)c1ccc2c(c1)OCCO2 10542223 VCIUSMIZXIPFHP-UHFFFAOYSA-N 426.491 1.026 0 40 IDAB CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(Br)ccc3OC)nnc12 10969961 IWQBECAXAXGKMY-UHFFFAOYSA-N 447.293 1.930 0 40 IDAB COC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029853 AJZISPVPWAOHEL-HNNXBMFYSA-N 437.495 1.686 0 40 IDAB COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n1 12881332 PRBLECBHQBQMKT-UHFFFAOYSA-N 442.497 1.808 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)CC1 13705026 BIXOTTYXLMHPEQ-UHFFFAOYSA-N 444.529 1.895 0 40 IDAB O=C1O[C@H](C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)Cc2ccccc21 15356472 YZSZLGSAJCLKRJ-KRWDZBQOSA-N 436.436 1.579 0 40 IDAB CCOC(=O)N1CCC(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)CC1 15843129 CLPICNWGVHNGRD-UHFFFAOYSA-N 437.518 1.740 0 40 IDAB CCOC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccn(CC)n3)c(=O)n12 17102254 ROQWYKIZHBRCMY-DBCJRBHXSA-N 438.509 1.466 0 40 IDAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)C(=O)NCc1ccc2c(c1)OCO2 17178493 ADPTWICIYZAMJZ-NRFANRHFSA-N 425.485 1.611 0 40 IDAB Cc1c([C@@H]2CCCN(C(=O)CCCN3C(=O)NC(C)(C)C3=O)C2)n2c(nc1=O)CCC2 19554757 PDHGDTITQFOFAZ-OAHLLOKOSA-N 429.521 1.315 0 40 IDAB CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)S(=O)(=O)c3cccnc3)n2)CC1=O 19701024 XKHRRYNVARWYCJ-OAHLLOKOSA-N 432.550 1.483 0 40 IDAB CNc1cc(C(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)ccn1 19703142 YUFXDBPPQXXQOG-HNNXBMFYSA-N 441.513 1.669 0 40 IDAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 20744758 XBDORVPCMDEMSK-INIZCTEOSA-N 431.489 1.712 0 40 IDAB COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N(C)C)cc1)N(C)CC3)OCO2 20758556 SFOLWLDSCPEKNI-SFHVURJKSA-N 436.472 1.679 0 40 IDAB biogenic CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCO)cc1Cl 22269340 SEXPUKNSLJLZAQ-KRWDZBQOSA-N 426.922 1.737 0 40 IDAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc2ccccn12 22276366 VYQJLAXQYWXDDM-INIZCTEOSA-N 440.529 1.686 0 40 IDAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCN(C)CC3)cc2c1 22929145 YLIZIECGSDPRBJ-OAQYLSRUSA-N 449.515 1.891 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(-c3ccn[nH]3)c2)c1 24887684 CHFYRPNHEBCVLP-UHFFFAOYSA-N 429.502 1.908 0 40 IDAB O=CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 26109338 JDNGIJMLLSPMKF-UHFFFAOYSA-N 448.372 1.836 0 40 IDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1 32865289 FJFBHBYMOJYKDH-MRXNPFEDSA-N 434.562 1.104 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1cccc(NS(C)(=O)=O)c1 38488408 WTFDNNYGRJGWHO-MRXNPFEDSA-N 440.547 1.412 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 56907944 UUEZWHNENQZNQB-RTBURBONSA-N 446.573 1.976 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 58244706 MLCURVHKOHTORH-HXUWFJFHSA-N 438.463 1.916 0 40 IDAB COc1ccc(NC(=O)COc2coc(CN3CCC[C@@H]3C(N)=O)cc2=O)cc1Cl 61718658 AANVWKGYODNWFN-OAHLLOKOSA-N 435.864 1.769 0 40 IDAB O=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 70641023 PAQXYAJMCOYTBM-UHFFFAOYSA-N 429.380 1.306 0 40 IDAB C[C@H](C(=O)NS(=O)(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1 72310703 FIHCFVHPFDSJKG-AWEZNQCLSA-N 431.580 1.850 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)sc3c2)cc1 72311533 ZJTPGNJGCFQEGL-JTQLQIEISA-N 434.499 1.854 0 40 IDAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2 72372398 VUEUMNQMLILSOQ-LJQANCHMSA-N 445.545 1.957 0 40 IDAB CC[C@@]1(c2ccc(OC(=O)c3ccc(N4CCCS4(=O)=O)cc3)cc2)NC(=O)NC1=O 84735389 ILDKHMQNLQWQFV-NRFANRHFSA-N 443.481 1.890 0 40 IDAB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CN1CC[C@H](CO)C1 84774483 GRIRDPJDBHHMAY-KRWDZBQOSA-N 440.610 1.816 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CCOc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 89917035 HSOAZHMVZLHBAJ-NRFANRHFSA-N 447.513 1.792 0 40 IDAB COCOC(=O)[C@@H]1N2C(=O)[C@H](N3C(=O)[C@H](c4ccc(O)cc4)NC3(C)C)[C@@H]2SC1(C)C 100376544 XMNFWSAYWSUJMH-XSWJXKHESA-N 449.529 1.179 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)CCc2ccccc2)sc2cc(S(N)(=O)=O)ccc21 100877663 LIELSPUWVBXISK-XDOYNYLZSA-N 447.538 1.973 0 40 IDAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 169685340 VCIRVTJQPNZIIS-XTDOFWJNSA-N 439.342 1.971 0 40 IDAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223573258 WFKCRQVGODJNKZ-MRXNPFEDSA-N 443.525 1.693 0 40 IDAB CCOC(=O)C1=C(CN2Cc3ccccc3C[C@H]2C(=O)NC)NC(=O)N[C@H]1c1ccco1 245225036 LDAZPUDDUJMEIJ-PXNSSMCTSA-N 438.484 1.624 0 40 IDAB CCc1nc2ccccc2n1CC(=O)N[C@H]1CCC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257290315 QCJKQJZFXUBPEZ-UVFQYZLESA-N 434.504 1.592 0 40 IDAB Cc1cc(=O)n2[nH]c(N3CCN(C(=O)/C=C/c4ccc(Br)cc4)CC3)nc2n1 390825647 QHCGGNWRNGVPRQ-QPJJXVBHSA-N 443.305 1.851 0 40 IDAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccccc2C)CC1=O 408659391 SGUXWIMIRKDWNF-OAHLLOKOSA-N 425.441 1.679 0 40 IDAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)n2)n1 605530182 ORPJBIVJCVZDLG-INIZCTEOSA-N 446.939 1.200 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(c5ncc(Br)cn5)C[C@H]4C3)ncnc21 1888913840 SNVTVXSLPGUDOL-CHWSQXEVSA-N 445.325 1.598 0 40 IDAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC2)cc(C)c1Cl 2037912220 HRYUPMMWBOUZQT-QFIPXVFZSA-N 449.935 1.790 0 40 IDAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCN(C=O)CC1 2657004 ZGZJVVQSGOADSQ-UHFFFAOYSA-N 429.498 1.361 0 40 IDAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 3390094 PWHCFZNILYNIPP-UHFFFAOYSA-N 448.545 1.164 0 40 IDAB Cc1nn(Cn2nnc3ccccc3c2=O)c(C)c1S(=O)(=O)N1CCc2ccccc21 8776233 FDHUGVBHQDMXDF-UHFFFAOYSA-N 436.497 1.862 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 9068066 RUVIYIUJIADGGH-KRWDZBQOSA-N 429.454 1.371 0 40 IDAB COc1ccccc1N1CCN2c3ccc(N)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 9450852 GMIMSPQFKIRMHR-FQEVSTJZSA-N 449.511 1.566 0 40 IDAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)NCc1ccco1 10794299 NPPYZXSNHMNESP-UHFFFAOYSA-N 442.877 1.427 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O 10803056 STCIDULBCFWLEJ-NRFANRHFSA-N 442.497 1.511 0 40 IDAB CCN(CC)C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 12639186 KXWKOHHSAPXVTD-UHFFFAOYSA-N 445.499 1.084 0 40 IDAB CC[C@@H](C)N(C(=O)CSc1nnnn1-c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 15227033 OQFIJYBEQYFDFG-ZIAGYGMSSA-N 439.563 1.577 0 40 IDAB CCc1ccc2c(c1)[C@@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15959172 WZMLRSVHAXQUKU-KQCWWSFOSA-N 433.508 1.593 0 40 IDAB COc1ccc([C@@H]2C/C(=C3\C(=O)NC(=O)N(CCc4ccccc4)C3=O)NN2)cc1OC 16994417 KQRRCSYMGYYRRN-BWGFTNSASA-N 436.468 1.818 0 40 IDAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)C2CCOCC2)CC3)CC1 19462942 NWWNZFWEBLHOKD-RHSMWYFYSA-N 428.533 1.443 0 40 IDAB Cc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1 20638893 NPCYCUHINWNFNG-QFIPXVFZSA-N 449.555 1.473 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCCC(=O)N2CCCC2)cc1 32721363 MBADNCVAHWTJAP-LJQANCHMSA-N 435.546 1.561 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 33905147 OBNBHYQEYRONSE-ZPAWYTMASA-N 438.429 1.457 0 40 IDAB COc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)c1 40478063 RMHXJIDFUBAVAV-UHFFFAOYSA-N 426.383 1.962 0 40 IDAB CSc1nsc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 41107707 OFACIEDAXHJLGI-UHFFFAOYSA-N 430.533 1.298 0 40 IDAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)C1 54670822 MXEGWLMTZZTNRV-CXAGYDPISA-N 446.456 1.167 0 40 IDAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC1(C(N)=O)CCOCC1 59746069 MTNQXMGZPYZRGJ-UHFFFAOYSA-N 441.731 1.672 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@H]1c1cccc(F)c1 67287282 DKRQKINHNVBLQS-SFHVURJKSA-N 434.468 1.771 0 40 IDAB CN1Cc2ccccc2C[C@@H]1C(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325740 YBJXMBJBITYTSW-LJQANCHMSA-N 426.542 1.766 0 40 IDAB O=C(NCCN1CCOCC1)[C@@H]1C[C@@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 96144496 SJUCXFVEAOAIRX-DHLKQENFSA-N 435.524 1.822 0 40 IDAB Cc1cccc(CN2CCn3c(nn(CC(=O)NCCc4cccs4)c3=O)C2=O)c1 98213162 YPTSKCNWABPTAB-UHFFFAOYSA-N 425.514 1.430 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCN(C)CC3)Oc3ccccc32)cc1 219403904 VKLYTHCUCBAXIO-OAQYLSRUSA-N 445.541 1.862 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC2CCN(c3ncc(F)cn3)CC2)cc1 252495211 ONPYBSWGVYGFIR-UHFFFAOYSA-N 447.492 1.464 0 40 IDAB CCCCC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@@H]1CC(C)C 643586348 PQLLPMPDVDOKDI-ZZLPTCMGSA-N 444.613 1.816 0 40 IDAB CN(C)c1nc(NCCNC(=O)COc2ccc(Cl)c(Cl)c2)nc(N(C)C)n1 2306038 MHUOMQUVENSKPQ-UHFFFAOYSA-N 428.324 1.918 0 40 IDAB C[C@@H]1CN(C(=O)COC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C[C@@H](C)O1 3261172 LGILDKOVBIQHAN-RKDXNWHRSA-N 425.290 1.433 0 40 IDAB N=C(NN)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=N)NN)cc3)cc2)cc1 4758069 FLHJZPSOVIVJJY-UHFFFAOYSA-N 430.472 1.769 0 40 IDAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1 9409739 OBSGXJGUMDYLEY-AWEZNQCLSA-N 432.502 1.593 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 9492966 CYXGZUHHUSSZDB-UHFFFAOYSA-N 445.950 1.850 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC(=O)NCc3ccccc3)C2=O)cc1OC 9613054 LYVOSLLSURROCL-JOCHJYFZSA-N 440.456 1.497 0 40 IDAB CCc1cccc(OC[C@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385289 OLZRMEAOZXJNPC-OAHLLOKOSA-N 439.472 1.631 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 12569193 XQWRUOVNGGEBKF-UHFFFAOYSA-N 448.482 1.521 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)CC2)s1 12768327 YYRNLLYMPAHYEX-AWEZNQCLSA-N 447.538 1.574 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)CC(=O)Nc1ccc(C)cc1 13096104 CQQULFPJJUKVKX-UHFFFAOYSA-N 448.545 1.763 0 40 IDAB CCC(CC)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13097196 XKGAEGPTJWQFHV-UHFFFAOYSA-N 425.551 1.459 0 40 IDAB CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(Cl)c(C(F)(F)F)c1 13612090 YCCVQZODDFVXFR-UHFFFAOYSA-N 427.832 1.425 0 40 IDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2ccc(Cl)cc2Cl)c1 14201533 CXPACCOWPLOOJD-UHFFFAOYSA-N 432.329 1.764 0 40 IDAB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)N1CCNC1=O 15319022 KGTWDOLUGOGLRS-UHFFFAOYSA-N 425.555 1.527 0 40 IDAB CCCCc1nn2c(=O)cc(COC(=O)CNC(=O)c3cccc(OC)c3)nc2s1 15733914 PEHDZJDLBHZJJK-UHFFFAOYSA-N 430.486 1.975 0 40 IDAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2cccc3nsnc23)C1=O 19107492 PAOHXNNPYDFNSR-HXUWFJFHSA-N 439.453 1.868 0 40 IDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 19375702 DLLOOBMQUPGKHR-QFIPXVFZSA-N 443.525 1.969 0 40 IDAB CN1CCC[C@H](NC(=O)[C@H]2[C@@H](C(=O)NCc3ccncc3)[C@@]2(C)C(=O)c2ccccc2N)C1 19576102 ZNACGDPKWXENNB-PPPPCMEOSA-N 449.555 1.626 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)COc3ccccc3)[nH]c(=O)c2C1 19592886 BJXSTXBWWZNXDZ-LJQANCHMSA-N 440.500 1.434 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21 20310778 ZYLIDBUUTQKCLH-UHFFFAOYSA-N 444.513 1.112 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1OC 22766315 YEJBEWMKXRRJSQ-QGZVFWFLSA-N 432.546 1.809 0 40 IDAB C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(CC(=O)N2CCCCCC2)CC1 23247989 JGCJAUSVWSWPCT-GOSISDBHSA-N 427.549 1.380 0 40 IDAB O=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 25285933 ZUOSMWCTCNIHJA-UHFFFAOYSA-N 443.569 1.886 0 40 IDAB CCn1c(=O)c2ccccc2n(CC(=O)NCCCN2CCN(c3ccccc3)CC2)c1=O 25862389 QNRCGEBVQBSYBA-UHFFFAOYSA-N 449.555 1.512 0 40 IDAB CCCS(=O)(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)CC1 58218745 JJFYQYHZQMLICK-UHFFFAOYSA-N 447.579 1.307 0 40 IDAB COC(=O)CNC(=O)CCc1c(C)nc2cc([C@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C 72369634 VOKCSBLGTDBYHH-INIZCTEOSA-N 443.548 1.930 0 40 IDAB COc1cccc(NC(=O)COc2ccc(/C=c3\sc4ncnn4c3=O)cc2OC)c1 256055275 AHMLCGQTPYWXMA-NVMNQCDNSA-N 438.465 1.733 0 40 IDAB O=C1N[C@H](CC(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)c2ccccc21 257249741 JJPFMQRLGPHZNV-HNAYVOBHSA-N 437.500 1.463 0 40 IDAB Cn1nc(C(=O)N2CCC[C@](C)(C(=O)NCCc3nc4cc(F)ccc4[nH]3)C2)ccc1=O 257262990 LNWRIZFJUOCILB-QFIPXVFZSA-N 440.479 1.397 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4cc(F)cc(F)c4)C[C@@H]23)n1 1549161254 GDIFIBMSCALQGA-MRXNPFEDSA-N 430.415 1.991 0 40 IDAB Cn1c(N2C[C@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@@H]3C2)nc2ccccc21 1888896989 WAJGUFAVVNSIJD-IAGOWNOFSA-N 431.562 1.140 0 40 IDAB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(C(=O)N4CCCC4)cc3)ccc21 1425431 ZYSRRPNMBJKGBD-UHFFFAOYSA-N 442.497 1.274 0 40 IDAB COc1ccc(CN2C(=O)C[C@@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1 4723389 SUGIJCLEYOLNNH-LJQANCHMSA-N 428.533 1.129 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N=c1[nH]c2ccccc2[nH]1 8992779 UYGSSGBYOKHKNO-HNNXBMFYSA-N 441.513 1.140 0 40 IDAB Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 9344299 USZJCNVBTGVXLJ-OAHLLOKOSA-N 432.355 1.701 0 40 IDAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1 9660354 XUWFIAGRBQAKCX-AWEZNQCLSA-N 436.472 1.827 0 40 IDAB CCOc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 12444784 FEBIQLMGWBDJBZ-UHFFFAOYSA-N 448.545 1.127 0 40 IDAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1=O 12802610 IEOUPEPMXNMYRS-HXUWFJFHSA-N 434.391 1.819 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)cc1 14232633 CGBMZFQYNYXCNW-CJNGLKHVSA-N 433.486 1.268 0 40 IDAB O=C(CC[C@@H]1CCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339549 HPVXQWRBIQVMKH-OALUTQOASA-N 437.544 1.998 0 40 IDAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(C(=O)CN(C)C)C3)nc2C)c1 19763551 YRFQNGGBPFDWHU-GOSISDBHSA-N 425.533 1.991 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c3s2)CC1 21886410 OBUNWCOTCCZKLX-UHFFFAOYSA-N 442.501 1.362 0 40 IDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c32)cc1C 22610478 YGSXEEQAVDUZRA-OAHLLOKOSA-N 438.488 1.153 0 40 IDAB C[C@H](N[C@H](CN1CCOCC1)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 23249309 HTAPJCQELODOCX-OXJNMPFZSA-N 432.546 1.324 0 40 IDAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 27329731 VQNDHSCTJPLXHG-LBPRGKRZSA-N 426.878 1.728 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3sccc3S(N)(=O)=O)CC2)cc1 32857753 BXUGROGWALTFCK-UHFFFAOYSA-N 443.572 1.241 0 40 IDAB CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(C)C(=S)N1C 33343138 ICDDCLHIUTVOSK-JTFWXBGUSA-N 448.595 1.043 0 40 IDAB O=C(CN1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1)Nc1cccc(F)c1 35414346 XBPGSMAWOVCXCI-UHFFFAOYSA-N 429.481 1.324 0 40 IDAB Cc1csc(=O)n1CCC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 40089042 ZKFQXONWADYLHD-UHFFFAOYSA-N 427.523 1.717 0 40 IDAB O=C(Nc1ccc(N2CCCC2)nc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 58004081 UYYYDRMLLBJXFF-UHFFFAOYSA-N 436.582 1.952 0 40 IDAB CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)N(C)C 72281268 PISDWBGGTACVOA-DAYGRLMNSA-N 425.551 1.327 0 40 IDAB O=C(c1ccc(-n2cnnc2)cc1)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338919 XFUSBDQJAWLYJL-HXUWFJFHSA-N 438.513 1.850 0 40 IDAB CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1C 95349231 BDBPFCIAPAHOKS-QGZVFWFLSA-N 446.591 1.301 0 40 IDAB COCCN(CCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)OC(C)(C)C 95453553 LABWSXJETICJHB-UHFFFAOYSA-N 430.505 1.905 0 40 IDAB O=C(NCc1ccncc1)C1=NO[C@@]2(CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 96225288 DDUUEQFGVZKENP-FQEVSTJZSA-N 432.477 1.837 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1OC 223784076 HSQZGHGAXJETLL-UHFFFAOYSA-N 446.529 1.243 0 40 IDAB COc1cccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccc(C)cc2)c1 408625506 VKCHVUKCYRHWDX-UHFFFAOYSA-N 447.557 1.647 0 40 IDAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1I)[C@@]1(C3OCCO3)C=C[C@H]2O1 409281355 LHGDUYBCBRNCOE-HPTBWKMGSA-N 439.205 1.477 0 40 IDAB CCOC(=O)[C@@H]1CN(Cc2ccco2)C[C@@H]2CN(C(=O)c3ccnc(F)c3)CCN2C1 585108166 JMYZTRQIWNMGKU-QZTJIDSGSA-N 430.480 1.635 0 40 IDAB COc1ccc(-c2cc(=O)n(CCNC(=O)[C@H](C)n3nc4c(cc3=O)CCC4)cn2)cc1 585150615 YMUVOUMQBQECAB-HNNXBMFYSA-N 435.484 1.342 0 40 IDAB O=S(=O)(c1cnc[nH]1)N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 618256058 DZPAJKSENDKKSL-UHFFFAOYSA-N 444.483 1.799 0 40 IDAB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccc(C(N)=O)cn2c1C(=O)OC 3065130 KAXAXEQWUINVII-UHFFFAOYSA-N 430.504 1.192 0 40 IDAB CCN(Cc1ccccc1)Cc1c(N)n(Cc2ccccc2)c(=O)n(CC(=O)OC)c1=O 3376354 ZVOVVJQMFZVYFX-UHFFFAOYSA-N 436.512 1.836 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 6599843 DCBROZVEWLQTSP-HXUWFJFHSA-N 435.480 1.953 0 40 IDAB O=C(CCn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O)NCc1cccs1 9409730 QDIKNGWTGKUPEZ-UHFFFAOYSA-N 446.554 1.615 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)Cc2ccc(Cl)s2)CC1 10128635 YGUXHSAAKGOHEZ-UHFFFAOYSA-N 446.982 1.971 0 40 IDAB CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1 11603552 LSCSMOLDEXKEOR-UHFFFAOYSA-N 431.470 1.980 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)CC2)s1 12768330 YYRNLLYMPAHYEX-CQSZACIVSA-N 447.538 1.574 0 40 IDAB CN(C(=O)CSc1nnc(NCCc2cccs2)s1)[C@@H]1CCS(=O)(=O)C1 12857024 BWFBECFNMCBGQP-LLVKDONJSA-N 432.618 1.992 0 40 IDAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 13510357 RARKABHZWWBVBD-IBGZPJMESA-N 442.520 1.477 0 40 IDAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 13513691 DVYIPXPDIFRZMK-FRQCXROJSA-N 432.550 1.758 0 40 IDAB CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 14796944 LNRREMFZJQISCJ-MRXNPFEDSA-N 432.470 1.685 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c(=O)[nH]c1=O 15605282 QFWTYFSGUTUDDQ-UHFFFAOYSA-N 442.451 1.189 0 40 IDAB COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 16048373 WEYARUAFUNRDAO-QHCPKHFHSA-N 439.468 1.940 0 40 IDAB CSCC[C@@H](NC(=O)c1ccc(C(=O)N[C@H](CCSC)C(=O)O)cc1)C(=O)O 16248634 UEZCYMFZOMGGJO-ZIAGYGMSSA-N 428.532 1.559 0 40 IDAB CN1CCN(C(=O)[C@H]2CCC(=O)NC(=O)N2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19589412 WNBQFMDMDXOFIT-LEWJYISDSA-N 448.523 1.801 0 40 IDAB CO[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)C1 19592583 ALVCSOCHWHWKOT-KZNAEPCWSA-N 442.560 1.976 0 40 IDAB COCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)c4ccncc4)C3)cc(=O)[nH]2)CC1 19592757 VZKJXVDEHAJKII-SFHVURJKSA-N 439.516 1.537 0 40 IDAB O=C([C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ccccc1)N1CCOCC1 21625214 HEYUUZOBMUAFRC-RHSMWYFYSA-N 437.543 1.739 0 40 IDAB Cn1c(=O)c(C(=O)CN2CCN(Cc3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O 22939645 LQBZZEYXGKMZPY-UHFFFAOYSA-N 447.539 1.178 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)CSc1nc(CC(=O)NC2CC2)cc(=O)[nH]1 23145263 XEPMUHVIVMZYLC-UHFFFAOYSA-N 430.486 1.499 0 40 IDAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 24756752 PGOSKEWYBNVETC-DOMZBBRYSA-N 444.351 1.054 0 40 IDAB Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1NS(C)(=O)=O 29363279 PDFQINOBYOBKPY-QGZVFWFLSA-N 436.578 1.525 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 35877107 CBFVFKZESBYWGA-BKEDOTJMSA-N 434.290 1.322 0 40 IDAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1S(=O)(=O)N(C)C 40146976 UTVSNBQMRMJCJT-MRXNPFEDSA-N 446.529 1.831 0 40 IDAB Cn1nnc2c1CCN(C(=O)C1CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC1)C2 72306440 GLHLJUQRDDDTEP-UHFFFAOYSA-N 429.546 1.289 0 40 IDAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)Cn2cccnc2=O)C1 72352180 HPQUFJDQCRUIKM-OAHLLOKOSA-N 440.525 1.850 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3c[nH]c(=O)cc3C)CC2=O)cc1 79015494 YKOUJZNJHZVWBZ-OAHLLOKOSA-N 446.529 1.705 0 40 IDAB Cc1ccc(Nc2ccc(NCCNC(=O)COc3ccc(-n4cccn4)nn3)nn2)nc1 90607742 NZORDKGELVPULQ-UHFFFAOYSA-N 446.475 1.506 0 40 IDAB COc1cn(CC(=O)NCC2CCOCC2)c(CN2CCc3ccccc3C2)cc1=O 95476586 QFTYHHKNQPFFOC-UHFFFAOYSA-N 425.529 1.958 0 40 IDAB Cc1cccc(CN2CCn3c(nn(CC(=O)N[C@H]4CCc5ccccc54)c3=O)C2=O)c1 98213161 JYTSZBVCSYDQDP-FQEVSTJZSA-N 431.496 1.813 0 40 IDAB COc1cc(NC(=O)C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)ccc1N1CCCCS1(=O)=O 101666634 IFZHEGPEVHRUJT-HRCADAONSA-N 433.530 1.892 0 40 IDAB CCOC(=O)c1[nH]c(COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C(=O)OCC)c1C 102280850 LQNZICPGZHUVFC-OKILXGFUSA-N 448.472 1.895 0 40 IDAB COc1ccc(N(CC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)c(OC)c1 223655883 QICAYNLZTOCZPY-UHFFFAOYSA-N 426.466 1.804 0 40 IDAB Cn1ccnc1COc1ccc(CN[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 257331855 XUOLMKFPACCSMM-MISYRCLQSA-N 446.548 1.820 0 40 IDAB O=C1CCc2cc(S(=O)(=O)NC[C@@](O)(c3ccoc3)c3ccco3)cc3c2N1CC3 390827081 SYYLRLWOYCXNLC-OAQYLSRUSA-N 428.466 1.922 0 40 IDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575608870 WBKRRKCWOBKTQU-PBHICJAKSA-N 426.560 1.464 0 40 IDAB CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 586823051 NGJQZRKJTKMJJQ-OIUNUZSUSA-N 434.533 1.899 0 40 IDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Br)cc1)C2)NCc1ccccn1 1547200784 FPRQKWYPJIOBSF-UHFFFAOYSA-N 443.261 1.507 0 40 IDAB Cn1c(=O)n(C)c2cc(CCC(=O)NC[C@]3(O)CCCN(c4ccc(F)cn4)C3)ccc21 2037880156 JRSMONFTMJSBIR-HSZRJFAPSA-N 441.507 1.491 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1C 1019736 NHLLSGRQKSLIQN-UHFFFAOYSA-N 433.530 1.776 0 40 IDAB C[C@@H]1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@@H](C)O1 2220285 AJQZTAKQBATWLI-VXGBXAGGSA-N 435.887 1.888 0 40 IDAB COc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(C(C)=O)cc1)CN=3)C(=O)N2 2254385 UMRHDXBQXQPWGL-HNENSFHCSA-N 434.477 1.327 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2N2CCOCC2)cc1 2649822 LMAPZNSAVHVHCP-UHFFFAOYSA-N 446.529 1.741 0 40 IDAB Cc1cccc(-c2nnc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)n2C)c1 3322733 ZABKUDUPOVVAHR-UHFFFAOYSA-N 445.570 1.889 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC[C@@H]2CCCO2)C2CCCC2)cc1 4410647 FDRSAIQABKIHNT-SFHVURJKSA-N 437.562 1.340 0 40 IDAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 8848716 QQTMVCLGSFAUHL-CQSZACIVSA-N 429.424 1.537 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCOCCOCCOCC2)cc1 9019068 WDMGFORRILPKQD-HXUWFJFHSA-N 442.578 1.580 0 40 IDAB Cc1ccc(-n2nnnc2CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 9570606 KADDONQXEJLLRO-UHFFFAOYSA-N 426.502 1.685 0 40 IDAB Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1CC(F)(F)F 9666467 XKMXOYILABDFAZ-UHFFFAOYSA-N 431.802 1.951 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccccc2F)cc1 9806287 UMGYQVAZGIDUSY-KRWDZBQOSA-N 433.505 1.720 0 40 IDAB COc1cccc(/C=c2\sc3n(c2=O)[C@@H]2c4ccccc4O[C@](C)(N=3)[C@@H]2C(C)=O)c1O 9971343 UWCGRTIBAKTOBG-AQPCGSEASA-N 436.489 1.989 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C 11978549 XYZBMQJAVCQOOJ-CYBMUJFWSA-N 436.511 1.902 0 40 IDAB COCCNC(=O)CN(Cc1ccc(OC)cc1)C(=O)CCC(=O)Nc1cc(C)on1 12490887 SUQPXVWCYNOOSK-UHFFFAOYSA-N 432.477 1.502 0 40 IDAB Cc1cccc2c(=O)[nH]c(CSc3nnc(CCC(N)=O)n3C[C@@H]3CCCO3)nc12 13003755 FRSMRMJWVBGXJX-ZDUSSCGKSA-N 428.518 1.712 0 40 IDAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 13041655 AFGUZZRNTYYFKO-UHFFFAOYSA-N 433.530 1.712 0 40 IDAB CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCOC)C[C@H]3CCCO3)cc2c1 13510374 DZPRTUWXEOYUHG-LJQANCHMSA-N 442.520 1.741 0 40 IDAB COc1cc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1OCC(N)=O 14244047 CYKLDWHZZFLSSV-AWEZNQCLSA-N 439.472 1.982 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)CC1 14399891 QDCLNMOJFSTFEE-UHFFFAOYSA-N 440.518 1.416 0 40 IDAB C[C@H]1CCN(C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)c2ccccc2S1 22226212 YFIJMEKUUKAPTD-SFHVURJKSA-N 432.590 1.380 0 40 IDAB Cc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325565 LMUALYREVFXCQN-QGZVFWFLSA-N 430.530 1.556 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 33767235 HHVGLVIBKKFFLV-GFCCVEGCSA-N 448.339 1.417 0 40 IDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 40023414 SNSNWTQXLWYSRB-ZDUSSCGKSA-N 428.514 1.616 0 40 IDAB O=C(CCCNc1ncccn1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 40130606 XNCVOGRVHJXETO-UHFFFAOYSA-N 429.546 1.691 0 40 IDAB CC(=O)NCC1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 48302402 OIYJKMYIZBAZKP-HZPDHXFCSA-N 437.562 1.473 0 40 IDAB CCn1c(CCC(=O)NC2(C(=O)NC)CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 58310147 CDOJKCFKKRRKEL-UHFFFAOYSA-N 449.577 1.414 0 40 IDAB O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325732 ZLYMJUWCFQEJDZ-INIZCTEOSA-N 446.573 1.890 0 40 IDAB Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC1)O2 72328088 OYBMJQRZKQOYGH-DMPWYTOCSA-N 448.541 1.403 0 40 IDAB Cc1nc(C2CCN(C(=O)CCN3C(=O)CSC3=O)CC2)nc(N2CCOCC2)c1C 72337187 UHEVYCCTCZJJJL-UHFFFAOYSA-N 447.561 1.722 0 40 IDAB CNc1cc([C@@H]2CC(=O)N(CCOC)C2)nc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1 72391850 YSDCZUNTXCFMMQ-MRXNPFEDSA-N 447.561 1.610 0 40 IDAB COc1ccc2c(c1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)C[C@]1(CCCN(C)CC1)O2 72394491 LSXQDBKTSFAPEQ-VGOFRKELSA-N 430.505 1.259 0 40 IDAB Cn1nc([C@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n(-c2ccccc2)c1=O 77100588 ZNCOSMAUFOSLHN-INIZCTEOSA-N 433.468 1.885 0 40 IDAB Cc1ccc(-c2noc([C@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)n2)cc1S(=O)(=O)N1CCOCC1 104527668 DUTYVKBDGPFYSH-SQDXWYPISA-N 445.497 1.731 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)OCCO2 216377426 XPCYGASLXQYAMS-UHFFFAOYSA-N 442.497 1.726 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 219015422 HNJDCVLQAGXLFS-CALCHBBNSA-N 431.514 1.167 0 40 IDAB CCS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 225257400 QKTYRLNIPKSOHP-MRXNPFEDSA-N 448.497 1.570 0 40 IDAB COC(=O)CN1C(=O)N/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)C1=O 408547907 ARJIPCUHUINFFR-LFIBNONCSA-N 439.424 1.778 0 40 IDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 575425686 HGQDTAGMBHKPMC-OAHLLOKOSA-N 442.515 1.625 0 40 IDAB COCCn1nc([C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n(C2CC2)c1=O 585233839 QXHTWYFIJCSMAL-AWEZNQCLSA-N 425.511 1.199 0 40 IDAB Cn1cnc(S(=O)(=O)N2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)c1 1258995740 YGDCRYGRGXZAKG-UHFFFAOYSA-N 431.543 1.596 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C)CC2)C12CN(C(=O)C1CCC1)C2 1549174665 OMXVVZNHPDRKHT-OAQYLSRUSA-N 438.572 1.790 0 40 IDAB COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2150540 TZTYXTVFHBZCGU-AABGKKOBSA-N 438.528 1.351 0 40 IDAB biogenic COc1ccc([C@@H]2c3cc4c(cc3O[C@](O)(CO)[C@@H]2C(=O)O)OCO4)c(OC)c1OC 5809660 PCTHWZMPAXEOPM-LLGFUMIMSA-N 434.397 1.347 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 6904485 VFGKMUHTONJRAC-UHFFFAOYSA-N 431.470 1.236 0 40 IDAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)NC(=O)c1cccn1C 8684964 RXFNLVWEBKVQJA-MRXNPFEDSA-N 431.514 1.685 0 40 IDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1 8725403 UQYNUZCVSPKUSC-UHFFFAOYSA-N 434.544 1.950 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccncc1 8991045 FNEPXKDMAAULBG-INIZCTEOSA-N 434.493 1.054 0 40 IDAB O=C([C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@H]1CO 9136086 UBLSWCSNWVECMC-KKSFZXQISA-N 432.480 1.938 0 40 IDAB biogenic CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 9340709 TULQCYHCUUMIQZ-INIZCTEOSA-N 429.926 1.794 0 40 IDAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9508454 QKHSMAHBECXDJT-UHFFFAOYSA-N 431.514 1.796 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCCc1c[nH]c2ccccc12 9579741 FHHRPADRQDNNRP-UHFFFAOYSA-N 428.514 1.473 0 40 IDAB COc1ccc(CCn2c(=O)c3ncccc3n(CC(=O)NC(C)(C)C)c2=O)cc1OC 9843926 MXRULWOYMBXNBF-UHFFFAOYSA-N 440.500 1.733 0 40 IDAB CCNC(=O)[C@@H](C)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N(CC)CC)=NC2=O)c1 11409551 VDKLGKMNDMPXNF-CJNGLKHVSA-N 447.561 1.609 0 40 IDAB COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)n2N)cc1OC 12348289 INZCDMUVYQOLPB-UHFFFAOYSA-N 427.486 1.691 0 40 IDAB COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 12508429 YBTPEGFZGHBDOJ-UHFFFAOYSA-N 449.304 1.684 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)n(C)c1=O 12547633 ZYNRVSAQLAIZDB-SFHVURJKSA-N 435.509 1.670 0 40 IDAB O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12561200 BMGIJVGZIGEAMB-UHFFFAOYSA-N 434.503 1.452 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2ccccc2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 12661625 KJHQVFWBNCVROC-PFAUGDHASA-N 437.445 1.030 0 40 IDAB biogenic CN1CC(=O)N(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1=O 12690553 GNWOATUOGBVUAM-UHFFFAOYSA-N 436.534 1.864 0 40 IDAB CCOc1ccc(N2C[C@H](C(=O)NCc3ccc(CS(=O)(=O)NC)cc3)CC2=O)cc1 12847247 VBOKHOCGYXSDPL-GOSISDBHSA-N 445.541 1.804 0 40 IDAB CCc1ccccc1OCC(=O)N(CCCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13039276 BZDGIOBTAQKKIF-UHFFFAOYSA-N 432.521 1.786 0 40 IDAB CCOc1ccccc1N(CC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccccc1 13672450 ZKMRGRFDGQPOIO-UHFFFAOYSA-N 431.514 1.581 0 40 IDAB COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1F 13729812 FYHRDLUGIQXMQZ-NSHDSACASA-N 428.463 1.948 0 40 IDAB CCCn1c(N)c(C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c(=O)n(C)c1=O 14244591 CMOWCLPTQZCRPW-UHFFFAOYSA-N 445.472 1.058 0 40 IDAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc2c(c1)OCO2 15186391 NPPKAWAZUYNHMR-UHFFFAOYSA-N 432.454 1.995 0 40 IDAB CN1N=C(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CCC1=O 15566025 JXECLFFXURKPEP-UHFFFAOYSA-N 432.424 1.147 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(NC(C)=O)c1 15630898 MREPSFJLRACRNL-UHFFFAOYSA-N 433.486 1.927 0 40 IDAB O=C(CNC(=O)c1ccc(Br)o1)NCc1ccccc1CN1CCOCC1 18214152 ITOXTPMEIREMMX-UHFFFAOYSA-N 436.306 1.921 0 40 IDAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)CN4CCOCC4)C3)nc2C)cc1 19766236 BCHSXVSSWMOONZ-QGZVFWFLSA-N 439.516 1.694 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 20768513 VKFYHDYWUMEQDK-UHFFFAOYSA-N 440.543 1.967 0 40 IDAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 22792352 CCKSRSMMOGFUIX-UHFFFAOYSA-N 435.500 1.923 0 40 IDAB CNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F 30291449 JVBIUTWOZJNFQV-UHFFFAOYSA-N 438.428 1.280 0 40 IDAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 32784382 VHVZENUDBPNIMJ-XLIONFOSSA-N 443.500 1.951 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCN2C[C@@H](C)C[C@H](C)C2)cc1 32929500 NNCAFBXRGUYFBC-IRXDYDNUSA-N 431.624 1.973 0 40 IDAB O=C(Nc1cccnc1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 36366698 JNCCWRLONUEMOL-HNNXBMFYSA-N 430.486 1.094 0 40 IDAB O=C(CN1CCN(c2ccccc2O)CC1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 57270825 LRFZEWDUYZQJSP-FQEVSTJZSA-N 443.569 1.730 0 40 IDAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327594 NHFGEBFZHDJJOO-WNSKOXEYSA-N 427.501 1.516 0 40 IDAB CCCNC(=O)Nc1cccc(OC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 78989462 ABSCKOLRDORZGB-ZDUSSCGKSA-N 437.522 1.841 0 40 IDAB Cc1cc(C)nc(Nc2cccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2)n1 79483473 FWMKZRRZXLDGQO-IBGZPJMESA-N 429.546 1.782 0 40 IDAB CC(=O)N1C[C@H]2C3(CCN(C(=O)c4cnc(C)cn4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96143824 UEBMETIKKKGBDW-GBXCKJPGSA-N 439.560 1.888 0 40 IDAB COc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)cc1 98213190 ABFCWIBNIMJEQO-UHFFFAOYSA-N 439.447 1.165 0 40 IDAB COC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(Br)cc3Br)C(=O)[C@H]12 103129584 FPPTVAKOAVFKQV-IUCAKERBSA-N 431.040 1.202 0 40 IDAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(CCNC(C)=O)cc1 223310621 MIQYHKZSKCUDCE-UHFFFAOYSA-N 436.486 1.970 0 40 IDAB COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc(C(=O)OC)c1 225679479 HVWFCAOWQULSCK-UHFFFAOYSA-N 436.467 1.974 0 40 IDAB Cn1c(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)cc(=O)n(C)c1=O 257228461 FTYFHNWDNKXVSN-HNNXBMFYSA-N 426.448 1.822 0 40 IDAB Cc1cc2nc(C)n(CC(=O)N3CC[C@@](C)(O)[C@H](n4ccc(O)nc4=O)C3)c2cc1C 257237266 HFURFXXSRLKNBU-XMSQKQJNSA-N 425.489 1.448 0 40 IDAB CC1(C)Oc2ccc(C(=O)N3CCC[C@]4(CC3)Cc3c(O)nc(O)nc3O4)cc2NC1=O 257295320 QXWHSADWFPUVEZ-QFIPXVFZSA-N 440.456 1.997 0 40 IDAB COc1cc([C@H](CC(=O)NCCc2nc(C)no2)c2oc(C)cc(=O)c2O)ccc1O 524730039 SDISWASOPFKXRJ-AWEZNQCLSA-N 429.429 1.940 0 40 IDAB biogenic COc1ccc(Br)c(C(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)c1 1888903876 LSHAPYGIJJPXKB-UHFFFAOYSA-N 434.356 1.706 0 40 IDAB Cc1cc(C)cc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 2628475 RFUIVUQBAYXUJJ-UHFFFAOYSA-N 446.525 1.987 0 40 IDAB C[C@H]1CN(C(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@H](C)O1 3237811 LIKGULSBNRTINB-KBPBESRZSA-N 443.477 1.856 0 40 IDAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCCC3)C2=O)ccc1OCC(N)=O 6906891 GMWZNSYQUOWABL-GZTJUZNOSA-N 447.513 1.998 0 40 IDAB Cc1nnc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)s1 9263915 QICIPULLMYHCCW-UHFFFAOYSA-N 435.510 1.817 0 40 IDAB Cn1nc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c2ccccc2c1=O 9797205 KSKRQWHIMPIKIL-OAHLLOKOSA-N 445.479 1.991 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)OCc1cc(=O)n2ccsc2n1 9883959 UIKMTOALEJRUAG-UHFFFAOYSA-N 427.891 1.821 0 40 IDAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC)cc1 10445385 NRZRAJCBAJUDHO-CQSZACIVSA-N 433.486 1.903 0 40 IDAB O=C1N[C@@H](CC(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)c2ccccc21 12142336 NXARRCCWTPBOPR-KRWDZBQOSA-N 426.498 1.584 0 40 IDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(n3c(=O)[nH]c4ccccc43)CC1)C2=O 12592305 FFCMNLAYBIJKFU-WNSKOXEYSA-N 439.516 1.994 0 40 IDAB CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2CCCO)NC(=O)N[C@H]1C 12698748 DWDMETTVXXGOCL-LBPRGKRZSA-N 432.502 1.390 0 40 IDAB COc1cc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(OC)cc1Cl 12818385 VCKSQKVUCUXZDE-JTQLQIEISA-N 429.882 1.461 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(CCC(N)=O)n1C1CC1)CC2 12897518 IBYVGILTAMMNBY-UHFFFAOYSA-N 445.545 1.725 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1C(N)=O 12900725 SIKGHIQQHRFMJU-UHFFFAOYSA-N 444.435 1.290 0 40 IDAB CC[C@]1(c2ccc(NC(=O)C(=O)NCCn3nc(C)cc3C)cc2)CCC(=O)NC1=O 13734854 WBOCWCNELUEJOL-JOCHJYFZSA-N 425.489 1.339 0 40 IDAB COc1ccccc1N1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1 15842500 DTQRSOJMKGUTTF-UHFFFAOYSA-N 429.498 1.724 0 40 IDAB C[C@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 16818731 JOEADMBMMRNAFS-LBPRGKRZSA-N 433.515 1.386 0 40 IDAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(=O)n(CCC)n2)c(=O)[nH]c1=O 21336357 FDERKTKJTJFUKX-UHFFFAOYSA-N 442.476 1.326 0 40 IDAB COc1ccc(CNC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 22228296 BFVLBMRVAKJIHJ-UHFFFAOYSA-N 433.530 1.357 0 40 IDAB CCOC(=O)C1=C(COC(=O)CSc2cccc[n+]2[O-])NC(=O)N[C@@H]1c1ccc(C)o1 23014674 BWDRILFFZRCILC-GOSISDBHSA-N 447.469 1.728 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)ccc1OC 26111965 QREYPNLPGVPQSF-UHFFFAOYSA-N 433.530 1.964 0 40 IDAB Nc1ncn([C@@H]2C[C@H](OC(=O)c3ccccc3)[C@H](COC(=O)c3ccccc3)O2)c(=O)n1 39165245 BYBDEADADFZSJF-BZSNNMDCSA-N 436.424 1.591 0 40 IDAB Cc1ccc2cc(C)c3nn(CCNC(=O)Cn4c(=O)oc5ccccc54)c(=O)n3c2c1 57740216 JYYSZFYKDGCSAI-UHFFFAOYSA-N 431.452 1.990 0 40 IDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2C(F)(F)F)C1 65584891 ZBMSLDFFODDXOC-LLVKDONJSA-N 432.428 1.832 0 40 IDAB Cc1cc(C(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)c(=O)[nH]c1C 72394931 AIQDGWGGNFNOPV-SJLPKXTDSA-N 426.517 1.461 0 40 IDAB O=C(Cn1nnn(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)c1=O)NC1CC1 77100224 REPKZNSOUFCJHS-UHFFFAOYSA-N 446.389 1.979 0 40 IDAB COc1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)C(C)C)cc1 95402692 CSDZVDZRMVRDJE-DNVCBOLYSA-N 427.505 1.678 0 40 IDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCc1nnc2ccccn12 96223949 CGGAJCLVLVIBTJ-HNNXBMFYSA-N 426.864 1.900 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2CC[C@H](Cn3c(=O)[nH]c4ccccc4c3=O)CC2)CC1 101619079 CVTYLLNUTJFIHE-CALCHBBNSA-N 442.516 1.797 0 40 IDAB O=C(NCCO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408582485 CQKYUTPSTKMPJA-MRXNPFEDSA-N 427.320 1.447 0 40 IDAB C[C@@H](NC(=O)CCCn1cnc2c(N)ncnc21)c1ccc(OCC(=O)NC2CC2)cc1 1624941931 GWBQLKRYOMVGNU-CQSZACIVSA-N 437.504 1.724 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(c5cc(C)nc(SC)n5)C[C@@H]4C3)ncnc21 1888913937 XTKUXYRXHMUVAX-GASCZTMLSA-N 426.550 1.866 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1ccncc1 3641216 PXSMLEKVUSVFPK-SFHVURJKSA-N 449.320 1.200 0 40 IDAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)n2N)cc1 9661900 NOOMHNKLPMMTMQ-UHFFFAOYSA-N 446.558 1.948 0 40 IDAB COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cn1 9736151 HUXSMHGAZYWXFW-UHFFFAOYSA-N 426.445 1.585 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(OC)cc2)n2nnnc2N1 10232156 KULIUERXOFINCH-KRWDZBQOSA-N 436.384 1.915 0 40 IDAB CCN(CC(=O)Nc1ccc(F)c(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430630 BNHPSWIZYPSAIW-UHFFFAOYSA-N 429.427 1.910 0 40 IDAB COc1ccc(CNS(=O)(=O)c2cc(N3C(=O)CCC3=O)ccc2OC)cc1OC 12200806 PUUJMCODPMCYKT-UHFFFAOYSA-N 434.470 1.844 0 40 IDAB CC(C)c1nc(C2CCN(C(=O)CN(C)[C@H]3CCS(=O)(=O)C3)CC2)c2cccnc2n1 12220498 OJHCDWQYIVAPJY-KRWDZBQOSA-N 445.589 1.973 0 40 IDAB COCc1c(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)oc2ccccc12 13109165 NRPPZNJZFUNBHV-UHFFFAOYSA-N 446.481 1.742 0 40 IDAB Cc1cccc(OC[C@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 13483359 LVICUFOUHCMXII-MRXNPFEDSA-N 427.505 1.552 0 40 IDAB N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 13542109 RCMWNNJFKNDKQR-UFYCRDLUSA-N 425.485 1.065 0 40 IDAB COc1cc2c3nc4n(c(=O)c3n(CC(=O)NC[C@@H]3CCCO3)c2cc1OC)CCS4 13568149 KKJIIZGGSHPWNW-LBPRGKRZSA-N 444.513 1.769 0 40 IDAB O=C(COc1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 13689460 RFLOASPBGGCEGC-FQEVSTJZSA-N 426.425 1.305 0 40 IDAB O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14116417 WXTWTNSBZNJMGQ-HNNXBMFYSA-N 425.938 1.412 0 40 IDAB O=C(COc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)N1CCCCC1 16689914 BWGHYSBMVRSPFI-UHFFFAOYSA-N 429.473 1.582 0 40 IDAB COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCc3ccccc3C2)c1 20465242 DPSNMRCXGGSJMF-CLAROIROSA-N 427.501 1.364 0 40 IDAB biogenic,in-vitro O=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22908049 RTQKQJQPCISAFK-FQEVSTJZSA-N 442.585 1.412 0 40 IDAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 23805182 AAZDOXOKDNDTSL-UHFFFAOYSA-N 428.518 1.784 0 40 IDAB CCOC(=O)c1cccc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 23913468 JQYXMSHRVLWNPL-UHFFFAOYSA-N 433.486 1.600 0 40 IDAB CCOC(=O)c1[nH]c(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)c(C(=O)OCC)c1C 24243072 POBOFUPRRVBIGZ-OAHLLOKOSA-N 434.537 1.461 0 40 IDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 27344536 HIUSKRJTCPJHNX-HNNXBMFYSA-N 441.561 1.741 0 40 IDAB COCC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 31138604 ZDPICLKFPXDGNJ-UHFFFAOYSA-N 433.486 1.545 0 40 IDAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 31810013 RFIYDWSOTCBYNJ-KRWDZBQOSA-N 439.491 1.429 0 40 IDAB CCCn1c(N)c(C(=O)CNc2ccc(I)cc2)c(=O)[nH]c1=O 33471420 GRJMBYQHYGVQRV-UHFFFAOYSA-N 428.230 1.428 0 40 IDAB O=C1NCCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)[C@@H]1c1ccccc1 58158538 MGQGDIZLUQQLEF-LJQANCHMSA-N 444.285 1.874 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)N[C@@H](C)c4ccccc4)c(=O)c3s2)CC1 67319320 WCZNVLBWDQMQHV-HNNXBMFYSA-N 426.546 1.872 0 40 IDAB O=C(CN1CCC[C@H]1c1ccccn1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 72311929 PKKAKMZIQUPEFM-FQEVSTJZSA-N 430.530 1.878 0 40 IDAB CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCn1cnc3c(C)cccc3c1=O)CC2 78875335 LBCHPUSSSGITDT-UHFFFAOYSA-N 426.498 1.592 0 40 IDAB COc1ccc(NC(=O)c2ccc3nnc([C@H]4CN(C(=O)N(C)C)CCN4C)n3c2)cc1 96156766 IYDYHSCSBPBQNM-GOSISDBHSA-N 437.504 1.960 0 40 IDAB NC(=O)[C@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 97163867 SVGFYDDTLTZYLU-MRXNPFEDSA-N 441.431 1.974 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N/C(=C\C=C\c3ccccc3)C2=O)cc1 100895506 UNSFHYBUMNSRLC-GUSDSWBTSA-N 426.454 1.422 0 40 IDAB CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCC[C@H]1C(N)=O 252394466 NQZYVZPEQQKCLY-JYJNAYRXSA-N 426.558 1.543 0 40 IDAB Cc1ccc2[nH]c(CCC(=O)N3C[C@@H](O)[C@H](n4ccc5c(C(N)=O)ccnc54)C3)nc2c1 257240504 HTUAXYKBSGNHKH-RTBURBONSA-N 432.484 1.697 0 40 IDAB CN1CCN([C@H]2CC[C@](CNC(=O)[C@@H]3CC(=O)N(C)C3)(c3ccccc3)CC[C@@H]2O)CC1 257250840 JOFMUPNFEGVFIQ-AXJZPPOTSA-N 442.604 1.070 0 40 IDAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NCCN1CCOCC1 408589415 FNUMFJHNMGFLAZ-UHFFFAOYSA-N 437.493 1.454 0 40 IDAB CN1CCN(c2ncccc2CNC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 543779917 FCXDCKLMFHZXTE-JOCHJYFZSA-N 438.576 1.399 0 40 IDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575608876 WBKRRKCWOBKTQU-RHSMWYFYSA-N 426.560 1.464 0 40 IDAB CSCC[C@H](N)C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643556621 NTVJLBMWZQINPK-AVRDEDQJSA-N 435.590 1.586 0 40 IDAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)CCC(F)(F)F)C[C@H]4C3)ncn2)n1 2086894050 YLZBDALTBZJDCO-GASCZTMLSA-N 444.483 1.929 0 40 IDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)c3ccccc3)C2)n(-c2cccnc2)n1 2332241608 NJFWUYDBRYPIEE-KFKAGJAMSA-N 443.529 1.784 0 40 IDAB CCN(CC)C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 930508 CKJOQDUIQPDXDO-UHFFFAOYSA-N 429.546 1.751 0 40 IDAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)NC1CCCCC1 5702649 OPRKPZMYGQMERM-OAHLLOKOSA-N 426.608 1.947 0 40 IDAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)C1=O 8769471 JLVFTTRJFKGRSQ-ZDUSSCGKSA-N 434.518 1.079 0 40 IDAB COc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1 8824865 ADNXIHVTXAKHNT-UHFFFAOYSA-N 448.497 1.669 0 40 IDAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1cccnc1)CS(=O)(=O)C2 10250593 VTOPCQPYZJRJLX-UHFFFAOYSA-N 425.470 1.259 0 40 IDAB CCOc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccco2)N2CCOCC2)cc1OC 12780134 ZFQFUJOLBXYSNY-GOSISDBHSA-N 445.516 1.997 0 40 IDAB COC(=O)c1sc2nc(-c3cccc(S(=O)(=O)NCC(=O)O)c3)[nH]c(=O)c2c1C 12810035 VDRKOAFILMOFDK-UHFFFAOYSA-N 437.455 1.110 0 40 IDAB COc1cc(C)c(CN2CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)cc1OC 12861717 OFJPMZIFURBELF-QHCPKHFHSA-N 444.532 1.377 0 40 IDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 13108025 UTDJQGKRRYHDTD-HSZRJFAPSA-N 437.452 1.994 0 40 IDAB CCn1cc(C(=O)N[C@@H](CCSC)C(=O)NCCOC)c(=O)c2cc3c(cc21)OCO3 13610168 YZOPHOCKJBONAO-HNNXBMFYSA-N 449.529 1.364 0 40 IDAB O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CN1Cc1ccccc1 15324049 QRHBNEWSQKOYMB-SFHVURJKSA-N 445.516 1.707 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N2[C@H]3CC[C@@H]2Cc2c3cnc3cc(C)nn23)cc1 19130418 DKDZIFHFMZASMF-KDOFPFPSSA-N 441.513 1.613 0 40 IDAB CN(C)c1ncc2c(=O)[nH]c([C@H]3CCCN(C(=O)c4n[nH]c(=O)c5ccccc45)C3)cc2n1 19585662 NSYAXOBIQTZCIU-ZDUSSCGKSA-N 445.483 1.640 0 40 IDAB COC(=O)c1ccc2c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)cnc2c1 20004220 UQINUHKCYJTROV-UHFFFAOYSA-N 425.441 1.559 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 20457589 WCTJOKGWIRGARY-MRXNPFEDSA-N 430.910 1.669 0 40 IDAB COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 21842339 IGAATKRTPSANQM-HUUCEWRRSA-N 446.554 1.851 0 40 IDAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2C)no1 24601629 YDEQRNGRDFHYLD-PXPVJAHISA-N 432.546 1.735 0 40 IDAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 31593776 OVUFJGIUGMITOM-FUHWJXTLSA-N 446.529 1.538 0 40 IDAB CS(=O)(=O)c1cccc2sc(N(CCN3CCOCC3)C(=O)c3cnccn3)nc12 38845941 IOCKBLGTTCVQRV-UHFFFAOYSA-N 447.542 1.469 0 40 IDAB Cc1nonc1CN1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3cc(F)ccc23)CC1 40267365 QJNWPSQLCRSENU-LJQANCHMSA-N 431.424 1.500 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@H]([C@H]1CCOC1)N1CCCC1 65512482 WOFYIPXBAQBZOD-MAUKXSAKSA-N 440.566 1.568 0 40 IDAB O=C(C[C@@H](CN1CCN(CC(=O)N2CCCC2)CC1)C(=O)O)Nc1ccc(Cl)cc1 71279129 HRJHNYDJXNOCMF-INIZCTEOSA-N 436.940 1.609 0 40 IDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327595 NHFGEBFZHDJJOO-CMJOXMDJSA-N 427.501 1.516 0 40 IDAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@H]5CC(=O)N(C)C5)CC4)nn3c(O)c2C1 72389794 JWOJERBVPOROMS-INIZCTEOSA-N 440.548 1.386 0 40 IDAB CNc1cc([C@H]2CC(=O)N(CCOC)C2)nc(CN(C)S(=O)(=O)c2ccccc2)n1 72391849 KCZYYQVJGFQFMA-HNNXBMFYSA-N 433.534 1.301 0 40 IDAB COc1ccc(S(=O)(=O)CCNC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1 79494386 IEJAIUUVOUZNPC-UHFFFAOYSA-N 432.546 1.909 0 40 IDAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 100187788 HEQTYXGTZHVIOU-ORGXJRBJSA-N 429.425 1.741 0 40 IDAB O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 108479365 VKTYFABUADBNOK-WCXIOVBPSA-N 432.464 1.111 0 40 IDAB CN(c1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1)S(C)(=O)=O 224075704 POILYLUPVDIMBB-UHFFFAOYSA-N 425.532 1.483 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCCN1CCOCC1 224469576 KPDCIHCCZOOUGC-UHFFFAOYSA-N 439.578 1.251 0 40 IDAB COc1ccc(-c2nnc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)s2)cc1 225687948 RJSXBHGEUVDIFO-UHFFFAOYSA-N 430.467 1.997 0 40 IDAB CCN1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 257204764 AWEXIGWKHNBXRS-KKIGLAAZSA-N 425.577 1.728 0 40 IDAB Cc1nc2cc(CCC(=O)N[C@H]3CCC[C@H](n4cnc5c(N)ncnc54)[C@H]3O)ccc2[nH]1 257343992 ZVHFWAAPVOMJKE-KNBMTAEXSA-N 434.504 1.797 0 40 IDAB COc1ccc(Cl)cc1-c1nc(S/C(=C/C2C(=O)NC(=O)NC2=O)C(=O)O)n[nH]1 408632149 NVFOIGIKHANRBR-BJMVGYQFSA-N 437.821 1.177 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC[C@@]3(O)C[C@H]4CC[C@H]3C4)cc2)CC1 560704417 ZIJTUIPTOJSKME-LQBOVUBWSA-N 449.573 1.210 0 40 IDAB COc1cc(CN2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)ccc1OCCN1CCC(C)CC1 585270938 CMOMQDHLFKBRHZ-DNQXCXABSA-N 449.592 1.240 0 40 IDAB CCN(C(=O)CN1c2ccccc2C[C@H]1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 2662071 SCTGLDJHFROAGX-MRXNPFEDSA-N 433.512 1.971 0 40 IDAB O=C(COC(=O)CNC1=NS(=O)(=O)c2ccccc21)N[C@H]1CCCc2ccccc21 3425941 ZBMYMJUSFVRKIO-KRWDZBQOSA-N 427.482 1.462 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(O)nc2ccccc12 8754230 PSMZDDYCTAXIKY-UHFFFAOYSA-N 427.482 1.891 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 9063795 NISSLSLWPTYFIG-UHFFFAOYSA-N 439.534 1.784 0 40 IDAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(C(=O)c2ccco2)CC1 9727690 OTOPAFSWIALCNW-UHFFFAOYSA-N 443.481 1.949 0 40 IDAB O=C(NC[C@@H]1CCCO1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 9741508 JFNUFGVWVBCUPG-WMLDXEAASA-N 440.518 1.814 0 40 IDAB NC(=O)C1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)CC1 10220901 HYBSADBOFVKBMV-UHFFFAOYSA-N 433.921 1.935 0 40 IDAB COc1ccccc1C(=O)N[C@H](C(=O)NCc1ccc(N2CCOCC2)nc1)C(C)C 11153005 RWSQGDGRJPCGPB-NRFANRHFSA-N 426.517 1.998 0 40 IDAB O=C(O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 12657787 UHDRGDWZXSOMOP-QZTJIDSGSA-N 426.425 1.832 0 40 IDAB biogenic CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 12905037 PBGBNWZYZRKJSQ-UHFFFAOYSA-N 428.514 1.894 0 40 IDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC(C(=O)N2CCCCCC2)CC1 12911973 PIXXFODESGODRK-UHFFFAOYSA-N 432.546 1.366 0 40 IDAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cc(C(F)(F)F)ccc1Cl 13566578 OSTNUWKDJCBUKM-UHFFFAOYSA-N 443.875 1.573 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1=O 14140591 GCSKFSYCPCODMO-NRFANRHFSA-N 444.513 1.733 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 16705905 JEZUMUWWHJROPG-UHFFFAOYSA-N 431.561 1.342 0 40 IDAB O=C1NCCN[C@@H]1CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 17095809 GRSSZSHPSPKDQT-HXUWFJFHSA-N 428.483 1.677 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 19647356 TZXOVXPHTKPZIC-ZWKOTPCHSA-N 448.520 1.056 0 40 IDAB Cc1ccc(C(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)s1 21940421 YHCCPSPLEFJEFF-UHFFFAOYSA-N 428.470 1.357 0 40 IDAB CN1[C@@H](CCC(=O)NCc2ccccc2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1csnn1 22923033 OQCRFAJQAXLWKH-NSHGMRRFSA-N 428.562 1.008 0 40 IDAB biogenic,in-vitro O=C(Nc1ccccc1)C1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 23884447 LZEOUJIAAIFKCE-UHFFFAOYSA-N 434.504 1.613 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1cc(=O)n2cc(C)ccc2n1 24707168 MQUTXRMZYHFWKE-UHFFFAOYSA-N 441.440 1.160 0 40 IDAB CC(C)C(=O)NC(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1 25426559 FCKUVMASCZTTSU-UHFFFAOYSA-N 432.546 1.510 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3O)CC2)cc1OC 26527084 GNFYMTNYNVLQCP-UHFFFAOYSA-N 449.529 1.427 0 40 IDAB Cc1cc(C)n(CCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 27508901 WFSUAIVBXKVYLW-UHFFFAOYSA-N 440.953 1.994 0 40 IDAB CCOC(=O)C1=C(CNc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)NC(=O)NC1 30498473 OTDVZCUWLIPBQR-UHFFFAOYSA-N 436.534 1.712 0 40 IDAB CN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCc3ccccc3C2)cc1 30879611 XPUGZFPCVOETRJ-WZYRSQIMSA-N 425.529 1.030 0 40 IDAB biogenic,in-vitro CCOC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(NC(=O)CCC(=O)O)cc23)CC1 31820649 ARSRBSYDCRIIRG-LJQANCHMSA-N 446.460 1.871 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 36664290 VSJVHBOAVFLYFW-FQEVSTJZSA-N 429.542 1.948 0 40 IDAB Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3sccc32)no1 57428270 FYJXDCMUMVQEJI-UHFFFAOYSA-N 440.437 1.937 0 40 IDAB CCOc1ccc([C@@H]2NC(=O)NC(CN3CCC4(CC3)OCCO4)=C2C(=O)OC)cc1 67287158 QQLSSJZXHYDBJV-IBGZPJMESA-N 431.489 1.705 0 40 IDAB Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1F 79105805 SPBKKHQYKRPJEP-UHFFFAOYSA-N 434.449 1.428 0 40 IDAB COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)cc(C)n(CC(=O)O)c1=O 96221005 GYHCPLGCDVKAGC-CYBMUJFWSA-N 435.429 1.668 0 40 IDAB biogenic O=C(CCn1cnc2ccccc2c1=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96374995 DSJHXEGZVNDTEM-UHFFFAOYSA-N 429.498 1.986 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)CC1 224788988 XAEDWMGORZXLQK-UHFFFAOYSA-N 439.519 1.562 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cn2cccnc2=O)C1 257273111 NFHZOYKDPGMALZ-AWEZNQCLSA-N 441.513 1.245 0 40 IDAB O=C1NC(=S)N/C1=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409377430 HXERTOUMEFXQLB-XYOKQWHBSA-N 426.292 1.032 0 40 IDAB COc1cc([C@H](CC(=O)NCCc2ncn(C)n2)c2oc(C)cc(=O)c2O)ccc1O 604405172 LRVVAJBWKMXSET-AWEZNQCLSA-N 428.445 1.377 0 40 IDAB biogenic Cn1cc(S(=O)(=O)N2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)cn1 606440804 FFWWFPQQXHGSDF-UHFFFAOYSA-N 431.493 1.884 0 40 IDAB C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2ccn(C)n2)CC(=O)N1 643559141 NQXGAASBTPQFTE-AWEZNQCLSA-N 447.923 1.623 0 40 IDAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc2c(c1)nc(C)n2CCO 1848353704 BLUTYHYCVHCDAN-JOCHJYFZSA-N 435.528 1.410 0 40 IDAB Cc1cc(N2CCN(CC(=O)N3CCN(c4ccccc4)CC3)CC2)nc(N2CCCC2)n1 1889224957 PSUUKJDJARZONR-UHFFFAOYSA-N 449.603 1.856 0 40 IDAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(Cc3ccccc3F)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242196 QDNFWLVWGUYDEE-BJLQDIEVSA-N 445.539 1.213 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 3446401 ALIYRKIJXKVLOL-CQSZACIVSA-N 425.532 1.140 0 40 IDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1C(F)(F)F 8749332 UECYHBJWKCMHKH-NSHDSACASA-N 428.454 1.019 0 40 IDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1S(=O)(=O)N1CCOCC1 9394763 JKNOEPZISAFMOO-MRXNPFEDSA-N 447.513 1.596 0 40 IDAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccccn1 9411147 ISHJEXNOUHLSNJ-UHFFFAOYSA-N 448.520 1.444 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@H]1COc3ccccc3O1)n2CCC 9546038 BJYMSQRBVUMKGL-MRXNPFEDSA-N 442.472 1.980 0 40 IDAB COc1ccc(NC(=O)CN(C)C(=O)CCCNC2=NS(=O)(=O)c3ccccc32)cc1 9592720 NQLJPQVXLQAOTE-UHFFFAOYSA-N 444.513 1.611 0 40 IDAB COc1cccc(-c2nnn(CC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)n2)c1 9723278 UOVYFOOLHSRSIH-QGZVFWFLSA-N 433.534 1.697 0 40 IDAB Cn1c(=O)c(C(=O)COC(=O)c2cc3ccccc3[nH]2)c(N)n(Cc2ccccc2)c1=O 11227081 LEPZRLRAYKKUDR-UHFFFAOYSA-N 432.436 1.699 0 40 IDAB COc1ccc2c(C)c(CC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2c1OC 11865464 RMQHYTWVRFBXPD-QGZVFWFLSA-N 434.445 1.003 0 40 IDAB biogenic COc1ccc(CCNC(=O)c2nnc3n(c2=O)CCN3c2ccc(F)cc2)cc1OC 12234319 XKSKSTZNNVCVJE-UHFFFAOYSA-N 439.447 1.919 0 40 IDAB Nc1c(N(CCCO)C(=O)c2cccc(Cl)c2)c(=O)[nH]c(=O)n1Cc1ccccc1 12982009 SXLZVKKRWYMTPV-UHFFFAOYSA-N 428.876 1.850 0 40 IDAB O=C(OCc1cc(=O)n2ccsc2n1)C1CCN(S(=O)(=O)c2ccccc2)CC1 13038144 HNAUTSBOIXIDDL-UHFFFAOYSA-N 433.511 1.900 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCn3ccnc3)C2)cc1OC 13119443 PLISKBQMWDTXRA-INIZCTEOSA-N 436.534 1.508 0 40 IDAB CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C(=O)NCC(=O)O)cc3)cc2C[C@@H]1C 13460087 CHMFRLSYKZFPNS-LBPRGKRZSA-N 431.470 1.599 0 40 IDAB COCCn1nnnc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 13510369 MEBNRSPYAAORMI-UHFFFAOYSA-N 426.477 1.835 0 40 IDAB Cc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 14170833 UZIKPZQHYXKFMF-UHFFFAOYSA-N 431.514 1.313 0 40 IDAB COc1cn(CC(=O)Nc2ccc(C(C)=O)cc2)c(CSc2nnnn2C)cc1=O 15883875 OVGOXOWVUHMBTD-UHFFFAOYSA-N 428.474 1.514 0 40 IDAB Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 19127168 HJVIVVSFBOVBAN-JOCHJYFZSA-N 428.489 1.797 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1 19592913 SJVOXYKAFXUGNR-SFHVURJKSA-N 428.464 1.808 0 40 IDAB CCc1nnsc1C(=O)N1CCO[C@@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19703052 KJMMOBRRACLXIF-CYBMUJFWSA-N 447.542 1.646 0 40 IDAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 21198094 HPQNZDOBRHJZCZ-QGZVFWFLSA-N 428.470 1.886 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)NCc1ccccn1 22228461 LILRNONVDVSHQK-UHFFFAOYSA-N 444.557 1.668 0 40 IDAB C[C@H](OC(=O)C1CCN(c2ccc(C(N)=O)cn2)CC1)C(=O)NCc1ccc(F)cc1 22867950 GGIYYQAUSROBKI-AWEZNQCLSA-N 428.464 1.784 0 40 IDAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 23134685 PRWZVDNTRGSYRZ-IBGZPJMESA-N 445.527 1.668 0 40 IDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)C1 29198249 BINKFCVHYLUBLP-TZMCWYRMSA-N 444.351 1.342 0 40 IDAB O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C1 31772934 CJHZKEMMDYGYCW-AWEZNQCLSA-N 433.504 1.587 0 40 IDAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 32745239 VQNDHSCTJPLXHG-GFCCVEGCSA-N 426.878 1.728 0 40 IDAB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 49504261 OWSUJQKZRAQTFN-KRWDZBQOSA-N 437.518 1.357 0 40 IDAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)CC2)C1 72394376 NNLRIIOZSTUOIE-GOSISDBHSA-N 434.558 1.922 0 40 IDAB C[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 72394893 VMHDFNLMAMKCQY-VQIMIIECSA-N 439.512 1.814 0 40 IDAB CCOC(=O)N1CCC(NC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)CC1 77100466 QPVOUKYWKQDZKB-UHFFFAOYSA-N 428.371 1.912 0 40 IDAB Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1CCN(Cc2ccccc2)CC1 79479355 NTHJGXMTXUWXGF-UHFFFAOYSA-N 428.602 1.958 0 40 IDAB CCOC(=O)c1csc(NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)n1 95445266 WHFOOCLKFGPPHQ-UHFFFAOYSA-N 449.532 1.891 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)COc2ccccc2)sc2cc(S(N)(=O)=O)ccc21 100877712 DNEIYZOOFYTLLZ-VZCXRCSSSA-N 449.510 1.420 0 40 IDAB CN1CCC(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 113946433 GKSBZMFTAVRCCZ-NRFANRHFSA-N 429.542 1.994 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCc1c(OC)cccc1OC 226068635 GKTATNXALSTPAL-UHFFFAOYSA-N 426.466 1.788 0 40 IDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 245020790 MHCDJDCTWVHRFL-OAHLLOKOSA-N 426.473 1.700 0 40 IDAB Cc1nc(CN2CCC3(CC2)Cc2nn(Cc4csc(C)n4)c(=O)c(=O)n2C3)cs1 306133344 MIYZKDNYJTTZRA-UHFFFAOYSA-N 444.586 1.822 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408655007 HDZPWFAOMLDXPD-SIZUQEQISA-N 425.441 1.322 0 40 IDAB C[C@](O)(/C=C\[C@@H]1CC=CC(=O)O1)[C@H](C[C@H](O)/C=C/C=C/C=C/CO)OP(=O)(O)O 606565894 ZMQRJWIYMXZORG-CSNONUAZSA-N 430.390 1.055 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)cc1 1565524640 QBWMWRUBIIMWSI-UHFFFAOYSA-N 429.498 1.868 0 40 IDAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 2453091 SZCGSBOXQXIPNN-UHFFFAOYSA-N 441.532 1.699 0 40 IDAB CCOC(=O)c1csc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1 3235358 ZUHANODEAQRHKA-UHFFFAOYSA-N 439.515 1.901 0 40 IDAB COCCCn1c(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n[nH]c1=O 9636908 JMFNVNGYDLAYOP-AWEZNQCLSA-N 446.533 1.525 0 40 IDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9724981 YRDDBHRDOCROBQ-MRXNPFEDSA-N 428.466 1.966 0 40 IDAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1OC 9963897 XFDPYTRDJMPNFJ-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB Cc1ccc2c(c1)CN(S(C)(=O)=O)C[C@@]1(CCCN(C(=O)Cc3nonc3C)C1)O2 12087200 NCYCMDMJZZBHIM-FQEVSTJZSA-N 434.518 1.444 0 40 IDAB COc1ccc(OCC(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 12163194 OCOFYIJHJFFNHW-UHFFFAOYSA-N 448.545 1.127 0 40 IDAB O=C(OCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1cc(=O)[nH]c2ccccc12 12803863 GGAJYBVBDBELPD-UHFFFAOYSA-N 425.466 1.731 0 40 IDAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 13119822 SRWBZUCCSMOGAI-JOCHJYFZSA-N 439.424 1.982 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)nc1N 14636835 PCHCGQUPCNZAPY-CYBMUJFWSA-N 442.563 1.286 0 40 IDAB CCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)nc2ccccc2c1=O 15277644 NJRZUTJHHARXBE-UHFFFAOYSA-N 443.529 1.490 0 40 IDAB COc1ccc(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1S(=O)(=O)N1CCOCC1 15567437 PCLVRZAGUCWMSC-UHFFFAOYSA-N 446.485 1.067 0 40 IDAB Cc1nc([C@H]2CCCN2CC(=O)N2CCN(c3ccc(F)cc3)CC2)ncc1C(N)=O 19756084 NQJKTLLFICWEHA-LJQANCHMSA-N 426.496 1.509 0 40 IDAB Cc1nc(N2CCOCC2)ncc1C(=O)N1CC[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 19756870 BTYNKEFIEFQWIA-INIZCTEOSA-N 446.511 1.898 0 40 IDAB Cc1ccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 24770845 ANWRGPUBICZBPG-IAGOWNOFSA-N 438.546 1.962 0 40 IDAB Cc1sc2nc(CN3CCOCC3)nc(N3CCC(NS(C)(=O)=O)CC3)c2c1C 25106606 OVDLECDMSQFQPJ-UHFFFAOYSA-N 439.607 1.658 0 40 IDAB CNC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ccccc2O1 29767496 ZAPVUNRFJNCLRJ-XOBRGWDASA-N 437.452 1.351 0 40 IDAB COC(=O)C1(c2ccccc2)CCN(C(=O)C2=NN(c3ccc(C)cc3)C(=O)CN2)CC1 32945893 QXQNEUAYOCGWGX-UHFFFAOYSA-N 434.496 1.978 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(Cl)c2C)c1=O 32958158 IXXICALIKSNDOS-UHFFFAOYSA-N 449.939 1.829 0 40 IDAB CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 34860523 OFJCITDXFXKVGM-UHFFFAOYSA-N 425.551 1.269 0 40 IDAB COc1ccccc1-n1cnnc1SCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 35355123 ANUVAEHEJGGCLY-UHFFFAOYSA-N 444.561 1.135 0 40 IDAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1=O 38492531 FVDUHYSHJRNGAP-AWEZNQCLSA-N 426.448 1.752 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)o1 40116459 BNZOWCZBERDWHL-IBGZPJMESA-N 435.458 1.268 0 40 IDAB C[C@@H](C(=O)NCCN1CCOCC1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327612 UGKSZTJAZAHFGG-SBUREZEXSA-N 429.517 1.240 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)NCCc2ccc(OCC(=O)O)cc2)cc1 95425572 HVITTYOKRUQLHP-ACCUITESSA-N 432.498 1.707 0 40 IDAB O=C(Nc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 96124071 CQIHUIYHIWCEFE-OAHLLOKOSA-N 431.456 1.652 0 40 IDAB Cc1ccc(CNC(=O)CN2N=N[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]32)cc1 100036676 QQURJDVPKTUYQZ-WOJBJXKFSA-N 435.440 1.376 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)CC1 220330748 MYVLEUOBNJOFSP-OAHLLOKOSA-N 427.523 1.459 0 40 IDAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 252429263 CZWYSKQUGLIDLE-IQAPYESVSA-N 441.553 1.412 0 40 IDAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 257198848 JZMHEXPQRVKICL-BBWFWOEESA-N 435.480 1.618 0 40 IDAB CN1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CN(Cc3ccc[nH]3)CCO2)CC1 257298060 RJYNRBQLTMQVPI-HSZRJFAPSA-N 430.524 1.968 0 40 IDAB Cn1c(=O)n(C)c2cc(/C=c3\sc4nc5cc(Br)cnc5n4c3=O)ccc21 408721816 ZOKOHQWUYVGDBZ-NSIKDUERSA-N 442.298 1.805 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 641990 JCKOUAWEMPKIAT-SLHNCBLASA-N 440.470 1.862 0 40 IDAB CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1 8973325 FFTXYWNVZHYJRZ-UHFFFAOYSA-N 437.331 1.920 0 40 IDAB COC(=O)CCn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)c(C)n23)n(C)c1=O 9124597 PSCPRYORYAZAIH-UHFFFAOYSA-N 425.445 1.327 0 40 IDAB CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCCCO)c(=O)c2cc3c(cc21)OCO3 9418520 QJWGFGYXOUMNFO-INIZCTEOSA-N 431.489 1.393 0 40 IDAB C[C@H](Oc1ccccc1C(=O)O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9544825 XQLAZPCHWFDADG-AWEZNQCLSA-N 434.470 1.812 0 40 IDAB COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC 9570246 VNFPCUXVVAXNRZ-UHFFFAOYSA-N 447.557 1.515 0 40 IDAB CCN(C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)[C@H]1CCS(=O)(=O)C1 9665596 RVAVOCWUGQBIKN-VBKZILBWSA-N 433.486 1.235 0 40 IDAB COc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12 9713297 GYJKTDWJYRQXPJ-UHFFFAOYSA-N 444.451 1.300 0 40 IDAB COCCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C 9745946 RUFNBGXODWSJPR-SFHVURJKSA-N 439.578 1.424 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2OC)n2nnnc2N1 10232220 VQULIWHMWOSXBM-KRWDZBQOSA-N 436.384 1.915 0 40 IDAB COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnnn2C)cc1OC 10254860 NJQCQGMRIBPITK-UHFFFAOYSA-N 446.489 1.329 0 40 IDAB CCNC(=O)[C@H](C)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N(CC)CC)=NC2=O)c1 11409547 VDKLGKMNDMPXNF-XJKSGUPXSA-N 447.561 1.609 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)N[C@@H]3CCCOC3)CC1)O2 12086670 OJVRJHUKHZYTNX-YGKZAACZSA-N 429.517 1.552 0 40 IDAB COCCN1C[C@@H](C(=O)N2CC(=O)N(c3ccc(OC)cc3)C3(CCCC3)C2)CC1=O 12191411 ZPHNCFHJQBFLPK-KRWDZBQOSA-N 429.517 1.678 0 40 IDAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Br)cc4)C3)CC2)N1 12737279 JKGFAZAHTAVYSY-NSHDSACASA-N 435.278 1.003 0 40 IDAB CC(=O)c1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 12893795 VOAIELFXGHWOJA-SFHVURJKSA-N 436.505 1.775 0 40 IDAB Cc1ccc(NC(=O)Cn2cnc3sccc3c2=O)cc1S(=O)(=O)N1CCOCC1 13074553 XATXZGFQLMUHOZ-UHFFFAOYSA-N 448.526 1.426 0 40 IDAB Cc1nnc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1Cc1ccccc1 13133857 DYPKFHSAAXJIDU-UHFFFAOYSA-N 445.570 1.733 0 40 IDAB C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 13296290 ILHARJDHIPSJBM-DGCLKSJQSA-N 435.506 1.739 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CN2C(=O)COc3ccccc32)c1 14227588 RSQHGTUZPCKOTL-UHFFFAOYSA-N 433.486 1.787 0 40 IDAB C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16012645 WOVDBFKGXHXRMP-ARGWBDOXSA-N 443.862 1.781 0 40 IDAB O=C(CN1CCCCC1)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 19369373 KDIJCEHDTUNANU-HXUWFJFHSA-N 425.533 1.492 0 40 IDAB COc1cc(Br)c(S(=O)(=O)NCCNC(=O)c2cccn2C)cc1OC 23025601 ZYDUHHJHZILHJY-UHFFFAOYSA-N 446.323 1.513 0 40 IDAB COc1ccc(CCNC(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)cc1 26129347 YIUGIKQDVNBTQZ-UHFFFAOYSA-N 436.390 1.482 0 40 IDAB COC(=O)CN(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 40155498 VQSYAHTYPBPNNI-SECBINFHSA-N 435.285 1.209 0 40 IDAB CN1CCC(CCNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 58210310 DRAQOSOTROFLCH-UHFFFAOYSA-N 428.986 1.984 0 40 IDAB CCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4cc(C)on4)c(=O)c3s2)C1 67226292 ICMPBKXHNOMKGA-GFCCVEGCSA-N 445.505 1.141 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CNC(=O)C1CCOCC1 72277411 ZGLLONHDWPBALV-UHFFFAOYSA-N 426.311 1.697 0 40 IDAB COc1ccc(C(=O)N2C[C@H](C)Oc3ncccc32)cc1S(=O)(=O)N1CCOCC1 89941259 DOFHZLYXZRAPKA-AWEZNQCLSA-N 433.486 1.539 0 40 IDAB COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)cc(C)n(CC(=O)O)c1=O 96221004 GYHCPLGCDVKAGC-ZDUSSCGKSA-N 435.429 1.668 0 40 IDAB biogenic CC1=C(C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)O)N(c2ccccc2Cl)CO1 102135864 OSIDWIDMHJFBPU-IFIJOSMWSA-N 437.905 1.997 0 40 IDAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](CN5C(=O)[C@H]6[C@H]7C=C[C@@H](C7)[C@H]6C5=O)(O4)[C@@H]3C2=O)cc1 102139862 GVMWDTYFFKRHRZ-FBXRHJIDSA-N 430.460 1.615 0 40 IDAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223527375 MYPXYVPAOZNOKP-HNNXBMFYSA-N 429.498 1.385 0 40 IDAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3csc(-c4ccccc4)n3)[C@H]2O)CC1 257226497 FKVVEIRVKHWZNY-VAMGGRTRSA-N 428.558 1.938 0 40 IDAB O=C(Cn1c(O)nc2ccccc2c1=O)Nc1cccc(N2CCCCS2(=O)=O)c1 524734060 RUCBHKZNVQOEMW-UHFFFAOYSA-N 428.470 1.671 0 40 IDAB O=C(CN1CCN(c2ccnc(N3CCCC3)n2)CC1)N1CCN(c2ccccc2)CC1 1889221314 RISKIGDGJXBDHJ-UHFFFAOYSA-N 435.576 1.548 0 40 IDAB COc1cc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1C 5966018 VIYGVZBWKJCELM-MRXNPFEDSA-N 427.519 1.841 0 40 IDAB CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 8774838 RSVSXZLYHOHWHX-UHFFFAOYSA-N 433.534 1.195 0 40 IDAB O=C1CN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)CCN1 9216854 YAVFAICMAAOWSU-UHFFFAOYSA-N 431.470 1.221 0 40 IDAB O=C(CNC(=O)c1ccccc1)NCC1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 9304298 OZGVSOZZAKYRGJ-UHFFFAOYSA-N 443.544 1.705 0 40 IDAB COCCCn1c(C(=O)N(CCOC)CCOC)cc2c(=O)n3cccc(C)c3nc21 9452496 WECWGAKIOGZONK-UHFFFAOYSA-N 430.505 1.729 0 40 IDAB CCOC(=O)CNC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 9519713 YWWXQWLSNVRIQY-UHFFFAOYSA-N 449.529 1.107 0 40 IDAB Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3CC(=O)c2ccccc2)n(C)c1=O 9707562 MDVNAYUMECLBHR-UHFFFAOYSA-N 446.442 1.680 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1cccnc1 9715293 FWIMLZHTXZXJGA-MRXNPFEDSA-N 436.559 1.509 0 40 IDAB CCOC(=O)c1sc2nc(COC(=O)c3nc4nccc(C)n4n3)nc(N)c2c1C 10395912 ZSRKCEXZONYNBM-UHFFFAOYSA-N 427.446 1.862 0 40 IDAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 12557896 IZGFZIQAQLDBFV-OAHLLOKOSA-N 430.530 1.620 0 40 IDAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 12642901 BWXUDOZVAQZUKE-UHFFFAOYSA-N 428.898 1.393 0 40 IDAB CCOc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(OC)cc2)cc1 13063131 BIVODMUAPFMROR-UHFFFAOYSA-N 436.486 1.232 0 40 IDAB CS(=O)(=O)c1cccc(C(=O)OCCCOC(=O)c2cccc(S(C)(=O)=O)c2)c1 14249091 CUMPFLRJHQQSEA-UHFFFAOYSA-N 440.495 1.898 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16024858 BKZUKLLYKBUEHA-ZDQHKECQSA-N 433.508 1.913 0 40 IDAB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 19023222 WGOVXUXNBJKRQU-XCGNWRKASA-N 448.541 1.437 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)c2cnn(-c3ccccc3)c2N)CC1 19572284 MSZNZFGBMKPHCA-SFHVURJKSA-N 445.545 1.300 0 40 IDAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1Cc2cn(C)nc2[C@@H](C(=O)N(C)C)C1 19701180 MMLILIDGBYCAAV-KRWDZBQOSA-N 445.545 1.232 0 40 IDAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c1 23144253 DGPFFXYYLGCNTK-CQSZACIVSA-N 430.891 1.185 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)CC1 23486467 OIIADYWLLUTRNQ-QFIPXVFZSA-N 445.472 1.027 0 40 IDAB COc1cccc([C@H](NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2nccn2C)c1 24019220 LQSXTNXCWSPRHO-FQEVSTJZSA-N 433.468 2.000 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1CC(=O)N1CCC[C@@H](C)C1 33531168 WPDCTYHYAQHFRZ-MSLRYGAZSA-N 432.517 1.480 0 40 IDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 36384054 OOOCLVDWCGKVEX-UHFFFAOYSA-N 441.532 1.196 0 40 IDAB CN(C)c1ccc(N2CCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)cc1 57405807 WAZZCTFBIGWSEW-UHFFFAOYSA-N 437.548 1.600 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCC[C@@H](c3ccnc(COC)n3)C1)n2C 58332525 PKXWFHCCICXCOP-OAHLLOKOSA-N 441.536 1.539 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 69926728 IPIXHZGPYRKEIS-HXUWFJFHSA-N 446.555 1.852 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 95442445 WELJPYWBBFTMBQ-OCCSQVGLSA-N 439.408 1.726 0 40 IDAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3)CC2)O1 96144759 IOBRUDOSIOMERO-SFHVURJKSA-N 432.546 1.734 0 40 IDAB COc1cccc(CC(=O)N2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)c1 96263155 CUQXLXOUMXPDBH-FQEVSTJZSA-N 438.528 1.973 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 107594937 LKRRKTCAAMUDSQ-UHFFFAOYSA-N 441.440 1.733 0 40 IDAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 223778086 VSKFZYNNVKCOTP-UHFFFAOYSA-N 437.499 1.969 0 40 IDAB O=C(CN1CCCS1(=O)=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 579271390 TXMTXVBGRSMRBV-CQSZACIVSA-N 444.307 1.078 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618255201 NIQQEICFTPGACA-IRXDYDNUSA-N 431.518 1.307 0 40 IDAB C[C@H](CN1CCOCC1)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1198421707 LLICGIGCDBMIEA-XLIONFOSSA-N 426.399 1.995 0 40 IDAB CC(C)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C 932551 OZWJVIWRYQTXON-UHFFFAOYSA-N 445.501 1.517 0 40 IDAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)n(CCc2ccc(F)cc2)c(=O)[nH]c1=O 2268348 SDNZGOBURBCPGB-QGZVFWFLSA-N 442.399 1.901 0 40 IDAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 8219455 VPMXFGZPBGJWNX-HNNXBMFYSA-N 425.551 1.977 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc3c(c2)OCCO3)c1 9222883 PIEKFAINMARLGV-UHFFFAOYSA-N 447.513 1.797 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)n(C)c1=O 9224081 DHDKPWWNUICHPV-CYBMUJFWSA-N 438.469 1.466 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)Nc3ccc(F)cc3)C2)cc1 9483597 YLZOXWXFESIFES-HNNXBMFYSA-N 449.504 1.990 0 40 IDAB C[C@H](c1nnc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1)N(C)C 9662072 LZYIZAIBEFVWSH-ZBFHGGJFSA-N 437.591 1.628 0 40 IDAB C[C@@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9671575 YPYIFIWNBAQYSB-CQSZACIVSA-N 433.486 1.212 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1 9671769 QMOUFDWJYOOQDK-KRWDZBQOSA-N 435.477 1.556 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 9799205 DHXHQUDSNQTRSH-UHFFFAOYSA-N 432.502 1.565 0 40 IDAB O=C(COc1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 9884977 FAWXTFRJJDEBDH-UHFFFAOYSA-N 434.499 1.710 0 40 IDAB NC(=O)[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2O1 12555029 LWMRTOHJYZHORJ-LJQANCHMSA-N 444.513 1.163 0 40 IDAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(c2ncnc3c2cnn3C)CC1 12638905 XUNDYUOWNXAWJO-AWEZNQCLSA-N 431.508 1.757 0 40 IDAB Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 12715181 YEXLQYGFVHSWQS-GXTWGEPZSA-N 431.518 1.463 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 12811624 QVEPZWMTTYPVAJ-LBPRGKRZSA-N 427.914 1.673 0 40 IDAB O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)NC1CC1 12815724 SEYUGIKASGBAPD-UHFFFAOYSA-N 433.452 1.501 0 40 IDAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1CCCCC1 12922761 ARWCFYBURKYEHV-UHFFFAOYSA-N 427.954 1.869 0 40 IDAB O=C(CSc1nnnn1Cc1ccco1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13408457 XUJBHMMCFDEXEU-INIZCTEOSA-N 426.458 1.700 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1=O 14170469 XEXQEPVZELRHRQ-NRFANRHFSA-N 427.461 1.130 0 40 IDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1c(C)nc2ncnn2c1C 14247476 QKCVUMHZVSOSSP-UHFFFAOYSA-N 435.488 1.585 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1 15583191 FEFVEADNFZQLBX-UHFFFAOYSA-N 433.534 1.436 0 40 IDAB COc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 16516621 NYCVOQFCMUDHJE-UHFFFAOYSA-N 434.514 1.833 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1OC 18130150 SVSSAKXFAJOESX-UHFFFAOYSA-N 433.530 1.917 0 40 IDAB C[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C 19076940 OTLGGJKPIWALSS-RWMBFGLXSA-N 440.547 1.596 0 40 IDAB CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnn1CC)CC2 19499865 CGCSXWQCULJROU-WMLDXEAASA-N 426.521 1.894 0 40 IDAB O=C(C[C@@H]1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)NCc1ccccc1 19817489 YKJHBWYNMPHPSN-OAQYLSRUSA-N 433.512 1.963 0 40 IDAB COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C)CC3)c(=O)[nH]c2c1 19940423 RJKWLPYUPLEYKV-PXNSSMCTSA-N 439.520 1.039 0 40 IDAB O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 21149714 QQEIKTMZCDPVIK-UHFFFAOYSA-N 438.435 1.586 0 40 IDAB COc1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2OC)N2CCOCC2)cc1 23107508 WPQUIVZSLCURAT-FQEVSTJZSA-N 427.501 1.510 0 40 IDAB O=C(CN1CCOCC1)N1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 32760176 JCVRGQLQRIGNBA-UHFFFAOYSA-N 436.350 1.484 0 40 IDAB CNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4F)c(=O)c3s2)C1 33141083 OYQRLJGIZVWSGU-GFCCVEGCSA-N 444.492 1.593 0 40 IDAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 33935998 JESAKGFQNKXLOS-DUZSJTCJSA-N 434.489 1.835 0 40 IDAB O=S(=O)(NCCN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1F 34872249 AUKMXDXZSDDFHK-UHFFFAOYSA-N 445.513 1.250 0 40 IDAB CC[C@@H](C)C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 35291078 OVZJHTQXKRNJJY-CYBMUJFWSA-N 430.484 1.195 0 40 IDAB O=C(C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccccn2)CC1 36585725 XTANPKPPKHKTDV-MRXNPFEDSA-N 437.456 1.174 0 40 IDAB O=C(Nc1nc(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1)c1ccsc1 38575664 CHLUKFPZNWPMFQ-HNNXBMFYSA-N 434.543 1.849 0 40 IDAB COc1ccccc1-n1ccn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c1=O 67256416 AJWHWNDTFODWPS-UHFFFAOYSA-N 438.459 1.496 0 40 IDAB CCN1CCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccc(C)cc2N3)CC1 72327912 VXMOAEAABNWJJD-SBUREZEXSA-N 427.549 1.412 0 40 IDAB COc1ccc(S(=O)(=O)NCCNc2ccc(-n3cccc3)nn2)c(OC)c1OC 90607792 XRCKVGMSVUFUKV-UHFFFAOYSA-N 433.490 1.684 0 40 IDAB COCCN1Cc2c(C(=O)NCc3ccccc3)ncn2-c2ccccc2S1(=O)=O 96147397 GDCGUDRNUHHZRS-UHFFFAOYSA-N 426.498 1.953 0 40 IDAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2nnnn2C)c2ccccc2)cc1 98087247 YUMCOWKXFYWACM-INIZCTEOSA-N 432.531 1.980 0 40 IDAB CCc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 105381092 TYWOLZGGOZTIIF-CMFILSDRSA-N 433.508 1.593 0 40 IDAB biogenic CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222890569 XMFWQXHWPWFYDP-MRXNPFEDSA-N 435.521 1.798 0 40 IDAB Cn1cnnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 239808074 KGGXJYXDUOSFFZ-UHFFFAOYSA-N 436.490 1.468 0 40 IDAB CC(C)N1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)[C@@H](C(N)=O)C1 257201058 AGABTFRPUTVNKU-MRXNPFEDSA-N 427.471 1.723 0 40 IDAB O=C(c1cc[nH]n1)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 257276172 NSPXQISDFMDVMZ-HNNXBMFYSA-N 427.486 1.706 0 40 IDAB O=C(COc1ccc(CN2CCCC2)cc1)NC[C@]1(O)CCCN(c2cnccn2)C1 257279728 OHXSOSOBYZGKQR-HSZRJFAPSA-N 425.533 1.599 0 40 IDAB COc1ccc(Cn2nc3n(c(=O)c2=O)CCC32CCN(Cc3nccs3)CC2)cc1 306129021 HRSXDLFRAKCYDY-UHFFFAOYSA-N 439.541 1.856 0 40 IDAB CCn1c(O)nc2cc(C(=O)N[C@H]3CCN(Cc4ccc(OC)cc4)C3=O)ccc2c1=O 523722963 AOBCYVBPELAESO-SFHVURJKSA-N 436.468 1.662 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)cc1 575615719 FNHCAUMEPRZYMB-UHFFFAOYSA-N 443.485 1.996 0 40 IDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)n1 678884416 IODAFKSPRLNUHW-KXBFYZLASA-N 434.522 1.445 0 40 IDAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)Nc1ccc(C)c(F)c1)CC2 1772595206 BYXNNGDTOUQKGD-LJQANCHMSA-N 433.528 1.563 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)c1 1888922062 KURQNCVDZRRFTL-GJZGRUSLSA-N 444.517 1.207 0 40 IDAB O=C(CN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)N1CCN(c2ccccc2)CC1 1888947735 MNZXHCPADUROMS-VXKWHMMOSA-N 432.524 1.452 0 40 IDAB O=C(O)/C=C/C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 2650295 WHADDUZFGJTOFT-ONEGZZNKSA-N 426.800 1.833 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](Sc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5084901 JCKOUAWEMPKIAT-HVTWWXFQSA-N 440.470 1.862 0 40 IDAB in-vitro COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cccc(OC)c3)c(=O)n12 8426457 ISQMATTYUBHJGP-ZBZZQJLTSA-N 436.489 1.868 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 8824307 AJDCVEVJRRFKKR-UHFFFAOYSA-N 440.431 1.635 0 40 IDAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 9048327 OOXIDLCDIOGFCJ-SFHVURJKSA-N 432.498 1.206 0 40 IDAB Cc1ccnc(SCCn2c(N3CCC[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1 9124299 CIUPCALYWQUPSI-ZDUSSCGKSA-N 429.550 1.561 0 40 IDAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1ccccn1 9306512 UBESLJDSHIGNQD-JKSUJKDBSA-N 448.520 1.443 0 40 IDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 10755523 XYSBCJWUHFEGMT-OALUTQOASA-N 440.500 1.773 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 13686496 YZNYLKDMHWEYPW-UHFFFAOYSA-N 445.545 1.235 0 40 IDAB Cn1c(=O)c2ccccc2n2c(COC(=O)c3ccccc3NS(C)(=O)=O)nnc12 18263473 ORQKVWNSVFPVMX-UHFFFAOYSA-N 427.442 1.310 0 40 IDAB Cc1c(C(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)sc2ncn(C)c(=O)c12 18667279 LDYHTYJDQUZCEE-UHFFFAOYSA-N 436.453 1.555 0 40 IDAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCOC3)[nH]c(=O)c2C1 19239460 WEZPOXPPKBVNTH-BEFAXECRSA-N 437.500 1.372 0 40 IDAB C[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)CCc1n[nH]c(=O)c2ccccc12 19574224 IJWSSNICVMBOCE-LBPRGKRZSA-N 425.470 1.939 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CN3CCCCCC3)C1)C2=O 19699751 OGYPWYNVPLUOFI-SFHVURJKSA-N 447.580 1.176 0 40 IDAB COc1ccccc1NC(=O)c1cc2c(nc1N)CCN(S(=O)(=O)N1CCCC1)C2 19700615 PWECDMSKPAMXEC-UHFFFAOYSA-N 431.518 1.623 0 40 IDAB Cc1nc([C@H]2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)ncc1C(=O)N1CCCC1 19757731 WGHYQHPMCJCMET-KRWDZBQOSA-N 448.527 1.841 0 40 IDAB OC[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@H](N2CCN(c3ccc(F)cc3)CC2)[C@@H]1O 20465411 SNYPKWYYTPTELC-WZYRSQIMSA-N 433.499 1.366 0 40 IDAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCOC2CCCCC2)c1 21971826 HALDXPSBHQCXPN-UHFFFAOYSA-N 427.567 1.734 0 40 IDAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N[C@@H](c1ccccc1)c1cccs1 22920081 GNAJRYCDMFBJJX-NQIIRXRSSA-N 433.599 1.758 0 40 IDAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CN3CCOCC3)CC2)cc1 23674154 FJPLGJDUBRILPR-AZUAARDMSA-N 425.595 1.200 0 40 IDAB CC(C)Cn1c(SCCOc2ccc(S(N)(=O)=O)cc2)nnc1N1CCOCC1 24171814 RBLUMLHIZXRLIJ-UHFFFAOYSA-N 441.579 1.589 0 40 IDAB CN(CCOc1ccc(Br)cc1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 24986220 JKLVSMQEMRLZKD-UHFFFAOYSA-N 447.289 1.546 0 40 IDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)cnc21 30867759 DZMVWYNYEFQRJR-UHFFFAOYSA-N 426.473 1.827 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 35898262 XBOKQNSWCGYWGW-WCIQWLHISA-N 442.493 1.800 0 40 IDAB Cc1oc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc1S(=O)(=O)N1CCCC1 48277047 ATKMZUOOZRZFKG-UHFFFAOYSA-N 434.518 1.534 0 40 IDAB Cc1nc(NCCN2CCN(S(C)(=O)=O)CC2)c2cnn(-c3cccc(Cl)c3)c2n1 48368928 ZZGHOKBPAJZNOR-UHFFFAOYSA-N 449.968 1.766 0 40 IDAB COc1ccc(CCN2CC(=O)N(c3ccc(OC)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 55408599 DSFWKBREMJZELW-LEWJYISDSA-N 430.526 1.761 0 40 IDAB Cn1nc(Br)c2c(=O)n(CC(=O)Nc3ccccc3Cn3cncn3)cnc21 65551848 GGCXEATYTUITBZ-UHFFFAOYSA-N 443.265 1.171 0 40 IDAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1O2 72327803 MCRDORIAGVSXFF-NRJQMVOHSA-N 449.573 1.126 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 223689852 FSJPQYZOZBLFLR-UHFFFAOYSA-N 430.479 1.656 0 40 IDAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238905474 RUXDXSALYQYEIA-QZTJIDSGSA-N 433.464 1.622 0 40 IDAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccc3OC)[C@H](N(C)CCO)[C@H]2O)c1 257291440 QGZDLTJWRDCDDZ-YJMBLLCNSA-N 430.501 1.307 0 40 IDAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 409047290 OCDDWNQAYFTUGE-NARAOEGZSA-N 435.816 1.614 0 40 IDAB CCCCN(CC(=O)CN(CCCC)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 575420572 CGRLUQHATSOVDH-HDICACEKSA-N 436.640 1.134 0 40 IDAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)c5c(C)noc5C)C[C@H]4C3)ncn2)n1 585617363 WKGVSQPSHHFCEC-CALCHBBNSA-N 443.533 1.641 0 40 IDAB NC(=O)CN1CCN(C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CC1=O 622691456 MEGWNZATPDDQDG-UHFFFAOYSA-N 426.420 1.528 0 40 IDAB Cc1ncnc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)c1F 1775975428 HBMNQIIHGLILGV-UHFFFAOYSA-N 433.465 1.088 0 40 IDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCCCC2)cc1 1379313 BWOPMOAOFZQAPJ-SFHVURJKSA-N 443.591 1.539 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)NC(N)=O)n2C)c1 2628186 HGPAYBCWNLRJQC-LLVKDONJSA-N 440.551 1.188 0 40 IDAB CCCOc1c(Cl)cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OCC 8824727 TYTIMQSOXGKDPV-ZDUSSCGKSA-N 433.910 1.988 0 40 IDAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCc1ccncc1 9344259 BTIVAAZMWVVSKQ-HNNXBMFYSA-N 448.520 1.443 0 40 IDAB O=C(Cn1cc(S(=O)(=O)CC(=O)N2CCOCC2)c2ccccc21)N1CCCCCC1 9519785 GMPYCRVQWLPNAR-UHFFFAOYSA-N 447.557 1.676 0 40 IDAB O=C(NCCCc1ccccc1)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 9806966 DQAHRALWNACSFD-QGZVFWFLSA-N 435.571 1.766 0 40 IDAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCc1ccc(F)cc1 11904724 NLRUYLPJQHYJRM-UHFFFAOYSA-N 426.491 1.988 0 40 IDAB O=C(NCCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 13007698 QHZUHZBSAVETRJ-QGZVFWFLSA-N 432.498 1.845 0 40 IDAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 13041782 KYGQHFSUKXKKNQ-HRAATJIYSA-N 435.546 1.397 0 40 IDAB CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cn2)cc1 13809111 FCYFAMBQMOGXQE-UHFFFAOYSA-N 436.468 1.887 0 40 IDAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(S(=O)(=O)c1ccccc1)C2 19708715 ZXDVGDBJDCQWTI-INIZCTEOSA-N 429.546 1.991 0 40 IDAB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccsc2)CC1 22766230 FSSIIVVMBPFGEP-KRWDZBQOSA-N 430.530 1.198 0 40 IDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCN(CCOc2ccccc2)CC1 23642189 TUPBWXWNUQNFFG-UHFFFAOYSA-N 442.541 1.338 0 40 IDAB CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 24444925 XPNZAAJGUNMODI-UHFFFAOYSA-N 429.376 1.936 0 40 IDAB CN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 30756532 OWIRZWGWAPZLDX-UHFFFAOYSA-N 440.585 1.121 0 40 IDAB CN(C)C(=O)N1CCC(C(=O)Nc2cc(C(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)CC1 40088478 IHIBDIUZFJLKRM-HNNXBMFYSA-N 439.582 1.872 0 40 IDAB CCOc1ccc(-c2cc(=O)n(CCCC(=O)N3CCN(S(C)(=O)=O)CC3)cn2)cc1 49428209 FRILIIJFWLFNSY-UHFFFAOYSA-N 448.545 1.193 0 40 IDAB COc1ccc(OC)c(CCN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 55408462 SPWCARZIVZOXHP-VQTJNVASSA-N 430.526 1.761 0 40 IDAB C[C@@H]1CCCN(CCCNC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)C1 72326211 VPOWUNSYBKEPHO-HXOBKFHXSA-N 442.564 1.184 0 40 IDAB CS(=O)(=O)N1Cc2ccccc2OC2(CCN(C(=O)CCCN3CCCC3=O)CC2)C1 72394363 SZUKVVCOJHHGFB-UHFFFAOYSA-N 449.573 1.604 0 40 IDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222818216 RXUFCLGZNAPTKQ-YOEHRIQHSA-N 445.969 1.244 0 40 IDAB COc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)s2)cc1 223150778 QTBDPPFAMVYYQA-CYBMUJFWSA-N 425.536 1.671 0 40 IDAB CCn1cccc1-c1noc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 225768765 QXHLECRLMNWISP-UHFFFAOYSA-N 445.501 1.509 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253500144 XVGNADCCCZEHRJ-WHZJULEDSA-N 438.429 1.457 0 40 IDAB biogenic CCOc1ccc(Cc2cc([C@@]34OC[C@@](CO)(O3)[C@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1 255987060 MCIACXAZCBVDEE-ZSYZGHEHSA-N 436.888 1.357 0 40 IDAB CN(C(=O)Cn1c(C(F)(F)F)nc2ccccc21)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257220415 DKUDEDFUGFZQDU-JFIYKMOQSA-N 426.439 1.738 0 40 IDAB COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4nccs4)C2)C3)cc1 306130218 IZJBLFWIOQMTFR-OAQYLSRUSA-N 425.514 1.367 0 40 IDAB CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC(F)(F)C2)cc1F 610795009 ZSQPOWQFCZOQOL-PWSUYJOCSA-N 429.395 1.750 0 40 IDAB COc1ccc(CN2[C@@H]3CN(C(=O)NCc4ccccc4)C[C@@H]3OCCS2(=O)=O)cc1 1534645870 ODFYSQXKIKMZRQ-RTWAWAEBSA-N 445.541 1.820 0 40 IDAB CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(nc1O)CCC[C@@H]2O 1566433949 AXTIJLSCEYSHRH-PMACEKPBSA-N 426.517 1.176 0 40 IDAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)Cc5ccccc5F)C[C@H]4C3)ncnc21 1888930523 JGXGAMBIOQEVGW-HZPDHXFCSA-N 430.509 1.883 0 40 IDAB CS(=O)(=O)N1CCC(N2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 2037946955 CUQWPICJBRGIMN-SFHVURJKSA-N 436.933 1.345 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1OC 1481429 VKHJDBLZCWNLIO-UHFFFAOYSA-N 433.490 1.424 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](n2c(Br)nc3c(N)ncnc32)[C@H]2OC(C)(C)O[C@@H]12 4823705 SPIGLDZVEURWTD-OEINEHKASA-N 428.243 1.152 0 40 IDAB CCCCOCCOCCOCCN(CCO)CCOCCOCCOCCCC 5420245 GGCYMASZAGGKBY-UHFFFAOYSA-N 437.618 1.981 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(c2nnnn2-c2ccccc2)CC1 9126090 OKGZMWLKARQSKU-UHFFFAOYSA-N 442.501 1.335 0 40 IDAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 9313715 OUPLQZTYGORCOM-AWEZNQCLSA-N 426.539 1.906 0 40 IDAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1cccnc1 9344667 OJCQWMFVTLYXRB-OAHLLOKOSA-N 434.493 1.766 0 40 IDAB CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1ccc(F)cc1 9499687 UEVKVHUQSAFOFX-GOSISDBHSA-N 442.534 1.266 0 40 IDAB CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccccc1C 9974858 KJHQVFWBNCVROC-WHZJULEDSA-N 437.445 1.030 0 40 IDAB COc1ccc(OC[C@@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 10385769 DNWBISQKNSCGSA-HNNXBMFYSA-N 445.520 1.340 0 40 IDAB CCCCn1c(N)c(N(CCOC)CC(=O)Nc2ccc(F)cc2F)c(=O)[nH]c1=O 10565133 VWVZDGNBRLYPMO-UHFFFAOYSA-N 425.436 1.289 0 40 IDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 12390074 DMGZFVUIFUQCPC-UHFFFAOYSA-N 440.500 1.070 0 40 IDAB CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc1C 12409973 OBGOWYSIEKCRBL-UHFFFAOYSA-N 439.515 1.901 0 40 IDAB Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 12875078 HIANQMRXMBJCIV-XMSQKQJNSA-N 436.472 1.486 0 40 IDAB COc1cccc(C(N)=O)c1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 13040425 KUUCYWYEESPPAY-UHFFFAOYSA-N 447.513 1.986 0 40 IDAB COC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 13647057 NEZOTEKOIZPAJJ-ZDUSSCGKSA-N 426.491 1.024 0 40 IDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 14170570 HJJCXUHMTNXRHZ-FQEVSTJZSA-N 440.475 1.409 0 40 IDAB C[C@@H](OC(=O)CCN1C(=O)COc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 14247086 IJRFEJKOBHOVKQ-CQSZACIVSA-N 426.425 1.779 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 15959501 BDRXNLLNSXNAAR-YWTZNMIMSA-N 449.463 1.025 0 40 IDAB Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)n1 17053068 UDJDSRMUNNSABW-UHFFFAOYSA-N 431.562 1.749 0 40 IDAB CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccccc1F)c(=O)n2C 19625721 KIABEYYERHTOBQ-UHFFFAOYSA-N 441.463 1.663 0 40 IDAB O=C(c1ccno1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699459 PVNOOFGLCWCDEX-UHFFFAOYSA-N 437.500 1.866 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19720303 QHLXCBWAGPWVSJ-KRWDZBQOSA-N 445.541 1.735 0 40 IDAB CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)C(C)(C)O)CCO3)nc3ccccc23)CC1 19762507 XZSJTTPSTBNRHD-FQEVSTJZSA-N 426.517 1.293 0 40 IDAB CSc1cccc(NC(=O)Cn2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)c1 20575010 DRUFJOKJCBQXIC-UHFFFAOYSA-N 440.485 1.880 0 40 IDAB CCN1CCN(c2ccc(NC(=O)CN3CCN(CC(=O)N4CCCC4)CC3)cc2)CC1 22804212 PRBQOJABGVVBDM-UHFFFAOYSA-N 442.608 1.007 0 40 IDAB COc1cccc([C@@H](CNC(=O)C(=O)NCc2ccccc2OC)N2CCOCC2)c1 23107144 PRPJGOAPPOZGRD-HXUWFJFHSA-N 427.501 1.510 0 40 IDAB Cc1ccc(NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2F)c(C)c1 23551303 PADGHSGPJWERIS-UHFFFAOYSA-N 437.449 1.612 0 40 IDAB O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)NCCc1c[nH]c2ccccc12 35388157 RMFRGNAYHWVIKN-QHCPKHFHSA-N 448.523 1.811 0 40 IDAB O=C(CCN1CCC[C@@H](C(=O)Nc2cnccn2)C1)Nc1ccc(N2CCOCC2)cc1 40149661 OXZNYKQGPBSJNC-GOSISDBHSA-N 438.532 1.993 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccc(F)cc1 44886107 JCHCYKSTRIKKGK-UHFFFAOYSA-N 431.493 1.941 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(CN3CCOC3=O)cc2)C[C@H](C)O1 58129815 YYVHDBLDQOBFOI-GJZGRUSLSA-N 440.522 1.199 0 40 IDAB Cc1nc([C@@H]2CCCCN2CC(=O)Nc2nccs2)ncc1C(=O)N1CCOCC1 72345533 HXVRQBLRHNEYMT-INIZCTEOSA-N 430.534 1.880 0 40 IDAB CC(C)CONC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 96012461 UFUZYGNNPBFYBX-CYBMUJFWSA-N 425.429 1.322 0 40 IDAB COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OC)cn1CC(=O)NC(C)C)CC2 96114401 MLTSJGOOVDOIGH-UHFFFAOYSA-N 429.517 1.957 0 40 IDAB biogenic O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)NCc1ccccc1F 98213102 ARKYLFLDDUXGCZ-UHFFFAOYSA-N 427.411 1.295 0 40 IDAB CSCC[C@H](NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)O 102819703 MSCBIGHCTPDBAI-VBQJREDUSA-N 433.530 1.819 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222611447 BKZARYFEIRDVEH-CYBMUJFWSA-N 433.461 1.134 0 40 IDAB COc1ccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1OC 224987590 RSBSPGUOXIDIDN-UHFFFAOYSA-N 449.529 1.945 0 40 IDAB CCS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 260903813 QKTYRLNIPKSOHP-INIZCTEOSA-N 448.497 1.570 0 40 IDAB O=C(Cc1cccnc1)N1CC2(C1)CN(c1ncccn1)C[C@@]21C(=O)Nc2ccccc21 306135941 PEZUUOPACAMGOE-XMMPIXPASA-N 426.480 1.653 0 40 IDAB CN(C1CN(c2ccc3nncn3n2)C1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 1565520788 PIXVRYLYMCRXEP-UHFFFAOYSA-N 426.424 1.794 0 40 IDAB COc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(OC)cc4OC)sc3nc2=O)cc1 2253553 CMGXMMYSYLHYPA-ODLFYWEKSA-N 437.477 1.676 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC(=O)Nc1ccc2c(c1)OCCO2 3463819 NTOSTWNCGFSOTR-QFIPXVFZSA-N 436.424 1.499 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 5321959 PKYVNRZZKVDLSJ-DOTOQJQBSA-N 425.485 1.878 0 40 IDAB O=C(O)CNC(=O)C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)c1ccc(Cl)cc1 8764404 XIYITRQCSCMGIO-HKUYNNGSSA-N 429.904 1.845 0 40 IDAB biogenic CCN(C(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2)C1=O)[C@H]1CCS(=O)(=O)C1 9041329 WLPGKGMUPYCTLI-FBKCMUNRSA-N 438.527 1.767 0 40 IDAB CCCn1nc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 9452247 SFGDWNQNBOAVGH-UHFFFAOYSA-N 444.469 1.249 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1OC 9526111 CQKPVQPTHPBKOT-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB COc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 9806049 IFVBOJCHTVENCB-QGZVFWFLSA-N 431.514 1.281 0 40 IDAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4cccc(OC)c4)c(C)cn23)n(C)c1=O 9829387 HLMAPPGSNDUWEI-UHFFFAOYSA-N 425.445 1.409 0 40 IDAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)c(C)n23)n(C)c1=O 9829495 ORBDCOAYFHNJOI-UHFFFAOYSA-N 427.436 1.848 0 40 IDAB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(Cl)cc1 9968523 MEUXRWPSGKEJIB-BZSNNMDCSA-N 443.836 1.637 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2nc(-c3ccco3)no2)CC1 12952317 OBRWUFVLRVJMFB-UHFFFAOYSA-N 446.485 1.997 0 40 IDAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)NC(=O)Nc1ccc2c(c1)OCCO2 13125945 PVFGUTWUPCPUEX-UHFFFAOYSA-N 444.425 1.158 0 40 IDAB COc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O 13479820 ZIRPPMDGMHCGEC-UHFFFAOYSA-N 447.513 1.572 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)c(=O)[nH]c1=O 14655963 YWHXLFTWDUGWID-CQSZACIVSA-N 443.504 1.252 0 40 IDAB Cc1c(OCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)ccc2c1oc(=O)c1ccccc12 15955763 IORPODXKAPDURQ-HXUWFJFHSA-N 440.452 1.975 0 40 IDAB biogenic O=C1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CN1Cc1ccccc1 16695073 SQTOYNZHPWFUFT-KNQAVFIVSA-N 449.507 1.546 0 40 IDAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(F)ccc1F)C(=O)OC 20720583 YFZDEDFEWYXBAY-MAUKXSAKSA-N 436.415 1.840 0 40 IDAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1 25285948 CAEKYRLNLXLXRY-UHFFFAOYSA-N 447.557 1.972 0 40 IDAB CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccccc2)n(C2CCCC2)c1=S 32594353 HJKQNVULGADNMX-HGJKNBTDSA-N 448.545 1.312 0 40 IDAB biogenic COc1ccc(CCN2CC(=O)N(c3cccc(OC)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 57179743 CULXIHMKODXMBC-LEWJYISDSA-N 430.526 1.761 0 40 IDAB CS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1F 79071998 WDIHAEYVKXNPME-UHFFFAOYSA-N 444.481 1.515 0 40 IDAB Cc1c(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)nnn1-c1cccc2cnccc12 79094304 KGORVHKPFUEUHH-WBVHZDCISA-N 428.518 1.572 0 40 IDAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2c(C)[nH]c(=O)[nH]c2=O)c1 95964553 WPDVVYRGILRWQP-UHFFFAOYSA-N 430.442 1.433 0 40 IDAB CCOC(=O)N1CCc2nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)cc2C1 96105711 KOMVSMJSEHBYEE-UHFFFAOYSA-N 425.489 1.107 0 40 IDAB CC(C)n1[nH]cc/c1=N\C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 104999548 ZZKCNSMONNURRD-RELWKKBWSA-N 447.517 1.607 0 40 IDAB C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 107075936 ILLGNPXGINGWKR-OAGGEKHMSA-N 429.608 1.772 0 40 IDAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CCOc2ccccc21 222794185 IISYOSMCDULFKH-UHFFFAOYSA-N 432.498 1.820 0 40 IDAB NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCCN3CCOCC3)c2)C1 257337891 YUXVREZGPBREGL-DEOSSOPVSA-N 438.528 1.452 0 40 IDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)cc(I)c2O)C1=O 408548260 FHJWEUFXHNBCFT-YCRREMRBSA-N 436.589 1.716 0 40 IDAB COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1C(=O)N1CCC(C)CC1 408706078 UTSMERIEGNCSKK-UHFFFAOYSA-N 439.578 1.568 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2)cc1 408713303 RWTVCMQPDBEGBF-UHFFFAOYSA-N 440.319 1.954 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)c1 575421656 KTACUIQNTJGFEH-DLBZAZTESA-N 441.527 1.053 0 40 IDAB CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O 643563042 HJDKDQCULUXMFC-NJAFHUGGSA-N 447.532 1.714 0 40 IDAB Cc1ccn(-c2ccc(N3CCN(CCCN4C(=O)c5ccccc5C4=O)CC3)nn2)n1 2087158701 QANLNUWKNGSDDV-UHFFFAOYSA-N 431.500 1.779 0 40 IDAB CCOC(=O)c1ccc(N2CN=c3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n3C2)cc1 2158736 JAGNSZGMXDRHJM-HNENSFHCSA-N 448.504 1.317 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2)CC1 8870925 KBQHLWOOBFVVRX-UHFFFAOYSA-N 437.547 1.767 0 40 IDAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 9463957 SLWOLCOSOUAHBU-GOSISDBHSA-N 445.541 1.881 0 40 IDAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 9633079 MHKOHYPSMDFTLY-CQSZACIVSA-N 447.513 1.920 0 40 IDAB COc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 9806260 ZFBUYZIELCPJLQ-INIZCTEOSA-N 431.514 1.912 0 40 IDAB CCCn1c(SCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)n[nH]c1=O 9963527 UEUBMCXCXXWEST-UHFFFAOYSA-N 428.492 1.655 0 40 IDAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 11317460 JHSUQPBZHDETHJ-JOCHJYFZSA-N 438.440 1.822 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)o2)nn1C 12443141 KLLNQGQIJCAQKS-LBPRGKRZSA-N 436.519 1.879 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)n1 13086608 SQWSERNNKXIJLG-UHFFFAOYSA-N 433.515 1.933 0 40 IDAB CCC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13097197 AQOLRNSBSPXSQE-MRXNPFEDSA-N 425.551 1.459 0 40 IDAB Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 14850096 ZGGSBEWSORLGAF-UHFFFAOYSA-N 447.542 1.136 0 40 IDAB COc1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 15881634 RUYIUQMRVDYYCC-UHFFFAOYSA-N 447.557 1.749 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCN(C(=O)CCc4ccccc4)C3)[nH]c(=O)c2C1 19520425 PBDGLMCZSYNMSX-QGZVFWFLSA-N 444.557 1.426 0 40 IDAB CCOc1cc(CCC(=O)N2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)on1 19532303 BUMRGWTUTUAWPO-UHFFFAOYSA-N 426.473 1.770 0 40 IDAB Cc1nc(CN(C)CC(=O)N2CCCC2=O)nc2c1CCC(=O)N2CCc1ccccc1 19698567 JMSMDAZAXBNVAZ-UHFFFAOYSA-N 435.528 1.888 0 40 IDAB Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccccc1Cl 20051989 HTWFEUCRBJMMFT-UHFFFAOYSA-N 442.907 1.433 0 40 IDAB CS(=O)(=O)N1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 25575104 OWVAECKRMSAHDF-UHFFFAOYSA-N 434.484 1.811 0 40 IDAB Cc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 35374782 DOUIWKYWWJPRLI-HSVZDLBDSA-N 439.899 1.950 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1OC 38849009 JWEHPJQQTTZKNB-IBGZPJMESA-N 434.514 1.980 0 40 IDAB COc1ccc(N2C[C@H](C(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3)CC2=O)cc1 57416715 XBRXLHQEXSIVPO-GOSISDBHSA-N 435.480 1.488 0 40 IDAB COc1cc(C(=O)N[C@H]2CCCS(=O)(=O)c3ccccc32)cc(OC)c1OCC(N)=O 58172383 DDHBTTFOXLETRH-HNNXBMFYSA-N 448.497 1.607 0 40 IDAB CCn1cnnc1CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 58264918 VWENKUYUHMIIIQ-SFHVURJKSA-N 437.522 1.079 0 40 IDAB OCCN(CCO)c1nc(N2CCCCC2)c2nc(Cl)nc(N3CCCCC3)c2n1 65739894 CWZFYGCEBHRUNO-UHFFFAOYSA-N 435.960 1.845 0 40 IDAB in-vitro Cc1ccc(S(=O)(=O)CC(=O)CSc2nnc(-c3ccco3)n2CCC(N)=O)cc1 95399216 XSODBYFEGLJSPG-UHFFFAOYSA-N 448.526 1.857 0 40 IDAB Cc1cccn2cc(COc3ccccc3C(=O)NC[C@@H]3CS(=O)(=O)CCO3)nc12 95454251 CVFVFSCJIAQZEP-QGZVFWFLSA-N 429.498 1.765 0 40 IDAB CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)c4ccccc4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143738 CRQABISGNHTERE-PGRDOPGGSA-N 433.574 1.669 0 40 IDAB CN(C)C1CCN(C(=O)C2=NO[C@]3(CCN(S(=O)(=O)c4cccs4)C3)C2)CC1 96225674 JCMHIWBXRIEYPZ-GOSISDBHSA-N 426.564 1.210 0 40 IDAB CC(C)C[C@H](C(=O)OCC(=O)Nc1sccc1C(N)=O)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 103125807 JHQJSMXNCJJRPE-KCQAQPDRSA-N 447.513 1.695 0 40 IDAB O=S1(=O)C=C[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 105827641 LAWPMYKEAODRCP-QMMMGPOBSA-N 431.127 1.801 0 40 IDAB C[C@@H](C(=O)NCCCN1CCOCC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220199470 QUHFILVNZMTHJZ-AWEZNQCLSA-N 437.484 1.698 0 40 IDAB CN1CCN(CC(=O)N2N=C(c3ccccc3NS(C)(=O)=O)C[C@H]2c2ccco2)CC1 226818051 MOYKWAQTKDKAJX-IBGZPJMESA-N 445.545 1.576 0 40 IDAB COc1ccccc1CCN1C[C@H](C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CC1=O 257198903 LIUIEGUMRMJMRD-DFQSSKMNSA-N 435.524 1.894 0 40 IDAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)COc1ccc(CN2CCCC2)cc1 257256816 KNALJHMGBZKSRI-DEOSSOPVSA-N 439.560 1.941 0 40 IDAB CN1C[C@H](C(=O)NCCc2ccccc2)OC2(CCN(C(=O)c3ccn(C)n3)CC2)C1 306143384 YAVBGFSRUAWSGT-HXUWFJFHSA-N 425.533 1.084 0 40 IDAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 409188352 GZUFPPTVIMMAAY-UHFFFAOYSA-N 441.531 1.428 0 40 IDAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 575423121 OFRYEYYAWCKBIS-QZTJIDSGSA-N 444.575 1.924 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N[C@@H]3CS(=O)(=O)C[C@@H]3O)cc2)c1 575423337 PLJHBUIFHUJOMB-CVEARBPZSA-N 442.515 1.074 0 40 IDAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1 575426590 WNHMMEWOLKBMQJ-DLBZAZTESA-N 441.527 1.053 0 40 IDAB CN(C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1)S(=O)(=O)c1cccc(F)c1 1775970370 DIYJCPKBJHZJQD-UHFFFAOYSA-N 439.476 1.835 0 40 IDAB COCCNC(=O)[C@H]1C[C@@H](NC(=O)NC2CC2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O 2332241770 FNJMYOSRWGLHLK-QFHJOOASSA-N 427.505 1.134 0 40 IDAB COc1ccc(C(=O)OCC(=O)NC2CC2)cc1S(=O)(=O)N(C)Cc1ccccc1 3506876 LJYQUQBBOGFPDE-UHFFFAOYSA-N 432.498 1.951 0 40 IDAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1 6924561 UXZLTMMJTDJRPB-UHFFFAOYSA-N 436.486 1.742 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 7058371 XUPYAENQOMYZOY-SFHVURJKSA-N 425.551 1.989 0 40 IDAB O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 8709338 BBSFZOVCXMTUFR-OAHLLOKOSA-N 435.575 1.653 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)CC2=O)cc1 8816496 QNAOSLOPEYYQBC-AWEZNQCLSA-N 431.470 1.512 0 40 IDAB O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)NCc1ccc2c(c1)OCO2 9001401 BFESNVYAAKLHEJ-UHFFFAOYSA-N 445.435 1.047 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H](O)c3ccccc3)C2)cc1 9303670 WKAPESNSXAEIAF-RXVVDRJESA-N 445.541 1.896 0 40 IDAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)NCCSc2ccc(Cl)cc2)n(C)c1=O 9669746 NGTHKPAZFFVRJY-UHFFFAOYSA-N 442.328 1.649 0 40 IDAB O=C(NCc1ccncc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9962906 DUYYKFZVYXBOMC-UHFFFAOYSA-N 430.530 1.633 0 40 IDAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 10256104 JONYYDDOOIHWBN-FQEVSTJZSA-N 443.525 1.415 0 40 IDAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)CN2CCCCC2)CC1 12133242 VHPXUDVWHJOPBC-UHFFFAOYSA-N 435.594 1.672 0 40 IDAB COc1ccccc1NC(=O)CNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 12139905 BODVAWUTDKJLSN-SEFVSHJNSA-N 436.461 1.146 0 40 IDAB biogenic Cc1ccc(C(=O)N2CCC(c3nc(N4CCOCC4)ncc3S(C)(=O)=O)CC2)o1 12156450 NZSFAJBDZASNKL-UHFFFAOYSA-N 434.518 1.638 0 40 IDAB COc1cc2c(cc1CN1CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C1)OCO2 12184680 MZNBBBKPCWGQGY-OKILXGFUSA-N 428.489 1.679 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(=O)[nH]c1=O 12853094 JXTJPECKAFHPAL-GJZGRUSLSA-N 447.536 1.083 0 40 IDAB O=C([C@@H](c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCOCC1 15485245 YEUYDVIVROSDQO-JOCHJYFZSA-N 443.569 1.734 0 40 IDAB CC(C)CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 15971391 VPSKZLZZDXBAEK-KRWDZBQOSA-N 428.576 1.756 0 40 IDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2ccccc2n1C 16235161 CWPGAORBAMVPAC-IBGZPJMESA-N 425.514 1.953 0 40 IDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)CC(=O)Nc3cccc(F)c3)C2=O)cc1 18006334 FOMVWXBOGZGFNZ-JOCHJYFZSA-N 426.448 1.998 0 40 IDAB Cc1cc2c(cc1Br)C(=O)[C@@](CN1CCOCC1)(N1CCOCC1)CO2 19203042 LKUFHQBIRHUAHY-IBGZPJMESA-N 425.323 1.736 0 40 IDAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)Cn3ccc(=O)[nH]c3=O)cc2N1 19520726 AWCHTVYDPXIPRV-MRVWCRGKSA-N 440.426 1.794 0 40 IDAB COc1ccc(CN2CCc3c(O)nc([C@H]4CCN(C(=O)Cn5cccn5)C4)nc3C2)cc1 19555641 KGYCMJPTHQERTC-SFHVURJKSA-N 448.527 1.962 0 40 IDAB Cc1nc([C@@H]2CCN(C(=O)c3cccc(OCCN4CCOCC4)c3)C2)ncc1C(N)=O 19758131 PGVPELQEKSLERC-GOSISDBHSA-N 439.516 1.225 0 40 IDAB O=CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)CC1 19868711 ZBLPUFRFOLKILO-UHFFFAOYSA-N 431.917 1.322 0 40 IDAB Cc1cc2c(c(Br)c1C)OC[C@@](CN1CCOCC1)(N1CCOCC1)[C@H]2O 22942759 IKDQRRJWCKHGHC-VQTJNVASSA-N 441.366 1.895 0 40 IDAB C[C@@H](Sc1nnc(CCC(N)=O)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 23368609 DLWFUDSPOOLQSI-TZMCWYRMSA-N 447.517 1.723 0 40 IDAB CCCOc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1OC 32937379 KINQCEQJTSFTGO-UHFFFAOYSA-N 449.529 1.989 0 40 IDAB O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 32983307 MEXIKBGEIPGLTL-NRFANRHFSA-N 448.479 1.367 0 40 IDAB CC(C)[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C[C@@H]([C@H]2C=C[C@@H](C)C2)C1=O 35982629 WBHZECPWZFPNII-BDFQZXNOSA-N 433.530 1.884 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 38602766 ZGESPMQDAVYEGA-UHFFFAOYSA-N 430.479 1.656 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(CC)S(=O)(=O)c2cc(F)ccc2OC)CC1 39986355 FERYSFCPBDYLBF-UHFFFAOYSA-N 430.498 1.647 0 40 IDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)CCNC(=O)c1ccc(Cl)cc1 41157820 VSQDCEWNLBOIII-MRXNPFEDSA-N 425.913 1.670 0 40 IDAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccnc(-n2ccnc2C)c1 57996065 MTRKYYQFTDOGKF-HXUWFJFHSA-N 439.541 1.969 0 40 IDAB O=C(c1cccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1)N1CCC[C@H](O)C1 58244453 DFYZYJDDOBMVDQ-KRWDZBQOSA-N 446.529 1.648 0 40 IDAB CC(C)NC(=O)CN(C)C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 89885229 VKIGSKKCQUVEQZ-UHFFFAOYSA-N 436.578 1.288 0 40 IDAB COC(=O)Cn1/c(=N\C(=O)CS(=O)(=O)Cc2ccccc2)sc2cc(OC)ccc21 101142322 FCOMBAZDPIVLJS-QZQOTICOSA-N 448.522 1.927 0 40 IDAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C(=C(N)S[C@H]2C1=O)C(=O)Oc1ccccc13 107165397 VDJYLKBQDGNOHS-BFYDXBDKSA-N 436.445 1.951 0 40 IDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCSc2nc(C)n[nH]2)cc1 222660228 AFAMYEWLWMMRCU-GFCCVEGCSA-N 427.552 1.477 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222792760 XMHKMVZZJNDZDY-INIZCTEOSA-N 433.530 1.625 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2CN2CCOCC2)cc1 223124980 GQUDJEBIXMIVGP-UHFFFAOYSA-N 447.557 1.464 0 40 IDAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 223184424 NYPBFZDZNCNUOG-LJQANCHMSA-N 435.521 1.403 0 40 IDAB CS(=O)(=O)N1CCC(c2ccc(C(=O)NCc3ccc4[nH]c(=O)[nH]c4c3)cn2)CC1 257308048 TVFDTFCCCJITDN-UHFFFAOYSA-N 429.502 1.320 0 40 IDAB CNC(=O)c1cccc([C@H]2CN(C(=O)[C@](F)(Cc3ccccc3)NC(C)=O)CCN2C)c1 1848352680 MZPWWMBTNLOLGB-QPPBQGQZSA-N 440.519 1.906 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccccc1F 1868193 IQLSZVMLAQTHNX-IBGZPJMESA-N 448.332 1.805 0 40 IDAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)c2C)no1 3502456 BPHXSSNOKLCLQC-UHFFFAOYSA-N 436.424 1.820 0 40 IDAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NCc3ccccc3OC)CC2=O)cc1 5245753 NHCCSUQEOYARHG-DOTOQJQBSA-N 425.485 1.878 0 40 IDAB COc1cc(/C=C/c2ccc(OC)c(OC)c2)cc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1 5811540 KHKHFCBOAIPKGG-QPWFNFDBSA-N 448.468 1.062 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](n2ccc3ccccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 8671442 LCOUBIHGTOPVKV-LILSUDLASA-N 447.440 1.897 0 40 IDAB COc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(C)=O)c(=O)n(C)c4nc23)c(OC)c1 8708384 LOCWMHRSVJXVBL-UHFFFAOYSA-N 425.445 1.362 0 40 IDAB COCCNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 8790363 BOBSNKWYXIJIFZ-FSJXIACGSA-N 446.507 1.905 0 40 IDAB biogenic CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCn3ccnc3)C2)cc1 9059600 SXYVMXLCDAMJIC-QGZVFWFLSA-N 433.534 1.449 0 40 IDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 9355949 WZRCDLPEIZROLC-MSQSPTIYSA-N 443.408 1.163 0 40 IDAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(=O)O)CC1 9487949 WLOYPVYDCOGEME-BEFAXECRSA-N 433.480 1.643 0 40 IDAB O=C(NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1)C(=O)NC1CCCCCC1 9577619 PZJIRCOKTITDOG-HNNXBMFYSA-N 429.564 1.440 0 40 IDAB CC(C)Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3)n2C)c(=O)n(C)c1=O 9585729 YDRYOANXBBXJOB-UHFFFAOYSA-N 428.518 1.556 0 40 IDAB O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O)NC[C@H]1CCCO1 9660779 ZCAGRXWXBCDKNL-QGZVFWFLSA-N 434.924 1.522 0 40 IDAB CCOC(=O)C1=C(COC(=O)CCc2c(C)nc3cc(C)nn3c2C)NC(=O)N[C@@H]1C 9789415 IXACLKVANIRHKU-CYBMUJFWSA-N 429.477 1.649 0 40 IDAB CCOC(=O)c1ccc(COC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 10041986 GQESATMKHIDHDJ-UHFFFAOYSA-N 448.497 1.310 0 40 IDAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)c(C)c1 10912234 YCOACOPVFAVNCO-UHFFFAOYSA-N 436.468 1.689 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12820195 FRCPCYZJFOXZJW-OAHLLOKOSA-N 446.533 1.100 0 40 IDAB COCCNC(=O)[C@H](c1ccc(C)o1)N(CCOC)C(=O)Cn1nnc2ccccc21 13150781 ZBDOZRVPPVIQPN-FQEVSTJZSA-N 429.477 1.312 0 40 IDAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 13566409 XFAGUAUOWDTMNM-UHFFFAOYSA-N 436.486 1.742 0 40 IDAB C[C@@H](Oc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1)C(=O)N1CCOCC1 13566676 AQLHAKMDHJRTTP-OAHLLOKOSA-N 448.497 1.520 0 40 IDAB COc1cccc(/C=C2\SC(=O)N(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)c1 13574669 XUTAXMXYCRHFEI-HNDQUVLASA-N 438.527 1.767 0 40 IDAB COc1ccc(N(CCCC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1Cl 13678206 FRXXXCYUIJZENE-UHFFFAOYSA-N 433.958 1.343 0 40 IDAB CCCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)CC2)C1=O 17271983 DBEXNVBLBYWLRA-UHFFFAOYSA-N 434.518 1.081 0 40 IDAB COCCn1c(SCC(N)=O)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 19630235 NAAISXZSPYGQBG-CQSZACIVSA-N 439.563 1.070 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245854 WOYHNRZTJXPQAY-UHFFFAOYSA-N 448.545 1.948 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 20548951 OTEVWJFZAPLMQH-MVOHMCPASA-N 433.508 1.913 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)C2CCN(c3ccc4nnc(C)n4n3)CC2)n1 20728703 PAOBOVYQRNEQRD-UHFFFAOYSA-N 429.506 1.850 0 40 IDAB Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 21817315 DDNWHYMFIBVHSX-LJQANCHMSA-N 427.526 1.942 0 40 IDAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 22928459 BZERLDHPFPBYPW-UHFFFAOYSA-N 430.534 1.086 0 40 IDAB CCCCN(C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 24004949 AFEHOZFCNJBTKC-ZUOKHONESA-N 437.566 1.362 0 40 IDAB CC(=O)c1cc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n(C)c1 24511317 LBTGTICTVDMJOS-UHFFFAOYSA-N 434.470 1.288 0 40 IDAB Cc1csc(=O)n1CCCC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 32740695 LMDZSQCIZCLCCM-UHFFFAOYSA-N 443.522 1.797 0 40 IDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)NCc2cccnc2)cc1 36358295 PETQXCSFVKOBHJ-IBGZPJMESA-N 444.557 1.575 0 40 IDAB CCn1cc([C@H]2C(C(=O)Nc3ccc(S(N)(=O)=O)cc3)=C(C)Nc3ncnn32)cn1 36621277 NZRPLMMCVUIVHR-INIZCTEOSA-N 428.478 1.070 0 40 IDAB COc1cccc([C@@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)c2c[nH]c3ccccc23)c1OC 40007661 BKVDXTZLOKFNQD-GOSISDBHSA-N 448.479 1.983 0 40 IDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCCc3ccccc3F)CC2)o1 40154767 AZHSFOARUXWKMN-UHFFFAOYSA-N 437.493 1.538 0 40 IDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)CC2)no1 65552131 UWMSVUJSKBSGQR-CYBMUJFWSA-N 429.502 1.812 0 40 IDAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2C[C@@H]2C)CC1 67337975 ADSYEVVOFQUBFX-GQBYZMJGSA-N 437.953 1.737 0 40 IDAB Cc1nc(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cc(-n2cccn2)n1 90607686 AXYLAUNOKWLRSO-UHFFFAOYSA-N 430.476 1.217 0 40 IDAB CC(=O)Nc1ccc(N(C[C@@H](O)CN2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 95117129 XRAFGHLXLCOZHS-NRFANRHFSA-N 447.557 1.842 0 40 IDAB CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn12 96156697 HJNLHEPEINDFAD-LJQANCHMSA-N 443.515 1.380 0 40 IDAB O=c1/c(=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c2cccc3cccc1c32 100498179 ZUKWMJMTPAUMIY-ZXVVBBHZSA-N 445.483 1.015 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)c1 102472213 QGARGLXBBJAAID-HDICACEKSA-N 445.541 1.088 0 40 IDAB C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O 224550319 MORZNUCSTDLWCM-SFHVURJKSA-N 431.558 1.990 0 40 IDAB COc1ncccc1CN1CC[C@]2(C1)Cn1c(nn(CC3CCCCC3)c(=O)c1=O)CO2 306136444 PTSHAHYBUSOBDP-QHCPKHFHSA-N 441.532 1.564 0 40 IDAB COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O 408651764 DUNCGZARCMJZMD-CQSZACIVSA-N 441.440 1.379 0 40 IDAB O=C(c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)N1CCO[C@@H](CCc2ccccc2)C1 543599414 WOUWBLHMODYBHV-KRWDZBQOSA-N 439.497 1.572 0 40 IDAB O=S(=O)(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(F)c(F)c1 575605764 FDGKGHXUKGLGKP-UHFFFAOYSA-N 440.476 1.065 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@](O)(c3ccccc3)C3CCOCC3)cc21 618255699 WGTYCAKRFAGOLM-NRFANRHFSA-N 432.498 1.724 0 40 IDAB CCc1nnsc1C(=O)N1CCC2(CCCCOCCNC(=O)[C@H](C)NC2=O)CC1 643563989 RWLFBTBNCFJQMY-AWEZNQCLSA-N 437.566 1.144 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 931242 JYRBMTNHARYAGD-UHFFFAOYSA-N 426.516 1.924 0 40 IDAB COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccc(Cl)nc1 8437958 KAGXPQNWDUENTM-UHFFFAOYSA-N 432.868 1.807 0 40 IDAB Cc1c(NC(=O)CSc2nnc(-c3cnccn3)n2C)c(=O)n(-c2ccccc2)n1C 9435758 MXSUUSZVKDFXOC-UHFFFAOYSA-N 436.501 1.801 0 40 IDAB O=C(COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)NC(=O)NC1CCCC1 9545954 KQZGLOGEMRVVMM-UHFFFAOYSA-N 433.486 1.430 0 40 IDAB O=C(NC[C@@H]1COc2ccccc2O1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 9632381 JOUQKCVSLUPYEZ-CQSZACIVSA-N 436.461 1.416 0 40 IDAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 9767437 BMBWXPMGJRFQPE-UHFFFAOYSA-N 440.485 1.942 0 40 IDAB CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(OC)cc1 10385379 QKLSRVKWTVAMDZ-AWEZNQCLSA-N 431.493 1.474 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@H]1COc2ccccc2O1 12849633 HZCXVCSWUDMJHL-HXUWFJFHSA-N 447.513 1.410 0 40 IDAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCCN4CCOCC4)C3)c2N)cc1 19213165 IODSLONGBRWZQA-GOSISDBHSA-N 425.533 1.907 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCN(C(=O)Cc4cccc(C)c4)C3)[nH]c(=O)c2C1 19520430 RCUOUDVUPJPSSN-KRWDZBQOSA-N 444.557 1.345 0 40 IDAB CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 19821439 UDRIHXBXCAHQGU-DZGCQCFKSA-N 439.472 1.614 0 40 IDAB COc1cccc(N2C[C@H](C(=O)NCCNC(=O)c3ccc4c(c3)OCO4)CC2=O)c1 20738763 QNUDKWZWVGPSII-OAHLLOKOSA-N 425.441 1.323 0 40 IDAB COc1ccc(-c2noc(CN3CCN(C(=O)CN(C)C(=O)c4ccco4)CC3)n2)cc1 22876543 YQOBIQWPFBWXDC-UHFFFAOYSA-N 439.472 1.755 0 40 IDAB CCc1ccc(NC(=O)Cn2c(=O)c(N3CCCCC3)c(N)n(CCOC)c2=O)cc1 32958175 RXECUXFTFIYSQO-UHFFFAOYSA-N 429.521 1.430 0 40 IDAB COc1ccc([C@H]2CC(=O)c3cnc4nc(NCCN5CCOCC5)[nH]c(=O)c4c3C2)cc1 38829507 GHLJXPNUXQYWHH-MRXNPFEDSA-N 449.511 1.984 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C3/SC(=O)NC3=O)C2=O)cc1 65090551 ATBFCRUXHPXPKU-VAWYXSNFSA-N 435.439 1.692 0 40 IDAB O=C(Cn1cccn1)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)CC1 72398955 NBRLNUPLFKNDHQ-UHFFFAOYSA-N 438.557 1.992 0 40 IDAB O=C(CNC(=O)Cn1c(=O)[nH]c2ccsc2c1=O)NCc1ccccc1C(F)(F)F 90610298 ICADCOVXUDVYDQ-UHFFFAOYSA-N 440.403 1.203 0 40 IDAB C[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 95351758 WVSPWMWPUAORGY-SDDRHHMPSA-N 445.497 1.157 0 40 IDAB CCOC[C@@H](O)CN1CCN(C(=O)Nc2cccc(C[S@](=O)CCOC)c2)CC1 95399144 QLRDJKXQVMASPI-SLQAJWMNSA-N 427.567 1.129 0 40 IDAB CN1CCN(CCc2cccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2)CC1 95457790 ODFPAPPNCTVXFH-UHFFFAOYSA-N 430.574 1.979 0 40 IDAB COCCN1CC2(CCN(C(=O)c3cnccn3)CC2)COc2ccccc2S1(=O)=O 96145182 KMFWIOBZHOYMFQ-UHFFFAOYSA-N 446.529 1.429 0 40 IDAB CN(C)C(=O)CN1Cc2c(C(=O)NC3CCCC3)ncn2-c2ccccc2S1(=O)=O 96266273 IRSCCAASHIFKDK-UHFFFAOYSA-N 431.518 1.137 0 40 IDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCCC[C@@H]1C 102322863 IDRLYBCJLIDUMH-ZDUSSCGKSA-N 436.505 1.824 0 40 IDAB COc1ccc(OC)c(N(CC(=O)NCCOc2ccccc2OC)S(C)(=O)=O)c1 223657269 LJYFHYUURWGNHJ-UHFFFAOYSA-N 438.502 1.674 0 40 IDAB Fc1ccc(CNC(=S)Nc2nc(N3CCOCC3)cc(N3CCOCC3)n2)cc1 225947646 MSMGXNBGWFTZLC-UHFFFAOYSA-N 432.525 1.776 0 40 IDAB Cc1nc2ccccc2n1CCC(=O)N1CC[C@H](n2cnc3c(N)ncnc32)[C@@](C)(O)C1 257338172 YWHGNQFEQUFZRN-JTSKRJEESA-N 434.504 1.681 0 40 IDAB CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)CC1 408526420 BFSVWOJLWKKADF-UHFFFAOYSA-N 426.535 1.862 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 408592796 LTHJPSWXQLBBJB-GFCCVEGCSA-N 433.914 1.316 0 40 IDAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2OC)c(Cl)c1 408636703 TXDPMTGYFXKKQI-UHFFFAOYSA-N 442.921 1.969 0 40 IDAB CS(=O)(=O)NCC(=O)N1CCC[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643560196 OTFFYMJWAKFZIN-OAQYLSRUSA-N 437.562 1.066 0 40 IDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(C)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 1565519472 PFHAGUJOFJPAKO-UHFFFAOYSA-N 444.565 1.905 0 40 IDAB CS(=O)(=O)CCC(=O)N1CC[C@@]2(CCc3nc(-c4ccccc4)cc(=O)n3CC2)C1 1565553472 ANBBTUCIBGQHHI-JOCHJYFZSA-N 429.542 1.900 0 40 IDAB O=C1NCCNC(=O)[C@@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1ccon1)C2 1615525325 DMWZRJZDFVVKFS-QHCPKHFHSA-N 438.484 1.782 0 40 IDAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)Cn4cnc(C)c(C)c4=O)CC3)n2)n1 1775969270 HUCLFQRQNLEQAT-UHFFFAOYSA-N 437.504 1.083 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)CCc5ccccc5)C[C@H]4C3)nn12 1888930686 NKQHHNSNHBORPH-HDICACEKSA-N 426.546 1.627 0 40 IDAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(CCc3ccccc3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242264 XAZUVEWWPMVMBR-ACRUOGEOSA-N 441.576 1.117 0 40 IDAB COc1cc(C(=O)O[C@H](C)C(=O)NC(N)=O)ccc1OCC(=O)Nc1ccc(F)cc1 3365045 HQKOFBFLCUXFMW-LLVKDONJSA-N 433.392 1.592 0 40 IDAB COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCCCC1 6239078 OGUDQVBLZCNEAI-LJQANCHMSA-N 428.493 1.754 0 40 IDAB CC(=O)CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C 8704586 XMTOVVBQYVRXOU-CYBMUJFWSA-N 428.880 1.944 0 40 IDAB COc1ccccc1N1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1=O 9315386 IFMVEMSLKMEKIC-OAHLLOKOSA-N 449.554 1.643 0 40 IDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](C(=O)O)c1ccccc1 9451387 KVVNTIJSPOKMGZ-ZBQZNYHESA-N 427.432 1.625 0 40 IDAB CCN(C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)[C@@H]1CCS(=O)(=O)C1 9665592 RVAVOCWUGQBIKN-JLTOFOAXSA-N 433.486 1.235 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O 9713008 WOGLMDWCNKWWIW-UHFFFAOYSA-N 444.495 1.957 0 40 IDAB COc1ccc(OC)c(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)c1 10216296 YVSPIMLKMZKCTM-UHFFFAOYSA-N 430.486 1.689 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CCCn2nc(-c3ccco3)ccc2=O)cc1 11695862 PSWQDUUGCFYXRW-UHFFFAOYSA-N 430.486 1.290 0 40 IDAB Cc1ccc(-c2nc(C(N)=O)c3c(n2)n(C(C)C)c(=O)n3CC(=O)N2CCCC2)s1 12236929 UIFOTTWEJPNNKK-UHFFFAOYSA-N 428.518 1.932 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNc3ccc(C(=O)N(C)C)cc3)CC2)cc1 12543481 WURVJZHVNGXENQ-UHFFFAOYSA-N 444.557 1.642 0 40 IDAB CSC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O 12660217 NPQAQXMWDAMBJC-BMFZPTHFSA-N 437.518 1.225 0 40 IDAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1CCCCC1 12984747 WWIZZGBQDPFNPZ-UHFFFAOYSA-N 427.954 1.869 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc(C)c3)CC2)cc1 13022583 SOCWRYSYMIZWBL-UHFFFAOYSA-N 431.514 1.267 0 40 IDAB CCN(c1ccc(OCC(=O)NCCN2CCOCC2)cc1)S(=O)(=O)c1ccccc1 13585065 NBXUMXMFAIQZGC-UHFFFAOYSA-N 447.557 1.729 0 40 IDAB O=C([C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 16047043 HVGCHQBBFFJQDD-WMLDXEAASA-N 439.434 1.908 0 40 IDAB CCCn1c(N)c(C(=O)CSc2nccn2-c2ccc(OC)cc2)c(=O)n(C)c1=O 16675296 FUIPDHXVPXCWCD-UHFFFAOYSA-N 429.502 1.709 0 40 IDAB O=C(c1cnccn1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C1 19347672 UEQXEZANSQGAGN-AWEZNQCLSA-N 448.458 1.527 0 40 IDAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)CN4CSCC4=O)C3)c2N)cc1 19558648 FUWYFULBOJPJCX-CQSZACIVSA-N 443.529 1.417 0 40 IDAB CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)c4cnn(C)c4)C3)nc3ccccc23)CC1 19756944 BIIQPVBPQSKLOL-QGZVFWFLSA-N 432.528 1.986 0 40 IDAB COCCNC(=O)c1cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)nc2ccccc12 19762672 KJOWODBIPQKVQE-HNNXBMFYSA-N 435.484 1.334 0 40 IDAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 19796700 NGKKJRWNENDLBK-UHFFFAOYSA-N 449.554 1.260 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccc(F)cc1 20801334 UFCFSQHKQPUTPT-OALUTQOASA-N 425.464 1.749 0 40 IDAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c32)cc1C 22610480 YGSXEEQAVDUZRA-HNNXBMFYSA-N 438.488 1.153 0 40 IDAB CC(=O)N1CCc2cc(NS(=O)(=O)c3ccc4c(c3)N(CC(=O)O)C(=O)CO4)ccc21 22990177 NINFWBHWTDKJLC-UHFFFAOYSA-N 445.453 1.206 0 40 IDAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23149177 WVDGXOVBODVEDZ-MRXNPFEDSA-N 432.502 1.027 0 40 IDAB COc1ccc(-c2noc(CN3CCN(CN4C(=O)N[C@@H](CC(C)C)C4=O)CC3)n2)cc1 23270466 SXBCDSOULDUCHQ-SFHVURJKSA-N 442.520 1.787 0 40 IDAB C[C@@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 24973329 SUMKUPUXVCIVSP-NSHDSACASA-N 435.333 1.240 0 40 IDAB O=C(CCSc1nnc(N2CCCC2)n1C1CC1)N1CCN(c2ncccn2)CC1 26119756 QTXLZRMBVRXJLS-UHFFFAOYSA-N 428.566 1.834 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 35363843 DUCJOSYWMDPMOJ-SOGHBPRDSA-N 449.507 1.613 0 40 IDAB biogenic O=C(c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 36366263 ZBCZQMUWTHECBA-UHFFFAOYSA-N 444.469 1.531 0 40 IDAB CN1CCN(S(=O)(=O)N2CCN(C(=O)CCc3cccc(Cl)c3Cl)CC2)CC1 40094054 QAEPRTZPTQLUAM-UHFFFAOYSA-N 449.404 1.562 0 40 IDAB C[C@H]1CC(C)(C)N1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 58015416 SSJDZPBYDDGCDU-HNNXBMFYSA-N 434.562 1.926 0 40 IDAB CCn1c(=O)c2ccccc2n(CC(=O)N(CCN(C)C)Cc2cccc(F)c2)c1=O 65939971 PCLYMEMCDZDKLH-UHFFFAOYSA-N 426.492 1.913 0 40 IDAB Cc1nc2cc(C(=O)NC[C@H](C(C)C)N3CCOCC3)ccc2n1[C@@H]1CCS(=O)(=O)C1 78902862 WLQBYYVOYMPEQB-WIYYLYMNSA-N 448.589 1.791 0 40 IDAB CCOC(=O)c1c(NC(=O)CN[C@@](C)(CC)CC(=O)OC)sc(C(=O)NC)c1C 79075173 WCGMWYWQCGTKAS-IBGZPJMESA-N 427.523 1.853 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)NCC(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1 84697487 JTIFLUCFVMZVDN-OAHLLOKOSA-N 427.567 1.609 0 40 IDAB Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCC(=O)N(C)C 89702545 KOUNZTKREBSMMS-SFHVURJKSA-N 426.521 1.172 0 40 IDAB CC1=C(C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)O)N(c2ccccc2Cl)CO1 95829408 OSIDWIDMHJFBPU-MRRJBJDNSA-N 437.905 1.997 0 40 IDAB COCCN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)COc2ccccc2S1(=O)=O 96145183 MBOFTIBTWPDFPT-UHFFFAOYSA-N 434.518 1.362 0 40 IDAB O=C(O)[C@H](CCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100537562 QVQQYVHBVKGSMN-DZKRMPBCSA-N 438.480 1.224 0 40 IDAB NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 222649576 KVOOTXXCULFFMK-UHFFFAOYSA-N 431.514 1.953 0 40 IDAB CC(=O)N1CCN(C(=O)Cc2csc(Nc3ccccc3F)n2)[C@H](C(=O)N(C)C)C1 257235161 GWSFSXNVLZIIPA-KRWDZBQOSA-N 433.509 1.716 0 40 IDAB CN1CCC(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)CC1 257258717 KVFCLPJMOZBPRY-GMAHTHKFSA-N 442.604 1.788 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408667272 SHVJRRCETZKPBV-ISZNXKAUSA-N 430.457 1.607 0 40 IDAB Cc1nn(C)cc1CCC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585287447 XAZVSEUKZJSCCS-OAQYLSRUSA-N 434.924 1.867 0 40 IDAB CN(Cc1cccc2ncccc12)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O 585290805 FXEWWJORYCAPOF-YADHBBJMSA-N 427.526 1.463 0 40 IDAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)N[C@@H]1CCS(=O)(=O)C1 604418882 MFUGPRONNQXILA-BFUOFWGJSA-N 425.466 1.105 0 40 IDAB COCCn1cnc2cc(C(=O)NC[C@]3(O)CCCN(c4ccc(F)cn4)C3)ccc21 2037880131 FONVRVMOCOFJAP-JOCHJYFZSA-N 427.480 1.978 0 40 IDAB COC(=O)c1ccc(-n2nnnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1 932117 LCVKGCOBMPQHFU-UHFFFAOYSA-N 427.442 1.586 0 40 IDAB COC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C 9059927 NMKLPDIWJVCTLH-UHFFFAOYSA-N 448.842 1.106 0 40 IDAB Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc4c(c3)OCO4)n2C)s1 9328532 ZDETXXMVLZZLGG-UHFFFAOYSA-N 447.502 1.365 0 40 IDAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 9984373 MSXNUPQFHMLZCY-UHFFFAOYSA-N 426.458 1.600 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 13688632 CXNFOAQVFKTGPG-UHFFFAOYSA-N 425.532 1.650 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 16321110 XQJAPABJEAZQFV-UGSOOPFHSA-N 428.532 1.649 0 40 IDAB O=C1CN(CC(=O)N2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4F)cc3)C2)C(=O)N1 19368389 MQIOCQYRGLAACD-QGZVFWFLSA-N 438.459 1.162 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@H]3CC=CCC3)[nH]c2=O)C1 19520443 KUHZXYKGJBNJKU-YJBOKZPZSA-N 434.562 1.888 0 40 IDAB CN(Cc1ccc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)o1)S(C)(=O)=O 19586437 MGIXUMYWOWBUNN-UHFFFAOYSA-N 443.529 1.417 0 40 IDAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)CCO1 19703114 HGIFBGNWDRVWGY-HNNXBMFYSA-N 441.513 1.430 0 40 IDAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1 19750841 ZGQZJXWFLRWRNX-CQSZACIVSA-N 425.464 1.837 0 40 IDAB Cn1cc(C(=O)N2CCOCC2)c(CC2CCN(C(=O)COc3ccccc3F)CC2)n1 19756400 IFPWSHSEVKQVKL-UHFFFAOYSA-N 444.507 1.892 0 40 IDAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1F)C(=O)OC 20724166 DZFMOJLTSIXPFE-KSSFIOAISA-N 436.415 1.840 0 40 IDAB COCCCNC(=O)CN1CCN(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)CC1 22915255 UVCRPZJXXAFVCZ-SDOQWUHBSA-N 434.625 1.478 0 40 IDAB CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)NC(N)=O)c2)C1 23078606 ADLZPJGOTABRIL-XOBRGWDASA-N 437.518 1.628 0 40 IDAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1CCN(c2ccc3nnnn3n2)CC1 27367235 AZNMOUGBYRPURR-UHFFFAOYSA-N 430.852 1.904 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(C(=O)c4ccccc4F)CC3)ccc21 27914703 VSLGQOSFUCJIMG-UHFFFAOYSA-N 432.477 1.163 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)NCC1CCN(C(=O)c2snnc2C)CC1 43958300 BGDNIFPVMWJJDO-UHFFFAOYSA-N 444.560 1.525 0 40 IDAB COc1ccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1OC 44851805 HKCQOEVSJSKJBT-HXUWFJFHSA-N 434.514 1.980 0 40 IDAB CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(C(N)=O)cc1 58010417 NDGNBVRJCZJYFD-UHFFFAOYSA-N 426.498 1.609 0 40 IDAB COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)c1ccc(Cl)cc1 72274983 MZYVIIAOUKQXMF-UHFFFAOYSA-N 432.845 1.890 0 40 IDAB CCS(=O)(=O)N1CCC2(CC1)O[C@H](C(=O)NCc1cccc(OC)c1)Cn1ccnc12 96144712 PWLASICCEJMLJX-SFHVURJKSA-N 448.545 1.248 0 40 IDAB COc1ccc(NC(=O)c2ccc3nnc([C@@H]4CN(C(=O)N(C)C)CCN4C)n3c2)cc1 96156767 IYDYHSCSBPBQNM-SFHVURJKSA-N 437.504 1.960 0 40 IDAB Cc1ccccc1O[C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224474382 JUGJAYHVWWAZLX-GOSISDBHSA-N 448.541 1.978 0 40 IDAB CC[C@H](C)N(CC(=O)CN([C@H]1CCS(=O)(=O)C1)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 575420644 DDZNBEBCVUINIO-FZDBZEDMSA-N 436.640 1.131 0 40 IDAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(CCO)Cc1ccccc1 3217644 XIASMMKYOYCCEE-DHZHZOJOSA-N 430.526 1.742 0 40 IDAB NC(=O)CN1C(=O)/C(=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc21 3637473 CWDSWMRRBBIDQJ-NXVVXOECSA-N 437.868 1.221 0 40 IDAB Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3CCN2CCCCC2)n(C)c1=O 8710205 GSUUUXMISIBSQE-UHFFFAOYSA-N 439.495 1.283 0 40 IDAB COc1ccccc1C(c1c(O)nc(SC)[nH]c1=O)c1c(O)nc(SC)[nH]c1=O 8716675 MAPMJAMOBHRLQI-UHFFFAOYSA-N 434.499 1.897 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C4CC4)CC3)CC2)cc1C 8940965 CKUZJEDIAINSQP-UHFFFAOYSA-N 433.574 1.785 0 40 IDAB CC(C)[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9184394 RVBXWYYNNZLCTM-VQIMIIECSA-N 437.562 1.347 0 40 IDAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9337026 XBJGVZYBCXUIMR-OAQYLSRUSA-N 435.480 1.938 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 11025607 VNJLFCMUVDGFIN-OAHLLOKOSA-N 436.921 1.635 0 40 IDAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCN(C(=O)c2ccco2)CC1 12440174 SPYHSLBOOSWIFU-UHFFFAOYSA-N 446.467 1.550 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)o2)nn1C 12443158 BCXFYVJQKHODDG-OAHLLOKOSA-N 434.453 1.709 0 40 IDAB COC(=O)[C@@H](CSC[C@H](NC(=O)c1ccccc1)C(=O)OC)NC(=O)c1ccccc1 12862745 OEFFFEWEQXAIFM-HDICACEKSA-N 444.509 1.663 0 40 IDAB biogenic CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NCc1ccco1 13556234 WFGRHTKXOMZAAD-BTYIYWSLSA-N 441.484 1.861 0 40 IDAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@H]3C=CS(=O)(=O)C3)CC2)cc1 13689756 ZUCVYEBWIGKQGX-UYSNPLJNSA-N 442.559 1.207 0 40 IDAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 16823344 IZYFOVAMXARCNT-AVGNSLFASA-N 430.910 1.036 0 40 IDAB O=c1[nH]c(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nc2ccsc12 19111539 GMMVFKFYMVVNQB-UHFFFAOYSA-N 448.555 1.496 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CCc3ccccc3)[nH]c2=O)C1 19572886 WEZQGGXHKPFZRL-LJQANCHMSA-N 444.557 1.774 0 40 IDAB Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nnc1SCC(=O)N1CCOCC1 28211329 UNTJFEUXSPVOLS-UHFFFAOYSA-N 427.889 1.740 0 40 IDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)c1 31711465 ABLUIHPTEJTEMN-UHFFFAOYSA-N 435.897 1.311 0 40 IDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCc1ccc(S(=O)(=O)N(C)C)o1 32934822 PTFOKLNOKQINQJ-UHFFFAOYSA-N 442.515 1.636 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCC(=O)O)C2=O)o1 33735500 YXTBLJGXSCVDMB-GHXNOFRVSA-N 445.340 1.531 0 40 IDAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=S)NCCCN2CCOCC2)CC1 35314126 KSVLWLZIWDVUJJ-UHFFFAOYSA-N 433.574 1.949 0 40 IDAB O=c1c(-c2ccc(Cl)cc2)coc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc12 35878027 PIIJBWCFNYXGGN-YNWKUBOOSA-N 434.828 1.292 0 40 IDAB C[C@H](OC(=O)[C@@H](C)NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 39995762 HLJMAHLIGVJHMB-MOPGFXCFSA-N 439.512 1.851 0 40 IDAB O=C1CCC(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)=NN1Cc1ccccc1 40129726 CUBBTKMSQFGVNU-QGZVFWFLSA-N 429.498 1.974 0 40 IDAB CCOC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1 40149822 YARKVDSOBWHZTC-QGZVFWFLSA-N 438.550 1.703 0 40 IDAB Cc1nonc1CN1CCN([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 58158306 VJCBMBGMTCAQPT-GFCCVEGCSA-N 440.426 1.056 0 40 IDAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)cc2)c1C 102324515 DQYDSTRAERNLKZ-JONQDZQNSA-N 435.458 1.909 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102704760 NJZJPHWZCWDYHS-CALCHBBNSA-N 445.447 1.107 0 40 IDAB COc1ccc(C(=O)NCCSc2ncn[nH]2)cc1S(=O)(=O)N1CCCCCC1 222926561 TTWHYRMFIVPLKN-UHFFFAOYSA-N 439.563 1.900 0 40 IDAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223040822 YSXLAZKODFURDD-HXUWFJFHSA-N 431.558 1.654 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 247835757 MHVHYRDHICVICQ-IDVKNYFZSA-N 441.415 1.013 0 40 IDAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@H]2O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O 253618212 HLORHOWZWQKXIN-GRHATEEXSA-N 434.529 1.433 0 40 IDAB CNC(=O)[C@@H]1CN(C(C)=O)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 257261006 LFJSJPOKGXMSOJ-INIZCTEOSA-N 441.454 1.122 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@@H]2c2cccc(CNC(=O)CO)c2)cc1 257282081 OSGHYQRHDKZVJY-YADHBBJMSA-N 425.529 1.308 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(N3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1C 4371137 HQTIYWRYJWRJOT-INIZCTEOSA-N 427.505 1.091 0 40 IDAB CC(=O)N(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)c1ccc(Oc2ccc(Cl)cc2)cc1 5760854 AWECIOWHICWSBI-UTBUEMAESA-N 439.848 1.217 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)n(C)c1=O 9224080 DHDKPWWNUICHPV-ZDUSSCGKSA-N 438.469 1.466 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)n(C)c1=O 9245508 VZTMJPCZGHPJRP-QGZVFWFLSA-N 431.452 1.601 0 40 IDAB COc1cc(OC)c(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c(OC)c1 9409654 WHCSTZJTWWFSPQ-UNOMPAQXSA-N 437.477 1.676 0 40 IDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1 9670253 AUCZUVLQUHHJHQ-UHFFFAOYSA-N 435.849 1.515 0 40 IDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)n1 12142948 RWRAMBXIVBEPCQ-UHFFFAOYSA-N 434.500 1.878 0 40 IDAB CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)Nc2cccc(F)c2)[C@@H](O)[C@H]1O 12603597 UDHVVUHZNYYJEF-IZZBFERCSA-N 431.464 1.485 0 40 IDAB biogenic,in-vitro O=C(NCc1ccccc1)C1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 12737230 AIHVJNSCHMGZMC-UHFFFAOYSA-N 448.531 1.291 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 13637626 HQFLWOMELSYTAH-UHFFFAOYSA-N 444.469 1.277 0 40 IDAB Cc1ccc(-n2nnnc2SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(C)c1 14129646 WGMRCRDVMRFYEP-UHFFFAOYSA-N 443.577 1.138 0 40 IDAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 14201704 CJHXPRPUQNGJMD-UHFFFAOYSA-N 440.566 1.601 0 40 IDAB Cc1cc(Cl)c2c(c1)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 16020142 KCSUZGNYMXHPDB-DYXJYMTDSA-N 444.919 1.577 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 18708840 LXNYAPRHCRWOLZ-LJQANCHMSA-N 446.504 1.640 0 40 IDAB CS(=O)(=O)N1CC[C@H](C(=O)NCCCN2CCOCC2)Oc2ccc(Cl)cc21 30944601 GJEMPNDETSZSKY-QGZVFWFLSA-N 431.942 1.096 0 40 IDAB O=C(c1sc2ccccc2c1Cl)N1CCN(S(=O)(=O)N2CCOCC2)CC1 40060523 FAOKKMIAILEQMN-UHFFFAOYSA-N 429.951 1.890 0 40 IDAB Cc1nc2cc(C(=O)N3CCC[C@@H](c4c(S(C)(=O)=O)cnc5ncnn45)C3)ccc2[nH]1 57730073 SHLRLESXKCAOCT-CQSZACIVSA-N 439.501 1.732 0 40 IDAB O=C1C[C@@H]2CCN3C[C@H]2[C@@H](O1)[C@@H](O)COc1ccc(Br)cc1CNCC3=O 72320672 FATGSPLXZUHMEA-WLSFQCJRSA-N 439.306 1.072 0 40 IDAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3nc4c(cc3=O)CO[C@@H]4C)cc2)CC1 72342376 JAWFHQSBJQZSPQ-OAHLLOKOSA-N 446.529 1.894 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)c(C)c1 89614319 PHKHJZYCSIXWMT-UHFFFAOYSA-N 443.573 1.843 0 40 IDAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 95461860 SQDBXBYEVDRQAZ-QGZVFWFLSA-N 425.507 1.315 0 40 IDAB COC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)n(C3CC3)c2=O)cc1 96096686 RHRHMWJWXNDFAK-UHFFFAOYSA-N 448.526 1.873 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)C3[C@@H]4[C@@H]3[C@@H]3CC[C@@H]4C3)nc2C1 100238127 INKFFTWCIDANCQ-POOHYDRCSA-N 446.573 1.846 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(F)cc4F)[C@H]3C2=O)cc1OC 101169928 HOVNRZDOSVQSFF-ZWKOTPCHSA-N 445.382 1.914 0 40 IDAB Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N[C@@H]4CC(=O)N(C(C)C)C4=O)cc3)nc12 101665960 VPQPPPXVRCITPD-QGZVFWFLSA-N 433.468 1.900 0 40 IDAB COc1cc(/C=c2\s/c(=C\C(=O)c3cc(OC)cc(OC)c3)[nH]c2=O)cc(OC)c1 103336954 DEWNGKDKHAGTCF-KLQRDRRPSA-N 427.478 1.963 0 40 IDAB CC1(C)OC(=O)C(=C2[C@H]3[C@H]4C[C@H]5[C@H]3[C@H](C3C(=O)OC(C)(C)OC3=O)[C@H]3[C@H]2[C@@H]4[C@H]35)C(=O)O1 104206672 PHADMZAJWXLMAT-OLFWFFIMSA-N 428.437 1.575 0 40 IDAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224073170 BZUYIIWQOGEQCD-MRXNPFEDSA-N 443.525 1.427 0 40 IDAB O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 224301541 MRFFWRLGFNIDHM-UHFFFAOYSA-N 428.507 1.968 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)s1 225671855 LYBRYMUPYCXYBO-UHFFFAOYSA-N 444.560 1.825 0 40 IDAB Nc1ncnc2c1ncn2[C@@H]1CN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)C[C@H]1O 257234610 GUINSVIJEXJLKE-VXGBXAGGSA-N 432.366 1.362 0 40 IDAB Cc1cc2nc(C)n(CC(=O)N[C@H]3CCC[C@H](n4cnc5c(N)ncnc54)[C@H]3O)c2cc1C 257238010 HJEUVTKHTCDEHE-WJPUGNRLSA-N 448.531 1.954 0 40 IDAB CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccc(C(F)(F)F)c3)[C@H]2O)CC1 514288697 KTRNBIAFRGJTTE-OKZBNKHCSA-N 444.454 1.509 0 40 IDAB biogenic,in-vitro O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCN(c3ccccn3)CC2)C1 585291095 KAWPIHXGXJYQAW-KNQAVFIVSA-N 430.936 1.034 0 40 IDAB O=C1NCCOCCCCC2(CCN(C(=O)Cn3cnnn3)CC2)COc2ccccc21 643571365 IWSKKSFZYAAQHH-UHFFFAOYSA-N 442.520 1.291 0 40 IDAB C[C@]1(c2ccc(CNCc3ccc(OCCN4CCOCC4)cc3)cc2)NC(=O)NC1=O 1656290691 OBSOLQLRLCUNKM-XMMPIXPASA-N 438.528 1.742 0 40 IDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888913352 YKVNQNMWGBLOSN-NSHDSACASA-N 445.427 1.573 0 40 IDAB CCOc1ccccc1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nnc(CC)n4n3)C[C@@H]2C1 1888944386 YBOGPIITIGHEFG-IYBDPMFKSA-N 442.545 1.842 0 40 IDAB O=C(CN(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1F)NC[C@H]1CCCO1 887648 CMDWUZBBRWJBBZ-CQSZACIVSA-N 444.492 1.869 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1ccccc1F 1268974 ZWMMFQUZEVHJHR-UHFFFAOYSA-N 448.502 1.933 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2632304 QBVOSCWVBZKLIY-UHFFFAOYSA-N 435.889 1.781 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1 2725310 IRRBBFUDDSRXDM-UHFFFAOYSA-N 431.392 1.863 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 3450984 KPDYAHXCGHWFMA-UHFFFAOYSA-N 429.454 1.831 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)Nc1ccc2c(c1)OCO2 9001077 CUGHEBIUVYCIFT-UHFFFAOYSA-N 431.408 1.369 0 40 IDAB Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1S(=O)(=O)N1CCCCC1 9284942 AOQLWCQGKVQOMM-UHFFFAOYSA-N 448.545 1.973 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O 9292816 LTPJTHXITUXLBB-GFCCVEGCSA-N 431.880 1.901 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 9426261 BUQHFGFRUJETAR-VLMPBXDWSA-N 443.408 1.129 0 40 IDAB Cc1cc(=O)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cl)cc1 9515420 ZMQRLIKEJHVHGO-UHFFFAOYSA-N 446.916 1.814 0 40 IDAB CC(C)NC(=O)Cn1nc2n(CC(=O)N[C@@H]3CCCC[C@@H]3C)c3ccccc3n2c1=O 12117652 MQURFEIIALWQOC-JKSUJKDBSA-N 426.521 1.670 0 40 IDAB Cc1onc(C(C)C)c1C(=O)N1C[C@H](C(=O)N(C)C)[C@]2(COc3ccccc3C(=O)N2)C1 12123838 RMVURALQUMAMCS-WAIKUNEKSA-N 440.500 1.828 0 40 IDAB CCOC(=O)N1CCN(C(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)CC1 12237769 UQDSIEFGSYNUOR-UHFFFAOYSA-N 438.488 1.500 0 40 IDAB O=C(Cc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1 12422830 XKUKJQRMBGEQEU-UHFFFAOYSA-N 433.549 1.675 0 40 IDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 12852059 BZTUCXZFQOXAIG-UHFFFAOYSA-N 447.513 1.809 0 40 IDAB CSC[C@H](NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)O 12865055 DKNPNYAQUVTUBR-GJZGRUSLSA-N 445.582 1.707 0 40 IDAB biogenic C[C@@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 12904332 VRTBZIJWNJPWDW-OAHLLOKOSA-N 431.489 1.465 0 40 IDAB Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 12981428 HTOLWNIPCOQZIY-UHFFFAOYSA-N 448.545 1.028 0 40 IDAB CNc1nnc(SCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)s1 12982465 DRMYVCSZUZDETL-CQSZACIVSA-N 435.531 1.183 0 40 IDAB CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1 13565570 QMJCMZXQJLPBGC-OAQYLSRUSA-N 433.516 1.495 0 40 IDAB Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccccc2Cl)n1 16839436 FJKBYGDCPALTSQ-ZDUSSCGKSA-N 444.879 1.319 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccccc1OC 18156320 SJESSGVYNYILGY-UXHICEINSA-N 437.500 1.619 0 40 IDAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCNC(=O)C2)nc2c1CCC(=O)N2CC(C)C 19741081 KZPTYAOOHFBMFT-SFHVURJKSA-N 442.564 1.206 0 40 IDAB CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CNCCN1CCOCC1)CCC3 20592311 DXBBMFCQZPKJKA-UHFFFAOYSA-N 432.546 1.822 0 40 IDAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 20744300 SOXNXYAFHATPTJ-UHFFFAOYSA-N 447.469 1.219 0 40 IDAB CN1CCN(c2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cn2)CC1 22416438 DVQGJCZXTCSAFW-LJQANCHMSA-N 447.536 1.764 0 40 IDAB CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 22851479 OOSZCQNRABZPPB-SFHVURJKSA-N 428.464 1.280 0 40 IDAB CC(=O)N1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)Oc2ccccc21 25012802 YRYPGMRJTSJIKL-IBGZPJMESA-N 442.497 1.910 0 40 IDAB C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 25107144 PMKOPJSDETUHJS-CYBMUJFWSA-N 446.349 1.954 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccc(NC=O)c1 32943313 RBTXJDOSPPBXHP-UHFFFAOYSA-N 449.485 1.302 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 35598256 LCVGAQXXPZOEKG-UHFFFAOYSA-N 427.530 1.771 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)CC1 38946937 GRFRPIBESVQMRF-RBUKOAKNSA-N 437.537 1.272 0 40 IDAB COC(=O)c1cc(Cl)c(NC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1OC 48324115 ZJLYNXWNFAVPQC-DYVFJYSZSA-N 441.912 1.994 0 40 IDAB C[C@H](C(=O)NCCCN1CCOCC1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327619 OVXSFRDJNVSIEU-HOYKHHGWSA-N 443.544 1.630 0 40 IDAB O=C([C@H](c1ccccc1F)N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 89847741 QECFCUSBLOUNAM-NRFANRHFSA-N 447.532 1.732 0 40 IDAB CSc1ccc([C@H](CC(=O)O)NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 95989637 CMPQPXWNSIIETJ-INIZCTEOSA-N 441.517 1.790 0 40 IDAB CNC(=O)CN1CC2(CCN(Cc3ccoc3)CC2)COc2ccccc2S1(=O)=O 96062654 QEBKNSBHYCXCED-UHFFFAOYSA-N 433.530 1.691 0 40 IDAB COC(=O)CN1Cc2c(C(=O)Nc3cccnc3C)ncn2-c2ccccc2S1(=O)=O 96147467 BYGLWYTWEAQMHD-UHFFFAOYSA-N 441.469 1.505 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)c(C)c1 225606762 ZUSBRBYSERRIOM-UHFFFAOYSA-N 444.506 1.964 0 40 IDAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)COc3cccc4c3OC(C)(C)C4)[C@H]2O)CC1 257273078 NFDUTMMOWBCNMF-WOIUINJBSA-N 445.560 1.293 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)CC1 575614051 VSKPMXPVKDOMEK-CQSZACIVSA-N 447.355 1.281 0 40 IDAB O=C(CN1CCCS1(=O)=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 579271389 TXMTXVBGRSMRBV-AWEZNQCLSA-N 444.307 1.078 0 40 IDAB Cc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)Cc5ccccc5Cl)C[C@@H]4C3)nn12 1888916423 PORZJFOKVMAHKU-HOTGVXAUSA-N 432.937 1.984 0 40 IDAB CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(N)=O 6190664 MMYOLAYKEMCIIR-OIISXLGYSA-N 434.537 1.253 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(NC3=CC(=O)N(c4ccccc4)C3=O)CC2)cc1 8771772 MVEVYABPRIJBKL-UHFFFAOYSA-N 441.509 1.895 0 40 IDAB NS(=O)(=O)c1ccc(-n2ncc(N3CCN(c4ccccc4)CC3)c(Cl)c2=O)cc1 9353509 NIGKBJWOWICOJS-UHFFFAOYSA-N 445.932 1.860 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 9544370 DZEQMLUPEZPQIP-UHFFFAOYSA-N 434.470 1.894 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cc3cccs3)CC2)c(C)c1 9981959 WVQNPCZBJRJLTA-UHFFFAOYSA-N 436.555 1.984 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 12772100 OUHHAZOZDFMZNK-KBPBESRZSA-N 430.457 1.405 0 40 IDAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 12925636 SLSCTMFWZQDNJE-ZDUSSCGKSA-N 427.544 1.854 0 40 IDAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(OC)cc(OC)c2)c1=O 13533220 FVMYRQVZTLLJAT-UHFFFAOYSA-N 433.486 1.917 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)CC1 13729668 UIRHYBNOOXCYDX-ZDUSSCGKSA-N 432.477 1.604 0 40 IDAB Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 14274936 PBFDZKCTWOGPEG-GOSISDBHSA-N 446.529 1.754 0 40 IDAB O=C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]2CCCC[C@H]12 15275981 FYCUCUDXCHKGHM-ZWKOTPCHSA-N 442.559 1.230 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NCc3ccccc3)nc(-c3ccco3)nc2n(C)c1=O 17148880 VLGQGUDEDZDWKP-UHFFFAOYSA-N 437.481 1.696 0 40 IDAB O=C(NCCn1ncc2c(N3CCN(Cc4ccccc4)CC3)ncnc21)c1cnccn1 17179117 LPICZHKTNYCFJL-UHFFFAOYSA-N 443.515 1.369 0 40 IDAB Cc1ccccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(S(C)(=O)=O)CC2 19236782 OSBPNBBLZZBXGU-GOSISDBHSA-N 430.530 1.763 0 40 IDAB CC(C)OCCN1CCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19450442 CVWXBUVXQBKIRJ-FQEVSTJZSA-N 445.608 1.328 0 40 IDAB COc1ccccc1CN1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)C1 19570357 DFAXTUURYQNJMD-INIZCTEOSA-N 432.546 1.476 0 40 IDAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1C 22239971 BIHYGZLMUCSCOQ-UHFFFAOYSA-N 438.532 1.388 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)N[C@@H](c1ccccc1)c1cccs1 22791149 FZYICLYLTMOSAS-QHCPKHFHSA-N 442.585 1.430 0 40 IDAB COc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1NC(C)=O 23409067 BHRPFGQGRZYAOV-UHFFFAOYSA-N 447.513 1.889 0 40 IDAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 23990025 IAIQALSJGQGBNZ-GOSISDBHSA-N 433.530 1.815 0 40 IDAB O=C(c1ccccc1I)N1CCN(S(=O)(=O)N2CCCC2)CC1 31387940 XBMGNVNRWPPDTQ-UHFFFAOYSA-N 449.314 1.390 0 40 IDAB CCOc1cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc(OCC)c1OCC 32942969 GRJNLWRVUMVWJH-AWEZNQCLSA-N 429.491 1.343 0 40 IDAB CCNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4)c(=O)c3s2)C1 33141180 QTWSZEKOQZYXAX-AWEZNQCLSA-N 440.529 1.844 0 40 IDAB CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2N2CCC3(CC2)OCCO3)cc1 36585718 RDPMIBMNKRHKNC-ZWKOTPCHSA-N 429.560 1.027 0 40 IDAB COC(=O)c1ccccc1NC(=O)Cn1cnc2c(nnn2Cc2cccc(OC)c2)c1=O 40478125 IOXIXSZOYCPXMS-UHFFFAOYSA-N 448.439 1.470 0 40 IDAB COC(=O)c1cnc(NC[C@@H]2Cc3ccccc3O2)c(S(=O)(=O)N2CCOCC2)c1 48234455 STILPCZVCNQVIW-INIZCTEOSA-N 433.486 1.305 0 40 IDAB COc1cccc(C[C@H](C(=O)N2CCC(C(=O)N(C)C(C)C)CC2)n2nnnc2C)c1 48326385 QWMVEYJVTPSHDD-HXUWFJFHSA-N 428.537 1.879 0 40 IDAB C[C@H]1CN(c2ccc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)cc2F)C[C@@H](C)O1 48365456 DRYNGBVMQJKVJO-BETUJISGSA-N 441.463 1.637 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN3C(=O)CN3CCCC3)nc2n(C)c1=O 72374582 UICQQDQGPSRLOR-CQSZACIVSA-N 439.438 1.410 0 40 IDAB COc1ccc2c(C)c(CCC(=O)N[C@H]3CCC(=O)N[C@@H]3c3cnn(C)c3)c(=O)oc2c1 79021510 GANQIUFPLVFTAB-PGRDOPGGSA-N 438.484 1.912 0 40 IDAB Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1)CC2 84286939 ZPFPBGQXNMGQOF-WMLDXEAASA-N 439.482 1.674 0 40 IDAB COc1cccc(NC(=O)N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)c1 96050450 XWUQOONQJLSUAQ-OAQYLSRUSA-N 426.477 1.300 0 40 IDAB O=C(NCCN1CCOCC1)c1ccc2nnc([C@@H]3CCN(Cc4cccnc4)C3)n2c1 96267557 DNELMUOHLYGCQS-LJQANCHMSA-N 435.532 1.176 0 40 IDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCC(n2nnc(-c3ccccc3)n2)CC1 100164482 YUQSIJDQJQIMGV-FVCZOJIISA-N 434.500 1.535 0 40 IDAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 100839316 CZWYSKQUGLIDLE-DJSLXLMUSA-N 441.553 1.412 0 40 IDAB COc1ccc(N2C(=O)C[C@H](N(O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1 101026742 CXHAMAQTOXEWAJ-HDICACEKSA-N 439.424 1.359 0 40 IDAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1C 223824912 BNJGLOWAPDIFBH-UHFFFAOYSA-N 431.514 1.970 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@](O)(c1ccccc1)C1CCOCC1 575613543 STGPTHIFSXSWMG-QHCPKHFHSA-N 426.469 1.462 0 40 IDAB COc1cccc(NC(=O)c2nc3c(s2)CCN(C(=O)CCS(C)(=O)=O)CC3)c1 1142529541 VYVMWZRPBQFZEV-UHFFFAOYSA-N 437.543 1.766 0 40 IDAB O=c1/c(=C/c2ccc(I)o2)sc2n1CN(c1ccccc1)CN=2 1239956 KRECLKXHSZNRTL-JYRVWZFOSA-N 437.262 1.991 0 40 IDAB CN(C)S(=O)(=O)c1cccc(COC(=O)CNC(=O)c2ccc(Br)o2)c1 2629647 MOUOWIKLYPTGMW-UHFFFAOYSA-N 445.291 1.766 0 40 IDAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1F)c1ccncc1 3641206 DBWVYOSUWLNSEB-GOSISDBHSA-N 449.320 1.200 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](n2cnc3c(=S)nc[nH]c32)[C@H](OC(C)=O)[C@@H]1N(C)C(C)=S 4972633 ILKLSOUSFFKWLF-VYHVBIQSSA-N 439.519 1.529 0 40 IDAB COc1ccc(NC(=O)CNC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 6232684 YZQQLTKAYSDCTD-NRUGXNMXSA-N 436.461 1.146 0 40 IDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1cccc(OCCN2CCCCC2)c1 9420777 NPLHBXZCCRPYNS-UHFFFAOYSA-N 436.516 1.849 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(OC)c2)n(C)c1=O 9518973 VSGCIPTZGRUSKM-CYBMUJFWSA-N 427.461 1.256 0 40 IDAB COCCn1c(C)c(C)n2c3c(=O)n(CC(=O)OCc4ccccc4)c(=O)n(C)c3nc12 9713168 BQSRWHRLHCZNPH-UHFFFAOYSA-N 439.472 1.156 0 40 IDAB CCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC[C@H]2CCCO2)cc1 12137108 BDBNHRYTTBNGFS-IAGOWNOFSA-N 449.529 1.013 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnnn1-c1ccc(O)cc1 12532473 CJIYRMBEBOJUNV-UHFFFAOYSA-N 448.530 1.657 0 40 IDAB COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 13566408 PCYHSOBWILWNCJ-UHFFFAOYSA-N 436.486 1.742 0 40 IDAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CN(C(=O)Cn3cccnc3=O)CCO2)n1 19692721 NUIVYCNHBSAHSC-GOSISDBHSA-N 438.463 1.506 0 40 IDAB Cc1nc([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)ncc1C(=O)Nc1ccccc1 19765214 IGZWDBGZJMALOW-QGZVFWFLSA-N 445.545 1.794 0 40 IDAB COc1ccccc1[C@@H]1N=C2NCN(CCN3CCOCC3)CN2c2nc3ccccc3n21 20101474 IUDVUVBXSPSKLJ-JOCHJYFZSA-N 447.543 1.920 0 40 IDAB CCc1cccc(NC(=O)Cn2c(=O)c(N3CCCCC3)c(N)n(CCOC)c2=O)c1 32958181 QWGSKCARUWLNSG-UHFFFAOYSA-N 429.521 1.430 0 40 IDAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(CC(=O)N3CCCC3)CC2)c2ccc(F)cc21 36356878 YGWIPOIYLUPEAI-NRFANRHFSA-N 446.479 1.231 0 40 IDAB COC(=O)C1CCN(C(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 44914727 LFONJVLPOJCBTB-MRXNPFEDSA-N 430.910 1.669 0 40 IDAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 59118923 UZUQJUUYGXWYKP-HNNXBMFYSA-N 442.541 1.912 0 40 IDAB O=C(NCCC1=CCCCC1)C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70902491 UGBHUQDQMYRHFW-UHFFFAOYSA-N 434.562 1.605 0 40 IDAB Cc1nc(NC(=O)Cn2ccc(=O)n(C)c2=O)c(Br)cc1Br 72307864 YKRCPSYJZUADQH-UHFFFAOYSA-N 432.072 1.414 0 40 IDAB CN(C)c1ncc(CN2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)cn1 72335970 BZQMCZSUNIUXOL-UHFFFAOYSA-N 445.593 1.716 0 40 IDAB CC(C)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)C(=O)O 80358390 RSBSMAQWXADQET-SMDDNHRTSA-N 426.520 1.317 0 40 IDAB CCOC(CNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)(OCC)c1ccccn1 95465467 FBLYAVFZFIIXLJ-HNNXBMFYSA-N 446.529 1.551 0 40 IDAB COc1cc2nc(C)n(CCNC(=O)[C@@H]3COc4ccccc4O3)c(=O)c2cc1OC 95476304 HNLYWAWMTUYMKJ-FQEVSTJZSA-N 425.441 1.678 0 40 IDAB O=C1CCCN1c1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 103290183 LDELONGIPLCKHV-IRXDYDNUSA-N 442.559 1.170 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222390799 OLLJUZHQVINXRA-MRXNPFEDSA-N 443.525 1.693 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 245026744 NJUCRKQTLDVUHM-UHFFFAOYSA-N 438.575 1.734 0 40 IDAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)N[C@H]1CCS(=O)(=O)C1 524734625 WOULUQYUSHSAAF-XOBRGWDASA-N 439.493 1.495 0 40 IDAB Cc1sc(-n2cnnn2)c(C(=O)Nc2cccc(C(=O)N3CCNC(=O)C3)c2)c1C 524735482 FFLWPKNOVPKOOK-UHFFFAOYSA-N 425.474 1.165 0 40 IDAB O=S(=O)(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(Cl)cc1 575608396 SYCGVMBJFUJBEE-UHFFFAOYSA-N 438.941 1.440 0 40 IDAB COc1cc(CN2CC[C@@](O)(CN3CCC(NC(C)=O)CC3)C2)ccc1OCCN(C)C 585272954 NQJUURGHKSAUMJ-XMMPIXPASA-N 448.608 1.173 0 40 IDAB Cc1cc2c(cc1S(=O)(=O)NC(=O)CCc1cn(C)nc1C)O[C@@H](C(C)C)C(=O)N2 585281968 VXUFWZXPJZUMJC-IBGZPJMESA-N 434.518 1.830 0 40 IDAB COc1c2c(c(Br)c3c1[C@@H](CC(=O)NCCN(C)C)N(C)CC3)OCO2 1547138684 PODFSDWRJKHRLC-GFCCVEGCSA-N 428.327 1.783 0 40 IDAB biogenic Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 2469198 NSMZQNRPHVRYOL-LLVKDONJSA-N 426.882 1.064 0 40 IDAB CCOC(=O)OC[C@H]1O[C@@H](Oc2ccccc2Cc2ccc(OC)cc2)[C@H](O)[C@@H](O)[C@@H]1O 3974200 QLXKHBNJTPICNF-QMCAAQAGSA-N 448.468 1.646 0 40 IDAB in-man CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C 8706162 VHBCKGAVMNRTPR-UHFFFAOYSA-N 430.896 1.831 0 40 IDAB COc1ccc(CC(=O)NCCn2ncc3c(N4CCOCC4)nc(SC)nc32)cc1 8947414 RAMSBZZEHCNPOD-UHFFFAOYSA-N 442.545 1.752 0 40 IDAB C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9871257 ZCMOBKKHIXZBRF-ZJUUUORDSA-N 437.503 1.336 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 10213434 RYPQXJZPIHAALI-UHFFFAOYSA-N 431.470 1.600 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)CC2)cc1C(N)=O 10914700 FGYMOJIDIGWQKB-UHFFFAOYSA-N 441.513 1.712 0 40 IDAB CN1C(=O)c2ccc(NC(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)cc2C1=O 12758707 JVPPBLFIFVLUJY-UHFFFAOYSA-N 435.484 1.378 0 40 IDAB O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13039531 ZAUHCZOVTKRBCQ-UHFFFAOYSA-N 432.498 1.760 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCCCn1ccnc1 13566684 YSSXGXPGNIHBBF-UHFFFAOYSA-N 442.925 1.143 0 40 IDAB O=C(COC(=O)c1[nH]nc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 13637293 BFGRNYQCNAAYDF-UHFFFAOYSA-N 444.469 1.379 0 40 IDAB NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(O)cc3)CC2)C1=O 14532697 XVGXMUMCUZAPMI-UHFFFAOYSA-N 436.512 1.719 0 40 IDAB Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(CO)o3)n2)cc1 15674548 ZLVBSBLVRCWVPC-KDOFPFPSSA-N 433.486 1.745 0 40 IDAB biogenic,in-vitro O=C(CN1CCN(C2CCCC2)CC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292015 JUHMHXZETALWGW-IBGZPJMESA-N 427.593 1.846 0 40 IDAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)[C@H]4CCOC4)CC3)n2)CC1 19497070 PYDLDLRJGLPUKN-KRWDZBQOSA-N 436.578 1.859 0 40 IDAB COc1cc(CC(=O)N2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)cc(OC)c1OC 19549644 ILONUCDLUUGGPD-UHFFFAOYSA-N 428.489 1.523 0 40 IDAB Cc1nc([C@H]2CCCN2C(=O)CN2CCNC(=O)C2)ncc1C(=O)Nc1ccc(F)cc1 19755518 HWFNBDJGLVQHHJ-GOSISDBHSA-N 440.479 1.272 0 40 IDAB CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4cnccn4)CCO3)nc3ccccc23)CC1 19762745 PZPKLFWRJQYLFN-QFIPXVFZSA-N 446.511 1.626 0 40 IDAB C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)N[C@@H]1CCS(=O)(=O)C1 21669688 SBMXHJUKBKKZGJ-ZOWXZIJZSA-N 438.531 1.112 0 40 IDAB CN1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1 23134323 ZVTNNBXHNYWKMN-UHFFFAOYSA-N 444.557 1.712 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1ccccc1C(=O)NC1CC1 25070394 JDGWZFFJSKFOBJ-UHFFFAOYSA-N 446.529 1.888 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)n(C)c1 25339514 DCVQLSBDDFHVKE-UHFFFAOYSA-N 439.847 1.842 0 40 IDAB CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 40150765 LXIWESBHSZRMGY-KRWDZBQOSA-N 431.580 1.778 0 40 IDAB COCC(=O)Nn1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(COC)nn32)c1=O 40396211 UTQOKXKWGFFDIP-UHFFFAOYSA-N 428.836 1.623 0 40 IDAB C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)CNC(=O)OC(C)(C)C 89900671 TVWIWCFDOHSGPL-LBPRGKRZSA-N 435.493 1.910 0 40 IDAB CNC(=O)c1cccc([C@@H]2CN(CC(=O)NCCc3nc4ccccc4[nH]3)CCN2C)c1 257227204 FOCGHGDYVXFGNN-NRFANRHFSA-N 434.544 1.570 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3cccc(F)c3)C2)cs1 306132709 LPWBPSQCJONSGY-NRFANRHFSA-N 427.505 1.905 0 40 IDAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)c1 408660783 VHSLPNYLCJESIR-MRXNPFEDSA-N 425.441 1.679 0 40 IDAB O=C(CCc1ccccc1)N1CC[C@](O)(CNCCc2ccc3c(c2)OCO3)[C@@H](O)C1 585285624 RCJGZRBBBPWDCT-UPVQGACJSA-N 426.513 1.505 0 40 IDAB CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N3CCNC(=O)C3)cc2C1 643576368 ZGZMPGUEFJYYRA-UHFFFAOYSA-N 444.576 1.467 0 40 IDAB O=S1(=O)CCO[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1cccc(F)c1 1534645866 NKYKQKYNZPTJPP-NQIIRXRSSA-N 434.489 1.969 0 40 IDAB COc1ccc(-c2cc(=O)n(CC(=O)N3C[C@@H]4CN(c5nccs5)C[C@H]4C3)cn2)cc1 1888922145 VWBGQKJUZWEWMG-IAGOWNOFSA-N 437.525 1.970 0 40 IDAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccco1 9302727 GOOSFDHUCMQACI-HNNXBMFYSA-N 437.493 1.642 0 40 IDAB COc1ccc(C(=O)OCC(=O)N2CCC[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 9315753 VNKTWZCQSNSGDI-HNNXBMFYSA-N 440.518 1.131 0 40 IDAB Cn1c(=O)c2c(SCC(=O)Nc3nccs3)nc(-c3ccccc3)nc2n(C)c1=O 9382381 UJMVUTKOWPXVFJ-UHFFFAOYSA-N 440.510 1.882 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccco1 9418415 MIEAOWDLYIVPHW-RTBURBONSA-N 426.473 1.817 0 40 IDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9580910 UMINWAHEEXGPTQ-UHFFFAOYSA-N 430.461 1.599 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9671906 QXPRVLLFVXROER-UHFFFAOYSA-N 441.509 1.616 0 40 IDAB COc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 9716162 BHDVANRTJYBGSV-UHFFFAOYSA-N 446.525 1.622 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 10231875 NABZJUWOQWFZKQ-QGZVFWFLSA-N 436.384 1.915 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)N3CCCC3)CC2)c1 10263281 CTTHNGSPNBKQPE-MRXNPFEDSA-N 436.530 1.844 0 40 IDAB COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1OC 13856692 BLUZUBMJOJDWIB-HNNXBMFYSA-N 444.415 1.762 0 40 IDAB Cc1ccnc(SC[C@@H](C)Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)n1 16024757 UKWOWWYEEHLAOJ-QMMMGPOBSA-N 425.312 1.713 0 40 IDAB O=C(CCc1ccccc1)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 18189365 UJYYOMWQBNTZOM-UHFFFAOYSA-N 430.526 1.837 0 40 IDAB CNC(=O)c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)nc1C 19711148 AMJYYPAHKWVMSA-KRWDZBQOSA-N 443.529 1.466 0 40 IDAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)CN4CCCC4=O)C3)nc2C)cc1 19766146 ZEZAOXWVLVYYTQ-INIZCTEOSA-N 437.500 1.984 0 40 IDAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(OC)c(OC)c2)cc1 20021159 CLGOWTKNJYDTOK-UHFFFAOYSA-N 438.502 1.324 0 40 IDAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 22928736 USTYOEMXJVJYFP-QHCPKHFHSA-N 440.519 1.982 0 40 IDAB CN1CCc2nc(NC(=O)C3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)sc2C1 23608558 FGRCLABTHNQPBR-UHFFFAOYSA-N 445.570 1.931 0 40 IDAB COC(=O)c1cccc(COC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c1 23817457 HLSDIDAOFHGQKR-QFIPXVFZSA-N 426.425 1.992 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)Cn1cc(S(=O)(=O)N3CCCC3)ccc1=O)OCO2 24709929 ZIJOCSZJCTYRLU-UHFFFAOYSA-N 447.469 1.203 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 25394755 LXBLTPOOEYRZNT-UHFFFAOYSA-N 442.969 1.063 0 40 IDAB COc1cc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(C)cc1C 38488314 RQPAPAGMXPTGOU-UHFFFAOYSA-N 435.550 1.637 0 40 IDAB O=C1N[C@@H](C(=O)N2CCN(Cc3ccncc3)CC2)CS[C@@H]1Cc1ccccc1F 40087828 XOUVRXOLIIZPFC-WOJBJXKFSA-N 428.533 1.708 0 40 IDAB COCCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945825 VWKIWIKWLMRILJ-IBGZPJMESA-N 432.496 1.551 0 40 IDAB Cc1cc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc(S(=O)(=O)N(C)C)c1C 58305923 YHRFATRYUOXYML-UHFFFAOYSA-N 441.594 1.899 0 40 IDAB Cc1cc(Br)cc2c1N(CC(=O)N1CCN(S(C)(=O)=O)CC1)CCC2 72272297 YXYBOSPBBASSSS-UHFFFAOYSA-N 430.368 1.614 0 40 IDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)CCN3C(=O)CSC3=O)CC2)n1 72337136 ZABPXPSCMPHNDV-UHFFFAOYSA-N 433.534 1.413 0 40 IDAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1 95959106 CJVXMDIESHIILA-UONOGXRCSA-N 442.559 1.958 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](Cn3cccn3)C(C)(C)C)C2)cnn1C 102642913 DKSOAKDEESCACL-FUHWJXTLSA-N 436.582 1.557 0 40 IDAB C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 104123744 WSRCNHNFYBLVAN-SDADXPQNSA-N 430.457 1.892 0 40 IDAB COc1ccccc1NC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224501671 VUFPOHVVKQYFGY-UHFFFAOYSA-N 435.502 1.917 0 40 IDAB CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)Cn1c(-c2cscn2)nc2ccccc21 506690890 TWEJEJNDHNCZII-KGLIPLIRSA-N 433.559 1.994 0 40 IDAB COc1cccc(OCCN2CCN(C(=O)c3c(C)oc(C)c3S(N)(=O)=O)CC2)c1 675925799 DDNBOOSLOJQJQU-UHFFFAOYSA-N 437.518 1.389 0 40 IDAB O=C(NCc1cccc2c1OC(F)(F)O2)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1641302216 IZELRWYPZNIMDJ-HOCLYGCPSA-N 436.386 1.968 0 40 IDAB CCN(CC)CCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O 2601900 PTNZTMJQKLMEQP-UHFFFAOYSA-N 425.327 1.691 0 40 IDAB CC(C)N(C(=O)Cn1cc(S(=O)(=O)CC(=O)N2CCOCC2)c2ccccc21)C(C)C 10460862 WWWGPGOXLYLANE-UHFFFAOYSA-N 449.573 1.919 0 40 IDAB CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 11998519 UKHKZNYCHLGFAH-AWEZNQCLSA-N 431.580 1.398 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(Cc3ccncc3)CC2)C1=O 12543351 NFVLNFNUDFAXBN-XMMPIXPASA-N 435.528 1.669 0 40 IDAB COc1ccc([C@@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)c2c[nH]c3ccccc23)cc1 12567479 AUCOLSWBEBZEOL-QGZVFWFLSA-N 434.452 1.845 0 40 IDAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 13513689 DVYIPXPDIFRZMK-GPMSIDNRSA-N 432.550 1.758 0 40 IDAB CC[C@]1(C)NC(=O)N(NC(=O)CN(C)Cc2cc(Br)ccc2OC)C1=O 15444251 OWKSDWDMMOOEOU-KRWDZBQOSA-N 427.299 1.641 0 40 IDAB Cc1ccc(NC(=O)Cn2nnc(-c3cccs3)n2)cc1S(=O)(=O)N1CCOCC1 15555134 STBVZLUUPLLEQU-UHFFFAOYSA-N 448.530 1.370 0 40 IDAB CCOC(=O)CN1C(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O 18178970 KZLDWBSCYBHPAW-ROUUACIJSA-N 425.393 1.370 0 40 IDAB CN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)Cc1ccc2c(c1)OCO2 19541914 CMRRMHXKSWNCAD-UHFFFAOYSA-N 436.468 1.221 0 40 IDAB COc1cccc(NC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2Br)c1 21464721 UWAHXCLCDRXWOV-UHFFFAOYSA-N 443.275 1.901 0 40 IDAB Cc1cccc(OCCNC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)c1 21628193 FYKVFSBKTVZBRD-OAHLLOKOSA-N 438.575 1.388 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCN(c2ncccn2)CC1 21848119 JNOZPPQXRVSGFI-MRXNPFEDSA-N 432.550 1.185 0 40 IDAB C[C@H](NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O)c1ccccc1 22377911 GTUHQRWFLZHZCO-HNNXBMFYSA-N 439.559 1.580 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3Cl)CC2)C[C@@H](C)O1 30665009 HWOPTVZKEPNWLU-IYBDPMFKSA-N 429.970 1.771 0 40 IDAB O=C(c1ccc(O)c(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 32992602 DLVNWZSGXPDPSR-UHFFFAOYSA-N 438.889 1.964 0 40 IDAB CCN(CC(=O)Nc1ccccc1OC)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 33000582 LCCOQGHDTFATQY-QHCPKHFHSA-N 438.484 1.949 0 40 IDAB Cc1ccc2c(=O)c(C(=O)N3CCCC3)cn(CC(=O)NCc3ccc4c(c3)OCO4)c2n1 49002204 ARGBICBEYPFXOJ-UHFFFAOYSA-N 448.479 1.986 0 40 IDAB COc1ccc(N[C@H](C(=O)N(C)C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 57529480 ZATSSUOLLRLFDN-FQEVSTJZSA-N 433.530 1.958 0 40 IDAB O=C([C@H]1O[C@H](CCN2CCC(CO)CC2)CC[C@@H]1O)N1CCN(c2ccccc2)CC1 67870589 COCVMASYTQKXMC-VABKMULXSA-N 431.577 1.338 0 40 IDAB biogenic,in-vitro Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70924430 RFBBFGVPVMGOMN-UHFFFAOYSA-N 427.523 1.908 0 40 IDAB CCOC(=O)[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 72334304 YCCCPRQREJUUFK-GLDPYIMESA-N 437.496 1.139 0 40 IDAB CCn1cc([C@@H]2C[C@@H](C(=O)Nc3cc(Cl)ccc3O)N(C)S(=O)(=O)N2)c(C)n1 72335011 RRKYNLKOYXESEC-ZFWWWQNUSA-N 427.914 1.789 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]([C@@H]4Nc5ccccc5S(=O)(=O)N4)C3)cc2n1 72342526 PSVKMJASASWSEV-FOIQADDNSA-N 440.529 1.928 0 40 IDAB COc1ccc(CCNC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)cc1OC 96395629 WJMHJGOGJQGFCH-UHFFFAOYSA-N 437.504 1.650 0 40 IDAB COCC(=O)N1CCc2c(nc3cc(C4CCN(CC5=CCCOC5)CC4)nn3c2O)C1 100232756 WMWYTMBILAYKJX-UHFFFAOYSA-N 441.532 1.492 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@H](C(=O)OC)[C@H]3C2=O)cc1 101027678 OGHTWSBACFWVHF-WZRBSPASSA-N 448.478 1.534 0 40 IDAB Cc1cccc(-c2noc(CNC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)n2)c1 219270173 NZROZPZWGIOBMR-QGZVFWFLSA-N 428.470 1.888 0 40 IDAB COc1ccc(CCN2CC(=O)N(c3ccc(OC)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 230099338 DSFWKBREMJZELW-NHCUHLMSSA-N 430.526 1.761 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408657319 JKQMXNCSUHPXOC-RUUSSUOPSA-N 426.425 1.151 0 40 IDAB Cn1ccnc1C(=O)c1cc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 5981468 WRCQRWVKRWOISF-CYBMUJFWSA-N 444.538 1.595 0 40 IDAB COc1ccc([C@@H]2CCCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 8013556 XPVYRQRBKIQDLH-KRWDZBQOSA-N 425.489 1.586 0 40 IDAB COc1cc(OC)cc(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c1 8594626 XXVOETGSARWPFZ-UHFFFAOYSA-N 426.473 1.983 0 40 IDAB Cc1cc(C)n2nc(SCC(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)nc2n1 8621828 DQFFRBZZEZQQNE-IBGZPJMESA-N 425.474 1.332 0 40 IDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O)c1cccs1 8704901 RYDFSALPXCGJDA-HXPMCKFVSA-N 425.474 1.368 0 40 IDAB COC(=O)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 8861654 ALTRHXVQCACDNG-UHFFFAOYSA-N 431.514 1.998 0 40 IDAB Cn1c2ccc(Br)cc2c2nnc(SCC(=O)Nc3nonc3N)nc21 9261908 BZAATRLILUDDKC-UHFFFAOYSA-N 435.267 1.975 0 40 IDAB COc1cccc(/C=C2\SC(=O)N(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)c1 9348807 XUTAXMXYCRHFEI-VQCBNXJZSA-N 438.527 1.767 0 40 IDAB Nc1c(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c(=O)[nH]c(=O)n1C1CC1 9481130 KGJGXFIUIQMBOS-UHFFFAOYSA-N 425.474 1.417 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC2CCCCC2)c1 9577731 NLWKOBQHPQKNDS-IBGZPJMESA-N 437.562 1.606 0 40 IDAB O=C(CSc1nnnn1-c1ccc(O)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9638944 ORQPOAXSKBDCCT-MRXNPFEDSA-N 445.526 1.680 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N1 10232286 DSUFQXVRGKLNME-KRWDZBQOSA-N 436.384 1.915 0 40 IDAB CC(C)OCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1 10385612 MDILDVMGDSBTSI-MRXNPFEDSA-N 445.520 1.101 0 40 IDAB C[C@@H]1CN(C(=O)CSc2nc(C3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)C[C@@H](C)O1 12140395 XTVPWMWYSRAQCD-CHWSQXEVSA-N 447.561 1.413 0 40 IDAB COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)C(C)C 13624564 SOVAMZYDBNWLGE-DOMZBBRYSA-N 440.547 1.406 0 40 IDAB O=S(=O)(N1CCCCCC1)N1CCN(Cn2nc3n(c2=S)CCCCC3)CC1 14238803 CKBGAPUHZLBCLQ-UHFFFAOYSA-N 428.628 1.836 0 40 IDAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 15555708 WYXAGFMQZXDGON-CQSZACIVSA-N 439.559 1.854 0 40 IDAB CCN(C(=O)[C@H](C)OC(=O)C[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCS(=O)(=O)C1 16770736 YVUAYECFGVUZMW-XEZPLFJOSA-N 440.543 1.457 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)NCc1ccccc1 17179240 OFXZFMUTPHMAGY-UHFFFAOYSA-N 444.447 1.652 0 40 IDAB Cc1nc(C)c(S(=O)(=O)N[C@H](c2cc(O)nc(N3CCN(C)CC3)n2)C(C)C)s1 19560589 UJABPJFGRZJRRV-INIZCTEOSA-N 440.595 1.683 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(C)Cc1nc([C@@H]2CC(=O)N(C)C2)cc(N(C)C)n1 19701022 QTCMEDWQPOBYBE-OAHLLOKOSA-N 447.561 1.626 0 40 IDAB CS(=O)(=O)NCC(=O)N1CCC[C@@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 19767382 JOJLGZGGTKBMPV-OAHLLOKOSA-N 434.493 1.728 0 40 IDAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1 20533340 CZBMRGBQASFIIU-UHFFFAOYSA-N 436.516 1.396 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(c1ccccc1)S(C)(=O)=O 22326291 MUEBERRSXLYLBP-UHFFFAOYSA-N 437.543 1.292 0 40 IDAB COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1C(=O)N1CCOCC1 24614025 OLZVZQBMQIKBOL-UHFFFAOYSA-N 433.486 1.927 0 40 IDAB CC(=O)N[C@@H](NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl 26841580 NWNJMUITOYPCJP-WDMOLILDSA-N 437.780 1.974 0 40 IDAB biogenic CCOC(=O)[C@@H]1[C@H](c2cn(-c3nc(C)cc(C)n3)nc2C)NC(=O)N[C@@]1(O)C(F)(F)F 28466549 OFEIUHZNGSZWKK-DCGLDWPTSA-N 442.398 1.372 0 40 IDAB COc1ccc(OCCN2CCN(C(=O)[C@@H]3CCCN(c4cnccn4)C3)CC2)cc1 29756695 LAFYCESHAHRLRD-LJQANCHMSA-N 425.533 1.925 0 40 IDAB Cc1cc(C)cc(-n2nnnc2SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 35380048 IFYAXFBJHBQDCC-UHFFFAOYSA-N 443.577 1.138 0 40 IDAB C[C@H](NC(=O)COc1ccccc1)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 36396343 LGZQORCTJMLMMK-SFHVURJKSA-N 448.564 1.629 0 40 IDAB C[C@H]1CN(c2ccc(CNC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cn2)C[C@H](C)O1 40106840 JSAPIFMNGRSVCF-IRXDYDNUSA-N 443.548 1.956 0 40 IDAB OCCN1CCN(Cc2nc(O)c3cc(Br)cc(Br)c3n2)CC1 57406345 IHWIVXYUUSYOFT-UHFFFAOYSA-N 446.143 1.970 0 40 IDAB O=c1ccc(-n2ccnc2)nn1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 58438193 QTKMRCAVSHSNFW-UHFFFAOYSA-N 434.909 1.046 0 40 IDAB C[C@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)NC1CCCC1 60909241 ZVNUEDVFLDRRJS-JTQLQIEISA-N 433.324 1.946 0 40 IDAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2ccnc2S(C)(=O)=O)c1 72307045 HWPSRXSMPSHTTG-UHFFFAOYSA-N 448.526 1.750 0 40 IDAB CS(=O)(=O)c1snnc1C1CCN(C(=O)COc2ccc3c(c2)OCO3)CC1 72392517 HFIRFDOFZRHORS-UHFFFAOYSA-N 425.488 1.455 0 40 IDAB CCN(CC)CCNC(=O)c1ccc2nnc([C@H]3CN(c4ncccn4)CCN3C)n2c1 96156699 UIGCCBWAKWKBAJ-GOSISDBHSA-N 437.552 1.084 0 40 IDAB NC(=O)[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 97163868 SVGFYDDTLTZYLU-INIZCTEOSA-N 441.431 1.974 0 40 IDAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 150374458 MTKNDAQYHASLID-KONCXAGMSA-N 448.512 1.526 0 40 IDAB endogenous,world CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223617197 DHCORGNXQMLQLH-MRXNPFEDSA-N 443.525 1.693 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC 225017937 PRAATSIFURBXEB-UHFFFAOYSA-N 449.529 1.800 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(Br)o3)CC2)cn1C 244986289 JODZJGPSUBURLN-UHFFFAOYSA-N 431.312 1.621 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(F)cccc3F)CC2)cn1C 253470833 ABOMFYIZZFBKRE-UHFFFAOYSA-N 434.490 1.092 0 40 IDAB COCc1nc2ccccc2n1CC(=O)N1CCN(CCc2ccccc2)C[C@H]1C(N)=O 257318588 VOPHOJPALNWLCR-NRFANRHFSA-N 435.528 1.424 0 40 IDAB O=C1CN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H](COc4ccccc4)C3)cc2)CCN1 504166534 RCBLCUKIIUKBJL-KRWDZBQOSA-N 443.525 1.348 0 40 IDAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 575423458 FJHPPLVFEWGKDY-NEPJUHHUSA-N 431.319 1.183 0 40 IDAB CC(CNC(=O)Cn1ccc(C(F)(F)F)n1)CNC(=O)Cn1ccc(C(F)(F)F)n1 584675675 YDRIHNOSXMMELK-UHFFFAOYSA-N 440.348 1.686 0 40 IDAB CCOC(=O)[C@]12CCCN(C(=O)c3nnsc3C)C[C@H]1CN(c1ncc(C)cn1)C2 585108048 IMIGJTPUFXWDLX-YWZLYKJASA-N 430.534 1.867 0 40 IDAB CCCCN1CCOc2ccccc2C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CC(C)C)C1=O 643551278 YXRCQUUYSGRONL-ZWKOTPCHSA-N 447.532 1.812 0 40 IDAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1C[C@@H]2CN(c3cc(O)nc(O)n3)C[C@@H]2C1 1888869387 FHQJXSIZKSXDLU-PHIMTYICSA-N 440.428 1.093 0 40 IDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1 3333216 KAOAMWDKURQKDL-UHFFFAOYSA-N 431.898 1.516 0 40 IDAB COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(S(N)(=O)=O)cc3)C(=O)[C@@H]1C2 8770493 QLXQCOJLOXEYDS-HNNXBMFYSA-N 433.511 1.410 0 40 IDAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccc4c(c3)OCO4)c2N)c1 9226949 DVGZNLGTZUJESN-UHFFFAOYSA-N 440.416 1.497 0 40 IDAB Cc1cc2c(cc1NS(=O)(=O)c1ccc(N3CCCC3=O)cc1)n(C)c(=O)c(=O)n2C 9645719 AZWZIJUMUHMRRS-UHFFFAOYSA-N 442.497 1.473 0 40 IDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O 9666549 VOJFAEVNTVSPJB-YWZLYKJASA-N 431.470 1.267 0 40 IDAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1 10151219 VUEIQNPKGGKVBK-GJZGRUSLSA-N 442.509 1.508 0 40 IDAB COc1ccc(C(=O)Oc2ccc(-c3nnco3)cc2)cc1S(=O)(=O)N1CCOCC1 12921824 IGXIBHFFIINOPO-UHFFFAOYSA-N 445.453 1.985 0 40 IDAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1S(N)(=O)=O 13002913 PCONTGYNNDXGQG-NSHDSACASA-N 449.510 1.871 0 40 IDAB CC(C)CN(C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 13072534 WFJZSIJFNSTMIB-OAHLLOKOSA-N 449.529 1.071 0 40 IDAB O=C(COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1)c1ccc[nH]1 13100770 BMTVECMNZBZNOQ-APWZRJJASA-N 428.466 1.718 0 40 IDAB Cc1ccc(NC(=O)CSc2nnc3ccccn23)cc1S(=O)(=O)N1CCOCC1 13135902 HRHWCWJPQSKHBC-UHFFFAOYSA-N 447.542 1.789 0 40 IDAB Cc1cc(Cl)c2c(c1)[C@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 16020143 KCSUZGNYMXHPDB-PPSDVSMJSA-N 444.919 1.577 0 40 IDAB Cn1cc(CN2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)cn1 20528478 AVPWDKGGZXBPCL-GOSISDBHSA-N 449.552 1.304 0 40 IDAB COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 22332447 NFVIJZQLPOUKIG-AWEZNQCLSA-N 440.543 1.742 0 40 IDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 22796669 CVJKFDQWLRPVKV-NRFANRHFSA-N 438.528 1.825 0 40 IDAB O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134743 ZHHLUIRFBUFKLK-UHFFFAOYSA-N 428.399 1.627 0 40 IDAB Cc1cc(CSc2ncccc2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)no1 24601635 BLLPSHUXXDCMDP-INIZCTEOSA-N 436.559 1.615 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 27158748 ZHDIREWKAOOZSR-QGZVFWFLSA-N 431.514 1.665 0 40 IDAB C[C@H]1Cc2cc(S(=O)(=O)NCCN3CCOCC3)ccc2N1C(=O)c1ccccc1 28207173 IOSAJTDKLDCGQA-KRWDZBQOSA-N 429.542 1.889 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(S(N)(=O)=O)cn1C 29122522 JSCAVISAAVWSMZ-UHFFFAOYSA-N 443.323 1.454 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1 70655986 KDRLQODTYFEBHO-AWEZNQCLSA-N 427.490 1.165 0 40 IDAB Cc1nsc(N2CCCN(CC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)CC2)n1 78950461 NFXCIAOCCNHPBL-UHFFFAOYSA-N 443.577 1.735 0 40 IDAB O=C([C@H](c1ccccc1)n1cnnn1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 95476257 FETGUWVGDCWOCX-SFHVURJKSA-N 446.920 1.449 0 40 IDAB O=C(C1CCOCC1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96056159 VQRNCFVDQXEYIL-CVDCTZTESA-N 427.549 1.474 0 40 IDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21)Nc1ccc2c(c1)OCCO2 101166614 RZZRTAUGFWTTAH-MSOLQXFVSA-N 425.376 1.529 0 40 IDAB COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 135653439 TZTYXTVFHBZCGU-ZCNNSNEGSA-N 438.528 1.351 0 40 IDAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)ccc21 224756876 MNPNUGHFRJSSPE-UHFFFAOYSA-N 433.555 1.911 0 40 IDAB CN(Cc1cccnc1)Cc1nc(C2(O)CCN(C(=O)N3CCOCC3)CC2)cs1 225426889 BRBRMWCKWGQRLE-UHFFFAOYSA-N 431.562 1.906 0 40 IDAB biogenic,in-vitro O=C1CCCN1Cc1cn(C2CN(S(=O)(=O)c3ccc(Br)s3)C2)nn1 225633671 ILUXQXPLUCZBEY-UHFFFAOYSA-N 446.352 1.470 0 40 IDAB COC(=O)COc1ccc(S(=O)(=O)NCc2cc(C)nn2C)cc1Br 226686392 OYKVQUIIEZQOEZ-UHFFFAOYSA-N 432.296 1.521 0 40 IDAB CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32 245229704 DMQBJQRBCCUDSL-HLLYSYHASA-N 442.512 1.617 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(C)n3)CC[C@@H]2O)CC1 257213782 CJBCRVITTOILIR-UNMCSNQZSA-N 443.523 1.356 0 40 IDAB Cc1cc(N2CC[C@](O)(CNC(=O)COc3ccc(CN4CCCC4)cc3)C2)ncn1 257272451 NCLSWEKHFJKCTN-QHCPKHFHSA-N 425.533 1.517 0 40 IDAB O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)C(=O)N[C@H]1CCN(C2CCCC2)C1 552438270 QHECXPJQKWESRK-ICSRJNTNSA-N 428.533 1.553 0 40 IDAB Cc1noc(C)c1C(=O)N1CCN2CCn3c(C(=O)NCC4CCCCC4)nnc3[C@H]2C1 585109969 XSNDLHBIEWHCMP-QGZVFWFLSA-N 441.536 1.706 0 40 IDAB O=S(=O)(c1ccccc1)N1CC[C@@H](O)[C@](O)(CNCCc2c[nH]c3ccccc23)C1 585290684 SZMDXPQQHUNGLK-YADHBBJMSA-N 429.542 1.487 0 40 IDAB Cc1nc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc(-n2cccn2)n1 1889218211 TVABJNMGSLUTTG-UHFFFAOYSA-N 430.398 1.754 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(OC(=O)c1ccccc1)n2C[C@H](O)COc1ccccc1 3109206 BTWRODCEWHDSGT-HNNXBMFYSA-N 436.424 1.082 0 40 IDAB CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCN(C)C 8879478 UMWBQRWFAJTPSB-XOBRGWDASA-N 444.532 1.572 0 40 IDAB biogenic CCCNC(=O)CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1 9127120 UDOSWFYKMJOWJP-UHFFFAOYSA-N 438.937 1.812 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)NC(=O)N[C@H]1C 9493652 YEGUUUQFBIRWDI-HOCLYGCPSA-N 429.473 1.139 0 40 IDAB Cc1nnc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1Cc1ccccc1 9725585 QCDICZWQTPOSER-UHFFFAOYSA-N 425.518 1.564 0 40 IDAB O=C(c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1)N1CCN(c2ccccn2)CC1 12030417 KJFIEUZESLVFGP-GOSISDBHSA-N 449.554 1.005 0 40 IDAB COc1cccc(CCNC(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)c1 12085585 BHPHEPLFAZHRHM-XMMPIXPASA-N 436.512 1.918 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(n3c(=O)[nH]c4ccccc43)CC1)C2=O 12592287 FFCMNLAYBIJKFU-IQMFZBJNSA-N 439.516 1.994 0 40 IDAB CCCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 12747977 GSBIRMKVDDPRPE-UHFFFAOYSA-N 432.546 1.613 0 40 IDAB CC(=O)c1c(C)[nH]c(C(=O)Cn2c(Br)nc3c(=O)n(C)c(=O)n(C)c32)c1C 12819860 QJTVYGXKCSUCNO-UHFFFAOYSA-N 436.266 1.227 0 40 IDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12950038 ZNAQSKINMUUMQF-JTQLQIEISA-N 431.975 1.302 0 40 IDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 12952169 ZGPCPCUFNFDJOX-UHFFFAOYSA-N 440.450 1.749 0 40 IDAB COc1ccc(C(=O)COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)c(OC)c1 13002656 TVCSYZUEWFJETR-UHFFFAOYSA-N 446.481 1.949 0 40 IDAB O=C(CN(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCC1)NCc1ccco1 13151014 KLTHHJGWUXBYDN-UHFFFAOYSA-N 437.493 1.785 0 40 IDAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3ccncc3)C(=O)[C@@H]1C2 13692770 BJCDIAXAVLFRJS-SFHVURJKSA-N 438.484 1.884 0 40 IDAB Nc1nccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 14048112 RSEQQLFYPQBIAU-UHFFFAOYSA-N 431.396 1.104 0 40 IDAB Cc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)cc1 19210512 WAHYWLQOORMQTM-UHFFFAOYSA-N 445.541 1.834 0 40 IDAB CC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(S(=O)(=O)c3ccc(C)cc3)CC1)C2=O 19699337 AVOOUJYKCJDJAW-UHFFFAOYSA-N 448.545 1.081 0 40 IDAB CN1CCN(C(=O)c2ccc([C@H]3CCCN(C(=O)CN4CCCCCC4=O)C3)nc2)CC1 19705984 HXXOBASAGQTNSR-FQEVSTJZSA-N 441.576 1.578 0 40 IDAB Cc1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)c(C)c1 20052181 GAGAARMEVWINLI-UHFFFAOYSA-N 436.516 1.396 0 40 IDAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 21204455 BWZPHYKDHXQDGD-UHFFFAOYSA-N 434.503 1.358 0 40 IDAB C[C@]1(c2ccco2)NC(=O)N(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1=O 22913004 DNONKBSDTYJNLU-OAQYLSRUSA-N 445.907 1.914 0 40 IDAB COc1ccc(CNC(=O)C(=O)NC[C@H](c2cccc(OC)c2)N2CCOCC2)cc1 23107103 HNDAHJSTJDNEND-OAQYLSRUSA-N 427.501 1.510 0 40 IDAB COc1cc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc(OC)c1OC 33330294 ZQDVHYMDYNLOLH-LDADJPATSA-N 437.477 1.676 0 40 IDAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 36398564 FXBRIWSYXNDEKC-RBUKOAKNSA-N 445.516 1.982 0 40 IDAB O=C(NCc1cccnc1OCc1ccccc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 48324920 KCFCDQHXGPOKMZ-OALUTQOASA-N 443.525 1.312 0 40 IDAB O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 59363944 ZHMOZKILVPKKFO-UHFFFAOYSA-N 442.343 1.846 0 40 IDAB O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCCC2)c1=O)NC1CCCC1 72331999 KMIMUQZGDFEVDL-UHFFFAOYSA-N 438.484 1.591 0 40 IDAB Cc1c(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cnn1CCO[C@H]1CCCCO1 89544834 GCERJPSZEVOTRK-QFIPXVFZSA-N 447.580 1.505 0 40 IDAB O=C(Cn1cccc(-c2nc(-c3cnccn3)no2)c1=O)Nc1ccc2c(c1)OCCO2 90592113 JUSGIKXWEPLZLB-UHFFFAOYSA-N 432.396 1.765 0 40 IDAB COc1cc(/C=C/C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)ccc1OCc1c(C)noc1C 95389824 SVVDFMOFGVSVFF-UABRLCRWSA-N 443.456 1.694 0 40 IDAB COc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 101352882 RKIWEYVLCSJPEV-RBUKOAKNSA-N 437.412 1.398 0 40 IDAB Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)O[C@@H]2[C@@H]2OC(=O)C(=O)[C@H]2C(=O)c2ccc(C)cc2)cc1 104247102 AQMIFMWHYUMHMK-AJAKECSLSA-N 434.400 1.590 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)CC1 220330822 MYVLEUOBNJOFSP-HNNXBMFYSA-N 427.523 1.459 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1 222911510 JRXYJQVCNRICQJ-UHFFFAOYSA-N 441.531 1.414 0 40 IDAB C[C@H](Oc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224479335 MHQMTIOKBYCGGA-KRWDZBQOSA-N 434.514 1.670 0 40 IDAB O=C(COc1ccc(CNC[C@]2(O)CCN(c3ccccn3)C2)cc1)N1CCOCC1 257290907 QETZXEZOVWHAJD-HSZRJFAPSA-N 426.517 1.050 0 40 IDAB COc1ccc(NC(C)=O)c(NC(=O)CN2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)c1 257307632 SZORCKCEFVUXBL-HXUWFJFHSA-N 440.491 1.760 0 40 IDAB COc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)nn2C)cc1 257314820 UYPOWTNXFWFSGL-KCZVDYSFSA-N 428.533 1.782 0 40 IDAB CN1CCN(C(=O)Cc2cccc(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)c2)CC1 530835617 DHMPPTNMQFUBLS-UHFFFAOYSA-N 445.523 1.912 0 40 IDAB COC(=O)c1ccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1 575615450 IFCXOADOOWNFQW-UHFFFAOYSA-N 441.410 1.663 0 40 IDAB Cc1cccc2c1NC(=O)[C@@]21N[C@H](CCC(=O)O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 2130496 FKWBHSUGFQMCEU-SYSFZUQMSA-N 433.464 1.780 0 40 IDAB biogenic Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1 8659280 ZZGFHUYKUJAFQJ-UHFFFAOYSA-N 438.922 1.691 0 40 IDAB CC(=O)Nc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)c1 9001106 QZKSQRSZFBKCBV-UHFFFAOYSA-N 444.451 1.599 0 40 IDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2sccc2c1=O 9591679 XAVNRJYPGSVHDQ-UHFFFAOYSA-N 428.470 1.716 0 40 IDAB O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)NC(=O)NC1CCCC1 9630627 FSLUOEKMMWKSRL-UHFFFAOYSA-N 443.547 1.460 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2cn(C)c3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)CC1 9821538 ONTRQVFWLLBEDD-UHFFFAOYSA-N 438.484 1.492 0 40 IDAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccccc3OC)c(=O)n12 9971327 MHXSAMJHOWGLLP-NMUQHIFESA-N 436.489 1.868 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](c2cnn(C)c2C)NS(=O)(=O)N1C 12130994 SAZVZMCCJHAYQI-UKRRQHHQSA-N 427.914 1.609 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)C1 12538219 RLDXDUBNUMJNCA-INIZCTEOSA-N 437.562 1.952 0 40 IDAB O=C(Nc1ccc(Br)cc1F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12782732 HEOWDCFYINAHCP-SNVBAGLBSA-N 432.271 1.692 0 40 IDAB Cc1nn(C)c(C)c1NC(=O)Cn1nc(C)c(S(=O)(=O)N(C)Cc2ccco2)c1C 12872438 KHLAMZBHWHJLDF-UHFFFAOYSA-N 434.522 1.903 0 40 IDAB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(C)cc1C 13122950 SNSYWTDXYZISJL-SLFFLAALSA-N 437.445 1.600 0 40 IDAB CCOC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)CC1 13371548 BFXAEPYKEQPDDO-IRXDYDNUSA-N 433.523 1.040 0 40 IDAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccsc2C(=O)OC)c1=O 13533268 UFIUUQIQKYWICH-UHFFFAOYSA-N 437.499 1.748 0 40 IDAB CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)C(=O)O 13630014 NVUYWGPFDXYIHC-HUBLWGQQSA-N 440.547 1.708 0 40 IDAB COc1ccc(-c2nnc(Cn3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)o2)cc1 14350238 YSEPRHBRAXWMMV-UHFFFAOYSA-N 433.490 1.628 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cn2c(=O)cnc3ccccc32)cc1 15098076 XYDDPPAYASYZGP-UHFFFAOYSA-N 428.514 1.743 0 40 IDAB O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19108115 DUPTYKSRZGKPMW-UHFFFAOYSA-N 442.519 1.526 0 40 IDAB CO[C@@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3nn(C)cc3-c3cccnc3)CC2)C1 19290256 WODFPIDSSSRFTD-SJLPKXTDSA-N 447.561 1.520 0 40 IDAB Cc1nc([C@@H]2CCCN2CC(=O)N2CCNC2=O)nc2c1CCC(=O)N2Cc1ccccc1 19741817 WKOZHGRCRRNNDT-IBGZPJMESA-N 448.527 1.953 0 40 IDAB Nc1nc(COC(=O)c2ccc(N3CCOCC3)nc2)nc(Nc2ccc(F)cc2)n1 21592089 ONXMOHPRYNHOBD-UHFFFAOYSA-N 425.424 1.925 0 40 IDAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCc1cccnc1 22249264 BMQJOYYBTTYVFW-UHFFFAOYSA-N 425.894 1.451 0 40 IDAB O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 22327344 DHBZVMRKAJBZDN-UHFFFAOYSA-N 449.508 1.596 0 40 IDAB CCCCN(C(=O)COC(=O)c1ccc(Cn2cncn2)cc1)[C@@H]1CCS(=O)(=O)C1 22613616 PIBBMWYGJBVJHF-GOSISDBHSA-N 434.518 1.299 0 40 IDAB CCOc1cc2c(cc1NC(=O)C1=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC1)O[C@H](C)C2 26886445 HVHWGNUDSKTAPT-TZMCWYRMSA-N 435.502 1.513 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1 31811152 MKMOGZLJTJTUOT-UHFFFAOYSA-N 426.539 1.001 0 40 IDAB CCOC(=O)C1=C(CN2C(=O)c3ccccc3S2(=O)=O)NC(=O)N[C@H]1c1cccs1 32667634 IGNKMLLFRPGHML-INIZCTEOSA-N 447.494 1.764 0 40 IDAB O=C(c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)N1CC[C@H]2CCCC[C@@H]2C1 33028335 PEKWXEMBVPWZPH-KBAYOESNSA-N 440.587 1.804 0 40 IDAB COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(Cl)c1)C(=O)OC 40287128 ACGIWFHPSBPDMT-YOEHRIQHSA-N 438.843 1.964 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCC(C(N)=O)CC2)nc1N 71771945 DTDQUXRJHASRMJ-UHFFFAOYSA-N 425.898 1.255 0 40 IDAB CC(C)n1c([C@H]2CCCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)nc2ccccc21 72314025 ZHNOMWLXBBYEAI-HNNXBMFYSA-N 445.545 1.583 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccc(F)cc1)c(=O)n2CC(=O)N1CCc2ccccc21 72396461 RGBYBVPLAHPWGJ-UHFFFAOYSA-N 446.442 1.718 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96104422 TZTNHTFJSWXDRG-UHFFFAOYSA-N 442.946 1.889 0 40 IDAB CCN1CC[C@]2(CN(CCOC)CC23CCN(S(=O)(=O)c2cccnc2)CC3)C1=O 96262658 XNNNUHGCFIFDRD-NRFANRHFSA-N 436.578 1.053 0 40 IDAB O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 96344131 LWSGDLWQHQFSBU-KRWDZBQOSA-N 447.495 1.989 0 40 IDAB CCOC(=O)c1cccc(NC(=O)CN2C(=O)S[C@H]([C@@H]3SC(=O)NC3=O)C2=O)c1 101375905 DQRAAQANZDULDF-NWDGAFQWSA-N 437.455 1.217 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)n(C)c1=O 206993508 RTCMOMPCKGYBSA-OAHLLOKOSA-N 447.948 1.794 0 40 IDAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(CN4CCOCC4)cc3)ccc21 224589853 WMTUREKIVIGCAR-UHFFFAOYSA-N 433.555 1.911 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1N1C(=O)CCC1=O 225238320 XTZZUNRJFNJHJP-UHFFFAOYSA-N 447.488 1.999 0 40 IDAB COc1cc(CNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc(OC)c1OC 225833072 UDWMCHOYBJNAGH-UHFFFAOYSA-N 438.502 1.803 0 40 IDAB CCc1ccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 408608511 NTGRQHADYSNZHC-UHFFFAOYSA-N 431.558 1.893 0 40 IDAB Cc1cccc(Oc2ccc(S(=O)(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)cc2)c1 544666758 RUENEYNVXQRSCS-INIZCTEOSA-N 439.559 1.981 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ccc(Cl)cn4)C[C@H]3C2)cc1C(N)=O 2298233200 OBXVOVXVEFNTCB-STQMWFEESA-N 436.921 1.599 0 40 IDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 712485 NICMUECLWBKVFD-LJQANCHMSA-N 449.529 1.289 0 40 IDAB Cn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(=O)n(C)c1=O 3245436 NNRLNESMXJMPIY-UHFFFAOYSA-N 449.492 1.340 0 40 IDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)CC1 5060399 JBBVEMGNTSYCRA-OAHLLOKOSA-N 426.535 1.942 0 40 IDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C(N)=O 6135067 FNBLRADOWVNAIT-YESZJQIVSA-N 440.585 1.933 0 40 IDAB COc1ccccc1-n1c(C)cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc12 8710210 QEKWHCSPZCXHOD-UHFFFAOYSA-N 436.516 1.942 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)cc1 8848931 LZDRRGXKTYWULC-UHFFFAOYSA-N 439.403 1.121 0 40 IDAB NC(=O)c1c(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCC2 9584540 WTRZCXOWLOVSEC-LLVKDONJSA-N 431.470 1.459 0 40 IDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc21 9949010 CICYSKBGUYOFLC-UHFFFAOYSA-N 426.517 1.965 0 40 IDAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2nnc3ccccn23)C1=O 9952200 KNCSSRNGMCMQKT-QHCPKHFHSA-N 428.452 1.966 0 40 IDAB COC(=O)c1ccc(NC(=O)COc2coc(CSc3nncn3C)cc2=O)cc1 10220373 MGEWWWUBXHFBLJ-UHFFFAOYSA-N 430.442 1.865 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1 11904611 MOTSNIGQUBYCDA-UHFFFAOYSA-N 438.527 1.591 0 40 IDAB CCn1nc(C)c(NC(=O)CN2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)c1C 12142395 ZJGQQXNZLGTRAX-UHFFFAOYSA-N 432.550 1.654 0 40 IDAB CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 12863808 MXDOVNGTWHYGCZ-CYBMUJFWSA-N 449.597 1.530 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(c4ccccc4)CC3)CC2)cc1 13038848 JBHZJWZUAMAADI-UHFFFAOYSA-N 442.585 1.650 0 40 IDAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 13163796 IIKCPPYDMRWLCS-OAQYLSRUSA-N 435.444 1.385 0 40 IDAB COc1cc(CCC(=O)N2CCC[C@@H](c3cc4nc(N(C)C)ncc4c(=O)[nH]3)C2)on1 19585631 LNDDSLBJCVIIRF-CYBMUJFWSA-N 426.477 1.720 0 40 IDAB CC(C)(C)NC(=O)[C@@H](c1ccco1)N(CCN1CCOCC1)C(=O)C(=O)NC1CCCC1 20150969 FAOUBLZMMBRWLR-LJQANCHMSA-N 448.564 1.455 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)CC1 20719138 YEWPKAFVJPWDOO-UHFFFAOYSA-N 436.530 1.837 0 40 IDAB O=C(NCCCN1CCc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 29520601 QJNAODUHFWNUET-UHFFFAOYSA-N 429.542 1.890 0 40 IDAB CCOc1ccc(OC[C@@H](O)CSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)cc1 32751188 UZEHGMNLJJAIRN-UONOGXRCSA-N 427.548 1.648 0 40 IDAB C[C@@H]1Cc2cc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)ccc2N1S(C)(=O)=O 32810548 WWZVSKRDLYKLME-JLTOFOAXSA-N 443.525 1.893 0 40 IDAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC(C)(C)N1CCOCC1 33026712 OWNOHOKJKUFTBZ-GOSISDBHSA-N 443.635 1.622 0 40 IDAB CS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)ccc2-n2cnnn2)cc1 41098124 VTNMYFKBECEFCB-UHFFFAOYSA-N 436.291 1.758 0 40 IDAB CCOC(=O)N1CCc2nn(CC(=O)NCc3cccc(Br)c3)c(=O)cc2C1 67319077 RGQQRPKYMIVBDS-UHFFFAOYSA-N 449.305 1.837 0 40 IDAB CCN1CCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccc(C)cc2N3)CC1 72327913 VXMOAEAABNWJJD-UZUQRXQVSA-N 427.549 1.412 0 40 IDAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2cncc(O)c2)CC1 72335918 OZHRHWWOZCGNIK-UHFFFAOYSA-N 445.545 1.991 0 40 IDAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccco1 77200671 DOICFYFDVPUMJF-KRWDZBQOSA-N 427.548 1.791 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)CC1 85418993 PUBGQMMCPHQVAW-YWNPBTLJSA-N 441.484 1.282 0 40 IDAB CN(CC(=O)N1CCC[C@H](C(=O)O)C1)C(=O)c1cnn2c(-c3cccs3)ccnc12 95464483 OIVCRTBKTJXMQC-ZDUSSCGKSA-N 427.486 1.853 0 40 IDAB COCCNC(=O)Cn1nc2c(c1NC(=O)/C=C\c1ccc3c(c1)OCO3)CSC2 101367320 RQGSONBWBVBMAS-HYXAFXHYSA-N 430.486 1.773 0 40 IDAB CC1(C)OC(=O)C(=C2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]2[C@@H]6[C@H](C2C(=O)OC(C)(C)OC2=O)[C@H]35)C(=O)O1 104206677 PHADMZAJWXLMAT-XOCXXQMPSA-N 428.437 1.575 0 40 IDAB NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)CC1 225742420 GCBGHSUUXDIHIP-UHFFFAOYSA-N 431.539 1.997 0 40 IDAB C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3ccco3)c3sc(=O)[nH]c3S[C@@H]12 245227620 KZQAKQMIKBMOJN-AQBWZPTBSA-N 446.506 1.976 0 40 IDAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC1)O2 248336766 OYBMJQRZKQOYGH-ZMPRRUGASA-N 448.541 1.403 0 40 IDAB CCOC(=O)[C@@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)[C@@H](O)c1ccncc1 1169734770 GVEGNWPNMDPMHH-SFTDATJTSA-N 427.457 1.369 0 40 IDAB CN(C)C(=O)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)Cc1ccccn1)C2 2056226766 ZJDWTQMEZFRZLQ-XMMPIXPASA-N 430.512 1.846 0 40 IDAB COc1cc(/C=c2\sc3n(c2=O)CN(c2cccc(F)c2)CN=3)cc(OC)c1OC 2260282 ZCSLHMURGSBCHB-NVMNQCDNSA-N 429.473 1.958 0 40 IDAB CCC(=O)N(C(=O)CC)N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1 8448133 DWAYWQFFVKGRAH-UHFFFAOYSA-N 437.566 1.468 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1 9120806 YUCOXWIUEAVSSX-UHFFFAOYSA-N 431.514 1.443 0 40 IDAB CCCCn1c(CN2CCC[C@H](C(N)=O)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 9953489 UZWGNDXWHOTUIF-KRWDZBQOSA-N 438.532 1.432 0 40 IDAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N(C)CCc1ccncc1 11907636 NSLHXDUXGXNYGG-UHFFFAOYSA-N 439.559 1.883 0 40 IDAB Cc1c(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)c(=O)n(-c2ccccc2)n1C 12745527 JTQKMSWBWREBBW-UHFFFAOYSA-N 439.541 1.942 0 40 IDAB CC(C)C[C@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1=O 13063452 FYGCXLPEOKQPRE-IBGZPJMESA-N 444.504 1.585 0 40 IDAB CCCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)C1=O 17271977 RHKOPVSMKVQFIU-CQSZACIVSA-N 448.545 1.469 0 40 IDAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NCc1ccc(Cl)cc1 19346646 DDEIYVRHBOZLBM-OAQYLSRUSA-N 427.892 1.916 0 40 IDAB COc1cc(CCC(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)on1 19585711 ZKUIQXMCKPTTIQ-UHFFFAOYSA-N 426.477 1.720 0 40 IDAB O=C(NCc1ccc(F)cc1)c1ccc(=O)n(CC(=O)N2CCN3CCCC[C@H]3C2)c1 19751576 ITKIJMHOXMGURB-FQEVSTJZSA-N 426.492 1.614 0 40 IDAB CCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3ccccc3OC)CC2)Oc2ccccc21 26112461 YLISTGURKAUQMJ-NRFANRHFSA-N 445.541 1.961 0 40 IDAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 26756922 KYNMGOPJKMISFB-UHFFFAOYSA-N 426.463 1.582 0 40 IDAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1 27914742 PHKVPAAJBHHLGB-UHFFFAOYSA-N 444.513 1.032 0 40 IDAB Cc1oc(C)c(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c1C 32808890 RYGXWFTXYYQREH-OAHLLOKOSA-N 426.516 1.923 0 40 IDAB CCC(CC)CN(CC(=O)OC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 32915650 RASOAVRLHDAOHG-UHFFFAOYSA-N 444.525 1.898 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 36329832 ILHPKJFHJGHIJO-UHFFFAOYSA-N 429.502 1.110 0 40 IDAB O=C(NCc1ccnc(OCc2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 48260596 NDLXCQQZKVLTNW-MOPGFXCFSA-N 443.525 1.312 0 40 IDAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cc(-c2cccnc2)on1 48277118 GXIKHSUSWUODBL-UHFFFAOYSA-N 428.470 1.688 0 40 IDAB O=C(NCc1cccc(OCCN2CCOCC2)c1)N1CCN(c2ncccn2)CC1 60103846 RLFVWAJPDNKSSU-UHFFFAOYSA-N 426.521 1.219 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 95466916 LJILTTRWMGXGNF-AWEZNQCLSA-N 435.424 1.835 0 40 IDAB COC(=O)C[C@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C1CC1 96004352 TVISZDHDZJKRFW-IBGZPJMESA-N 448.545 1.527 0 40 IDAB O=C1C[C@H](N2CCC(NS(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 100209898 IRUPSXQTVYIEDD-IBGZPJMESA-N 431.489 1.901 0 40 IDAB CCCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)CN(C)C)nn3c(O)c2C1 100234718 CMUXLLKAPZVXKN-SFHVURJKSA-N 428.537 1.735 0 40 IDAB [O-][N+]1=Nc2nonc2[N+]([O-])=Nc2nonc2[N+]([O-])=Nc2nonc2[N+]([O-])=Nc2nonc21 100670208 OXACTIMPJXXGAU-UHFFFAOYSA-N 448.192 1.235 0 40 IDAB O=C1CCc2cc(S(=O)(=O)NCCn3cnc4ccsc4c3=O)cc3c2N1CC3 238847970 ITVGHVQSJXICIU-UHFFFAOYSA-N 430.511 1.272 0 40 IDAB COc1ccc(S(=O)(=O)NCC2CCN(C3CCSCC3)CC2)cc1C(N)=O 252487296 HTXVIAWWGQPGDW-UHFFFAOYSA-N 427.592 1.680 0 40 IDAB C[C@H](C(=O)N1CCN2CCCC[C@H]2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 253377501 XGVMVDMYPISSMB-YTZAWJCFSA-N 440.544 1.603 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)N2CCOCC2)cc1 257286999 PNZIDGHSSPANPN-SFHVURJKSA-N 434.518 1.807 0 40 IDAB Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)c4cccc(OCCN)c4)C3)c2n1 257340745 ZHIZWJHLQQKHDJ-XMMPIXPASA-N 435.528 1.989 0 40 IDAB Cn1nccc1C(=O)N1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccc(F)cc1)C2=O 306139024 SNLFWPHRZQCCGA-HYBUGGRVSA-N 449.486 1.992 0 40 IDAB Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c1 511225562 WVTXHLXWCHGBCB-KRWDZBQOSA-N 437.529 1.950 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H](Oc2ncccn2)C1 575613121 PAZHFZDNVCYOCB-QGZVFWFLSA-N 432.502 1.181 0 40 IDAB O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCCc2ccc3c(c2)OCO3)C1 585285633 RFUYHBYMJAJIQC-RBBKRZOGSA-N 432.904 1.839 0 40 IDAB O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(CCn2cncn2)CC1 607043126 XELLSOCISGUOPD-UHFFFAOYSA-N 440.529 1.537 0 40 IDAB Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1C 679782306 IZHZAJDWGHRCHU-KDOFPFPSSA-N 435.477 1.304 0 40 IDAB Cn1ncnc1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)c3ccncc3)C[C@@H]1CO2 1772594748 VSMHUEBBIMGEMY-QGZVFWFLSA-N 433.472 1.035 0 40 IDAB COc1cccc(N2C[C@H](C(=O)N3CC(n4nc(-c5ccncc5)ccc4=O)C3)CC2=O)c1 1775974616 XTZIZJASORUVBD-QGZVFWFLSA-N 445.479 1.750 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4403059 XVGNADCCCZEHRJ-XIYVOTBMSA-N 438.429 1.457 0 40 IDAB COC(=O)C1CCN(CC2(O)CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 8782134 VGNIAECTPVGFQA-UHFFFAOYSA-N 430.954 1.741 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 8954859 UHCGUYBANICVEC-UHFFFAOYSA-N 432.527 1.652 0 40 IDAB CCOc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)OC)c(=O)n2C)cc1 9156995 ICRJCTROUDGYPM-CYBMUJFWSA-N 427.461 1.256 0 40 IDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 9764360 CTIULSATIKDVLJ-KRWDZBQOSA-N 430.486 1.039 0 40 IDAB COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4cccc(OC)c4)c(C)c(C)n23)n(C)c1=O 9829478 JBRFTNVHVHKQNW-CYBMUJFWSA-N 425.445 1.498 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(C)c(C)n23)n(C)c1=O 10271895 UMWVIDGTEZJUPS-UHFFFAOYSA-N 429.864 1.890 0 40 IDAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2CCN(CC(N)=O)CC2)c1 10657407 FCGNAZYBWWXOQX-UHFFFAOYSA-N 446.529 1.176 0 40 IDAB Cc1cc(N2CCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)nc(C(C)C)n1 11077518 HCUPCGUWGVUTSP-UHFFFAOYSA-N 425.489 1.716 0 40 IDAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)CC[C@H]2CCCO2)CC1 12230036 QYWUUNKFVCABIY-GOSISDBHSA-N 445.545 1.639 0 40 IDAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 12924188 KPMKIRUJDCHDEL-UHFFFAOYSA-N 436.490 1.023 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 13002648 ZFNAEJBTBZQLIL-SFHVURJKSA-N 444.513 1.347 0 40 IDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O 13114216 TVSNREYLZCCQDM-CYBMUJFWSA-N 440.481 1.845 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 16026189 NOQMWPSDBROJAC-DOGKRZLPSA-N 432.480 1.099 0 40 IDAB biogenic C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)N[C@@H]2CCCOC2)[C@H]1C(=O)NCc1ccncc1 19576104 QNGGNGOORZCHDL-XQEONZBOSA-N 436.512 1.710 0 40 IDAB CN(Cc1nc(N2CCCC2)ncc1-c1ccccn1)C(=O)C[C@H]1CCS(=O)(=O)C1 19586328 LTDZCXIRVLABDR-MRXNPFEDSA-N 429.546 1.922 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccccc2)cc1 19943720 BNTHKNBFJYIDJR-UHFFFAOYSA-N 433.530 1.339 0 40 IDAB COc1cc2c(cc1OC)-c1cc(NCCN3CCN(C(C)=O)CC3)nc(=O)n1CC2 20394083 OHISXYVXDAWNRI-UHFFFAOYSA-N 427.505 1.060 0 40 IDAB CN1[C@@H](CCC(=O)N2CCCC2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1nc2ccccc2n1C 22920882 JWQPKUNTTXYKGJ-WGGBDISSSA-N 438.576 1.349 0 40 IDAB biogenic,in-vitro CCCc1ccc(S(=O)(=O)N2CCN(CN3C(=O)c4cccc(N)c4C3=O)CC2)cc1 23990256 ZITGYCRFKOXPML-UHFFFAOYSA-N 442.541 1.781 0 40 IDAB C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 25063130 KTIUHVUBERCLPZ-GDBMZVCRSA-N 431.514 1.552 0 40 IDAB Cc1ccc([C@](O)(CCNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C(F)(F)F)o1 32788719 WGYJVSICZJFLIV-LJQANCHMSA-N 439.390 1.938 0 40 IDAB O=C(Nc1sc2c(c1C(=O)OCC(=O)N1CCNC1=O)CCCC2)c1cccnc1 40150415 GUNVPTIXRSVUOV-UHFFFAOYSA-N 428.470 1.983 0 40 IDAB O=C(c1ccc(CS(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2F)CC1 44900908 GJMHRJSMXORGTR-UHFFFAOYSA-N 447.532 1.950 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@H]1CN(Cc2ccccc2)CCO1 58055699 JIODJSMTHTYTTH-RTWAWAEBSA-N 432.590 1.850 0 40 IDAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1C(=O)N1CCCC1 58129429 AMHJISQJCSMRSW-HZPDHXFCSA-N 433.530 1.205 0 40 IDAB CO[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)c1ccccc1 72273424 LLLUDWHSBIXTSX-HXUWFJFHSA-N 445.497 1.238 0 40 IDAB O=C1NC(=O)[C@]2(CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)C2)N1 72290898 WBFPLCBVKNLGCL-WZONZLPQSA-N 436.468 1.335 0 40 IDAB C[C@H](C(=O)NCCc1cccc(F)c1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326357 TZVKNJOBMWVVHU-CMJOXMDJSA-N 439.491 1.832 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1 101076238 JLHUOQDKLINKKG-FBIZOPLVSA-N 437.562 1.846 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223333710 ADLWPJFWGGSGIR-HNNXBMFYSA-N 449.529 1.865 0 40 IDAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCCSc1ncn[nH]1 225997098 CLENTUIDKDLUMQ-UHFFFAOYSA-N 445.570 1.947 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 253373288 IIIQUNQPOFNJMI-YGKZAACZSA-N 427.549 1.540 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(C(=O)C1CCC1)C2 1549174772 QMBGREQFGSJYGP-HXUWFJFHSA-N 425.529 1.874 0 40 IDAB COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)C(C)C)CC3)sc(=O)c2c1OC 1565525066 ZVBFDZAFALIWIO-UHFFFAOYSA-N 440.543 1.775 0 40 IDAB Cn1c(=O)c2ncn(CC(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)c2n(C)c1=O 679446 IJHJXBGXJDRFHL-UHFFFAOYSA-N 438.488 1.135 0 40 IDAB Cc1ccccc1NC(=O)[C@@H](C)NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 2126659 SOJAAJNZOAFWND-VLAJGBEZSA-N 434.489 1.835 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NC(=O)[C@H]2COc3ccccc3O2)cc1 3302366 WIOLZCJVXTXCJL-GOSISDBHSA-N 447.465 1.185 0 40 IDAB Cn1nc(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2ccccc2c1=O 3557286 QAPVZNXJIOCSII-LFIBNONCSA-N 438.509 1.692 0 40 IDAB Nc1nc(COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nc(Nc2ccccc2)n1 9127170 UMFVXURILMCQTL-UHFFFAOYSA-N 434.865 1.855 0 40 IDAB CCn1cc(C(=O)N[C@@H](CCSC)C(=O)N(C)CCO)c(=O)c2cc3c(cc21)OCO3 9418705 HYEZHXYDYJQCJH-HNNXBMFYSA-N 449.529 1.052 0 40 IDAB COc1ccc(CN(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)C2CC2)cc1 9783831 ZTCZNCHEURQUGQ-UHFFFAOYSA-N 431.880 1.287 0 40 IDAB CCc1cccc(OC[C@@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385245 AVURKLXJPPRVKU-KRWDZBQOSA-N 441.532 1.806 0 40 IDAB NC(=O)Cn1c(CSc2nnc(NC[C@H]3CCCO3)s2)nc2ccccc2c1=O 13163636 BTSCSOWIHFRGJY-LLVKDONJSA-N 432.531 1.617 0 40 IDAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccccc2)CC1 13522019 DZIGEFQDFLFRHO-UHFFFAOYSA-N 445.585 1.852 0 40 IDAB Cc1ccccc1[C@H]1N=C(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)N=C(N)N1 13578934 DIUGBKVPJIODAJ-MRXNPFEDSA-N 432.531 1.287 0 40 IDAB O=C(CCNC(=O)c1ccccc1)NCc1ccccc1S(=O)(=O)N1CCOCC1 14246425 VQFXCENUCVSREC-UHFFFAOYSA-N 431.514 1.144 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 14906955 QRLBDCNNRKGSOU-AWEZNQCLSA-N 445.497 1.700 0 40 IDAB Nc1c(C(=O)[C@@H]2CCCN2C(=O)COCCN2CCCC2=O)cnn1-c1ccc(F)cc1 19337096 DANVUZLWDHOKDO-SFHVURJKSA-N 443.479 1.406 0 40 IDAB CCN(CC)c1ncc2c(=O)[nH]c(C3CCN(C(=O)Cn4cccnc4=O)CC3)cc2n1 19526531 KBGLYRUSXWCDAZ-UHFFFAOYSA-N 437.504 1.127 0 40 IDAB COCCn1nnnc1[C@H](c1ccc(OC)cc1OC)N1CCN(C2CCCC2)CC1 19593999 XEESOSPONBJQFR-NRFANRHFSA-N 430.553 1.986 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1 19631973 UYGPYBMAUKZDEH-UHFFFAOYSA-N 440.543 1.707 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN3C(=O)Cc3ccccn3)nc2n(C)c1=O 19743635 URTUVAIBQBMWIK-HNNXBMFYSA-N 447.417 1.952 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc1 19924128 VQVXDMWPSKIOKJ-UHFFFAOYSA-N 429.506 1.628 0 40 IDAB CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 24609703 VTEKZRYNDDHASK-UHFFFAOYSA-N 441.525 1.668 0 40 IDAB CCN(CC)C(=O)COc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1Cl 25123723 IAQZVGZQHKAOSI-UHFFFAOYSA-N 446.957 1.441 0 40 IDAB COc1ccc(CCC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 32818419 CUJWMSRVGWPECQ-IAGOWNOFSA-N 425.551 1.126 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1nnc2n1CCC2 32873616 TUEBFLXONLIVHL-UHFFFAOYSA-N 433.534 1.728 0 40 IDAB Cc1cc(=O)c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)nn1-c1ccccc1F 35325951 PDPUKARFKXJJJC-UHFFFAOYSA-N 427.480 1.060 0 40 IDAB O=C(/C=C/c1ccccc1)N1CCN(c2nc(N3CCOCC3)nc(-n3ccnc3)n2)CC1 36705747 VQVVRUUDTRRFMJ-VOTSOKGWSA-N 446.515 1.256 0 40 IDAB O=C(Nc1cccnc1N1CCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 48301262 YHMODRBQZDSXFU-UHFFFAOYSA-N 436.582 1.952 0 40 IDAB CN(CC(=O)Nc1nnc(SCC(=O)Nc2ccccc2F)s1)S(C)(=O)=O 48984822 OBDGWPOIWMNEPS-UHFFFAOYSA-N 433.512 1.238 0 40 IDAB Cc1ccc([C@H](CN2CCOCC2)NCc2nc3ccccc3c(=O)n2CC(N)=O)cc1 49592410 PDYIOYVYHGODSI-NRFANRHFSA-N 435.528 1.353 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204921 ZMKFCUJGUJAMPB-HXUWFJFHSA-N 425.464 1.824 0 40 IDAB CC(C)[C@@H](C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCC1 72294133 IYKTYJTWAYQXGL-FQEVSTJZSA-N 440.562 1.750 0 40 IDAB CCCCNC(=O)Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21 72331995 WFWGAMSNVWGBHQ-UHFFFAOYSA-N 440.500 1.885 0 40 IDAB CCOC[C@H](C(=O)OC)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 84801147 GDTMFZZBEQNUOV-GOSISDBHSA-N 426.535 1.432 0 40 IDAB Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1C 95433554 ZBTZDVHTJYAVAY-UHFFFAOYSA-N 433.505 1.617 0 40 IDAB O=C(NC[C@H]1CCCO1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 96243807 GAOMFXMGXQWKBP-MSOLQXFVSA-N 431.537 1.520 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 101174291 VTCXGOMCZWQORZ-QZTJIDSGSA-N 439.403 1.934 0 40 IDAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N1CCC(C(N)=O)CC1)NC2=O 247984388 YNNMRPAXTRVSRH-QSTYWVLUSA-N 427.501 1.674 0 40 IDAB CC(C)S(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)[C@H]3CCCO3)nc2C1 249698772 WJNURIZCJYJLMI-DLBZAZTESA-N 438.550 1.511 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)/C=C/c2ccccc2)CC1 252489186 JJJLJHFTHHGGMR-XNTDXEJSSA-N 438.575 1.734 0 40 IDAB Cc1cnccc1-c1c[nH]nc1[C@H]1CC[C@H](CNC(=O)c2cc(=O)n(C)c(=O)n2C)CC1 257225964 FIPPREXIMQHYHF-WKILWMFISA-N 436.516 1.881 0 40 IDAB CC(C)CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)Cc1ccc(F)cn1)C2 585101562 MNZWUZOOQGTARF-QFIPXVFZSA-N 428.512 1.473 0 40 IDAB CN1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)c3ccn(C)n3)CC2)CC1 585269014 HNMCGSVCHBJUNL-UHFFFAOYSA-N 439.560 1.886 0 40 IDAB COc1cc(CN(C)C[C@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OCCN(C)C 585270629 AKBZUBILDSJUIO-HSZRJFAPSA-N 429.565 1.807 0 40 IDAB CCc1c(C(=O)N(C)[C@H](c2ccccc2)c2nc[nH]n2)cnc2c1c(=O)n(C)c(=O)n2C 1570180192 FXDSVDWXEJWRQI-QGZVFWFLSA-N 433.472 1.174 0 40 IDAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCCn1nc(C(F)(F)F)ccc1=O 1888856720 FZVFPKGMAMLBCI-SNVBAGLBSA-N 441.435 1.161 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5ccc(F)cc5C)C[C@H]4C3)nn12 1888930458 ASHPRIRZSRFAEH-GASCZTMLSA-N 430.509 1.891 0 40 IDAB C[C@]1(C(=O)N2CCC3(CC2)O[C@H](C(=O)N2CCOCC2)Cn2ccnc23)CC=CCC1 2055793469 IPDRULHDIOMMRW-AVRDEDQJSA-N 428.533 1.705 0 40 IDAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 8848912 MLTYAVDUGSECOW-UHFFFAOYSA-N 425.376 1.063 0 40 IDAB O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 9120497 GSWAFQCQRXZSQB-UHFFFAOYSA-N 440.861 1.919 0 40 IDAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1cccnc1 9340660 SMPUMPNHWWGGBT-SFHVURJKSA-N 430.530 1.305 0 40 IDAB COc1ccc(C(=O)NC(=S)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 9373451 HRCGYOMMRJMLOD-UHFFFAOYSA-N 435.527 1.843 0 40 IDAB O=C(O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1Cl 9467724 HKQCDBDOSXWIOL-UHFFFAOYSA-N 444.918 1.733 0 40 IDAB Cc1cc(C)cc(-n2nnc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)cnc32)c1 9517827 GMCXYIXJVBXVSN-UHFFFAOYSA-N 432.440 1.639 0 40 IDAB COc1ccc(C(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2Cl)cc1 12080718 GRRQWZPPMPVJEY-GOSISDBHSA-N 431.876 1.580 0 40 IDAB CCN(C(=O)CSc1nnc(C2CC2)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12686361 LEJOKFJYMHJHTE-UHFFFAOYSA-N 442.501 1.573 0 40 IDAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12768530 FNCICWNERAGUGZ-KRWDZBQOSA-N 431.514 1.834 0 40 IDAB CC(C)CN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13011817 KXGQOXAOFRSRFC-XCLFUZPHSA-N 437.566 1.218 0 40 IDAB Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 13137766 XMFUPDIHVZIIPZ-UHFFFAOYSA-N 432.498 1.820 0 40 IDAB COc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1S(=O)(=O)NC1CC1 13163446 HYPOBCCXIKQPKC-UHFFFAOYSA-N 432.498 1.880 0 40 IDAB Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 20674089 ILTPMAWMXNGBNW-GFCCVEGCSA-N 447.293 1.722 0 40 IDAB C[C@@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 22228317 QWLZGMRASDOIQK-QGZVFWFLSA-N 445.541 1.244 0 40 IDAB CN1CCN(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 22829459 SHNVJEXXVSPABG-UHFFFAOYSA-N 448.564 1.775 0 40 IDAB CNC(=O)c1nn(CN2CCN(Cc3cc(C)ccc3OC)CC2)c(=O)c2ccccc12 22932773 BYBQSBIVDGODCG-UHFFFAOYSA-N 435.528 1.848 0 40 IDAB Cc1cnc2c(S(=O)(=O)NCCCN3CCN(c4ncccn4)CC3)cccc2c1 30004369 JJOSVOLGRSMNHP-UHFFFAOYSA-N 426.546 1.824 0 40 IDAB O=C(c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCC2(CC1)OCCO2 33325391 MTNHEGKBAGPGNG-CQSZACIVSA-N 437.543 1.950 0 40 IDAB CC(C)C(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCN(CC(=O)N(C)C)CC3)c[nH]c2c1 36356836 CRFYOIGLJDQRNL-FQEVSTJZSA-N 429.521 1.594 0 40 IDAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccc2)CC1)c1ccccc1Cl 49597226 GQIOMZKYONIKIM-CLAROIROSA-N 445.947 1.381 0 40 IDAB biogenic,in-vitro CC(=O)N(CCC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1)Cc1ccccc1 89930356 ASANXOVLYAYFQM-FQEVSTJZSA-N 435.532 1.896 0 40 IDAB CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1C 95349232 BDBPFCIAPAHOKS-KRWDZBQOSA-N 446.591 1.301 0 40 IDAB CCN1C[C@H]2C3(CCN(S(=O)(=O)c4cccc(OC)c4)CC3)CC[C@@]2(C(=O)NC)C1 96143865 CMFIWQXSDXLRNB-SIKLNZKXSA-N 435.590 1.944 0 40 IDAB CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCCc4cccc(F)c4)cn23)C1 96267679 SSFMHVNHXFJLLH-OAHLLOKOSA-N 431.493 1.590 0 40 IDAB COCCNS(=O)(=O)c1ccc(C(=O)NC2CCC(O)(c3cccnc3)CC2)cc1 97095891 AGFGAFWNKCMSLE-UHFFFAOYSA-N 433.530 1.567 0 40 IDAB COc1ccc(CN2C(=O)C[C@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1 101716039 SUGIJCLEYOLNNH-IBGZPJMESA-N 428.533 1.129 0 40 IDAB CN(C)CCOc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc4nccn34)C2)cc1 257230414 GCFFXPUDVOTGGO-DEOSSOPVSA-N 437.544 1.988 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNC2(c3ccccc3)CCOCC2)C1 585291187 LJVDFPCBFCAPHM-IRLDBZIGSA-N 432.542 1.078 0 40 IDAB COc1ccc(NC(=O)N2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2CN(C)CCN23)cc1 1772595215 CRYKVAMQYGZOBV-HXUWFJFHSA-N 427.549 1.887 0 40 IDAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 3531276 IYWGOCURALJNJM-OAHLLOKOSA-N 432.527 1.982 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 8476153 UYZFMCYFKQXVGI-UHFFFAOYSA-N 425.507 1.394 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)CC1 9418939 PUBGQMMCPHQVAW-GKAYAJSDSA-N 441.484 1.282 0 40 IDAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc3c(c2)OCO3)c2c(n(C)c(=O)n(C)c2=O)N1 9489374 SVPZMCQZXRBYAB-QGZVFWFLSA-N 427.457 1.843 0 40 IDAB CCOC(=O)N1CCN(C(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)CC1 9670434 TYIYMDHBUNKNMT-UHFFFAOYSA-N 426.491 1.003 0 40 IDAB O=C(CSc1ccccn1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 10555112 BDESCMMMUZTDBS-UHFFFAOYSA-N 435.527 1.478 0 40 IDAB COc1cccc(N2C[C@@H](NC(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)CC2=O)c1 12180155 SUSRLXYJSCDXEF-HNNXBMFYSA-N 446.485 1.447 0 40 IDAB C[C@H]1CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C[C@@H](C)O1 12562407 FYIMWSZNJAFECY-BETUJISGSA-N 447.351 1.719 0 40 IDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1cc(=O)n2cc(Br)ccc2n1 12565382 HOMGKHYGVFEQLI-ZIAGYGMSSA-N 448.273 1.675 0 40 IDAB COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1 13030353 QNLYIWMLYNBLES-UHFFFAOYSA-N 425.457 1.918 0 40 IDAB CCC[C@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O 13097784 NZTJQLURZWFDJF-OAHLLOKOSA-N 448.467 1.690 0 40 IDAB C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 16970762 DYVKEUJHAHTUEI-YOEHRIQHSA-N 437.518 1.166 0 40 IDAB O=C(Cn1cccnc1=O)N[C@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 19403634 YDHMVDDOMPEMST-GOSISDBHSA-N 438.463 1.166 0 40 IDAB CNC(=O)c1ccc([C@H]2CCCN2C(=O)c2cc(S(=O)(=O)NC)ccc2F)nc1C 19711228 TVWNEQOXQPWOQZ-GOSISDBHSA-N 434.493 1.774 0 40 IDAB CCN(CC)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N 20793022 JLXXHHZDHHLDAV-UHFFFAOYSA-N 440.595 1.650 0 40 IDAB Cc1cccc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1C 22383322 PAOYEILUCHECKF-UHFFFAOYSA-N 439.559 1.958 0 40 IDAB COc1ccc(CCNC(=O)CSc2nnc(-c3cccn(C)c3=O)n2C)cc1OC 23136230 CKBINQGCYXWOIY-UHFFFAOYSA-N 443.529 1.649 0 40 IDAB CNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)s1 23141743 QNMAADKAVIFREH-UHFFFAOYSA-N 437.547 1.356 0 40 IDAB Cn1c(=O)c2cc(C(=O)N3CCCN(Cc4ccc(Cl)cc4)CC3)cnc2n(C)c1=O 23182776 XLOAFFWFZDFQGC-UHFFFAOYSA-N 441.919 1.634 0 40 IDAB C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 23249306 HTAPJCQELODOCX-UZLBHIALSA-N 432.546 1.324 0 40 IDAB CCn1c(SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)nnc1-c1ccco1 35351301 QZIVVZJYFCCCEK-UHFFFAOYSA-N 432.550 1.417 0 40 IDAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)Oc2ccccc21 38831810 IRSWWRWCOYGSIH-NRFANRHFSA-N 445.541 1.362 0 40 IDAB COc1cc(NC(=O)C(=O)NCCc2ccc(O)cc2)ccc1N1CCCCS1(=O)=O 40284772 RWSBFIXVXIKYTC-UHFFFAOYSA-N 447.513 1.628 0 40 IDAB CCOC(=O)C1CCN(C(=O)Cn2c(=O)n(CCCOC)c(=O)c3ccccc32)CC1 44841107 RLVGQVKORQBBQG-UHFFFAOYSA-N 431.489 1.001 0 40 IDAB CN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1nccn1CC(F)(F)F 58297643 ABJNRVWLIRNSMB-UHFFFAOYSA-N 431.440 1.114 0 40 IDAB CC(C)(C)OC(=O)N1CCN(c2nc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)n[nH]2)CC1 95405849 IZZBRCFFPNNIIS-CQSZACIVSA-N 441.492 1.926 0 40 IDAB O=C(CCNS(=O)(=O)c1cccc(F)c1)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 206692047 UHTJBNAFCVMRKN-KRWDZBQOSA-N 444.506 1.303 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1 224198898 ROEGOBJUVCTIIZ-UHFFFAOYSA-N 447.557 1.578 0 40 IDAB O=C(CCNC(=O)c1cncc(O)c1)NCC[C@@]12CCCC[C@@H]1c1c(O)nc(O)nc1O2 257243307 IGHXFCGWFNKWLO-SZNDQCEHSA-N 443.460 1.104 0 40 IDAB CCn1c(N2C[C@@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@H]3C2)nc2ccccc21 1888899171 RHNFDZRPIHDPLS-ROUUACIJSA-N 445.589 1.622 0 40 IDAB COc1ccc(F)c(CN2CCO[C@]3(CO[C@H](C(=O)NCc4ncc(C)cn4)C3)C2)c1 2056226586 VLHJZDYPGCVLEW-UGKGYDQZSA-N 430.480 1.609 0 40 IDAB NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](CSCC(F)(F)F)NS2(=O)=O 2039262 RINBGYCKMGDWPY-VIFPVBQESA-N 425.863 1.313 0 40 IDAB in-man COc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1S(=O)(=O)N1CCOCC1 3334333 MWUNODOHYHLGDB-UHFFFAOYSA-N 431.470 1.315 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)C(C)C)cc1 8942676 XAQRTJZDLSURRZ-MDZRGWNJSA-N 426.535 1.477 0 40 IDAB COc1ccc(C(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)cc1OC 9001212 KBDIQKPGUGLCCG-UHFFFAOYSA-N 432.436 1.902 0 40 IDAB Cc1csc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)c1 12232173 CQDKEDWHYPLWTN-UHFFFAOYSA-N 431.543 1.999 0 40 IDAB CC(=O)N[C@@H]1[C@@H](Oc2cccc(C)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 12406245 LERJREBRRWXADA-AFDCHOCNSA-N 437.445 1.030 0 40 IDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 12808327 ZKWXCSPFXQWQKO-GOSISDBHSA-N 431.514 1.822 0 40 IDAB CCCCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 12952808 DSIOYXPFZFQZTD-UHFFFAOYSA-N 444.985 1.021 0 40 IDAB CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)NCCO)c(=O)n3Cc2ccccc2)CO1 13610105 LEVCOBMWHVJNKX-UHFFFAOYSA-N 443.525 1.233 0 40 IDAB O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]1c1nnc2ccccn12 14190009 NWAIROYLRBJXIB-GOSISDBHSA-N 441.513 1.728 0 40 IDAB COc1cccc([C@]2(O)CC[C@@H]3CN(S(=O)(=O)c4ccc5[nH]c(=O)[nH]c5c4)C[C@@H]32)c1 19564981 UBMFFRWZCDTBDI-GQNMWPQZSA-N 429.498 1.783 0 40 IDAB Cc1cnc(C(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)cn1 19702714 DMTFKNNFWHEBOV-HNNXBMFYSA-N 427.486 1.331 0 40 IDAB Cc1ccc(CNC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nn(C)cc32)cc1 21713860 QMBOBPJOLBOZGK-UHFFFAOYSA-N 435.459 1.709 0 40 IDAB O=C1CCc2cc(OCC(=O)N3CCN(c4nnnn4-c4ccccc4)CC3)ccc2N1 24778426 BMDCCYNXXKHJNV-UHFFFAOYSA-N 433.472 1.275 0 40 IDAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1OC 26786645 IYKGAKQMFKYNDN-UHFFFAOYSA-N 433.530 1.821 0 40 IDAB CCOc1ccc(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1F 27914938 LFHTUVRDHDBVGQ-UHFFFAOYSA-N 435.477 1.918 0 40 IDAB O=C(Cn1nc2c(N3CCSCC3)nc3ccccc3n2c1=O)NCc1ccccc1 35425887 FOWUVHKJQKNUPN-UHFFFAOYSA-N 434.525 1.914 0 40 IDAB COc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC 36021677 OLOFNHUGRWJZMI-UHFFFAOYSA-N 439.559 1.388 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C(N)=O)cc(F)c2C)cc1OC 48353746 FQNRJLQHPNMPIW-UHFFFAOYSA-N 439.465 1.557 0 40 IDAB COCCNC(=O)COc1coc(CN2CCN(c3ccccc3OC)CC2)cc1=O 56949934 HJUCJIQWNDIHDL-UHFFFAOYSA-N 431.489 1.112 0 40 IDAB Cc1ccc(Br)cc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 59308978 NXQDLEJCEBPHAY-LBPRGKRZSA-N 428.308 1.862 0 40 IDAB COc1ccc(Br)cc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 59828617 XOYWRGULBAXCNM-NSHDSACASA-N 444.307 1.562 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@](C)(O)c3ccc(F)cc3F)C2=O)cc1 72285036 IYXUVHXMHFKKKJ-YADHBBJMSA-N 447.438 1.764 0 40 IDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 84405650 SSYYPEMPGBAZTI-GASCZTMLSA-N 446.510 1.834 0 40 IDAB O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCC2)N(C2CC2)C(=O)[C@H]13 100431335 PEQRRQDTRSBGEN-OAIJQJBHSA-N 435.524 1.675 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)s1 225811851 OCTLSYODAMBWRQ-LBPRGKRZSA-N 430.533 1.374 0 40 IDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257221166 DNUASSZZFLRKBO-WMZOPIPTSA-N 448.472 1.401 0 40 IDAB CNC(=O)c1cccc([C@H]2CN(CC(=O)NCCc3nc4ccccc4[nH]3)CCN2C)c1 257227205 FOCGHGDYVXFGNN-OAQYLSRUSA-N 434.544 1.570 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)CC1 585284351 XBPVXFKBHCAWON-RXVVDRJESA-N 442.940 1.500 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888914172 KFRKZGOQOFPRCX-LLVKDONJSA-N 446.411 1.838 0 40 IDAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NC(=O)[C@@H]2COc3ccccc3O2)cc1 3302368 WIOLZCJVXTXCJL-SFHVURJKSA-N 447.465 1.185 0 40 IDAB CC(C)(C)c1ccnc(N[C@H]2CO[C@@H]3[C@@H](NS(=O)(=O)Cc4ccccc4)CO[C@H]23)n1 5438472 NUPNPMCNSNCMFF-RNIPGJKVSA-N 432.546 1.840 0 40 IDAB biogenic,in-vitro C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc2)C[C@@H](C)O1 8849462 FLJSZZVMVHHJJZ-TXEJJXNPSA-N 439.515 1.820 0 40 IDAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc2)C[C@@H](C)O1 8849467 FLJSZZVMVHHJJZ-VXGBXAGGSA-N 439.515 1.820 0 40 IDAB COc1ccc(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1OC 9561447 LHCCBVWVXZZTLJ-UHFFFAOYSA-N 426.473 1.983 0 40 IDAB COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(C)[nH]n3)c2=O)cc1OC 9599426 ANMQQCKMIHUSSB-UHFFFAOYSA-N 435.440 1.840 0 40 IDAB CCCCN(C(=O)CSc1nnnn1-c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 10886167 SVOIMOVROMNQGK-CQSZACIVSA-N 439.563 1.579 0 40 IDAB COc1ccccc1CCNC(=O)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1 12080702 XJUFXGSLAXAEOT-IBGZPJMESA-N 445.903 1.622 0 40 IDAB Cc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 12422806 JYQGPPLLZRFKMJ-UHFFFAOYSA-N 431.558 1.638 0 40 IDAB CC[C@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccc(OC)cc1)C(=O)O 12531193 BIJVTWLWOMNVAH-AWEZNQCLSA-N 432.502 1.640 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)CC2=O)c1 13022430 SVZZGCUFYYPJJN-INIZCTEOSA-N 431.514 1.451 0 40 IDAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 13108313 SOVUSQJSJHIYNN-UHFFFAOYSA-N 444.532 1.972 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccc(OC)cc1 20636939 AHZGAOYLXUFXBJ-SJORKVTESA-N 432.477 1.176 0 40 IDAB C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)N[C@@H]1CCS(=O)(=O)C1 21669695 SBMXHJUKBKKZGJ-YWPYICTPSA-N 438.531 1.112 0 40 IDAB O=C(NCCc1ccccc1)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 22228348 CJYZLZXSTOGLQQ-UHFFFAOYSA-N 443.569 1.879 0 40 IDAB O=C(CN1CCN(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1)N1CCCCCC1 22790122 CJDJHHUHEBBAHZ-HXUWFJFHSA-N 427.549 1.127 0 40 IDAB CN1CCN([C@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc3c(c2)OCO3)CC1 22797257 ICOAOIUDBLOQDC-HXUWFJFHSA-N 438.528 1.179 0 40 IDAB CSCC[C@H](NC(=O)C1CC1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 30672947 SYDLHICQTRSXBH-SFHVURJKSA-N 436.553 1.556 0 40 IDAB CNS(=O)(=O)c1cc(/C=C/C(=O)N(C)C[C@@H]2COc3ccccc3O2)ccc1OC 33024111 VNXFMUKDZZBPMA-PXUDHTSWSA-N 432.498 1.915 0 40 IDAB CC(C)C(=O)Nc1ccc2c([C@H](C(=O)O)N3CCN(CC(=O)N(C)C)CC3)c[nH]c2c1 36356837 CRFYOIGLJDQRNL-HXUWFJFHSA-N 429.521 1.594 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccc(Cl)c3)CC2)C[C@@H](C)O1 40081103 QGWNPAZWMHSCLP-MHJFZZRGSA-N 427.954 1.851 0 40 IDAB NC(=O)c1ccc(OCC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 48312479 AYKYTLLPUHNESV-UHFFFAOYSA-N 427.486 1.620 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 56936154 QMUPZALMXIOPTP-KRWDZBQOSA-N 442.545 1.698 0 40 IDAB CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1 57428171 XDSQHHWCSGULGO-KRWDZBQOSA-N 443.525 1.967 0 40 IDAB NC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1Cc1ccc(Br)cc1 69951973 FETFHNDXAGPWCY-UHFFFAOYSA-N 434.275 1.628 0 40 IDAB COc1cccc(CNC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 72326337 SWPJKAFHPFTYSH-CMJOXMDJSA-N 437.500 1.659 0 40 IDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)CCN[C@H]3C=CS(=O)(=O)C3)C2)C1 72334221 NTNGPNBIOSLLTB-UGKGYDQZSA-N 447.557 1.079 0 40 IDAB CCOC(=O)C1CCN(c2nc(C)cc(=O)n2CC(=O)NCc2cccc(OC)c2)CC1 90610192 WCSPMJLUHFDKAI-UHFFFAOYSA-N 442.516 1.656 0 40 IDAB CCS(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)C1 100234670 SAGXNWCEFYMRHN-CQSZACIVSA-N 433.534 1.259 0 40 IDAB O=C1C[C@H](n2nnn(-c3ccc(I)cc3)c2=S)[C@H]2CO[C@H]1O2 103004468 LCVSILRPOGQDCS-WCQGTBRESA-N 430.227 1.658 0 40 IDAB CCOC(=O)[C@]1(Cc2ccc(O)cc2)N[C@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@H]21 245229650 CLJUXOSYNIMXSO-PABYOWBDSA-N 426.444 1.951 0 40 IDAB Cc1cccc(N2C(=O)[C@@H]3[C@H](C(=O)NC4CC4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCC2)c1 245230576 URIUFZZOHPBRSB-BHQAQYLNSA-N 435.524 1.987 0 40 IDAB CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccc(Cn4ccnc4)c3)C2)ncn1 257315123 UZZNNDHDYUAENR-HSZRJFAPSA-N 435.532 1.867 0 40 IDAB Cc1cc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1 2618307 SJTOEQHWKVGAFO-UHFFFAOYSA-N 427.482 1.706 0 40 IDAB CCCc1nc(SCC(=O)NCCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 9382348 TUPOYCBPOSRFHN-UHFFFAOYSA-N 427.530 1.431 0 40 IDAB COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1OC 9476902 CGDJHSUTSRVQPQ-NRFANRHFSA-N 426.469 1.757 0 40 IDAB Cc1ccccc1CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 9577630 LBJLYVDFAWYZPT-MRXNPFEDSA-N 437.543 1.226 0 40 IDAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O 9644960 IDXHJOCDUIVTQX-HSZRJFAPSA-N 434.500 1.081 0 40 IDAB COc1ccccc1-c1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)n1C 9713615 OPCXIGBNPHAAOG-UHFFFAOYSA-N 428.474 1.233 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N[C@H](C)C(=O)OC)C(C)C)c1 9956132 VGJXLRKMQSIIIR-PBHICJAKSA-N 441.550 1.149 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(NS(C)(=O)=O)c3)CC2)cc1 10112114 UTIYXSCFGBWKDT-UHFFFAOYSA-N 437.543 1.513 0 40 IDAB COc1ccc(Cn2nnnc2SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)cc1 10213391 HDESWZWINIWSLX-UHFFFAOYSA-N 441.473 1.907 0 40 IDAB Cc1ccnc(SCCCn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248818 IDSLUTTZBJWQAJ-CYBMUJFWSA-N 429.550 1.940 0 40 IDAB CC(C)CN1CCO[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 12806073 YNRQHCAKLYUSDS-SFHVURJKSA-N 441.569 1.699 0 40 IDAB COC(=O)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 13000595 JYNZYRJKBYSZLN-UHFFFAOYSA-N 448.497 1.571 0 40 IDAB COc1ccc(-c2cc(C(=O)NC3CCCC3)n[nH]2)cc1S(=O)(=O)N1CCOCC1 15860849 LEBCUGAQNNFXPA-UHFFFAOYSA-N 434.518 1.779 0 40 IDAB CC(C)N1C[C@@H](C(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)CC1=O 19447662 WNFLNNQGRYGSNI-WCJKSRRJSA-N 435.471 1.423 0 40 IDAB CCn1nc(CC(=O)NC2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)c2ccccc2c1=O 19523696 LWNCPZGOYIQREY-UHFFFAOYSA-N 436.516 1.444 0 40 IDAB CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)N1CCOCC1 20084362 SVKVVBZPVCFGIL-SFHVURJKSA-N 426.477 1.462 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCN(C)CC1 20546398 RZSZIJUUEITTRM-NJNPRVFISA-N 444.601 1.950 0 40 IDAB COc1cccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)c1 20738009 ZXTPOQKBFJMAIR-QGZVFWFLSA-N 443.525 1.581 0 40 IDAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 21375565 WKFANNRWWVOKAS-UHFFFAOYSA-N 446.529 1.038 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3nccs3)CC2)C(C)C)cc1 21472339 YBAFKBYTMCXHIK-KRWDZBQOSA-N 438.575 1.803 0 40 IDAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 22527980 FDZMUZMKZYKERO-UHFFFAOYSA-N 447.513 1.999 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2cccc(-n3cnnn3)c2)c1 22899395 IPDHBLCNDCLAAD-UHFFFAOYSA-N 430.490 1.710 0 40 IDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCCN(CC(=O)NC(C)(C)C)CC1 22931832 SKKLGVGWCIZQQL-IBGZPJMESA-N 445.608 1.669 0 40 IDAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCCN(c3ncccn3)CC1)cn2CC(=O)O 36366122 HXTTVUKECAUSFZ-HXUWFJFHSA-N 439.472 1.863 0 40 IDAB COc1cccc([C@H]2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)c1OC 39976519 CYHPEICRNQVRSB-HNNXBMFYSA-N 433.895 1.407 0 40 IDAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Cn3cnc4ccccc4c3=O)n2)cc1 42379587 HGEHQGNEAGLMKE-UHFFFAOYSA-N 445.479 1.835 0 40 IDAB CN(C)S(=O)(=O)N1CCCC[C@@H]1Cc1c(C(=O)NCCO)sc2ccccc12 72370447 BXQYLZKZUXAGQJ-CQSZACIVSA-N 425.576 1.827 0 40 IDAB CC(C)C[C@H](C(=O)N(C)C[C@H](O)COCCOC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 78986966 HFWAGDMXHQTNFB-VNTMZGSJSA-N 438.565 1.613 0 40 IDAB Cc1cccc(CN2CCn3c(nn(CC(=O)Nc4cc(F)ccc4F)c3=O)C2=O)c1 98213152 WENZYEFEERRNOF-UHFFFAOYSA-N 427.411 1.926 0 40 IDAB COc1ccc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 224714352 NOSDITIRNAQUGP-UHFFFAOYSA-N 447.557 1.610 0 40 IDAB Cc1cn([C@H]2CN(C(=O)C3(Cc4ccccc4F)CCN(C)CC3)C[C@@H]2O)c(=O)nc1O 257247781 JAMFWMAGHMUTMV-OALUTQOASA-N 444.507 1.095 0 40 IDAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 409205866 POEDIACVICFFFX-ZDUSSCGKSA-N 441.531 1.428 0 40 IDAB CCCCn1c(=O)nc(O)c2c1nc(CN1CCC[C@H](c3ccnc(N)n3)C1)n2CC 548936507 UVGFPEXWUJILSX-AWEZNQCLSA-N 426.525 1.870 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148445 BCCLDDPFNDGCDO-UHFFFAOYSA-N 440.378 1.412 0 40 IDAB O=C(NCc1cccc2c1OC(F)(F)O2)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1641302217 IZELRWYPZNIMDJ-ZBFHGGJFSA-N 436.386 1.968 0 40 IDAB COCCN1C(=O)[C@H]2CN(Cc3cccc(OC(F)F)c3)CCN2C12CCOCC2 1772595356 PBBWBAORNNWSRK-GOSISDBHSA-N 425.476 1.770 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCSCC2)cc1 1775977692 JZXADQCMZKZKCZ-UHFFFAOYSA-N 429.564 1.741 0 40 IDAB CCOc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)cc1C 1888921926 CBVIPCHXYLDULV-CALCHBBNSA-N 442.545 1.897 0 40 IDAB CCC(=O)Nc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)c1 930418 JAEXAYUHSBMBAY-UHFFFAOYSA-N 444.517 1.533 0 40 IDAB COC(=O)CS(=O)(=O)c1nnc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 8606818 OQDBMGNDSYELAE-CYBMUJFWSA-N 425.463 1.825 0 40 IDAB CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C 8704259 LPWHCFLLVIGFHI-AWEZNQCLSA-N 428.468 1.878 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)cc1NC(C)=O 9508281 PHIGGOHDGQELQV-UHFFFAOYSA-N 429.476 1.110 0 40 IDAB COC[C@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 10219868 HDENEMTUNXSRNY-JTQLQIEISA-N 426.882 1.044 0 40 IDAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2cccs2)CS(=O)(=O)C3)cc1 10250509 LOMBQLGMUFHJIQ-UHFFFAOYSA-N 430.511 1.926 0 40 IDAB CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)CC(=O)c2cc(C)ccc2O3)CC1 12086726 BMTHXQMLYWKMID-XDHUDOTRSA-N 441.528 1.791 0 40 IDAB COc1cc(NC(=O)C2=CC(c3cnn(C)c3C)=NS(=O)(=O)N2C)cc(OC)c1OC 12155129 DEXDTEQKIUSCLQ-UHFFFAOYSA-N 449.489 1.256 0 40 IDAB O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1 13150962 BWZSAZHKTORANE-UHFFFAOYSA-N 449.460 1.635 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc4n3CCCCC4)CC2)cc1 13164448 BUDVJBAYDIGEGE-UHFFFAOYSA-N 449.602 1.938 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(=O)NCCC(=O)O)cc3)ccc21 13300713 XMGOVZNKTYVTNA-UHFFFAOYSA-N 431.470 1.601 0 40 IDAB CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(=O)n(C)n1 14864089 HENMHXHQGJYQRC-UHFFFAOYSA-N 434.518 1.994 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 15930988 HDMJHFYFPJLYQB-UHFFFAOYSA-N 437.424 1.406 0 40 IDAB COc1ccccc1CNC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 19570783 QDSAUPSWCIOYSM-XMMPIXPASA-N 437.496 1.885 0 40 IDAB CN(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699889 YDGICRNGRWYLLN-IBGZPJMESA-N 427.549 1.126 0 40 IDAB COc1ccc(CN2CCN(CC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)cc1 22781767 KHLBZWHJLWVLOE-UHFFFAOYSA-N 444.620 1.964 0 40 IDAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 22796250 XCJOKNRAVYGAPC-SFHVURJKSA-N 428.464 1.598 0 40 IDAB COc1ccc(C(N)=O)c(OCC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1 24835445 QODXFIMGPOIXSW-UHFFFAOYSA-N 429.448 1.863 0 40 IDAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NCc1ccc(F)cc1 25426155 DCRURIUGZQJETF-OAHLLOKOSA-N 428.416 1.809 0 40 IDAB COc1ccc([C@H]2CCCN2C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 25716247 PQGUVTNTEVBGQS-QGZVFWFLSA-N 425.489 1.586 0 40 IDAB O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)cc1 32938319 GFRVNRGCXWXBMO-GOSISDBHSA-N 436.472 1.876 0 40 IDAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 32957609 DTXWXNUKSCOJED-AWEZNQCLSA-N 437.474 1.496 0 40 IDAB CC(=O)O[C@H]1[C@H]2C=CC3C(C4C=C[C@H]5[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]5C34)[C@@H]2[C@@H]1OC(C)=O 33783522 NVFCLEIDAMUEOZ-BGNFHHHISA-N 444.480 1.823 0 40 IDAB O=S(=O)(c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1)N1CCCC1 35311633 WBUFENBWYBNMTA-UHFFFAOYSA-N 427.592 1.720 0 40 IDAB O=C(CN1CCN(C(=O)CSc2nnnn2C2CCCC2)CC1)Nc1ccc(F)cc1 35388137 DPJGHKUCRDILGG-UHFFFAOYSA-N 447.540 1.802 0 40 IDAB COC(=O)C[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1ccccc1 48344406 OYKUQOAJHBVKGN-SIKLNZKXSA-N 435.480 1.883 0 40 IDAB COCCNC(=O)COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 56949932 RPLLSOZSHWECCT-UHFFFAOYSA-N 435.908 1.757 0 40 IDAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 71892533 YEMAYIHNZSUGJE-HBMCJLEFSA-N 447.601 1.235 0 40 IDAB CN(CC(=O)N1CCC(O)CC1)C(=O)Cc1cc2c(cc1Br)OCCO2 97104080 QDXFEEAZCWEFKQ-UHFFFAOYSA-N 427.295 1.205 0 40 IDAB Cc1cc(C)n(CC(=O)NCc2cccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)c2)c(=O)n1 257316722 VGRRVLUKBZNBEY-IHPCNDPISA-N 425.489 1.283 0 40 IDAB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4nccs4)cc3C2=O)s1 408689826 SRWDWYDNGHOVSF-UHFFFAOYSA-N 429.439 1.899 0 40 IDAB COc1ncc(CN2C[C@H](C(=O)NCCc3noc(C)n3)C3(CCOCC3)C2)cc1C 585101903 IRLBTWLIFNVNAD-GOSISDBHSA-N 429.521 1.678 0 40 IDAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(C(=O)NCCC(=O)O)cc3)ccc21 673896913 OEEQSJSCQXSEFD-UHFFFAOYSA-N 445.497 1.991 0 40 IDAB CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)N(C)c3ccccc32)C(C(=O)OC)=C(N)O1 2482366 HSSYOWQVFAJYFP-QFIPXVFZSA-N 444.440 1.045 0 40 IDAB CCCCCn1c(=O)c2c(nc3n2C[C@@H](O)CN3c2ccc(OCC)cc2)n(C)c1=O 5180301 XEZZUMCYNWOPJP-INIZCTEOSA-N 427.505 1.998 0 40 IDAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1nnnn1-c1ccccc1 8755210 TUFHCMCYRBEVAH-UHFFFAOYSA-N 428.474 1.125 0 40 IDAB Cc1nc(-n2[nH]c3c(c2=O)CCCC3)[nH]c(=O)c1CCCN1C(=O)c2ccccc2C1=O 8873609 LBSYNSXOJYLXMV-UHFFFAOYSA-N 433.468 1.665 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)NCCn3nc(-c4ccco4)ccc3=O)ccc21 8954758 PXXLPKSUGMJMKQ-UHFFFAOYSA-N 428.470 1.391 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)C2)cc1 9059863 QSFBACJBHIVNRU-HNNXBMFYSA-N 441.513 1.983 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc2c(c1)OCCO2 9587605 BUIRWQACUDXBAP-UHFFFAOYSA-N 448.497 1.669 0 40 IDAB Cc1ccc(C2=NN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H](c3ccco3)C2)cc1 9798441 ZBRSDUCZGKIEHI-KRWDZBQOSA-N 446.467 1.713 0 40 IDAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3nonc3NC(C)=O)n2C)c1 9878003 GDDXCNGXKNDNKF-UHFFFAOYSA-N 433.450 1.572 0 40 IDAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NC[C@@H]2CCCO2)CS(=O)(=O)C3)c(C)c1 10250615 YRESPBZBBBUGCL-AWEZNQCLSA-N 432.502 1.151 0 40 IDAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC 11906107 SSVKGDASBYLZSI-UHFFFAOYSA-N 438.527 1.973 0 40 IDAB CC(C)Oc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 12164884 JKHAOKUKWVZMAB-UHFFFAOYSA-N 447.561 1.536 0 40 IDAB CC(C)NC(=O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 12390599 TXFVKBFEVHSLJL-ZDUSSCGKSA-N 439.563 1.123 0 40 IDAB COc1ccc(NC(=O)CNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)cc1 12776512 YZQQLTKAYSDCTD-SEFVSHJNSA-N 436.461 1.146 0 40 IDAB biogenic CC(=O)c1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 12797149 PNZYTQDWHUJEOQ-IBGZPJMESA-N 436.505 1.775 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccc(F)cc1)c(=O)n2CC(=O)N1[C@@H](C)CCC[C@H]1C 13228011 SJDBVQMYIIVQOM-BETUJISGSA-N 440.479 1.918 0 40 IDAB CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)C1 13790552 JRSVMMZNGSXMCY-ZDUSSCGKSA-N 426.539 1.756 0 40 IDAB CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)N1CCC[C@@H]1C(=O)O 15969685 JOFBCJSJNSSHRO-VOGPDBBUSA-N 445.516 1.655 0 40 IDAB biogenic COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)[C@@H]3COc4ccccc4O3)CC2=O)c1 20745914 XKEJPCJLZAMDMI-YWZLYKJASA-N 439.468 1.121 0 40 IDAB COc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 20768519 BSRWVHWSMREYOO-UHFFFAOYSA-N 440.543 1.967 0 40 IDAB CCOC(=O)C1=C(CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)NC(=O)N[C@H]1CC 21672512 NREZZBWWWOJAMU-INIZCTEOSA-N 430.553 1.939 0 40 IDAB O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 23109650 SSGYFJQCTPQEBK-JOCHJYFZSA-N 443.569 1.988 0 40 IDAB CCc1ccc(C(=O)NCCCCCC(=O)OC)cc1S(=O)(=O)N1CCOCC1 23110273 OOUNZZIQMSZZPI-UHFFFAOYSA-N 426.535 1.733 0 40 IDAB Cn1ncc2c(=O)n(CC(=O)NCCNc3ncc(C(F)(F)F)cc3Cl)cnc21 25339554 HSBDGLAXWGSSOI-UHFFFAOYSA-N 429.790 1.426 0 40 IDAB CCOC(=O)C(NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)C(=O)OCC 25993040 DZAYWSDBDRUWAO-LLVKDONJSA-N 441.278 1.413 0 40 IDAB Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cnn1-c1ccc(O)nn1 29883257 QBIYHFITRPWUKD-GOSISDBHSA-N 426.452 1.619 0 40 IDAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1COc2ccccc2O1 32675401 NQYCJEFLTDMPEW-IFXJQAMLSA-N 429.498 1.706 0 40 IDAB CCOC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 57414423 ILAVEXMLXLMEKK-LJQANCHMSA-N 440.479 1.609 0 40 IDAB O=C(Cc1cccc(F)c1)NCCNC(=O)N1CCC(C(=O)Nc2nncs2)CC1 58167112 FOCVYEJKXYIJFA-UHFFFAOYSA-N 434.497 1.396 0 40 IDAB COC(=O)c1nn(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(=O)c2noc(C)c12 58171499 CPRJFUBSRDSBTK-CYBMUJFWSA-N 431.493 1.408 0 40 IDAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)cn2)cc1 72294516 YASMTHSJLLWFEX-UHFFFAOYSA-N 430.442 1.791 0 40 IDAB CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)CCn3nc(C)nc3C)CC2)n1 72337228 AKUCYMJGFRFGPJ-UHFFFAOYSA-N 427.553 1.880 0 40 IDAB CCCC(=O)N1CCc2nc(C3CCN(C(=O)c4ccnn4CC)CC3)[nH]c(=O)c2C1 72398907 KAYHFZXMJYKYMR-UHFFFAOYSA-N 426.521 1.691 0 40 IDAB Cn1cnc2c1c(=O)n(CCCOC(=O)C13C[C@H]4C[C@@H](CC(Cl)(C4)C1)C3)c(=O)n2C 102412696 HEKYYUUREJBYLY-RKOMNEFPSA-N 434.924 1.945 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)N(C)C 106901414 PISDWBGGTACVOA-RVKKMQEKSA-N 425.551 1.327 0 40 IDAB C[C@@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222684083 RQDLAVGIEBMVRM-CQSZACIVSA-N 448.497 1.872 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)[C@@H]3[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)nc2C1 247511739 INKFFTWCIDANCQ-FXELPECLSA-N 446.573 1.846 0 40 IDAB CC(=O)NCC(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 257279577 OHGXCASVGPPENN-JOCHJYFZSA-N 435.496 1.198 0 40 IDAB COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4cccnc4OC)C2)C3)cc1 306134462 NOKLQOXOYHBGGZ-DEOSSOPVSA-N 449.511 1.314 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCOCC2)C1 408587644 BTSZZBHDMZVQBA-GOSISDBHSA-N 439.578 1.243 0 40 IDAB CCS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 408703092 MVNMIYLBVLCUDK-UHFFFAOYSA-N 445.541 1.916 0 40 IDAB O=C1[C@H]2[C@@H](C(=O)N1c1cccc(I)c1)[C@H]1C=C[C@@]2(C2OCCO2)O1 409293483 YSLSVPAQFQPNDV-IPJQOSJUSA-N 439.205 1.477 0 40 IDAB COc1ccccc1-c1noc(CNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)n1 524734396 BCDWQDQYUZEJNM-INIZCTEOSA-N 435.440 1.892 0 40 IDAB COC(=O)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)CCNC(=O)OCc1ccccc1 1665548322 PGZHPPMGVLLVRS-SFHVURJKSA-N 438.477 1.756 0 40 IDAB O=C(N[C@H]1CCS(=O)(=O)C1)C1=NO[C@]2(CCCN(Cc3ccc(F)cc3F)C2)C1 2056226698 XYZNTTXKMIANKQ-HNAYVOBHSA-N 427.473 1.379 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 2065778 UQQMTWSELDJXLK-UHFFFAOYSA-N 438.314 1.558 0 40 IDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1 8878216 CFMRGWSWSRFICU-UHFFFAOYSA-N 440.477 1.752 0 40 IDAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)NCc1ccco1 10793249 POQSYKFETYTZDV-UHFFFAOYSA-N 442.877 1.427 0 40 IDAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C[C@@H]3C(=O)NCCN3C)cc2n1 12230601 DVHRGPYCINQRHW-HUUCEWRRSA-N 438.454 1.794 0 40 IDAB CC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 12364525 BFASXKFYSTZEBC-UHFFFAOYSA-N 445.497 1.335 0 40 IDAB O=c1nc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)[nH]c2sc3c(c12)CCCC3 12815040 IFUBLIDPZCRZTH-UHFFFAOYSA-N 446.554 1.858 0 40 IDAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2N=C(N3CCN(c4ccccc4)CC3)NC2=O)cc1 13690717 WVCOKUAKRWMFEQ-FQEVSTJZSA-N 449.511 1.869 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 16044446 NFLMEORRJGFHOR-SFHVURJKSA-N 439.559 1.974 0 40 IDAB CCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)n[nH]c1=O 16695021 XBISSXFGIVEZRP-UHFFFAOYSA-N 427.552 1.743 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)C(C)C)cc1 17747564 XAQRTJZDLSURRZ-FCEWJHQRSA-N 426.535 1.477 0 40 IDAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 19239459 QCJXTQCSSSDMIU-RTBURBONSA-N 437.500 1.514 0 40 IDAB COc1cccc(CN2CCc3[nH]c(N4CCOCC4)nc(=O)c3CC2)c1OC(F)F 19567247 ZUAULJHOBPBIRW-UHFFFAOYSA-N 436.459 1.817 0 40 IDAB COCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C3 19821253 QHQQUEAELIQKLQ-CYBMUJFWSA-N 425.441 1.661 0 40 IDAB COCCNC(=S)N(CCN1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 19823459 BWGXUIPIKAOBOO-UHFFFAOYSA-N 432.590 1.800 0 40 IDAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 21149417 MBYGTRNSLCVWGA-UHFFFAOYSA-N 436.900 1.961 0 40 IDAB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2)NCc1ccccc1 22909132 RJQMGYUURHAAFZ-UHFFFAOYSA-N 442.585 1.863 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1cccc(C(=O)NC2CC2)c1 23846018 AJFIMZWPJGCHNP-HSZRJFAPSA-N 434.452 1.747 0 40 IDAB CN(CCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 24748110 SOIFMDFSQZQCRB-UHFFFAOYSA-N 430.530 1.063 0 40 IDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@H](C(=O)OCC)C3)cc(C3CC3)nc21 32059887 BXNRWEDRXXMABQ-AWEZNQCLSA-N 428.489 1.788 0 40 IDAB C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(C[C@@H](O)c2ccc3c(c2)OCO3)C1=O 58105568 DTFADJSNGLVDLA-QRWLVFNGSA-N 432.454 1.319 0 40 IDAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)CN4CCCC4)CC3)n2)CC1 72335963 YOKQUCFJBXLBLX-UHFFFAOYSA-N 449.621 1.918 0 40 IDAB Cc1nc(C)n(C[C@H](C)C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338891 HDZVHXYYGKEGSB-ORAYPTAESA-N 432.550 1.500 0 40 IDAB CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(Cc1cnn(C)c1)C(C)C 89274511 RQWUKQWKFOFAII-UHFFFAOYSA-N 430.552 1.790 0 40 IDAB CCS(=O)(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2S(C)(=O)=O 96036930 HNCHWMNMMOMHPK-UHFFFAOYSA-N 438.575 1.466 0 40 IDAB COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3c(C)nn(C)c3C)c(=O)n12 103721500 QWJJUGWLQHRWNT-TZYYKHRRSA-N 438.509 1.209 0 40 IDAB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 104846912 JDNBUCYFCINGLN-NARGUJOISA-N 432.480 1.494 0 40 IDAB CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(OC(F)(F)F)c3)C2)C1=O 225385027 MZWHSKVVIYUUSY-WBVHZDCISA-N 441.450 1.744 0 40 IDAB biogenic,in-vitro C[C@@]1(O)CCN(C(=O)CCCc2nc3cc(F)ccc3[nH]2)C[C@H]1n1ccc(O)nc1=O 257224146 FAMVGMNZTYFNEL-IIBYNOLFSA-N 429.452 1.512 0 40 IDAB COc1cc(C(=O)N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)cc(OC)c1OC 1888897193 KDKJKWXXEIOAFO-ZIAGYGMSSA-N 432.452 1.864 0 40 IDAB O=C(C1CC(F)(F)C1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243270 WPXXSZWOZLLUNH-AWEZNQCLSA-N 425.457 1.476 0 40 IDAB CCCN(CC1CC1)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc2nsnc12 2643366 ZGIBWZGIVHJYCQ-GFCCVEGCSA-N 440.547 1.550 0 40 IDAB COc1ccc(-n2nnnc2Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 3410806 DPOJCEISJJGMKS-UHFFFAOYSA-N 434.503 1.238 0 40 IDAB CN(C)CCCNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6198513 GJXWXTCGYSSGEI-UHFFFAOYSA-N 433.578 1.447 0 40 IDAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)NC[C@@H]1CCCO1 9441340 HZXUSKDOXPOMIW-HNNXBMFYSA-N 444.937 1.967 0 40 IDAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1cc(OC)ccc1OC)c(=O)n2C 9571735 PDHHVPZSAFLUSC-UHFFFAOYSA-N 442.472 1.712 0 40 IDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCN1CCN(c2ccc(F)cc2)CC1 9763939 VPRRYIYTMCPRAA-UHFFFAOYSA-N 439.495 1.336 0 40 IDAB O=C(Cn1c(=O)c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c1=O)N1CCCC1 12547812 IXYDOFZFENJQNF-UHFFFAOYSA-N 433.468 1.672 0 40 IDAB Cn1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc4c(c3)OCCO4)CC2)c1 12775446 BIHAGEOLZSFDMZ-UHFFFAOYSA-N 433.530 1.556 0 40 IDAB CCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 13250096 FTKGUCIYMXLFEJ-UHFFFAOYSA-N 441.531 1.974 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)ccc1OC 13680060 GFZWRSHLESKVAT-UHFFFAOYSA-N 436.442 1.429 0 40 IDAB O=C(c1cnc2n(c1=O)CCS2)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 14238888 WYVZJWGXTQJZBZ-UHFFFAOYSA-N 438.506 1.025 0 40 IDAB COc1ccc2c(c1)OC1(CCN(C(=O)c3csc(NC(C)=O)n3)CC1)CNC2=O 19022902 WXFKQVZQQLOWDC-UHFFFAOYSA-N 430.486 1.907 0 40 IDAB O=S1(=O)CC[C@H](S(=O)(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CC3)CC2)C1 19332768 ARQQYBBQSYNXOU-SFHVURJKSA-N 447.022 1.943 0 40 IDAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)C1 20244411 WYWSGVKVSPCXHQ-IRXDYDNUSA-N 428.574 1.923 0 40 IDAB CCC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)cc1 21682338 DLQXSUNZMMQCNG-UHFFFAOYSA-N 432.502 1.702 0 40 IDAB CCc1ccccc1-n1c(C)cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12 22385770 YPFBJKCUEBIGFL-UHFFFAOYSA-N 436.516 1.342 0 40 IDAB Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 25849805 YKADBGNTXCPCOM-INIZCTEOSA-N 445.497 1.498 0 40 IDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 26181196 OLJHRVYVNJOUDC-UHFFFAOYSA-N 437.543 1.025 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 34713690 PYFMMBOKPYJJTB-GFCCVEGCSA-N 447.351 1.918 0 40 IDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC 67287397 MBEAJPYSVSOVOW-IBGZPJMESA-N 435.477 1.216 0 40 IDAB CCN1CCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccc(OC)cc2O3)CC1 72327496 RUDBQLNSGWMOCE-QMHKHESXSA-N 444.532 1.079 0 40 IDAB CCCNS(=O)(=O)Nc1ncnc(OCCO)c1-c1ccc(Br)cc1 95093019 MKPBJHFHEQSWAH-UHFFFAOYSA-N 431.312 1.934 0 40 IDAB CCN(C(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2)C(C)C 96147554 IELLWPCTHMMWBC-UHFFFAOYSA-N 433.534 1.335 0 40 IDAB CC[C@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1cccc(S(N)(=O)=O)c1 97001456 KTYDDCRYJRTKRH-KRWDZBQOSA-N 430.461 1.900 0 40 IDAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223617249 DHCORGNXQMLQLH-INIZCTEOSA-N 443.525 1.693 0 40 IDAB CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3OC(F)(F)F)[C@@H](O)[C@H]2O1 225512893 UMCAVCFWUUSMSA-ZLJHSHKTSA-N 432.439 1.875 0 40 IDAB biogenic,in-vitro C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 245267810 MMEJCLBULUBJBT-NUEKZKHPSA-N 428.441 1.669 0 40 IDAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cc(C)on4)cc3)C(=O)[C@H]21 408668614 VFNVWHMOJABZKL-YDGZCJQPSA-N 435.436 2.480 0 40 IDAB O=c1cc(CN2CCN(c3cncc4ncnn34)CC2)nc2ccc(Br)cn12 683679724 MHLMNCJUADBCIN-UHFFFAOYSA-N 441.293 1.217 0 40 IDAB CC1(C)N=C(O)N(C[C@@H](O)COc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)C1=O 4199464 HJIBHMRTIMQCCM-PVAVHDDUSA-N 427.457 1.417 0 40 IDAB CCC(C)(C)NC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N 6461977 LRUYTNNBZUECEM-UHFFFAOYSA-N 447.517 1.500 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCc1nnc2ccccn12 9255387 TXSVGEMHRRVBMJ-LLVKDONJSA-N 438.307 1.475 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)C1 9304818 OACHBKUNSQYJQN-IBGZPJMESA-N 429.517 1.457 0 40 IDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCN(c2ccccc2)CC1 9421115 GQBKCNRAKIZTLJ-UHFFFAOYSA-N 435.532 1.207 0 40 IDAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O 9666542 UAWAYUNYBMEAIL-JOCHJYFZSA-N 448.439 1.474 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nnc(CCCc3ccccc3)s2)n(C)c1=O 9667428 UCEOLYUZOWBHTI-UHFFFAOYSA-N 439.501 1.099 0 40 IDAB COc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)c1 9671800 DOHMFOYSGSNGGI-UHFFFAOYSA-N 439.484 1.991 0 40 IDAB O=C(CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCc1ccccc1 12390824 SYCPMFWQPNZDGO-UHFFFAOYSA-N 445.483 1.615 0 40 IDAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N1CCN(C(=O)c2ccco2)CC1 13121372 YGKGFLABWJQYFQ-SFHVURJKSA-N 449.467 1.208 0 40 IDAB CC(C)[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C[C@@H]([C@H]2C=C[C@H](C)C2)C1=O 16754499 WBHZECPWZFPNII-IPQUUHLSSA-N 433.530 1.884 0 40 IDAB Cc1ccc(CN2C[C@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)cc1 17051813 YKCOJEQPFCVFBM-HXUWFJFHSA-N 441.553 1.877 0 40 IDAB Cc1cccc(NC(=O)CN2CCN(C(=O)Cn3nc(O)c4ccccc4c3=O)CC2)c1C 18147792 VUMKTEZEXPFPAF-UHFFFAOYSA-N 449.511 1.502 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCC[C@@H](C)C3)CC1)CNC2=O 19496459 DTHKSNQUMAYSDV-MWTRTKDXSA-N 429.517 1.827 0 40 IDAB CCC(CC)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(S(=O)(=O)N(C)C)CC3)C1 19500147 GFJOITOSMHHQMC-HNNXBMFYSA-N 439.582 1.077 0 40 IDAB COc1cccc(OC)c1OCC(=O)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19568230 IJPNDNIGNKRZPX-INIZCTEOSA-N 428.489 1.731 0 40 IDAB CN1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)CN3CCCCCC3=O)nc2)CC1 19708738 XAWXYWPNMGCRFX-HXUWFJFHSA-N 427.549 1.535 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)N3CCN(C(=O)COc4ccccc4)CC3)CC2=O)c1 20714776 XAKRLKKPJVUPPS-SFHVURJKSA-N 437.496 1.798 0 40 IDAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccc(Cn2cncn2)cc1 32889872 KYIBBHUEKMPHGW-UHFFFAOYSA-N 442.497 1.578 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1)C(=O)OC 36593425 GJWFEFWVJNGEPG-APWZRJJASA-N 430.461 1.570 0 40 IDAB biogenic COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 40105899 YTLLUXAOMVVJJL-AWEZNQCLSA-N 440.543 1.888 0 40 IDAB CCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O 44168871 RZSSLCQNNAGTQY-OUUBHVDSSA-N 431.482 1.239 0 40 IDAB biogenic COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 69380675 AUIUCBDCKXMBKF-UHFFFAOYSA-N 434.470 1.973 0 40 IDAB O=C1C[C@H](N2CCN([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)C(=O)N1c1ccccc1 100393910 JMZMOIGUGYEDAE-PMACEKPBSA-N 432.480 1.268 0 40 IDAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1I 107849448 RXLDOMIFXHDURK-YRNVUSSQSA-N 430.198 1.756 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 222459915 CWMVAFNMPBNCJB-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223449502 QCHVYAQZCYIWEX-ZCNNSNEGSA-N 441.528 1.890 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1C(=O)N1CCOCC1 225253496 DHJZLCMTENMDGQ-HNNXBMFYSA-N 448.497 1.286 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCCCn1ccnc1 408596266 UAAXNJYHQPNKCN-UHFFFAOYSA-N 426.926 1.906 0 40 IDAB C[C@]1(c2cccc(CNC(=O)NC[C@H](O)c3cc(F)c(F)c(F)c3)c2)NC(=O)NC1=O 1678011285 CKWFNSGHDFRJBD-MGPUTAFESA-N 436.390 1.691 0 40 IDAB CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)/C=C/c2cccs2)CC3)C1=O 2055795988 GCUVTFBMWXWVDT-RRFGBZISSA-N 437.587 1.494 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccccc3Cl)cs2)n(C)c1=O 2628386 IVAWNIXUCBFRKV-UHFFFAOYSA-N 430.877 1.849 0 40 IDAB CCCCCCO[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 4279285 RZSSLCQNNAGTQY-MFKWGIFDSA-N 431.482 1.239 0 40 IDAB CCOc1ccc([C@@H]2CCCN2C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 9337491 YCYCCZBZDANUNI-SFHVURJKSA-N 439.516 1.976 0 40 IDAB O=C(O)c1ccccc1C(=O)N(CCS(=O)(=O)N1CCOCC1)Cc1ccncc1 9344703 ABSVSUAMPQWNMB-UHFFFAOYSA-N 433.486 1.084 0 40 IDAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1cnccn1 9441162 XRAWUHXOYWQSMZ-UHFFFAOYSA-N 430.461 1.906 0 40 IDAB NC(=O)NC(=O)COC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 9637663 HFCGEGNINFGCQT-UHFFFAOYSA-N 441.465 1.921 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2ccccc2)c(C)c1 12080649 LZZUGYYLICXGTF-IBGZPJMESA-N 445.541 1.391 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)CC2)cc1 12809422 NKPFXWLPISKPHR-LJQANCHMSA-N 430.482 1.310 0 40 IDAB NC(=O)Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 12845918 HASBVFBDSKBTJD-UHFFFAOYSA-N 448.570 1.699 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)NCc3ccccc3S(=O)(=O)N(C)C)CC2=O)c1 13021761 BQAILFDNVUXODE-INIZCTEOSA-N 431.514 1.615 0 40 IDAB CC(C)C[C@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 13062910 GPNUCZCYFHPVTI-IBGZPJMESA-N 426.514 1.446 0 40 IDAB COCCN(CCOC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O 13138920 HKWDSBPCVDTFDY-IBGZPJMESA-N 429.420 1.176 0 40 IDAB COC(=O)CC(=O)[C@@H](C(=O)OC)c1nc(C)nc2c1nnn2Cc1ccccc1Cl 13563243 XLXCJGXZDOJBAG-OAHLLOKOSA-N 431.836 1.620 0 40 IDAB CCCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16024567 UXKZVKPESZJUQE-PLDRTOJQSA-N 436.306 1.350 0 40 IDAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2cccnc2)c2ccco2)cc1 17043324 BTLNZJUKBPJHMY-IBGZPJMESA-N 427.482 1.931 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 19592900 UFUSUFFRQRRVLF-GOSISDBHSA-N 428.464 1.808 0 40 IDAB CC(C)CN1CCC2(CC1)NC(=O)N(C1CCN(S(=O)(=O)c3ccccc3)CC1)C2=O 19701296 LBZRTLKEDBZFGN-UHFFFAOYSA-N 448.589 1.882 0 40 IDAB O=C(CN1CCOCC1)N1CC[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19761353 VBUDKHCMDJYJOQ-GOSISDBHSA-N 438.528 1.355 0 40 IDAB O=C1C[C@H](C(=O)Nc2ccc(Br)cc2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 19961015 LLPUDVDNJZMTPS-LBPRGKRZSA-N 448.277 1.434 0 40 IDAB COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccn2)CC1 20503910 WCNXWMKRQJFTAE-SLFFLAALSA-N 432.638 1.025 0 40 IDAB biogenic,in-vitro COc1ccc(OC)c([C@H](c2sc3nc(C)nn3c2O)N2CCN(CCO)CC2)c1 22626938 KKYYIUUEVPERIS-QGZVFWFLSA-N 433.534 1.521 0 40 IDAB NC(=O)CCN1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 22910775 QCAPJZYCHNRULI-UHFFFAOYSA-N 433.374 1.906 0 40 IDAB CS(=O)(=O)N1CCCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1 24780061 QLZNTRHPXVPDCV-UHFFFAOYSA-N 426.516 1.361 0 40 IDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 24975515 SSOWSEHQNXDCDU-UHFFFAOYSA-N 425.514 1.662 0 40 IDAB CCc1nn2c(=O)cc(COC(=O)CCn3c(=O)n(CC)c4ccccc43)nc2s1 26293840 UUDRPYOEYINCLS-UHFFFAOYSA-N 427.486 1.983 0 40 IDAB Cc1csc(CC(=O)N2CCN(CC(=O)N[C@@H](C)c3ccc4c(c3)OCO4)CC2)n1 37178514 IFTCWUIBWTWSSB-HNNXBMFYSA-N 430.530 1.744 0 40 IDAB O=C(NCCc1nnc2n1CCCCC2)NCCS(=O)(=O)NCc1ccc(F)cc1 58163057 NLRCXWCTVOKDCC-UHFFFAOYSA-N 438.529 1.105 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)N=C(c1ccc(F)cc1)C(=O)N2 64965700 ISUBXEFILABJPW-UHFFFAOYSA-N 445.472 1.712 0 40 IDAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(C4CCOCC4)[C@@H]3CO)cc2)nn1C 72321548 BGKLRHSLQVZLIL-TZIWHRDSSA-N 428.489 1.421 0 40 IDAB biogenic,in-vitro CN(C)C(=O)CN1C[C@H]2CCN(C(=O)Nc3cccc(Cl)c3)CC[C@H]2S1(=O)=O 96145627 OAYNWFFHQRWYIF-CZUORRHYSA-N 428.942 1.686 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225427466 KHBNOKQHVPBKKT-AWEZNQCLSA-N 439.484 1.894 0 40 IDAB COCC(=O)NCc1cccc([C@H]2CN(C)C[C@H]2C(=O)NCCc2ccc(OC)cc2)c1 257308529 TXCDYMWIRAAJEQ-DHIUTWEWSA-N 439.556 1.962 0 40 IDAB COCC(=O)NCc1cccc([C@@H]2CN(C)C[C@@H]2C(=O)NCCc2ccc(OC)cc2)c1 257308530 TXCDYMWIRAAJEQ-GOTSBHOMSA-N 439.556 1.962 0 40 IDAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 408593767 ODJLVQQRBOFFAC-UHFFFAOYSA-N 433.530 1.623 0 40 IDAB Cc1cccc(NC(SCC(=O)NC[C@H]2CCCO2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 409376597 ZYJXVUDELORWLO-OAHLLOKOSA-N 446.529 1.697 0 40 IDAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CN1CCS(=O)(=O)CC1 501182129 QCFFETQLZWDVAG-HXUWFJFHSA-N 446.573 1.179 0 40 IDAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)N5CCCCCC5)C[C@@H]4C3)ncn2)n1 585616161 OTZJMYARHMQIBE-OALUTQOASA-N 445.593 1.768 0 40 IDAB COc1ccccc1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243137 LTGQJSSASNBGNC-INIZCTEOSA-N 441.509 1.753 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 2125445 CKVSERXQEKUOME-ODXCJYRJSA-N 432.473 1.774 0 40 IDAB biogenic O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)C1CCCCC1 2415304 OUGCUOGJWZQCSE-LJQANCHMSA-N 436.390 1.932 0 40 IDAB O=C(OCC(=O)N1CCCC1=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 8769967 KBSJUINOGWTKOM-UHFFFAOYSA-N 445.291 1.196 0 40 IDAB Cc1csc2nc(CSc3ccc(S(=O)(=O)N4CCOCC4)cn3)cc(=O)n12 9127044 KDIKSXMLLYZHFB-UHFFFAOYSA-N 438.556 1.773 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)CCCSc2nnnn2C)c(=O)[nH]c1=O 9128731 MILDJALEVIQRMK-UHFFFAOYSA-N 438.558 1.004 0 40 IDAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccncc1 9344450 MUOPMGGJPKWPAE-HNNXBMFYSA-N 434.493 1.766 0 40 IDAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccccn1 9411104 XXJIKXVOXAPFPQ-INIZCTEOSA-N 430.530 1.303 0 40 IDAB O=C(OCn1nnc2ccccc2c1=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 9958700 FLRKGJXEZVWTFM-SFHVURJKSA-N 428.470 1.536 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@@H](c2ccccc2[N+](=O)[O-])n2nnnc2N1 10232289 UHHATEBSFQXQJT-QGZVFWFLSA-N 436.384 1.915 0 40 IDAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCc1ccc2c(c1)OCO2 10791669 ZPARLTJTRPRCDL-CYBMUJFWSA-N 434.470 1.527 0 40 IDAB Cc1cc(C)n2nc(SCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nc2n1 11020046 RKBZXYNBXWEBAH-GJZGRUSLSA-N 439.563 1.028 0 40 IDAB COCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2C 11613343 DMGJKCKEMUNMGD-UHFFFAOYSA-N 438.488 1.403 0 40 IDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c1 11858138 FQHWENLIOAGMPV-UHFFFAOYSA-N 426.472 1.571 0 40 IDAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)CC1 11905989 UNZBOIWOFHPUKJ-UHFFFAOYSA-N 444.531 1.025 0 40 IDAB C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1ccc[nH]1 12622608 DPIHNOBLJUNDCM-BJOHPYRUSA-N 435.285 1.775 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 14264464 DANJVVIFWRFWAK-UHFFFAOYSA-N 428.470 1.468 0 40 IDAB CC(=O)O[C@@H]1[C@H](OC(=O)c2ccccc2)C=C[C@@H](O)[C@@]1(O)COC(=O)c1ccccc1 14489547 WTFRADBWXYQLMA-URFJDIBFSA-N 426.421 1.663 0 40 IDAB biogenic,in-vitro Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 16032933 AKRMSGHMOGSAMH-XVIHEJCXSA-N 446.507 1.224 0 40 IDAB biogenic CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 22134282 NDQBSGMNFOGAKI-UHFFFAOYSA-N 438.531 1.664 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(CC(=O)Nc3cccc(F)c3)CC1)C2=O 22788836 BEIIGFGYNKQSDK-OPAMFIHVSA-N 431.512 1.840 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccccc1Cc1ccccc1 22803902 QSXVWMHQUZDIRK-UHFFFAOYSA-N 436.556 1.692 0 40 IDAB CCOC(=O)N1CCN(C[C@@H](O)COCCOc2ccccc2Br)CC1 23109579 HYSKOQPBTMNYKH-OAHLLOKOSA-N 431.327 1.980 0 40 IDAB NC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(Br)o3)CC2)s1 23141532 PNJKGWKHDIKVTO-UHFFFAOYSA-N 432.325 1.433 0 40 IDAB CCOC(=O)C1=C(CSc2nnnn2C[C@H]2CCCO2)NC(=O)N[C@@H]1c1ccccc1 29798596 MXKXHHDJIPDPJL-RHSMWYFYSA-N 444.517 1.816 0 40 IDAB C[C@@]1(c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)NC(=O)NC1=O 32818928 XSOHLNIPYHKYDG-FQEVSTJZSA-N 428.470 1.669 0 40 IDAB CN(C)C(=O)CN1CCN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)CC1 35361565 BPZTVPIDEXWTJF-UHFFFAOYSA-N 442.589 1.528 0 40 IDAB CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 72260191 VEDFETYLRWXLHI-UHFFFAOYSA-N 444.923 1.574 0 40 IDAB COc1ccccc1CNC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326328 DHFHVDXZESJFGG-WNSKOXEYSA-N 437.500 1.659 0 40 IDAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 96115964 YEXMHPKHBKMNEG-SFHVURJKSA-N 432.440 1.377 0 40 IDAB biogenic CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCc4cccc(F)c4)cn23)C1 96156750 NHDIKJQDZNNBRT-GOSISDBHSA-N 439.495 1.769 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC3(CC2)O[C@@H](C(=O)N(C)C)Cn2ccnc23)cc1 96243580 NBFFLLQBQRQGHP-QGZVFWFLSA-N 434.518 1.059 0 40 IDAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)nc12 100724044 HVJHKAVTDOABKM-CPLUKWAASA-N 447.495 1.105 0 40 IDAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)c1 101361129 UFHDQKZEMIEXQO-DBHNTLKXSA-N 443.408 1.129 0 40 IDAB O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)NC[C@@H]1CCCO1 101486169 DNYAZPSSXZBRBH-KSZLIROESA-N 437.562 1.183 0 40 IDAB Cc1cc2ncc3c(n2n1)CCN(C(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C3 208035654 YEYAJVCDAZGEFD-UHFFFAOYSA-N 433.921 1.944 0 40 IDAB Cc1nc(CCNC(=O)[C@@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC23CCOCC3)no1 585102002 VJXHXPQQUHSYGG-ZDUSSCGKSA-N 442.442 1.707 0 40 IDAB Cc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1S(N)(=O)=O 677621144 IEBLAYJBQTUKQQ-INIZCTEOSA-N 441.431 1.975 0 40 IDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888885438 ITHDLSDKJCEUEX-ZMPRRUGASA-N 432.496 1.651 0 40 IDAB Cc1cc(C)nc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1 1311807 BNULIJUNCUMUHK-UHFFFAOYSA-N 443.577 1.869 0 40 IDAB COC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)C1 3193199 KYNUNUWZBYWGBH-GXTWGEPZSA-N 438.531 1.256 0 40 IDAB COC(=O)c1sc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(C(=O)OC)c1C 3289658 YZFPWJFROOBFDO-LBPRGKRZSA-N 441.483 1.604 0 40 IDAB CCOC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@@H]1N[C@H](C(=O)O)CS1 4768998 XLRLBFNBLXQLPR-XKGZKEIXSA-N 428.510 1.982 0 40 IDAB COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1 8636247 DFIGAIACRAZAFY-JAXLGGSGSA-N 431.650 1.630 0 40 IDAB biogenic,in-vitro CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2OC)n(C)c1=O 9156832 GNSJCJAWSYCHRI-ZDUSSCGKSA-N 427.461 1.256 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N(CC)CC)cc12 9223479 VXUWWNJKKZZJCN-OAHLLOKOSA-N 434.562 1.773 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N(C)C)cc3)c2)CC1 9255598 NDOXKRFUSZTNED-UHFFFAOYSA-N 430.530 1.858 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 9667407 HYYUBUBMTPAPNC-GOSISDBHSA-N 431.514 1.726 0 40 IDAB COc1ccccc1N1CCN(C(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)CC1 11859497 YVKLOEARMIKXCG-INIZCTEOSA-N 443.525 1.970 0 40 IDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(CN2C(=O)C(=O)N(C)C2=O)cc1 12789859 BJBYCRHIGFLNFK-UHFFFAOYSA-N 436.468 1.935 0 40 IDAB O=C(CSC1=NCCS1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12884780 KCGHJVSAYWUTAP-UHFFFAOYSA-N 425.601 1.844 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(S(=O)(=O)N(C)OC)c1 13001966 XIFMZZODWKRYQA-UHFFFAOYSA-N 430.486 1.767 0 40 IDAB CCN(C(=O)CN(C)Cc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13134618 DEQXBBZVZOXBBN-UHFFFAOYSA-N 435.528 1.960 0 40 IDAB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(=O)OC)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 16034906 IDWZRTKBFDVXBZ-NMLBUPMWSA-N 447.447 1.915 0 40 IDAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)ccc21 16831319 OPMJJMIEWZDMOP-FQEVSTJZSA-N 429.542 1.812 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2cnccn2)CCO1 19703031 CUEVRHZHUUEQDF-OAHLLOKOSA-N 427.486 1.676 0 40 IDAB Cc1nc([C@H]2CCN(C(=O)CN3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19738882 QMKOISDTFOKTCO-FQEVSTJZSA-N 449.555 1.913 0 40 IDAB CCn1cc(S(=O)(=O)N2CCO[C@@H](c3cc(C(=O)NC)c4ccccc4n3)C2)c(C)n1 19762159 MQYHOBPXUIAMLQ-LJQANCHMSA-N 443.529 1.881 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 20457587 WCTJOKGWIRGARY-INIZCTEOSA-N 430.910 1.669 0 40 IDAB Cn1c(=O)c2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)cnc2n(C)c1=O 22766847 BBKPXZACOQMWRV-GOSISDBHSA-N 441.919 1.853 0 40 IDAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1 22851261 LFEZKKPDFGVIIF-SFHVURJKSA-N 428.464 1.598 0 40 IDAB COc1ccc(CCNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 23077390 JSGIEGKMFPZZQB-UHFFFAOYSA-N 428.485 1.914 0 40 IDAB CCCn1nc(C(=O)O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)ccc1=O 23870093 HSAHWCJZSMYECB-SNVBAGLBSA-N 440.378 1.371 0 40 IDAB CCOC(=O)C1=C(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)NC(=O)N[C@@H]1CC 32541455 GKYINJJTHZQVNB-QGZVFWFLSA-N 447.511 1.290 0 40 IDAB CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3ccc(O)c(C(=O)O)c3)sc2c1 32610492 KQKSWIJYUADMDZ-UHFFFAOYSA-N 428.469 1.904 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3nnc4ccccn34)C2)s1 32903926 MKVUZFHZJKUHBI-OAHLLOKOSA-N 433.559 1.859 0 40 IDAB C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCO[C@H](C)C4)nc3)cn2)CCO1 48287977 GAMWQFGQIWCWQN-HDICACEKSA-N 440.548 1.926 0 40 IDAB O=C(NCc1cccnc1N1CCOCC1)Nc1ccc(N2CCCS2(=O)=O)cc1 48354566 WCRYXHABQNLBBQ-UHFFFAOYSA-N 431.518 1.780 0 40 IDAB Cc1ccc2c(c1)N(C(=O)Cn1cc(S(=O)(=O)N3CCCCC3)ccc1=O)CCO2 49410449 YBJOYTZOOVMKEE-UHFFFAOYSA-N 431.514 1.757 0 40 IDAB COc1ccc(-n2c(O)nc3nc(N4CCN(c5ncccn5)CC4)ncc3c2=O)cc1 67264236 CHPCXDRIXXDBCF-UHFFFAOYSA-N 432.444 1.007 0 40 IDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(c2n[nH]c(C3CC3)n2)CC1 69947085 WTWIXWZXQAMRMS-CYBMUJFWSA-N 444.561 1.487 0 40 IDAB Cn1cnnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 96099665 SWYPQQOFFIJCDR-UHFFFAOYSA-N 438.453 1.461 0 40 IDAB CCCCNC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1ccccn1)Cn1ccnc12 96243871 ZMPRHESQCOJZOF-GOSISDBHSA-N 426.521 1.794 0 40 IDAB Cn1ncc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc(Br)n2)(C4)C3)c1C(N)=O 101115123 LVOVWXCZVAOVBB-BASMTZLZSA-N 448.325 1.807 0 40 IDAB Cc1cc(C)n(CCC(=O)NCc2ccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)cc2)c(=O)n1 257328405 XFMXCOBPRNGYIV-JBACZVJFSA-N 439.516 1.673 0 40 IDAB COc1ccc(CNS(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 408608807 SKDYLRKWLIQEGY-INIZCTEOSA-N 434.514 1.800 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 408624522 QPXHRKGXVUYAFJ-CYBMUJFWSA-N 447.941 1.706 0 40 IDAB Cc1c(C)[n+]([O-])c([C@H](c2ccc(C(C)C)cc2)C2C(=O)NC(=O)NC2=O)n1CCN(C)C 524734680 CCMSMXIOXFFQHW-GOSISDBHSA-N 441.532 1.537 0 40 IDAB CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(C)c1ncc(C(=O)OC)s1 534906602 YGTRPCBNPHXOCD-UHFFFAOYSA-N 449.532 1.525 0 40 IDAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N3)cc1 3623587 YBTUXVJMISFPKI-LJQANCHMSA-N 445.357 1.369 0 40 IDAB COc1cc2nc(SCC(N)=O)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC 4176358 MCIXIDFHXRWRCT-UHFFFAOYSA-N 441.517 1.928 0 40 IDAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 9048332 OOXIDLCDIOGFCJ-GOSISDBHSA-N 432.498 1.206 0 40 IDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2cn(C)nc2C)c2cc(Br)ccc21 9341545 RKJFBUGRVLPEOQ-HNNXBMFYSA-N 434.294 1.331 0 40 IDAB CN(C)CCCNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 9741427 GBAQOLMVPSRFFM-KRWDZBQOSA-N 441.550 1.586 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)cn23)n(C)c1=O 10271846 TUVOQXUINSRMGQ-UHFFFAOYSA-N 425.445 1.409 0 40 IDAB CCCc1cc(O)nc(SCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)n1 11438142 NIQQWMQVDPKYHT-HXUWFJFHSA-N 445.501 1.734 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](c2cn(C)nc2C)NS(=O)(=O)N1C 12131320 RVRRFXYTTKGWNI-HIFRSBDPSA-N 427.914 1.609 0 40 IDAB COC(=O)CN(c1nc(C)c(Br)c(OC)n1)S(=O)(=O)c1ccccc1 13151722 PYVMLRADOBITNR-UHFFFAOYSA-N 430.280 1.924 0 40 IDAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 16046232 VSKLDTNDDFEVPL-UHFFFAOYSA-N 439.394 1.880 0 40 IDAB C[C@@H](NC(=O)COc1cccnc1)C(=O)N1Cc2ccccc2OC2(CCOCC2)C1 19079607 BFNGYIJLTZHHEP-QGZVFWFLSA-N 425.485 1.936 0 40 IDAB COCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699874 SZNKGVGVQSOARS-LJQANCHMSA-N 428.533 1.601 0 40 IDAB Cc1c([C@H](C)NC(=O)Cn2cccc(C(=O)NCc3ccc(F)cc3)c2=O)cnn1C 19750600 OQJFLMXUEJQJAO-AWEZNQCLSA-N 425.464 1.837 0 40 IDAB CC(C)NC(=O)c1cc([C@@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)nc2ccccc12 19762813 SDZPQRLXLAFIND-FQEVSTJZSA-N 448.545 1.323 0 40 IDAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCCCN1CCOCC1 19935508 GMXMADSSOSHALZ-UHFFFAOYSA-N 445.969 1.342 0 40 IDAB CCN1CCN([C@H](CNS(=O)(=O)c2ccc(OC)c(OC)c2)c2cccnc2)CC1 22784437 LGEWAZWXXKVYEK-LJQANCHMSA-N 434.562 1.756 0 40 IDAB CCn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nc2c(C)nn(C)c2c1=O 28559050 HGBUSNCURBMNAF-UHFFFAOYSA-N 428.468 1.325 0 40 IDAB CN(Cc1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 31772771 RQSCNBKTKGAAHW-GOSISDBHSA-N 443.568 1.468 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCCCC1 36384557 AEHYFGORQBPUCZ-UHFFFAOYSA-N 436.397 1.829 0 40 IDAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 58224645 JZOJMRRCSHYJRA-CYBMUJFWSA-N 433.472 1.518 0 40 IDAB CCN(C(=O)CNC1(C(=O)OC)CCS(=O)(=O)CC1)c1nc2ccccc2s1 79109434 XIMDFUPLOHDTEB-UHFFFAOYSA-N 425.532 1.359 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(CC[C@H](O)c3ccccc3)c1)c(=O)n2C 95348886 XWQOMRMHZRJYMM-IBGZPJMESA-N 447.495 1.739 0 40 IDAB Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccccn5)CC4)c3CO2)cc1 97943619 PZSNOTYYPKUVCN-FQEVSTJZSA-N 432.484 1.851 0 40 IDAB Cc1cc(OC2CN(C(=O)CNS(=O)(=O)c3cccc(F)c3)C2)cc(=O)n1C1CC1 245180694 ZGYGSUNTSHAPRU-UHFFFAOYSA-N 435.477 1.199 0 40 IDAB Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CCCC4)[C@@H](C(=O)NC(C)(C)C)[C@@]34C=C[C@H]2O4)no1 245227371 KSBRUNIMBIHUGB-UOCQJXFKSA-N 442.516 1.929 0 40 IDAB Cc1cc2nc(C)n(CC(=O)N3CC[C@@](C)(O)[C@H](n4cc(C)c(O)nc4=O)C3)c2cc1C 257285800 PIXYEQCPSJRJJP-AUSIDOKSSA-N 439.516 1.757 0 40 IDAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 390825819 GMXJFLQAQXTQCA-GOSISDBHSA-N 434.518 1.725 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)co1 534741369 VCYFOUGTHRQBOP-CQSZACIVSA-N 431.392 1.520 0 40 IDAB CCn1nc(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c(=O)c2ccccc21 552714439 UAHIDSJOCWAWFE-CQSZACIVSA-N 446.554 1.919 0 40 IDAB C[C@]1([C@@H]2CCCN(C(=O)CCSCc3nc(O)c4ccccc4n3)C2)NC(=O)NC1=O 610659347 OGRODXYAZRQNFX-LRTDBIEQSA-N 443.529 1.795 0 40 IDAB CC(=O)N1CCN(Cc2cccnc2)CC=CCOC[C@H](O)[C@H](O)[C@@H](OCCC(C)C)C1 1615157970 DCEDCQUNIIKGJC-HJOGWXRNSA-N 449.592 1.472 0 40 IDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)c3c(C)noc3C)C2)n(C(C)C)n1 2332241491 ZXQOZCWTUPBFBB-RRFJBIMHSA-N 427.527 1.586 0 40 IDAB CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)o1 2457014 ZSFDUIBEVPCLQN-VXGBXAGGSA-N 426.520 1.983 0 40 IDAB O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCN(C(=O)C2CC2)CC1 8771017 YQBUBAYAIOIACR-UHFFFAOYSA-N 434.345 1.743 0 40 IDAB Cn1cnc2c(=O)oc3ccc(S(=O)(=O)N4CCN(C(=O)c5ccco5)CC4)cc3c21 9153053 NZQSDMYSPBTVBI-UHFFFAOYSA-N 442.453 1.419 0 40 IDAB Cc1cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1-c1ccc(Oc2ccccc2)cc1 9713050 MTEOEGOMVDMNFS-UHFFFAOYSA-N 444.451 1.725 0 40 IDAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nnc1N1CCOCC1 9729365 COULEMJASMHCTE-CQSZACIVSA-N 430.534 1.991 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)cn23)n(C)c1=O 9829420 HOROVUMKMCWCBL-UHFFFAOYSA-N 429.864 1.972 0 40 IDAB Cn1c(-c2ccc3c(c2)OCO3)cnc1NC(=O)CCC(=O)N1CCC(C(N)=O)CC1 9851546 ITXYFYJPRSROBQ-UHFFFAOYSA-N 427.461 1.258 0 40 IDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CN1C(=O)C(=O)N(C2CCCC2)C1=O 12557966 IGLSTUHMXFCOOL-UHFFFAOYSA-N 443.504 1.084 0 40 IDAB C[C@H]1CCCCN1CCCNC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 13118031 DIVFGELCRRIUFC-HNNXBMFYSA-N 431.566 1.935 0 40 IDAB CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C(=O)NCCC(=O)O)cc3)cc2C[C@@H]1C 13460094 VPDQUPRHVSYVEK-ZDUSSCGKSA-N 445.497 1.989 0 40 IDAB COc1ccccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(S(C)(=O)=O)CC2 19568743 MNMBSQDKAHQFNT-KRWDZBQOSA-N 446.529 1.464 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3cccc(F)c3)[nH]c(=O)c2C1 19592889 OVMKXYBUCCOFOB-IBGZPJMESA-N 442.491 1.736 0 40 IDAB COCCNC(=O)c1cc([C@@H]2CN(C(=O)c3snnc3C)CCO2)nc2ccccc12 19759771 ZYPYBUZYIHSUED-SFHVURJKSA-N 441.513 1.985 0 40 IDAB O=C(CSc1nnc(NC2CC2)s1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 21642937 LGOHTQAQYOOGSZ-OLZOCXBDSA-N 432.593 1.399 0 40 IDAB O=C(NCCc1ccc(C(F)(F)F)cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 22374025 HJJCZERWTGDZNH-AWEZNQCLSA-N 431.436 1.530 0 40 IDAB CCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)NC4CCCC4)c(=O)c3s2)C1 33141267 PBUNKIAJUVEMFG-CYBMUJFWSA-N 432.550 1.264 0 40 IDAB CCCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 35375299 UXKZVKPESZJUQE-ZCBXCUIVSA-N 436.306 1.350 0 40 IDAB Cc1nn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nc2s1 36395297 LJQZPVQLWLKNED-UHFFFAOYSA-N 439.950 1.619 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 36398509 CKEYXRJGQBTQED-UHFFFAOYSA-N 432.458 1.376 0 40 IDAB CN(CC(=O)Nc1nnc(SCC(=O)Nc2cccc(Cl)c2)s1)S(C)(=O)=O 70635025 NYMJCMZCKHTYLY-UHFFFAOYSA-N 449.967 1.752 0 40 IDAB CCNC(=O)C1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)C1 72314341 CBJBBDQWDUMXFC-UHFFFAOYSA-N 444.351 1.442 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1 77101307 PHBKAEYTGCPHRJ-UHFFFAOYSA-N 427.486 1.439 0 40 IDAB O=S(=O)(NC[C@]1(O)CCc2ccccc21)c1ccc(N2CCCCS2(=O)=O)cc1 77200875 SJGKPQGRXXCKDP-HXUWFJFHSA-N 436.555 1.729 0 40 IDAB CN(C)C(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CC1 95947884 CRUXWFYXTKGDOZ-IBGZPJMESA-N 443.548 1.195 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)cc21 96104451 OQODCYAGCTYMIB-UHFFFAOYSA-N 442.902 1.632 0 40 IDAB COC(=O)C[C@@H](c1c(O)cc(C)n(CC(=O)O)c1=O)c1cc2ccccc2n(C)c1=O 96221697 MZSQYROFOZIGGU-CQSZACIVSA-N 426.425 1.494 0 40 IDAB biogenic CC(C)C[C@H](C(=O)Cc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100971837 ZDSUGXMZPJTIJK-QHOFPYNOSA-N 430.526 1.667 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](N2CCc3ccccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 101509220 RTRYJIOTUZUULJ-POHUPDAJSA-N 449.456 1.132 0 40 IDAB COc1ccc(/C=C2/NC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 105255668 LXKKKRIZMXDVFD-MHWRWJLKSA-N 446.510 1.039 0 40 IDAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)CC(C)(C)O2 219267355 JUIYQQPGHAFWPY-YOEHRIQHSA-N 425.551 1.932 0 40 IDAB C[C@@]1(O)COC2(CCN(C(=O)c3cc4ccc(F)cc4[nH]3)CC2)C[C@H]1NS(C)(=O)=O 257231803 GIGVIDQNBCOYGU-IEBWSBKVSA-N 439.509 1.371 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCOCC3)C2)cc1C 408592823 LZGGUFQHBZPQKR-SFHVURJKSA-N 439.578 1.243 0 40 IDAB Cn1cnnc1-c1ccc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 522391926 BVHPOELMYZRIBK-UHFFFAOYSA-N 425.514 1.965 0 40 IDAB COCCn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3nccn3C)CC2)CO1 585101161 KLVDUFAEMVURTA-GOSISDBHSA-N 430.553 1.454 0 40 IDAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(C(=O)NCc2ccccc2)CC1 4375423 YQSOGHJBHORMOX-OAQYLSRUSA-N 426.492 1.927 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)cc1 9441876 MZKMOLNXIPKPDP-UHFFFAOYSA-N 441.531 1.625 0 40 IDAB CN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccccc1 9562793 BCZBFLGZVBGTRF-UHFFFAOYSA-N 434.470 1.233 0 40 IDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 9579762 VBSIEJQPLBEWOR-FQEVSTJZSA-N 448.479 1.367 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2C)cc1 9806831 QFCCXGUOHPLTNJ-MRXNPFEDSA-N 431.514 1.912 0 40 IDAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1cccc(Cl)c1N1CCOCC1 9906921 GRYILIOCPMAGFF-UHFFFAOYSA-N 443.685 1.428 0 40 IDAB Cc1c([C@@H]2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)N(C)S(=O)(=O)N2)cnn1C 12130927 LPOKHCWVYNLQJM-GJZGRUSLSA-N 431.440 1.966 0 40 IDAB O=C(NCCNS(=O)(=O)c1cccc2nsnc12)c1ccc(Br)o1 12409952 YYLDHPBUOQWZDH-UHFFFAOYSA-N 431.293 1.755 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)c1 12569349 ZMGUORZZFJIZEF-UHFFFAOYSA-N 429.542 1.902 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c(-c2cccnc2)n1 12671303 XGGGCWXPPFQZHA-UHFFFAOYSA-N 429.477 1.768 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3c(=O)n(C)c4ccccc43)CC2)cc1 12868367 BRRRYVIVKRNFSL-UHFFFAOYSA-N 442.541 1.572 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(F)cc2N1 12977488 FOYLJVDNGAXTPQ-QGZVFWFLSA-N 435.452 1.924 0 40 IDAB CCc1nn2c(=O)cc(CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)nc2s1 13127964 FPDDGVXNTOOQHV-VIFPVBQESA-N 427.533 1.366 0 40 IDAB COc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@]34C=C[C@H]2O4)cc(OC)c1OC 13628335 DBJBXZBUIBMHFA-DDJSQEQTSA-N 441.440 1.934 0 40 IDAB COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(C[C@@H]5CCCO5)C(=O)[C@H]24)O3)cc(OC)c1OC 15905312 LQAIALVFPHCXFW-YWKIXLFMSA-N 444.484 1.612 0 40 IDAB COc1ccc2c(C)c(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c1C 16043222 NFJJOJBDOUCKFD-OAHLLOKOSA-N 433.461 1.369 0 40 IDAB biogenic CCCCN1C(=O)c2ccc(C(=O)OCC3=C(C(=O)OCC)CNC(=O)N3)cc2C1=O 16250289 CQKHFNCAKFOIAP-UHFFFAOYSA-N 429.429 1.370 0 40 IDAB CCOC(=O)N1CCN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 16478494 IIPMQUQDHSDZJW-UHFFFAOYSA-N 446.957 1.693 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)C1 17748093 SLRRFABZUSIOOD-SOLBZPMBSA-N 438.546 1.900 0 40 IDAB CN(C)S(=O)(=O)N1CCc2c(nc([C@@H]3CCCN3C(=O)c3cccc(F)c3)[nH]c2=O)C1 19583824 YZAQWNZMIDFNOO-KRWDZBQOSA-N 449.508 1.051 0 40 IDAB CN1CCN(c2nccc(CN(CCCN3CCOCC3)Cc3cccnc3)n2)CC1 19590136 BHGBDEQQYZEXIM-UHFFFAOYSA-N 425.581 1.348 0 40 IDAB CNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCO1 19696691 KNAZIUOACXKTAJ-HNNXBMFYSA-N 426.498 1.726 0 40 IDAB O=C([C@H]1CCCO1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699457 CIPRBZOIOUNUOT-HXUWFJFHSA-N 440.544 1.743 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccccc1OC 19817945 DLXCTVLIPLEHDG-SJORKVTESA-N 432.477 1.176 0 40 IDAB COc1ccc(OC[C@@H](O)CN2CCN(C[C@H](O)COc3ccc(OC)cc3)CC2)cc1 19882315 AAUPHOUSNSWUKE-PMACEKPBSA-N 446.544 1.501 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@@H]1c1cccs1 20559126 LWUVKDRKCBVURF-GOSISDBHSA-N 444.513 1.970 0 40 IDAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(CC(=O)N2CCCC2)CC1 22927368 OAYUUWMXJXVDTG-LJQANCHMSA-N 429.565 1.090 0 40 IDAB CNC(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(CCc3ccc(OC)cc3)C2=O)c1 24146056 LMDBKKQRAJBXDA-HSZRJFAPSA-N 438.484 1.937 0 40 IDAB C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCc1nc(-c2ccccc2)no1 25107948 PCZHNKFHYUQEBD-CYBMUJFWSA-N 432.440 1.337 0 40 IDAB COCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 27914503 PMYQFZPSNHPEKY-UHFFFAOYSA-N 446.529 1.143 0 40 IDAB COCCNC(=O)[C@@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 36579840 YVYIAWMOHAULTK-QQFBHYJXSA-N 443.541 1.178 0 40 IDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N1CCN(Cc3ccccc3)CC1)O2 38850819 BZXOOEYBPVCFNU-OAQYLSRUSA-N 429.542 1.866 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2nc(N3CCOCC3)ncc2Cl)c1 40140185 ZUTWVNNQADXFHD-UHFFFAOYSA-N 425.898 1.469 0 40 IDAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)o1 40142131 VBOYQRMNEXRCEN-RYUDHWBXSA-N 437.440 1.580 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)cc1 40156521 GGHZKSYNDMMNFR-UHFFFAOYSA-N 437.566 1.180 0 40 IDAB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)N1CCC(N2CCNC2=O)CC1 58174530 INDBKPQYKFCJOA-LJQANCHMSA-N 428.581 1.786 0 40 IDAB COC(=O)[C@H](C)CN(C)S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl 89895834 ZISFLZRDOQMDKV-ZCFIWIBFSA-N 441.687 1.967 0 40 IDAB CCOc1ccc(NC(=O)COC(=O)c2ncsc2S(N)(=O)=O)cc1OCC 96012734 TXNRKSHCNCIMFT-UHFFFAOYSA-N 429.476 1.383 0 40 IDAB CN1CCN(CC2(C)CCN(CC(=O)Nc3ccccc3SCC(N)=O)CC2)CC1 96014163 NLZLYAKHEQRVKC-UHFFFAOYSA-N 433.622 1.552 0 40 IDAB CC(C)n1c(C(=O)N2CCN(c3ccccc3)CC2)nc2c1CCN(S(C)(=O)=O)C2 96147140 WUMDRTIDPIWXTM-UHFFFAOYSA-N 431.562 1.744 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)/C=C/c2cccs2)sc2cc(S(N)(=O)=O)ccc21 100876711 NVKUMVLXTIOCGO-CCHZAIEZSA-N 437.524 1.725 0 40 IDAB COc1cccc(N2C(=O)[C@H]3C[C@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C=C[C@H]3C2=O)c1 221844174 XQNXNMMTUFNFLS-RLLQIKCJSA-N 446.463 1.702 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC 223860164 BVRXEDPEQWBRLU-CYBMUJFWSA-N 440.543 1.888 0 40 IDAB CC(=O)Nc1ccc(CN2CC3(C2)C(=O)N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H](O)CN23)cc1 225386497 OLBFEXJNYOUVOU-YADHBBJMSA-N 448.523 1.204 0 40 IDAB biogenic,in-vitro COC(=O)c1cc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc(C(=O)OC)c1 408612521 SAGZBFFWXQPFLQ-UHFFFAOYSA-N 448.497 1.703 0 40 IDAB COCCn1c(NC(=O)Cc2cnn(C)c2C)c(NCc2ccccc2)c(O)nc1=O 569506890 AWLTUKILDNCMDN-UHFFFAOYSA-N 426.477 1.431 0 40 IDAB COc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1 575426745 ZEEJKIVRUQVNPO-JKSUJKDBSA-N 427.500 1.057 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](CCO)[C@@H](CO)C3)c2)cc1 1159697326 NKRMBANLNLUNRH-IAGOWNOFSA-N 448.541 1.867 0 40 IDAB Cc1ccc(CC(=O)NC[C@H]2OC[C@@H](n3ccc(O)nc3=O)[C@@H]3OC(C)(C)O[C@@H]32)cc1 2037977821 LXCSSEHZTYKDLO-YAJHFMINSA-N 429.473 1.076 0 40 IDAB O=C(CN1C(=O)C2(OCCO2)c2ccccc21)CN1C(=O)C2(OCCO2)c2ccccc21 1785009 IQPNVBPLBSLWRD-UHFFFAOYSA-N 436.420 1.048 0 40 IDAB CCOC(=O)[C@@]1(Cc2ccc(O)cc2)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@H]21 4354312 CLJUXOSYNIMXSO-KGYLXKDPSA-N 426.444 1.951 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(N)=O)CC1 8971170 JAQOPFGIABGLHP-IIMJZQEZSA-N 446.523 1.433 0 40 IDAB CCOC(=O)c1ccc(-n2c(C)cn3c4c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c4nc23)cc1 9713053 WUHLDBXRKPDDMZ-ZDUSSCGKSA-N 437.456 1.774 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)c(=O)[nH]c1=O 9953385 DRJROSQNPLRHDP-MRXNPFEDSA-N 441.532 1.887 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1OC 11858293 XSSJCYIJVZIPPM-UHFFFAOYSA-N 440.499 1.880 0 40 IDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1 12222487 NNTFPSUGPUATCT-MRXNPFEDSA-N 444.513 1.150 0 40 IDAB CCOC(=O)CC(=O)N1CCC(c2nc(=O)c3nnn(Cc4ccc(F)cc4)c3[nH]2)CC1 13565527 YQBLNMOKJXNMMF-UHFFFAOYSA-N 442.451 1.361 0 40 IDAB COC(=O)C1CCN(C(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)CC1 13613428 TZAWYPUGBAMUCZ-UHFFFAOYSA-N 447.351 1.935 0 40 IDAB COc1ccc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc1S(=O)(=O)NC(C)C 14519087 IZOMOCPPKZRMAH-UHFFFAOYSA-N 430.490 1.825 0 40 IDAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)c12 15955722 HRNPKYUCURCTCA-OAQYLSRUSA-N 432.473 1.774 0 40 IDAB biogenic C[C@@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc2c(c1)OCO2 17123263 ZNVUNDZVHUEIBW-CYBMUJFWSA-N 431.445 1.930 0 40 IDAB O=c1ccc(-c2cccs2)nn1C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 19344476 SVACXQVDOIORAP-UHFFFAOYSA-N 431.495 1.989 0 40 IDAB Cc1sc2ncn(CC3(O)CCN(CC(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)c(=O)c2c1C 19561425 CMGRSHKVYDTXCL-HUUCEWRRSA-N 448.589 1.538 0 40 IDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H]2c2ncc(C(=O)NCc3ccccc3)c(C)n2)n1 19755245 ZPNSQJVHSCWIHS-FQEVSTJZSA-N 446.511 1.944 0 40 IDAB CC(C)OCCCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 22250299 BFRWVACAQIXHIU-UHFFFAOYSA-N 434.942 1.671 0 40 IDAB O=S(=O)(c1ccc(N2CCN(c3nc4ccccc4o3)CC2)nc1)N1CCOCC1 22760467 HPSJLFCPVRLSGW-UHFFFAOYSA-N 429.502 1.570 0 40 IDAB Cn1c(SCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)nnc1-c1ccncc1 25320485 CKWXQRYGBOFHGE-LJQANCHMSA-N 438.557 1.986 0 40 IDAB CN(C(=O)CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 33548605 HWDWJIAVOHSXBA-MKRLJBPISA-N 426.491 1.898 0 40 IDAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)c1 36354307 YHZOIOGHRJAEPV-OAHLLOKOSA-N 444.513 1.887 0 40 IDAB O=C1CCC(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)=NN1Cc1ccccc1 40129728 CUBBTKMSQFGVNU-KRWDZBQOSA-N 429.498 1.974 0 40 IDAB COc1cc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NCc3ccco3)CC2=O)cc(OC)c1OC 58052956 ZHFLAFYRDBLNSG-UONOGXRCSA-N 445.472 1.479 0 40 IDAB O=c1cc(-c2ccc(F)cc2)ncn1CCNS(=O)(=O)c1ccc2c(c1)OCCO2 70637563 JDVITORCDUEJFN-UHFFFAOYSA-N 431.445 1.799 0 40 IDAB CC1(C)OC(=O)C(=C2[C@H]3[C@H]4C[C@H]5[C@@H]3[C@H](C3C(=O)OC(C)(C)OC3=O)[C@H]3[C@H]2[C@@H]4[C@H]35)C(=O)O1 104206683 PHADMZAJWXLMAT-HZZXBCJGSA-N 428.437 1.575 0 40 IDAB C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 105380500 OKERUZQAHHXNIF-WKEQEPPJSA-N 439.899 1.684 0 40 IDAB biogenic Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(N3CCN(C)CC3)cc1)O2 113952883 VHKNZCIZCKFISI-OAQYLSRUSA-N 444.557 1.913 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 222425150 YHTWRGQVOQWRMN-GOSISDBHSA-N 446.573 1.771 0 40 IDAB CC[C@@H](C(=O)NCCN1CCOCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222495645 AAAGPJVINSJHEP-HNNXBMFYSA-N 433.958 1.342 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC2(CCN(Cc4nccs4)CC2)C3)cs1 306136114 PJPXYNUQCSLIJN-UHFFFAOYSA-N 430.559 1.513 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cncc(-n4ccnn4)c3)C2)cc1 555009771 ZNIXHXHDFWLEAD-QGZVFWFLSA-N 440.529 1.801 0 40 IDAB CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)Cn3ccccc3=O)N2Cc2ccccc21 2055746311 NFYCDDZJOFZJOP-UXHICEINSA-N 437.544 1.936 0 40 IDAB CC(=O)NC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1 1346152 KIKRVELLAQUWPG-UHFFFAOYSA-N 429.564 1.197 0 40 IDAB CC(C)CN(C(=O)c1nn(C)c(=O)c2ccccc12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3528632 ALRPQNPRCZHLMC-UHFFFAOYSA-N 440.504 1.325 0 40 IDAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 8843434 LCWAIOOZNMSNSX-DMVFFGLYSA-N 438.509 1.540 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)NC(=O)N[C@H]1C 9462889 ADDBGSIZQUFUTF-GOEBONIOSA-N 429.473 1.405 0 40 IDAB O=C(COc1ccccc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851760 FYZRBPLNIGEOSN-UHFFFAOYSA-N 429.484 1.997 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 10274082 GCHLJPROHBAOGF-HNNXBMFYSA-N 439.472 1.685 0 40 IDAB CCc1cccc(OC[C@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385239 AVURKLXJPPRVKU-QGZVFWFLSA-N 441.532 1.806 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2cc(OC)c(OC)cc2oc1=O)C(=O)O 11865637 CZDXKILKCGBBOE-PRWKNARSSA-N 448.472 1.393 0 40 IDAB biogenic Cc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCCN2S(=O)(=O)c2cccs2)cc1 12140269 HBEWFLHWYQHGJO-INIZCTEOSA-N 437.543 1.226 0 40 IDAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)N(C)C 12562823 ICPGMVLQDUFKIA-UHFFFAOYSA-N 434.518 1.235 0 40 IDAB O=C(Nc1cnc2ccccc2c1)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 12590422 ZIERDPFGUPMLOQ-INIZCTEOSA-N 445.522 1.953 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncnc5c4nnn5C)CC3)CC2=O)cc1C 13532867 XNSMCWXIUHYQQD-INIZCTEOSA-N 434.504 1.077 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc(N)cc(=O)[nH]2)c1 14180456 BKBURUOVRKQMRW-UHFFFAOYSA-N 445.954 1.767 0 40 IDAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 15518340 KSQKTCUQPSUZOU-FQEVSTJZSA-N 447.557 1.847 0 40 IDAB C[C@H](C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2)c1ccccc1 19459256 LUDXLEOTOURZKA-KSSFIOAISA-N 430.530 1.555 0 40 IDAB CC(=O)Nc1cc(C)c(S(=O)(=O)N2Cc3cn(C)nc3[C@H](C(=O)N(C)C)C2)cc1C 19701264 NUHGAXLMIAZUFK-MRXNPFEDSA-N 433.534 1.372 0 40 IDAB Cc1cnc2c(C(=O)N3CCO[C@@H](C(=O)N4CCN(c5ccccc5)CC4)C3)cnn2c1 19747238 ZJPHUIHCOVFOQU-HXUWFJFHSA-N 434.500 1.228 0 40 IDAB O=C(CN1CCOCC1)N1CCCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 19991911 PSNNPKFYAGIGCT-JOCHJYFZSA-N 429.542 1.941 0 40 IDAB Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 20458256 MHYHHQBDHFJXRV-UHFFFAOYSA-N 442.497 1.992 0 40 IDAB COc1cc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc(OC)c1OC 23134168 AHPINXHFLWVROZ-UHFFFAOYSA-N 438.488 1.646 0 40 IDAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(CC(=O)N2CCCC2)CC1 32731557 SAZWJDNRZVYWPE-UHFFFAOYSA-N 427.954 1.270 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1N1C(=O)C[C@H]2CS(=O)(=O)C[C@@H]21 32912721 JXYKRESUSZAOIM-BBRMVZONSA-N 428.532 1.020 0 40 IDAB C[C@@H]1NC(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)=NN(c2ccccc2)C1=O 33001813 LUSWYWUJKCYHKP-LSDHHAIUSA-N 428.514 1.948 0 40 IDAB CC[C@@H](C)C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc(C)ccc1C 35291084 QISLRHVBHDEYKR-OAHLLOKOSA-N 440.548 1.673 0 40 IDAB COC(=O)[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 40012891 IBARDHRNRXRCBT-CQSZACIVSA-N 436.534 1.358 0 40 IDAB COc1ccc(-n2ncc(C(=O)NCCC(=O)Nc3ccccn3)c2C(F)(F)F)nn1 40154448 KUUAOXYXLNQHKH-UHFFFAOYSA-N 435.366 1.843 0 40 IDAB O=C(CCn1cnc2sccc2c1=O)NCCS(=O)(=O)N1CCc2ccccc21 48235905 IBHPJXGBZFRWGG-UHFFFAOYSA-N 432.527 1.357 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc4nnc(C)n4c3)CC2)c1 58158300 GUGDEIIIEOKCKV-UHFFFAOYSA-N 445.501 1.202 0 40 IDAB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 58163360 YAKKRCWBPIXZCT-HNNXBMFYSA-N 449.504 1.930 0 40 IDAB CCN1CCN(C(=O)[C@@H]2CCC(=O)NC(=O)N2)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351399 MNNRJOYGPXTWSQ-LEWJYISDSA-N 448.523 1.944 0 40 IDAB CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)c1 72393299 OCFIVCBIVJSHTM-UHFFFAOYSA-N 447.488 1.531 0 40 IDAB CNC(=O)COC1CN(C(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)C1 79014469 ZBBMHZULBSZTQS-UHFFFAOYSA-N 432.498 1.658 0 40 IDAB O=S1(=O)CCN(C2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)CC1 95941960 YBMIGSWXMLJCKF-UHFFFAOYSA-N 442.481 1.469 0 40 IDAB CCOC(=O)c1csc(NC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)n1 96105287 CVAZBORMVASMCQ-LBPRGKRZSA-N 428.478 1.546 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222858362 TYZACBUQPUGYNW-INIZCTEOSA-N 435.521 1.751 0 40 IDAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225083839 IRVHZPRJFIHYQD-UHFFFAOYSA-N 448.453 1.945 0 40 IDAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)CN(C)[C@H]3CCS(=O)(=O)C3)nn2c1O 247976365 IPAKGPDUOJFWGH-YOEHRIQHSA-N 435.550 1.088 0 40 IDAB CC(=O)N[C@H]1CC[C@](CNC(=O)C2CCN(C(C)=O)CC2)(c2ccccc2)CC[C@@H]1O 257240435 HTMMVWAKDCZQET-FIXSFTCYSA-N 429.561 1.739 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCSCc1ccco1 408700055 AKFAPIBEUYLQHQ-UHFFFAOYSA-N 440.543 1.972 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N(c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1C 575421163 HAGBXGOGIWQJCW-ROUUACIJSA-N 425.528 1.671 0 40 IDAB CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCCN(c2ncccn2)C1 585271470 FTTYSIUJALGIKF-DEOSSOPVSA-N 441.576 1.651 0 40 IDAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)N1CCC[C@@H]1CO)C2 643576183 SCIDOFRZGQHPSB-LJQANCHMSA-N 433.549 1.550 0 40 IDAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 1515046 RKVSOILKCNMCED-GOSISDBHSA-N 433.917 1.978 0 40 IDAB COC(=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 3790465 DQPXNIBWDJBVFH-WOJBJXKFSA-N 438.480 1.621 0 40 IDAB COc1cccc(C(=O)NCCNCCNC(=O)c2cccc(OC)c2OC)c1OC 5759917 XJOIWEPUXWDDGP-UHFFFAOYSA-N 431.489 1.470 0 40 IDAB CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1 6088628 XEHQWOMGRRNVGP-MDZDMXLPSA-N 436.446 1.352 0 40 IDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 9442975 RPPKEWOTRCGUBA-FQEVSTJZSA-N 441.484 1.562 0 40 IDAB O=C(NCCc1nnc2ccc(SCC(=O)N3CCCC3)nn12)c1ccc(F)cc1 9578668 OFIDPADVAXWWSO-UHFFFAOYSA-N 428.493 1.950 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)c(=O)[nH]c1=O 9953389 DRJROSQNPLRHDP-INIZCTEOSA-N 441.532 1.887 0 40 IDAB O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c2ccccc2N1 12734823 OGONTRAAZYXYTR-HNNXBMFYSA-N 435.452 1.924 0 40 IDAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1C 12916556 JBKQVNOYCBJLGX-UHFFFAOYSA-N 430.486 1.326 0 40 IDAB CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)c(OC)c2)n(C)c1=O 13135603 DENRKYXFKDCUBI-UHFFFAOYSA-N 427.505 1.777 0 40 IDAB CN(CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)Cc1cnn(Cc2ccccc2)c1 14129230 BMBGUPRGDYQVHE-DEOSSOPVSA-N 446.511 1.862 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)Nc1ccccc1 17190650 DRVDEWCKCUSZRE-UHFFFAOYSA-N 430.420 1.974 0 40 IDAB CCN(C(=O)[C@@H](C)OC(=O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 18520081 VRFITMBRXMCQNK-DGCLKSJQSA-N 431.894 1.692 0 40 IDAB Cc1noc(C)c1CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 19580417 FFCUDYBQQFIMQJ-OALUTQOASA-N 440.548 1.945 0 40 IDAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21 19936589 UPPQZKFOCPZLER-UHFFFAOYSA-N 431.470 1.367 0 40 IDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NC[C@H](c1cccs1)N1CCOCC1 22373706 YYKUFECPIKNJGB-MRXNPFEDSA-N 448.570 1.366 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1C 22583016 OMZMUEHETMDIKM-UHFFFAOYSA-N 441.362 1.747 0 40 IDAB O=C1C[C@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CN1Cc1ccccc1Cl 23990105 XMCYRMKYNVUAFT-DLBZAZTESA-N 439.965 1.020 0 40 IDAB Cc1ccc(SCC(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 24760910 SWRJGBQHMKIXPA-UHFFFAOYSA-N 437.543 1.403 0 40 IDAB CCOC(=O)c1sc(NC(=O)CN2CCCN(C(C)=O)CC2)c(C(=O)OCC)c1C 27564561 PBLXOGFAFPYJCA-UHFFFAOYSA-N 439.534 1.903 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)OCC(=O)Nc1sccc1C(N)=O 32946446 JXZXRFJWZGGZJB-UHFFFAOYSA-N 425.488 1.201 0 40 IDAB CC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 34764446 FSJYCWNIBNKPAP-UHFFFAOYSA-N 432.546 1.770 0 40 IDAB CC[C@@H](C)NC(=O)COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 36187312 KEYARWKTIRYGHH-OAHLLOKOSA-N 442.534 1.754 0 40 IDAB CN1CCN(CCOc2ccc(NC(=O)C(=O)NCCc3cccc(O)c3)cc2)CC1 89382700 JZWKFLGFVZCUPL-UHFFFAOYSA-N 426.517 1.316 0 40 IDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C(OC(C)=O)OC(C)=O)C=C[C@H]3O2)c1 101361131 UFHDQKZEMIEXQO-PEOGOYOCSA-N 443.408 1.129 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 101498824 ZUCFXFUGGHQVNO-IXDOHACOSA-N 428.576 1.383 0 40 IDAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224650599 KRDCRJHYXRUMJA-MRXNPFEDSA-N 443.525 1.775 0 40 IDAB COc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 225158264 YXBOYOHENRVSRM-UHFFFAOYSA-N 434.470 1.715 0 40 IDAB O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3C(F)(F)F)[C@@H](O)[C@H]2O1)N1CCOCC1 225513971 KPCNPKIGGJAUKV-UZKILMIQSA-N 444.450 1.330 0 40 IDAB biogenic,in-vitro C[C@H](C(=O)N1CCN2CCCC[C@H]2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 253375252 PANPVAPPWJRXQF-NXMSCROESA-N 439.560 1.636 0 40 IDAB COC[C@@H]1O[C@@H](O[C@@H](CCCCCC(C)=O)CCCCCC(=O)O)[C@@H](O)[C@H](O)[C@H]1O 253534717 IBDPEULNUMJDEE-AOWGFEFVSA-N 434.526 1.400 0 40 IDAB biogenic,in-vitro O=C(Cc1ccc2c(c1)CCCO2)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 306123026 ACPRYIZKPZEQRE-SFHVURJKSA-N 443.525 1.439 0 40 IDAB CS(=O)(=O)N1CC[C@]2(Cc3nc(=O)c(C(=O)NCc4cccc(Cl)c4)cn3C2)C1 306137188 QODSJPQXYXOXGH-LJQANCHMSA-N 436.921 1.035 0 40 IDAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3nccs3)C[C@H]2N1Cc1ccccn1 306137272 QRJBHEBASGBNDM-HZPDHXFCSA-N 429.527 1.769 0 40 IDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4ccc5c(c4)OCO5)C[C@H]32)cc1 306141158 VMTFRXJMPOIACG-OALUTQOASA-N 432.480 1.720 0 40 IDAB COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Br 408591678 JXFQPWAZRSGEQZ-ONNFQVAWSA-N 447.625 1.632 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCCCN1CCOCC1 408597982 YMSBBWNLRQLGGL-UHFFFAOYSA-N 439.578 1.387 0 40 IDAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)nc1 503317808 KSMRMWZNQYIPGS-AWEZNQCLSA-N 437.456 1.537 0 40 IDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 511936820 BFFJWGTUOUIFKX-CQSZACIVSA-N 426.496 1.642 0 40 IDAB O=c1c(-c2ccc(O)cc2)coc2c(O[C@@H]3O[C](CO)[C@@H](O)C(O)=C3O)c(O)ccc12 1560408817 OTNKMKKSFQCCES-IERDGZPVSA-N 429.357 1.819 0 40 IDAB CCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)[C@@H]1CCS(=O)(=O)C1 3290275 OHOYKPAHDFYDQV-GFCCVEGCSA-N 425.488 1.593 0 40 IDAB CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 8629519 XXIQFPBMBSZDPC-OAGGEKHMSA-N 426.535 1.802 0 40 IDAB CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Br)cc2)n(C)c1=O 9156923 YZDDXWDZMJHKDD-UHFFFAOYSA-N 432.278 1.790 0 40 IDAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O 9665847 RDJBEFCOUWCMQX-UHFFFAOYSA-N 427.379 1.844 0 40 IDAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N3)CC1 12390246 HVOUXQYAZLYRSU-ZDUSSCGKSA-N 444.879 1.190 0 40 IDAB CCCCN(C(=O)c1nn(C)c(=O)c2ccccc12)c1c(N)n(CCCC)c(=O)[nH]c1=O 13042475 SPVMPAWQNXREOO-UHFFFAOYSA-N 440.504 1.613 0 40 IDAB CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)C[C@H]4C=CCC4)CC3)n2)CC1 19590131 GSNROQPLMUFXMF-KRWDZBQOSA-N 447.605 1.694 0 40 IDAB COCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(C(=O)c4scnc4C)CC3)nc21 19742987 TZFUBKKBFCFIGG-UHFFFAOYSA-N 443.529 1.526 0 40 IDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21533802 WOSLRWUYLYXFMQ-UHFFFAOYSA-N 447.417 1.843 0 40 IDAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 22782017 FLOPALKNHRJPSC-UHFFFAOYSA-N 449.621 1.587 0 40 IDAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23074084 FCFXIAUXWZKLSU-RDJZCZTQSA-N 435.502 1.348 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)Cc1cnn(C)c1)n2C 24478804 ZSIZUWFEOBVHCP-UHFFFAOYSA-N 446.577 1.929 0 40 IDAB C[C@@H](OC(=O)CCn1ncc(=O)c2ccccc21)C(=O)c1ccc(NS(C)(=O)=O)cc1 32829236 NGVSYUDNDYKGLV-CQSZACIVSA-N 443.481 1.973 0 40 IDAB O=C(CCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cccnc1 44902025 RDCVJSMJWBSXHQ-UHFFFAOYSA-N 434.493 1.863 0 40 IDAB Cc1nc2ccc3nc(NC(=O)Cn4cnc5c4c(=O)n(C)c(=O)n5C)sc3c2s1 48984725 WWBRHVNTTKASCH-UHFFFAOYSA-N 441.498 1.600 0 40 IDAB Cc1c(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)cccc1-n1cnnn1 69950380 FYZOWSDSCJOSPR-UHFFFAOYSA-N 441.498 1.835 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc([S@](C)=O)c(F)c3)C2=O)cc1 78879233 ZMICVCUDUSFFLV-PRAQEBQASA-N 433.461 1.977 0 40 IDAB COCCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 84678166 CVGPIUGKDFLQDC-ZDUSSCGKSA-N 427.548 1.243 0 40 IDAB CC(=O)CN1CC2(CCN(C(=O)c3cc(C)n[nH]3)CC2)COc2ccccc2S1(=O)=O 96145209 IBBMAYYWTANRMZ-UHFFFAOYSA-N 446.529 1.613 0 40 IDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 96893644 IMQRCNYDIMCERJ-WOJGMQOQSA-N 438.527 1.634 0 40 IDAB CS(=O)(=O)c1cc(S(=O)(=O)N2CCN([C@H]3CCSC3)CC2)c(Cl)s1 97166138 VATPXQSBVMKWOP-JTQLQIEISA-N 431.026 1.617 0 40 IDAB CCN(CC)C(=S)S[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)NC(C)=O)cc2)C1=O 100122849 OWYPAZZUZOELLF-CQSZACIVSA-N 443.572 1.503 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 225207163 NONNTFDVQBLZAS-INIZCTEOSA-N 443.525 1.775 0 40 IDAB COC(=O)c1cccc(C(=O)N2C[C@@H]3C[C@@H](O)CN3C3(C2)CN(C2CCCCC2)C3)c1 514288753 DORIBPHARVMBSB-LEWJYISDSA-N 427.545 1.751 0 40 IDAB biogenic,in-vitro CCOC(=O)CNC(=O)CN1CCC[C@H]2NC(=O)COc3ccccc3CC=CC[C@H]21 2037884804 GGWXXUKGWPVGEI-RTBURBONSA-N 429.517 1.196 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2)cc1 8639654 HDVAONOBUPJGMZ-UHFFFAOYSA-N 447.513 1.629 0 40 IDAB C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)OCO2 8772671 ZFWBAVWGYFKUDD-VIFPVBQESA-N 426.834 1.900 0 40 IDAB COc1ccc2c(C)c(CC(=O)N3CCC(C(=O)NCC(=O)O)CC3)c(=O)oc2c1OC 9129512 KTHYJIMANSXOGA-UHFFFAOYSA-N 446.456 1.101 0 40 IDAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)N3CCN(C(C)=O)CC3)cs2)c1 9659246 VXODBAYSUKSOKF-UHFFFAOYSA-N 432.502 1.646 0 40 IDAB Cc1ccnc(SCCCn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248817 IDSLUTTZBJWQAJ-ZDUSSCGKSA-N 429.550 1.940 0 40 IDAB O=C(CC12CC3CC(CC(C3)C1)C2)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1 12445030 LXCUBFWMKSYDLU-UHFFFAOYSA-N 447.605 1.651 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 12933784 MJLKPHANPHQCNA-YJBOKZPZSA-N 428.532 1.313 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13097325 IHVCDVQNXHSOGT-KBXCAEBGSA-N 447.513 1.659 0 40 IDAB COc1cc(OC)c(OC)cc1CN1CCc2nc(N3CCOCC3)nc(O)c2CC1 19595007 YDZVRAKLTJOURS-UHFFFAOYSA-N 430.505 1.645 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3snnc3CC)CC1)C2=O 19700762 KVBQZXGURLLEKO-UHFFFAOYSA-N 448.593 1.749 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 48291095 FJCOHBOMEGKKDV-FQEVSTJZSA-N 446.573 1.394 0 40 IDAB CN1C[C@@H](C(=O)N2CCC(c3nc(-c4ccncc4)ncc3S(C)(=O)=O)CC2)CC1=O 72335850 PYKFFVAVQWZRFN-INIZCTEOSA-N 443.529 1.126 0 40 IDAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225075201 NMMVLLROYIOXDE-UHFFFAOYSA-N 427.508 1.310 0 40 IDAB CN1CCN([C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]2O)CC1 257264189 LTGUQWVTTNJEMG-SFTDATJTSA-N 432.609 1.421 0 40 IDAB Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)[C@H]1O 257323522 WKOXFMJXXZSXMV-ZHALLVOQSA-N 431.537 1.749 0 40 IDAB CC(C)NC(=O)[C@H]1CN(C(=O)c2ccc(O)nc2)C[C@@H]1c1ccnc(N2CCCCC2)n1 257324583 WPIKJHCWEHYBCV-ROUUACIJSA-N 438.532 1.948 0 40 IDAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C)C(=O)NCc2ccccn2)cc1 260717048 HVKITQYMYCNNQE-MRXNPFEDSA-N 448.545 1.015 0 40 IDAB COc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H](C)O)CC3=O)cc2)cc1 408614887 JGUITBLWPNFMLR-HOTGVXAUSA-N 441.484 1.563 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccccn2)c(=O)n1CC(=O)N1c2ccccc2C[C@H]1C 585145816 WYGPTBDLCRZNAH-NNQSZWAGSA-N 449.532 1.455 0 40 IDAB Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1C 679782307 IZHZAJDWGHRCHU-KSSFIOAISA-N 435.477 1.304 0 40 IDAB Cn1nnc(-c2ccc(-c3ccc(N4C[C](COP(=O)(O)O)OC4=O)cc3F)cn2)n1 1560406164 HREJCCXWLJGDID-UHFFFAOYSA-N 449.315 1.676 0 40 IDAB Cc1ccc(=O)n(CC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)n1 1565523188 HJUKRAVISREPNE-UHFFFAOYSA-N 444.557 1.889 0 40 IDAB CCOc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](c3n[nH]c(C)n3)C2)cc1OCC 1626653875 LAWMNIAZYAUCDJ-AWEZNQCLSA-N 437.522 1.205 0 40 IDAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)Nc1cc(F)cc(F)c1)CC2 1772595262 HQQMWRUDADOVRO-GOSISDBHSA-N 437.491 1.393 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(NCCc1ccccc1)n2C[C@@H](O)COc1ccccc1 626022 FJBLOXIGYXQGRP-QGZVFWFLSA-N 435.484 1.518 0 40 IDAB aggregator CC(C)CN(C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 9884411 WFJZSIJFNSTMIB-HNNXBMFYSA-N 449.529 1.071 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)CNC(=O)c1ccccc1)n2CCC 11027019 ICAYSFKIMZKGPT-UHFFFAOYSA-N 441.488 1.570 0 40 IDAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)c1 12030707 KQHPZPKDVCSJSF-QGZVFWFLSA-N 437.495 1.686 0 40 IDAB CCN(CC)CCN1C(=O)[C@@H]2CN(C(=O)C(C)(C)N)C[C@]2(C)NC(=O)c2ccccc21 12231909 MJZHWGPVLZSMFH-SBUREZEXSA-N 429.565 1.059 0 40 IDAB CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 12862822 RHPIMWUBNYBBDX-UHFFFAOYSA-N 441.525 1.964 0 40 IDAB Cn1nnnc1-c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 12972449 ZWQFDCSEZVFYJL-CQSZACIVSA-N 432.531 1.978 0 40 IDAB COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCOCC3)c3nnnn3c2c1 13150731 XZPRJJWKXONVBX-IBGZPJMESA-N 435.492 1.809 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C(=O)O 13607776 UUSYMCSCYXKOAE-ACJLOTCBSA-N 439.534 1.661 0 40 IDAB CC(C)N(CCNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(C)C 14062087 NXIIRTGOSZDLSD-UHFFFAOYSA-N 437.610 1.991 0 40 IDAB CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2cnc(C)cn2)c(=O)[nH]c1=O 14699539 PTPCHBBQGNGHRR-UHFFFAOYSA-N 438.488 1.873 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c(-c2cccnc2)n1 19290302 QMYANVLPVHRFRQ-UHFFFAOYSA-N 443.504 1.697 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3)CC2)c(-c2ccncc2)n1 19290317 DGLKFRVIHFYUHK-UHFFFAOYSA-N 439.541 1.948 0 40 IDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CN(CC(=O)N3CCCC3)CCO2)n1 19694982 SSHLRMXGBYQPIJ-IBGZPJMESA-N 438.532 1.304 0 40 IDAB O=C1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)c2c(nc(N3CCOCC3)[nH]c2=O)N1 19961121 HWXOHFQLESURJK-VIFPVBQESA-N 438.271 1.978 0 40 IDAB CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c21 22610472 BORMAVUIEBEBMO-AWEZNQCLSA-N 438.488 1.099 0 40 IDAB CCOC(=O)N1CCN([C@H](c2cccnc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697871 BGPCJFSRSDSQRM-HXUWFJFHSA-N 430.505 1.767 0 40 IDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc1 25014803 ROIJRGYXSCFVRS-VBKZILBWSA-N 447.513 1.752 0 40 IDAB O=C(NCCS(=O)(=O)Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)o1 48274499 NQDKGOGQHZFLQT-UHFFFAOYSA-N 440.543 1.799 0 40 IDAB COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)N2CCCC2)cc1 58266652 YBZLABOYNVVDJS-IBGZPJMESA-N 449.577 1.359 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCSCC3)CC1)NC2=O 72327477 UEDDKCGMRVLZGW-QKKBWIMNSA-N 433.530 1.490 0 40 IDAB C[C@@H](C(=O)NCCN1CCOCC1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327614 UGKSZTJAZAHFGG-GAJHUEQPSA-N 429.517 1.240 0 40 IDAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CC(=O)N(C)C5)CC4)nn3c(O)c2C1 72389793 JWOJERBVPOROMS-MRXNPFEDSA-N 440.548 1.386 0 40 IDAB O=C(Cn1nnn(-c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c1=O)NC1CC1 77100246 KHNMZEAEXKLTTF-OUKQBFOZSA-N 440.485 1.120 0 40 IDAB CNC(=O)c1cccc(C(=O)OCCOCCOC(=O)c2cccc(C(=O)NC)c2)c1 95962751 AMWJECYTXQDJOR-UHFFFAOYSA-N 428.441 1.436 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cc3c(cc21)OCCO3 101035406 WGRQDKBVCMEGCH-NFFVOIMASA-N 442.449 1.914 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccccc5)[C@H]34)[C@@H]2C1=O 217612792 GBYMFODZINXBOP-MDVGQMFQSA-N 442.518 1.994 0 40 IDAB COc1ccccc1N1CCN(C(=O)CN(Cc2ccccc2F)S(C)(=O)=O)CC1 222942499 XRXBYCWAMBBFFO-UHFFFAOYSA-N 435.521 1.945 0 40 IDAB COCCN1C[C@@H](C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)CC1=O 257342769 ZQCKQMUYWAUIKL-SFHVURJKSA-N 445.564 1.627 0 40 IDAB O=C(NC1CC1)N[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@H](O)[C@H]1c1cnc(-c2ccccc2)[nH]1 2332241871 XTFRDFAJJWFWRQ-ONCXSQPRSA-N 439.516 1.230 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N1CCN(C(=O)c2ccco2)CC1 3266974 JAOBNIFIMMUVEX-HSZRJFAPSA-N 436.468 1.348 0 40 IDAB CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N[C@@H](C)c2ccccc2)c1=O 3360626 SNAHMRNJWXSVQY-INIZCTEOSA-N 429.521 1.106 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(CC)cc2)n(C)c1=O 8653902 KUEMEEPYQITPHK-CQSZACIVSA-N 425.489 1.810 0 40 IDAB CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 8995870 HRWGUCQKYFQTLQ-OPRWKUAOSA-N 433.530 1.765 0 40 IDAB biogenic Cc1cc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)n(-c2nc(O)c3c(n2)CCC3)n1 9039930 JMKSLBGBUXLVFR-UHFFFAOYSA-N 445.483 1.944 0 40 IDAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c(OC)c1 9063825 DYLDYEFQWBPCJO-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC 9339483 KZFVKWYPMLBABJ-UHFFFAOYSA-N 434.514 1.997 0 40 IDAB Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(S(C)(=O)=O)ccc21 9444901 CTMNWRNOMHRSOA-VXPUYCOJSA-N 429.479 1.367 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 9492061 CKFGKDZUZZHSDS-IBGZPJMESA-N 432.498 1.711 0 40 IDAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccccc1S(=O)(=O)C(F)F 9570978 WXKNDPUOOOEXSQ-UHFFFAOYSA-N 429.355 1.867 0 40 IDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9865205 IXLSHINLUSVATA-UHFFFAOYSA-N 441.513 1.995 0 40 IDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 9876874 YQNKURXYKFCFCR-QGZVFWFLSA-N 441.484 1.966 0 40 IDAB COc1cccc(NC(=O)CSc2nc(C3CC3)nc3c2c(=O)n(C)c(=O)n3C)c1 11758106 FDHPKWZSBLGVJW-UHFFFAOYSA-N 427.486 1.644 0 40 IDAB Cc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCN2S(=O)(=O)c2ccc(C)cc2)cc1 12080760 MSVWMDQTFPAFQT-IBGZPJMESA-N 431.514 1.083 0 40 IDAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CCN(S(C)(=O)=O)CC1 12276251 ZHSAJBNSOSTQBS-OAHLLOKOSA-N 438.575 1.538 0 40 IDAB Cn1c(CCC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)nc2ccccc2c1=O 12933064 YHBYBULMCJCQPA-UHFFFAOYSA-N 439.560 1.413 0 40 IDAB COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccncc1 13502448 ZMPIKHMAEONTIL-JOCHJYFZSA-N 448.483 1.952 0 40 IDAB CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC(C)C 13593466 FNQFDIRQBLYPKQ-SFHVURJKSA-N 441.619 1.850 0 40 IDAB COC(=O)c1c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2c1CCN(C(C)=O)C2 13790350 LNUVFMPXKBTELQ-LBPRGKRZSA-N 443.547 1.049 0 40 IDAB O=C(CSc1ncccn1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 14358813 VVQKMESCQOGQQT-UHFFFAOYSA-N 428.923 1.882 0 40 IDAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)CCn2cnnn2)CCO1 19580632 CQVZMPVERHKQAI-DEOSSOPVSA-N 448.527 1.659 0 40 IDAB CC(=O)NCC(=O)N1CCC[C@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 19765335 BTHMQEWTGQJEST-KRWDZBQOSA-N 427.480 1.696 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CC4)ccc21 19819466 BYDORISLGUDQAQ-UHFFFAOYSA-N 435.527 1.719 0 40 IDAB Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(F)cc1 20533393 SBJVXMTXQINUMJ-UHFFFAOYSA-N 440.479 1.227 0 40 IDAB COCCNC(=O)Cn1nc2c(c1NC(=O)c1cc(=O)c3ccccc3o1)CSC2 23138943 UNDIDWWBPMBFLV-UHFFFAOYSA-N 428.470 1.751 0 40 IDAB COc1ccccc1N1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 23486906 LSMYKPQCWQHHHM-UHFFFAOYSA-N 431.562 1.353 0 40 IDAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 33508736 UMZSRRMAAAUECC-JSAFQYNZSA-N 449.463 1.673 0 40 IDAB CC(C)n1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)n1 38499239 IGDNMQUALQKMHL-UHFFFAOYSA-N 446.489 1.787 0 40 IDAB CCC(CC)NS(=O)(=O)c1ccc(NCCCN2CCN(c3ncccn3)CC2)nc1 40149467 UONCPLCHAAEJDF-UHFFFAOYSA-N 447.609 1.963 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cc(C3CC3)on2)CC1 56908006 LKEQLEIYCRLDBX-MRXNPFEDSA-N 433.534 1.687 0 40 IDAB O=C(Cn1cnc2nc(N3CCOCC3)ncc2c1=O)NCc1ccc(F)c(Cl)c1 62006743 JCLXCDOVQZPUQA-UHFFFAOYSA-N 432.843 1.132 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 77198183 NUZVACLKZZHRGI-UHFFFAOYSA-N 448.526 1.738 0 40 IDAB CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O 100375790 ZEBMMHUDQRRILP-ACRFTBPZSA-N 449.588 1.448 0 40 IDAB in-vitro C[C@@H]1O[C@@H]2OC(=O)[C@]3(C)CC4=C(CO)C5=C(CC(=O)[C@]4(C)[C@@H](C1=O)[C@H]23)C(C)(C)OC(=O)C5 247948878 JIEVZPUBUDASNE-ZSBYMSLHSA-N 444.480 1.790 0 40 IDAB biogenic,in-vitro Cc1cc(N2CC[C@@](O)(CN(C)C(=O)COc3ccc(CN4CCCC4)cc3)C2)ncn1 257232638 GLUCRWCQIGSBIK-XMMPIXPASA-N 439.560 1.859 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1 408591753 KENQXOFKOUDPRR-UHFFFAOYSA-N 445.969 1.198 0 40 IDAB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc(N3C(=O)c4nccnc4C3=O)cc2)C1 408974994 HFBRLWRBZCVLTD-MRXNPFEDSA-N 435.484 1.998 0 40 IDAB CCCN(CC1CC1)S(=O)(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 514527993 OHPXBFBPOXORRB-UHFFFAOYSA-N 434.584 1.355 0 40 IDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 588020643 ASCIYMLXVTXJMV-SFHVURJKSA-N 433.555 1.995 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 2627132 PFRJEEXUAYNQKV-UHFFFAOYSA-N 436.486 1.815 0 40 IDAB Cc1cccc(OC[C@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 7425567 UTGMBHRCKXNUEY-MRXNPFEDSA-N 427.505 1.408 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccccc1OC 8990461 OREUEFQZCPQKON-QZTJIDSGSA-N 438.488 1.014 0 40 IDAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 9126572 YVPWZVSDTISYAV-UHFFFAOYSA-N 439.559 1.989 0 40 IDAB Cc1nc(SCC(=O)Nc2nc3ccccc3s2)c2c(=O)n(C)c(=O)n(C)c2n1 11024757 NTIOFXZLWKMZCK-UHFFFAOYSA-N 428.499 1.676 0 40 IDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)no1 11279972 COSSQTNEUKVXLV-ZIAGYGMSSA-N 446.485 1.714 0 40 IDAB COCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2Cc2ccccc2F)n(C)c1=O 12232065 PKBNDLIHEFEQHS-UHFFFAOYSA-N 440.479 1.841 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1S(N)(=O)=O 12507873 UMEDRUJAOVWBCT-UHFFFAOYSA-N 439.515 1.443 0 40 IDAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)CC)CC1 12889552 HTRPUWAXPCIYLA-UHFFFAOYSA-N 429.970 1.866 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCCO 13629911 JZCLDWOWLRZGSV-YJYMSZOUSA-N 431.489 1.393 0 40 IDAB Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)NC[C@H]1CCCO1 15019791 CGOVWJLWNNTRFD-OAHLLOKOSA-N 439.563 1.169 0 40 IDAB O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19345473 PCIHVRALCWKMPG-OAHLLOKOSA-N 436.468 1.423 0 40 IDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)n1 19694768 WGKDJWHKCFSIPB-QGZVFWFLSA-N 436.516 1.247 0 40 IDAB O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC(=O)[C@@H]1CCCO1 19697826 XOEFGISFHLIBSY-IBGZPJMESA-N 425.489 1.403 0 40 IDAB COc1ccccc1NC(=O)CS(=O)(=O)CC(=O)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 19951429 CXFQEXNGHTYBFB-CYBMUJFWSA-N 446.481 1.675 0 40 IDAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3cccc(OC)c3)c(=O)n12 22357480 ISQMATTYUBHJGP-NMUQHIFESA-N 436.489 1.868 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1)CC2 22934730 HBWUTUJBCZUMRP-UHFFFAOYSA-N 446.592 1.511 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)Nc1cccc(C(=O)NC2CC2)c1 23257096 PCGYBLJXIJCDPG-UHFFFAOYSA-N 427.549 1.147 0 40 IDAB O=C(NCCc1cn2ccccc2n1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 23320107 JROPVYRIHPYMSQ-GOSISDBHSA-N 428.514 1.764 0 40 IDAB COc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)N1CCCCC1 23510907 KLIVDNZJKHQCGO-UHFFFAOYSA-N 425.551 1.322 0 40 IDAB Cc1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C 32093687 PURKPOLTEQTDNI-UHFFFAOYSA-N 426.520 1.025 0 40 IDAB O=C(Cn1c(=O)ncc2c1cnn2[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(Cl)c1 32642400 NCBXVKZPBNLZTQ-NSHDSACASA-N 439.856 1.384 0 40 IDAB C[C@@H]1Cc2cc(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)ccc2N1S(C)(=O)=O 32810544 WWZVSKRDLYKLME-VLIAUNLRSA-N 443.525 1.893 0 40 IDAB CN(CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2c(=O)[nH]1 34874298 PGZZEYZTNKYTDB-KRWDZBQOSA-N 446.573 1.703 0 40 IDAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C(=O)C2CC2)CC1 35286807 GQQBONDFOFRLKQ-MRXNPFEDSA-N 434.562 1.352 0 40 IDAB CC[C@H](C)C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 35291080 OVZJHTQXKRNJJY-ZDUSSCGKSA-N 430.484 1.195 0 40 IDAB CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1cc(F)ccc1OC 39986350 CZPHDWMSYAOITQ-UHFFFAOYSA-N 445.494 1.131 0 40 IDAB CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 57730048 VICHYBXLAXJKAU-CQSZACIVSA-N 443.485 1.319 0 40 IDAB CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)C4CCCCC4)CC3)n2)CC1 72335880 DIABQZGAKUAVEI-UHFFFAOYSA-N 449.621 1.918 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)N3CCC(N(C)CC(=O)NC(C)C)CC3)CC2=O)cc1 95432322 UYKAUCDJUCDFAL-KRWDZBQOSA-N 430.549 1.496 0 40 IDAB Cc1cccc(S(=O)(=O)N2CCC3(CC2)C(=O)NCCN3Cc2csc(C)n2)c1 96230211 ZHVVCLACHYMVBO-UHFFFAOYSA-N 434.587 1.915 0 40 IDAB C[C@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 103125949 MMEJCLBULUBJBT-BPUTZDHNSA-N 428.441 1.669 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 216598241 PQMKZDYILXCIJA-HSGJQSDISA-N 447.491 1.589 0 40 IDAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1 224183400 SNBPGCYLNNOOCD-UHFFFAOYSA-N 431.514 1.873 0 40 IDAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC4(CC2)NC(=O)c2ccccc2N4)[C@H]3C1=O 248138663 AWZHXMWLVAQTSR-CROMWVBPSA-N 436.512 1.351 0 40 IDAB CNCCOc1ccc(Cl)cc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O 257208283 BLMMDMXYQJAABJ-PVUWLOKVSA-N 443.928 1.033 0 40 IDAB CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)OCC(=O)c1ccc(Br)cc1 409002034 LRPXPAJKGAXZNI-LBPRGKRZSA-N 429.267 1.944 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)cc1 575612704 NYCIENPTBJEYAP-JOCHJYFZSA-N 432.542 1.981 0 40 IDAB COc1ccc(CNC[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)c(OC)c1 585284473 LGBWVLNZZFCJIC-UPVQGACJSA-N 428.529 1.751 0 40 IDAB CC(C)C(=O)Nc1nc(CC(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cs1 588381225 YRXAFOVQIMMOBL-UHFFFAOYSA-N 433.538 1.913 0 40 IDAB CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)c21 670417826 MJKMFSGCZFGEQT-ZDUSSCGKSA-N 431.308 1.986 0 40 IDAB CCN(C(=O)CSc1nnnn1-c1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 4195139 BLZUAMZJQRRWHB-ZDUSSCGKSA-N 425.536 1.107 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)cc1 9001384 GPNIZNFESWLKPM-UHFFFAOYSA-N 445.435 1.427 0 40 IDAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(-n2cnnn2)c1 9186381 UAIGRGJVONWANU-UHFFFAOYSA-N 442.501 1.255 0 40 IDAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2O)CC1 9220701 YYPBSHLJQROJFG-HXUWFJFHSA-N 442.541 1.804 0 40 IDAB Cn1c(=O)c2c(nc(NCc3ccccc3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 9292930 FFLUCQHJFUWYLV-KRWDZBQOSA-N 435.484 1.486 0 40 IDAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c(O)c1 9984848 NFIOZFJDMZRKCY-UHFFFAOYSA-N 433.486 1.539 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccco1)n2C[C@@H](O)COc1ccc(Cl)cc1 10274103 JCZACKVTYCAFSI-CYBMUJFWSA-N 445.863 1.722 0 40 IDAB COc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccccc2)cc1OC 10283099 WAFDGAHTXHKISN-UHFFFAOYSA-N 447.513 1.200 0 40 IDAB COc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc(OC)c1OCC(N)=O 10901390 JDCWZCRIWURVLD-UHFFFAOYSA-N 443.500 1.677 0 40 IDAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCCN1C(=O)c2ccccc2S1(=O)=O 12425027 KSOMAKLQHFWINT-HNNXBMFYSA-N 432.479 1.877 0 40 IDAB COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)nn1 12440269 CWSDDHPGXAWTCC-UHFFFAOYSA-N 445.545 1.622 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 12904298 IZZCREJGEHCRAV-LBPRGKRZSA-N 432.458 1.013 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 13471109 ATMGYRXBFUSEQY-UHFFFAOYSA-N 439.515 1.136 0 40 IDAB Cn1nnc2c(N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)ncnc21 13534453 WBIQAJCGSNYVFQ-UHFFFAOYSA-N 427.412 1.288 0 40 IDAB O=C(c1ccn(Cn2cc(Br)cn2)n1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 13959752 UOBGLRDHAMMOLD-CYBMUJFWSA-N 439.167 1.769 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O[C@H](C)C(=O)N2CCOCC2)cc1 14167699 DCFHHEPVRAMMQU-SJLPKXTDSA-N 426.535 1.479 0 40 IDAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 14167703 OXMBXDAGAFAVEB-CQSZACIVSA-N 440.518 1.507 0 40 IDAB CCN(C(=O)COC(=O)/C=C/c1cc(F)cc2c1OCOC2)[C@@H]1CCS(=O)(=O)C1 17255128 OVOKTVWFHCFOHM-QDLOVBKTSA-N 427.450 1.284 0 40 IDAB CCOC(=O)[C@@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OC)cc1 17296784 FNFOTKRBKALEDD-LLVKDONJSA-N 431.474 1.287 0 40 IDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C 17920970 VJOFIPHKADYWFZ-KKUMJFAQSA-N 430.457 1.874 0 40 IDAB CC(=O)N1CCCN(C(=O)[C@@H]2[C@H](C(=O)NC(C)(C)C)[C@]2(C)C(=O)c2ccccc2N)CC1 19017630 YBOGVXIQFRUMCJ-IMWIBFENSA-N 442.560 1.699 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19583683 CWSWFASBIYLQQO-GOSISDBHSA-N 434.566 1.679 0 40 IDAB CN(C)S(=O)(=O)N1CCN(c2ncc(-c3ncc[nH]3)c(-c3ccc(F)cc3)n2)CC1 19583730 ANAQGHSQWPAZCT-UHFFFAOYSA-N 431.497 1.601 0 40 IDAB CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1 19703135 STEDXFDOTJIYFT-HNNXBMFYSA-N 429.502 1.308 0 40 IDAB Cc1nn(C)c(C)c1CCNC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O 19750549 SCSPSYYLAQGEQT-UHFFFAOYSA-N 425.464 1.949 0 40 IDAB COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1C(=O)N1CCCCC1 19928923 YQSDPZWCXBSEER-UHFFFAOYSA-N 425.551 1.322 0 40 IDAB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc1 23107439 RGYMNPYGVKHKBO-NRFANRHFSA-N 427.501 1.510 0 40 IDAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 24840841 MVFGDLKNCRKXLH-RDJZCZTQSA-N 440.518 1.019 0 40 IDAB COc1cc2nc(CN3CCOCC3)n(CC(=O)N3CCCCCC3)c(=O)c2cc1OC 25426709 JLDPQBJSRKHVAP-UHFFFAOYSA-N 444.532 1.649 0 40 IDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 34871976 MROJAWPVLXWBLG-GBESFXJTSA-N 432.542 1.768 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@@H]24)O3)cc1OC 85420713 WNDGURXLUQSKEF-RLBWGYBJSA-N 439.468 1.646 0 40 IDAB COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl 89895832 ZISFLZRDOQMDKV-LURJTMIESA-N 441.687 1.967 0 40 IDAB O=C1C[C@@H](N2CCC(NS(=O)(=O)c3ccccc3)CC2)C(=O)N1Cc1ccccc1 103022307 ZMMAUDMHKMXBMI-HXUWFJFHSA-N 427.526 1.757 0 40 IDAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3Cc4ccccc4C3)C2)C(=O)N1Cc1ccccc1F 225391165 HUNSEDIQZCQYRD-IRLDBZIGSA-N 435.499 1.352 0 40 IDAB biogenic,in-vitro CN(C)CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)cn1 225923429 LLECYKLHHPAWAM-UHFFFAOYSA-N 438.525 1.998 0 40 IDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 252478442 AMLZKYYBEZRLHY-UHFFFAOYSA-N 446.573 1.998 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3csc(Cc4ccccc4)n3)CC[C@@H]2O)CC1 257217370 CYRLVFFUSVULHW-SFTDATJTSA-N 442.585 1.864 0 40 IDAB CN(CC(=O)O)C(=O)[C@H]1[C@@H](O)[C@H](c2ccc(F)cc2)CN1C(=O)OCc1ccccc1 257292710 QMQHTKOFCNPIBI-SXLOBPIMSA-N 430.432 1.834 0 40 IDAB O=C1CCCN1CCOc1ccc(C(=O)N2C[C@H](O)[C@H](Cc3cn4ccnc4cn3)C2)cc1 257308901 TYRAUEGHDLRAPO-NQIIRXRSSA-N 449.511 1.406 0 40 IDAB CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@]1(O)CCN(c2ncccn2)C1 257324127 WNHBNSRHCOIDGW-XMMPIXPASA-N 439.560 1.941 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccccc2)c(OC)c1 408975044 IYXWOIPQRBCUFF-UHFFFAOYSA-N 434.514 1.754 0 40 IDAB CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1 508193984 KOEVLWZZLSPOFB-UHFFFAOYSA-N 447.513 1.516 0 40 IDAB CN1c2ccccc2N(C2CCN(CC(=O)Nc3ccc(C(N)=O)cc3)CC2)S1(=O)=O 575414186 LHMYMCSHTLVCID-UHFFFAOYSA-N 443.529 1.390 0 40 IDAB COc1cc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)ccc1OCCN1CCC(C)CC1 585272001 IFRXWIFEQHFGOE-VXKWHMMOSA-N 433.593 1.683 0 40 IDAB Cc1nc(C(=O)NC[C@@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)cs1 1614940975 WJAJOSCDGWKGHL-HNNXBMFYSA-N 425.514 1.986 0 40 IDAB O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)N1CCN(c2ccccc2)CC1 1888947734 MNZXHCPADUROMS-SZPZYZBQSA-N 432.524 1.452 0 40 IDAB COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 3408609 ZWOZHAXLGFYSPX-JOCHJYFZSA-N 425.441 1.593 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CN(C(C)C)C(C)C)C2)cnn1C 6921757 GQHVSQUGHNTAPE-FUHWJXTLSA-N 427.615 1.753 0 40 IDAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N[C@@H]1C=CS(=O)(=O)C1 9435429 ZMHMVIISSIMGCM-CQSZACIVSA-N 427.434 1.971 0 40 IDAB biogenic NS(=O)(=O)c1ccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 9631077 ISYNLOSXLHEJMJ-UHFFFAOYSA-N 449.529 1.148 0 40 IDAB O=C(Nc1ccccc1N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 9632617 BVXMJVGLOAROLW-UHFFFAOYSA-N 449.504 1.936 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(F)cc3F)C2=O)cc1OC 9675690 HOVNRZDOSVQSFF-MSOLQXFVSA-N 445.382 1.914 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)NCc1ccc2c(c1)OCO2 12236048 DXEDWVCFXCIDGM-CQSZACIVSA-N 427.504 1.067 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 12510571 MAEBUDUORRTHNI-IBGZPJMESA-N 447.561 1.835 0 40 IDAB O=C(CN1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)o2)CC1)NC1CC1 14121200 PVYMRBDSVXIBGX-UHFFFAOYSA-N 435.937 1.905 0 40 IDAB CC(C)NC(=O)CN1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CC1 14184929 PWOWXPSAWTZLRV-UHFFFAOYSA-N 442.589 1.906 0 40 IDAB COc1ccc(NC(=O)[C@@H](C)OC(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1OC 16772182 KAROFHGUJLJTHW-GFCCVEGCSA-N 447.469 1.313 0 40 IDAB Cc1cc2nc(C[C@H](NS(=O)(=O)c3cn(C)cn3)c3ccc(F)cc3)cc(O)n2n1 19129928 DAVOYRXKJRFFNP-INIZCTEOSA-N 430.465 1.878 0 40 IDAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19342800 KUCLDZMMXYEUBX-CVEARBPZSA-N 428.514 1.872 0 40 IDAB CCCN1CCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccc(C)cc2N3)CC1 19503374 RSBGXDFKNPTOBA-HOYKHHGWSA-N 441.576 1.802 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCN(C(=O)CCC4CCCC4)C3)[nH]c(=O)c2C1 19520423 CETBUYPDGJTHAY-MRXNPFEDSA-N 436.578 1.764 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)C1 19583662 GPTXAXXBEYPKRA-OAHLLOKOSA-N 448.593 1.721 0 40 IDAB O=C(CN1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1)N1CCC1 19697529 KVYBXJDWDJOFRP-QGZVFWFLSA-N 429.542 1.979 0 40 IDAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(CC(=O)N1CCC(C)CC1)CC2 19710563 XIGCDEFEYOWWLH-SFHVURJKSA-N 428.581 1.861 0 40 IDAB Cc1sc2nc(CN3CCOCC3)nc(NC3CCN(S(C)(=O)=O)CC3)c2c1C 22239988 DBHSKIDUUWYQEL-UHFFFAOYSA-N 439.607 1.976 0 40 IDAB Cc1ccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1S(=O)(=O)N1CCOCC1 23680903 NOANSSPZFAJTLF-DNVCBOLYSA-N 439.559 1.408 0 40 IDAB O=C1C[C@H](C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CN1Cc1ccccc1Cl 23990107 XMCYRMKYNVUAFT-IRXDYDNUSA-N 439.965 1.020 0 40 IDAB O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 32722507 BKDLYVRZYXIXJR-IBGZPJMESA-N 430.482 1.626 0 40 IDAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O 32724174 RPNMSPHHVXUURV-NRFANRHFSA-N 437.412 1.077 0 40 IDAB COc1cc(Cl)c(NC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 32883036 YKCSKBIIXZSKFD-UHFFFAOYSA-N 435.868 1.523 0 40 IDAB CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)CC1 35296270 VWPMSIOVCRFGQN-UHFFFAOYSA-N 444.532 1.029 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 40107379 HLNJWAVXSNJXDJ-UHFFFAOYSA-N 429.502 1.553 0 40 IDAB CSc1ccccc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70902629 DBVPAQRDECLKBC-UHFFFAOYSA-N 448.570 1.959 0 40 IDAB CC(C)(C)NC(=O)Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21 72332070 JOZHFOGALXVKHO-UHFFFAOYSA-N 440.500 1.883 0 40 IDAB CN(C)C(=O)CN1Cc2c(C(=O)N3CCCCCC3)ncn2-c2ccccc2S1(=O)=O 96266286 LTZHCPHZOKBMRK-UHFFFAOYSA-N 445.545 1.481 0 40 IDAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)no1 102538881 QOSWDRZTTNOLKS-QAHSAEHHSA-N 437.452 1.890 0 40 IDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)COc3ccc(CN4CCCC4)cc3)C2)ncn1 257232637 GLUCRWCQIGSBIK-DEOSSOPVSA-N 439.560 1.859 0 40 IDAB CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@H](O)[C@@H](N(C)C(=O)CCc2cccnc2)C1 257257904 KROSCMUTPPAMKS-ZCAIMPEWSA-N 439.556 1.821 0 40 IDAB CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cnn(C)c3)CC[C@@H]2Oc2ccccc2)CC1 257283013 OWJJRPFTCPJMKE-RXVVDRJESA-N 425.533 1.494 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)Cc1ccccc1 260760997 DFKSHDSWVJZDQX-GOSISDBHSA-N 445.541 1.996 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(OC)c1 408658424 KVOJIMOASWLOCS-UNVVTRJASA-N 430.457 1.605 0 40 IDAB CS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 568466479 HMEBPILJTDJEBP-AEFFLSMTSA-N 428.576 1.378 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N(c2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575420948 FSMWGHCZTGWWID-RTBURBONSA-N 425.528 1.869 0 40 IDAB CN(C)c1nc(CNS(=O)(=O)c2ccc(-n3cccn3)cc2)nc(N2CCCCC2)n1 575606743 LEWGVEKCCHFMLV-UHFFFAOYSA-N 442.549 1.592 0 40 IDAB CC(=O)N1CCN(Cc2cc[nH]n2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)C1 643913192 JUXZBZBASVYXSP-YPAWHYETSA-N 440.585 1.024 0 40 IDAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(C[C@H](O)C2(O)CCOCC2)CC1 1559757825 NAVKKCJWRDEBPT-KRWDZBQOSA-N 433.332 1.419 0 40 IDAB C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CCC(c2nc(N)n[nH]2)CC1 1641801579 FLKIIBSGHKPXRU-MGAJPHDKSA-N 440.426 1.079 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cc[n+]([O-])cc1 8692530 UKNPAGLYIGLLQS-UHFFFAOYSA-N 433.486 1.599 0 40 IDAB O=C(COc1ncnc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 8801807 ZOYPVBYVUKEZKK-UHFFFAOYSA-N 428.470 1.668 0 40 IDAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O 9050478 ZVUZZHJHVGYVML-HXUWFJFHSA-N 445.382 1.863 0 40 IDAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 9377040 KUZRTKIWNISVGT-UHFFFAOYSA-N 438.517 1.298 0 40 IDAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCC1 9382024 DTENKKAJUYGAGP-UHFFFAOYSA-N 430.465 1.088 0 40 IDAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCc1cccnc1 9410944 LQAVWAZCYSDTJB-INIZCTEOSA-N 430.530 1.303 0 40 IDAB O=C(NCC(=O)N1CCSCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9485577 SAEGAIMTRJELPD-AWEZNQCLSA-N 445.994 1.432 0 40 IDAB C[C@@H]1CN(c2ccc(Br)cc2)c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2C1 9713468 ODTMKIXOYXVXHW-GFCCVEGCSA-N 448.321 1.829 0 40 IDAB CC(C)NC(=O)Cn1nc2n(CC(=O)N[C@H]3CCCC[C@@H]3C)c3ccccc3n2c1=O 12117653 MQURFEIIALWQOC-HOTGVXAUSA-N 426.521 1.670 0 40 IDAB CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl 12639222 IDFOQVIKCIKARW-UHFFFAOYSA-N 439.303 1.337 0 40 IDAB Cn1cnnc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 12936761 NUMHXCXRCQOJAP-SNVBAGLBSA-N 448.368 1.356 0 40 IDAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1S(=O)(=O)N1CCOCC1 13038591 YHWJNAIZIYFCEJ-OAHLLOKOSA-N 446.529 1.554 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 13138086 BOMCFWBPALFTRC-UHFFFAOYSA-N 448.526 1.913 0 40 IDAB CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C(=O)NCC(=O)O)cc3)cc2C[C@H]1C 13460085 CHMFRLSYKZFPNS-GFCCVEGCSA-N 431.470 1.599 0 40 IDAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N[C@@H]1CCS(=O)(=O)C1 13608039 WIOUQTGYNRPRCA-CQSZACIVSA-N 429.450 1.848 0 40 IDAB biogenic Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)c1 19234427 ACBOMLXIFYPFGN-SFHVURJKSA-N 430.530 1.763 0 40 IDAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCOC3)[nH]c(=O)c2C1 19239463 WEZPOXPPKBVNTH-HNAYVOBHSA-N 437.500 1.372 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 19695009 XUKCAWPEYQNUFN-KRWDZBQOSA-N 446.511 1.637 0 40 IDAB COc1cc(C)c(C)cc1S(=O)(=O)NCCc1nc(C)ncc1C(=O)N1CCOCC1 19697179 DHTOJRKZGZNTIX-UHFFFAOYSA-N 448.545 1.404 0 40 IDAB Cc1nnc2n1C[C@H](c1cccc(C(=O)NCCS(=O)(=O)N3CCCCC3)c1)CC2 19698201 MMXBHPVOMDQSOJ-LJQANCHMSA-N 431.562 1.862 0 40 IDAB NC(=O)C1CCN([C@@H]2[C@@H](O)[C@H](NCc3ccc(-c4ccccc4)cc3)[C@H]3CO[C@@H]2O3)CC1 20463883 FZTQRIIDSYCUEZ-COWNTTACSA-N 437.540 1.494 0 40 IDAB biogenic,in-vitro COc1ccc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(OC)c1OC 22363184 XSKMTFXWPRQAIM-UHFFFAOYSA-N 426.466 1.934 0 40 IDAB COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CN2CCN(C(C)=O)CC2)cc1=O 22698575 MBPRPRAMYOVCNM-UHFFFAOYSA-N 432.908 1.813 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1NC(C)=O 24084337 IIJURQCTZMHFFL-SFHVURJKSA-N 437.518 1.907 0 40 IDAB Cc1oc(C)c(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c1C 32808893 RYGXWFTXYYQREH-HNNXBMFYSA-N 426.516 1.923 0 40 IDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCc1cc(Cl)c2c(c1)OCCO2 32855700 FWNOEGMWFUNNKU-UHFFFAOYSA-N 429.860 1.863 0 40 IDAB Cn1c(Cn2ccc(=N)cc2)c(C(=O)c2cccc(Br)c2)c(=O)n(C)c1=O 36360728 KOLNZLGBUYSYFE-UHFFFAOYSA-N 429.274 1.407 0 40 IDAB CCn1c(=O)c2ccccc2n(CC(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1=O 40013532 WIZGAFXUSBHXRA-UHFFFAOYSA-N 434.496 1.604 0 40 IDAB CCn1nnnc1-c1cccc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)c1 95421571 BISVUFRCDXTLKB-UHFFFAOYSA-N 434.504 1.823 0 40 IDAB O=C1[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 100203951 HUDGZKHOKLTZCH-LPSTTYAQSA-N 435.411 1.986 0 40 IDAB CSCC[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 104172435 RHYOENXZKCWYKI-JTWVCOEZSA-N 449.960 1.993 0 40 IDAB Cn1c(CCC(=O)N2CC[C@@](C)(O)[C@H](n3ccc(O)nc3=O)C2)nc2cc(Cl)ccc21 257228429 FTUWZOWOBNFNPM-IIBYNOLFSA-N 445.907 1.646 0 40 IDAB CCN(CC)C(=O)CN1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 257245463 IPPXLMPLXUJVSI-IBGZPJMESA-N 440.548 1.550 0 40 IDAB O=C(c1ccno1)N1CCC2(CC1)COc1ncccc1S(=O)(=O)N(CC1CC1)C2 306141186 VNTWKVVYLQJHEG-UHFFFAOYSA-N 432.502 1.785 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCCn3ccnc3)C2)c1 408597817 YMCXEXFQDDKPDC-INIZCTEOSA-N 436.534 1.508 0 40 IDAB O=C(c1cnc(O)n(-c2ccc(F)cc2)c1=O)N1CCN(c2cc3c(nn2)CCC3)CC1 575620722 SOMFGYWVCLOQII-UHFFFAOYSA-N 436.447 1.318 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccsc2)c(=O)n1CC(=O)N[C@@H]1CCCC[C@H]1C 585145808 QAUOUUZICSCMTC-BKVRYUKUSA-N 434.583 1.839 0 40 IDAB O=C(NC[C@]1(O)CCN(Cc2ccc(OCc3ccccn3)cc2)C[C@H]1O)c1cnc[nH]1 585270421 JIJCNSMAHVYISL-FYYLOGMGSA-N 437.500 1.111 0 40 IDAB CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(Cc2cccc(OC)c2)CC3)C1=O 2055794499 VQNOCBVTVHWHKK-QFIPXVFZSA-N 435.590 1.791 0 40 IDAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3246778 VHRQJBZXUDENRJ-INIZCTEOSA-N 444.509 1.842 0 40 IDAB CC(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 3295138 ZFTDRJOZCSRODO-UHFFFAOYSA-N 433.486 1.903 0 40 IDAB O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)NC1CC1 3458636 LZEQHGVXTWYQDH-UHFFFAOYSA-N 429.480 1.735 0 40 IDAB Cc1cccc(OC[C@@H](O)Cn2c(NCc3cccnc3)nc3c2c(=O)[nH]c(=O)n3C)c1 8602361 UVUCPMGCGBBZTN-INIZCTEOSA-N 436.472 1.179 0 40 IDAB COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(S(N)(=O)=O)cc3)C(=O)[C@H]1C2 8770495 QLXQCOJLOXEYDS-OAHLLOKOSA-N 433.511 1.410 0 40 IDAB CC(=O)N[C@H]1[C@@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@@H](CO)[C@@H](O)[C@@H]1O 8834580 SMWDBPKQNHBCGZ-MRTXSQPYSA-N 433.301 1.047 0 40 IDAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc4c(c3)OCO4)c2N)c(OC)c1 9226885 QPVFVUHPGPSKQT-UHFFFAOYSA-N 440.416 1.497 0 40 IDAB CC[C@@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC 9465778 FVGLKLNRDYUNRE-RDTXWAMCSA-N 426.535 1.800 0 40 IDAB C[C@H]1CN(C(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C[C@H](C)O1 9519664 JDOBSXMMOWCRCX-IRXDYDNUSA-N 447.557 1.673 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2C)cc1 9576415 FARWGVPDEUYCHB-HXUWFJFHSA-N 445.541 1.473 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cnc4sccn4c3=O)CC2)cc1 9605829 BZISGDLLWSUATI-UHFFFAOYSA-N 432.527 1.601 0 40 IDAB CN(C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CCS(=O)(=O)C1 9715508 LHAQRUDUNUGAOD-LBPRGKRZSA-N 445.364 1.972 0 40 IDAB O=C(NCCCN1CCCC1=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 9885497 FJNIRTYCJATWOD-UHFFFAOYSA-N 445.497 1.958 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)o2)nn1C 11693840 UVCIISYBUSWVBF-CYBMUJFWSA-N 448.480 1.957 0 40 IDAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1O2 12086421 NZTVOXARYABQQL-AVRDEDQJSA-N 449.573 1.679 0 40 IDAB COc1cc2cc(N)c(C3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)CC3)nc2cc1OC 12231025 WXECXTJZTPMLMN-CQSZACIVSA-N 433.530 1.975 0 40 IDAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCCN1C(=O)c2ccccc2S1(=O)=O 12425028 KSOMAKLQHFWINT-OAHLLOKOSA-N 432.479 1.877 0 40 IDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)n1CCC(N)=O 12807324 VKJSWPORTMLLFB-AWEZNQCLSA-N 431.518 1.421 0 40 IDAB CCCN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12893758 XDGVZGLPGLIKBG-SFHVURJKSA-N 448.479 1.692 0 40 IDAB Cn1nnc2c(N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)ncnc21 13534457 RKHIPCLMKLSUTG-UHFFFAOYSA-N 427.412 1.288 0 40 IDAB C[C@@H](C(=O)NCCCN1CCCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 13671804 IQHFHSOBUZGQND-KRWDZBQOSA-N 439.578 1.995 0 40 IDAB Cc1c([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCCN(C)C)C3)C2)n2c(nc1=O)CCC2 19554734 ZXJLSXTVVZCPCA-ZWKOTPCHSA-N 429.565 1.004 0 40 IDAB CNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCO1 19696693 KNAZIUOACXKTAJ-OAHLLOKOSA-N 426.498 1.726 0 40 IDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23654395 LHCZAMIZIYODJP-UHFFFAOYSA-N 440.544 1.911 0 40 IDAB O=C(OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1OC(=O)c1ccccc1)c1ccccc1 28632238 WTTRUBICDWFROZ-BJLQDIEVSA-N 436.420 1.907 0 40 IDAB COc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 35681038 UUUTXIOPZZDHFQ-UHFFFAOYSA-N 448.570 1.758 0 40 IDAB COc1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1N1CCCCS1(=O)=O 36366830 KLNMYUGUFZJCTJ-UHFFFAOYSA-N 431.514 1.923 0 40 IDAB C[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(S(C)(=O)=O)cc1 44857174 UFZJADVORDVSEZ-ACJLOTCBSA-N 438.527 1.495 0 40 IDAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N(CCCO)Cc2cccnc2)cc1 89793979 MPUIBIICHYTZNM-UHFFFAOYSA-N 425.532 1.096 0 40 IDAB CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)c1 96395260 MZYYKKZVNUIPRU-AWEZNQCLSA-N 442.505 1.284 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(C)cc2)sc2cc(S(N)(=O)=O)ccc21 100877400 PJGLHDJKWBKHDO-VZCXRCSSSA-N 433.511 1.963 0 40 IDAB CCn1ncc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@](C)(N=3)[C@@H]2C(=O)OC)c1C 102629929 JEJDONVIQZEJBN-KGLOXBHBSA-N 438.509 1.384 0 40 IDAB CCc1ccc2c(c1)[C@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 105379217 WZMLRSVHAXQUKU-JVKJCLAXSA-N 433.508 1.593 0 40 IDAB biogenic CC(=O)O[Sn](C)(C)O[Sn](C)(C)OC(C)=O 196001938 VNRQFTQKKOQJIA-UHFFFAOYSA-L 431.649 1.533 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)s1 225632051 VRMLHBYSEIIIFW-SECBINFHSA-N 448.523 1.736 0 40 IDAB COCCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)Oc2ccn(-c3ccccc3)n2)CC1 226853144 AITUWCOGGAMESG-MRXNPFEDSA-N 436.534 1.196 0 40 IDAB CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)CC1 408589488 HZQZNCLRKVABPZ-OAHLLOKOSA-N 429.970 1.913 0 40 IDAB C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408702724 CPZOHWQHJAJUQE-CYBMUJFWSA-N 431.470 1.598 0 40 IDAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 575423461 FJHPPLVFEWGKDY-NWDGAFQWSA-N 431.319 1.183 0 40 IDAB CCOC(=O)[C@@H]1CN(Cc2ccco2)C[C@@H]2CN(C(=O)c3nnsc3C)CCN2C1 585108156 HCHAGHPJNMPHSY-HZPDHXFCSA-N 433.534 1.261 0 40 IDAB CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)ccc12 2124842 CPNFUBQRBUHUJD-FQEVSTJZSA-N 432.473 1.774 0 40 IDAB biogenic O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)COc2ccccc2)C1)c1cnccn1 4236178 VYERBSHVTWWTQF-DLBZAZTESA-N 445.479 1.915 0 40 IDAB biogenic,in-vitro C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1ccccn1 9306513 UBESLJDSHIGNQD-HOTGVXAUSA-N 448.520 1.443 0 40 IDAB CCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 9704857 XZDBRXBRTCAJLU-HNNXBMFYSA-N 443.456 1.351 0 40 IDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)N1CCN(C(=O)c2cccs2)CC1 9792398 LTMGXOHVWYBAMA-INIZCTEOSA-N 426.498 1.196 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 10232287 OERJNHZLWNJRRC-QGZVFWFLSA-N 436.384 1.915 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC1)O2 12087103 BDYPNKHNYDPXPL-PBPSECFOSA-N 445.516 1.205 0 40 IDAB COc1ccccc1C(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 12753485 KIOACZMCHQIQHG-UHFFFAOYSA-N 445.541 1.657 0 40 IDAB CN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12784973 OXZGUXNKWFRBDG-UHFFFAOYSA-N 436.509 1.322 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2nnc(S)n2Cc2ccccc2)cc1 12873055 IJMKFNOSZBBJBL-UHFFFAOYSA-N 431.543 1.164 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2ccc3c(c2)OCCO3)CC1 13016224 KOGRATKYGJJHDW-UHFFFAOYSA-N 449.529 1.822 0 40 IDAB CCCCN(C(=O)CSc1nnc2ccccn12)c1c(N)n(CCC)c(=O)[nH]c1=O 13072541 KDTIBMMSFFHYGU-UHFFFAOYSA-N 431.522 1.497 0 40 IDAB Cc1cccc(OC[C@@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 13483357 LVICUFOUHCMXII-INIZCTEOSA-N 427.505 1.552 0 40 IDAB O=C(Cn1c(CN2CCOCC2)nc2ccccc2c1=O)Nc1cccc2nsnc12 19080048 MQERMCWOLFLRLG-UHFFFAOYSA-N 436.497 1.872 0 40 IDAB O=C(c1ccccc1F)N1CCc2c(nc([C@@H]3CCN(C(=O)[C@@H]4CCCO4)C3)[nH]c2=O)C1 19347658 JVWSYLHVXFCQEY-KUHUBIRLSA-N 440.475 1.602 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)N3CCC[C@@H](C)C3)CC1)CNC2=O 19496458 DTHKSNQUMAYSDV-WAIKUNEKSA-N 429.517 1.827 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3oc(C)nc3C)CC1)C2=O 19700686 YZJRYBGHFNMADX-UHFFFAOYSA-N 431.537 1.940 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@@H]([C@H](C)O)N[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 20610711 JBPHKLSPHJFFQO-WRBHQVCWSA-N 449.507 1.613 0 40 IDAB COc1cc2ncn(CC(=O)N[C@H](C(=O)Nc3nccs3)C(C)C)c(=O)c2cc1OC 20763088 SZLGLFOVEZRDMZ-KRWDZBQOSA-N 445.501 1.650 0 40 IDAB biogenic CCOC(=O)Cc1csc(SCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)n1 21311053 QJZDPNUCSFVAEN-UHFFFAOYSA-N 429.545 1.935 0 40 IDAB CN1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccc(F)cc2)CC1 22795132 WDCBBGZJSWUJEU-IBGZPJMESA-N 435.521 1.864 0 40 IDAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)COc3ccccc3F)CC2)cc1 23134966 OAQKWMKKNKHXFL-UHFFFAOYSA-N 440.479 1.923 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(CN3C(=O)NC4(CCCCC4)C3=O)CC2)cc1 23702371 ONKLFCHGCYWROW-UHFFFAOYSA-N 434.562 1.904 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(S(=O)(=O)c3cccs3)CC1)C2=O 23703325 JBHXEWKJRVXYEO-KDOFPFPSSA-N 426.564 1.513 0 40 IDAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 27105851 CCHKIWPCQIXJQE-UHFFFAOYSA-N 444.513 1.795 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)o1 40154138 CEFKPOLACMCFIK-UHFFFAOYSA-N 446.485 1.199 0 40 IDAB COc1ccc(CCS(=O)(=O)NCC2CCN(C(=O)c3snnc3C)CC2)cc1 43958277 UXKYUKXDUIYVTN-UHFFFAOYSA-N 438.575 1.869 0 40 IDAB COc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 139075182 MVFVZKWDNSHGHH-UHFFFAOYSA-N 434.470 1.999 0 40 IDAB C[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)C[C@H]3C(=O)Nc2ccc3c(c2)OCO3)C1 139080335 LMHXCPTYPCMWEG-DGCLKSJQSA-N 425.445 1.799 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCSc2nc(C)n[nH]2)c(C)c1 222817351 QESXGMZPWGBBMJ-UHFFFAOYSA-N 441.579 1.739 0 40 IDAB COc1cccc(OC)c1CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 222890734 KVVOXJAJSGLCCA-UHFFFAOYSA-N 448.541 1.974 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222897367 IZDLWHIAAHGXHY-INIZCTEOSA-N 435.521 1.798 0 40 IDAB Cn1cc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNCc4ccccc4Cl)[C@@H](O)[C@H]3O2)cn1 225517065 JXYTVZVACUGEOD-MAWREPJSSA-N 434.924 1.155 0 40 IDAB biogenic,in-vitro O=C(NC1CC1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(Cc1cccs1)[C@H]3C(=O)NC1CCCC1 245227450 NJLJHIDQRZZBGL-WWGUSRDYSA-N 441.553 1.736 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 253407564 JZMHEXPQRVKICL-BRWVUGGUSA-N 435.480 1.618 0 40 IDAB Cc1c(C(=O)NC[C@@H]2CCN(C)C2)sc2ncc(C(=O)NC[C@@H]3CCN(C)C3)cc12 522832416 KIFVFILRRPAQJH-HOTGVXAUSA-N 429.590 1.968 0 40 IDAB Cn1c(C(=O)NCCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)cc2ccccc21 524731878 NOOLKEBXECYXMM-SFHVURJKSA-N 447.495 1.555 0 40 IDAB biogenic CN1c2cc(F)c(NS(=O)(=O)c3ccc4oc(=O)n(C)c4c3)cc2N(C)S1(=O)=O 575612366 LZVGLAIMGVESJI-UHFFFAOYSA-N 442.450 1.202 0 40 IDAB CCOc1ccc(S(=O)(=O)N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)cc1C 1888921927 CBVIPCHXYLDULV-IAGOWNOFSA-N 442.545 1.897 0 40 IDAB Cc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1S(=O)(=O)N1CCOCC1 3301922 YYATVDYAOOAVRM-UHFFFAOYSA-N 438.527 1.551 0 40 IDAB CC(C)Cn1c(N)c(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)[nH]c1=O 3450766 NYGNGQXLUVMDIO-UHFFFAOYSA-N 434.518 1.180 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCn3ccnc3)C2)cc1 9059599 SXYVMXLCDAMJIC-KRWDZBQOSA-N 433.534 1.449 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)N1CCCC[C@H]1c1nc3ccccc3s1)c(=O)n2C 9378097 FSIJUMUXAOLPQC-AWEZNQCLSA-N 438.513 1.797 0 40 IDAB COc1cccc(-n2cnnc2SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 9378680 CJSJHOQZDBYPBX-UHFFFAOYSA-N 444.517 1.900 0 40 IDAB O=C(Cn1cnc2c(nnn2-c2ccc(Br)cc2)c1=O)NC[C@@H]1CCCO1 9517794 FLVPZOUGEVUQGV-ZDUSSCGKSA-N 433.266 1.035 0 40 IDAB COCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OC)c(Cl)c2)n(C)c1=O 10102545 ICYRKKPTTFVYHB-LBPRGKRZSA-N 433.896 1.993 0 40 IDAB COc1ccc(-c2cc(NS(=O)(=O)c3c[nH]cn3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 11795833 YZNVVTZWLRARLI-ZDUSSCGKSA-N 437.503 1.442 0 40 IDAB C[C@H]1CCCC[C@]12NC(=O)N(CN(C)CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O 12517467 ARDNVYDPDIAYKS-SBUREZEXSA-N 443.548 1.852 0 40 IDAB CCOC(=O)C1=C(CN(CC)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)NC(=O)N[C@@H]1C 13059972 ZBKNYCAOSYPIRC-LLVKDONJSA-N 433.896 1.917 0 40 IDAB CCCn1c(N)c(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c(=O)[nH]c1=O 13109763 RRZOUVWZYDDCQH-UHFFFAOYSA-N 426.502 1.962 0 40 IDAB CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2cccs2)cc1 13372055 VQCCTYOHTTXBLZ-ROUUACIJSA-N 429.585 1.918 0 40 IDAB COc1ccc(Nc2nc(N)nc(CN3CCN(C(=O)c4ccco4)CC3)n2)c(OC)c1 13637095 KBRUFKWNAFTISK-UHFFFAOYSA-N 439.476 1.766 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c(=O)c2C1 19592906 FTUNVKZPCHIZFY-GOSISDBHSA-N 428.464 1.808 0 40 IDAB COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)[nH]c2c1 19940403 DKXHJFUPSILEGJ-NRFANRHFSA-N 432.484 1.993 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 22087118 LTAUZDVBFJAPOM-NRFANRHFSA-N 444.513 1.470 0 40 IDAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCN(C)CC2)cc1 22796635 QURCJBSIRAPDRH-HXUWFJFHSA-N 438.528 1.810 0 40 IDAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)CS2 23078699 NKJMDGHRLHAUDV-YJBOKZPZSA-N 445.513 1.252 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 23115816 XYSQWYZQCHAUOU-UHFFFAOYSA-N 442.501 1.904 0 40 IDAB Cc1cccc(NC(=O)CNC(=O)c2ccc3c(=O)[nH]c(CN4CCOCC4)nc3c2)c1C 23508465 UDHPVLRUIOTOHW-UHFFFAOYSA-N 449.511 1.741 0 40 IDAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)NN1C(=O)NC2(CCCCC2)C1=O 23717463 NRDZXHSKPITDOU-NSHDSACASA-N 440.551 1.507 0 40 IDAB O=C(CN1CCN([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1)N1CCCCC1 24829145 SGPKARZTWNCMAV-GOSISDBHSA-N 436.915 1.741 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1OC 26111911 DTCOZBZFCSCDHG-AWEZNQCLSA-N 447.513 1.764 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CCn1nc2ccccn2c1=O 26907991 YIVOMNRCNOXLFN-OAQYLSRUSA-N 431.500 1.472 0 40 IDAB COc1ccc(CC(=O)N2CCN(c3nc4c(C)nn(C)c4c(=O)n3C(C)C)CC2)cc1 28556910 FHMPMSKKYSFFBV-UHFFFAOYSA-N 438.532 1.919 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)CC1 35378104 QVQBQOSOQNXYLD-UHFFFAOYSA-N 426.882 1.553 0 40 IDAB C[C@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)N1CCCCCC1 36758002 YNOIUFYLLUDIMH-INIZCTEOSA-N 426.608 1.901 0 40 IDAB CC(C)[C@@H](OC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)NC(N)=O 39581801 UEAQYRUWQAHOHD-QGZVFWFLSA-N 433.486 1.541 0 40 IDAB CCCN(CC(=O)N(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 40157850 SKRAMLUFQJIQHH-UHFFFAOYSA-N 435.590 1.903 0 40 IDAB O=C(CCn1cnc2ccccc2c1=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O 43972842 PGVGDYULULEOEB-UHFFFAOYSA-N 433.443 1.966 0 40 IDAB O=c1[nH]c(CNc2ccc(Br)cc2)nn1Cc1nnnn1-c1ccccc1 61718199 IZWBNHLGSIUIIX-UHFFFAOYSA-N 427.266 1.970 0 40 IDAB CCN1CCN(CCNC(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 72339110 PUGIRCRHHJYSCK-OMANQYLTSA-N 426.561 1.695 0 40 IDAB COC(=O)c1ccccc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 95442141 DTXBYASOAQVVMJ-UHFFFAOYSA-N 446.525 1.948 0 40 IDAB C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 100771990 RSCLXFAWZIXTNW-KBXIAJHMSA-N 443.566 1.808 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)c2snnc2C)sc2cc(S(C)(=O)=O)ccc21 100877944 ZRPRLYNOCJCXHD-MSUUIHNZSA-N 440.528 1.570 0 40 IDAB O=C(NC1CC1)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)[C@H]13 245227448 NJLJHIDQRZZBGL-BYXWFHEMSA-N 441.553 1.736 0 40 IDAB CNc1nc([C@H]2CCN(S(=O)(=O)c3cc(F)ccc3OC)C2)nc2c1CCN(C)C2 257206083 BBTCVAONYMEDGI-ZDUSSCGKSA-N 435.525 1.832 0 40 IDAB COCCn1cnc2cc(C(=O)N(C)C[C@@]3(O)CCCN(c4cc(C)ncn4)C3)ccc21 257282040 OSBUMIRGMFTOSP-QHCPKHFHSA-N 438.532 1.885 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCSc2ncn[nH]2)C1 260752384 YHWLNWLISVNAJG-AWEZNQCLSA-N 439.563 1.431 0 40 IDAB COC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 408613413 WYOAUDYVHDAVHS-CQSZACIVSA-N 438.477 1.943 0 40 IDAB O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1C[C@@H](O)CN1CCc2ccccc2C1 501974092 AMBXSCISMAPFQU-JYFHCDHNSA-N 448.567 1.992 0 40 IDAB CN(C)C(=O)[C@@H]1CN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)CCN(S(C)(=O)=O)C1 585282324 DMKSSUHGPHNCJQ-SJBKTWHCSA-N 437.606 1.357 0 40 IDAB C[C@@H]1COc2ccccc2CCCCC2(CCN(C(=O)Cn3cnnn3)CC2)C(=O)N1 643571308 FHZMIAORGSEVRD-QGZVFWFLSA-N 426.521 1.592 0 40 IDAB O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363921 OPEUXPMXYDDHQN-SFHVURJKSA-N 440.529 1.422 0 40 IDAB Nc1ccc(S(=O)(=O)NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 8615731 LLTJNSAHGGYKQQ-UHFFFAOYSA-N 432.554 1.740 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1cccnc1 9422918 PNRJLNIELSNKCJ-CQSZACIVSA-N 436.921 1.891 0 40 IDAB COc1ccc(CCN2C[C@H](C(=O)OCC(=O)NC(=O)NC(C)(C)C)CC2=O)cc1OC 9662070 JZIQJNXXBFXUFA-OAHLLOKOSA-N 449.504 1.262 0 40 IDAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(Br)o2)c(=O)n(C)c1=O 10802197 OUJPRLXIXFLGNT-UHFFFAOYSA-N 428.239 1.180 0 40 IDAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(F)cc3)cc2)C1=O 11904922 VVGBQGSMEVNIMJ-CYBMUJFWSA-N 426.491 1.659 0 40 IDAB O=C1CC(=O)Nc2cc(S(=O)(=O)N[C@@H](CN3CCOCC3)c3ccccc3)ccc2N1 12762732 JONMRSIZHDCYQE-IBGZPJMESA-N 444.513 1.319 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 13116922 ZPVQKSQMEZMOGR-UHFFFAOYSA-N 426.498 1.980 0 40 IDAB CCn1cc(C(=O)NCC(=O)N2CCCC[C@H]2CCO)c(=O)c2cc3c(cc21)OCO3 13630119 HZQJKDIZVXGOJS-AWEZNQCLSA-N 429.473 1.243 0 40 IDAB O=C1NCCN[C@H]1CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 17095808 GRSSZSHPSPKDQT-FQEVSTJZSA-N 428.483 1.677 0 40 IDAB O=C(NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21)c1cnccn1 17156158 SJVSXLPGAKFQAS-UHFFFAOYSA-N 447.478 1.512 0 40 IDAB CC[C@H]1C(=O)NCCN1CC(=O)N1C[C@@H](c2csnn2)[C@H](c2cccc(OC)c2)C1 19500864 CEUFKZQPFITOAR-SCTDSRPQSA-N 429.546 1.467 0 40 IDAB CCCN1CCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cc(Cl)ccc2N3)CC1 19503395 QFNGGBNTISENMQ-QFIPXVFZSA-N 447.967 1.758 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@H](C)N3CCCC3)CC1)C2=O 19699379 GCQMXYNIMBGZJO-KRWDZBQOSA-N 447.580 1.031 0 40 IDAB O=C(COC(=O)CCn1nc(-c2cccs2)oc1=O)NC(=O)NCc1cccs1 21738647 UKPDMTNVMXAVAM-UHFFFAOYSA-N 436.471 1.586 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1 22389811 DPVOWURWJHLEPB-UHFFFAOYSA-N 447.485 1.620 0 40 IDAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccc(N2CCCCCC2)cc1 22801068 AMYOMSURQYRFNS-NRFANRHFSA-N 434.606 1.810 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)CC1 24610440 JTFLYJZZEFWLAX-UHFFFAOYSA-N 427.954 1.606 0 40 IDAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCN(c2ccc3nnnn3n2)CC1 25531720 HDNQAVCPYCKIRA-UHFFFAOYSA-N 438.473 1.755 0 40 IDAB CCn1c(N2CCN(C(=O)COc3ccccc3Cl)CC2)nc2c(C)nn(C)c2c1=O 28559052 LWSJCXHVUSOSSV-UHFFFAOYSA-N 444.923 1.839 0 40 IDAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 28914707 WXZPAOVYWOKXMO-CQSZACIVSA-N 431.518 1.718 0 40 IDAB Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 35343883 LLRKUQFMSXJMAR-UHFFFAOYSA-N 440.499 1.515 0 40 IDAB O=S1(=O)CC[C@H](N(Cc2cccs2)Cn2nnn(C[C@H]3CCCO3)c2=S)C1 36403508 ZEVGJXSGUSQAAU-UONOGXRCSA-N 429.593 1.696 0 40 IDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 40040150 MPWBSQYKPKEKNB-STQMWFEESA-N 445.925 1.518 0 40 IDAB CN1CCN(c2nc(N3CCC(C(N)=O)CC3)c3cnn(-c4ccc(F)cc4)c3n2)CC1 40287799 YTSCEFYBOISWSQ-UHFFFAOYSA-N 438.511 1.408 0 40 IDAB O=C(Oc1ccccc1)N1CCC(CNS(=O)(=O)CCN2C(=O)CCCC2=O)CC1 43957265 ZJCMYEXLLBCOIL-UHFFFAOYSA-N 437.518 1.356 0 40 IDAB C[C@@]1(NC(=O)CN2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)CCS(=O)(=O)C1 72327581 XQYSTVNSGIYMQW-NHCUHLMSSA-N 434.514 1.097 0 40 IDAB O=C(NCCN1CCOCC1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95478035 XKGFODKDPVMJSW-LBPRGKRZSA-N 436.310 1.127 0 40 IDAB COc1ccc(CN2C[C@@]34CN(C(=O)c5ccccc5)C[C@@H](C[C@@H]3S2(=O)=O)O4)cc1 96145957 URRZTCMRVMYDHX-URVUXULASA-N 428.510 1.893 0 40 IDAB O=C(NCc1cccnc1)C1=NO[C@]2(CCCN(S(=O)(=O)c3ccccc3F)C2)C1 96225103 XSIZYTYQJZYKBI-HXUWFJFHSA-N 432.477 1.837 0 40 IDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 100251650 WZRCDLPEIZROLC-ORGXJRBJSA-N 443.408 1.163 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)s1 223253506 SHGMPRRLUNHVHQ-UHFFFAOYSA-N 438.491 1.766 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCCOc1ccccc1OC)c1ccc2c(c1)OCO2 224160445 NAUGBTKEYWPUHB-UHFFFAOYSA-N 436.486 1.775 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 224218722 LMTSLYDDWGHDNN-UHFFFAOYSA-N 441.531 1.117 0 40 IDAB CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)CN(C(=O)c3ccccn3)CC2)C1 306127044 FMLSCCIEQRCONQ-QHCPKHFHSA-N 436.516 1.302 0 40 IDAB COc1cc(CN(C)C[C@@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OCCN(C)C 585270639 AKBZUBILDSJUIO-QHCPKHFHSA-N 429.565 1.807 0 40 IDAB COc1cc(N2CCN(C(=O)C[C@@H]3CSc4nc(C)c(C)c(=O)n43)CC2=O)ccn1 1776008036 ULZOFBSLNXBRSM-OAHLLOKOSA-N 429.502 1.176 0 40 IDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888885433 ITHDLSDKJCEUEX-VVBPWWLESA-N 432.496 1.651 0 40 IDAB CCOc1ccc(N2CCn3c2nn(CC(=O)NCCc2ccccc2)c(=O)c3=O)cc1 8849475 ULFWTRYSVKJBEX-UHFFFAOYSA-N 435.484 1.314 0 40 IDAB CC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(N(C(=O)c3ccncc3)S(C)(=O)=O)cc12 8870469 CYDCWPMFOFKAHZ-UHFFFAOYSA-N 449.510 1.961 0 40 IDAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)nnc12 9127753 AEXGAUSLHGJYLN-ZDUSSCGKSA-N 449.558 1.192 0 40 IDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1cc2c(cc1OC)C[C@@H](C)O2 9223368 CWIMTYJHHZATDP-HVMMPBATSA-N 436.530 1.184 0 40 IDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)Cn1cnc2ccccc2c1=O 9254960 YWCUDVWZQDWIFC-UHFFFAOYSA-N 442.859 1.690 0 40 IDAB Cn1ccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 9637852 JCGIJCYMHFIDLQ-FQEVSTJZSA-N 440.525 1.960 0 40 IDAB O=C(NCc1ccco1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 10219892 RJWNAUUKNCICNH-UHFFFAOYSA-N 434.861 1.802 0 40 IDAB C[C@@H]1CN(C(=O)CN2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc3C2=O)C[C@@H](C)O1 12086705 QQRNJFYYRKHADD-SEPYTNNBSA-N 429.517 1.538 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2scnc2C)C[C@@H]1C(=O)N(C)C 12125444 JFETWSWNOKSLCB-VGSWGCGISA-N 442.541 1.735 0 40 IDAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)nc(N3CCN(c4ncccn4)CC3)n2)c1 12163701 YNEDCZXPTDEOEZ-RBUKOAKNSA-N 433.516 1.778 0 40 IDAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1 12745889 DLUYUOYBBFBDBY-JOCHJYFZSA-N 447.455 1.661 0 40 IDAB CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 13069133 LYJUWEWDPMHXSB-QGZVFWFLSA-N 428.576 1.756 0 40 IDAB Cc1nnc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)s1 15883695 YNPQAEZOKJSGRG-UHFFFAOYSA-N 434.547 1.721 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(S[C@@H](C(=O)N(C)C)c3ccccc3)nc2)CC1 17934838 GTQOPSOKCCWJTD-LJQANCHMSA-N 434.587 1.939 0 40 IDAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 23078870 QKQMXVUCZHOTHO-AWEZNQCLSA-N 441.488 1.436 0 40 IDAB O=C(NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccccc2)cc1 23990029 SVINRAMEERBJBW-OAQYLSRUSA-N 441.553 1.415 0 40 IDAB C[C@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 25063152 KTIUHVUBERCLPZ-HOCLYGCPSA-N 431.514 1.552 0 40 IDAB Cn1ncc2c1CCC[C@H]2NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 31593772 OVUFJGIUGMITOM-AEFFLSMTSA-N 446.529 1.538 0 40 IDAB CC[C@H](C)C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc(C)ccc1C 35291085 QISLRHVBHDEYKR-HNNXBMFYSA-N 440.548 1.673 0 40 IDAB Cc1ccc2c(c1)N(C(=O)Cn1c(=O)n(C)c(=O)c3sc(N4CCCC4)nc31)CCO2 57520629 RURGOVLLBVSNTJ-UHFFFAOYSA-N 441.513 1.491 0 40 IDAB COCCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 84678165 CVGPIUGKDFLQDC-CYBMUJFWSA-N 427.548 1.243 0 40 IDAB C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1 95959107 CJVXMDIESHIILA-ZIAGYGMSSA-N 442.559 1.958 0 40 IDAB CCOc1cccc(N2C(=O)C[C@H](N3CCN(CC(=O)Nc4ccccc4)CC3)C2=O)c1 100144186 AGCFZWHIQVSMRC-NRFANRHFSA-N 436.512 1.974 0 40 IDAB CN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 219271333 BNQIUKVSUAPSHO-CQSZACIVSA-N 434.499 1.984 0 40 IDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)cc1 222666249 FFXQPJJTPMBGHP-IBGZPJMESA-N 448.497 1.721 0 40 IDAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CCN(CC(=O)Nc1ccc(OC)cc1)C2 257233917 GRJCGBMGDUDMEA-INIZCTEOSA-N 438.532 1.860 0 40 IDAB O=S1(=O)C[C@@H](O)[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cccc3cccnc23)C1 575426027 KYPFHWXKYCFZBU-ZWKOTPCHSA-N 432.523 1.584 0 40 IDAB CC(=O)N1CCC(N[C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(-c3cccnc3)n2)CC1 604382265 MQAYIINZYPLLCS-GXRSIYKFSA-N 425.533 1.040 0 40 IDAB biogenic,in-vitro CS(=O)(=O)CCC(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 1142529125 HHIHYPMWUNTYBR-GOSISDBHSA-N 427.910 1.851 0 40 IDAB C=CC(=O)N1CCC(C(=O)N[C@@H](CO)C(=O)OCc2ccccc2)(c2ccccc2)CC1 1624474068 NAKSPVQPEZQJRA-NRFANRHFSA-N 436.508 1.953 0 40 IDAB COc1ccccc1-n1c(=O)c2cc3c(=O)n(-c4ccccc4OC)c(=O)c3cc2c1=O 820917 ZWFSTXYAMFERAV-UHFFFAOYSA-N 428.400 1.908 0 40 IDAB CCn1nc(C)c(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c1C 2732959 LKXSOMWKMWZSPZ-QGZVFWFLSA-N 436.582 1.621 0 40 IDAB C[C@H]1CC(=O)NN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 8772223 LKGWFJMTMSQTSR-ZDUSSCGKSA-N 428.942 1.969 0 40 IDAB CC[C@@H](C)N(C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 9634662 BKQNPAHAWGUXCE-HIFRSBDPSA-N 431.532 1.061 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)CC1 10186745 CFHGNJIMOVMMDW-UHFFFAOYSA-N 446.529 1.766 0 40 IDAB COc1cc2ncn(CCCC(=O)O[C@@H](C(N)=O)c3ccccc3)c(=O)c2cc1OC 10915602 XMSODAXQCFVECE-HXUWFJFHSA-N 425.441 1.964 0 40 IDAB CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1C 11530119 XFJQEVFUWIXIKL-UHFFFAOYSA-N 427.413 1.238 0 40 IDAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)c1 12030711 KQHPZPKDVCSJSF-KRWDZBQOSA-N 437.495 1.686 0 40 IDAB COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)nn1 12440267 QNMZPGZNLKPOSQ-UHFFFAOYSA-N 431.518 1.232 0 40 IDAB CN(C)S(=O)(=O)c1cccc(COC(=O)C2(CC(=O)N3CCOCC3)CCCC2)c1 12904938 PRVDXPADPUQGHI-UHFFFAOYSA-N 438.546 1.789 0 40 IDAB CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c1 15856642 PLWGSVBBRNCHAK-ZDUSSCGKSA-N 445.497 1.904 0 40 IDAB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 15958473 JDNBUCYFCINGLN-DOGKRZLPSA-N 432.480 1.494 0 40 IDAB biogenic O=C(OCc1cc(=O)n2ccccc2n1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 18378815 MVIJKIOJQNJYMV-INIZCTEOSA-N 438.465 1.351 0 40 IDAB CC(=O)N1CCCN(CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)CC1 19017659 IQBVAMXMRKLJIX-UHFFFAOYSA-N 429.565 1.230 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1F 20104267 KGRHMYMSPRQLJG-UHFFFAOYSA-N 438.500 1.926 0 40 IDAB Cc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 22228705 FABSWTBAHDHNNP-UHFFFAOYSA-N 445.541 1.622 0 40 IDAB C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22335805 MGCWSQAJHBDRBW-CYBMUJFWSA-N 428.507 1.873 0 40 IDAB Cc1cccn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)nc12 23718399 CWDRKZRSAVJVIW-UHFFFAOYSA-N 438.553 1.998 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 23819210 YVAICCRQQYDXHR-HSZRJFAPSA-N 433.468 1.739 0 40 IDAB CCOC(=O)N1CCC(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)CC1 32745135 WWFGDHZZXUCRSW-UHFFFAOYSA-N 440.518 1.439 0 40 IDAB CCCNC(=O)CSc1nnc2n(CCC(=O)N[C@H](C)CC)c(=O)c3ccccc3n12 33292170 CFCQTXNPMTVBBO-CQSZACIVSA-N 444.561 1.967 0 40 IDAB CNC(=O)Cn1nnn(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c1=O 77100218 ZFVABHCSVUXSQJ-UHFFFAOYSA-N 435.366 1.838 0 40 IDAB CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NCC[C@H](O)c3cccs3)cc21 77115809 FYZVGLJMOZIAIY-INIZCTEOSA-N 437.543 1.639 0 40 IDAB Cc1cccc(CN2CCN(C(=O)CN[C@H](c3nc(-c4nc[nH]n4)no3)C(C)C)CC2)c1 97141119 AFFWEWAEZWPDKM-IBGZPJMESA-N 438.536 1.794 0 40 IDAB CCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O 102860733 RZSSLCQNNAGTQY-LCWAXJCOSA-N 431.482 1.239 0 40 IDAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)N(C)S(=O)(=O)N1 208532136 MTDFYNOINMSZHE-GJZGRUSLSA-N 447.439 1.845 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1OC 225603714 XYRMUXVCXFKUOW-UHFFFAOYSA-N 434.518 1.383 0 40 IDAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCO)cc1OC 408774156 AJPPZVWITFBTSJ-UHFFFAOYSA-N 436.530 1.436 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(c1cccc(O)c1)[C@@H]1CS(=O)(=O)C[C@H]1O 575421085 HOJUARLTUPAVCM-HZPDHXFCSA-N 427.500 1.062 0 40 IDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575426737 ZDULZBCVZCUOJT-HOTGVXAUSA-N 440.499 1.064 0 40 IDAB CC[C@H](C)[C@H](NC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O)C(N)=O 604405929 XDAHCMQFGLPHPM-SZEPBZDZSA-N 432.473 1.906 0 40 IDAB biogenic CC(=O)c1cc(C(=O)N2CCC3(CC2)OCCn2c(CN(C)CC4CC4)cnc23)n[nH]1 1565556782 VOQXPHPHJZTDGD-UHFFFAOYSA-N 426.521 1.812 0 40 IDAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 8848913 GUEIECZFWWTUEM-UHFFFAOYSA-N 439.403 1.106 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cn3c(C)cccc3n2)c(=O)[nH]c1=O 9644933 OKAAVMIOIIKDIL-UHFFFAOYSA-N 448.483 1.568 0 40 IDAB Cc1nn(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C)c1S(=O)(=O)N(C)C 9691417 CUXLNCLWIVMPSF-QGZVFWFLSA-N 448.545 1.885 0 40 IDAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9767620 JENPVNPJFWDLIJ-JKSUJKDBSA-N 436.559 1.759 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 9986055 YPMWFBXUMXGFFH-DHZHZOJOSA-N 446.481 1.838 0 40 IDAB COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(O)c(OC)c1 10273364 AYWVTOONSPCCTH-LJQANCHMSA-N 446.481 1.964 0 40 IDAB O=C(CCn1nc(O)c2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 12685390 ODYUBXVFLPGKHV-UHFFFAOYSA-N 436.468 1.565 0 40 IDAB COc1ccc2nc(C(=O)N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)ccc2c1 12938506 JRKDRJZDVAZGRX-UHFFFAOYSA-N 430.486 1.995 0 40 IDAB CSCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)O 13117773 UJYYIICGCLGEOJ-DVOMOZLQSA-N 430.548 1.421 0 40 IDAB Cc1sc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(C)c(=O)c2c1C 13514242 YRNKQVYJIVGXDR-UHFFFAOYSA-N 438.556 1.990 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1=O 14140593 GCSKFSYCPCODMO-OAQYLSRUSA-N 444.513 1.733 0 40 IDAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCC(=O)N1CCCC1 14170790 UKIHRQFGEPOMAP-HNNXBMFYSA-N 431.555 1.354 0 40 IDAB CCc1cccc2c1NC(=O)[C@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15968489 TYWOLZGGOZTIIF-BXZFZZQJSA-N 433.508 1.593 0 40 IDAB Cc1nc(C2CCN(S(=O)(=O)N3CCOCC3)CC2)nc2c1CCC(=O)N2CC1CC1 19739406 VSKRNFCSWRYORX-UHFFFAOYSA-N 449.577 1.231 0 40 IDAB CCN1CCN([C@@H](c2cc3cc(C)cc(C)c3[nH]c2=O)c2nnnn2CCOC)CC1 20083095 MBHDLZCDRAHWLK-FQEVSTJZSA-N 425.537 1.505 0 40 IDAB Cc1ccc(C(=O)NCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F 26076946 NCWVGENRQVGVRU-UHFFFAOYSA-N 449.504 1.315 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)cc1 30586436 MIHIHOOPTWIEQW-CABCVRRESA-N 435.468 1.790 0 40 IDAB Cc1ccc(N2N=C(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)NCC2=O)cc1 32807599 QBWIAZUSFHYCQX-KRWDZBQOSA-N 435.484 1.792 0 40 IDAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 32882285 FBQGCWJBYNMLMO-HSZRJFAPSA-N 434.452 1.905 0 40 IDAB CCCn1c(N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C 36006188 JXNDKOHAEXJZAA-UHFFFAOYSA-N 449.515 1.320 0 40 IDAB C[C@@H](O)CCN(C)C(=O)C(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 84637185 ORSPAHPPVMYPLU-GFCCVEGCSA-N 431.420 1.975 0 40 IDAB COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 100433341 AZEDTEXNIKJYFQ-SSEXGKCCSA-N 431.514 1.858 0 40 IDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 223280125 FLIIRDDNQINIOY-UHFFFAOYSA-N 438.458 1.416 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224269619 INVKIAFKMYYLHB-UHFFFAOYSA-N 448.950 1.956 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc(O)c4c(n3)CN(S(C)(=O)=O)CC4)C2)CC1 257239529 HPTBOHXUSOYWJN-RBSFLKMASA-N 438.550 1.021 0 40 IDAB Nc1nc(N)c2c(n1)O[C@@]1(CCCN(C(=O)CCNc3ncnc4ccccc34)CC1)C2 257248681 JETHNQSJVSNOFL-JOCHJYFZSA-N 434.504 1.773 0 40 IDAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)CN1CCc3ccccc3C1)CC2 257255450 KHNHVRIFRWCJKR-FQEVSTJZSA-N 448.571 1.797 0 40 IDAB CO[C@H]1c2c(ccc(C(=O)N3CCC(C(N)=O)CC3)c2O)O[C@@H]2C[C@H]3C[C@H](C3(C)C)[C@]12O 257292278 QKTMJCQZXQUNQR-HLVXHJOFSA-N 444.528 1.975 0 40 IDAB Cn1ccc2ccn(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)c21 575414979 VPCGDWBPDWIXHW-UHFFFAOYSA-N 428.514 1.555 0 40 IDAB O=C(Cc1ccccc1)N1CCC2(CC1)CCn1c2nn(Cc2cccnc2)c(=O)c1=O 585106521 ILXGMNRUTWNZHT-UHFFFAOYSA-N 431.496 1.355 0 40 IDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cncc(Br)c5)C[C@H]4C3)nn12 1888890660 QVLZPSDBYGNSBR-OKILXGFUSA-N 428.294 1.799 0 40 IDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C 3360392 NANJMNSIEQPQBU-GJZGRUSLSA-N 427.523 1.364 0 40 IDAB O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 9257195 YAFRBQFULWTNAA-MRXNPFEDSA-N 438.527 1.784 0 40 IDAB Cc1c(NC(=O)[C@H](C)Sc2nnnn2C[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 9316719 PHFPZEGJXCMZIY-HOCLYGCPSA-N 443.533 1.769 0 40 IDAB COc1cc(C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1OC(F)F 12535024 YTSPOSPLXYUMHL-UHFFFAOYSA-N 438.387 1.291 0 40 IDAB O=c1c2ccccc2nnn1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12630918 HDUHKFHFHAFUEV-UHFFFAOYSA-N 435.509 1.909 0 40 IDAB CCc1nn2c(=O)cc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)nc2s1 12794015 BDEDXHSRAJTYLD-LJQANCHMSA-N 427.442 1.409 0 40 IDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CN3C(=O)CCOc4ccccc43)CC2)C1 12915908 JEPAJCOHMYNAQN-RTBURBONSA-N 442.560 1.451 0 40 IDAB NC(=O)CC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16009746 PXGZMBIMSTYNMD-NZQNYPKQSA-N 436.443 1.012 0 40 IDAB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16022183 SCWXIHJWDBJOSQ-VKDGWMQASA-N 437.471 1.825 0 40 IDAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)C2=O)cc1 17099511 UCOUGHNJGNQGCD-WIYYLYMNSA-N 435.480 1.611 0 40 IDAB Cc1ccnc(-n2c(SCC(=O)O[C@@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)c1 17101678 FOFREMLKIXFGOD-CQSZACIVSA-N 445.522 1.912 0 40 IDAB COc1cc(CN2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)ccc1OCC(N)=O 19693647 AXKMOKRCACGQQN-QFIPXVFZSA-N 435.484 1.985 0 40 IDAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)C2)ncc1C(N)=O 19763703 QYNQAKITJHNLPW-MRXNPFEDSA-N 436.516 1.413 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)CCN2CCC(C(=O)NCc3ccccc3)CC2)cc1 22199682 XDMWEOANYMLYSK-UHFFFAOYSA-N 444.557 1.691 0 40 IDAB O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCN(c2nccs2)CC1 22699668 KULXBXMCLFVFLH-INIZCTEOSA-N 436.559 1.563 0 40 IDAB COc1cccc(OC)c1C(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134801 UGBDTFQWSBNVRU-UHFFFAOYSA-N 444.442 1.916 0 40 IDAB Cc1ccc(NC(=O)Cn2nc([C@H]3CCCN(S(C)(=O)=O)C3)n(C)c2=O)cc1Cl 23141223 YBAQUEKZJHYKHM-ZDUSSCGKSA-N 441.941 1.321 0 40 IDAB CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 24928734 SODLDTBFUZSGKN-GJZGRUSLSA-N 431.352 1.849 0 40 IDAB O=C(NCC(F)(F)F)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 28333803 WOUBJXVTGDGRQB-UHFFFAOYSA-N 433.452 1.893 0 40 IDAB COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 35681040 IEGGQHKRRZVHNF-UHFFFAOYSA-N 448.570 1.758 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1nc(-c2cccnc2)no1 58245584 KTGOJGKJTDBBKL-HNNXBMFYSA-N 442.457 1.337 0 40 IDAB CS(=O)(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 78903232 ATJPVNJTTZEUCC-HNNXBMFYSA-N 446.367 1.674 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN(C)Cc1ccc(C(=O)NC)cc1)n2CC 95348536 VRPGGNFSYCBXDK-UHFFFAOYSA-N 426.521 1.698 0 40 IDAB CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 95451536 ITVWJGGLNUDEFC-CQSZACIVSA-N 440.543 1.424 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 222420898 YLSQRBGVXXVIPG-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB COc1ccc(C(=O)NCCSc2ncn[nH]2)cc1S(=O)(=O)N1CCCCC1 222916023 ZOOBPCJCUISZNW-UHFFFAOYSA-N 425.536 1.510 0 40 IDAB O=C(CSc1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224430556 VZVOZZDHGVYDGR-UHFFFAOYSA-N 436.555 1.995 0 40 IDAB CN1C[C@H](C(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3cccc(F)c3F)cc2)CC1=O 257341683 ZLKPOKQGWKFBGM-VQIMIIECSA-N 427.451 1.980 0 40 IDAB COc1ccc(S(=O)(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1C 575608328 SJABFUIGZBIDCD-UHFFFAOYSA-N 448.549 1.104 0 40 IDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888885435 ITHDLSDKJCEUEX-XCGNWRKASA-N 432.496 1.651 0 40 IDAB Cc1cccc2c1NC(=O)[C@@]21N[C@H](CCC(=O)O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 2132002 CNUXTOQYWCNBPK-SAQZZPNQSA-N 425.485 1.913 0 40 IDAB biogenic COc1ccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 3348119 XOWQRMXVUDNKRD-UHFFFAOYSA-N 448.497 1.189 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@@H](C)C(=O)N2CCC3(CC2)NCCc2[nH]cnc23)c1 8764806 RHDWFVXQJNVKSQ-AWEZNQCLSA-N 427.505 1.209 0 40 IDAB biogenic CCOc1ccccc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1 8848901 UFOFKDMYDCUOQC-UHFFFAOYSA-N 425.420 1.733 0 40 IDAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O 8987965 NGVSWCBMSIDOAC-OAQYLSRUSA-N 446.410 1.309 0 40 IDAB O=C(O)CC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 9130329 DERHFNHEHXFYBG-XNLPXUEMSA-N 447.875 1.104 0 40 IDAB NC(=O)C1CCN(C(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3ccccc32)CC1 9409968 LJESPGSNGQEUDX-UHFFFAOYSA-N 440.887 1.530 0 40 IDAB CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 10274106 VBMGCJNNWBLZKE-AWEZNQCLSA-N 435.912 1.975 0 40 IDAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 10734306 ZKJANBXPNILKEK-FRQCXROJSA-N 438.546 1.948 0 40 IDAB COc1ccc(CC(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 12163962 MNNGTPIPTFKPEU-UHFFFAOYSA-N 432.546 1.291 0 40 IDAB Cc1cc2c(cc1S(=O)(=O)Nc1cccc(C(=O)N3CCOCC3)c1)NC(=O)CO2 12446846 SKSZSLIZMWOSSJ-UHFFFAOYSA-N 431.470 1.599 0 40 IDAB COc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCOCC1 13519147 XIYGEQSMGANKFY-GOSISDBHSA-N 434.470 1.495 0 40 IDAB CCOC(=O)c1c(NC(=O)C(=O)NCCN2CCOCC2)sc2c1CC(C)(C)OC2 13592865 KWDDPJUSSJRWKG-UHFFFAOYSA-N 439.534 1.163 0 40 IDAB CC1CCN(C(=O)[C@H](C)OC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)CC1 14157194 JMEIOKYSEGJZCO-YJBOKZPZSA-N 435.546 1.940 0 40 IDAB Cn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nnc1-c1ccccc1F 14180312 XGPQLUWBSKOLOY-UHFFFAOYSA-N 432.481 1.999 0 40 IDAB NS(=O)(=O)c1cccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 14359203 VECZETCSHATDSG-UHFFFAOYSA-N 426.380 1.645 0 40 IDAB CCCCN1C(=O)NC(=O)[C@]2(Cc3c(nc4ccccn4c3=O)N3CCCCC[C@@H]32)C1=O 17016897 IUABTZSJJDEPRP-WAIKUNEKSA-N 437.500 1.865 0 40 IDAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCCN4CCCC4=O)C3)c2N)cc1 19558754 RBQWZIZTSOBMCR-MRXNPFEDSA-N 439.516 1.897 0 40 IDAB COc1c2c(cc3c1[C@H](c1c(O)n(Cc4ccccc4)c(=O)[nH]c1=O)N(C)CC3)OCO2 20111466 APQDIRFZJARDGZ-GOSISDBHSA-N 437.452 1.605 0 40 IDAB biogenic Cn1c(NCCCN2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 20332080 QYMSWYNUIKWNSX-UHFFFAOYSA-N 446.939 1.270 0 40 IDAB COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2OC)N2CCN(C)CC2)cc1 22795353 ONOACHZNVOKZAT-OAQYLSRUSA-N 440.544 1.425 0 40 IDAB O=c1[nH]c(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc2scc(-c3ccco3)c12 22807469 DPSOBQQQFQBYBN-CYBMUJFWSA-N 434.543 1.549 0 40 IDAB COC(=O)C[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 24493156 GUXMZTCLGREFOA-KRWDZBQOSA-N 429.498 1.844 0 40 IDAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCCCC1 24754652 ISOJIEXZMQPBQA-CQSZACIVSA-N 426.491 1.070 0 40 IDAB C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncnc4c3oc3ccccc34)CC2)C[C@@H](C)O1 26776441 TVOTVPUYHUTNSN-HUUCEWRRSA-N 431.518 1.852 0 40 IDAB CN(CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2c(=O)[nH]1 34874295 PGZZEYZTNKYTDB-QGZVFWFLSA-N 446.573 1.703 0 40 IDAB O=C(NCc1ccnc(OCc2ccccc2)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 48260593 NDLXCQQZKVLTNW-RBUKOAKNSA-N 443.525 1.312 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCNc2ccc(Nc3ccccn3)nn2)cc1 49422418 JNAQFRHGOJRRDF-UHFFFAOYSA-N 441.517 1.707 0 40 IDAB O=C(NC[C@H]1CCCO1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945817 LJDJQLAOZDDMDU-YLJYHZDGSA-N 444.507 1.693 0 40 IDAB COc1ccc(OC)c(CCN2CC(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 56998128 SPWCARZIVZOXHP-PMACEKPBSA-N 430.526 1.761 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)Cc2nc(Cc3ccccc3)no2)o1 58131000 NAFWRWPEDKJNIH-UHFFFAOYSA-N 425.488 1.619 0 40 IDAB COC(=O)[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 72309261 YHZNHJXVOIVUGI-INIZCTEOSA-N 448.900 1.280 0 40 IDAB COc1cccc(CNC(=O)CN2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)c1 72325785 FUTIPOINCNCGCB-UHFFFAOYSA-N 430.530 1.508 0 40 IDAB O=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1ccc(N2CCCCS2(=O)=O)cc1 77200874 SJGKPQGRXXCKDP-FQEVSTJZSA-N 436.555 1.729 0 40 IDAB COc1ccc(C(=O)N(C)[C@H]2CCC[C@H]2S(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 78899437 VKZOQLWQVNOQHQ-DOTOQJQBSA-N 444.575 1.517 0 40 IDAB CNC(=O)CN1Cc2c(C(=O)Nc3cc(C)ccn3)ncn2-c2ccccc2S1(=O)=O 96266250 MVSFETOFXHPPQT-UHFFFAOYSA-N 440.485 1.078 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)NCc4ccccc4)[C@@H]3C2=O)cc1Cl 101168926 QRQFQYWDQAJKGY-ROUUACIJSA-N 427.848 1.958 0 40 IDAB COc1ccc(OCCNC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 223655265 XCIXMMQFRTYFEQ-UHFFFAOYSA-N 438.502 1.674 0 40 IDAB COc1ccccc1N(CC(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O 224719371 WPPYOVJHFXSYLK-UHFFFAOYSA-N 447.557 1.610 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 225207903 VHGFWYNTYGLAHO-OAHLLOKOSA-N 429.498 1.385 0 40 IDAB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCN1CCOCC1 408630852 XBQRPHYLGRWXBU-UHFFFAOYSA-N 437.949 1.984 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 409271621 VLTSWVSZDCGPLC-UHFFFAOYSA-N 438.433 1.804 0 40 IDAB Cn1[nH]c(C2CCN(C(=O)CCNC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)nc1=N 647646351 SABZIWGQETYHPW-UHFFFAOYSA-N 429.569 1.592 0 40 IDAB CCc1nc(N2C[C@H]3CN(C(=O)Cn4c(=O)oc5ccccc54)C[C@@H]3C2)nc(O)c1F 1888921941 GKNZXGOKRUPGJG-CHWSQXEVSA-N 427.436 1.386 0 40 IDAB CCc1ccc(OC[C@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 824786 SLMSZMQIKMGPNI-MRXNPFEDSA-N 427.505 1.416 0 40 IDAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCC(=O)NCC(=O)O)ccc23)cc1 2158774 CYPSYYHNXKRVHU-UHFFFAOYSA-N 440.408 1.164 0 40 IDAB biogenic COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H](CO)[C@@H]2C(=O)O)OCO4)cc(OC)c1OC 4782900 XRBSKUSTLXISAB-YFMMTPMMSA-N 432.425 1.929 0 40 IDAB biogenic,world O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCCC1)OCCO3 6445244 ADMGOFUADQNYAL-FOIQADDNSA-N 438.488 1.650 0 40 IDAB O=c1nc[nH]c(O)c1[C@@H](c1cccc(I)c1)c1c(O)nc[nH]c1=O 8694670 BVVRQIQJCNZICL-UHFFFAOYSA-N 438.181 1.049 0 40 IDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9349421 ANQNRQPJEBRKJQ-NNKNOWGASA-N 431.518 1.174 0 40 IDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CS2 9465593 FXYRPRXRAGJMJF-CRAIPNDOSA-N 427.523 1.113 0 40 IDAB O=S(=O)(c1ccccc1Br)N1CCN(c2nnnn2-c2ccccc2)CC1 9588388 PRCPRDJHBYZXCS-UHFFFAOYSA-N 449.334 1.936 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cnc4sccn4c3=O)CC2)cc1 11555507 BFCBYNCECVOHCG-UHFFFAOYSA-N 432.527 1.648 0 40 IDAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1O 11712683 ITHCCVVXCQXVNF-UHFFFAOYSA-N 434.470 1.517 0 40 IDAB CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(C(=O)OC)cc1 12856844 ILDHOERVCZVMAA-NVXWUHKLSA-N 436.486 1.564 0 40 IDAB COc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1S(=O)(=O)N1CCOCC1 12976760 KNWWBIVUYLXLOE-INIZCTEOSA-N 432.498 1.906 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)CC2=O)c1 13017536 HOIGZNGXDJSPTA-SFHVURJKSA-N 436.512 1.831 0 40 IDAB CCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cc1 14092925 CJUSWZQMXVEHOT-UHFFFAOYSA-N 429.520 1.157 0 40 IDAB Cn1c(=O)c2[nH]c(Sc3nnc(-c4cccnc4)n3-c3ccccc3)nc2n(C)c1=O 16363730 NHYHEWYVCCJKOY-UHFFFAOYSA-N 432.469 1.754 0 40 IDAB O=C(c1cccnc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@H]3CCCO3)[nH]c2=O)C1 19337763 KWNIJNJXZWSJCI-RBUKOAKNSA-N 437.500 1.596 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1 19572709 NMESQNZWBRLZEC-CYBMUJFWSA-N 438.500 1.745 0 40 IDAB Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 19610253 YTRYKUROLKVGNU-UHFFFAOYSA-N 435.380 1.770 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3ccn(CC)n3)CC1)C2=O 19700761 VPDXDJFRAZRFQZ-UHFFFAOYSA-N 430.553 1.552 0 40 IDAB COc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(C)ncc2C(=O)N2CCOCC2)c1 19766740 WLPGBMFTYVSCKF-IBGZPJMESA-N 446.529 1.792 0 40 IDAB COc1ccc(NC(=O)Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)c(OC)c1 19822824 FZONTBFLRGPKTM-UHFFFAOYSA-N 438.488 1.828 0 40 IDAB Cc1ccc(NC(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)cc1S(N)(=O)=O 21408693 QIWIVEJRDZCQJG-UHFFFAOYSA-N 447.542 1.501 0 40 IDAB O=C(CCNc1ncccn1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 32928284 HHWGNNLTJCHCHF-UHFFFAOYSA-N 439.907 1.827 0 40 IDAB CN(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2c(=O)[nH]1 35400169 FKEITBJXMHXUPD-INIZCTEOSA-N 432.546 1.313 0 40 IDAB Cc1ccc2nc(N(CCCN3CCOCC3)C(=O)CN(C)S(C)(=O)=O)sc2c1 36707167 URXORGPMBZRVJF-UHFFFAOYSA-N 440.591 1.551 0 40 IDAB Cc1oc(C(=O)N2CCC[C@@H](C(=O)NCC(C)C)C2)cc1S(=O)(=O)N1CCCC1 48253018 UFZWTPAKMLPCAI-MRXNPFEDSA-N 425.551 1.997 0 40 IDAB CCOC(=O)[C@H]1CCCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C1 57449193 ATYWSNFJMXXCSG-KRWDZBQOSA-N 442.516 1.118 0 40 IDAB CCOc1ccc([C@H]2NC(=O)NC(CN3CCC4(CC3)OCCO4)=C2C(=O)OC)cc1 67287155 QQLSSJZXHYDBJV-LJQANCHMSA-N 431.489 1.705 0 40 IDAB CCn1nc(CCC(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)c2ccccc2c1=O 72395227 KZHDXSLDVCLYJH-OAHLLOKOSA-N 436.516 1.514 0 40 IDAB O=C(NCCCN1CCOCC1)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 85420796 ZBDPUCXJZDSDJN-NXWNEQKCSA-N 431.920 1.465 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)n(C)c1=O 100166736 NNKKIUNRMVPNEQ-IRXDYDNUSA-N 425.464 1.510 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2NCCCO)cc1OC 217489906 RIUWCLXJBYCGAU-UHFFFAOYSA-N 438.502 1.717 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 225194432 QWCDZGHDQWWHAV-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ncn[nH]2)cc1Cl 226061601 NACNVQSCPLCIFQ-UHFFFAOYSA-N 433.943 1.386 0 40 IDAB CC(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@H]3CCCO3)nc(O)c2C1 249687261 HJGZRHSXOCLJMA-DLBZAZTESA-N 438.550 1.511 0 40 IDAB Cc1cc(C(F)F)n2nc(C(=O)N(C)C[C@]3(O)CCCN(c4cnccn4)C3)nc2n1 257328280 XEZHFLIZAZNGCX-LJQANCHMSA-N 432.435 1.264 0 40 IDAB Cn1cc(C(=O)N2CC[C@H]3O[C@@H](COCCN4CCOCC4)CC[C@H]32)c(C(F)F)n1 585108484 VDWZIEWQLXMYBB-DJIMGWMZSA-N 428.480 1.469 0 40 IDAB O=c1ccc(-n2cccn2)nn1CC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 585502495 UVLUVLMVARSJPP-UHFFFAOYSA-N 445.409 1.802 0 40 IDAB CCn1cc(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c(=O)c2ccc(C)nc21 669724632 XONLQHPBKHFNJJ-UHFFFAOYSA-N 434.500 1.944 0 40 IDAB Cn1cc(N2CCC(NC(=O)CCc3ccccc3Br)CC2)c(=O)n(C)c1=O 1889136170 ONOVEOHQIQVBAG-UHFFFAOYSA-N 449.349 1.564 0 40 IDAB COc1ccccc1S(=O)(=O)N[C@@H]1CO[C@@]2(CCCN(c3ncnc4[nH]cnc34)C2)C1 2056225717 ZNWARMZCLKVRNM-XOBRGWDASA-N 444.517 1.468 0 40 IDAB CO[C@H]1O[C@@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H](OC(=O)Nc2ccccc2)[C@@H]1O 5063456 WZZMKLDDQSFZBY-OYSTVDSJSA-N 432.429 1.946 0 40 IDAB CCOc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc(NC(C)=O)cc4)cnc32)cc1 9412856 JNHWYAGWXZJGLK-UHFFFAOYSA-N 447.455 1.973 0 40 IDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 9631025 VCNVWHKIPHPGAX-MFOYZWKCSA-N 441.531 1.164 0 40 IDAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)NC[C@@H]1COc2ccccc2O1 9833906 JLHCTKSDBMBRRE-QAPCUYQASA-N 434.452 1.587 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O 10031995 RFTXRACUOYPDLU-HSZRJFAPSA-N 438.484 1.507 0 40 IDAB O=C1N[C@@]2(CCCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2)Nc2ccccc21 12089280 NUJSCOKJMBMMFQ-OAQYLSRUSA-N 440.481 1.005 0 40 IDAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C[C@@H]3C(=O)NCCN3C)cc2n1 12230596 DVHRGPYCINQRHW-LSDHHAIUSA-N 438.454 1.794 0 40 IDAB O=C(c1ccco1)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 12938047 CXCAPBBHBCPOCM-LJQANCHMSA-N 445.541 1.806 0 40 IDAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCC(N)=O 13119151 YKYNTEVLWUBRTH-CXUHLZMHSA-N 438.440 1.399 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)Cn2c(=O)oc3ccccc32)c(=O)[nH]c1=O 14669888 GYXNRNALCNRLHB-UHFFFAOYSA-N 429.477 1.516 0 40 IDAB Cn1c(=O)c2c(ncn2CCCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O 15633689 WRZWTODBYWOZOE-UHFFFAOYSA-N 444.923 1.216 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 16033837 OJBPQRSSQGMMPR-GJBMREDPSA-N 437.471 1.744 0 40 IDAB CC1(C)NC(=O)N(CCC(=O)N2[C@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)C1=O 19460113 FSDVWXPQHJJPOX-NWMVZANLSA-N 439.516 1.641 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCCC[C@@H]3C)CC1)CNC2=O 19496287 HMSDJXAAJZACEV-HJPURHCSSA-N 429.517 1.970 0 40 IDAB CN(C(=O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2)[C@@H]1CCS(=O)(=O)C1 19585856 NKCUUUWVXCINET-QVKFZJNVSA-N 434.514 1.049 0 40 IDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 20032292 SCTFWYMBUPMZHD-KRWDZBQOSA-N 443.591 1.149 0 40 IDAB COc1ccc(CCNC(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)cc1 23135209 HDSBVZCLPVHFRQ-UHFFFAOYSA-N 439.495 1.880 0 40 IDAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCC(=O)NCc1ccco1 29711628 KTZSBMSYQCJCFB-UHFFFAOYSA-N 448.273 1.851 0 40 IDAB CCn1c(SCC(=O)N2CCOCC2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 32579273 JHSHPEBZWMQLPN-OAHLLOKOSA-N 447.561 1.677 0 40 IDAB CC(C)(C)c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)NCc2ccccn2)cc1 36357260 WSAIMCHUIMAEFV-IBGZPJMESA-N 444.557 1.575 0 40 IDAB Cc1ncc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)s1 40149559 KHPLANQRJSWOKO-UHFFFAOYSA-N 426.539 1.556 0 40 IDAB C[C@@H]1CCCN(C(=O)CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)C1 72394437 SHEYHXCPKMWJHN-GOSISDBHSA-N 435.590 1.934 0 40 IDAB CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1=O 84597433 KLFSVEPCDFFRNW-INIZCTEOSA-N 444.875 1.905 0 40 IDAB CCOC(=O)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@@H]2[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]12 100326864 DWNHDAZTKYKHER-JZKQXPBHSA-N 442.468 1.431 0 40 IDAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@@H]32)cc1 101169824 DPSISPCLGVGVBZ-RTBURBONSA-N 439.428 1.644 0 40 IDAB CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1ccccc1)S(C)(=O)=O 223676940 JBBVKOWMTLOTFM-GFCCVEGCSA-N 444.560 1.987 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)CC2)Nc2ncccc21 247715275 MXHWJGWXGCXEAJ-GMWOSMDTSA-N 441.532 1.099 0 40 IDAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)CC2)c1 257244195 IKIBBRGSVKDLHD-BZSNNMDCSA-N 436.534 1.344 0 40 IDAB Cn1cc(-c2ccc(C(=O)N3CC[C@](O)(CN4CCN(c5ccccc5)CC4)C3)cn2)cn1 257278466 OCJXXWJAXYCFLI-VWLOTQADSA-N 446.555 1.881 0 40 IDAB Cc1ccccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O 409112453 DHALKBBGKAAXIA-UHFFFAOYSA-N 425.532 1.796 0 40 IDAB CC(=O)NC1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCn4cccn4)cc3)C2)CC1 585269999 AIFUZQQJURRMDF-DEOSSOPVSA-N 441.576 1.499 0 40 IDAB COc1ccnc(N2C[C@@H]3CN(S(=O)(=O)c4ccc(NC(C)=O)cc4C)C[C@H]3C2)n1 1888897896 GHGAXBZUCGAFMN-HZPDHXFCSA-N 431.518 1.509 0 40 IDAB Cn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)Cc5cccc(Cl)c5)C[C@H]4C3)ncnc21 1888930400 FZAUFQSCQMJVRQ-HUUCEWRRSA-N 432.937 1.915 0 40 IDAB Cc1cnc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)nc1 2056226411 QLROHZIDZBNYFS-UGSOOPFHSA-N 438.410 1.275 0 40 IDAB Cn1nc(-c2cccnc2)nc1[C@H]1CC[C@@H](O)[C@H](NS(=O)(=O)c2ccc(F)cc2)C1 2332241566 HMHGJVMMJQMCDB-MORSLUCNSA-N 431.493 1.992 0 40 IDAB CC(C)Cc1nc(SCC(=O)NCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 9517418 FYTINGOJZUKFNK-UHFFFAOYSA-N 427.530 1.634 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)n(C)c1=O 9968933 ZHYGNUXFVSVEGE-MRXNPFEDSA-N 427.461 1.540 0 40 IDAB Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cn1 13000709 DYUSRQGCEFKCGJ-VOTSOKGWSA-N 428.436 1.985 0 40 IDAB CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccoc1 13006484 OEVMZQVQJLZGSO-UHFFFAOYSA-N 441.893 1.665 0 40 IDAB CSCC[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 15973367 RHYOENXZKCWYKI-HRBDYDPXSA-N 449.960 1.993 0 40 IDAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C)c3cc(=O)[nH]c(N4CCCC4)n3)ccc21 19458346 GQWKFHWFPBTAID-AWEZNQCLSA-N 445.545 1.709 0 40 IDAB CC1CCN(CC(=O)Nc2ccccc2C2=NNC(=O)[C@H]3[C@@H](C(=O)NC(C)C)[C@@]23C)CC1 19496887 HLXPRPKOAVYMAH-DCLXLUIPSA-N 439.560 1.968 0 40 IDAB CC1CCN(S(=O)(=O)N2CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)CC1 19496939 AHGRGDYZHGKXMB-IBGZPJMESA-N 439.578 1.476 0 40 IDAB Cc1nc(CC(=O)N2CCC[C@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)cs1 19764019 SACZNHUTDMPSGM-INIZCTEOSA-N 429.546 1.971 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccc(OC)cc1 20636933 AHZGAOYLXUFXBJ-IAGOWNOFSA-N 432.477 1.176 0 40 IDAB Cc1cc(C)cc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 22229454 SXJLYFUMSMMMPW-UHFFFAOYSA-N 445.541 1.622 0 40 IDAB CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 22829850 SAMSDCZSLBIYNW-GFCCVEGCSA-N 439.515 1.569 0 40 IDAB COCCNC(=O)CN1CCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 22912081 IHJNXGZPUIDICP-UHFFFAOYSA-N 431.364 1.332 0 40 IDAB O=C(CSc1nnnn1-c1ccc(O)cc1)NCc1ccc(CN2CCOCC2)cc1 23881823 RQMDASBSUXUEIF-UHFFFAOYSA-N 440.529 1.609 0 40 IDAB CS(=O)(=O)N1CC[C@@H](C(=O)NCCCN2CCOCC2)Oc2ccc(Cl)cc21 30944598 GJEMPNDETSZSKY-KRWDZBQOSA-N 431.942 1.096 0 40 IDAB CS(=O)(=O)NCCCNc1cnn(CCOc2ccc(Cl)cc2)c(=O)c1Cl 32829637 CXHJQHVRGDOOJW-UHFFFAOYSA-N 435.333 1.980 0 40 IDAB COCCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)ccc1OC 32889270 BQVIKIGEHUGAAM-CYBMUJFWSA-N 436.486 1.840 0 40 IDAB Cc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325731 RHDPZAQOUGCGNZ-GOSISDBHSA-N 444.557 1.864 0 40 IDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 35392781 HSQHBKMCDYTJJU-PMACEKPBSA-N 433.574 1.247 0 40 IDAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)CN2CCCC2=O)CC1 72335851 SCUVGJFTRACRAR-UHFFFAOYSA-N 443.529 1.271 0 40 IDAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)cc1 79110986 RXBHDJMHGCIXHW-QGZVFWFLSA-N 430.530 1.757 0 40 IDAB O=S(=O)(NCCNc1nnnn1-c1ccccc1)c1ccc(Br)s1 84572657 HKPMSNCDZJQOIN-UHFFFAOYSA-N 429.325 1.877 0 40 IDAB COCCN1CC2(CCN(Cc3cnn(C)c3)CC2)COc2ccccc2S1(=O)=O 96037174 OIJMHIWONQWFLR-UHFFFAOYSA-N 434.562 1.732 0 40 IDAB CCN1CC[C@]2(CN(C(C)=O)CC23CCN(S(=O)(=O)c2ccc(C)cc2)CC3)C1=O 96144423 ZOKLNQTUADYXNR-QFIPXVFZSA-N 433.574 1.867 0 40 IDAB Cc1nn(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)c(=O)c2ccccc12 102580389 IAPDODUTFUDELB-UHFFFAOYSA-N 442.479 1.684 0 40 IDAB CN(C)C(=S)/N=c1\ss/c(=N/C(=S)N(C)C)n1-c1ccc2c(c1)OCO2 104276809 XUGJFKHVMVEQAN-QUDUTFMFSA-N 427.602 1.823 0 40 IDAB CN(C)c1cc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cnn1 206724715 NMDHWQJOAMFDIQ-UHFFFAOYSA-N 431.440 1.952 0 40 IDAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 222744824 XZBFTKOIPBWSLS-UHFFFAOYSA-N 444.491 1.737 0 40 IDAB CNC(=O)COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1Cl 226686140 LWPACFIENWFTOV-UHFFFAOYSA-N 431.942 1.390 0 40 IDAB CN1CCN([C@H]2CC[C@](CNC(=O)c3cnn(C)c3)(c3ccccc3)CC[C@@H]2O)CC1 257204651 AVTBIYCMKOWVMD-FIXSFTCYSA-N 425.577 1.639 0 40 IDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(c2ccccc2)CC1 618680739 REBQXHCUONMZKO-UHFFFAOYSA-N 432.546 1.445 0 40 IDAB CC(=O)N1CCCN(C)CCN(C(=O)Cn2c(C)cc(C)nc2=O)Cc2ccccc21 643557645 SDXFLFBOOSKWTA-UHFFFAOYSA-N 425.533 1.577 0 40 IDAB CC(=O)N1CCN(Cc2cnc[nH]2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)C1 643913348 RVXYTKWLVLVDGG-YPAWHYETSA-N 440.585 1.024 0 40 IDAB O=C(COc1ccc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1)N1CCOCC1 1615068870 WPQSMSCOURBFSE-FGZHOGPDSA-N 430.476 1.687 0 40 IDAB Cc1ccsc1S(=O)(=O)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 2055795965 AQCXVLLIRBLCER-LJQANCHMSA-N 436.559 1.546 0 40 IDAB CCN(C(=O)CSc1nnnn1-c1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 4195138 BLZUAMZJQRRWHB-CYBMUJFWSA-N 425.536 1.107 0 40 IDAB COc1ccc(CCNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 9063820 SIDKFYXUJZEBQP-UHFFFAOYSA-N 434.514 1.697 0 40 IDAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 9355063 OBWLSZXYCQGPTR-KHVWPYCOSA-N 449.488 1.922 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccccc2F)cc1 9576408 ZASADZFVPDMQOB-IBGZPJMESA-N 449.504 1.304 0 40 IDAB COCCn1c(C)c(C)n2c3c(=O)n(CC(=O)c4ccc(F)cc4)c(=O)n(C)c3nc12 9713196 AOKNAXWCIWHWLU-UHFFFAOYSA-N 427.436 1.435 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCCc2ccc(F)cc2)cc1 9806192 MEBYOGOWHVOUOE-LJQANCHMSA-N 447.532 1.762 0 40 IDAB O=C(NCc1ccccc1F)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 9807084 BIURROLSXXTIHT-CQSZACIVSA-N 425.507 1.473 0 40 IDAB COC(=O)c1c(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)sc2c1CCC2 9961729 HSEPOSJALWNNFE-UHFFFAOYSA-N 429.458 1.873 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2cc(C)ccc2OC)n(C)c1=O 10102371 IDBNIVRBXUDHSX-UHFFFAOYSA-N 427.461 1.319 0 40 IDAB CCOC(=O)CN1C(=O)[C@]2(N[C@@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccccc21 12413342 RXSJDMJKDUSMSN-VMRKBNOCSA-N 447.491 1.585 0 40 IDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCNS(=O)(=O)c2ccccc2)c1 12932978 AHPYGQWCJJVMCA-UHFFFAOYSA-N 445.950 1.299 0 40 IDAB O=C([C@H]1CN(C(=O)c2cnc3n(c2=O)CCS3)c2ccccc2O1)N1CCCCC1 12990961 LWMTZHWJGWVPLM-QGZVFWFLSA-N 426.498 1.769 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OC 15391580 XNODWNVSSDZWOO-ZDUSSCGKSA-N 434.470 1.559 0 40 IDAB O=C(CN1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1)Nc1ccc2c(c1)OCCO2 19346190 ABKFLSFTMBBBHY-UHFFFAOYSA-N 425.489 1.528 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 20866682 FEXCGJQGNNLURQ-UHFFFAOYSA-N 445.497 1.594 0 40 IDAB O=C(c1cc(=O)c2ccccc2o1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134468 KJIDGJVUALZAAK-UHFFFAOYSA-N 434.431 1.866 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 23508646 KWFREQSBZOEWKC-NRFANRHFSA-N 449.548 1.944 0 40 IDAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(OCC(N)=O)c1 30988657 OAXBGWSAEYTUJR-KRWDZBQOSA-N 444.513 1.787 0 40 IDAB O=S1(=O)CC[C@@H](S(=O)(=O)c2cccc(S(=O)(=O)Nc3cccc(F)c3)c2)C1 31773035 LWFQGBZZIYKJSL-MRXNPFEDSA-N 433.504 1.587 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1)C(=O)OC 36589820 ZUWJYCHFZLPDJI-VQIMIIECSA-N 430.461 1.570 0 40 IDAB biogenic C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1nnc(N2CCOCC2)s1)c1ccc(F)cc1 58232056 OFQLEGKOAJSUOU-RYUDHWBXSA-N 428.511 1.553 0 40 IDAB CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 72344735 ZKGAFGQYXFMIRZ-MRXNPFEDSA-N 445.545 1.453 0 40 IDAB COc1ccc2cnn(CC(=O)N3CCN(CCc4ccncc4)CC3)c(=O)c2c1OC 79490943 XBSVRPPHAAWJEZ-UHFFFAOYSA-N 437.500 1.196 0 40 IDAB COC(=O)CCC(=O)N1CCc2nc(C(=O)NCc3cccc(OC)c3)sc2CC1 96146949 IIZVNLWYGGZTIW-UHFFFAOYSA-N 431.514 1.962 0 40 IDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 96900483 GHEORYNPUWJOCH-HOTGVXAUSA-N 441.469 1.167 0 40 IDAB COc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1 102903015 RQOYJZBOODBTCS-XDHOZWIPSA-N 437.477 1.676 0 40 IDAB O=C1CCSCCC(=O)O[Sn](c2ccccc2)(c2ccccc2)O1 195996068 UWXAVLGRMWQJGO-UHFFFAOYSA-L 449.116 1.856 0 40 IDAB O=C(NCCN1Cc2ccccc2OCC1=O)[C@H]1CC(=O)N(CCc2cccs2)C1 238832164 GEDBTHIRYVKSRL-KRWDZBQOSA-N 427.526 1.677 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3OC)C2)cc1 408654548 KCOBRRFSOHUSND-AWEZNQCLSA-N 441.440 1.379 0 40 IDAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1C[C@H]2CN(c3cc(O)nc(O)n3)C[C@@H]2C1 1888869386 FHQJXSIZKSXDLU-GHMZBOCLSA-N 440.428 1.093 0 40 IDAB Cc1cc2c(cc1S(=O)(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)O)NC(=O)CO2 8782691 RAMKHWNEZHGHEH-MRXNPFEDSA-N 429.454 1.781 0 40 IDAB biogenic,in-vitro CCOc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)cc1 8848902 SADREZMXXDKKPO-UHFFFAOYSA-N 425.420 1.733 0 40 IDAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NN1C(=O)NC2(CCCCC2)C1=O 8940855 UBGNERBDAYMGDY-INIZCTEOSA-N 428.489 1.881 0 40 IDAB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)NCCN1C(=O)CSC1=O 9283579 TVCSWCGVZPPNJK-UHFFFAOYSA-N 444.391 1.410 0 40 IDAB CN(CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)Cc1cccc(F)c1 9507245 FUWWVDVBAJBBAC-UHFFFAOYSA-N 425.464 1.401 0 40 IDAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cnc21 11673422 VPKYPZSRQRYOBS-UHFFFAOYSA-N 425.474 1.215 0 40 IDAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1 11858101 UXXHUKNBUAOHGB-UHFFFAOYSA-N 437.499 1.821 0 40 IDAB Cc1c(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 13628424 SMQCJKQDZFQTHC-IAGOWNOFSA-N 445.493 1.543 0 40 IDAB CCN(C(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 15279542 RNNPXLFPHHDHQM-GFCCVEGCSA-N 447.435 1.634 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 16522007 UWFNUIIWEDZDOA-INIZCTEOSA-N 435.521 1.846 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CCOc3ccccc3)cc2)CC1 18072961 FZRXQSQJQRWYIO-UHFFFAOYSA-N 445.541 1.690 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccsc3)[nH]c(=O)c2C1 19572602 ACNBCOTYCCBQET-MRXNPFEDSA-N 436.559 1.445 0 40 IDAB NC(=O)c1cnc(NC2CC2)nc1CCNC(=O)C1(c2cccc(F)c2)CCOCC1 19697796 IENQVQZAJQXPER-UHFFFAOYSA-N 427.480 1.696 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O 19699612 GCCJSYCWHAYAIW-GOSISDBHSA-N 426.517 1.543 0 40 IDAB C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)C[C@H](C)O1 20029384 GIFXKCJCWIXRPQ-KBPBESRZSA-N 431.924 1.745 0 40 IDAB COC(=O)c1ccccc1NS(=O)(=O)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 21010396 OPUPWUPZPFXOCS-CYBMUJFWSA-N 427.504 1.447 0 40 IDAB Cc1ccc(C(=O)NCCNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1F 22976322 LLGSXLHDABVGFO-UHFFFAOYSA-N 443.447 1.627 0 40 IDAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCCN(CC(=O)N(C)C)CC1 24678216 AZIMOXGQKVMVFB-GOSISDBHSA-N 431.581 1.130 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nn2cnc3ccccc32)CC1 28818945 UDWTZDDSOKBVQK-UHFFFAOYSA-N 442.497 1.994 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC[C@H]3CCCO3)CC2)cc1C 32945028 KZIRGDSEBKPACX-GOSISDBHSA-N 438.546 1.543 0 40 IDAB CC(=O)N[C@H]1[C@H](OCC(=O)O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1Oc1ccccc1 35057611 DVENRNKFWMZEEL-SICDYIMMSA-N 443.452 1.879 0 40 IDAB COCCNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 40286955 ZKLDTXOYVZWTGM-LEWJYISDSA-N 425.485 1.485 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@H]1CN(Cc2ccccc2)CCO1 58055703 JIODJSMTHTYTTH-SFTDATJTSA-N 432.590 1.850 0 40 IDAB COCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c(N2CCOCC2)n1 67219843 IDFWZBCKJHPNLQ-UHFFFAOYSA-N 437.294 1.628 0 40 IDAB CC[C@H](C)N1CCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)CC1 72326694 NOAFMJJIPHLCKV-XFAGBWLFSA-N 442.560 1.849 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)cc21 96025710 PLNXRWRWXATNTL-UHFFFAOYSA-N 434.493 1.371 0 40 IDAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NCCc3ccncc3)C2=O)cc1OC 96125588 QBEWCVBNXBWHGA-SFHVURJKSA-N 440.500 1.701 0 40 IDAB CCOC(=O)CN1C(=O)[C@]2(N[C@@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21 100166530 RXSJDMJKDUSMSN-NKARXJIESA-N 447.491 1.585 0 40 IDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 102820537 HNDSQXBNXQYHSD-GASCZTMLSA-N 425.407 1.727 0 40 IDAB COc1cccc(-c2cc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)n(C)n2)c1 238871001 MWYJAXOMHZMLMY-UHFFFAOYSA-N 444.517 1.356 0 40 IDAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@@H]4[C@@H]5C(=O)N(C)C[C@@]56C=C[C@H]4O6)C3)cc2n1 248098760 ZJPCJEXVHIGRJL-FLSHZBRESA-N 437.500 1.115 0 40 IDAB CCn1nc(C(=O)N2CCC3(CC2)C[C@H](NC(C)=O)[C@@](C)(O)CO3)c2ccccc2c1=O 257231327 GGEWQCZLEICZIR-AVRDEDQJSA-N 442.516 1.067 0 40 IDAB O=C1CCCC[C@H]2[C@@H](C[C@@H](Cc3ccccc3)N2C(=O)CCN2C(=O)COCC2=O)N1 257240737 HUYAPZJJPXCRNY-QRVBRYPASA-N 427.501 1.033 0 40 IDAB COc1ccc(CCC(=O)O)cc1CN1CC[C@@](C)(O)[C@H](n2cnc3c(N)ncnc32)C1 257296848 REPJRHDWENZXFI-VGOFRKELSA-N 440.504 1.632 0 40 IDAB NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccccc2OCCN2CCCC2=O)C1 257314188 UVRMIRHMNMUSES-DEOSSOPVSA-N 436.512 1.742 0 40 IDAB CNC(=O)Cn1nc(NC(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C 504617900 ANJDIXABHHGYIW-AWEZNQCLSA-N 428.493 1.478 0 40 IDAB O=C(CN1CCC(c2c[nH]c3ncccc23)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 533518962 DJHADCSHFRNNFG-SFHVURJKSA-N 445.589 1.074 0 40 IDAB COc1ccc(Br)cc1S(=O)(=O)Nc1nnn(Cc2noc(C)n2)c1C 551403517 PYSVBJLSDBRPGW-UHFFFAOYSA-N 443.283 1.898 0 40 IDAB CC[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)[C@H](CO)[C@@H]1CN1CCS(=O)(=O)CC1 1772594988 NCUAGNVVPDVROH-ZTFGCOKTSA-N 429.970 1.921 0 40 IDAB COc1cc(=O)n(C)cc1C(=O)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974821 RSANWKJHGYYNGT-UHFFFAOYSA-N 426.860 1.968 0 40 IDAB COc1cc(=O)n(C)cc1C(=O)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775995029 PJLPPUPVSVFFNC-GFCCVEGCSA-N 437.294 1.878 0 40 IDAB O=C(O)CC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 2338681 ITLLBGBJIXZGKY-NZQNYPKQSA-N 437.427 1.611 0 40 IDAB CCn1nc(C)c(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c1C 2732958 LKXSOMWKMWZSPZ-KRWDZBQOSA-N 436.582 1.621 0 40 IDAB O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CN1Cc1ccco1 3333863 BQDPBZLHKOEKSS-MOXPCZPISA-N 443.525 1.773 0 40 IDAB O=C1[C@H]2C3C=CC([C@@H]2C(=O)N1c1cccc(O)c1)[C@H]1C(=O)N(c2cccc(O)c2)C(=O)[C@H]31 8397311 CEYMZESSFHGLPA-ABPJMCOGSA-N 430.416 1.825 0 40 IDAB O=C(CN1CCCC1=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 8710348 WFXBYZWSRPNHLM-UHFFFAOYSA-N 431.470 1.820 0 40 IDAB C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9220501 RHBZYZWVXROEGY-LLVKDONJSA-N 439.390 1.808 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 12620634 IWEIDESOBOPOAD-IYBDPMFKSA-N 425.551 1.918 0 40 IDAB COc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2snc(C(N)=O)c2N)c1 12709625 QKOUNKYTOUQUHF-UHFFFAOYSA-N 431.518 1.929 0 40 IDAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)[C@@H](C)O)CC1 12865799 NXADUFFZUKDORH-XRGAULLZSA-N 443.541 1.115 0 40 IDAB biogenic CCOC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 12999950 XPSWTHZGANJHKN-UHFFFAOYSA-N 446.287 1.567 0 40 IDAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(-n2cnnn2)c1 14139553 UFQKORZZEFLUEC-UHFFFAOYSA-N 432.437 1.075 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cn[nH]c(=O)c3Br)CC2)c1 14187747 LQHGIFQRVCSXQJ-UHFFFAOYSA-N 427.324 1.660 0 40 IDAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 15518341 KSQKTCUQPSUZOU-HXUWFJFHSA-N 447.557 1.847 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC(=O)Nc2cccc(C)c2C)c1 15533587 LJLZWVYCDJPBEU-UHFFFAOYSA-N 448.545 1.251 0 40 IDAB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2c1OCCO2 17185144 ZMVGYCUJYYMTDF-NSHDSACASA-N 436.442 1.298 0 40 IDAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)C1=O 19797423 BRUGBJRQHNPKJO-UHFFFAOYSA-N 428.514 1.747 0 40 IDAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1 21277427 DZNMCMRAGMSCBE-UHFFFAOYSA-N 447.513 1.533 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccno4)o3)cc2)C[C@H](C)O1 22710810 NBIVDPRODICLDD-RYUDHWBXSA-N 433.446 1.775 0 40 IDAB COc1cccc([C@]2(C)NC(=O)N(NC(=O)COc3ccc4ccc(=O)oc4c3)C2=O)c1 23845131 MBKDVUQFXVVLPL-QFIPXVFZSA-N 437.408 1.679 0 40 IDAB CCN1CCN(C(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 26113309 ISFJJCXECQQGGP-OAQYLSRUSA-N 429.542 1.948 0 40 IDAB O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)C1 31772938 IFQZDOUSUCXBIZ-INIZCTEOSA-N 433.504 1.587 0 40 IDAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1cc(=O)n2ccsc2n1 32745243 SCVYLFJJEBKSGR-MRXNPFEDSA-N 433.511 1.576 0 40 IDAB C[C@H](NC(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(S(N)(=O)=O)cc1 32863016 ZZAWJUNQUXHBSS-HNNXBMFYSA-N 430.530 1.999 0 40 IDAB Cc1ccc(NC(=O)CN2CCN(C(=O)CSc3nnnn3C3CCCC3)CC2)cc1 35336398 GPCRUGUXLNXLEC-UHFFFAOYSA-N 443.577 1.972 0 40 IDAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)C1 40388852 IQTNHDJWZGEDLH-JSGCOSHPSA-N 439.472 1.842 0 40 IDAB O=C(Cc1ccccn1)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 58010292 CSGJAWJLPQFLBS-UHFFFAOYSA-N 431.514 1.709 0 40 IDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1OC 67287396 MBEAJPYSVSOVOW-LJQANCHMSA-N 435.477 1.216 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1 72395558 BDLNDKSVSVEBPM-NQIIRXRSSA-N 427.482 1.651 0 40 IDAB COC(=O)[C@@]1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCCN(Cc2ccccc2)C1 79071278 OBQJHJUYFFUBPO-HSZRJFAPSA-N 434.500 1.529 0 40 IDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C)CC1 95464878 IPEIHWBCFPQXOF-HKUYNNGSSA-N 430.549 1.437 0 40 IDAB C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN([C@H](C)C(=O)NC2CC2)CC1 97527154 PSJFWERFRDMJIM-SBOQHKNFSA-N 445.608 1.454 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)s1 224383185 WAGNXWPDIYENSA-UHFFFAOYSA-N 446.532 1.217 0 40 IDAB NC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCCN3CCOCC3)c2)C1 257337892 YUXVREZGPBREGL-XMMPIXPASA-N 438.528 1.452 0 40 IDAB CC(CC(=O)N1CCN[C@@H](c2cccnc2)C1)CC(=O)N1CCN[C@@H](c2cccnc2)C1 505563857 BQBYLXFPOWYKRI-FGZHOGPDSA-N 436.560 1.539 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)CC1 585286007 GNMNQLQHWMNHTL-REWPJTCUSA-N 436.549 1.463 0 40 IDAB O=C(O)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 614750315 HFCCUJDTTPCKFZ-UHFFFAOYSA-N 431.470 1.967 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(c5ccc(C(F)(F)F)nn5)C[C@H]4C3)ncnc21 1888913553 FSWNLWQOIWGBGE-BETUJISGSA-N 434.426 1.854 0 40 IDAB O=C(CCC(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 3317741 VXPDDTWZDNEHRK-UHFFFAOYSA-N 427.526 1.889 0 40 IDAB Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccco4)cc3n(CC(N)=O)c2=O)cc1 4176278 ZXDWVTLFRNPYLX-UHFFFAOYSA-N 432.436 1.469 0 40 IDAB O=C([C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1)N1CCN(c2ccccn2)CC1 9420964 MWBYGXZRXRHRRM-AWEZNQCLSA-N 426.912 1.967 0 40 IDAB COc1ccccc1CC(=O)N1CCC(c2c(S(C)(=O)=O)cnc3ncnn23)CC1 12129550 DENFZIWKDWEWTC-UHFFFAOYSA-N 429.502 1.485 0 40 IDAB COc1cccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)c1 12310177 HPLKFJUBMOJTBR-UHFFFAOYSA-N 445.483 1.947 0 40 IDAB COC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 12497897 IZMMNXRTNWXGMV-QPXQOZNCSA-N 440.427 1.979 0 40 IDAB Cc1nccc(-c2sc(C3CCN(C(=O)CC[C@H]4NC(=O)NC4=O)CC3)nc2C)n1 12668039 LYSSVNCPDAEEHI-OAHLLOKOSA-N 428.518 1.911 0 40 IDAB COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 12979601 ZHHFIWUEFPWHPB-UHFFFAOYSA-N 438.440 1.496 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 13031582 HFVRTQFDLIIVIT-UHFFFAOYSA-N 446.529 1.129 0 40 IDAB CCCCN(C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 13074322 HGEWSHZCWFCOKO-UWJYYQICSA-N 435.546 1.660 0 40 IDAB CCn1c(SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)nnc1-c1ccccc1 14111553 GTVVZPYIIMSIAZ-UHFFFAOYSA-N 428.562 1.480 0 40 IDAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 14237197 MQWUPTAKMWZBQY-MRXNPFEDSA-N 438.527 1.091 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 14906956 QRLBDCNNRKGSOU-CQSZACIVSA-N 445.497 1.700 0 40 IDAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCN1CCOCC1 16428892 JBAQMEUIOJSPSD-UHFFFAOYSA-N 425.551 1.125 0 40 IDAB CN(C)c1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@H]2CCCCN2)n1 19709868 QJBFYVFOLQQHIE-QGZVFWFLSA-N 447.561 1.949 0 40 IDAB Cn1cccc1[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)N1CCc2ccccc2C1 21151968 OTHLUSVBCPMXAO-QFIPXVFZSA-N 444.601 1.912 0 40 IDAB COCCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)N2CCN(CCO)CC2)c1=O 22697575 NYRLMFFNDYUZCH-QFIPXVFZSA-N 431.533 1.217 0 40 IDAB COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 23107189 KPPIMMZSMRVEBY-IBGZPJMESA-N 431.464 1.971 0 40 IDAB CN(c1ccc(OCC(=O)NCCN2CCOCC2)cc1)S(=O)(=O)c1cccs1 27772865 CJJYUFXWMRIABM-UHFFFAOYSA-N 439.559 1.400 0 40 IDAB O=S1(=O)CC[C@@H](S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C1 31772931 CJHZKEMMDYGYCW-CQSZACIVSA-N 433.504 1.587 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CN(C)c2ncccn2)cc1 40072740 BPJZCVUIYFUECO-CQSZACIVSA-N 435.506 1.170 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)CCCn2cnc(-c3ccc(F)cc3)cc2=O)cc1 49427695 ZOZPHCGYILSAGS-UHFFFAOYSA-N 444.488 1.793 0 40 IDAB O=S1(=O)C[C@H](NCc2ccc3c(c2)OCO3)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 55408405 AGNQXJZCAOCAMQ-YJBOKZPZSA-N 443.930 1.798 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(NC(=O)C3(c4ccccc4)CCOCC3)c2)CCN1 59252942 SYNKGFMICODZDR-UHFFFAOYSA-N 443.525 1.494 0 40 IDAB Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCC(=O)NCC(F)(F)F)c(C)c1C 69949152 AKRYYINVPRRNNC-UHFFFAOYSA-N 437.484 1.692 0 40 IDAB Nc1nc(N2CCN(CC(=O)N3CCCCC3)CC2)ncc1S(=O)(=O)c1ccccc1 71771884 FFYUQYANSRNGOO-UHFFFAOYSA-N 444.561 1.026 0 40 IDAB CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 72295272 VYKPFPFLICDJCZ-FQEVSTJZSA-N 444.509 1.356 0 40 IDAB Cn1ccnc1CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCOCC3)cc2)[C@H]1CO 72321516 FPVDAZUZEMJUCO-WIYYLYMNSA-N 428.489 1.246 0 40 IDAB biogenic,in-vitro CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccnc4ccncc34)c2)CC1 79023059 CLHQMKPKXJPSKR-UHFFFAOYSA-N 439.497 1.735 0 40 IDAB Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCn2c(nnc2C(F)(F)F)C1 95479079 QFZACRGZLMEYKQ-UHFFFAOYSA-N 426.443 1.703 0 40 IDAB COCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)c2nc3ccccc3s2)CN(C)C(=O)C1 96113289 IQWUWPGPIAUZHK-HUUCEWRRSA-N 432.546 1.806 0 40 IDAB biogenic,in-vitro CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)cc1 101487039 XQJAPABJEAZQFV-SCLBCKFNSA-N 428.532 1.649 0 40 IDAB COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1S(=O)(=O)N(C)C 103413020 GGAVSKMLBBVNMF-AEGPPILISA-N 435.502 1.224 0 40 IDAB COc1cc(/C=C\c2ccc(OC)c(OC)c2)cc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1 104276678 KHKHFCBOAIPKGG-GRKUWLBCSA-N 448.468 1.062 0 40 IDAB O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCN1CCOCC1 219142558 COILYLJYSDIQOJ-UHFFFAOYSA-N 427.523 1.531 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4cccs4)C3)C2=O)cc1 225384034 JWPNCODVDLDBPI-APWZRJJASA-N 427.526 1.315 0 40 IDAB biogenic,in-vitro COc1cc(/C=c2\sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(F)cc1 256055401 FPSXBUGYLSNGDT-MFOYZWKCSA-N 426.429 1.864 0 40 IDAB C[C@@]1(O)CCN(C(=O)CCc2nc3ccc(Cl)cc3[nH]2)C[C@H]1n1ccc(O)nc1=O 257328108 XEEJPLNPAVYBQG-FOIQADDNSA-N 431.880 1.636 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)cc1 390829586 FHCGVQYXZISZLT-UHFFFAOYSA-N 447.542 1.581 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccccc2)cc1 409007658 YTFNJZPSSFUGJO-UHFFFAOYSA-N 445.541 1.610 0 40 IDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 511936819 BFFJWGTUOUIFKX-AWEZNQCLSA-N 426.496 1.642 0 40 IDAB COc1ccccc1C1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCCCC1 559878132 WPYFPWZLNJTXCX-LJQANCHMSA-N 429.561 1.946 0 40 IDAB NC(=O)c1cc2cc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)ccc2[nH]1 1642343564 XYMSNMCSUSTKKG-UHFFFAOYSA-N 426.498 1.750 0 40 IDAB O=C(COC(=O)CNC(=O)c1cccc(OC(F)F)c1)NCc1ccc2c(c1)OCO2 3244074 LYKBPDLSPYTWSY-UHFFFAOYSA-N 436.367 1.606 0 40 IDAB O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3440070 HNBHFGMDAVALQJ-UHFFFAOYSA-N 428.470 1.481 0 40 IDAB COCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O 8708904 HTICCLPDELPPLE-CYBMUJFWSA-N 429.477 1.348 0 40 IDAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)C1=COCCO1 9224239 FOXFUNZAOZQIJB-UHFFFAOYSA-N 436.461 1.691 0 40 IDAB CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1ccc(F)cc1 9499680 UEVKVHUQSAFOFX-SFHVURJKSA-N 442.534 1.266 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCC(C)C)cc1C 9577416 SDHZGXACCBBJPA-GOSISDBHSA-N 441.550 1.019 0 40 IDAB O=C(CSc1nnnn1-c1ccc(O)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 9638950 ORQPOAXSKBDCCT-INIZCTEOSA-N 445.526 1.680 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cc1 9919454 OIFIMNSYEVGEKL-UHFFFAOYSA-N 427.486 1.701 0 40 IDAB Cc1cc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1C[C@@H]1CCCO1 9981448 PWEZAMXIPIWRQJ-INIZCTEOSA-N 431.489 1.874 0 40 IDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 10219929 DXJRPTXNYPKEJU-ZDUSSCGKSA-N 438.893 1.188 0 40 IDAB CC(=O)c1ccc(N2CCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 11007906 PKZXSQIOIPCOEU-UHFFFAOYSA-N 433.505 1.957 0 40 IDAB O=C(O)C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O 11635150 QHMULILFQFNFLV-ZETCQYMHSA-N 431.058 1.418 0 40 IDAB Cc1nnc2ccc(N3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)nn12 11696279 VCNXVQRUGCNLSD-UHFFFAOYSA-N 442.423 1.842 0 40 IDAB O=C(/C=C/c1cccs1)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OC[C@H]1CCCO1 12136991 FFXBJRVYLWZDFZ-FHTYSXSTSA-N 437.543 1.075 0 40 IDAB COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)cc1 12141879 KOCKREAKJAVHQM-HNNXBMFYSA-N 445.479 1.903 0 40 IDAB CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(C(=O)OC)cc1 12856862 ILDHOERVCZVMAA-RDJZCZTQSA-N 436.486 1.564 0 40 IDAB COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccccn1 13727212 RGRAYBSCGVEGHA-UHFFFAOYSA-N 439.515 1.271 0 40 IDAB CC(C)n1ncc2c(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc(C3CC3)nc21 14083499 NAABIXXLXSIBAW-INIZCTEOSA-N 431.562 1.835 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1COc2ccccc2C1 16961459 OSNCGVOPNZWXQY-MRXNPFEDSA-N 432.498 1.906 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 17126524 CVSJXQURCJDMHE-UHFFFAOYSA-N 434.499 1.537 0 40 IDAB O=C(CN1CCN(C[C@H]2CCCO2)CC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292017 CDPRIHLFTNNDMA-WOJBJXKFSA-N 443.592 1.082 0 40 IDAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccn(C)n4)CC3)n2)CC1 19497075 IZNANLRHFJUKCM-UHFFFAOYSA-N 446.577 1.870 0 40 IDAB O=C(Cn1cc(C(=O)N2CCC[C@H](CN3CCCC3)C2)ccc1=O)Nc1nccs1 19751022 UGXXKDLDXPMFGZ-MRXNPFEDSA-N 429.546 1.892 0 40 IDAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)NC[C@@H]2CCCO2)s1 20486132 RVELTOKXBAMYBM-KBPBESRZSA-N 426.520 1.792 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@H]2C[C@H](C)OC2=O)CC1 32736529 HJVPDWGWJKGTJQ-WFASDCNBSA-N 425.459 1.121 0 40 IDAB CNC(=O)COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)N3CCCC3)o2)n1 36359922 RXXRZAHJBZNQCN-UHFFFAOYSA-N 432.458 1.906 0 40 IDAB O=C(c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1)N1CCN(c2ccccn2)CC1 36708450 WUURZEVMNNJTCJ-INIZCTEOSA-N 441.513 1.860 0 40 IDAB COc1ccccc1-n1ccn(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c(=O)c1=O 67256447 GQKGWVAYVMNTTE-UHFFFAOYSA-N 441.440 1.672 0 40 IDAB C[C@H](C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)O)[C@H]21)[C@@H](C)O 67665320 ASZMMNUWSMFMJO-QXRLGZSISA-N 440.533 1.411 0 40 IDAB in-vitro CC[C@H](C)N1CCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 72326808 ZYTHJAXEJAPGST-XFAGBWLFSA-N 441.576 1.882 0 40 IDAB Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(Cc2cccc(Cl)c2)CC1 95477725 CZFGAMSLSAZZQS-UHFFFAOYSA-N 446.979 1.894 0 40 IDAB O=C(NCc1ccncc1)C1=NO[C@]2(CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 96225289 DDUUEQFGVZKENP-HXUWFJFHSA-N 432.477 1.837 0 40 IDAB COCCN1CC2(CCN(C(=O)c3cc(C)on3)CC2)COc2ccccc2S1(=O)=O 96263527 HQKHVTSVBGMTRV-UHFFFAOYSA-N 449.529 1.935 0 40 IDAB CN(C)CCN1[C@H]2CCN(C(=O)[C@H]3CCCO3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263972 QKNYXJCNXMFSEF-JENIJYKNSA-N 437.562 1.170 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224755523 HCJFLSFRKAUFQF-UHFFFAOYSA-N 447.557 1.464 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)CC1 225755771 NLXGIEOPQWPIQN-UHFFFAOYSA-N 437.591 1.895 0 40 IDAB CCCN1C(=O)N[C@@H](CC(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)C1=O 247979839 GWKZHOVYERIIQU-BZSNNMDCSA-N 439.516 1.641 0 40 IDAB CO[C@H]1CC[C@H](C(=O)NCCc2cc(N3CCN(C(C)=O)CC3)nc(C3CC3)n2)CC1 257275240 NOMMUZWQSLKXLW-KESTWPANSA-N 429.565 1.886 0 40 IDAB O=C(NCCCn1ccnc1)C1=NO[C@]2(CCCN(Cc3ncc(C(F)(F)F)[nH]3)C2)C1 585101080 BQWQOQXSVODNQO-GOSISDBHSA-N 439.442 1.942 0 40 IDAB CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 585273003 OIWLLQWVHPRUMR-DEOSSOPVSA-N 441.576 1.651 0 40 IDAB O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(c2ccccc2)CC1 623124960 HCPCGJDPUSOKRE-UHFFFAOYSA-N 431.543 1.709 0 40 IDAB O=C1C[C@H](C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2ccc(F)cc2N1 641892250 ICSDVKFUBJWGLI-INIZCTEOSA-N 425.416 1.965 0 40 IDAB COc1ccc(C(=O)NN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(N)=O)cc1 720820 ORBPCFPMMVNBFL-INIZCTEOSA-N 428.470 1.226 0 40 IDAB O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 4356233 XNCISNNKIDDJDG-UHFFFAOYSA-N 440.529 1.422 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)C2=O 8719116 PBMVBAKXPIPTPG-QVKFZJNVSA-N 448.545 1.910 0 40 IDAB COCCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCCOC)[C@H]1c1ccc(Cl)cc1 8753100 XDEMGJMCDOZVRB-OOSNJVJTSA-N 442.892 1.759 0 40 IDAB Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@@H]1CNC(=O)C(=O)NC1CCCC1 9577637 ZHALYJAKCURBIQ-QGZVFWFLSA-N 427.498 1.046 0 40 IDAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 12200927 LCGCGGDSJPUKLL-UHFFFAOYSA-N 447.488 1.999 0 40 IDAB Cc1ccc(CNC(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 12759326 BCNWCYDXXDGENL-UHFFFAOYSA-N 448.520 1.466 0 40 IDAB COc1cc(/C=C/C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1OCC(N)=O 12998704 HYFVJMWRZXXGTG-GJIAFCOMSA-N 447.513 1.440 0 40 IDAB COc1ccc([C@@H](CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)N2CCCC2)cc1 13120235 ONUBROGZVVGHBZ-LJQANCHMSA-N 430.530 1.446 0 40 IDAB CCn1nnc2c(N3CCN(C(=O)[C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)CC3)ncnc21 13533534 FATKUCQYZZQQOK-KRWDZBQOSA-N 448.531 1.560 0 40 IDAB COc1ccc2nc(N3CCN(C(=O)[C@@H]4CCCN(S(C)(=O)=O)C4)CC3)sc2c1 13790538 XLRTXVQTSVWEIG-CQSZACIVSA-N 438.575 1.625 0 40 IDAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 14075867 WPWSGJYPLPRODO-SNVBAGLBSA-N 446.558 1.608 0 40 IDAB CC[C@H](C)N(C(=O)CSc1nnnn1-c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 15227035 OQFIJYBEQYFDFG-UONOGXRCSA-N 439.563 1.577 0 40 IDAB COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc(C(=O)OC)c1 15243663 IHUBPNMDFKNJAN-UHFFFAOYSA-N 432.454 1.970 0 40 IDAB COc1ccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CC3)C4)C2)cc1 19554082 OSKKGWJZJKVQRM-KRWDZBQOSA-N 436.512 1.632 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](c3ccnc(-c4cccnc4)n3)C2)CC1 19572274 MJUWPELIFJVDHO-GOSISDBHSA-N 429.546 1.916 0 40 IDAB CN1C(=O)S[C@H](CC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1=O 19586823 HRSZRAGITANREK-OAHLLOKOSA-N 431.470 1.523 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(C)cs2)c(=O)[nH]c1=O 20897313 TZGCESHIFKQIOU-UHFFFAOYSA-N 427.552 1.456 0 40 IDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)C1 22790884 DGNFQPUWYDAUAC-BGYRXZFFSA-N 439.604 1.949 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1)NC1CC1 22932031 OIZKMYGZATVVCZ-KRWDZBQOSA-N 441.601 1.899 0 40 IDAB COc1ccc(OC)c(NC(=O)C(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)c1 23127863 UBMGFDDTXVHOMG-LJQANCHMSA-N 427.457 1.359 0 40 IDAB COc1ccc(CN2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)cc1OC 23740766 NGDSXJRSWRDAJJ-JOCHJYFZSA-N 430.505 1.069 0 40 IDAB CCOC(=O)N1CCC(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 24705041 VBPPQEKPLVHMNG-UHFFFAOYSA-N 437.562 1.971 0 40 IDAB NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](C1=Cc3ccccc3OC1)NS2(=O)=O 40156512 XNSXHERUQCRLFH-INIZCTEOSA-N 427.891 1.493 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(C)no3)CC2)cc1 48356385 YKLSHEKHYXGAFD-UHFFFAOYSA-N 435.502 1.877 0 40 IDAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCCCN1C(=O)NC2(CCCC2)C1=O 70009675 RTVJVNHMGREPBO-UHFFFAOYSA-N 429.473 1.792 0 40 IDAB COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)Nc1ccc(F)cc1F 72274985 WGCZLOAERVLJEI-UHFFFAOYSA-N 449.395 1.270 0 40 IDAB COc1ccccc1NC(=O)/C=c1/s/c(=C\c2cnn(-c3ccccc3)c2)c(=O)n1C 96891465 GWVNZUWZLMTZBT-DKNDRJFASA-N 432.505 1.889 0 40 IDAB CC(C)C[C@@H](C(=O)Cc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100971832 ZDSUGXMZPJTIJK-NHQOTNMQSA-N 430.526 1.667 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H]2[C@@H]3C=C[C@]4(CN(c5cccc(OC)c5)C(=O)[C@H]24)O3)CC1 101416181 CYBWPEYKLISFFX-KEXUJGGDSA-N 441.484 1.282 0 40 IDAB CC[C@H](C(=O)NCCCN1CCOCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222495869 VXGFEBIHEMFYBF-MRXNPFEDSA-N 447.985 1.732 0 40 IDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 223293023 VTHGEVPVSJZNTM-RMKNXTFCSA-N 432.454 1.820 0 40 IDAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4c[nH]c5ccccc45)C3)C2=O)o1 225440892 ZHHCLDIVKOQZKU-UTKZUKDTSA-N 434.496 1.628 0 40 IDAB biogenic,in-vitro COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238905476 RUXDXSALYQYEIA-ROUUACIJSA-N 433.464 1.622 0 40 IDAB Cc1ccccc1OCCNC(=O)[C@@H]1CN(C(=O)c2snnc2C(C)C)CCN1C 257228677 FUVCACCSKKVOJS-INIZCTEOSA-N 431.562 1.921 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3scnc3C)C2)cs1 306124880 CBGPOTYAAVWICK-IBGZPJMESA-N 430.559 1.531 0 40 IDAB Cc1nc(CN2CC[C@]3(CN(C(=O)c4ccnn4C)C[C@@H]3c3cn(C)cn3)C2=O)cs1 306138808 SHYBQIBLPFIMKM-IIBYNOLFSA-N 439.545 1.577 0 40 IDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OC 408591204 IZWMRGKKUVDOLG-BJMVGYQFSA-N 446.197 1.676 0 40 IDAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc(N3C(=O)c4nccnc4C3=O)cc2)C1 408974992 HFBRLWRBZCVLTD-INIZCTEOSA-N 435.484 1.998 0 40 IDAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)c3cnc(O)n(C)c3=O)c2C)c1 501158783 FSZBXARYKQPJFE-SFHVURJKSA-N 439.472 1.511 0 40 IDAB COc1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc(N2CCOCC2)n1 575603400 FWCCTPCBMFWYHX-MRXNPFEDSA-N 440.504 1.003 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2n[nH]c(=O)c3ccccc23)cc1 1427025 SQEHVYMHRASKGO-LJQANCHMSA-N 426.498 1.701 0 40 IDAB COC(=O)[C@@H](CCCC(=O)CN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 1707518 OQPNFJIUGQEEAI-LJQANCHMSA-N 448.431 1.860 0 40 IDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 3385107 QAUKAGRQLOJSDE-UHFFFAOYSA-N 426.502 1.949 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1OC 3503112 SIKXHPZTYFSRNR-OAQYLSRUSA-N 427.413 1.838 0 40 IDAB aggregator CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)NC2CCCC2)cc1 7255542 NMSIJMKFXSWEOR-CYBMUJFWSA-N 425.507 1.256 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)CC1 8662234 VCUHPXZXFNZXNE-UHFFFAOYSA-N 448.501 1.869 0 40 IDAB C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC1CCCCCC1 9050215 WQHKAAHATGKHJT-FZKQIMNGSA-N 446.953 1.750 0 40 IDAB CN1C(=O)NC(=O)[C@@]2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4[C@@H]32)C1=O 9267078 VTWJVPLTMXFFRO-HXOBKFHXSA-N 429.436 1.049 0 40 IDAB COCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3cc(Br)ccc3OC)nnc12 10969950 YBYWFOJSLWRZOD-UHFFFAOYSA-N 449.265 1.156 0 40 IDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(=O)n(CCOc2ccccc2)n1 12225241 KMDYHIUUISKUEH-UHFFFAOYSA-N 435.484 1.484 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 13009323 UHSCPERTJIXHKB-UHFFFAOYSA-N 428.518 1.799 0 40 IDAB COc1ccc(-c2nc(SCCN3CCOCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 13692219 GHTYKRRVLDGJPX-UHFFFAOYSA-N 443.529 1.127 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccco5)n4n3)CC2)cc1 13848208 JNCLXCQDFNRRLB-UHFFFAOYSA-N 440.485 1.904 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 14236248 DYOLPZDVFCYQOA-FOIQADDNSA-N 432.546 1.731 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2nnc(NC(=O)NC(C)(C)C)s2)CC1 15882705 ZSYQOJHFZIRRNJ-UHFFFAOYSA-N 430.556 1.851 0 40 IDAB O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3C(=O)c3cnccn3)[nH]c(=O)c2C1 19332093 QKWOSNSQLIQFQB-IBGZPJMESA-N 448.458 1.875 0 40 IDAB Cc1cc(S(=O)(=O)N2Cc3cn(C)nc3[C@@H](C(=O)NCc3ccccn3)C2)ccc1F 19701425 JBDAVDJKWNDLJW-SFHVURJKSA-N 443.504 1.867 0 40 IDAB CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc([C@H]2CCCNC2)n1 19709584 GEOWKFUZESYIFP-HNNXBMFYSA-N 444.561 1.691 0 40 IDAB O=C(NCCO)c1cc([C@H]2CN(C(=O)CN3CCCCCC3)CCO2)nc2ccccc12 19759428 UZIWGGCWBCZZGD-JOCHJYFZSA-N 440.544 1.733 0 40 IDAB COc1ccc([C@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)N2CCOCC2)cc1 19795872 BWBZPSFPTAAPFZ-NRFANRHFSA-N 437.496 1.871 0 40 IDAB COc1ccc(OC)c(-n2c(=O)[nH]c(O)c([C@H]3NCCc4c3[nH]c3ccccc43)c2=O)c1 20611697 CCYQHEZAHSACIC-HXUWFJFHSA-N 434.452 1.965 0 40 IDAB biogenic COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 20914147 GUYGTQSHMZYRSH-INIZCTEOSA-N 436.559 1.931 0 40 IDAB Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc1C 21604203 PTECKZRNEFZCFY-VYDXJSESSA-N 426.535 1.274 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccccc1F 22228754 SEUVPHOWZSLOSQ-UHFFFAOYSA-N 435.477 1.144 0 40 IDAB COc1ccc(NC(=O)C(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1OC 23127891 HCOWRZKCGUQNCV-LJQANCHMSA-N 427.457 1.359 0 40 IDAB CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(C)CC(=O)NCc1ccco1 27385080 ALLLJUDSZSOHTK-RPAADVPWSA-N 433.530 1.969 0 40 IDAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccccc2OC(F)(F)F)n(C)c1=O 27825674 SDMBWKZEKMHHAR-UHFFFAOYSA-N 425.367 1.751 0 40 IDAB Cc1nn(Cn2ccc(C(=O)NCCCN3CCOCC3)n2)c(C)c1Br 27973716 CIPGZLATPBVJNF-UHFFFAOYSA-N 425.331 1.417 0 40 IDAB CSc1ncc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)n1-c1ccc(F)cc1 32722644 UIRWIGCOICKXKR-UHFFFAOYSA-N 447.536 1.350 0 40 IDAB CCOC(=O)CCCNC(=O)COC(=O)CNC(=O)c1ccc(Br)cc1 32939998 MDYHMMTTYAJVAH-UHFFFAOYSA-N 429.267 1.182 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1CCc1nnc(SCC(=O)NCc2ccccc2Cl)o1 35597119 CTOFUBNZXPUPNQ-UHFFFAOYSA-N 435.893 1.602 0 40 IDAB CN(C)CCN(C(=O)CN(C)S(C)(=O)=O)c1nc2ccc(Br)cc2s1 36642451 BHKFRWOQSOSCAG-UHFFFAOYSA-N 449.396 1.845 0 40 IDAB CCOC(=O)N1CCN(CC(=O)N2C(=O)[C@@H]3CCCCN3C(=O)c3ccccc32)CC1 40386415 IADMKQGXSMQYOT-SFHVURJKSA-N 428.489 1.329 0 40 IDAB O=C(NCCc1ccccc1)[C@@H]1CSCN1S(=O)(=O)c1ccc2c(c1)OCCO2 40556270 JXRDBTWEFGPTRB-KRWDZBQOSA-N 434.539 1.880 0 40 IDAB COc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccccc3OC)n2)cc1 49421688 ASEXQNXYWARPJB-UHFFFAOYSA-N 429.454 1.732 0 40 IDAB CCOc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)cc1 57520423 QUPNROHAVVUOSF-UHFFFAOYSA-N 429.502 1.794 0 40 IDAB CNC(=O)c1cn(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)cn1 62007167 JOYFGFSKDSPEAA-UHFFFAOYSA-N 437.529 1.463 0 40 IDAB Cn1nc(Br)c2c(=O)n(CC(=O)NCc3ccc(-n4cccn4)cc3)cnc21 65551880 QBUQLLLUULOLPN-UHFFFAOYSA-N 442.277 1.395 0 40 IDAB CN(C)C(=O)N1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(S(=O)(=O)Cc2ccccc2)CC1 96143597 IWJKHAOHBPBQKF-ZWKOTPCHSA-N 434.562 1.053 0 40 IDAB COc1ccc([C@H](CNc2c(N3CCN(C(C)=O)CC3)c(=O)c2=O)N2CCCC2)cc1 101703548 UREFVOYFDMBFFR-IBGZPJMESA-N 426.517 1.209 0 40 IDAB Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@H]3C1=O 102790041 HNRXJCZEOHTRIT-PYJXJXBRSA-N 443.463 1.927 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCCSc1ncn[nH]1 222782639 PGEMLJRXVDSJOS-UHFFFAOYSA-N 439.563 1.575 0 40 IDAB COc1cc(NC(=S)NCCN2CCN(c3ncccn3)CC2)cc(OC)c1OC 225218149 ZNLFJKJOUKTIHH-UHFFFAOYSA-N 432.550 1.611 0 40 IDAB Cc1nc(CN2CC[C@@]3(CN(C(=O)c4ccn(C)n4)C[C@H]3c3cn(C)cn3)C2=O)cs1 306131102 JWPMBDAISMJLJF-KKSFZXQISA-N 439.545 1.577 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N(c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1C 575421166 HAGBXGOGIWQJCW-ZWKOTPCHSA-N 425.528 1.671 0 40 IDAB Cc1cc(C)c(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(O)n1 1616565656 UTSASJRCFPUGBG-QGZVFWFLSA-N 426.521 1.358 0 40 IDAB Cc1c(Br)cccc1C(=O)NC1CCN(c2cn(C)c(=O)n(C)c2=O)CC1 1889128231 MSJLVJYAIDYEJG-UHFFFAOYSA-N 435.322 1.554 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 4371080 QPNUMCMIGXVXMC-INIZCTEOSA-N 427.505 1.470 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2cccc(Br)c2)C1=O 8705836 DSBNDWAGOQBICG-LJQANCHMSA-N 445.273 1.677 0 40 IDAB CCn1c(S)nc(=O)c([C@H](c2ccccn2)c2c(O)nc(S)n(CC)c2=O)c1O 9190744 JBMZOOCPNWPKGS-SNVBAGLBSA-N 433.515 1.404 0 40 IDAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2cccs2)CS(=O)(=O)C3)cc1 10219759 OVKAUEMEMDJENT-UHFFFAOYSA-N 446.510 1.626 0 40 IDAB O=C(CC1CCCC1)NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21 11665925 ZNGGXEWTANRSCU-UHFFFAOYSA-N 435.536 1.639 0 40 IDAB CCOC(=O)[C@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859228 FLXDKBNUHWAQLZ-XNJGSVPQSA-N 436.383 1.839 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3CCC4(CC3)Nc3ccccc3S(=O)(=O)N4)cc2n1 12142335 VWPZCZLLWCPJDO-UHFFFAOYSA-N 426.502 1.682 0 40 IDAB COCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 12231856 XAMNZHZYHAQDPS-UHFFFAOYSA-N 426.452 1.533 0 40 IDAB CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 12930565 ZRPDKVNRRKXEGN-KRWDZBQOSA-N 442.557 1.198 0 40 IDAB CCn1nnc2c(N3CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(F)cc5)C4)CC3)ncnc21 13533521 ZTFMVOFIDZOZHN-CQSZACIVSA-N 438.467 1.082 0 40 IDAB CCCCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N 15183684 UGESIAFMLLTJIU-UHFFFAOYSA-N 440.595 1.698 0 40 IDAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 15701330 NHVFQIPCJDTJMH-SFHVURJKSA-N 429.546 1.442 0 40 IDAB C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16032930 OKERUZQAHHXNIF-YLSATLEASA-N 439.899 1.684 0 40 IDAB biogenic CCS(=O)(=O)N1CC[C@H](c2nc(O)c3c(n2)CCN(Cc2ccc(OC)cc2)C3)C1 19520256 OGGWXFQSGQMBEW-INIZCTEOSA-N 432.546 1.888 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccccc3)[nH]c2=O)C1 19572898 ONHFGQRYXDOMBM-GOSISDBHSA-N 430.530 1.384 0 40 IDAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 19710302 JLLHGQAXKHPXPA-INIZCTEOSA-N 429.546 1.991 0 40 IDAB COC(=O)C[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(OC)c(OC)c1 22139684 OUUVSKIRHAUECT-KRWDZBQOSA-N 429.473 1.970 0 40 IDAB O=CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 26110788 ZMIRKYUTYYFQTQ-CQSZACIVSA-N 448.372 1.836 0 40 IDAB O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)c1ccc2c(c1)OCCO2 32615737 OCBPLJALFGQVCG-UHFFFAOYSA-N 430.420 1.607 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3nnc4ccccn34)C2)s1 32903927 MKVUZFHZJKUHBI-HNNXBMFYSA-N 433.559 1.859 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NCCn2nc3ccccn3c2=O)cc1 40158042 UYYWXEINSNKQHB-JLHYYAGUSA-N 443.529 1.356 0 40 IDAB COc1c2c(c(S(=O)(=O)N[C@H](CO)Cc3ccccc3)c3c1OCO3)CCN(C)C2 40309481 CTIPPFXSLMAPQZ-HNNXBMFYSA-N 434.514 1.294 0 40 IDAB biogenic CC(C)(C)OC(=O)Cn1nc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cn2c1=O 49408007 NMTZZGCQQOMKPO-UHFFFAOYSA-N 444.513 1.585 0 40 IDAB O=C(O)c1cnc(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1N1CCCC1 49469143 OUDQEMYADPZSCH-UHFFFAOYSA-N 446.529 1.581 0 40 IDAB CCN(Cc1ncc(C(=O)O)c(N2CCOCC2)n1)S(=O)(=O)c1ccc(Cl)cc1 49469414 NYLOZRQBWQWRTG-UHFFFAOYSA-N 440.909 1.876 0 40 IDAB CCS(=O)(=O)NCCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 58162774 VPFUCQVVQGABFF-UHFFFAOYSA-N 426.564 1.552 0 40 IDAB CS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 72378053 WWACPWPVYDGJMX-CYBMUJFWSA-N 444.439 1.847 0 40 IDAB Cc1cc(C(=O)N2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)Nc3ccccc3)CC2)[nH]n1 96263581 OAUIILBHPOJSDR-NQIIRXRSSA-N 445.545 1.613 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)c1ccccc1 100137518 CTLPEIZGMLTZQX-SFHVURJKSA-N 434.330 1.318 0 40 IDAB CN1CCN(CCNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3O2)CC1 100180999 JUUQJISEWBASJT-DQHAIFDPSA-N 426.561 1.695 0 40 IDAB CN1CCN(CCCNc2c(N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2=O)CC1 101703809 BNSLJZAGVNVMMD-UHFFFAOYSA-N 431.968 1.312 0 40 IDAB COc1ccc(N2C(=O)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)nn1 409290220 KNIKELCNCRJCHU-RTBURBONSA-N 447.403 1.810 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCSc2c[nH]c3ccccc23)C1 585292142 XBAOAYFZJUSONT-RTWAWAEBSA-N 447.582 1.646 0 40 IDAB CCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C 930436 SYYRIFLXGHBECI-ZDUSSCGKSA-N 427.530 1.914 0 40 IDAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363820 GGGUGKOVCFATIS-INIZCTEOSA-N 444.492 1.519 0 40 IDAB COC(=O)CNC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 3363519 NWPVLBIBHILKEL-UHFFFAOYSA-N 434.470 1.550 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2nc(N)nc(N)n2)ccc1C 8922467 RNLBDNIUGVRLHC-LLVKDONJSA-N 439.567 1.494 0 40 IDAB Cc1ccc(C(=O)NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)s1 9223430 FQBCGAFUXAGICY-UHFFFAOYSA-N 437.543 1.754 0 40 IDAB O=C(NCc1ccco1)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCOCC3)cc2)C1 9233941 GQHZTOWHZRWYCG-INIZCTEOSA-N 427.457 1.187 0 40 IDAB CCN(C(=O)COC(=O)c1c(C)nn(Cc2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 9544201 LSCOTCXZSIRSQM-SFHVURJKSA-N 433.530 1.741 0 40 IDAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCCN1C(=O)CSC1=O 9588430 JVLYWGNYEKLQFI-UHFFFAOYSA-N 444.498 1.013 0 40 IDAB CN(C(=O)CSc1nnc(NCCc2cccs2)s1)[C@H]1CCS(=O)(=O)C1 12857029 BWFBECFNMCBGQP-NSHDSACASA-N 432.618 1.992 0 40 IDAB CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C 12889763 MVXWMRJNABVTPR-JXXFODFXSA-N 427.567 1.196 0 40 IDAB biogenic O=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 12913429 ZDFVCQMYVDLFRK-RXVVDRJESA-N 433.599 1.758 0 40 IDAB COc1cc(C(=O)OCC(=O)N(C(C)C)C(C)C)ccc1OCC(=O)N1CCOCC1 13039079 ZPZNWSDNGQKXQZ-UHFFFAOYSA-N 436.505 1.735 0 40 IDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 13040860 PPGUXIKVUHGGEQ-NWDGAFQWSA-N 445.453 1.413 0 40 IDAB COC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 13646760 POJPAOIQSJHSEP-GFCCVEGCSA-N 432.926 1.915 0 40 IDAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccncc2)c2ccco2)cc1 17043355 ARCPOLJVHYPRJY-LJQANCHMSA-N 427.482 1.931 0 40 IDAB COc1ccc(N2C(=O)C[C@H](N(O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1 18099527 CXHAMAQTOXEWAJ-ROUUACIJSA-N 439.424 1.359 0 40 IDAB Cn1nccc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 19289186 PSQZLUWPVOEVON-KRWDZBQOSA-N 426.452 1.193 0 40 IDAB CNC(=O)c1[nH]c(C2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)nc1-c1ccc(OC)cc1 19698811 VKGZJLOJUDKTTM-INIZCTEOSA-N 439.516 1.629 0 40 IDAB CN1C[C@@H](C(=O)N2CCC(c3ccc(C(=O)NCc4ccccc4)c(N)n3)CC2)CC1=O 19765901 PCEFPAGWNQBYNB-SFHVURJKSA-N 435.528 1.778 0 40 IDAB C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 20533395 WOVDBFKGXHXRMP-CFXBOMGRSA-N 443.862 1.781 0 40 IDAB CCOC(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 28660917 DLRYOAQMPPFVAY-KRWDZBQOSA-N 439.534 1.495 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)CC1 35686260 AAVRXAQNMVGOQU-CYBMUJFWSA-N 432.477 1.604 0 40 IDAB COC(=O)[C@H](CCSC)NC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1 41154586 QKGSTZFFQCICCQ-ZDUSSCGKSA-N 428.507 1.243 0 40 IDAB CCOc1ccccc1N1CCN(C(=O)c2snc3c(=O)n(CC)c(=O)[nH]c23)CC1 49409805 LAKFLTXLFUXRMR-UHFFFAOYSA-N 429.502 1.527 0 40 IDAB CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1 72273077 PJTOUBKREANBEB-UHFFFAOYSA-N 436.622 1.815 0 40 IDAB COc1cccc(CN2C[C@@]34CN(C(=O)c5ccccn5)C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 96145956 SBVNGCKQROIZPC-LMNJBCLMSA-N 429.498 1.288 0 40 IDAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 100186268 KXOOYMPHUPMNSA-RDNQGFKOSA-N 449.799 1.304 0 40 IDAB O=S1(=O)CC[C@H](N(CCCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)C1 104895656 SNGDAIKCVANXGO-INIZCTEOSA-N 436.983 1.240 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)c1 222882817 UNDLHKBZWICYKF-UHFFFAOYSA-N 439.559 1.725 0 40 IDAB CN1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 257209017 BOPVBXOCAQOZNK-SJORKVTESA-N 440.525 1.615 0 40 IDAB Cc1ccc2[nH]c(CCC(=O)N3CC[C@@H](n4cnc5c(N)nc(N)nc54)[C@](C)(O)C3)nc2c1 257271981 NAONTWDWUBOSJQ-IVZQSRNASA-N 449.519 1.333 0 40 IDAB NC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)CCS(=O)(=O)c1ccc(F)cc1 257336884 YQKWHCGQSXYCJJ-FQEVSTJZSA-N 447.532 1.230 0 40 IDAB O=C(NCCCO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408585552 ZMVAAQTYESFZFQ-QGZVFWFLSA-N 441.347 1.837 0 40 IDAB NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)CC1 408590407 HCAWOYWKCDDMRQ-UHFFFAOYSA-N 443.953 1.664 0 40 IDAB CCCn1ccc(C(=O)N2CCC3(CCCCOC[C@H](C)NC(=O)[C@H](C)NC3=O)CC2)n1 643564208 XOQVUYBNMIDLAG-ROUUACIJSA-N 447.580 1.725 0 40 IDAB CN1C(=O)COc2ccc(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)cc21 1544268282 KFXJYWGTOKXWPN-YJBOKZPZSA-N 427.432 1.324 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)C12CN(C(=O)N1CCOCC1)C2 1549168335 VCMJSQPQISKWDF-FQEVSTJZSA-N 440.544 1.763 0 40 IDAB O=C(c1cc(-c2cccc(C(F)(F)F)c2)ccn1)N1CCN2[C@@H](CNS2(=O)=O)C1 1597327362 KLULMDDVGFHEKL-HNNXBMFYSA-N 426.420 1.742 0 40 IDAB Cc1cccc(N2C(=O)[C@@H]3[C@@H](C(=O)NC4CC4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCC2)c1 1380957 URIUFZZOHPBRSB-ZJTKBAOVSA-N 435.524 1.987 0 40 IDAB CCCn1c(N)c(N(CCOC)C(=O)/C=C/c2ccc(C(=O)OC)cc2)c(=O)[nH]c1=O 3409773 ZGRQAQNIECKFBY-JXMROGBWSA-N 430.461 1.008 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n(-c4cccc(Cl)c4C)c(C)c(C)n23)n(C)c1=O 8708345 ZKVKIEZVOFLRMS-UHFFFAOYSA-N 429.864 1.890 0 40 IDAB CCOC(=O)[C@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)NC(=S)N[C@]1(O)C(F)(F)F 8741826 OENWNEXPHLZYGC-XHBSWPGZSA-N 438.424 1.661 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)N3CCCCCC3)C2)cc1 8991577 CIQBHDFJAGEFRY-KRWDZBQOSA-N 437.562 1.615 0 40 IDAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9499089 MFERCTRBVQBSFC-UHFFFAOYSA-N 434.499 1.988 0 40 IDAB Cc1ccnc(SCCCn2c(N3C[C@@H](C)O[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 9518916 ZBDIBSQCYNYKJY-ZIAGYGMSSA-N 445.549 1.318 0 40 IDAB COC(=O)[C@@H](C)O[C@H]1[C@H](NC(C)=O)[C@H](OCc2ccccc2)O[C@H]2COC(C)(C)O[C@@H]21 10382090 OEKDBUGAXUPTRV-YIQPBPGPSA-N 437.489 1.531 0 40 IDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)CCNC(=O)c3cccnc3)CC2)n1 12142953 ZAWYCXTVUYDYFO-UHFFFAOYSA-N 438.532 1.543 0 40 IDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 12998700 DQAYPCWRUYIFCX-UHFFFAOYSA-N 429.542 1.707 0 40 IDAB CC[C@H](C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)c1 13099034 VURCOUNBCOFQSD-ZDUSSCGKSA-N 425.532 1.924 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)CC1 13568851 UGJWAIBJMPEJRV-UHFFFAOYSA-N 439.534 1.784 0 40 IDAB Cc1cc(C)c(NC(=O)CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(C)c1 14200649 ZOABJLLAURYBBO-UHFFFAOYSA-N 434.496 1.738 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 14230882 JADMIXNATSNUFR-UHFFFAOYSA-N 437.543 1.439 0 40 IDAB O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14231160 NVZIBTLUWUZNEX-OAHLLOKOSA-N 425.938 1.412 0 40 IDAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 14246207 XYFGFVJOGLUSAU-CQSZACIVSA-N 434.518 1.828 0 40 IDAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)Nc1nccs1 17192635 DWADXOYOKVWTDC-UHFFFAOYSA-N 441.498 1.422 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c(=O)c2C1 19520408 JKYKAERLHWBSJA-GOSISDBHSA-N 448.520 1.984 0 40 IDAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)Cn3ccc(=O)[nH]c3=O)cc2N1 19520725 AWCHTVYDPXIPRV-KWCYVHTRSA-N 440.426 1.794 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cn3ccnc3CC)CC1)C2=O 19700695 AXBJKIIMMSWJMN-UHFFFAOYSA-N 444.580 1.481 0 40 IDAB Cc1nc([C@H]2CCCN(C(=O)Cn3cccnc3=O)C2)ncc1C(=O)NCc1ccccc1 19765427 IJBPMSYGEMZUJS-IBGZPJMESA-N 446.511 1.678 0 40 IDAB CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCCOC)cc2c1 19822965 LDDTXGYHGTYMGZ-UHFFFAOYSA-N 432.590 1.746 0 40 IDAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(CCc2ccccn2)CC1 20622887 TTWHOQZWEKVHGH-HXUWFJFHSA-N 442.585 1.869 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O[C@@H](C(N)=O)c3ccccc3)C2)cc1 21522891 HRBPMHDJFSGOPA-QFBILLFUSA-N 432.498 1.866 0 40 IDAB CC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1 25764271 VDZLBMGTRMKPGU-HXUWFJFHSA-N 441.509 1.528 0 40 IDAB CCNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)NC4CCCCC4)c(=O)c3s2)C1 33141264 MAAIEXZTIDXKBW-AWEZNQCLSA-N 446.577 1.654 0 40 IDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@H]2C(=O)N2CCCC2)C1=O 62587249 HXWNWIINZKJYNS-MBSDFSHPSA-N 426.517 1.847 0 40 IDAB Cc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(CC(=O)N(C)C)[C@@H]2CO)cc1 72321307 SGQONFISGWOZDK-DENIHFKCSA-N 425.485 1.596 0 40 IDAB biogenic,in-vitro NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OCC(F)(F)F)nc1 79107472 PMOHWPQDCSACKQ-OAHLLOKOSA-N 438.406 1.355 0 40 IDAB Cn1cc(-c2ccco2)nc1CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90606992 JZUVLOJXJWJIPT-UHFFFAOYSA-N 444.513 1.674 0 40 IDAB O=C(Nc1c[nH]cc(Br)c1=O)c1sccc1S(=O)(=O)N1CCOCC1 95446449 IYWGAJHQAIMYFX-UHFFFAOYSA-N 448.320 1.472 0 40 IDAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 105778957 FCPGTYGLNWQLEO-ZNMIVQPWSA-N 443.591 1.681 0 40 IDAB C[C@@H](C(=O)NCCOCc1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224113372 RLAZOXFDBMAQSJ-INIZCTEOSA-N 434.514 1.945 0 40 IDAB CCc1cc(CNC(=O)[C@H]2CN(C(=O)c3cccc(N4CCCC4)c3)CCN2C)on1 257291869 QIZDKBAORKYFEL-OAQYLSRUSA-N 425.533 1.910 0 40 IDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCN4CCCC4)cc3)C2)ncn1 257296060 RBBNIASKPBUOCY-DEOSSOPVSA-N 439.560 1.973 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCOCC2)C1 408587648 BTSZZBHDMZVQBA-SFHVURJKSA-N 439.578 1.243 0 40 IDAB CCOC(=O)C1CCN(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1 523205912 AGAIEQYIPOIHJH-UHFFFAOYSA-N 441.525 1.996 0 40 IDAB CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC(F)(F)C2)cc1F 610795008 ZSQPOWQFCZOQOL-JQWIXIFHSA-N 429.395 1.750 0 40 IDAB O=C(N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cc(Br)cc2nc(O)[nH]c12 1597594533 FTQKCAUGYLYUOJ-QFYYESIMSA-N 444.307 1.497 0 40 IDAB COc1ccc(NC(=O)CNC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1 2139673 YZQQLTKAYSDCTD-DIKXUDHVSA-N 436.461 1.146 0 40 IDAB biogenic CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1 8861008 ILYDJJZLOIPRKB-RHSMWYFYSA-N 449.554 1.689 0 40 IDAB CCOC(CCNC(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)OCC 9524572 VKKRGZKIQYPYII-JKSUJKDBSA-N 441.575 1.886 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 9590523 ZLHVQQHFOXETTO-OAQYLSRUSA-N 437.521 1.992 0 40 IDAB COc1ccc(O)c(C(=O)c2cnn(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2)c1 9613225 RSMHLUQWKDDYOU-UHFFFAOYSA-N 429.454 1.767 0 40 IDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 9613386 WVOJGZOPQXOXND-OAHLLOKOSA-N 435.483 1.319 0 40 IDAB COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 10119347 XLBBMYUODMHOCR-UHFFFAOYSA-N 438.527 1.468 0 40 IDAB O=C(c1ccc(Cn2cncn2)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 10391341 VTHHMTGJSYZWJS-UHFFFAOYSA-N 447.467 1.751 0 40 IDAB Cc1nc(S[C@@H](C)C(=O)NC[C@H]2CCCO2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525617 OUIVYXKZHYXDQE-GXTWGEPZSA-N 435.550 1.230 0 40 IDAB COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 11689696 NBLOHOLEKCTLTE-UHFFFAOYSA-N 448.497 1.521 0 40 IDAB O=C(c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)N1CCN(c2ccccn2)CC1 12029579 VJMBVAWVUCOVDG-SFHVURJKSA-N 449.554 1.005 0 40 IDAB Nc1nc(N2CCOCC2)nc2c1CCN(Cc1cc3c(cc1Br)OCO3)C2 12338388 KALZPJROXCZIFG-UHFFFAOYSA-N 448.321 1.945 0 40 IDAB O=C(NCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1F 12549115 BXVHPCDVYSVWKZ-XNTDXEJSSA-N 431.489 1.700 0 40 IDAB COCCCN(C(=O)Cc1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12817229 XJTIJQOMDLRNFQ-UHFFFAOYSA-N 440.475 1.918 0 40 IDAB CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1 13565569 QMJCMZXQJLPBGC-NRFANRHFSA-N 433.516 1.495 0 40 IDAB COc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@]34C=C[C@H]2O4)cc(OC)c1OC 13628338 DBJBXZBUIBMHFA-JKWAKEATSA-N 441.440 1.934 0 40 IDAB CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc3c(OC)ccc(OC)c3n2C)CC1 13721928 DIYWUSUTASWUMF-UHFFFAOYSA-N 432.477 1.226 0 40 IDAB Cc1ccc([C@@H]2CN(CC(=O)N3CCN(CCN(C)C)CC3)C[C@H]2c2csnn2)cc1 19211994 KJTFAYBYPBOCSG-LEWJYISDSA-N 442.633 1.735 0 40 IDAB CN(Cc1nc(NC2CC2)ncc1-c1ccccn1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 19586369 IMKPMOKUGIPMPA-CQSZACIVSA-N 437.547 1.062 0 40 IDAB COc1ccccc1NC(=O)c1cc2c(nc1N)CCN(C(=O)c1ccc(=O)n(C)c1)C2 19701145 WBPXHEOSDOWVRH-UHFFFAOYSA-N 433.468 1.822 0 40 IDAB Cc1nn(C)cc1[C@@H](C)NC(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O 19751400 WIOGVOJHJINCFP-CQSZACIVSA-N 425.464 1.837 0 40 IDAB CN1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4cnn(C)c4)CCO3)nc3ccccc23)CC1 19762583 JDIIXMNNSQDUSV-JOCHJYFZSA-N 448.527 1.570 0 40 IDAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 22770695 YBHCSEHSBGZULZ-UHFFFAOYSA-N 431.581 1.384 0 40 IDAB CCN(C(=O)[C@H](C)OC(=O)COc1cccc2c1OC(C)(C)C2)[C@H]1CCS(=O)(=O)C1 24224332 RZIDMFHIHFURHG-HOCLYGCPSA-N 439.530 1.746 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 25080451 NQLMAUCCNMILJE-LJQANCHMSA-N 446.525 1.978 0 40 IDAB Cc1nc(CN2CCN([C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cs1 32889911 USGHWZHASREZJJ-MRXNPFEDSA-N 431.562 1.535 0 40 IDAB O=C(CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1)N1CCCCC1 35349132 KHIUJQILHWNVDP-UHFFFAOYSA-N 448.589 1.241 0 40 IDAB COc1cc(N2C[C@@H](C(=O)N[C@H](C)C(=O)NCc3ccco3)CC2=O)cc(OC)c1OC 58052970 ZHFLAFYRDBLNSG-KGLIPLIRSA-N 445.472 1.479 0 40 IDAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(CCN1CCOCC1)c1ccccc1)C2=O 58161559 HXLQSBOPQFBFCV-UHFFFAOYSA-N 428.533 1.853 0 40 IDAB CCn1ncc(S(=O)(=O)N2[C@H]3CC[C@@H]2c2cnc(N4CCC[C@H](O)C4)nc2C3)c1C 72327896 VXPXUEVBTRWAKR-RLFYNMQTSA-N 432.550 1.413 0 40 IDAB O=C(NCC1(N2CCOCC2)CCCC1)c1sccc1S(=O)(=O)N1CCCC1 78879390 QAKFIWUUTGQGOF-UHFFFAOYSA-N 427.592 1.907 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)O)C[C@@H](O)Cn2cc(C=O)c3ccccc32)cc1 95117384 PCTQRQBATFNDHZ-KRWDZBQOSA-N 430.482 1.899 0 40 IDAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 95351892 OHKANMLNAYSUMQ-JCGIZDLHSA-N 431.514 1.749 0 40 IDAB CN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(C(=O)NCCc1ccccc1)CC2 96262236 KELJRFYVRINVQW-VQTJNVASSA-N 434.544 1.788 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222514050 PPEQLDJLGLWEFY-CYBMUJFWSA-N 449.916 1.648 0 40 IDAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccs3)C2)C(=O)N1Cc1cccc(Cl)c1 225389212 WQGGOPSXNPBNOO-AEFFLSMTSA-N 431.945 1.960 0 40 IDAB biogenic,in-vitro O=C1N[C@@H](CC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)c2ccccc21 257249739 JJPFMQRLGPHZNV-BEFAXECRSA-N 437.500 1.463 0 40 IDAB CCn1ccc(C(=O)N2CCN(C)[C@@H](C(=O)N3CCC(Oc4ccccc4F)CC3)C2)n1 257318316 VNJPPWFUVNNSKF-HXUWFJFHSA-N 443.523 1.868 0 40 IDAB CC(C)n1cc(CN2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cn1 306124585 BTXURTWJGHZYFM-OAQYLSRUSA-N 426.546 1.840 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2-c2cn3c(n2)SCC3)n(C)c1=O 390828621 SIBYDUQPPVKMBK-UHFFFAOYSA-N 437.485 1.042 0 40 IDAB CCn1c(S/C(=C/C2C(=O)NC(=O)NC2=O)C(=O)O)nnc1-c1ccc(Cl)cc1 408634924 XZYZNTYJSJSOGV-YRNVUSSQSA-N 435.849 1.661 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408653824 FYMRAIOUMRXVPG-UNVVTRJASA-N 430.457 1.605 0 40 IDAB Cc1ccc(OC[C@H]2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)nn1 1888897781 PSOCIIYGUXWVJN-HNNXBMFYSA-N 430.486 1.528 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)Cc5cccc(F)c5)C[C@@H]4C3)nn12 1888930499 HBCPIADPYVDNDJ-HOTGVXAUSA-N 430.509 1.724 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C)N2C(=O)CCC2=O)sc2c1CCCC2 1056427 YKVAZRFFBXEBJU-LLVKDONJSA-N 436.486 1.823 0 40 IDAB CC[C@@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C 4090784 MVXWMRJNABVTPR-YRNRMSPPSA-N 427.567 1.196 0 40 IDAB CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4cnccn4)ccc(=O)n2C3)CC1 8300423 QMSPLPAIYWRCTD-DLBZAZTESA-N 436.516 1.321 0 40 IDAB biogenic,in-vitro O=C1[C@H]2[C@@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C[C@@H]1CCCO1 9045642 QWTPFGWYUWQUJX-HZORQHOUSA-N 431.492 1.829 0 40 IDAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NC[C@@H]1COc2ccccc2O1 9494317 NJMOKXWIYSPMRE-MRXNPFEDSA-N 435.415 1.678 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)CCc2ccccc2)CC1 9570176 OFNNQNCVPDGCIL-UHFFFAOYSA-N 431.558 1.896 0 40 IDAB Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 12140185 IJNVYGFTWAYUSL-HXUWFJFHSA-N 445.541 1.473 0 40 IDAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 12390486 JISHWYZOAATIMF-INIZCTEOSA-N 438.527 1.091 0 40 IDAB O=C(NCCNS(=O)(=O)c1ccc(Cl)c2nonc12)c1ccc(Br)o1 12407604 PRBGSNDXILLCLN-UHFFFAOYSA-N 449.670 1.940 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(-c3ccncc3)n1C)C2=O 12584043 ZJQDZQWFKDYQFB-UHFFFAOYSA-N 429.506 1.501 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)N1CCC(C)CC1 13228014 ACHZPCJGCDIUPM-UHFFFAOYSA-N 426.452 1.387 0 40 IDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 13495554 KEJIKVYDIZSYAG-AWEZNQCLSA-N 443.481 1.379 0 40 IDAB CNC(=O)c1[nH]c(C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nc1-c1ccc(F)cc1 19698859 QPULITZQKZHBRD-UHFFFAOYSA-N 446.508 1.877 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2cccnc2N)CCO1 19703086 GVHWZZAOHMNUDQ-OAHLLOKOSA-N 441.513 1.863 0 40 IDAB CNCc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 19760891 VOONSQJWURXJJS-MRXNPFEDSA-N 433.534 1.559 0 40 IDAB CCN(CC)S(=O)(=O)N1CCCC[C@H]1c1nc(C)ncc1C(=O)N1CCOCC1 19767016 VXDKWYBIBRPLCA-KRWDZBQOSA-N 425.555 1.371 0 40 IDAB NC(=O)NCCC[C@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)O 20762203 AENLXCAMDSPPBH-ZDUSSCGKSA-N 425.283 1.812 0 40 IDAB biogenic O=C(c1cc(S(=O)(=O)NC2CC2)ccc1Br)N1CCC2(CC1)OCCO2 24996236 CNWFNMXZGAKQSO-UHFFFAOYSA-N 445.335 1.869 0 40 IDAB CCOc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C 26787679 WUTZCDZQNUBABW-UHFFFAOYSA-N 430.486 1.835 0 40 IDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnnn2C2CC2)CC1 35380197 OYHBWKXTRBSLPR-UHFFFAOYSA-N 429.550 1.445 0 40 IDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CNC(=O)c2ccccc2F)CC1 35440479 WZDGDXQOAVYLTE-UHFFFAOYSA-N 426.492 1.901 0 40 IDAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 40142368 JQDDWODBZIUYMS-IYBDPMFKSA-N 429.608 1.867 0 40 IDAB Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)n2)n1 49411625 FLNCTPDZKGPHCW-UHFFFAOYSA-N 426.521 1.861 0 40 IDAB biogenic Cc1ccc(Oc2ccc(NC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)cn2)cc1C 58159723 BRIXRLBBYNKDJS-UHFFFAOYSA-N 434.456 1.877 0 40 IDAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1nnc(N2CCOCC2)s1 58232059 OFQLEGKOAJSUOU-NEPJUHHUSA-N 428.511 1.553 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)N=C(c1ccccc1)C(=O)N2 64965696 GVMZOJOMTFWJOI-UHFFFAOYSA-N 427.482 1.573 0 40 IDAB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)cc1 70999415 XXCAOMGTAHKWQC-UHFFFAOYSA-N 428.474 1.125 0 40 IDAB CC(C)CCN1Cc2c(C(=O)N3CCN(C)CC3)ncn2-c2ccccc2S1(=O)=O 96147515 VHHIWNYZUVTGSP-UHFFFAOYSA-N 431.562 1.810 0 40 IDAB CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222741740 WADWMKZASORNHN-KRWDZBQOSA-N 427.567 1.226 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC 223859959 BTHLJPXMWANKRG-LBPRGKRZSA-N 426.516 1.498 0 40 IDAB COC(=O)[C@@]1(C)[C@H]2[C@H](OC(C)=O)[C@@H](O)c3cc(C(C)C)cc(O)c3[C@@]2(C)[C@@H](O)C[C@H]1O 252506817 VUPPXNVTSLGJHE-FFOOUDEMSA-N 436.501 1.673 0 40 IDAB biogenic,in-vitro Cn1c2c(c(=O)n(C)c1=O)C[C@]1(CCCN(C(=O)CCn3cnc4ccccc43)CC1)O2 257261600 LIAKNWCBVSDPML-HSZRJFAPSA-N 437.500 1.210 0 40 IDAB O=C1[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccccc1I 409281358 LHGDUYBCBRNCOE-ZOPJHEKZSA-N 439.205 1.477 0 40 IDAB O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1569694785 YPXYXJNHOCVNTO-LESCRADOSA-N 445.457 1.721 0 40 IDAB CN(C)[S@@](C)(=O)=NCC1CCN(C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 1655055759 SPJCVLIAASMOHL-GDJIYFAZSA-N 431.624 1.584 0 40 IDAB NS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1 933108 MNNCPOJHQHOHSV-HNNXBMFYSA-N 428.507 1.843 0 40 IDAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCOCC1 8686684 XVQIDARHBXCMAX-UHFFFAOYSA-N 440.499 1.515 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)O)cc1N(C)S(=O)(=O)c1ccc(C)cc1 8870932 YCZJEDCYKMGEJP-UHFFFAOYSA-N 442.515 1.582 0 40 IDAB COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1OC 10543702 CJLKXHOVVJTUQW-UHFFFAOYSA-N 426.516 1.706 0 40 IDAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1 12745881 DLUYUOYBBFBDBY-QFIPXVFZSA-N 447.455 1.661 0 40 IDAB CCOc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1S(=O)(=O)N(C)C 18089598 LXOGIUVQRILAAM-UHFFFAOYSA-N 426.516 1.991 0 40 IDAB COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)c4ccn(C)n4)C3)[nH]c(=O)c2C1 19290881 SSWRFGHMZICTFA-KRWDZBQOSA-N 448.527 1.700 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 20032924 HDTRYPCFKPRKKY-UHFFFAOYSA-N 439.559 1.270 0 40 IDAB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccsc2)CC1 22766219 CUUMNMBYCNAAQF-QGZVFWFLSA-N 430.530 1.563 0 40 IDAB Cc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC(C)(C)C)N(C3CCCC3)C(=O)[C@H]24)no1 35289986 KSBRUNIMBIHUGB-AFWPOZQOSA-N 442.516 1.929 0 40 IDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 36390517 ZOBHKIHSBLVDOK-FQEVSTJZSA-N 428.558 1.873 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCN(C3=NN=C(c4ccccc4)CS3)CC2)CC1 38489219 ZYYFMBTZBWDAMQ-UHFFFAOYSA-N 449.602 1.309 0 40 IDAB COc1ccc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c(OC)c1 45970408 IWWGGVOXECECFW-UHFFFAOYSA-N 431.474 1.346 0 40 IDAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 58054540 PQYPMCQKGLVPNF-UHFFFAOYSA-N 448.553 1.241 0 40 IDAB COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1 72309041 ANSXJSKGSIRSQD-APHBMKBZSA-N 447.351 1.068 0 40 IDAB O=C1[C@@H]2[C@@H](C(=O)N1CN(Cc1ccco1)CN1C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)[C@H]1C=C[C@H]2C1 100098727 PRSZJVBRIAQRQQ-WJVCUDDYSA-N 447.491 1.611 0 40 IDAB C[C@H]1CN(CCCc2nnc(CCCN3C[C@H](C)N[C@H](C)C3)n2-n2cccc2)C[C@H](C)N1 225153477 ZKUCFLTXOFGCFM-MYGLTJDJSA-N 442.656 1.621 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)c2ccccc2O1 225943522 XRSAAPIKTJDQKO-QAPCUYQASA-N 436.461 1.773 0 40 IDAB CCc1cc(C(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)on1 257250458 JMPGWOZNUMTUCR-HNNXBMFYSA-N 430.486 1.783 0 40 IDAB Cc1csc(Nc2cccc([C@H]3CN(S(=O)(=O)N4CCOCC4)CCO3)n2)n1 257298399 RLLMNHUWILXBPZ-OAHLLOKOSA-N 425.536 1.540 0 40 IDAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CCOC[C@@H](C4CCC4)C3)cn2)CC1 645006698 LAGHNKCNBXTWOU-KRWDZBQOSA-N 437.566 1.444 0 40 IDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3307341 RGCFTRRJZAVIPF-UHFFFAOYSA-N 437.474 1.539 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)cc1 3334594 UYSVCMZRIIQMPY-UHFFFAOYSA-N 442.501 1.836 0 40 IDAB COc1ccc(CC(=O)N=c2[nH]c3ccccc3[nH]2)cc1S(=O)(=O)N1CCOCC1 6153425 DZRJQJHFUAFYPZ-UHFFFAOYSA-N 430.486 1.196 0 40 IDAB O=C(NCCC1=CCCCC1)C(=O)NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 9154298 DMYCNCLKFKQZHQ-IBGZPJMESA-N 447.557 1.330 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc1OC 9303226 WNDGURXLUQSKEF-KNLNXMFASA-N 439.468 1.646 0 40 IDAB O=C(Cc1cn2ccsc2n1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 9876299 PZBLQQDNPYKIJC-UHFFFAOYSA-N 448.526 1.243 0 40 IDAB COc1ccccc1NC(=O)COc1ccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc1OC 12693031 WKSGJQDCZNZVEX-LBPRGKRZSA-N 445.428 1.462 0 40 IDAB O=S(=O)(c1ccc(Br)cc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009259 GKEVGYLWCCTECC-UHFFFAOYSA-N 449.334 1.936 0 40 IDAB CC(C)C[C@@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 13062909 GPNUCZCYFHPVTI-LJQANCHMSA-N 426.514 1.446 0 40 IDAB Nc1c(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)c(=O)[nH]c(=O)n1C1CC1 13116044 GMDKQLTZVWLAPE-ZDUSSCGKSA-N 443.441 1.324 0 40 IDAB Cn1cc(S(=O)(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c(=O)n(C)c1=O 13128481 HETCPAQKSNWQGK-UHFFFAOYSA-N 449.510 1.312 0 40 IDAB CC(C)CN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 15934610 MIWAOEAEUSIQEI-OAHLLOKOSA-N 436.983 1.632 0 40 IDAB CC[C@H](COC(=O)Cn1c(=O)oc2ccccc21)NC(=O)C(=O)Nc1ccc(C)cc1 16611393 ASOXYHOHXTVASQ-OAHLLOKOSA-N 425.441 1.980 0 40 IDAB Cc1ccc2oc(C(=O)N[C@H](C)C(=O)N3CCC[C@H](C(=O)CS(C)(=O)=O)C3)cc2c1 19221396 LOEMESIIKCIPNU-CABCVRRESA-N 434.514 1.712 0 40 IDAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1OC 20744222 IUCHBOUNHNIBDA-UHFFFAOYSA-N 447.513 1.541 0 40 IDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 27049684 LKYHGDKPMZSBOI-UHFFFAOYSA-N 429.477 1.990 0 40 IDAB CC[C@H](C)NC(=O)c1ccc2c(=O)n(C)c3nn(CC(=O)Nc4ccccc4)c(=O)n3c2c1 38486839 UUHHAYZRHWKLHS-AWEZNQCLSA-N 448.483 1.515 0 40 IDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1cc(C(=O)OC)n(C)c1 72305602 HJGQPKMQTRKNIL-UHFFFAOYSA-N 436.490 1.419 0 40 IDAB C[C@H](C(=O)NCCN1CCOCC1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327615 UGKSZTJAZAHFGG-UZUQRXQVSA-N 429.517 1.240 0 40 IDAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3nc4c(cc3=O)CO[C@H]4C)cc2)CC1 72342375 JAWFHQSBJQZSPQ-HNNXBMFYSA-N 446.529 1.894 0 40 IDAB O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(N2CCOCC2)nc1)c1nc2ccccc2s1 77261853 IHVSEQBCTMKTDW-BGRCLHOASA-N 440.525 1.536 0 40 IDAB biogenic,in-vitro NS(=O)(=O)c1ccc(CNC(=O)C[C@@H](Cn2cnnn2)c2ccc(Cl)cc2)cc1 95477566 DEVSSGFYUIHARH-HNNXBMFYSA-N 434.909 1.464 0 40 IDAB COCOC(=O)[C@@H]1N2C(=O)[C@H](N3C(=O)[C@H](c4ccc(O)cc4)NC3(C)C)[C@H]2SC1(C)C 100376553 XMNFWSAYWSUJMH-YRBFXIGRSA-N 449.529 1.179 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222610899 AMLKTHICGRJZAG-CQSZACIVSA-N 439.484 1.894 0 40 IDAB C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222894798 ZVMBHDJUEBMJTO-AWEZNQCLSA-N 425.482 1.344 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)[C@@H]3[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)nc2C1 247554296 WVDUAZJYPNDDPK-WTSVTZNLSA-N 432.546 1.456 0 40 IDAB O=C(NCC(=O)N1CCC(n2c(O)nc3ncccc3c2=O)CC1)OCc1ccccc1 390829943 HPSGPQRHHNKDNP-UHFFFAOYSA-N 437.456 1.587 0 40 IDAB Cn1c(=O)c2ccc(NC(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)cc2n(C)c1=O 1664749658 VFZFWNMVNGZAFZ-HNNXBMFYSA-N 441.875 1.818 0 40 IDAB COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1S(=O)(=O)N1CCCC1 2643206 JCTHXQYIXDBISO-UHFFFAOYSA-N 431.518 1.232 0 40 IDAB Cc1nn(CCC(=O)Nc2cnn(C)c2C(=O)NCc2cnn(C)c2)cc1Br 2804976 CWPPWTFYUYVUEK-UHFFFAOYSA-N 449.313 1.380 0 40 IDAB COc1cccc(-c2nnnn2[C@H]2CO[C@@H]3[C@@H](NC(=O)COc4ccccc4)CO[C@H]23)c1 4270617 GGENFWPURZZHKC-FMWKFLBASA-N 437.456 1.251 0 40 IDAB biogenic,in-vitro CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C 4411349 GPKHYEGVIIWOKA-OAGGEKHMSA-N 426.558 1.543 0 40 IDAB Cc1nnc(SCCn2c(N3CCC[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)s1 6529639 VXJNXUCRGATLNC-NSHDSACASA-N 435.579 1.622 0 40 IDAB Cn1c(=O)c2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n(C)c2n(C)c1=O 8601696 GHZQKTWAWJFBAD-UHFFFAOYSA-N 443.407 1.600 0 40 IDAB Cn1c(=O)c2c(nc(NCCCCO)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 8926352 FTFBKLZHTKDYHY-UHFFFAOYSA-N 426.304 1.973 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1CSCC1=O 9713639 HQLRJLBZLWMYHS-UHFFFAOYSA-N 427.548 1.731 0 40 IDAB Cc1cccc(N2CCN(C(=O)CCCC[C@@H]3[C@H]4NC(=O)N[C@@H]4CS3(=O)=O)CC2)c1C 12606043 AKQRRVNRROUZTE-QFUCXCTJSA-N 448.589 1.359 0 40 IDAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)on1 13225962 WJZDUKCXECNNBA-CQSZACIVSA-N 439.563 1.879 0 40 IDAB O=C1NCCN(C(=O)COc2ccccc2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164457 AIHJNWUEUXXXSI-NRFANRHFSA-N 436.512 1.131 0 40 IDAB Cc1ccc(CC(=O)N2CCC(c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)CC2)cc1 19209360 ZMYVPBXYTQFZJJ-UHFFFAOYSA-N 444.557 1.345 0 40 IDAB CCCN1CCN(C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccc(C)cc2N3)CC1 19503378 RSBGXDFKNPTOBA-KOSHJBKYSA-N 441.576 1.802 0 40 IDAB CCS(=O)(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699672 XVKUKJDLMMYUCC-QGZVFWFLSA-N 448.545 1.027 0 40 IDAB CNc1nc([C@@H]2CCCCN2C(=O)CCN2C(=O)CCCC2=O)nc2c1CCN(C)C2 19708678 DYBJDILVHZGQCL-KRWDZBQOSA-N 428.537 1.489 0 40 IDAB Cc1cccc(Cn2nnc(-c3nnc(SCC(N)=O)n3C[C@@H]3CCCO3)c2N)c1 19897435 WIYHUCYQKURGME-AWEZNQCLSA-N 428.522 1.232 0 40 IDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1 23819048 RXQSGRJRQVOUEF-NRFANRHFSA-N 448.401 1.934 0 40 IDAB CN1CCc2nc(NC(=O)c3ccc(NC(=O)CSc4nnnn4C)cc3)sc2C1 23909228 ZSUXMGDAMBHNRM-UHFFFAOYSA-N 444.546 1.638 0 40 IDAB COc1ccc([C@H](CNC(=O)c2cc(N3CCOCC3)ccn2)N2CCOCC2)cc1 23989547 ALFSRHOTTFKEQK-QFIPXVFZSA-N 426.517 1.730 0 40 IDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)C1 29198242 BINKFCVHYLUBLP-GXTWGEPZSA-N 444.351 1.342 0 40 IDAB CC[C@H](C)N(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 34896575 NWJBEJSMUSMDSQ-GXZWQRSESA-N 449.529 1.030 0 40 IDAB CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCN(c3ccccc3)CC1)N2C 35442443 BVXUZVKDYZLQIW-XJUOHMSHSA-N 427.593 1.397 0 40 IDAB biogenic,in-vitro O=CN1CCN([C@H](C(=O)O)c2cn(CCC(=O)O)c3ccc(Br)cc23)CC1 36359785 OCIMFLOPKDIGKG-KRWDZBQOSA-N 438.278 1.778 0 40 IDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 48326215 SHKBLGCSIDWVHT-IBGZPJMESA-N 430.484 1.002 0 40 IDAB O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)Nc1ccc2c(c1)OCCO2 49421697 GPYINWNKAXJAFD-UHFFFAOYSA-N 445.428 1.625 0 40 IDAB CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cc(C)ccc2C)CC1 72260187 XSQJBKMOUIUNCH-UHFFFAOYSA-N 438.532 1.537 0 40 IDAB Cc1nc(S(=O)(=O)N2CCC(C(=O)OC3CN(C(=O)OC(C)(C)C)C3)CC2)cn1C 72310653 RRZREMBNFQKSFA-UHFFFAOYSA-N 442.538 1.292 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2ccc(O)cc2oc1=O 95471153 SYHRUUMZNXHBAE-UHFFFAOYSA-N 430.438 1.772 0 40 IDAB COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NC(C)C)CC4)c3CO2)cc1 97943654 GNXARYSNERJMJD-IBGZPJMESA-N 427.505 1.935 0 40 IDAB Cn1cc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CN[C@H]3C=CS(=O)(=O)C3)CC2)n1 100731909 GTPNNFNMZJEONX-UHOSZYNNSA-N 443.573 1.772 0 40 IDAB CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 100777860 QXJUHVKDXVNFBY-RDGPPVDQSA-N 435.590 1.802 0 40 IDAB O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101575448 LTJJAKOVNBBMIM-JEEZSXDXSA-N 439.556 1.632 0 40 IDAB O=C1C[C@H](N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1 103176424 SPWNIQHFUQAPHI-FQEVSTJZSA-N 445.516 1.896 0 40 IDAB CC1(C)[C@@H](C(=O)O)N2C(=O)[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@H]2[S@@]1=O 104222440 KFMXQHTUJPHSSN-FKGVYEASSA-N 426.494 1.466 0 40 IDAB O=C(NCCCN1CCOCC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 223067903 JPCKEIBWCAUCBL-UHFFFAOYSA-N 429.542 1.890 0 40 IDAB CCN1CCN(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)C(=O)C1=O 244933132 CCWLFZHUWGDFPQ-UHFFFAOYSA-N 428.415 1.173 0 40 IDAB Cc1nc(CN2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)C2)co1 257320048 VVCUGCKOUYDPSL-HSZRJFAPSA-N 446.523 1.936 0 40 IDAB Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)CCN1C(=O)COCC1=O)C3 257331804 XUHZWFUBNYASRQ-HTAPYJJXSA-N 442.512 1.848 0 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CCc1cc(CC)n(-c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2CCOC)n1 12232174 PRKXGDUEMMEZLF-UHFFFAOYSA-N 436.516 1.902 0 40 IDAB CC(C)c1ccc(NC(=O)[C@H](C)OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12793171 RIEOPNZANRDRLD-WMLDXEAASA-N 449.529 1.846 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)NC3CCCCC3)C2)cc1 13655066 VSCRLDHVPJDQHP-INIZCTEOSA-N 437.562 1.661 0 40 IDAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC[C@H]1CCCO1 14245980 ZCMKYJNPFNMXSS-MRXNPFEDSA-N 443.953 1.248 0 40 IDAB CC(C)Cc1nn2c(=O)cc(COC(=O)CN3C(=O)c4ccccc4C3=O)nc2s1 15734063 GFKNLTMZGSEKQK-UHFFFAOYSA-N 426.454 1.689 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16022125 PYQOJUKCUHSMAI-GBPOLFSSSA-N 439.443 1.141 0 40 IDAB O=c1[nH]c(O)ncc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 16047702 KDLJYKPPXPMWRZ-UHFFFAOYSA-N 426.498 1.571 0 40 IDAB Cn1cc(C(=O)N2CCO[C@@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)cn1 19703098 TYXIVZSWXCVBFO-MRXNPFEDSA-N 441.513 1.716 0 40 IDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(N2CCOCC2)c(Cl)c1 21174305 JLANPGVISPTTND-UHFFFAOYSA-N 435.889 1.960 0 40 IDAB Cc1ccc(CNC(=O)[C@@H](C)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 40135404 ODHGHJFOWLSDBO-QGZVFWFLSA-N 426.542 1.766 0 40 IDAB C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCO[C@H](C)C4)nc3)cn2)CCO1 48287975 GAMWQFGQIWCWQN-QZTJIDSGSA-N 440.548 1.926 0 40 IDAB Cn1cc(C(=O)NC2CCN(C(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)CC2)cn1 48364137 DSVVZCZBUSWFRX-UHFFFAOYSA-N 441.507 1.832 0 40 IDAB Cc1nc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)sc1C(=O)N(C)C 70638037 SHRXXQNILZXJMC-UHFFFAOYSA-N 440.533 1.984 0 40 IDAB CCCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(CC)CC(=O)NC(C)C 89960382 NBWFPDKMPRCFBW-UHFFFAOYSA-N 435.568 1.382 0 40 IDAB CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccc4)cn23)CC1 96038413 BXSNGBYEVJZFRW-UHFFFAOYSA-N 426.542 1.993 0 40 IDAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124249 CQVSDYAIIFSVOH-UHFFFAOYSA-N 433.394 1.804 0 40 IDAB O=C1NC2(CCN(C(=O)NCCc3ccc(F)cc3)CC2)[C@@H]2CN(c3ncccn3)C[C@H]12 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Cc1cc(Nc2nc(C)nc3c2CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C3)[nH]n1 257232575 GLLZOJYEDDCJIH-UHFFFAOYSA-N 433.538 1.116 0 40 IDAB CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)[C@@H](C(=O)N(C)C)C1 257324807 WQGPNFLPOPKIIG-MRXNPFEDSA-N 427.471 1.548 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCN2CCOCC2)C1 408587038 BBVWKXMPQYTOJA-HNNXBMFYSA-N 445.969 1.198 0 40 IDAB COc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(OC)c1 408661230 MFUFMXVNVNGAIM-USEHDAJUSA-N 430.457 1.607 0 40 IDAB O=C(NC1CS(=O)(=O)C1)[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 585101876 HUJGXYLLTNFHCJ-FQEVSTJZSA-N 444.557 1.014 0 40 IDAB CN(Cc1ncccn1)C(=O)[C@H]1CN(Cc2cccc(OCCO)c2)CC12CCOCC2 585102006 VXSIHCJEMWKEBQ-OAQYLSRUSA-N 440.544 1.735 0 40 IDAB OCCOCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 585269975 SANUNXMTRGPCHF-DQEYMECFSA-N 441.572 1.442 0 40 IDAB CC(=O)N1CCC(N2C[C@@H]3OCCS(=O)(=O)N(Cc4cccc(F)c4)[C@@H]3C2)CC1 1534645955 ZABGAXLPGUXUKK-UXHICEINSA-N 425.526 1.051 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 1641396628 IWAGPWQDYQQFHC-OAHLLOKOSA-N 449.581 1.582 0 40 IDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 2620114 OPZJNMIUJYEZEY-OAQYLSRUSA-N 442.497 1.269 0 40 IDAB CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3ccccc3-n3cnnn3)ccc21 8877820 FEBCAQVFFRKPTN-UHFFFAOYSA-N 441.469 1.414 0 40 IDAB Cc1cccc(S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC2CCCCC2)c1 9388207 KAIZCMDUSSIOPX-UHFFFAOYSA-N 425.507 1.365 0 40 IDAB CSCC[C@H](NC(=O)c1cccs1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12 9409732 XELGBTYOVSOPIJ-HNNXBMFYSA-N 433.603 1.986 0 40 IDAB COc1ccc(OC)c(-n2c(C)cn3c4c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c4nc23)c1 9713114 YOZMZKIKXZESQH-LBPRGKRZSA-N 425.445 1.614 0 40 IDAB Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 12715177 YEXLQYGFVHSWQS-TZMCWYRMSA-N 431.518 1.463 0 40 IDAB O=S(=O)(c1ccc(Br)s1)N1CCN(Cc2nnnn2C2CC2)CC1 12769237 YIIRCSGVFILLSA-UHFFFAOYSA-N 433.357 1.339 0 40 IDAB Cc1sc2ncnc(N3CCC(C(=O)N4CCC5(CC4)NC(=O)NC5=O)CC3)c2c1C 12890204 JULUYJBDDLVUGL-UHFFFAOYSA-N 442.545 1.725 0 40 IDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 15190616 QZBIGSFENQVENB-UHFFFAOYSA-N 427.486 1.605 0 40 IDAB Cc1ccnc(SCCn2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1 18205288 JDZMJVUQIWGCKI-OKILXGFUSA-N 443.577 1.807 0 40 IDAB Cc1nc(C)n(CC(=O)N2CCCC[C@H]3CN(C(=O)CCCN4CCCC4=O)C[C@H]32)n1 19285738 YEPSXCLYZZJLEM-RBUKOAKNSA-N 430.553 1.137 0 40 IDAB COc1ccc(-c2nc([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)[nH]c2C(N)=O)cc1 19698891 FQCMMLUOJKGHGN-MRXNPFEDSA-N 427.505 1.222 0 40 IDAB Cn1nc(C2CC2)cc1C(=O)N1CCO[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19759100 JFDXHPIIFPSMKJ-JOCHJYFZSA-N 449.511 1.782 0 40 IDAB O=C(Nc1ccccc1C(=O)N1CCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 21598008 JUCPKJKOXMYUGJ-AWEZNQCLSA-N 432.502 1.027 0 40 IDAB CN1[C@@H](CCC(=O)NCc2ccc(F)cc2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1csnn1 22922879 NQUMJHDZESGPQX-NSHGMRRFSA-N 446.552 1.147 0 40 IDAB biogenic,in-vitro O=C(Nc1ccccc1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 22989702 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CONS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 40106844 GYQDDYMBFLJWID-HUUCEWRRSA-N 434.518 1.465 0 40 IDAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1C[C@H](C)O[C@H](C)C1 40159864 WLZOMBNZFSRRDK-ZRGWGRIASA-N 426.535 1.787 0 40 IDAB Cc1ccc(N2N=C(C(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)NCC2=O)cc1 58173690 CASOYUWXEZOMEY-SFHVURJKSA-N 425.489 1.336 0 40 IDAB CCCCOc1ccc(-c2cc3c4nn(CC(=O)NCCOC)c(=O)n4ccn3n2)cc1 67290639 JFTBQPILWUERJF-UHFFFAOYSA-N 438.488 1.752 0 40 IDAB CCOC(=O)N1CCC(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)CC1 67320485 LOZQFKQCTIGKFT-UHFFFAOYSA-N 432.452 1.184 0 40 IDAB CCOC(=O)N(C)c1ccc(NC(=O)N2CCN(CC(=O)NCCCOC)CC2)cc1 72289434 JQJKWPUEYJPCMR-UHFFFAOYSA-N 435.525 1.582 0 40 IDAB CCc1noc(CCC(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCN(C)CC4)cn3)C2)n1 72345756 ZYRRFYDLKORJKP-GOSISDBHSA-N 440.548 1.753 0 40 IDAB COc1ccc(CN2CCN(C(=O)COc3cn(C)c(C)cc3=O)CC2)c(OC)c1OC 95473963 XFDVKKVATSFSHH-UHFFFAOYSA-N 445.516 1.443 0 40 IDAB COC(=O)C1CCN(C(=O)CN(c2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)CC1 220057927 HJAMRYVTWNWUAH-UHFFFAOYSA-N 448.925 1.535 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@H](CO)[C@@H](O)[C@@H]1O 245227677 SMWDBPKQNHBCGZ-XVIXHAIJSA-N 433.301 1.047 0 40 IDAB CN(C)CCNC(=O)[C@@H]1CC[C@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N21 306132876 LVEIUBZZSWTZHG-ICSRJNTNSA-N 443.573 1.301 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O 408626457 XFOZKFNVNGRZGP-UHFFFAOYSA-N 437.493 1.997 0 40 IDAB Cc1ccc(S(=O)(=O)N(CCCCCC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)c(C)c1 575422951 DRUXLMLRGYZCBK-HOTGVXAUSA-N 433.548 1.097 0 40 IDAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCC1 859436 PBFURKMOUOWFGW-AZUAARDMSA-N 442.578 1.580 0 40 IDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1=O 8862198 LSKYFFKJYJUOKT-FQEVSTJZSA-N 429.502 1.792 0 40 IDAB CCCCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 10641476 IUIFSVBJXRZOJP-QGZVFWFLSA-N 428.576 1.901 0 40 IDAB COc1ccc2c(C)c(CC(=O)N[C@H](CCCCNC(N)=O)C(=O)O)c(=O)oc2c1C 11865635 RCUBXHXUESUAKV-OAHLLOKOSA-N 433.461 1.369 0 40 IDAB biogenic Cc1c([C@@H]2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)N(C)S(=O)(=O)N2)cnn1C 12130921 LPOKHCWVYNLQJM-LSDHHAIUSA-N 431.440 1.966 0 40 IDAB COc1ccc2c(C)cc3nnc(SCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)n3c2c1 13038671 CKPRDQBQIRETTG-ZDUSSCGKSA-N 434.543 1.937 0 40 IDAB C[C@H](Oc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1)C(=O)NC1CCCCC1 13566675 GUQAIBWYRALAKR-KRWDZBQOSA-N 439.578 1.513 0 40 IDAB COc1cccc(CCNC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 19564598 FRMCRHVLIKVGEK-QHCPKHFHSA-N 437.500 1.313 0 40 IDAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)c2c(nc(N3CCOCC3)[nH]c2=O)N1 20800190 FXFGDPMOICBAPY-JTQLQIEISA-N 438.271 1.978 0 40 IDAB Cc1c(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cnn1-c1ccc(O)nn1 29883260 QBIYHFITRPWUKD-SFHVURJKSA-N 426.452 1.619 0 40 IDAB COC(=O)c1cc(NC(=O)CSc2nnc([C@H]3CCCO3)n2N)cc(C(=O)OC)c1 32946409 NFCJRNQTYQOYAL-CYBMUJFWSA-N 435.462 1.147 0 40 IDAB O=C(CN1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1)Nc1ccc(F)cc1 35361698 BWUZLYABDQNZMF-UHFFFAOYSA-N 445.495 1.163 0 40 IDAB O=C(Nc1nccs1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 36354046 VJSQNKXRBAYYIL-ZDUSSCGKSA-N 436.515 1.156 0 40 IDAB CCS(=O)(=O)N(C)CCCNC(=O)CSc1nncn1-c1ccc(OC)cc1 40122164 HLYOIMZMICELPK-UHFFFAOYSA-N 427.552 1.156 0 40 IDAB CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1 57428173 XDSQHHWCSGULGO-QGZVFWFLSA-N 443.525 1.967 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(CC(=O)Nc3ccccc3C(N)=O)C2)cc1 58325044 XVZAETNESSDUQQ-QGZVFWFLSA-N 444.557 1.723 0 40 IDAB NC(=O)CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 65622940 YOMUUEUADKXXRA-UHFFFAOYSA-N 426.292 1.143 0 40 IDAB O=C1CCCCCN1CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 69416258 KJIYGFXZXZTQFB-UHFFFAOYSA-N 440.541 1.634 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@@H](C)C(=O)N3CCSCC3)CC1)NC2=O 72327479 UEDDKCGMRVLZGW-LHSJRXKWSA-N 433.530 1.490 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc1OC 77197073 NQDYYUNOOKPBIA-UHFFFAOYSA-N 444.517 1.499 0 40 IDAB O=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)c1cccc(-n2cnnn2)c1 96024203 ZSZYNRNMHGOCTJ-UHFFFAOYSA-N 444.499 1.398 0 40 IDAB CN(C)C(=O)CN1C[C@H]2CCN(C(=O)Nc3ccccc3Cl)CC[C@H]2S1(=O)=O 96263778 HMXDEIBQCVFOAH-CZUORRHYSA-N 428.942 1.686 0 40 IDAB C[C@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)C[C@H]3C(=O)Nc2ccc3c(c2)OCCO3)C1 139080708 IQTNHDJWZGEDLH-GXTWGEPZSA-N 439.472 1.842 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 222459696 WPPMYJKCKWVJHR-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB O=C(CCc1ccccc1F)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224496180 JBBJRDZSOMLOFP-UHFFFAOYSA-N 436.505 1.974 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)cc1 225782377 AWUWKIMYSAFJNT-UHFFFAOYSA-N 430.461 1.282 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(NS(C)(=O)=O)nc1C 225876530 FSHPJCDWEPDLCH-UHFFFAOYSA-N 432.549 1.634 0 40 IDAB O=C1CNC(=O)C2(C/C=C/C[C@H]3COCC[C@H]3N1)CCN(Cc1ncccc1F)CC2 257282690 OUVDYFNUOQMCLI-IZMBPXMOSA-N 430.524 1.790 0 40 IDAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)cc2)cc1C 408589319 FAGPCPARDVXNIU-UHFFFAOYSA-N 447.557 1.931 0 40 IDAB CCn1c(Cn2nnc(-c3ccc(C)cc3)n2)nn([C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)c1=S 1432443 XAWWFIUGBZWPBZ-XUWXXGDYSA-N 427.490 1.700 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 3412308 ACLDFXSQYAQFQH-UHFFFAOYSA-N 441.506 1.479 0 40 IDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1CCN(c2ccccc2)CC1 8725050 QXPRCPUGEWBNOC-UHFFFAOYSA-N 435.532 1.125 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)CSc2nnc(-c3ccco3)n2CC)c(=O)[nH]c1=O 9245217 NELZGXKGHHXKDR-UHFFFAOYSA-N 447.521 1.545 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)NCCCc1ccco1 12086630 QCDDMGQYIJJKFB-HSZRJFAPSA-N 425.485 1.902 0 40 IDAB O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 12322313 QBRSYANOOQQNJD-UHFFFAOYSA-N 436.877 1.788 0 40 IDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)CC(=O)Nc1cccc(F)c1 13009328 LYQOFQMLIWJGIF-IBGZPJMESA-N 433.505 1.999 0 40 IDAB CCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n[nH]c1=O 13097374 ILEVUDWDJFXWMN-UHFFFAOYSA-N 439.563 1.887 0 40 IDAB Cn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2c1=O 13141138 LQPMGUMMOXTWLS-UHFFFAOYSA-N 428.470 1.207 0 40 IDAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 13513633 WRXGFMQMLNRHIX-HNNXBMFYSA-N 431.580 1.254 0 40 IDAB CCOc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)NCc1cccnc1 13732045 MMFFFVIMZIBIOV-CYBMUJFWSA-N 439.515 1.271 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)c1ccccc1 15038878 TVKRYBQKWSFGKR-UHFFFAOYSA-N 437.468 1.618 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 15563152 SSJJJIFAPORBPW-UHFFFAOYSA-N 448.339 1.418 0 40 IDAB CC(C)(O)C(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19700674 ODNXZAJNVIWMOT-UHFFFAOYSA-N 442.560 1.583 0 40 IDAB Cc1cc(S(=O)(=O)N(C)Cc2nc([C@@H]3CC(=O)N(C)C3)cc(N(C)C)n2)ccc1F 19700927 AASOAMMZJYVCRT-CQSZACIVSA-N 435.525 1.757 0 40 IDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC(=O)N(c2ccccc2)C1 20734697 KCAUDOHWXOPHIW-HDICACEKSA-N 434.496 1.325 0 40 IDAB Cc1cccc(N2C[C@@H](C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)CC2=O)c1C 23461686 FQRXJHNATBWNPC-KRWDZBQOSA-N 433.516 1.682 0 40 IDAB COc1cc(C(=O)OCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc2c1OCCO2 27873085 ASPXEUPWHLODGI-HNNXBMFYSA-N 429.425 1.922 0 40 IDAB COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1F)C(=O)OC 31808315 JVLAOMGRSXSNLH-YOEHRIQHSA-N 438.843 1.964 0 40 IDAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2cc(S(N)(=O)=O)ccc21 32946565 UXZPOMABICAHDM-UHFFFAOYSA-N 434.499 1.723 0 40 IDAB CCOC(=O)C1CCN(C(=O)C[C@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 36601334 MSDCWUVBNATHAS-OAHLLOKOSA-N 431.445 1.232 0 40 IDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 40129123 LNTXFGJUOFJFMZ-GOSISDBHSA-N 432.481 1.793 0 40 IDAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(-n3cnnn3)cc2)C1=O 58309310 QHTULMSXPWENIR-OAQYLSRUSA-N 435.444 1.467 0 40 IDAB NC(=O)c1cnc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(Cl)c1 89769865 BVFBQSLINYPBGE-UHFFFAOYSA-N 442.856 1.246 0 40 IDAB Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)NCCCN3C(=O)CNC3=O)cs2)c1 96004324 GCWWNZWLYCZISY-UHFFFAOYSA-N 431.474 1.010 0 40 IDAB CCN1C[C@H]2C3(CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)CC[C@@]2(C(=O)NC)C1 96143866 DAALWIFWMIHBQR-SIKLNZKXSA-N 435.590 1.944 0 40 IDAB C[C@@]12CC[C@H](C[C@@H]1C(=O)NCCCN1CCCC1=O)[C@]1(C2)NC(=O)c2cccnc2N1 100208230 HOAPDDJDVGCSKP-ITDCYHAQSA-N 425.533 1.888 0 40 IDAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CN1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 101850955 YBRVYXFABSNUBU-OYNPSCLESA-N 426.623 1.597 0 40 IDAB O=C(CCn1cnc2ccccc2c1=O)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O 206636655 UEMRYJXSGBHEEI-UHFFFAOYSA-N 445.483 1.358 0 40 IDAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)s1 225829235 QREBUTMMNGOGRJ-UHFFFAOYSA-N 428.517 1.731 0 40 IDAB CC(=O)N[C@]12CCO[C@@H](CCNC(=O)C3CCN(C)CC3)[C@@H]1C[C@H]1C[C@H]2[C@@H](C)NC1(C)C 257240645 HUMWISPCJFHPEZ-VDKDJWFESA-N 448.652 1.911 0 40 IDAB CNC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 257261007 LFJSJPOKGXMSOJ-MRXNPFEDSA-N 441.454 1.122 0 40 IDAB Nc1nc(CN2CCN(C(=O)c3cc(N4CCNC4=O)ccc3F)CC2)nc2ccccc12 523140540 XQZFHFWCNYKULL-UHFFFAOYSA-N 449.490 1.839 0 40 IDAB O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 4373127 RDDJSRYWWUTECM-GOSISDBHSA-N 436.555 1.891 0 40 IDAB O=S(=O)(c1cccc(Br)c1)N1CCN(C(=S)NC[C@@H]2CCCO2)CC1 8877805 QLXWEBWSTIXZBH-AWEZNQCLSA-N 448.408 1.809 0 40 IDAB O=S(=O)(c1cccc(Br)c1)N1CCN(C(=S)NC[C@H]2CCCO2)CC1 8877812 QLXWEBWSTIXZBH-CQSZACIVSA-N 448.408 1.809 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)N3CCCCCC3)C2)cc1 8991578 CIQBHDFJAGEFRY-QGZVFWFLSA-N 437.562 1.615 0 40 IDAB CC(=O)c1ccc(N2CN=c3s/c(=C4\C(=O)Nc5c(C)cc(C)cc54)c(=O)n3C2)cc1 9014246 NPZCCZOQFXLORT-ZZEZOPTASA-N 432.505 1.935 0 40 IDAB CS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)ccc21 9862613 HDLVKIPCHOELAG-JOCHJYFZSA-N 439.493 1.585 0 40 IDAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 10276963 TXNYHGQUZMGAEX-JOCHJYFZSA-N 449.507 1.867 0 40 IDAB CCc1nc(SCC(=O)Nc2ccc(OC)c(OC)c2)c2c(=O)n(C)c(=O)n(C)c2n1 11758072 PWUDFLGLONBQCI-UHFFFAOYSA-N 445.501 1.338 0 40 IDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 11858234 GQXNVTRAICCEDO-GFCCVEGCSA-N 438.483 1.587 0 40 IDAB CCN(C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 12633761 ICAMORWJLMMRKA-SFHVURJKSA-N 432.498 1.148 0 40 IDAB Cc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12784110 IGXXVUOUYOJWCQ-HNNXBMFYSA-N 432.546 1.711 0 40 IDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)nc2n1 13005903 ASWCLOJUUNQZPA-UHFFFAOYSA-N 430.852 1.648 0 40 IDAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1=O 13127707 JJARHQUKINLVGX-UHFFFAOYSA-N 440.544 1.824 0 40 IDAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCC(=O)N1CCCC1 14170788 UKIHRQFGEPOMAP-OAHLLOKOSA-N 431.555 1.354 0 40 IDAB Cc1ccc2nc(CNc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc(=O)n2c1 15323072 HSWFLIRAIMYADL-UHFFFAOYSA-N 432.477 1.775 0 40 IDAB O=C(COc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)N1CCCCCC1 16689915 XXTXDWWSONGHAD-UHFFFAOYSA-N 443.500 1.972 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)on3)CC2)c(-c2ccncc2)n1 19290319 ICSJWQKMWYJRNL-UHFFFAOYSA-N 442.501 1.494 0 40 IDAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 19575332 XFNASZKKNLWFAK-WLRLJWMZSA-N 426.561 1.576 0 40 IDAB CN1C[C@H](c2cc(N(C)C)nc(C3CCN(C(=O)CN4CCCCC4)CC3)n2)CC1=O 19697518 GYJLQMUMFMDCNG-GOSISDBHSA-N 428.581 1.680 0 40 IDAB C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O 20467264 KCZJYTJPXOCHNF-WLULSOSOSA-N 444.576 1.893 0 40 IDAB biogenic,in-vitro CCOC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1cccs1 20559168 ODRAULWXMZZNTL-KRWDZBQOSA-N 428.518 1.531 0 40 IDAB COc1cc2ncn(CC(=O)NCC(=O)N3CCc4ccccc4C3)c(=O)c2cc1OC 20762654 TVUZGJQIEIZRBX-UHFFFAOYSA-N 436.468 1.115 0 40 IDAB biogenic C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(CC(=O)N2CCCC2)CC1 22927372 OAYUUWMXJXVDTG-IBGZPJMESA-N 429.565 1.090 0 40 IDAB NS(=O)(=O)c1ccc(OCCN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 27371790 QMZKBDOGFCPAKD-NRFANRHFSA-N 445.541 1.993 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)ccc21 27914727 YAPUPJMRJPBNAE-UHFFFAOYSA-N 448.932 1.677 0 40 IDAB CN1CCc2c(c(N3CCOCC3)nc3sc(C(=O)NC[C@@H]4CCCO4)c(N)c23)C1 31811448 GZNBOOXBTCGPMY-ZDUSSCGKSA-N 431.562 1.612 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)Cn1c(C)csc1=O 32726768 MAZFMTFTLZCIGH-ZDUSSCGKSA-N 441.531 1.347 0 40 IDAB NS(=O)(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1 32979967 YDIVCXMUOAVYEM-LJQANCHMSA-N 427.530 1.878 0 40 IDAB CS(=O)(=O)N1CC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)Oc2ccccc21 38850830 HRQOOAJIVKGCMA-OAQYLSRUSA-N 429.542 1.948 0 40 IDAB COc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)N3CCCC3)co2)CC1 56949772 XHAODFLJVJVIQY-UHFFFAOYSA-N 427.501 1.972 0 40 IDAB O=C(NCc1cccc(OCC(F)(F)F)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 58951936 UVXUFBPQEUGLJB-CYBMUJFWSA-N 447.435 1.409 0 40 IDAB CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NCCOC)cc1 62232383 FMRMQSQAMWYBIS-UHFFFAOYSA-N 434.514 1.817 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)cc1 67245949 FOIYWZBICMJQOH-UHFFFAOYSA-N 445.428 1.641 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 69926734 IPIXHZGPYRKEIS-FQEVSTJZSA-N 446.555 1.852 0 40 IDAB O=S1(=O)CCCCN1c1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)cc1 77200961 UMMCUIFZCZEUJA-UHFFFAOYSA-N 432.589 1.861 0 40 IDAB Cc1ccc(CN2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)o1 96056167 YLHKRVZGHATVEE-CVDCTZTESA-N 425.533 1.955 0 40 IDAB O=C(O)COc1ccccc1[C@H]1c2sc(=O)[nH]c2SC[C@@]1(CC(=O)O)C(=O)O 96318851 TUNMBHQMNWGIRW-YVEFUNNKSA-N 425.440 1.683 0 40 IDAB COc1cc([C@H]2C[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]3CCC[C@H]3O2)cc(OC)c1O 257261059 LFNVOIUEMWYSQR-WHTHIIICSA-N 440.489 1.252 0 40 IDAB CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1=O 643556534 MQSLZKZJSRLLIU-QHCPKHFHSA-N 426.517 1.895 0 40 IDAB COc1c2c(c(Br)c3c1[C@@H](CC(=O)N1CCN(C)CC1)N(C)CC3)OCO2 1547139017 YPSFUXUWPNBXAI-CYBMUJFWSA-N 440.338 1.880 0 40 IDAB biogenic CCCn1c(SCC(=O)NCc2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C 928667 FAHJDSSQXUJLEP-UHFFFAOYSA-N 431.518 1.261 0 40 IDAB O=P1(NC[C@H]2CCCO2)OCC2(CO1)COP(=O)(NC[C@H]1CCCO1)OC2 1569446 DYJYIWILVNSJEQ-GSSHDRRRSA-N 426.343 1.820 0 40 IDAB C[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)NCc1ccc2c(c1)OCO2 3302111 NBJYYQDJFFOXKR-HNNXBMFYSA-N 435.436 1.882 0 40 IDAB CCC[C@@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N 4374134 LDZDPQVNCKALJP-KGLIPLIRSA-N 437.566 1.673 0 40 IDAB Cc1nc(-c2ccc(CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)s2)cs1 8862155 SASBDNRXUGRWJQ-UHFFFAOYSA-N 430.515 1.244 0 40 IDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O 8936497 FKFGSXSMMMGELU-FQEVSTJZSA-N 430.461 1.881 0 40 IDAB O=C(NCc1ccccc1F)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1 9577625 MDEMEYOLYQPNRC-HNNXBMFYSA-N 441.506 1.057 0 40 IDAB COc1ccc(OC)c(-n2c(C)c(C)n3c4c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c4nc23)c1 9713140 RVOAJEABAYNEEW-CYBMUJFWSA-N 439.472 1.923 0 40 IDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 9797020 AJMNAXACAUWTPC-QFIPXVFZSA-N 440.525 1.808 0 40 IDAB CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](C)CSc2ncccn2)CC1 10249169 HDCOBHNUCYPCIF-CQSZACIVSA-N 429.550 1.878 0 40 IDAB C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1ccc[nH]1 12622613 DPIHNOBLJUNDCM-VFZGTOFNSA-N 435.285 1.775 0 40 IDAB NC(=O)N[C@H](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 12633364 AVPVKZYQMFODMF-CQSZACIVSA-N 441.307 1.835 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccs2)NC(=O)N[C@H]1c1ccc(C)o1 12751236 PHABMQBCEAATMK-KRWDZBQOSA-N 447.469 1.794 0 40 IDAB O=C([C@@H]1CCCN1C(=O)c1cccs1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 13128320 MSKBVOIWUWCJQK-XHSDSOJGSA-N 426.560 1.547 0 40 IDAB CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)cc1 13878823 VQVZNVBNXBWZLT-UHFFFAOYSA-N 435.419 1.773 0 40 IDAB Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1S(=O)(=O)N1CCCCCC1 16035699 ZHCSIBLDPZYQBH-UHFFFAOYSA-N 436.534 1.829 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19520469 MQNJYQLPVAVLHD-KRWDZBQOSA-N 431.518 1.240 0 40 IDAB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1 22851262 LFEZKKPDFGVIIF-GOSISDBHSA-N 428.464 1.598 0 40 IDAB NC(=O)c1cccc(CNC(=O)c2ccc(C(=O)NCc3cccc(C(N)=O)c3)cc2)c1 23133563 KVPNSXYHIRMVAP-UHFFFAOYSA-N 430.464 1.744 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc(C(=O)O)cc1)n2C 32721874 MZQJMXNROPYXCD-UHFFFAOYSA-N 444.513 1.771 0 40 IDAB COc1cc(CCNC(=O)CN(C)S(=O)(=O)c2cccnc2)ccc1OC(F)F 32916113 VCNJOBBNEVVFJM-UHFFFAOYSA-N 429.445 1.671 0 40 IDAB O=C1CCc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)ccc2N1 36397144 GYRBMSUPNOUZHB-UHFFFAOYSA-N 435.452 1.996 0 40 IDAB Cc1nc(C)c2c(C)c(C(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)sc2n1 40089307 DDEKVUUHMWEMOK-PHIMTYICSA-N 426.564 1.785 0 40 IDAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 40119092 ZAZLUWBMUHIDEM-AABGKKOBSA-N 426.941 1.728 0 40 IDAB COc1ccc2c(CC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)O)cc(=O)oc2c1 71774850 IWDXAGDGQBGZNX-ROUUACIJSA-N 444.484 1.951 0 40 IDAB in-vitro O=C([C@H](c1cccc(F)c1)N1CCOCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 72296597 CJFVKEVHTUZQMR-FQEVSTJZSA-N 448.520 1.127 0 40 IDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(N(C)CC(F)F)CC1 72308769 LTGCDRSZBCQJGC-CYBMUJFWSA-N 430.521 1.273 0 40 IDAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1cccc(-n2cnnn2)c1 77154500 HSYRKKQAUDLPIR-UHFFFAOYSA-N 431.503 1.221 0 40 IDAB O=C1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c2cc(Br)ccc2N1 89800320 VYTGONFZHGYPNN-UHFFFAOYSA-N 435.278 1.989 0 40 IDAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CCNC(=O)c2ccc(C)cc2O)cc1 95952841 LBNXSLGNIAFZDV-UHFFFAOYSA-N 441.484 1.769 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(S(N)(=O)=O)ccc21 100876653 GETCARKJLXJSGU-VZCXRCSSSA-N 447.494 1.467 0 40 IDAB CCC(COC[C@H]1COC(=O)O1)(COC[C@@H]1COC(=O)O1)COC[C@@H]1COC(=O)O1 145254578 INECIFOTGMOUMW-MCIONIFRSA-N 434.394 1.039 0 40 IDAB COC(=O)c1cc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc(C(=O)OC)c1 225401572 KHDPKRHZIALIHO-QGZVFWFLSA-N 434.470 1.831 0 40 IDAB COCCN1CC2(CCN(Cc3ccncc3F)CC2)Oc2ncccc2S1(=O)=O 306137684 RDCAWRUXCSRXKU-UHFFFAOYSA-N 436.509 1.680 0 40 IDAB Cc1ccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C5CCOCC5)[C@H]4C3)CC2)cc1 585284503 SRURFNBTFUJMQB-VXKWHMMOSA-N 429.561 1.417 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cnn1-c1ccc(Cl)cc1 608020135 LYSOUDHHSYFNBG-CQSZACIVSA-N 432.955 1.536 0 40 IDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccccc5S(C)(=O)=O)C[C@@H]4C3)nn12 1888906553 NNMREXKXXRVORG-GJZGRUSLSA-N 426.502 1.045 0 40 IDAB COc1ccc2nnc(C3CCN(S(=O)(=O)c4ccc(-n5cccn5)cc4)CC3)n2n1 1888960416 AQTUBLLHJWDWLC-UHFFFAOYSA-N 439.501 1.887 0 40 IDAB O=C(Nc1ccc(F)c(F)c1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243288 XZWUOXFXYLUQHU-ZDUSSCGKSA-N 430.408 1.401 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007707 MBRMJTMLVNRJGF-UHFFFAOYSA-N 449.463 1.728 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(CO)cc2)sc(C(=O)NC)c1C 3523339 RFZJGLPADIWBQK-UHFFFAOYSA-N 434.470 1.881 0 40 IDAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 9779695 AIFFOGYJHBWJJU-ZDUSSCGKSA-N 440.319 1.337 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C2=O 9982161 JUQNTOPVXXTLDZ-DGIBIBHMSA-N 426.395 1.659 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)s1 10783165 SHVKBWILHFDOQM-UHFFFAOYSA-N 435.571 1.874 0 40 IDAB CCCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(=O)n(C)c(=O)n(C)c21 11796848 CIPLCSKYTWEXEP-UHFFFAOYSA-N 439.516 1.420 0 40 IDAB C[C@H](C(=O)NCCc1cccs1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12746372 JUKDBWRKTNOOKE-UZLBHIALSA-N 429.542 1.780 0 40 IDAB C[C@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12813692 QUHNOSBCKUUOQN-SWLSCSKDSA-N 430.910 1.037 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccccc1 12852149 NLKSAXQMHCZOTI-UHFFFAOYSA-N 437.468 1.618 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(-n2cnnn2)cc1 12994418 XOKXHMAALDFQOZ-KRWDZBQOSA-N 429.506 1.107 0 40 IDAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)c1cccc(N2CCCC2=O)c1 12997735 UJWPORVHFFBNMA-AWEZNQCLSA-N 448.570 1.894 0 40 IDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 14901339 PLJGRTKDYLEEBN-ZNMIVQPWSA-N 439.534 1.744 0 40 IDAB Cc1nn(CC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1S(=O)(=O)N1CCOCC1 15573652 MNQZEZWGPGIYBN-LJQANCHMSA-N 432.546 1.715 0 40 IDAB COc1cc(-c2nnc(SCC(=O)O[C@H]3CCS(=O)(=O)C3)o2)cc(OC)c1OC 15850542 HEPRBZXKFKFQPF-NSHDSACASA-N 444.487 1.585 0 40 IDAB O=C(Cn1nnc2ccccc21)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 19376711 YJBIPCNSVLEOEH-FQEVSTJZSA-N 426.502 1.400 0 40 IDAB CC(=O)N1C[C@H](c2ccc(CN(C)C(=O)C3CN(Cc4ccccc4)C3)cc2)[C@@H](C(N)=O)C1 19698775 FRJCYXKLUXESEQ-RPWUZVMVSA-N 448.567 1.824 0 40 IDAB COc1ccccc1N1CCN(C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)CC1 22230713 VLEPXKMTYUZLFA-UHFFFAOYSA-N 433.530 1.819 0 40 IDAB COc1ccc(C(=O)N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)CC2)cc1 23056880 MRGVRJFKVOQKTP-QMHKHESXSA-N 442.516 1.480 0 40 IDAB COc1cc(OC)cc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)c1 23134740 BDXYGFYCBFSIQR-UHFFFAOYSA-N 444.442 1.916 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc(N)s2)c1 28645896 XYORIWJSIANQMJ-UHFFFAOYSA-N 431.565 1.890 0 40 IDAB CN(c1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 31772906 VVUVDUPDIOYOFR-QGZVFWFLSA-N 429.541 1.473 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N[C@H]1CCCCNC1=O 32913422 YCKBAVJFUVOCJB-HNNXBMFYSA-N 425.327 1.413 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cc1 35598181 RNGYBHBOJAOJMF-UHFFFAOYSA-N 441.517 1.440 0 40 IDAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 36708272 IHLDDHCECZBUSC-UHFFFAOYSA-N 439.541 1.977 0 40 IDAB O=C(Cn1ccc2ccc(Br)cc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 61718184 PZQHROQHKBVWRB-MRXNPFEDSA-N 440.363 1.735 0 40 IDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)CCN[C@@H]3C=CS(=O)(=O)C3)C2)C1 72334223 NTNGPNBIOSLLTB-KNQAVFIVSA-N 447.557 1.079 0 40 IDAB CN(C)[C@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccco1 77200672 DOICFYFDVPUMJF-QGZVFWFLSA-N 427.548 1.791 0 40 IDAB CCNC(=O)C(C)(C)CNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 84789453 QMKNVQRNHINEQM-UHFFFAOYSA-N 425.551 1.808 0 40 IDAB C[C@@H](Cc1ncc[nH]1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 95450375 SKFMXSZLYVYIPB-AWEZNQCLSA-N 426.926 1.544 0 40 IDAB CCN(CCC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)CC1CC1 95457698 BWKLGOIUCAECRP-UHFFFAOYSA-N 429.608 1.857 0 40 IDAB CC(C)(C)OC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 101687135 WOCKKTAXMOZQBH-SFHVURJKSA-N 440.378 1.819 0 40 IDAB CC(C)[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@H](n4cnc5ccccc5c4=O)C(=O)N1[C@@H]23 514288076 NBKVRNRJWWLJKF-PLXZFBFJSA-N 430.464 1.769 0 40 IDAB biogenic,in-vitro CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)N3CCNC(=O)C3)c2C1 643575475 KLLVXJMAKAZVAM-UHFFFAOYSA-N 444.576 1.786 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4cc(F)cc(F)c4)C[C@H]23)n1 1549161250 GDIFIBMSCALQGA-INIZCTEOSA-N 430.415 1.991 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5cc(F)ccc5OC)C[C@@H]4C3)nn12 1888941733 DQDVUOWCCCYLFM-KBPBESRZSA-N 446.508 1.591 0 40 IDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 2037880235 WDRLTSAETSYFPJ-OAQYLSRUSA-N 447.511 1.313 0 40 IDAB CCOc1ccc(-n2c(O)c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c(=O)[nH]c2=O)cc1 2145177 PITRTVIPSFZHBI-KRWDZBQOSA-N 440.408 1.907 0 40 IDAB biogenic Cc1ccc(OC[C@@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1C 7425768 OPRQIQNIFGUQCY-INIZCTEOSA-N 429.521 1.938 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cnc3ccccc3n2)c(=O)[nH]c1=O 9245361 ZLJBYKCPQCIMIU-UHFFFAOYSA-N 446.467 1.555 0 40 IDAB COc1ccc(NC(=O)c2cccc(NC(C)=O)c2)cc1S(=O)(=O)N1CCOCC1 9508404 SHYYPUYJRGODHB-UHFFFAOYSA-N 433.486 1.927 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2nnc3n2CCN3c2ccc(OC)cc2)CC1 9574020 QJVWUFWBAMXLBC-UHFFFAOYSA-N 446.533 1.831 0 40 IDAB Cc1ccc(C2=NN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@@H](c3ccco3)C2)cc1 9798442 ZBRSDUCZGKIEHI-QGZVFWFLSA-N 446.467 1.713 0 40 IDAB C[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9799554 UFBKLWFPYAHLCL-OAHLLOKOSA-N 442.501 1.853 0 40 IDAB CCOCCCNC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 10219923 WVUNQCOHPRLAGK-UHFFFAOYSA-N 440.909 1.435 0 40 IDAB COc1cc(OC)c(C2=CCN(CC(=O)NCCCN3CCCC3=O)CC2)c(OC)c1 11064661 RUPZQUDAQMBHQN-UHFFFAOYSA-N 431.533 1.930 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@@H](C)C(=O)N2CCOCC2)C(C)C)cc1C 12908702 ZHXVOTQWBQYHQA-WMZOPIPTSA-N 426.535 1.397 0 40 IDAB COCCOC(=O)c1c(NC(=O)CNCc2ccc(OC)cc2)sc(C(N)=O)c1C 14066288 YBBRRAMUOKZJIL-UHFFFAOYSA-N 435.502 1.696 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1 14244986 XNHGMLQOJPWNTH-UHFFFAOYSA-N 435.502 1.780 0 40 IDAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N1 14606997 WDJLYPNBLANHDL-IBGZPJMESA-N 449.511 1.725 0 40 IDAB COc1c(C)cnc2c1c(=O)n(CC(=O)N1CCC(Cc3ccccc3)CC1)c(=O)n2C 15880262 KHJVKTASFJKUJE-UHFFFAOYSA-N 436.512 1.894 0 40 IDAB CCCn1ncc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CC3)C4)C2)c1C 19525856 UPTKCRQGXRVQHQ-MRXNPFEDSA-N 438.532 1.609 0 40 IDAB CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)CC1 19527811 YPPJVYZWZNXDKK-UHFFFAOYSA-N 429.970 1.913 0 40 IDAB Cc1cnc(C(=O)N2CCC[C@H]2c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)cn1 19743595 CPBLRXUVBGERMY-AWEZNQCLSA-N 448.405 1.727 0 40 IDAB Cc1nc([C@@H]2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)C2)ncc1C(N)=O 19757828 HXGBLLDXGUIFBW-GFCCVEGCSA-N 436.438 1.994 0 40 IDAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)NC[C@@H]2CCCO2)s1 20486129 RVELTOKXBAMYBM-UONOGXRCSA-N 426.520 1.792 0 40 IDAB c1ccc([C@H]2N=C3NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)nc1 20567796 FVOLKPQFOHSUDI-NRFANRHFSA-N 432.532 1.697 0 40 IDAB Cc1ccc(NC(=O)CN(C)C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 23030559 RKKDUHGYYQKZKW-UHFFFAOYSA-N 446.529 1.072 0 40 IDAB COc1ccc([C@H](CC(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)NC(C)=O)cc1 23059183 UUEYYBZPOMJNGR-SFHVURJKSA-N 449.467 1.901 0 40 IDAB Cc1ccccc1OCC(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134766 IBQMSZCSDUAUFE-UHFFFAOYSA-N 428.443 1.972 0 40 IDAB CN(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccs1 25436658 ZACHHHWKAARCLU-KRWDZBQOSA-N 441.550 1.941 0 40 IDAB NS(=O)(=O)c1cccc(NC(=O)CN2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 26728128 UDRCGRVDAHYLDK-UHFFFAOYSA-N 442.497 1.477 0 40 IDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)C1 29741163 LRPYFJKYLVKVHC-CQSZACIVSA-N 428.507 1.903 0 40 IDAB O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 56997924 BDRGRDCSACGMSV-UHFFFAOYSA-N 444.919 1.988 0 40 IDAB Cc1ccc(C)c(Cn2c(NCCNC(=O)C(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 57681232 MKGPOLAAGXVTDX-UHFFFAOYSA-N 426.521 1.283 0 40 IDAB CC(=O)Nc1ccc(N(C[C@H](O)CN2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 95117128 XRAFGHLXLCOZHS-OAQYLSRUSA-N 447.557 1.842 0 40 IDAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cnn(CC(F)(F)F)c1 95960236 SYBAUBSWYFEYOX-UHFFFAOYSA-N 438.453 1.709 0 40 IDAB O=C(CN1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1)NCc1ccccc1OC(F)(F)F 95962959 NHUKGOHGSNAZIM-MRXNPFEDSA-N 449.495 1.443 0 40 IDAB COc1ccc(CN2CCC(NC(=O)Cn3nc4c(cc3=O)CCCC4)CC2)cc1OC 96344581 MFFBEBZVQRZDCD-UHFFFAOYSA-N 440.544 1.920 0 40 IDAB COc1cccc(-c2noc(CNC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)n2)c1 219270411 LFMCIJKCUJQHSA-QGZVFWFLSA-N 444.469 1.589 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222814029 BMVASONXMTXHQG-QGZVFWFLSA-N 447.557 1.787 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c2ccccc2O1 222910462 LKNFLHQXVIKQHY-KRWDZBQOSA-N 434.470 1.526 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)s1 225690944 VPVNVPKAJBTNPO-UHFFFAOYSA-N 448.523 1.343 0 40 IDAB Cc1cc(C)n(CCC(=O)NCc2cccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)c2)c(=O)n1 257267918 MJKPOVXVVACVPG-JBACZVJFSA-N 439.516 1.673 0 40 IDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 575426768 ZMUZSQFBVXAXTG-QWHCGFSZSA-N 437.923 1.395 0 40 IDAB CCC(COC[C@H]1COC(=O)O1)(COC[C@H]1COC(=O)O1)COC[C@H]1COC(=O)O1 627276223 INECIFOTGMOUMW-IHRRRGAJSA-N 434.394 1.039 0 40 IDAB Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC(COc3ccc4nccn4n3)CC1)CS2 1888906684 NKKGWZFHUBCZKA-INIZCTEOSA-N 440.529 1.949 0 40 IDAB CCOC(=O)c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCOC)c(=O)n(C)c4nc23)cc1 8708909 DEVSFOQLSVNJPB-UHFFFAOYSA-N 439.472 1.579 0 40 IDAB COc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)cc1 8710211 DYWWSDZELRDUSN-UHFFFAOYSA-N 438.532 1.933 0 40 IDAB COc1cc(OC)cc(C(=O)NCCC(=O)N2CCC3(CC2)NCCc2[nH]cnc23)c1 8764663 IVHLHVAMIOOUPC-UHFFFAOYSA-N 427.505 1.210 0 40 IDAB biogenic O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCC(=O)N1CCC[C@@H]1C(=O)O 8917758 MYEBSGLHYINPDK-QGZVFWFLSA-N 428.441 1.242 0 40 IDAB biogenic CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccncc1 8971021 UTOOWVLLAXVFOA-IERDGZPVSA-N 438.484 1.620 0 40 IDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C(=O)c3cccs3)CC1)C2=O 9909672 KZVKWNKFHSCZPY-UHFFFAOYSA-N 432.546 1.923 0 40 IDAB COc1ccc(OCCOC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 9963669 XMDMXCTXSDIYHI-AWEZNQCLSA-N 436.486 1.943 0 40 IDAB Cc1cccc(NC(=O)CNC(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1C 10608422 XHVTWYMXVAOEHU-UHFFFAOYSA-N 439.390 1.782 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cc(=O)c2ccccc2o1 11027485 XGUQPACAEHYUOB-UHFFFAOYSA-N 442.497 1.070 0 40 IDAB COc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1 13073839 WYKZPLPVUKKLLG-UHFFFAOYSA-N 446.529 1.281 0 40 IDAB NS(=O)(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)sc2c1 15391504 JFAOLMHFWPMKBZ-UHFFFAOYSA-N 443.503 1.885 0 40 IDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 17360601 IEZSJSKWSQXHFN-UHFFFAOYSA-N 447.469 1.274 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)[C@H]3CC34CCC4)C1)C2=O 19699603 POKVSEBHNJILJD-DLBZAZTESA-N 430.549 1.737 0 40 IDAB COC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 20005725 YUMDHBOPGDILGI-MAUKXSAKSA-N 436.530 1.745 0 40 IDAB C[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O 23718431 MEMZUXMOWGEJIO-INIZCTEOSA-N 432.955 1.386 0 40 IDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 23731427 KVILZQGLHKSWRT-FQEVSTJZSA-N 430.480 1.956 0 40 IDAB O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 23797697 KQTXKUFFRISJTE-UXHICEINSA-N 437.452 1.287 0 40 IDAB CCN(CC(=O)N1CCN(c2ncccn2)CC1)Cc1nc(O)c2ccc(Cl)cc2n1 24573158 UMBDDJMZXNYKHN-UHFFFAOYSA-N 441.923 1.950 0 40 IDAB O=C(/C=C/c1ccco1)NCCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 32815159 NQPBSAYHEOXNSG-BQYQJAHWSA-N 447.513 1.136 0 40 IDAB O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NC(=O)NCc1ccco1 34878673 UCAUFTLUBFRUPJ-RIYZIHGNSA-N 432.502 1.224 0 40 IDAB CC(C)CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 40002608 HQSNKALIHSJOSX-GFCCVEGCSA-N 438.413 1.978 0 40 IDAB O=C(c1cnc2ccccn2c1=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 40040315 LPRWPIPWRZEETG-UHFFFAOYSA-N 438.918 1.556 0 40 IDAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc1 43961666 JMSAWTJJPYNMDE-UHFFFAOYSA-N 443.591 1.764 0 40 IDAB Cc1oc(C(=O)NCc2ccccc2Cn2cncn2)cc1S(=O)(=O)N1CCCC1 48325273 LIUBVIKJJVNZQA-UHFFFAOYSA-N 429.502 1.942 0 40 IDAB O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)Nc1nncs1 71283785 SYYZGHPEINGTRL-UHFFFAOYSA-N 431.909 1.714 0 40 IDAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@@H](c4ccnc5ncnn45)C3)ccc21 72334872 CLNVOMMGYKKEFI-MRXNPFEDSA-N 426.502 1.466 0 40 IDAB CCN1CCN(C(=O)[C@H]2CCC(=O)NC(=O)N2)[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 72351808 FEZCDAONZYVXBA-RTWAWAEBSA-N 448.523 1.944 0 40 IDAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 84637074 JSDDLXGXAQHGDV-QRWLVFNGSA-N 433.530 1.413 0 40 IDAB CC[C@H](C(=O)Nc1cnn(C[C@@H](O)CN(C)OC)c1)n1nnc(-c2ccc(Cl)cc2)n1 95456514 CQBKTHVVZNIWPF-DLBZAZTESA-N 448.915 1.634 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2[C@@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)CC1 100145677 DORAVVYVCNDACL-RTBURBONSA-N 446.573 1.592 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cc(S(N)(=O)=O)ccc21 100876692 JWPARFFZOAMBIF-VZCXRCSSSA-N 433.511 1.881 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 101174284 VTCXGOMCZWQORZ-ZWKOTPCHSA-N 439.403 1.934 0 40 IDAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCSc1ncn[nH]1 222676796 DEAFMSVOBNZCKQ-UHFFFAOYSA-N 433.515 1.893 0 40 IDAB Cn1nccc1C(=O)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2C1 306124808 CAASOFGIAMKYCM-ROUUACIJSA-N 439.497 1.292 0 40 IDAB CC(C)NC(=O)N1CC[C@@]2(CCn3cc(C(=O)NCc4ccc(F)cc4)c(=O)nc32)C1 306126251 DQVIWUGQYVCMMN-QFIPXVFZSA-N 427.480 1.778 0 40 IDAB Cn1ccc(C(=O)N2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@@H]3C2)n1 306133712 MTLZEXAFEGBPJF-MSOLQXFVSA-N 439.497 1.292 0 40 IDAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O 409251110 OKEMVVFAEUATGZ-XNTDXEJSSA-N 435.440 1.417 0 40 IDAB CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@@H](n3cnc4ccccc4c3=O)C2)s1 575618212 UGDLVIQMDUMFEM-CYBMUJFWSA-N 433.515 1.837 0 40 IDAB COc1cc2ncn([C@@H]3[C@@H](O)[C@H](NCc4ccncc4F)[C@H]4CO[C@@H]3O4)c2cc1OC 952844921 TXYXPHFMCSBBCW-SSSFQFABSA-N 430.436 1.403 0 40 IDAB biogenic,in-vitro CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)c1 1630032283 ZJHDSZSIRRUEGS-SFHVURJKSA-N 444.513 1.257 0 40 IDAB CCCC1=C(C(=O)OCC)[C@]2(C(=O)Nc3ccccc32)C(C(=O)OCCOC)=C(N)O1 2056380 BRBHFNFUDHOLRG-QFIPXVFZSA-N 430.457 1.884 0 40 IDAB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1C 3245384 LCXSZAWUOSKPNH-UHFFFAOYSA-N 431.445 1.543 0 40 IDAB COc1cc2c(cc1OC)CN(c1ccc(S(=O)(=O)N3CCN(C)CC3)cn1)CC2 3457231 QTSXPUZWPPVNDA-UHFFFAOYSA-N 432.546 1.598 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2)cc1 6499041 QXPDDJLKCHUTBD-WMZOPIPTSA-N 437.562 1.196 0 40 IDAB CCOC(=O)CNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(OC)cc1 6546484 UQIKQSMBRXTTNC-YVLHZVERSA-N 426.425 1.874 0 40 IDAB CNC(=O)[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c2ccccc2O1 8861003 YQLFBLVRFUKTEE-QGZVFWFLSA-N 449.554 1.615 0 40 IDAB CCCN(C(=O)CSc1nnc(N)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9441868 BLHOWUKAOHGSNI-UHFFFAOYSA-N 447.546 1.136 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2F)cc1 9806873 HXDMJTCWKJMPLD-MRXNPFEDSA-N 449.504 1.420 0 40 IDAB C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9871269 ZCMOBKKHIXZBRF-VHSXEESVSA-N 437.503 1.336 0 40 IDAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCc2c(sc3ncnc(N)c23)C1 12605993 XMGBAEIVRZSYBP-UHFFFAOYSA-N 446.558 1.595 0 40 IDAB O=C(CSc1nnc2n1CCCCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1 12981939 PIHKSMMSQHDZSK-UHFFFAOYSA-N 435.575 1.630 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)c1C 13100626 XBSSAZBFTDEIQQ-GFCCVEGCSA-N 447.469 1.271 0 40 IDAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)Cc1ccc(Cl)c(Cl)c1 13566735 XGBYALLGPMCHFZ-UHFFFAOYSA-N 438.377 1.594 0 40 IDAB O=C(NCCN1CCN(C(=O)COc2ccc(Br)cc2)CC1)c1ccccn1 13956853 JDHKICHASGHCEV-UHFFFAOYSA-N 447.333 1.797 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 14239225 FAERPQIMQZYLND-BFYDXBDKSA-N 438.546 1.994 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)NCc3ccco3)CC1)CNC2=O 19562800 YXUHAAPPDIZSMX-JOCHJYFZSA-N 427.457 1.478 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)CCn3ccnc3C)CC1)C2=O 19700666 MLQKUZPAYRSDGQ-UHFFFAOYSA-N 444.580 1.617 0 40 IDAB Cc1c([C@H](C)NC(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)cnn1C 19751639 QHTJMGGRTNGOOX-AWEZNQCLSA-N 425.464 1.837 0 40 IDAB Cc1ccc(C)c(Cn2c(CN3C[C@H](C)O[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 20235275 BOKBJZBKPBOLMX-IRXDYDNUSA-N 425.533 1.708 0 40 IDAB COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)ccc1OCC(N)=O 21322902 LYTAZKURMFLNIB-GOSISDBHSA-N 431.464 1.502 0 40 IDAB CC(C)CNC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 21873373 WQGUYFOBXWEWFN-SFHVURJKSA-N 425.551 1.234 0 40 IDAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(CN3CCOCC3)cs2)cc1C 22701321 JATIKTZADYBABU-UHFFFAOYSA-N 438.575 1.899 0 40 IDAB COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 56997593 DRFLHJRKGRLDRU-UHFFFAOYSA-N 433.530 1.567 0 40 IDAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)N(C)C)cc1 61721083 JGKJBXKPKNJEKL-IBGZPJMESA-N 425.489 1.243 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@H](c1cccs1)N1CCOCC1)C2=O 68783151 OMBTXRBPJZOEOW-XFQAVAEZSA-N 434.562 1.738 0 40 IDAB CC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CCS1 72305284 GNLLWXJLTHKOGU-GOSISDBHSA-N 439.603 1.550 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 72334481 YWIIGFOOFJEYHX-WZOHSFFVSA-N 434.540 1.784 0 40 IDAB COc1ccc(-c2noc(CCN3CCN([C@H]4CCS(=O)(=O)C4)CC3)n2)cc1OC 72404423 DFKCSGRCAROIQC-INIZCTEOSA-N 436.534 1.101 0 40 IDAB COc1ccccc1[C@H](O)Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 77197257 SHDVZMNZMORQMT-QGZVFWFLSA-N 431.493 1.713 0 40 IDAB CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)c1 78869751 WEDOYSWSBAYALK-QGZVFWFLSA-N 433.578 1.642 0 40 IDAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cccc(-c3nnn(C)n3)c1)C=C2 95472864 VKXKFCODLJBOCN-UHFFFAOYSA-N 434.456 1.888 0 40 IDAB O=C(CCc1nnc2ccccn2c1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 96231066 IXSMNJPOCAOLQV-UHFFFAOYSA-N 432.406 1.785 0 40 IDAB COc1ccc(S(=O)(=O)N2CCc3nc(N4CCOCC4)nc(N(C)C)c3CC2)cc1 96254927 HOLIEDDQMJDJBM-UHFFFAOYSA-N 447.561 1.177 0 40 IDAB CCOCCCN1C[C@@H](C(=O)N2[C@@H]3CC[C@@H]2Cn2c(nc4ccccc4c2=O)C3)CC1=O 100119477 PZSBIVAHCRRGMO-RCCFBDPRSA-N 438.528 1.587 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 102276551 PQMKZDYILXCIJA-QDMVCWPOSA-N 447.491 1.589 0 40 IDAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-n2cnnc2)c1C 223644012 PDDVYKKRNMYARF-RTBURBONSA-N 425.518 1.938 0 40 IDAB CCS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2 225257346 NSUHAVDBYJOXGN-OAHLLOKOSA-N 434.470 1.528 0 40 IDAB CNc1nc([C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)nc2c1CCN(C)C2 257325468 WTAQYIWDRBJGOP-GOSISDBHSA-N 436.560 1.973 0 40 IDAB COc1ccc(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)c(OC)c1 260899266 KRFVWQWJJGJKNW-HNNXBMFYSA-N 436.486 1.426 0 40 IDAB C[C@@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)C(=O)N1CCS(=O)(=O)CC1 510814889 PCKHCYJWRXYCPT-OAHLLOKOSA-N 429.498 1.314 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 585283200 QZYPKRZCMHPBDQ-NRFANRHFSA-N 444.475 1.390 0 40 IDAB O=C(NCCOc1cccc(C(F)(F)F)c1)C1CN(c2cc(-n3cncn3)ncn2)C1 585358678 RVAIRLPIPJUGQH-UHFFFAOYSA-N 433.394 1.708 0 40 IDAB CC(=O)N1CCN(Cc2ccccn2)CC=CCOC[C@H](O)[C@H](O)[C@@H](OCCC(C)C)C1 1615158010 DMDCCFIOYKZBRU-HJOGWXRNSA-N 449.592 1.472 0 40 IDAB CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc4c(c3)OCO4)C2)c1 814401 YUCKXMVIWVZZQU-MRXNPFEDSA-N 437.499 1.898 0 40 IDAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(Br)cc2)c(=O)n(C)c1=O 2635699 RILGQTKSCSDDKC-UHFFFAOYSA-N 438.278 1.587 0 40 IDAB CN(C)CCCNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 3218304 MEYDBDNAFYKHCS-UHFFFAOYSA-N 434.356 1.152 0 40 IDAB CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N(C)C 5542181 GRETYSXPUXVOFK-HUUCEWRRSA-N 446.614 1.368 0 40 IDAB O=C(O)[C@H]1[C@@H](C(=O)O)C2(c3ccccc3)NC1(c1ccccc1)[C@@H](C(=O)O)[C@H]2C(=O)O 8386438 SLHKTTWYLPUJLM-XWOPMXEGSA-N 425.393 1.197 0 40 IDAB CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2cccs2)cc1 8880276 CFDGTTRIIHSTAG-UHFFFAOYSA-N 426.516 1.675 0 40 IDAB CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C)C(=O)NCc2ccc(C)cc2)CC1 8952572 VCVPITPTMAJNHQ-APWZRJJASA-N 434.606 1.435 0 40 IDAB biogenic CC(=O)c1cccc(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)c1 9001237 KSGZPKUBGLPQPL-UHFFFAOYSA-N 429.436 1.843 0 40 IDAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1ccccc1 9302711 LQBINWLDVQPMCD-IBGZPJMESA-N 429.542 1.910 0 40 IDAB CCN1C(=O)[C@H](NC(=O)C(=O)NCCN2CCCCC2)c2cc(Br)ccc21 9306011 NUNFOIFXPKDXKZ-MRXNPFEDSA-N 437.338 1.575 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)NC(C)C)CC2)cc1 9435799 WPISCJRMSUVZSO-UHFFFAOYSA-N 438.550 1.077 0 40 IDAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)n1 9530460 IPZWPRZOQGQISI-UHFFFAOYSA-N 441.849 1.749 0 40 IDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9762551 UWRSMHYKYWQDQM-ICSRJNTNSA-N 438.553 1.991 0 40 IDAB Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1CCOCCO 10233371 XKPNGSOJICKDGM-UHFFFAOYSA-N 449.870 1.308 0 40 IDAB COc1ccc(CC(=O)NCCS(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 10705472 PJQBHMSSZXSYAA-UHFFFAOYSA-N 448.541 1.759 0 40 IDAB COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2c[nH]nc2-c2ccncc2)CC1 12087924 HZNRHUMFMOQIQC-UHFFFAOYSA-N 441.513 1.556 0 40 IDAB Cc1nc2oc3c(=O)n(CC(=O)NC[C@H]4CCCO4)cnc3c2c2c1COC(C)(C)C2 12324329 SZZLDSWGBXCEBX-CYBMUJFWSA-N 426.473 1.993 0 40 IDAB Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc1 12376394 GZBWIJWWJQMZDW-INIZCTEOSA-N 428.392 1.558 0 40 IDAB COc1ccc(CC(=O)N[C@H](C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 12420666 VZOUIASPPBZZIX-FQEVSTJZSA-N 432.498 1.013 0 40 IDAB CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2)CC1)C(=O)O 12887253 BIRWOOLCRFITRA-JQHSSLGASA-N 433.574 1.825 0 40 IDAB biogenic COc1ccccc1CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1 13371862 SKRJLEZOUDTSLB-ICSRJNTNSA-N 441.546 1.914 0 40 IDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 14014816 GPHJKPMMUKOSSA-UHFFFAOYSA-N 431.470 1.568 0 40 IDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 16050818 YDOKUENNWPQLGS-CQSZACIVSA-N 440.481 1.293 0 40 IDAB CCS(=O)(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCOCC1)CC3 19520321 PUVHUHSXQYGESU-GOSISDBHSA-N 435.550 1.459 0 40 IDAB COc1ccc(OC)c([C@@H]2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)N(C)S(=O)(=O)N2)c1 19590893 BNSFODSVJYVSFK-JKSUJKDBSA-N 449.485 1.651 0 40 IDAB COc1ccc(C)cc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22229220 OJUOHWDJOMAVBC-UHFFFAOYSA-N 447.513 1.279 0 40 IDAB CN(C)c1nc(N)nc(COC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 32848642 NZSWPDPOFQWVHX-CYBMUJFWSA-N 440.913 1.070 0 40 IDAB O=C(CN1CCN(C(=O)CSc2nnnn2C2CCCC2)CC1)Nc1cccc(F)c1 35336401 LIFTYMWFRRTKQS-UHFFFAOYSA-N 447.540 1.802 0 40 IDAB O=C1N[C@H](C(=O)N2CCN(Cc3ccncc3)CC2)CS[C@@H]1Cc1ccccc1F 40087826 XOUVRXOLIIZPFC-VQTJNVASSA-N 428.533 1.708 0 40 IDAB COc1ccc(CNC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)cc1 49409178 TVXXZYJLDUIPMT-UHFFFAOYSA-N 433.530 1.594 0 40 IDAB COCc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(N2CCOCC2)n1 67219748 AXOYJDAOBBUHDE-UHFFFAOYSA-N 426.395 1.884 0 40 IDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(c2n[nH]c(C3CC3)n2)CC1 69947089 WTWIXWZXQAMRMS-ZDUSSCGKSA-N 444.561 1.487 0 40 IDAB CCc1cccc(C)c1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 83827670 VPGYPKMVVWHWBJ-MRXNPFEDSA-N 429.564 1.224 0 40 IDAB CCN(CC(=O)NC(C)C)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 84765457 UCPKRRLMAADBKX-SFHVURJKSA-N 425.551 1.964 0 40 IDAB CCS(=O)(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1csc(C)n1 96143222 XIIMFGWCIGPXJK-KRWDZBQOSA-N 427.573 1.907 0 40 IDAB CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(S(=O)(=O)CC(C)C)CC2 96263286 OUGXJRAYUPGTJG-UHFFFAOYSA-N 434.566 1.423 0 40 IDAB NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNS(=O)(=O)N2CCOCC2)CC1 100688355 YXZZGPWLCCGOEC-OKILXGFUSA-N 438.575 1.836 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)N2C(=O)NC2CCCCC2)cc1 100752677 IZGQQWDGQNSUSK-QRFRQXIXSA-N 448.589 1.888 0 40 IDAB CCOc1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 100876787 GTSKCENFICWSBX-VZCXRCSSSA-N 449.510 1.663 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 101357463 BUQHFGFRUJETAR-DBHNTLKXSA-N 443.408 1.129 0 40 IDAB biogenic Cc1nc2cc([C@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)N1CCN(C)CC1 257227671 FQJHXDCTQROXQJ-IBGZPJMESA-N 438.576 1.779 0 40 IDAB CN1CCCN([C@H]2CCN(Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]2O)CC1 257286177 PKPCNSVGHBQDFG-VXKWHMMOSA-N 446.636 1.811 0 40 IDAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 575423465 FJHPPLVFEWGKDY-VXGBXAGGSA-N 431.319 1.183 0 40 IDAB CCN1CCN(c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 2037850003 GFNOXZZPDVJBLB-OAQYLSRUSA-N 444.557 1.994 0 40 IDAB CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)/C=C/c2cccs2)CC3)C1=O 2055795989 GCUVTFBMWXWVDT-XJDXJNMNSA-N 437.587 1.494 0 40 IDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(NC[C@@H]3CCCO3)nc(N3CCCC3)n2)C1 1440845 DTMVUOWUEBKXAB-KSZLIROESA-N 437.548 1.848 0 40 IDAB Cn1c(=O)c(C(=O)CSc2nnnn2-c2ccccc2)c(N)n(Cc2ccccc2)c1=O 3350882 BVYGANSUXNSSOR-UHFFFAOYSA-N 449.496 1.128 0 40 IDAB C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2 4217460 FMMDBLMCSDRUPA-BPUTZDHNSA-N 438.571 1.912 0 40 IDAB in-man Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H]4CS(=O)(=O)C[C@@H]4O)c(C)c3cc2c1C 8765225 CWLPYTGPRICPQL-SJORKVTESA-N 433.482 1.671 0 40 IDAB biogenic Cc1c(NC(=O)[C@@H](C)Sc2nnnn2C[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 9316714 PHFPZEGJXCMZIY-ZBFHGGJFSA-N 443.533 1.769 0 40 IDAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 9450236 NOKJVMXWDMWPBJ-GOEBONIOSA-N 439.468 1.598 0 40 IDAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9477758 YHHSKENGDSAZDS-QGZVFWFLSA-N 431.445 1.863 0 40 IDAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCCC1 9487694 HYZPEQYNNJBXSX-IERDGZPVSA-N 429.517 1.964 0 40 IDAB CCOCCn1c(N2CCN(Cc3cc(C)ccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C 9714565 IFUCENPVNOUQGY-UHFFFAOYSA-N 440.548 1.399 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)nc1N 9987201 PPSWWNUDDRGANC-LBPRGKRZSA-N 430.486 1.849 0 40 IDAB COc1cc(NC(=O)[C@H]2C[C@@H](c3cccs3)NS(=O)(=O)N2C)cc(OC)c1OC 12159673 MJVYQNMIVIKSFW-QWHCGFSZSA-N 441.531 1.992 0 40 IDAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)C[C@@H]2CCCO2)CC1 12229910 UNHABJXVCQNVLW-KRWDZBQOSA-N 431.518 1.249 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc4ccccn34)CC2)cc1 12377640 ISUQGZRFMNOCGW-UHFFFAOYSA-N 431.543 1.663 0 40 IDAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)c(OC)c1 12408509 BUWZEEBBALDTOF-ZDUSSCGKSA-N 427.461 1.842 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cccnc3)CC2)cc1 12528577 GSHQNGCAJIDXLD-UHFFFAOYSA-N 432.502 1.474 0 40 IDAB CCOCCCN(CC(=O)NC1CCCC1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 12645413 VYVIAUDWQRXQGZ-UHFFFAOYSA-N 433.505 1.710 0 40 IDAB CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 12757399 MSEKKYULZYXAKB-GOSISDBHSA-N 443.591 1.541 0 40 IDAB CCOC(=O)C1=C(COC(=O)c2nc3nccc(C)n3n2)NC(=O)N[C@H]1c1ccccc1 12859081 JKADQOAAKDTKEL-INIZCTEOSA-N 436.428 1.461 0 40 IDAB COCc1ccccc1CNC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 12981179 NPXIFWCUWDSVOM-UHFFFAOYSA-N 433.530 1.853 0 40 IDAB O=S(=O)(c1cccc(F)c1)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 13104887 HFMRNEVIIFLMFB-UHFFFAOYSA-N 430.387 1.793 0 40 IDAB COc1ccc(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@]23C(=O)Nc2c(Cl)cccc23)cc1 13606955 YUZGFZDLRUCOLB-MEELVIRWSA-N 428.876 1.988 0 40 IDAB O=C(NCc1ccccn1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 17204081 RSRXIAPTYGDZOE-SFHVURJKSA-N 431.445 1.761 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccccc1OC 18156317 SJESSGVYNYILGY-VQTJNVASSA-N 437.500 1.619 0 40 IDAB C[C@@H](C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2)c1ccccc1 19459254 LUDXLEOTOURZKA-KDOFPFPSSA-N 430.530 1.555 0 40 IDAB COc1ccc2c(c1)C(=O)N(CC(=O)N1CCCCC1)C[C@@]1(CCC(=O)N(C)CC1)O2 19588461 CBWZCYWXZMHJGR-QHCPKHFHSA-N 429.517 1.923 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C[C@H]3CCCCO3)CC1)C2=O 19699405 OMIZZJSCZAYNHB-GOSISDBHSA-N 448.564 1.506 0 40 IDAB Cc1cc2c(c(Br)c1C)OC[C@](CN1CCOCC1)(N1CCOCC1)[C@H]2O 22942751 IKDQRRJWCKHGHC-PMACEKPBSA-N 441.366 1.895 0 40 IDAB CCn1c(CCC(=O)NCc2ccc(OC)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21 24963028 LDKOUYZETUAFQW-UHFFFAOYSA-N 445.545 1.959 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccccc3Cl)c2)CCN1 32631762 RDFKWLUCTHJPHB-UHFFFAOYSA-N 429.907 1.261 0 40 IDAB COc1ccc([C@H](CN2CCOCC2)NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 48303408 QKFSNASDBWWRHD-QFIPXVFZSA-N 436.512 1.903 0 40 IDAB COc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408585 VDOVWQYFZGCGDH-ZWKOTPCHSA-N 430.482 1.438 0 40 IDAB NC(=O)C1CCN(C(=O)CN2CCC3(CC2)Nc2cc(Cl)ccc2C2=NCCN23)CC1 72327118 YPJKFURJYXPQBH-UHFFFAOYSA-N 444.967 1.344 0 40 IDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)[C@H](C)n1ncc3ccccc3c1=O)CC2 72347126 SXKRJGKTJKZDNH-INIZCTEOSA-N 446.511 1.941 0 40 IDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 72396907 XWOUMWCKBCPVMT-MRXNPFEDSA-N 444.513 1.150 0 40 IDAB O=C(NCC1(O)CCC2(CC1)OCCO2)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 78968610 VTGVGVPSQXOFCG-IBGZPJMESA-N 446.544 1.859 0 40 IDAB CC[C@H]1CN2CCC[C@@H]2CN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 95404751 CIFQGUKLIULJCB-VQTJNVASSA-N 434.606 1.387 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)c2cccc(Cl)c2)sc2cc(S(N)(=O)=O)ccc21 100876584 ITYGQRFUVHFKKN-JZJYNLBNSA-N 439.902 1.918 0 40 IDAB O=S(=O)(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 106051820 DWWQAMKKJNWNAF-UHFFFAOYSA-N 446.348 1.539 0 40 IDAB COc1ccc(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224473545 TYVSSSZMQOYQQT-UHFFFAOYSA-N 434.514 1.454 0 40 IDAB CC(=O)N[C@@H]1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc2c(C)n[nH]c2C)[C@H]1c1ccccc1 257210307 BUAXFZPKHREFCO-LQWHRVPQSA-N 426.521 1.374 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@@H]2c2cccc(CNC(=O)CO)c2)cc1 257282079 OSGHYQRHDKZVJY-FGZHOGPDSA-N 425.529 1.308 0 40 IDAB CC(=O)NC1CCN(C[C@]2(O)CCN(Cc3ccc(OCc4nccn4C)cc3)C2)CC1 257307920 TUSQTYZGLAWCAY-XMMPIXPASA-N 441.576 1.536 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCSc2ncn[nH]2)C1 260728471 BPGABFKIUUGGGM-LBPRGKRZSA-N 443.526 1.262 0 40 IDAB Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)c1 408614752 HGWSNKNGJJZGRY-IAGOWNOFSA-N 425.485 1.862 0 40 IDAB COc1cc(CNC[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)cc(OC)c1OC 585290706 UKXZDDLFYZMQJY-URXFXBBRSA-N 444.528 1.369 0 40 IDAB O=C(Cn1cnc2ccccc21)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@H]2C1 1549161634 NQXMVPLDDMFJAQ-LJQANCHMSA-N 437.500 1.471 0 40 IDAB COC1(C)CCN(C(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)CC1 2056226492 SGWXXMSNNVRPJL-LIRRHRJNSA-N 444.454 1.887 0 40 IDAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(S(=O)(=O)CCC(F)(F)F)C[C@H]4C3)ncn2)n1 2086894052 YLZBDALTBZJDCO-HUUCEWRRSA-N 444.483 1.929 0 40 IDAB O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NCc1ccccc1 3246714 DMKRYYXQTQFSHS-UHFFFAOYSA-N 436.461 1.320 0 40 IDAB O=C(CSc1nnc(-c2ccco2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 3400959 ILOCNIOXPDYSKO-UHFFFAOYSA-N 434.499 1.955 0 40 IDAB CCc1ccccc1N(CC(=O)NCc1ccco1)C(=O)c1snc(C(N)=O)c1N 4410159 LLSHJODGGFNVJC-UHFFFAOYSA-N 427.486 1.943 0 40 IDAB CSCC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9486821 IZAUTOOZXDSUAR-OLZOCXBDSA-N 444.604 1.322 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc1 9677341 AEBAMAUDZDXNHJ-UHFFFAOYSA-N 431.514 1.395 0 40 IDAB Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)n2ncnc2n1 9821664 GOSCYWPGKNLCDW-UHFFFAOYSA-N 430.490 1.105 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)C3CCCCC3)CC2)cc1 12984704 FJQQPLFKBJAKNV-UHFFFAOYSA-N 437.562 1.615 0 40 IDAB CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)N[C@H]1C 13165092 OZLMLFXUOHZEDE-HNNXBMFYSA-N 443.500 1.909 0 40 IDAB CC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(CS(=O)(=O)c3ccc(C)cc3)no2)CC1 15674527 XELRASFLLUEHLM-MJGOQNOKSA-N 448.545 1.471 0 40 IDAB biogenic,in-vitro CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c(=O)c2C1 19520407 JKYKAERLHWBSJA-SFHVURJKSA-N 448.520 1.984 0 40 IDAB COc1ccccc1CCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 22372484 NXQYLDKDDRHCFJ-UHFFFAOYSA-N 434.514 1.981 0 40 IDAB CCCn1c(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc2c(C)nn(C)c2c1=O 28557148 PHUKOAMYTQDLFB-UHFFFAOYSA-N 438.488 1.540 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CC(N)=O)cc3)C2)cc1 32045423 CFGJUHWPYCMBNU-INIZCTEOSA-N 431.514 1.762 0 40 IDAB CCc1c(C)sc2c1c1nc(-c3cccnc3)nn1c(=O)n2CC(=O)N1CCOCC1 32103355 ZHFOEOOOVVUKME-UHFFFAOYSA-N 438.513 1.897 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 32902007 FMWRRGAGLTXERP-HNNXBMFYSA-N 431.580 1.636 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(Cc3cnn(-c4ccccc4)n3)CC2)cc1OC 32927383 QMXUOBAPPBYDQW-UHFFFAOYSA-N 443.529 1.791 0 40 IDAB C[C@@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccc2c(c1)OCO2 32946801 WYCDVVPPBXXMPD-LLVKDONJSA-N 448.526 1.919 0 40 IDAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1C[C@@H](C)O[C@H](C)C1 40159866 WLZOMBNZFSRRDK-SPYBWZPUSA-N 426.535 1.787 0 40 IDAB CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCC(C)CC2)n1 49400644 PWXPGMVBTIPOQN-UHFFFAOYSA-N 434.518 1.982 0 40 IDAB NC(=O)CNC(=O)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1 49421090 DMFKXZUJWXSTSF-UHFFFAOYSA-N 429.477 1.609 0 40 IDAB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 58305990 LHAPGCZJXGVLTR-HXUWFJFHSA-N 436.622 1.863 0 40 IDAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC[C@H](O)C(F)(F)F 72290286 CXGCJGBRHWBXOW-KGLIPLIRSA-N 428.498 1.825 0 40 IDAB C[C@H](OC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)NCc1ccc2c(c1)OCO2 102127874 CNAZYGMDGCHVOP-CWRNSKLLSA-N 430.457 1.529 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3nc(-c4ccccc4)no3)c2)CC1 219973950 UBCURDLEYPGNNI-UHFFFAOYSA-N 441.513 1.603 0 40 IDAB CCCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)ccc1OC 222922060 ADGLBQCHQFMPNK-SFHVURJKSA-N 448.497 1.964 0 40 IDAB Cc1ccc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 224713460 IVAJBWBHLBFFQN-UHFFFAOYSA-N 431.558 1.910 0 40 IDAB COc1ccc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(OC)c1OC 225085302 OSJCBBPPCVHSSJ-UHFFFAOYSA-N 434.470 1.844 0 40 IDAB O=C(NCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1)c1cccnc1 247387515 KPYCPGQHVQUJQC-YPXCTIMRSA-N 434.496 1.883 0 40 IDAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O 253618211 HLORHOWZWQKXIN-DIDBOHHESA-N 434.529 1.433 0 40 IDAB CNc1nc([C@H]2CCN(C(=O)CN3CCc4ccccc4C3)C2)nc2c1CCN(C(C)=O)C2 257256791 KMXXLQYXDILQDE-FQEVSTJZSA-N 448.571 1.797 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)Cc2ccccc2)cc1OC 409005222 SKGBLNILLHFPRD-UHFFFAOYSA-N 447.557 1.669 0 40 IDAB CCOC(=O)N1CCC(N2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)CC1 585283027 OSTWIYQQDYGELV-HSZRJFAPSA-N 433.549 1.890 0 40 IDAB CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 647690860 MFACTVCDHUJBRT-DYESRHJHSA-N 441.507 1.525 0 40 IDAB COc1ccccc1-c1ccnc(N[C@H]2CO[C@@H]3[C@@H](NC(=O)CCC(=O)O)CO[C@H]23)n1 5439001 XTDSXGHWZMLISS-IQGAEYHTSA-N 428.445 1.080 0 40 IDAB biogenic,in-vitro Cn1cnc2c1c(=O)n(CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)c(=O)n2C 9466158 UHPKGOZICMPFHG-UHFFFAOYSA-N 427.480 1.934 0 40 IDAB CNS(=O)(=O)c1cc(/C=C/C(=O)N2CCN(c3ccc(O)cc3)CC2)ccc1OC 9672411 VCXRBUYDWWNKHR-ONNFQVAWSA-N 431.514 1.671 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(C)c2)cc1 9806572 PAVMVJOILHDTEM-KRWDZBQOSA-N 431.514 1.912 0 40 IDAB CC(C)[C@H](Sc1ccccc1C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)C(=O)NC(N)=O 9963309 POWPEOPILIVMCT-KGLIPLIRSA-N 438.506 1.375 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)NCc3cccs3)CC1)O2 12087090 JZZUWOYREOGLNB-QFIPXVFZSA-N 443.525 1.947 0 40 IDAB CCOC(=O)c1ccc(-n2nnnc2[C@](C)(CN2C(=O)c3ccccc3C2=O)NC)cc1 12411122 OKGNETCPZUNFFS-QFIPXVFZSA-N 434.456 1.570 0 40 IDAB CCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 12567705 WYFSODKJUSWNMB-BFUOFWGJSA-N 439.559 1.257 0 40 IDAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)N3CCNC3=O)C2=O)cc1 13015095 NBGRUBPUGHQARD-UHFFFAOYSA-N 438.440 1.051 0 40 IDAB O=C(CN(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NC1CCCC1 13151013 IMMBFVKWWMMERO-QGZVFWFLSA-N 441.525 1.170 0 40 IDAB COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1C(=O)N1CCOCC1 13668750 RGFFBDZQRLYFRL-UHFFFAOYSA-N 439.578 1.712 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)c(=O)[nH]c1=O 14655959 YWHXLFTWDUGWID-AWEZNQCLSA-N 443.504 1.252 0 40 IDAB NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 16013083 HJZSLJCUWMONSV-PBWVOLNLSA-N 438.871 1.136 0 40 IDAB COCCCN1C(=O)CCc2c(C)nc(CN(C)S(=O)(=O)c3ccccc3OC)nc21 19697987 ROFFMRSPJZADPU-UHFFFAOYSA-N 448.545 1.930 0 40 IDAB CC(=O)NCC(=O)N1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19759593 CDEIANNIQQUSPU-GOSISDBHSA-N 439.497 1.980 0 40 IDAB CCSc1ncc2c(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cnc2n1 20190973 FOGXLVUOODBXPN-UHFFFAOYSA-N 428.493 1.786 0 40 IDAB Nc1cc(N)nc(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 20198397 LQUJOZIAJWCDRL-QGZVFWFLSA-N 444.542 1.438 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)NCc4ccc(Cl)cc4)c(=O)c3s2)CC1 21886472 SADXKWGXGXRZEB-UHFFFAOYSA-N 446.964 1.965 0 40 IDAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCNC(=O)c1ccco1 23042431 NAGWYMBYBUYLRV-UHFFFAOYSA-N 433.530 1.933 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)C1=O 23948112 BRBLYGKXWYNOGY-DEOSSOPVSA-N 448.479 1.924 0 40 IDAB Cc1nc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)sc1SCC(N)=O 31799462 XBXOHSLAQIBIIS-UHFFFAOYSA-N 445.526 1.917 0 40 IDAB COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F)C(=O)OC 31812192 MWVQTIUVCSEGKD-SJCJKPOMSA-N 440.378 1.589 0 40 IDAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1 32125074 WNFZYEYALGIXGH-UHFFFAOYSA-N 448.570 1.904 0 40 IDAB CC(C)[C@H](C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O 32745116 HIIPTZQQUJBGAF-GOSISDBHSA-N 446.481 1.577 0 40 IDAB CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cc2)c1C 48234354 MTOQHFLDUAMDEK-MRXNPFEDSA-N 449.533 1.903 0 40 IDAB Cn1c(CNC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)nc2ccccc21 72325871 PPXFYOJXTCJKIK-DEOSSOPVSA-N 446.511 1.754 0 40 IDAB O=C(CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)Nc1ccc2c(c1)OCCO2 72341831 DZUQVIOPTBUZHL-UHFFFAOYSA-N 439.516 1.935 0 40 IDAB O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CC[C@H](CN2CCOCC2)C1 78878527 NYZHANYQZSFEDM-CQSZACIVSA-N 448.614 1.887 0 40 IDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)NCc4ccc(OC)cc4)CC3)[C@@H]1CN(C(C)=O)C2 96143769 JFKAPZPGQJCFEK-GBXCKJPGSA-N 442.560 1.992 0 40 IDAB CC(C)CC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(=O)N(C)C)[C@H]2CC1 96145830 PQYOPOQLOBZESG-IRXDYDNUSA-N 437.562 1.564 0 40 IDAB CCc1cccc2c1NC(=O)[C@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 105378470 SQGPABFIJDWYSY-RAHFBHDRSA-N 449.507 1.559 0 40 IDAB CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)cc1 225700808 DTGXDCHGJQNRGC-OAHLLOKOSA-N 437.518 1.232 0 40 IDAB COC(=O)c1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Br)cc1 408555254 WEMWKBMBESNAKZ-UHFFFAOYSA-N 434.246 1.929 0 40 IDAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc(N2CCN(CCO)CC2)cc1 524734008 MXAVOIAHJZUKHR-UHFFFAOYSA-N 427.553 1.767 0 40 IDAB Cn1cc(-c2ccc3c(c2)NC(=O)CN2CCN(C(=O)c4cnccn4)C[C@H]2CO3)cn1 1772594461 BWESJFUXJQHGQA-KRWDZBQOSA-N 433.472 1.035 0 40 IDAB COc1cc(C)c(S(=O)(=O)N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)cc1C 1888930589 NKAIVRVHWXCQFS-HZPDHXFCSA-N 428.518 1.507 0 40 IDAB Cn1c(=O)c2c(nc(N3CCCC3)n2CCSc2nc3ccccc3o2)n(C)c1=O 808428 ZZJXJJSXINSOLQ-UHFFFAOYSA-N 426.502 1.967 0 40 IDAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1 2143479 BKYXMSLTUPOQLB-UHFFFAOYSA-N 432.531 1.870 0 40 IDAB CC(=O)OC[C@@H]1O[C@](COC(C)=O)(OCc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4721294 OHRHZBQVAOMZNX-WOZUAGRISA-N 438.429 1.288 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)ccc2c1=O 4766434 MIDKIGGXKUIMKM-UHFFFAOYSA-N 438.484 1.307 0 40 IDAB CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1 5734793 FAVCUUQOZGVLMI-XUVXKRRUSA-N 433.417 1.298 0 40 IDAB CC1=NN(CCCO)c2nc3c(c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)n2[C@@H]1C 8706132 OXUWELZOWCRDON-GFCCVEGCSA-N 448.886 1.877 0 40 IDAB Cc1c(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8764289 CVATZHPMBPCGPH-HOTGVXAUSA-N 435.498 1.022 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)s1 8982483 GJXRRBKHXVPWRC-UHFFFAOYSA-N 444.556 1.523 0 40 IDAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCN(C(=O)c2cccs2)CC1 9644036 NOCLNVPUEYEYHI-UHFFFAOYSA-N 448.508 1.628 0 40 IDAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)NC(=O)NC1CCCCC1 9672648 KYGGZGYKETVRCO-LJQANCHMSA-N 430.505 1.271 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 9703347 PMJUPTQFYKUTDB-OAHLLOKOSA-N 448.497 1.957 0 40 IDAB CCOCCn1c(N2CCN(CCCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 9714576 MHCWVLIIBPVMQK-UHFFFAOYSA-N 440.548 1.215 0 40 IDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9765492 RJCYLWLSJYTKKN-HXUWFJFHSA-N 429.542 1.712 0 40 IDAB O=C(c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)N1CCN(c2ccccc2)CC1 12029503 QOGCZTVILYKQDX-HXUWFJFHSA-N 448.566 1.610 0 40 IDAB O=C(c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)N1CCN(c2ccccn2)CC1 12029575 VJMBVAWVUCOVDG-GOSISDBHSA-N 449.554 1.005 0 40 IDAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)C2)on1 12252087 BMIGOQSGJOKASK-ZIAGYGMSSA-N 439.563 1.326 0 40 IDAB CSCC[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1)C(=O)O 12871079 YPNGHVORCMSPKR-HKUYNNGSSA-N 446.573 1.599 0 40 IDAB biogenic O=c1c(C(c2ccc(F)cc2)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2 13773847 XXOQHLWYTJDYNB-UHFFFAOYSA-N 446.485 1.742 0 40 IDAB Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1NC(=O)c1ccco1 14135592 MDALDJDUFYGRAR-QGZVFWFLSA-N 431.514 1.785 0 40 IDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCN(C(=O)c2ccccc2)CC1 14228179 NASXHYXEBIWAOS-UHFFFAOYSA-N 432.480 1.043 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 16032695 YXFYDKGOUWOCQS-WYRIXSBYSA-N 432.473 1.829 0 40 IDAB biogenic Cc1ccccc1Cn1c(=O)c2c(nc3n(CCN4CCOCC4)c(C)cn23)n(C)c1=O 19200998 UEDIUSAOOFPAGA-UHFFFAOYSA-N 436.516 1.147 0 40 IDAB Cc1cc(S(=O)(=O)N2CC[C@@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)ccc1F 19757822 GIUWKIRADDAFTO-MRXNPFEDSA-N 448.520 1.883 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 22851633 LYYHJWJRFNEDFI-LJQANCHMSA-N 433.530 1.691 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3nnc(-c4ccccc4)n3)CC2)cc1 25666380 OANJOHWDZYIPSV-UHFFFAOYSA-N 426.502 1.507 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCCC2)C1 31807716 VZLUUXZWYQKDLD-AWEZNQCLSA-N 426.539 1.001 0 40 IDAB Cc1ccc(CNC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)cc1 35425719 JHQQVEMZDHRTGB-UHFFFAOYSA-N 432.484 1.506 0 40 IDAB Cc1nc(NCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(-n2ccnc2C)n1 38670587 MUPSLCPEPQRKLF-UHFFFAOYSA-N 443.533 1.371 0 40 IDAB O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)NCc1ccc(C(F)(F)F)cc1 49400034 OPMRXZFCSLKKJA-UHFFFAOYSA-N 436.394 1.063 0 40 IDAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)cc1 57520655 MZBXLMJMLWCQOZ-UHFFFAOYSA-N 427.486 1.598 0 40 IDAB CCc1ccc(CNC(=O)Cn2cnc3nc(N4CCN(CC)CC4)sc3c2=O)cc1 67319325 BSKKAUDIAOICBX-UHFFFAOYSA-N 440.573 1.874 0 40 IDAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)Nc1ccccc1Cl 70902507 UVHTXUGFBKBQDW-UHFFFAOYSA-N 436.921 1.891 0 40 IDAB COc1cccc2sc(N3CC(OC(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc12 77200600 SSPYSVYNQDUDKY-UHFFFAOYSA-N 425.532 1.708 0 40 IDAB COC(=O)CCN1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)[C@H](C)C1 95460657 JCRCERJCYCAREO-OAHLLOKOSA-N 446.573 1.823 0 40 IDAB CC(C)C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100928571 HUYQJPSECCTJSR-IGISWZIWSA-N 431.514 1.494 0 40 IDAB CCc1cccc2c1NC(=O)[C@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 105381084 TYWOLZGGOZTIIF-XKYJRPCDSA-N 433.508 1.593 0 40 IDAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222962950 YCTPYZUZFMXFCC-AWEZNQCLSA-N 447.488 1.524 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@H](CO)[C@@H](O)[C@H]1O 245227676 SMWDBPKQNHBCGZ-XHJNMGKDSA-N 433.301 1.047 0 40 IDAB CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)nn1 510619020 VTBLFPBPMXHXCZ-LBPRGKRZSA-N 426.399 1.274 0 40 IDAB Cc1nccn1CC(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643557536 XHVQQRNTFREQDB-QHCPKHFHSA-N 426.517 1.711 0 40 IDAB CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)O)CC(=O)N[C@@H](CC(C)C)C1=O 643585322 YXRCQUUYSGRONL-ROUUACIJSA-N 447.532 1.812 0 40 IDAB CN(CCOC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21 780293 SAFXLGUCHZMSFO-HNNXBMFYSA-N 427.482 1.664 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 3417446 SUTXXWRHIHHUOQ-ZHACJKMWSA-N 443.481 1.414 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](n2cnc3c(Cl)ncnc32)C[C@@H](OC(C)=O)[C@H]1OC(C)=O 4975053 PXDSYUHUQAIRBD-QVHKTLOISA-N 426.813 1.194 0 40 IDAB CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C 6198415 QQAXYHFYKKNIHJ-UHFFFAOYSA-N 433.490 1.202 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1 8848687 CKIAXYMRBDHBLG-UHFFFAOYSA-N 435.440 1.372 0 40 IDAB O=C(COC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)Nc1ccc(F)cc1 9126615 QMJNSJHGQIJMPC-MRXNPFEDSA-N 431.445 1.921 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc1OC 9303227 WNDGURXLUQSKEF-LOODEUFTSA-N 439.468 1.646 0 40 IDAB COc1ccc(O)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 9498769 KYHBLYHBYSRSEB-UHFFFAOYSA-N 448.497 1.399 0 40 IDAB NC(=O)CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(F)cc2)c1 9587515 XNIFNGXTRAZGCM-UHFFFAOYSA-N 430.255 1.604 0 40 IDAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n(C)c1=O 9670333 ZXHJJNQZFKWNFZ-UHFFFAOYSA-N 442.867 1.087 0 40 IDAB O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 9741529 JFNUFGVWVBCUPG-PBHICJAKSA-N 440.518 1.814 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@H](c2ccc(O)cc2)n2nnnc2N1 10232390 JUOPOJMRRZRULV-SFHVURJKSA-N 437.412 1.721 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@@H](C)C(=O)N3CCC(O)CC3)CC1)CC2=O 12086395 MVEUIDOLOZZJGQ-NPMXOYFQSA-N 430.501 1.784 0 40 IDAB Cc1ccc(N2C(=O)N(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)C(=O)[C@@H]2C)cc1 13039854 KVOQRCWKJAZYGO-WMZOPIPTSA-N 435.546 1.824 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)c1ccc2c(c1)CCO2 13228026 XUBUNMYOQANJCE-UHFFFAOYSA-N 447.426 1.946 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 16032936 AKRMSGHMOGSAMH-WKVINZIJSA-N 446.507 1.224 0 40 IDAB biogenic Cc1nn(C)cc1[C@@H](C)NC(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O 19750317 WUTZGDHFCRFHEX-CQSZACIVSA-N 425.464 1.837 0 40 IDAB COCCn1nc(C(=O)N2CCN(Cc3csc(-c4ccco4)n3)CC2)ccc1=O 23099193 IVWFOUNEVAJUQT-UHFFFAOYSA-N 429.502 1.564 0 40 IDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 24833864 ZXFMZMGSNOVUGO-MRXNPFEDSA-N 447.513 1.791 0 40 IDAB COc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 27915152 UYLKTCFIMQFUHD-UHFFFAOYSA-N 447.469 1.263 0 40 IDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 32900301 UYHOVPVLLVPYFP-NRFANRHFSA-N 425.533 1.965 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)CC(C)(C)C)n2Cc2ccc(F)cc2)n(C)c1=O 35312104 ZHBUXNGOCPPMDD-UHFFFAOYSA-N 444.511 1.585 0 40 IDAB O=C(CN1CCN(C(=O)CSc2nc3ncccn3n2)CC1)Nc1ccc(F)cc1 36023325 ZUWFMVYUSDVLMG-UHFFFAOYSA-N 429.481 1.138 0 40 IDAB COc1cccc(CNC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)c1OC 45970599 OUJVNVXSCXUNAZ-UHFFFAOYSA-N 429.502 1.787 0 40 IDAB Cn1c(=O)n(C)c2cc(C(=O)N3C[C@H]4CCc5c(nc(N6CCCC6)[nH]c5=O)[C@H]4C3)ccc21 72336086 DXNJDCPMHCZOEX-WBVHZDCISA-N 448.527 1.363 0 40 IDAB COCCN1CCC2(CC1)CC1(CCN(S(=O)(=O)c3ccccc3)CC1)N(C)C2=O 96262349 IUTLGIIUXGGAJH-UHFFFAOYSA-N 435.590 1.801 0 40 IDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 105352132 OPNZIEVNEBUACP-YPXRLJSESA-N 436.306 1.349 0 40 IDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220676925 PGFLOSLDUPJVFP-CQSZACIVSA-N 427.436 1.597 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222803548 UFLZFDQOGPJACE-CQSZACIVSA-N 445.497 1.003 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CN3CCCC[C@H]3C)C1)C2=O 248070603 GDJHDJXXQZMCPA-QZTJIDSGSA-N 447.580 1.175 0 40 IDAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC4(CC2)NC(=O)c2ccccc2N4)[C@H]3C1=O 248138666 AWZHXMWLVAQTSR-GKAYAJSDSA-N 436.512 1.351 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N3C[C@@H](C)O[C@H](C)C3)CC1)O2 248333008 JOTXISZZKPQTCG-FGDDKPPBSA-N 443.544 1.893 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 253373287 IIIQUNQPOFNJMI-MFEFFIJZSA-N 427.549 1.540 0 40 IDAB CC(C)CC(=O)N1CCCN(C(=O)Cc2cnc(N)nc2O)CCNCc2ccccc21 643557624 RSPXSZMNICZQRS-UHFFFAOYSA-N 440.548 1.708 0 40 IDAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)Nc1ccc(OC)cc1)CC2 1772595446 XPWALHSHABVDFS-LJQANCHMSA-N 431.537 1.124 0 40 IDAB CSc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 2645300 SACMKZRJXXOYTM-UHFFFAOYSA-N 435.527 1.721 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)O)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O 4036877 NBILXXNSGNHLEZ-UHFFFAOYSA-N 428.392 1.678 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2c1=O 4766415 DLKSMGMHVYYKHY-UHFFFAOYSA-N 442.903 1.952 0 40 IDAB Cn1nc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2c1=O 8880274 DYLTUTFLHBWZQS-UHFFFAOYSA-N 444.488 1.609 0 40 IDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 9126377 OOGXHPBNIYZPPR-FQEVSTJZSA-N 435.590 1.863 0 40 IDAB COCCNC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(Br)c1 9238844 BKQNPSOSMFNWNO-KBPBESRZSA-N 442.339 1.879 0 40 IDAB Cc1nn(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C)c1S(=O)(=O)N(C)C 9691418 CUXLNCLWIVMPSF-KRWDZBQOSA-N 448.545 1.885 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 12494190 URRPOKDJBPNOGV-SSDOTTSWSA-N 433.515 1.525 0 40 IDAB COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1 12686375 CTWZRAQOUOBRBC-UHFFFAOYSA-N 434.470 1.740 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccccc3)CC2)c(C)c1 12747173 WPAKTWOLIQVKPU-UHFFFAOYSA-N 444.557 1.636 0 40 IDAB COc1cc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(OC)cc1Cl 12818380 VCKSQKVUCUXZDE-SNVBAGLBSA-N 429.882 1.461 0 40 IDAB NC(=O)CCc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n1C[C@@H]1CCCO1 12881097 BLUOUJFBOLGLHV-ZDUSSCGKSA-N 445.501 1.181 0 40 IDAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 13150136 VHLOSHOSVDWSLA-UHFFFAOYSA-N 437.474 1.614 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(OC)c1OC 14374186 VSPDGQXSWFNNPU-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCC(=O)NC(C)(C)C)ccc2Cl)C[C@@H](C)O1 15175913 NYUQEKXZSSHTKY-CHWSQXEVSA-N 445.969 1.782 0 40 IDAB COc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 15780564 BDABPQFJZRWPEA-UHFFFAOYSA-N 440.499 1.807 0 40 IDAB CN(C)[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccs1 25436661 ZACHHHWKAARCLU-QGZVFWFLSA-N 441.550 1.941 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 36431117 JBPXBMHPVXIKNU-CTNGQTDRSA-N 435.590 1.861 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)CC1 67262435 MDZXWDIZURRQNA-UHFFFAOYSA-N 441.463 1.993 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 95115746 KSQBJQBUSNNORM-UKDJSQQHSA-N 447.491 1.589 0 40 IDAB Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CN(c5ncccn5)CCN4C)n3c2)cn1 96156703 CMMINYKSJDVDBD-GOSISDBHSA-N 429.488 1.968 0 40 IDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 103375259 XIEJGDRMSRFXRB-KDURUIRLSA-N 442.516 1.997 0 40 IDAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 224987529 AAYFIEZCDOOYOC-UHFFFAOYSA-N 449.529 1.945 0 40 IDAB O=C(O)COc1ccc(-c2coc3cc(OCC(=O)O)c(OCC(=O)O)cc3c2=O)cc1 263583626 OCPWUWVJQNFATA-UHFFFAOYSA-N 444.348 1.850 0 40 IDAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1C[C@@H]2CN(c3ncncc3C)C[C@H]2C1 1889237070 GHLZAAADKWNGRG-IRXDYDNUSA-N 432.484 1.548 0 40 IDAB O=C1c2ccccc2C(=O)N1CCCN1CCN(c2nccc(N3CCOCC3)n2)CC1 2087145832 NMJWIHHWLXLHOF-UHFFFAOYSA-N 436.516 1.122 0 40 IDAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCCN4CCCC4)ccc3c2=O)cc1 4004841 BZMXPSQKENOGDN-UHFFFAOYSA-N 436.512 1.962 0 40 IDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C(=O)OCC)CC2)c(C)c1 7604567 QYQQHOFWNSNFMK-UHFFFAOYSA-N 427.523 1.363 0 40 IDAB CCOc1ccccc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(OC)cc1 8849160 OITGPFCSNUJOIX-UHFFFAOYSA-N 437.456 1.603 0 40 IDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 8877565 CTWSYDXRUUGDTC-UHFFFAOYSA-N 435.480 1.714 0 40 IDAB O=C(OCC(=O)N1CCNC1=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 9367473 CTCKOCNQVNKDKE-JLHYYAGUSA-N 429.454 1.808 0 40 IDAB COC(=O)[C@@](O)(COC(=O)c1cccc(Cl)c1)[C@@](O)(c1nccn1C)C(F)(F)F 12558700 HALOWZHOEAFVJB-HOTGVXAUSA-N 436.770 1.585 0 40 IDAB COC(=O)c1cccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 12916886 UZJJAWVEZABICL-UHFFFAOYSA-N 438.527 1.605 0 40 IDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 13987130 OCISBZHXJCOBQY-XMMPIXPASA-N 442.604 1.917 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)NC(=O)NC1 14240424 VPETWCXBLYLBFN-CQSZACIVSA-N 449.891 1.865 0 40 IDAB CCCn1c(=O)n(CC(=O)Nc2ccccc2OC)c(=O)c2c1nc(C)n2CCOC 14358308 QFGWRDUZWWBGIL-UHFFFAOYSA-N 429.477 1.372 0 40 IDAB CCc1n[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1 14803103 CUEGZKDQUUGYJE-UHFFFAOYSA-N 425.536 1.427 0 40 IDAB CNc1cc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CCNCC2)n1 19710116 CPTZFVNQYDWZSD-IBGZPJMESA-N 436.560 1.992 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)CC1 19868034 ZCQZPUPTLZUQBP-UHFFFAOYSA-N 427.954 1.606 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 20030880 ODYXJOIDWKFUQM-UHFFFAOYSA-N 431.580 1.147 0 40 IDAB O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(CCN2CCCC2)CC1 22912575 FBNCHCKQIIKAGJ-SFHVURJKSA-N 440.635 1.389 0 40 IDAB CCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)Oc2ccccc21 26112541 FFECGAOSMDUVSS-NRFANRHFSA-N 429.542 1.948 0 40 IDAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 29854180 OWWBWTMUDPBTHW-UHFFFAOYSA-N 433.436 1.953 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 33905145 OBNBHYQEYRONSE-QSUVIHHLSA-N 438.429 1.457 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 34872299 DFSOIXHZKIIFDH-UHFFFAOYSA-N 431.514 1.977 0 40 IDAB O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1 57611379 LODRYEJATFVXFB-QGZVFWFLSA-N 427.592 1.766 0 40 IDAB COc1ccc(CCNC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1OC 67320206 BHOOGHUQBXAYAC-UHFFFAOYSA-N 441.459 1.823 0 40 IDAB CS(=O)(=O)c1ccc(CCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 72296712 IOJHFXZVNKMLQO-UHFFFAOYSA-N 444.962 1.868 0 40 IDAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101289 YCUGZKNDANNCAE-UHFFFAOYSA-N 426.498 1.483 0 40 IDAB CCC(=O)[C@H]1CCCCN1C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 95979891 WKFRTCRNXHEDKF-QGZVFWFLSA-N 438.546 1.619 0 40 IDAB Cc1cc2ccccc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 95997143 NEUDSVQLLBRDFH-UHFFFAOYSA-N 441.509 1.970 0 40 IDAB COC(=O)C(=O)[C@H](C(=O)C(=O)Nc1cccc(C(C)=O)c1)c1nc2ccccc2nc1O 101388393 OPBBPMAXYCHXOE-INIZCTEOSA-N 435.392 1.572 0 40 IDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102391427 NSSSAGLUDHJNKL-ROUUACIJSA-N 428.489 1.607 0 40 IDAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O 104212707 HFRIHHATBWHSII-SPOLIRPYSA-N 446.548 1.130 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222562026 OYZYWNJULRWDRX-CYBMUJFWSA-N 449.916 1.648 0 40 IDAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 223839480 MWCPSWZHQXDNCJ-UHFFFAOYSA-N 431.514 1.970 0 40 IDAB CS(=O)(=O)N1C[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)Oc2ccc(Cl)cc21 225268148 XBLKHFGPSLHDDS-ACJLOTCBSA-N 438.889 1.823 0 40 IDAB CCN(CC(=O)NCCSc1nc(C)n[nH]1)S(=O)(=O)c1cc(C)ccc1OC 226055511 XJWMQFVMBUNKLE-UHFFFAOYSA-N 427.552 1.349 0 40 IDAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)c5ccc(F)cc5C)C[C@H]4C3)nn12 1888930460 ASHPRIRZSRFAEH-HUUCEWRRSA-N 430.509 1.891 0 40 IDAB CC(C)CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 4316518 AMLVHYLKIDZXOA-UHFFFAOYSA-N 428.512 1.779 0 40 IDAB COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(c2nc(C)cc(C)n2)CC1 5002379 PRAYNUIMLMVEEH-HXUWFJFHSA-N 425.533 1.934 0 40 IDAB CO[C@@H]1O[C@@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@@H](OC(=O)Nc2ccccc2)[C@@H]1O 5063457 WZZMKLDDQSFZBY-QXCZDIPSSA-N 432.429 1.946 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)O)C(C)C)CC2)cc1 9186431 SPUMLLKKRBODPG-KRWDZBQOSA-N 425.507 1.271 0 40 IDAB CC(=O)N[C@H](CC(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 9589301 SYKZCIXWOHIMNN-QGZVFWFLSA-N 441.440 1.917 0 40 IDAB O=C1COc2ccc(C(=O)COC(=O)CNC(=O)c3ccc(Br)o3)cc2N1 9602163 KGCRWDBPSPQJOL-UHFFFAOYSA-N 437.202 1.529 0 40 IDAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)c1 9707646 MYPFOSXYMVLECZ-UHFFFAOYSA-N 435.483 1.943 0 40 IDAB COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc5c(c4)OCO5)c3n2)c(OC)c1 9739544 GIGDEJGGTKLVCU-UHFFFAOYSA-N 435.396 1.621 0 40 IDAB COc1ccc(CCNC(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1OC 10217065 HNKDHYULHQDJRP-UHFFFAOYSA-N 444.513 1.100 0 40 IDAB COc1cccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)c1 10219715 BBCGVKLHQZLXIQ-UHFFFAOYSA-N 440.481 1.564 0 40 IDAB CCOc1ccc(OCCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 10663557 NQGAGLAWWKHKIQ-UHFFFAOYSA-N 437.518 1.992 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)CC1 11594446 MATCZLDFKFAQQD-UHFFFAOYSA-N 443.831 1.907 0 40 IDAB O=C(c1cc(F)ccc1-n1cnnn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12322672 BVNKBFYBVIJHHU-UHFFFAOYSA-N 434.428 1.087 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 12918441 ATIJPUUSEXXSSS-UHFFFAOYSA-N 441.531 1.734 0 40 IDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1C 13137967 JXLWOIHYOVLNSX-OAHLLOKOSA-N 442.534 1.637 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1cccc(Cl)c1 13640117 TWBGQHGVDRMKGX-HOTGVXAUSA-N 436.896 1.820 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c(=O)[nH]c1=O 14655314 DOYKJYQWMIFIRL-OAHLLOKOSA-N 427.505 1.552 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NC)c2)cc1 15438346 YIMXWKNMZQFTNM-UHFFFAOYSA-N 425.532 1.878 0 40 IDAB O=C1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1CCOc1ccccc1 17190887 GYNCOJDNAGBPGU-UHFFFAOYSA-N 429.498 1.841 0 40 IDAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(Cc2ccc(CN3CCOCC3)o2)C1 19573229 YOYIKOVVUSXDTL-CQSZACIVSA-N 426.564 1.746 0 40 IDAB COc1cc(C(=O)N2CCOCC2)c(CN2C(=O)c3ccccc3C2=O)c(OC)c1OC 20227942 FJSPMXWEVHWURW-UHFFFAOYSA-N 440.452 1.981 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1OC 22246644 JTBUXTXYQKENMM-SFHVURJKSA-N 434.514 1.452 0 40 IDAB COc1cc(C(=O)NCCO)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC 22254310 YPRNPXPMZAMHNG-UHFFFAOYSA-N 426.466 1.531 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)s1 22701895 DDKJQSDVWNRUNS-UHFFFAOYSA-N 430.577 1.381 0 40 IDAB CCn1cccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2C)c1=O 23136320 RKPAPWCPKZRRKR-UHFFFAOYSA-N 427.486 1.801 0 40 IDAB CCCCN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 24004945 AFEHOZFCNJBTKC-XCLFUZPHSA-N 437.566 1.362 0 40 IDAB Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(C)c3cc12 26771698 GFAJISOGABINRS-OAHLLOKOSA-N 429.429 1.716 0 40 IDAB biogenic Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)s1 32741564 UOLDBVZVGKTVQT-OAHLLOKOSA-N 442.559 1.288 0 40 IDAB O=C1COc2ccc(C(=O)COC(=O)c3cc(S(=O)(=O)N4CCCC4)c[nH]3)cc2N1 32776295 YIXLGOXUCJLKDJ-UHFFFAOYSA-N 433.442 1.170 0 40 IDAB Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2CCCc2ccccc2)n(C)c1=O 32815347 RQMADEYQXOZJTL-UHFFFAOYSA-N 443.573 1.491 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1CCc1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)o1 35597125 FTTISNVFSBAYPU-UHFFFAOYSA-N 441.391 1.688 0 40 IDAB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)Oc2ccccc21 38831809 IRSWWRWCOYGSIH-OAQYLSRUSA-N 445.541 1.362 0 40 IDAB Cc1ncc(CN(C)[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1 40154602 ZBQXTMIPNXQEAS-AWEZNQCLSA-N 438.575 1.931 0 40 IDAB CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCC(=O)OC)cn3C2CC2)CC1 51364272 PLOCTXRNASYIFT-UHFFFAOYSA-N 431.464 1.947 0 40 IDAB CC(C)CCn1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C 57010955 IWWVAJMLJTVXMC-UHFFFAOYSA-N 442.539 1.941 0 40 IDAB O=C(Nc1cccc(CN2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 57996285 XWWISSLKLOUZRO-UHFFFAOYSA-N 445.541 1.792 0 40 IDAB NC(=O)[C@H](CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)Cc1ccc(F)cc1 58153700 QOJMKAHREJFLIY-KRWDZBQOSA-N 438.459 1.535 0 40 IDAB COc1cc(C(=O)O)c(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)c(OC)c1OC 60353788 XCUHEQUJCMJLDI-UHFFFAOYSA-N 436.446 1.802 0 40 IDAB CC(C)[C@H](N[C@@H]1C=CS(=O)(=O)C1)C(=O)N1CCC(c2nn(C)c3ncccc23)CC1 72341213 XHIMYCXSZDYZJZ-AEFFLSMTSA-N 431.562 1.599 0 40 IDAB Cn1nc(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1Br 95448232 YCTFQWKJDWULEM-GFCCVEGCSA-N 443.323 1.892 0 40 IDAB COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(OC)c(OC)c2)o1 96221128 CNQQLGBMGSJLKB-MRXNPFEDSA-N 433.457 1.890 0 40 IDAB biogenic CNC(=O)CS(=O)(=O)C1CCN(C(=O)CCc2ccccc2Br)CC1 96377066 ALNXHHMDTQAOSF-UHFFFAOYSA-N 431.352 1.534 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2C)sc2cc(S(N)(=O)=O)ccc21 100877625 XWWLNHXXRSGCPL-VZCXRCSSSA-N 433.511 1.963 0 40 IDAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 219973311 LYJIRFVPUSQTNG-UHFFFAOYSA-N 431.514 1.423 0 40 IDAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CN(C(=O)CN3CCNC(=O)C3)CCO2)n1 257216100 CTCHCDBEPRXSET-NRFANRHFSA-N 442.947 1.966 0 40 IDAB Cn1c(=O)c2c([C@@H]3CCCN(C(=O)[C@H](N)Cc4ccc(F)cc4)C3)ccnc2n(C)c1=O 257236702 HDIAKTKWCDBWMW-CRAIPNDOSA-N 439.491 1.047 0 40 IDAB Cc1nc2ccccc2n1CCC(=O)N1C[C@@H](O)[C@H](n2ccc3c(C(N)=O)ccnc32)C1 257301341 RYBLSFXAWPQWTC-WOJBJXKFSA-N 432.484 1.628 0 40 IDAB CCCN1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 257317579 VKJHYVMKFOBRQZ-FQEVSTJZSA-N 449.511 1.292 0 40 IDAB COc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H](C)O)CC3=O)cc2)c1 408615770 SAQGRPGTBVDZQN-HOTGVXAUSA-N 441.484 1.563 0 40 IDAB O=C([C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)N1CCC[C@@H](N2CCNC2=O)C1 525583388 WLBUPPCUBPRLQZ-ZWKOTPCHSA-N 445.589 1.954 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5cccc(OC)c5)C[C@H]4C3)ncnc21 1888935242 LCZBWZYFIJOSMF-GASCZTMLSA-N 428.518 1.612 0 40 IDAB COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H](CO)[C@H]2C(=O)O)OCO4)cc(OC)c1OC 1668755 XRBSKUSTLXISAB-AQWZQNETSA-N 432.425 1.929 0 40 IDAB biogenic,world CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2O1 8878323 AVRYCXOFHOCUBP-UHFFFAOYSA-N 448.497 1.521 0 40 IDAB biogenic COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1OC 8903830 MKWFFGJKTZUFTA-UHFFFAOYSA-N 446.467 1.974 0 40 IDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 9111975 YXKDMTVGNAXVIP-JXFKEZNVSA-N 437.493 1.161 0 40 IDAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccccc3OC)c2N)c1 9226926 JBLPRFUCFBDRJP-UHFFFAOYSA-N 426.433 1.777 0 40 IDAB O=C(O)CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9306727 FQIYOJUCRRIIKC-ZDUSSCGKSA-N 440.547 1.853 0 40 IDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9349422 ANQNRQPJEBRKJQ-HFNXDKSESA-N 431.518 1.174 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NCc1ccco1 9484898 YMIBGPYAMXDZMB-CQSZACIVSA-N 439.921 1.766 0 40 IDAB COC(=O)c1ccc(COC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C)c(C)c2)cc1 9586092 LEWQKTJDGXWINZ-ICSRJNTNSA-N 447.509 1.957 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 9641213 VGQPOPJQDCCDKV-IBGZPJMESA-N 442.493 1.988 0 40 IDAB COc1ccc(-n2nnc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)cnc32)cc1 9857668 JIWARPMZXRWFOT-UHFFFAOYSA-N 434.412 1.031 0 40 IDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 11858233 GQXNVTRAICCEDO-LBPRGKRZSA-N 438.483 1.587 0 40 IDAB Cn1nccc1C(=O)C1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1 12156175 IOMTWWULOOUSEK-UHFFFAOYSA-N 432.546 1.346 0 40 IDAB O=C1COc2ccc(C(=O)C3CCN(C(=O)Cc4n[nH]c(=O)c5ccccc45)CC3)cc2N1 12185720 VUUCZSYYCWZIOO-UHFFFAOYSA-N 446.463 1.918 0 40 IDAB COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)N1CCCCC1)c(=O)n2-c1ccccc1 12445441 XFHMFNPJIYVUMN-UHFFFAOYSA-N 436.468 1.655 0 40 IDAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@H]1COc2ccccc2O1 12698928 MHZDPLMHWLFITE-RUJXFNLJSA-N 444.509 1.677 0 40 IDAB COc1ccc(NC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)c(OC)c1 18667889 ZWAFKLRTYVGSNH-GFCCVEGCSA-N 440.547 1.540 0 40 IDAB CN(C)c1ncc(C(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)cn1 19585438 ANBJHPBISDSXLV-BTYIYWSLSA-N 431.443 1.336 0 40 IDAB O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 23140900 FAMRHZIDKVWCMT-UHFFFAOYSA-N 438.531 1.846 0 40 IDAB CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1 32579338 QTWMZENABCXDIV-UHFFFAOYSA-N 437.953 1.875 0 40 IDAB Cc1ccc(CNC(=O)c2nnc(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)s2)cc1 32770481 DVTADUKFBLHKRU-KRWDZBQOSA-N 429.546 1.600 0 40 IDAB Cc1cc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)CC2)no1 48365532 UZUYQQXTJQIPPF-UHFFFAOYSA-N 432.502 1.796 0 40 IDAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2=O)cc1 59405494 PYCKJUJWKZZJLD-XMMPIXPASA-N 440.544 1.832 0 40 IDAB C[C@H]1CN(c2ccccc2NC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 65535246 APBUAPMFJPLGFK-OWCLPIDISA-N 438.550 1.115 0 40 IDAB O=C1C[C@H](C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CCN1 84405342 RQMIJJGHYNKKCX-CYBMUJFWSA-N 431.470 1.723 0 40 IDAB Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 95404914 APGXSNQTSZPGJG-QFIPXVFZSA-N 440.544 1.410 0 40 IDAB CN(C)c1nc(N2CCOCC2)nc2c1CCN(S(=O)(=O)c1ccccc1F)CC2 96083911 QNIIUCMHVYKYKG-UHFFFAOYSA-N 435.525 1.308 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-n2cncn2)nn1 96097830 RTLAMPWSQLMHRR-UHFFFAOYSA-N 428.459 1.567 0 40 IDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 103375261 XIEJGDRMSRFXRB-OALUTQOASA-N 442.516 1.997 0 40 IDAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1CCc1ccccc1 105631498 JNWYNKWSJAFMHP-HXUWFJFHSA-N 427.526 1.363 0 40 IDAB COc1cccc(OC[C@@H](O)CN(C)S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)c1 257342485 ZOWASZVJNVBRIL-LBPRGKRZSA-N 435.458 1.110 0 40 IDAB COc1ccc(S(=O)(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1NC(C)=O 575425957 JQMRVHZHULUMNF-CQSZACIVSA-N 442.515 1.625 0 40 IDAB Cn1cc(C(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)c(C(F)F)n1 585101147 IUNQQMFNVJRWEP-FQEVSTJZSA-N 432.431 1.820 0 40 IDAB CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)CC1 610727342 NOIXPVHZURRBNR-WIYYLYMNSA-N 426.565 1.374 0 40 IDAB CC(C)CC(=O)N1CCCN(C(=O)Cc2cnc(O)nc2O)CCNCc2ccccc21 643557791 ZQMHTODIQCQEQB-UHFFFAOYSA-N 441.532 1.832 0 40 IDAB CC(C)c1ncnc(N(C)[C@@H]2CCCN(C(=O)Cn3cnc4ncccc4c3=O)C2)c1F 1888897030 LADWOIMGLIUBPA-OAHLLOKOSA-N 439.495 1.971 0 40 IDAB COc1ccccc1OC[C@@H](O)Cn1c(=N)n(CCN2CCOCC2)c2ccccc21 809651 DOXBCNGHOKZNIB-SFHVURJKSA-N 426.517 1.703 0 40 IDAB COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@]1(O)C(=O)OC[C@@]1(O)C2 4720838 DPEYSAOEFZKBPG-AJSBUHFISA-N 446.452 1.437 0 40 IDAB biogenic O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccco1 9747000 UKIGZXUIBHKPBF-AWEZNQCLSA-N 425.532 1.707 0 40 IDAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(Cl)cc2)C1 10385481 IJFOBQWRHHJLIO-HIFRSBDPSA-N 447.923 1.753 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 11367871 MRMTXHHLDCJDSV-MRXNPFEDSA-N 427.523 1.494 0 40 IDAB CN(C)S(=O)(=O)N1CCN(C(=O)Cn2c(-c3ccc(F)cc3)cc3cccnc32)CC1 12144014 PFWHFKMMEUPIFW-UHFFFAOYSA-N 445.520 1.793 0 40 IDAB O=C(CSc1nccn1-c1cccc(F)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 12540137 PVDGSNJQFHJDDH-KRWDZBQOSA-N 438.550 1.435 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nnc4nc(C)cc(C)n34)CC2)cc1 12773198 NCMIJUHTQJPEKB-UHFFFAOYSA-N 442.545 1.767 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2ccc(OC)cc2)c(=O)[nH]c1=O 13041863 WMLRYAGOJZOISV-UHFFFAOYSA-N 438.484 1.550 0 40 IDAB C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16010091 PWWIMLJAYVPOBC-RKSLUDBYSA-N 443.862 1.781 0 40 IDAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccccn2)c2ccco2)cc1 17043306 VHIAZDGHDWUHDX-IBGZPJMESA-N 427.482 1.931 0 40 IDAB Cc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)c1 19234762 KNPNXTDHYXBTTO-IBGZPJMESA-N 444.557 1.692 0 40 IDAB Cc1cnc(C(=O)N2CCO[C@@H](c3c(C(=O)N(C)CCO)sc4ncccc34)C2)cn1 19702718 VVSMVONOZKUHCF-MRXNPFEDSA-N 441.513 1.673 0 40 IDAB CCOc1ccc(-n2c(=O)[nH]c(O)c([C@H]3NCCc4cc(OC)c(OC)cc43)c2=O)cc1 20113894 GSVXWGPGZDCDBV-FQEVSTJZSA-N 439.468 1.882 0 40 IDAB biogenic CN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N(C)CCc2ccccc2)cc1 20465773 BXHRPRORXMTHAC-WZYRSQIMSA-N 427.545 1.146 0 40 IDAB biogenic,in-vitro C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccccc1CN1CCOCC1)C2=O 23673912 CVZVQAFIRWGZSI-SBUREZEXSA-N 428.533 1.636 0 40 IDAB O=C(COc1ccc(N2CCCC2=O)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1 24777092 FOCIWUVIMSUDHY-UHFFFAOYSA-N 447.499 1.517 0 40 IDAB COc1c2c(c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c3c1OCO3)CCN(C)C2 40309991 ACVLNBZZRODKQF-UHFFFAOYSA-N 445.541 1.923 0 40 IDAB biogenic COC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(SC)ncc1Cl 41156306 XEBZQHJVQMTHKG-AWEZNQCLSA-N 436.921 1.872 0 40 IDAB Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4ccc(=O)n(C)c4)CC3)cccc2c1 48237932 SEQNSXXNBWRKJQ-UHFFFAOYSA-N 426.498 1.389 0 40 IDAB COc1cc(NC(=O)NCc2cccnc2-n2cncn2)c(C(=O)N(C)C)cc1OC 48276264 ZCKDKKYNPLHKTO-UHFFFAOYSA-N 425.449 1.703 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)Nc2cccnc2)CC1 56938984 MRJVCDXXWGTJOY-SFHVURJKSA-N 432.550 1.015 0 40 IDAB C[C@H](C(=O)NCCn1nc(-c2ccccc2)ccc1=O)n1nc(-n2cccn2)ccc1=O 70655916 BOWHTGDOFMOXAO-MRXNPFEDSA-N 431.456 1.030 0 40 IDAB COc1ccc(-c2[nH]ncc2C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 72329286 WMHCBHNVFNSBRP-UHFFFAOYSA-N 430.486 1.714 0 40 IDAB CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)CC4CCCC4)CC3)n2)CC1 72335888 SVZMAXCZPIFMHW-UHFFFAOYSA-N 449.621 1.918 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)CN2CCC(c3nn(C)c(=O)n3C3CC3)CC2)n1 77154499 QKGGLOYWNTWCSS-UHFFFAOYSA-N 448.549 1.297 0 40 IDAB COc1cc(/C=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1O 89426920 LOXZYBOYPGOVRE-XDHOZWIPSA-N 436.446 1.776 0 40 IDAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@H](O)c4ccc5c(c4)CCO5)cc1c32 90610677 DUFCGTNFYFJYME-YJYMSZOUSA-N 435.480 1.806 0 40 IDAB COC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c1 95449602 QEIMOIFGADDCIQ-LBPRGKRZSA-N 438.441 1.846 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccccc1Oc1ccccc1 95956107 AZBGFSYBFDCPTL-UHFFFAOYSA-N 438.528 1.894 0 40 IDAB O=C(c1ccncc1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 96056175 BFQSFLYOEPOLDT-CVDCTZTESA-N 436.516 1.089 0 40 IDAB CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2ccc(S(N)(=O)=O)c(F)c2)n1 97163015 AFVJKUWHAXBOPW-GFCCVEGCSA-N 428.442 1.832 0 40 IDAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1O2 248127462 MCRDORIAGVSXFF-AQOAWAETSA-N 449.573 1.126 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN1CCCCCC1 408703222 PWSSIWZFLXAMNQ-UHFFFAOYSA-N 425.551 1.322 0 40 IDAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)c1=O 575614685 BAHDXKWDHMUWGD-UHFFFAOYSA-N 446.451 1.628 0 40 IDAB Cc1nc(-c2ccc(S(=O)(=O)NCC3CCN(S(=O)(=O)N(C)C)CC3)cc2)co1 575616000 NBOHVWCTDPROEP-UHFFFAOYSA-N 442.563 1.447 0 40 IDAB CC(C)CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)Cc1ccc(F)cn1)C2 585101561 MNZWUZOOQGTARF-JOCHJYFZSA-N 428.512 1.473 0 40 IDAB Cn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cc(F)cc(F)c5)C[C@H]4C3)ncnc21 1888930367 XSGKQTMPQXGWNE-OKILXGFUSA-N 434.472 1.540 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-n3cccn3)cc2)cc1 1888994481 KPEWAUNURQPARQ-IBGZPJMESA-N 440.481 1.538 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)c(C)c1 3378692 NIOMINHWBZFKMT-UHFFFAOYSA-N 426.498 1.687 0 40 IDAB O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 3531345 DTXWYOQXVVOUHA-QGZVFWFLSA-N 439.493 1.999 0 40 IDAB CCN(CC)CCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C)C(=O)NCc1ccccc1 6511782 VLNOBGSXNIAZDZ-AWEZNQCLSA-N 446.577 1.313 0 40 IDAB CC(C)CN(C(=O)CN(C)C(=O)CC1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 6529455 MQEUSLHTNGSTGZ-UHFFFAOYSA-N 435.569 1.803 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CN3CCC(C)CC3)C2)cnn1C 6921758 LGWUUUPUHWVZJA-FUHWJXTLSA-N 425.599 1.366 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)N1CCC(c3nc4ccccc4s3)CC1)c(=O)n2C 9058201 MOOFFTOKCKGEJY-UHFFFAOYSA-N 438.513 1.450 0 40 IDAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)[C@@H]2COc3ccccc3O2)c(=O)[nH]c1=O 9125975 YPASSYFLDXZCTG-KRWDZBQOSA-N 440.456 1.885 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCO3)c(=O)n2Cc1ccccc1 9315030 FILFEPXYFNCGAX-UHFFFAOYSA-N 447.451 1.795 0 40 IDAB COCCNC(=O)CSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)s1 9517899 UFJGAQQDDKZNOH-CYBMUJFWSA-N 449.558 1.693 0 40 IDAB Cc1cc(-n2c(C)cc(C(=O)Cn3c(Cl)nc4c3c(=O)n(C)c(=O)n4C)c2C)no1 9546835 DRWIIQAPKLHRTA-UHFFFAOYSA-N 430.852 1.674 0 40 IDAB Cc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 9569903 YFXMSJDSTVGSKM-UHFFFAOYSA-N 435.521 1.781 0 40 IDAB CCCn1c(N)c(N(CCOC)C(=O)CN2c3ccccc3CC[C@@H]2C)c(=O)[nH]c1=O 9647722 AJCAOOKNQQHEHL-HNNXBMFYSA-N 429.521 1.350 0 40 IDAB COc1ccc(CCNC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 9806075 HDTLLQKFDDJEBI-GOSISDBHSA-N 445.541 1.323 0 40 IDAB COc1ccc(Cl)cc1NCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 10108894 NNCBONNRTOLQKR-LBPRGKRZSA-N 445.911 1.965 0 40 IDAB COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(O)c(OC)c1 10273363 AYWVTOONSPCCTH-IBGZPJMESA-N 446.481 1.964 0 40 IDAB Cc1c(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 12786761 PLUXXDBIKXXMNK-SFHVURJKSA-N 433.468 1.586 0 40 IDAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12880362 CJZDWWVWXCKYAQ-LJQANCHMSA-N 444.601 1.679 0 40 IDAB COc1ccccc1-n1nnnc1SCC(=O)Nc1oc(C)c2c(C)n[nH]c(=O)c12 13021391 RTYJLHUWGZTGCD-UHFFFAOYSA-N 427.446 1.848 0 40 IDAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1ccccc1 13548349 GNXSDTZKJJOENM-MJGOQNOKSA-N 429.542 1.908 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)O)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 13635696 RODJLRSHNODURA-UHFFFAOYSA-N 429.285 1.966 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCCCN1CCC(C)CC1)c1ccc2c(c1)OCCO2 13668993 AXUZKGKTCKQMCP-UHFFFAOYSA-N 439.578 1.852 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(CS(C)(=O)=O)cc1 14697119 KOEYVSSYSNAYPD-UHFFFAOYSA-N 426.516 1.742 0 40 IDAB CC(C)(C)c1cc2nc([C@@H]3CCN(C(=O)COCCN4CCCC4=O)C3)cc(O)n2n1 19084230 NUPIDKXRKPRFTG-OAHLLOKOSA-N 429.521 1.687 0 40 IDAB CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 19572161 NDTHNMIJLDXMLD-UHFFFAOYSA-N 449.504 1.665 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 19690088 OXTFROKIZWQNEW-IBGZPJMESA-N 446.511 1.985 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CN(C(=O)c3ccccn3)CCO2)n1 19694948 FTHFUXQGRXBYQP-IBGZPJMESA-N 432.484 1.917 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)NC[C@H]1CCCO1 22228437 QCDLPZOOMBTDGT-GOSISDBHSA-N 437.562 1.252 0 40 IDAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCOCC2)cc1 22503295 OHMALYGTOKXHIE-OAHLLOKOSA-N 448.497 1.900 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3cc(OC)ccc3OC)C2=O)cc1 26394302 RIMIXZQRXIVMIQ-JOCHJYFZSA-N 427.457 1.796 0 40 IDAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)NCCc1ccc(F)cc1 29141716 CUUDAQJMDBEVPM-OAQYLSRUSA-N 427.476 1.611 0 40 IDAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 32865595 QSMUUHDVAJCVOI-VMPITWQZSA-N 438.406 1.392 0 40 IDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)COc2ccc(Br)cc2)c1 32910257 SIYVYBXXXSGINE-UHFFFAOYSA-N 443.275 1.657 0 40 IDAB CC(C)C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 34275142 PJEZJOIEKAFKQW-QGZVFWFLSA-N 435.521 1.902 0 40 IDAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC4(CC2)NC(=O)c2ccccc2N4)[C@@H]3C1=O 36718882 AWZHXMWLVAQTSR-ISJRUSPKSA-N 436.512 1.351 0 40 IDAB O=C(NCc1ccc(-n2cncn2)nc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 40107056 DOGCEPYAOGBJTH-SJORKVTESA-N 426.477 1.261 0 40 IDAB CC(C)c1noc(CCCC(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)n1 48333507 FRVTZPXBDPWZJG-UHFFFAOYSA-N 427.571 1.781 0 40 IDAB O=C(CN1CCN(C(=O)Cn2ccc3cc(Br)ccc32)CC1)N1CCOCC1 71279395 RSVVARJZMGPYAN-UHFFFAOYSA-N 449.349 1.407 0 40 IDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccccc1N1CCOCC1 72334602 KHEDMVVOOILFBR-NHJWOMDBSA-N 425.533 1.710 0 40 IDAB COc1cccc(NC(=O)[C@H]2Cn3ccnc3C3(CCN(S(=O)(=O)C4CC4)CC3)O2)c1 96144642 FBPUBZRCXAXQRW-GOSISDBHSA-N 446.529 1.713 0 40 IDAB Cn1cc(CN2C[C@@H]3CN(C(=O)N4CCCC4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 96251506 PBLBCDOWUXGGEK-OFNKIYASSA-N 444.580 1.009 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)s1 222837250 SQMGMRSTUBPLTD-SECBINFHSA-N 448.523 1.736 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 247816698 GECBPMWPXOXFKH-ZQAYVECASA-N 437.452 1.182 0 40 IDAB O=C(NC(CO)CO)[C@H]1OCC(=O)N(Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 257303447 SHGZFEFJIQTQLV-UXHICEINSA-N 436.867 1.417 0 40 IDAB CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)N(C)C)c1 257311640 UKJZXGAIMNNKHK-MRXNPFEDSA-N 437.497 1.526 0 40 IDAB CN1CCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)[C@@H](c2ccccc2)C1 525632877 PSDSMPVURVGCJA-HXUWFJFHSA-N 429.542 1.677 0 40 IDAB CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 575420477 BYGBJVLMYFQVEK-IBGZPJMESA-N 434.539 1.824 0 40 IDAB O=C(O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 1325604 HPLAMTNTTKJDPW-UHFFFAOYSA-N 430.548 1.783 0 40 IDAB Cn1c(=O)n(CC(N)=O)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1 2216937 BNKILEJEZKRACA-UHFFFAOYSA-N 446.467 1.716 0 40 IDAB COc1cc(NC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc(OC)c1 3296964 GGWQDXNRGGGQNJ-CMDGGOBGSA-N 434.470 1.776 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 3446942 CUAQMIPJLBURJL-UHFFFAOYSA-N 425.532 1.648 0 40 IDAB COCCn1cnc2c1c(=O)n(CC(=O)Nc1c(C)cccc1C)c(=O)n2CC(C)C 5188682 NUYUHHPYZBYHBR-UHFFFAOYSA-N 427.505 1.918 0 40 IDAB COc1ccc2c(C)c(CC(=O)NCCNC(=O)c3ccncc3)c(=O)oc2c1OC 8764883 SUMIDVKOAJXHHS-UHFFFAOYSA-N 425.441 1.602 0 40 IDAB biogenic Cn1c(=O)[nH]c(=O)c2c1nc(SCCO)n2C[C@H](O)COc1cccc2ccccc12 8809357 XFVHRQYSBUFSPR-AWEZNQCLSA-N 442.497 1.101 0 40 IDAB COc1ccc(CCNC(=O)C(=O)N[C@@H]2C(=O)N(C(C)C)c3ccccc32)cc1OC 9133988 GIUJARYHFUTRAN-FQEVSTJZSA-N 425.485 1.975 0 40 IDAB CC(C)CN(C(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1)[C@H]1CCS(=O)(=O)C1 9316724 OGZDSEZSBFAXMX-KRWDZBQOSA-N 449.529 1.384 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2F)cc1 9806282 UMGYQVAZGIDUSY-QGZVFWFLSA-N 433.505 1.720 0 40 IDAB C[C@@H](C(=O)N1CCN(C=O)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 10283909 FUCKROSXBAAYHW-KRWDZBQOSA-N 431.514 1.934 0 40 IDAB COC(=O)[C@H](CSC[C@H](NC(=O)c1ccccc1)C(=O)OC)NC(=O)c1ccccc1 12862752 OEFFFEWEQXAIFM-ROUUACIJSA-N 444.509 1.663 0 40 IDAB biogenic CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCCc2c1cnn2C 12974635 XGEDWBRVRMTMJQ-OXQOHEQNSA-N 448.545 1.688 0 40 IDAB COCCOc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C(=O)O)cc1OC 13453708 RGZYKPKBECEMRE-UHFFFAOYSA-N 436.442 1.714 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)NCc3ccncc3)CC1)CNC2=O 19562812 RIRKBNDRGNLEQR-HSZRJFAPSA-N 438.484 1.280 0 40 IDAB COCCNC(=O)c1cc([C@H]2CCN(C(=O)Cn3cccnc3=O)C2)nc2ccccc12 19761596 DTVACRVHXYSDPE-INIZCTEOSA-N 435.484 1.184 0 40 IDAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2Cc2c(C)n(C)c(=O)n(C)c2=O)nc1C 19765526 XWLGCWGOFJTLIM-LJQANCHMSA-N 442.564 1.700 0 40 IDAB O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCN(CCOc2ccccc2)CC1 22094960 PXSDJOJOGSWTJQ-UHFFFAOYSA-N 440.529 1.683 0 40 IDAB O=c1[nH]c(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc2sc(-c3ccccc3)cc12 22927177 UBPRSQMCXMQBNT-INIZCTEOSA-N 444.582 1.956 0 40 IDAB CN(CC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1)S(=O)(=O)c1ccccc1 25114024 NXVVPJBMZFCISP-UHFFFAOYSA-N 434.493 1.823 0 40 IDAB O=C1N[C@H](C(=O)N2CCN(Cc3ccccn3)CC2)CS[C@H]1Cc1ccccc1F 32823375 CJAYATVHYPAZTB-PMACEKPBSA-N 428.533 1.708 0 40 IDAB Cc1cccc(N2C(=O)[C@H]3[C@@H](C(=O)NC4CC4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCC2)c1 33939990 URIUFZZOHPBRSB-JFHULYJISA-N 435.524 1.987 0 40 IDAB CC[C@@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 35326187 SMAIETFYDOXFJV-KRWDZBQOSA-N 431.928 1.367 0 40 IDAB C[C@@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 36384494 RPEJQWZHUSKURT-AWEZNQCLSA-N 435.468 1.902 0 40 IDAB CC(C)OCCOC[C@@H](O)CN(C)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 72309670 LBVYXYLZYRBHRB-SFHVURJKSA-N 425.530 1.208 0 40 IDAB COc1ccc(S(=O)(=O)C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1 96099614 RFMIULQRFZZCBW-UHFFFAOYSA-N 444.575 1.132 0 40 IDAB CN(C)S(=O)(=O)c1cccc(COC(=O)[C@@H]2CCN2S(=O)(=O)c2ccccc2)c1 97133799 GBWHKKPARZDDJM-SFHVURJKSA-N 438.527 1.443 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(S(N)(=O)=O)ccc21 100876609 BCJKEZSNHYSLNO-ZZEZOPTASA-N 435.483 1.273 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2ccc(OCC)cc2)S(C)(=O)=O)CC1 220666815 QVNOKBHKVHWRJS-GOSISDBHSA-N 441.550 1.931 0 40 IDAB Cc1ccc(CN(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 224587872 PMFQOHRIXXDJLI-UHFFFAOYSA-N 445.585 1.905 0 40 IDAB COCCN1CCC[C@]2(CN(C(=O)c3ccn(C)n3)C[C@H]2c2ccnn2C(C)C)C1=O 306142328 WWCSVQKRNRHJSN-HTAPYJJXSA-N 428.537 1.692 0 40 IDAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(Br)cc1 408661788 OLKCFQQGIVSBOD-BNBDDXAPSA-N 433.258 1.738 0 40 IDAB COc1cnc(C(=O)N2CCC3(CC2)OCCn2c(CN(C)CC4CC4)cnc23)nc1 1565555881 RLZBXRDCBAZIIB-UHFFFAOYSA-N 426.521 1.685 0 40 IDAB COCC(=O)N1CCN2CC(=O)Nc3cc(-c4cccc(OC)c4)ccc3OC[C@H]2C1 1772594770 SLFFTPDNPOWZLI-GOSISDBHSA-N 425.485 1.852 0 40 IDAB Cc1cc(CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)nc(C2CCNCC2)n1 2037879778 PLRUWUGDCJGGDG-YJBOKZPZSA-N 433.553 1.305 0 40 IDAB CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1 8637313 AQNKTIBMAUEPDI-LJQANCHMSA-N 441.484 1.320 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)n(C)c1=O 9245509 VZTMJPCZGHPJRP-KRWDZBQOSA-N 431.452 1.601 0 40 IDAB Cn1cnc2c1c(=O)n(CCCSc1nnc(NC[C@@H]3CCCO3)s1)c(=O)n2C 9338105 VEMLTBUFCLURLM-NSHDSACASA-N 437.551 1.059 0 40 IDAB CCCn1c(N)c(N(CCOC)C(=O)CN(C)[C@H]2CCCc3ccccc32)c(=O)[nH]c1=O 9602925 KXTCPFZUAXHJSG-SFHVURJKSA-N 443.548 1.518 0 40 IDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1=O 9666546 VOJFAEVNTVSPJB-QRWLVFNGSA-N 431.470 1.267 0 40 IDAB CCOCCn1c(=O)c2c(nc3n(-c4cc(OC)ccc4OC)c(C)cn23)n(C)c1=O 9713102 IQBUMYJVADGCFT-UHFFFAOYSA-N 427.461 1.501 0 40 IDAB O=S(=O)(NCCNc1ccc(Nc2cccnc2)nn1)c1ccc2c(c1)OCCO2 11796898 WFAPRWWCPPRPRK-UHFFFAOYSA-N 428.474 1.777 0 40 IDAB OC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O 13611539 TUGMXIURLRAWSS-UMCMBGNQSA-N 447.495 1.682 0 40 IDAB COc1ccc(CCNC(=O)CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1OC 13690257 LQGOSDOBFAOGCE-UHFFFAOYSA-N 438.484 1.348 0 40 IDAB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(N2CCCC2=O)cc1 14068380 IDHYRESLYZPVTJ-UHFFFAOYSA-N 445.497 1.892 0 40 IDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 14518247 MROJAWPVLXWBLG-QRVBRYPASA-N 432.542 1.768 0 40 IDAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)CCn2ncc3ccccc3c2=O)CC1 19573630 OCRCHVYJLMRHQL-UHFFFAOYSA-N 440.525 1.991 0 40 IDAB Cc1ncc(C(=O)N2CCO[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)c(C)n1 19762865 IFUSAOLZWLHXFA-JOCHJYFZSA-N 449.511 1.920 0 40 IDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 29363211 LXEFWTFHHFNTAP-RXVVDRJESA-N 442.560 1.963 0 40 IDAB CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 32826345 APJCEBSJNZWWCM-UKRRQHHQSA-N 429.336 1.443 0 40 IDAB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cn(CC(N)=O)c4ccccc34)C2=O)cc1 33389813 PXOWLUHDPBOUED-ZDLGFXPLSA-N 447.451 1.667 0 40 IDAB COCCCn1c(C(=O)NCCCN2CCOCC2)cc2c(=O)n3cccc(C)c3nc21 33558363 YQSIULMNBMSYQJ-UHFFFAOYSA-N 441.532 1.446 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cc3c(cc2Cl)OCCO3)C[C@H](C)O1 65575615 TVPBVICOEOHNTK-RYUDHWBXSA-N 433.914 1.672 0 40 IDAB CCOC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 72334305 YCCCPRQREJUUFK-JXQFQVJHSA-N 437.496 1.139 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1 77101310 FZPJQBVCCLPAQD-UHFFFAOYSA-N 430.486 1.498 0 40 IDAB COC(=O)[C@@H](CN1CCN(Cc2ccccc2)CC1)[C@@](O)(c1nccn1C)C(F)(F)F 97003103 KWGYCQSTEKBKHR-YLJYHZDGSA-N 440.466 1.777 0 40 IDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)NCc1ccccc1 100889064 KHPFJWDFRAKKES-UHFFFAOYSA-N 444.484 1.740 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc6c(c5)OCO6)no4)[C@@H]3C2=O)cc1 101274908 BVSFBAGGHJTHRS-ROUUACIJSA-N 448.395 1.967 0 40 IDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3c(C)nn(C)c3C)c(=O)n12 105544028 QWJJUGWLQHRWNT-PJBKAMTFSA-N 438.509 1.209 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1 223130877 HUTOKBHOBXAVRA-UHFFFAOYSA-N 445.541 1.755 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 225197958 JLRWWCORCXHTKC-MRXNPFEDSA-N 433.530 1.625 0 40 IDAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)cc2)c1 408593112 MMAAVYQYTQMDCP-UHFFFAOYSA-N 447.557 1.931 0 40 IDAB CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc(C(=O)NCCC(=O)O)cc3)cc21 522882340 WMYGZNVOBADTQI-UHFFFAOYSA-N 445.497 1.991 0 40 IDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1S(=O)(=O)C(F)F 575606906 GXOGTEMZSVSQDP-ZDUSSCGKSA-N 436.502 1.064 0 40 IDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 617976387 YSFVRINHZHYRIZ-MSOLQXFVSA-N 437.562 1.234 0 40 IDAB CCCOC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)sc(C(N)=O)c1C 2803917 NAPXWOKKOKBBFI-UHFFFAOYSA-N 431.536 1.332 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C4CC4)o3)cc2)CC1 8684029 DHPNILFNRGTKHL-UHFFFAOYSA-N 449.489 1.662 0 40 IDAB C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)NC1CCCC1 9128176 GCIIACRNQDNHED-ZDUSSCGKSA-N 428.482 1.451 0 40 IDAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@]12C(=O)Nc1ccccc12 9189942 PDBRRUIOLAGAFM-NPMABZOXSA-N 437.452 1.310 0 40 IDAB CCCCn1c(=O)c(CCC(=O)OCC(=O)NC(=O)NCCOC)nc2ccccc21 9493267 KYPGGRLNSHEFKR-UHFFFAOYSA-N 432.477 1.145 0 40 IDAB C[C@@H](NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)c1ccc(S(N)(=O)=O)cc1 9638310 OCRNRCDAOKIUMP-OKFGHLOFSA-N 437.543 1.492 0 40 IDAB CCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(CS(=O)(=O)NC)cc3)CC2=O)cc1 12847242 VBOKHOCGYXSDPL-SFHVURJKSA-N 445.541 1.804 0 40 IDAB COc1cc(/C=C/C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1OCC(N)=O 12998705 HYFVJMWRZXXGTG-RKXVYHDYSA-N 447.513 1.440 0 40 IDAB COc1cc(OC)cc([C@@H]2C[C@H](OC(=O)Cn3ncc4ccccc4c3=O)C(=O)N2C)c1 13566050 BADQUUIKMHJQJZ-PMACEKPBSA-N 437.452 1.929 0 40 IDAB CCN(C(=O)[C@H](C)OC(=O)c1c(NC(C)=O)sc(C)c1C)[C@H]1CCS(=O)(=O)C1 14249426 YWYKHVPDFJCYSA-FZMZJTMJSA-N 430.548 1.904 0 40 IDAB O=C(CN1CCOCC1)N1CCN(Cn2nc(/C=C/c3ccccc3)[nH]c2=S)CC1 14255399 FHNIROVCVRVVKX-VOTSOKGWSA-N 428.562 1.545 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 16048051 QCNJZMLSTPZYLV-HNNXBMFYSA-N 431.470 1.500 0 40 IDAB COCCN(C(=O)CN1C[C@@H](C)C[C@@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 16475111 NIDZFJWELBEIGY-CALCHBBNSA-N 443.548 1.124 0 40 IDAB COCCCN[C@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)O 16740603 VVKJXNRVAKNQCJ-CQSZACIVSA-N 442.519 1.352 0 40 IDAB O=C(Cc1cccc(F)c1)N1CCN(S(=O)(=O)c2cnoc2-c2cccnc2)CC1 19293730 RNXWXTIOBLTACP-UHFFFAOYSA-N 430.461 1.951 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 22798278 LYYHJWJRFNEDFI-IBGZPJMESA-N 433.530 1.691 0 40 IDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)NCc1ccc(CN2CCOCC2)cc1 23731283 LCUOGOZQFJTJNF-UHFFFAOYSA-N 426.517 1.186 0 40 IDAB CCN1C(=O)/C(=c2/s/c(=C3\Sc4ccccc4N3C)c(=O)n2CC)N(C)C1=S 29747391 DBWDKBZIISSMGQ-JTFWXBGUSA-N 432.596 1.425 0 40 IDAB C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)CC2=O)[C@@H]1C 32745149 NDDRUJYRSUTKHP-JEWRLFTDSA-N 438.546 1.929 0 40 IDAB CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 72260159 PXBLBCAXGYXVJM-UHFFFAOYSA-N 430.896 1.184 0 40 IDAB O=C1NC(=O)[C@]2(CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)C2)N1 72290897 WBFPLCBVKNLGCL-FDDCHVKYSA-N 436.468 1.335 0 40 IDAB COCCNC(=O)CN1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352314 OQXNFTYUXCKDJE-INIZCTEOSA-N 431.558 1.926 0 40 IDAB Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 95476003 SDRZKCROAHFAQO-VMPITWQZSA-N 438.572 1.754 0 40 IDAB COc1ccc(Br)c(C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)c1 96104189 VWEMYEXAEIGMOJ-UHFFFAOYSA-N 443.323 1.665 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 223968056 FYBNEUKMMAZDCD-UHFFFAOYSA-N 435.502 1.331 0 40 IDAB C[C@@]1(O)CCN(C(=O)c2cccc(Cn3ccnc3)c2)C[C@H]1n1cnc2c(N)ncnc21 257217981 DBKFEHQNKMWLNK-VGOFRKELSA-N 432.488 1.492 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 408598057 ZECVLLHEMCWJAW-MRXNPFEDSA-N 433.530 1.719 0 40 IDAB CCOC(=O)[C@H]1CN(Cc2ccco2)C[C@@H]2CN(C(=O)c3nnsc3C)CCN2C1 585108157 HCHAGHPJNMPHSY-JKSUJKDBSA-N 433.534 1.261 0 40 IDAB Cn1cc(-c2ccc3c(c2)NC(=O)CN2CCN(C(=O)C4CCOCC4)C[C@H]2CO3)cn1 1772594686 SOKQWQCJVUMUER-IBGZPJMESA-N 439.516 1.357 0 40 IDAB CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)CC1 2362803086 DANIYVQIRXOIKI-KRWDZBQOSA-N 428.489 1.505 0 40 IDAB O=C(Nc1cc(Cl)ccc1-n1cncn1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12813608 DHLKEIPMZYXHTA-LBPRGKRZSA-N 436.881 1.025 0 40 IDAB CC[C@H](C)[C@H](NC(=O)N1CCN(C(=O)N[C@H](C(=O)OC)[C@H](C)CC)CC1)C(=O)OC 13575975 GCNHBHXKPVRWGP-FZKCQIBNSA-N 428.530 1.199 0 40 IDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1nn(C)c(=O)c2ccccc12 18094694 ZOBSDSVDSIPFEQ-UHFFFAOYSA-N 436.468 1.734 0 40 IDAB CCN1CCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2cc(Cl)ccc2N3)CC1 19527864 QKOUUJQPUKUSDF-OAQYLSRUSA-N 433.940 1.368 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccc(F)cc4F)C3)[nH]c(=O)c2C1 19572726 DVNPWMVKXRKTAU-CQSZACIVSA-N 438.500 1.745 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n(C)c1=O 19604520 HLUBMHOJZMAOFD-UHFFFAOYSA-N 427.848 1.664 0 40 IDAB CCNC(=O)c1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20758586 SGJMANOHDSNZJZ-SFHVURJKSA-N 436.472 1.727 0 40 IDAB biogenic CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(N3CCCC3)nc2)c1 22326562 ILZDWVDYSOMJAQ-UHFFFAOYSA-N 433.534 1.513 0 40 IDAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 25453105 KKORFAWJPWZZDE-UHFFFAOYSA-N 440.547 1.484 0 40 IDAB COc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)c(OC)c1 32615429 CTEPHAHTGHUAIC-UHFFFAOYSA-N 447.451 1.609 0 40 IDAB C[C@@H]1C[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C(=O)O1 32736516 ANQUOSHHTMNJCN-ACJLOTCBSA-N 439.486 1.496 0 40 IDAB COc1cc(OC)nc(NC(=O)COC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)n1 40024283 JCDCWLPCHUVSTJ-GOSISDBHSA-N 430.461 1.739 0 40 IDAB O=C(Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O)Nc1ccc(Cl)cc1F 49409367 JPRPIQGTIDPRRB-UHFFFAOYSA-N 429.857 1.300 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 58148337 CWCJJEYMCPUGLS-UHFFFAOYSA-N 447.521 1.810 0 40 IDAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1O2 72327806 MCRDORIAGVSXFF-RADWXHQJSA-N 449.573 1.126 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222908292 UDWKHQXHVREPAM-SFHVURJKSA-N 431.558 1.821 0 40 IDAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 223540787 PNDUCBXRVZOLFU-MRXNPFEDSA-N 443.525 1.775 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C3[C@@H]4CCCC[C@@H]34)C1)C2=O 248171382 SEVIJTKPJXZXAV-KZNAEPCWSA-N 444.576 1.983 0 40 IDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408589839 FUPFKHNYNCFLGO-HNNXBMFYSA-N 448.497 1.900 0 40 IDAB CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)NCCN1CCN(c2ncccn2)CC1 540433686 LYIQMTLUFSULDO-UHFFFAOYSA-N 447.561 1.219 0 40 IDAB C[C@H]1COCCCCC2(CCN(C(=O)COc3ccccc3)CC2)C(=O)N[C@@H](C)C(=O)N1 643565185 ULHDPSDBXFTEHZ-OALUTQOASA-N 445.560 1.884 0 40 IDAB CC(C)c1ccc(NC=c2c(=O)c(=O)c(=CNc3ccc(C(C)C)cc3)c(=O)c2=O)cc1 685944606 XKCFDGIDCLQXFT-UHFFFAOYSA-N 430.504 1.950 0 40 IDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCC(COc2ccc3nccn3n2)CC1 1888875945 QDXPSZCOGDPRDM-QGZVFWFLSA-N 427.505 1.374 0 40 IDAB Cn1c(N2C[C@@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@H]3C2)nc2ccccc21 1888896990 WAJGUFAVVNSIJD-IRXDYDNUSA-N 431.562 1.140 0 40 IDAB COc1cc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)cc(OC)c1OC 1888928894 CSYPKFUKJRANMM-GJZGRUSLSA-N 438.488 1.598 0 40 IDAB CC(C)CCN1C[C@@H]2C[C@H](NC(=O)NC(C)C)CN2C(=O)[C@@H]1CNC(=O)c1ccccc1 2332242224 SWBCLKDUSZBUDP-ACRUOGEOSA-N 443.592 1.824 0 40 IDAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCCC1)OCCO3 6445182 ADMGOFUADQNYAL-YWZLYKJASA-N 438.488 1.650 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)n(C)c1=O 9127906 FWUJZOLBPWHAMK-UHFFFAOYSA-N 435.469 1.677 0 40 IDAB Cn1c(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nnc1C1CC1 9257029 NGKXKBBHRRLMFU-NTEUORMPSA-N 447.586 1.930 0 40 IDAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1F 9284146 NRKLVEKYHAFQSP-UHFFFAOYSA-N 449.504 1.936 0 40 IDAB CCN(CC)C(=O)CSc1nc(-c2cccc(F)c2)nc2c1c(=O)n(C)c(=O)n2C 9517603 HAZJRXXQHXGCEF-UHFFFAOYSA-N 431.493 1.794 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 9540248 QRQYMXTXDYWYTR-UHFFFAOYSA-N 436.534 1.685 0 40 IDAB CC(=O)N1C[C@@H](C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)Oc2ccccc21 12845807 HSLYKJKGCRNNAZ-NRFANRHFSA-N 440.475 1.723 0 40 IDAB CC(=O)N1CCCN(CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 19017661 FQPGIZVEOBPENS-LJQANCHMSA-N 429.565 1.230 0 40 IDAB CC(C)S(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)[nH]c2=O)C1 19451096 WJNURIZCJYJLMI-SJORKVTESA-N 438.550 1.099 0 40 IDAB O=C(NCCO)c1sc2ncccc2c1[C@@H]1CN(C(=O)Cc2ccncc2)CCO1 19696391 VJIVWVKECVWWJL-INIZCTEOSA-N 426.498 1.556 0 40 IDAB COc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 22229134 SMFOPBZMGOZESX-UHFFFAOYSA-N 447.513 1.014 0 40 IDAB C[C@H](Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)C(=O)NC(=O)NC(C)(C)C 22419215 MPADCVBTCPFZKY-VIFPVBQESA-N 446.533 1.797 0 40 IDAB CC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc2ccccc2c1 23115285 XPHSDWOMZRNDQZ-QGZVFWFLSA-N 437.500 1.847 0 40 IDAB Cn1c(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)nnc1-c1ccco1 23882002 RMLDYYTVLYJZLF-LJQANCHMSA-N 426.458 1.666 0 40 IDAB Cc1cccc(N2C[C@H](C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)CC2=O)c1C 32745226 GBZRFUYPOBLOMB-MRXNPFEDSA-N 432.498 1.926 0 40 IDAB CCCCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 32945130 XLITZEKIKLDQGK-UHFFFAOYSA-N 440.518 1.318 0 40 IDAB CCCCn1c(=O)n(CC(=O)Nc2cc(C)ccc2OC)c(=O)c2c1ncn2CCOC 32957969 XSRYUGORMPUVKT-UHFFFAOYSA-N 443.504 1.762 0 40 IDAB O=C(NC[C@H]1CCCO1)c1nnsc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33435743 HGZQHCFOWDSHNS-HZSPNIEDSA-N 444.517 1.260 0 40 IDAB CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 34808367 FYEFTAXZMDGBPL-LRTDBIEQSA-N 444.484 1.701 0 40 IDAB biogenic CC(=O)c1ccc(N2CCN(CC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)c(F)c1 35310691 YJGOIHYFWSDSFI-UHFFFAOYSA-N 445.495 1.436 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CCCc3nnnn3-c3ccccc3)CC2)s1 48286871 ZXUXIXAOYPUHLE-UHFFFAOYSA-N 432.575 1.971 0 40 IDAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)n2)c(F)c1 49547017 SERWTHKECZDULB-IBGZPJMESA-N 425.416 1.870 0 40 IDAB O=C(NCCN1CCN(c2ccccc2F)CC1)C(=O)NCc1ccc2c(c1)OCO2 56997985 ZCQCRSBNVJJLMM-UHFFFAOYSA-N 428.464 1.109 0 40 IDAB COc1ccc([C@H](C)NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)cc1 57522457 RKEUEEBPTQHYFY-ZDUSSCGKSA-N 443.529 1.643 0 40 IDAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)cc1 59777514 VOZQYPGTALPSHP-UHFFFAOYSA-N 426.380 1.755 0 40 IDAB O=C(CN1CCN2CCCC[C@@H]2C1)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 72373052 BJXOSFRBEVEIIU-VQTJNVASSA-N 427.593 1.846 0 40 IDAB CS(=O)(=O)c1snnc1C1CCN(Cc2cn(CC(N)=O)c3ccccc23)CC1 72392482 SIINHSMJZQTFRF-UHFFFAOYSA-N 433.559 1.761 0 40 IDAB COc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2S(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 78899430 VKZOQLWQVNOQHQ-NVXWUHKLSA-N 444.575 1.517 0 40 IDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(N2CCCS2(=O)=O)cc1 101413322 WTDGQQPUGRYXCQ-KRWDZBQOSA-N 428.470 1.955 0 40 IDAB Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)CN(C)S(C)(=O)=O)cc1 222739407 LRGGYRHEVDKKGK-SFHVURJKSA-N 431.558 1.920 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)OCCO3)cc1 244998722 KQXGFDCPIQUGFJ-INIZCTEOSA-N 432.454 1.123 0 40 IDAB CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21CC(=O)c2ccccc2O1 248323263 XNEWTCWKDGAHAW-AOYSGUFSSA-N 426.469 1.327 0 40 IDAB Cc1cnc(CNC(=O)[C@@H]2CN(Cc3cccc(OCCO)c3)CC23CCOCC3)nc1 585101863 HEFQZIKSPZJZOZ-NRFANRHFSA-N 440.544 1.701 0 40 IDAB CN(C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1)S(=O)(=O)c1ccc2nc[nH]c2c1 1565522993 DOZCIQAMYKSUKY-UHFFFAOYSA-N 440.533 1.807 0 40 IDAB O=C1CN2CCN(C(=O)c3cnccn3)C[C@H]2COc2ccc(-c3cccnc3)cc2N1 1772594580 NHDYXMHUMUTWHZ-SFHVURJKSA-N 430.468 1.696 0 40 IDAB COC(=O)c1cccc(-n2nnnc2SCC(=O)NCc2ccc3c(c2)OCO3)c1 1361329 XWDNCEMWSNDIBV-UHFFFAOYSA-N 427.442 1.586 0 40 IDAB Cc1ccc(S(=O)(=O)[C@@H](C[C@@H](NC=O)S(=O)(=O)c2ccc(C)cc2)NC=O)cc1 1618085 DDTMEZWPGDNZMA-OALUTQOASA-N 438.527 1.085 0 40 IDAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(C(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)CC1)OC2=O 2137536 LHLRTIIKMVJLPU-LWSSLDFYSA-N 446.544 1.901 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)Nc1ccc(C(N)=O)cc1)c(=O)n2Cc1ccccc1 3431637 UYFZODGSJBWVJW-UHFFFAOYSA-N 446.467 1.166 0 40 IDAB CCCn1c(SCC(=O)Nc2nnc(C(C)C)s2)nc2c1c(=O)n(C)c(=O)n2C 4102862 HCRZKBPRQIPSEE-UHFFFAOYSA-N 437.551 1.549 0 40 IDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 8692402 KMIGOJRGJWYJRN-HNNXBMFYSA-N 439.534 1.482 0 40 IDAB CCN(C(=O)CCc1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10441338 LIKDWOUBHNWSGL-UHFFFAOYSA-N 436.468 1.882 0 40 IDAB COCCCn1c(C(=O)Nc2cccc(NC(C)=O)c2)cc2c(=O)n(C)c(=O)n(C)c21 11845193 KONAPYVTRJYWJO-UHFFFAOYSA-N 427.461 1.286 0 40 IDAB COc1cccc(N2C[C@H](C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2=O)c1 12553009 DCPPLPZBBMIHED-LJQANCHMSA-N 437.496 1.837 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CCSC)C(=O)O 12889519 PZDCDLRIQOKDII-IFIJOSMWSA-N 436.534 1.892 0 40 IDAB biogenic CCCn1c(N)c(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c(=O)n(C)c1=O 13109762 QWSNDZHLDQFWRJ-UHFFFAOYSA-N 440.529 1.972 0 40 IDAB C[C@@H]1c2cccn2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 13164494 ICVDDSWROULFTF-GOSISDBHSA-N 442.585 1.887 0 40 IDAB Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2)cc1 13688104 CEVOSYZYPKOCBS-LBXVMSDZSA-N 442.603 1.773 0 40 IDAB O=C1[C@H]2C3C=CC([C@H]2C(=O)N1Cc1cccnc1)[C@H]1C(=O)N(Cc2cccnc2)C(=O)[C@H]31 13777924 OROWPZZWTYLNEV-QLQTZTHHSA-N 428.448 1.195 0 40 IDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4c(C)nn5cccnc45)[C@H]3C2)cc1 19211787 TZCZKERABBRPDI-NJAFHUGGSA-N 425.514 1.785 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2S(=O)(=O)N2CCCC2)n1 19689726 YDDHDBOJOCTYDN-GOSISDBHSA-N 444.561 1.786 0 40 IDAB Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(CC(=O)N3CCNC3=O)CC2)n1 19756418 ANESLBMVQBUAEV-UHFFFAOYSA-N 438.532 1.156 0 40 IDAB c1ccc([C@@H]2N=C3NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)nc1 20567795 FVOLKPQFOHSUDI-OAQYLSRUSA-N 432.532 1.697 0 40 IDAB CCCc1nnc(S)n1CC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 22358658 CSIVCFGQQCMPBD-UHFFFAOYSA-N 430.578 1.919 0 40 IDAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCOCC2)cc1 23107433 LWBMXACTOUOFDU-IBGZPJMESA-N 441.484 1.595 0 40 IDAB C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1=O 23717402 SOWIAVRBKUIHBD-OAQYLSRUSA-N 432.546 1.160 0 40 IDAB COc1ccccc1NC(=O)c1nnsc1NC(=O)N1CCN(c2ncccn2)CC1 25184036 YXMVLRANRAASHC-UHFFFAOYSA-N 440.489 1.943 0 40 IDAB CCOc1cc(/C=C/C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)ccc1OC(F)F 25738261 MUUFDKJTACNWNY-SOFGYWHQSA-N 433.477 1.651 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 36353519 ZKQHXAFWFQEROZ-GOSISDBHSA-N 430.486 1.163 0 40 IDAB C[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccc(S(N)(=O)=O)cc1 36398091 COKHTYQNUPHFRN-INIZCTEOSA-N 432.546 1.727 0 40 IDAB NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cc(Cl)c4c(c3)OCO4)CC2)o1 48237631 FBACZABGKHASHZ-UHFFFAOYSA-N 427.866 1.267 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)Nc1ccc(F)cc1Cl 49410600 HGVUKCOKDWGFKX-UHFFFAOYSA-N 429.857 1.300 0 40 IDAB CC[C@H](C)NC(=O)CN1C[C@H](C(=O)N(CC)CC)[C@]2(CCc3ccccc3C(=O)N2)C1 72334387 TVAUSBHGNHRFCA-IQOKHDRSSA-N 428.577 1.816 0 40 IDAB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CN5C(=O)[C@H]6[C@H]7C=C[C@@H](C7)[C@H]6C5=O)(O4)[C@@H]3C2=O)cc1 102139865 GVMWDTYFFKRHRZ-UCDAAZBQSA-N 430.460 1.615 0 40 IDAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223040881 YSXLAZKODFURDD-FQEVSTJZSA-N 431.558 1.654 0 40 IDAB O=C(CCn1ccnc1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257227072 FNMSZAONZZQZHE-WPFOTENUSA-N 426.561 1.963 0 40 IDAB CN1CCN(CCCNC(=O)c2nc([C@H]3CCCN3c3ncccn3)n3ccccc23)CC1 306132356 LGGPJGFULBFMJQ-HXUWFJFHSA-N 448.575 1.833 0 40 IDAB COc1cc(CNC[C@]2(O)CCN(c3ccccn3)C2)ccc1OCCN1CCOCC1 585274180 UFZXAWXIXYCKNE-XMMPIXPASA-N 442.560 1.532 0 40 IDAB CS(=O)(=O)c1ccc(CN2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@@H]3C2)cc1 1549162724 VSVWWHUPIGNNRA-IBGZPJMESA-N 447.557 1.498 0 40 IDAB NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)cc1 1888864125 RZVGIIGEWHIUFH-ZIAGYGMSSA-N 440.447 1.956 0 40 IDAB Cn1cc(N2CCC(NS(=O)(=O)c3cccc4ccccc34)CC2)c(=O)n(C)c1=O 1889264774 WCTITLOELVIOFQ-UHFFFAOYSA-N 428.514 1.185 0 40 IDAB Cn1c(=O)c2c(nc(NC3CCCCC3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 4038306 CBINJUNABZRPCH-MRXNPFEDSA-N 427.505 1.618 0 40 IDAB CC(C)C[C@H](C(=O)OCC(=O)Nc1sccc1C(N)=O)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 8718463 JHQJSMXNCJJRPE-VNHYZAJKSA-N 447.513 1.695 0 40 IDAB Cc1ccc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)o1 10708152 WITAEFBXSPVCSW-UHFFFAOYSA-N 433.509 1.437 0 40 IDAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCCCN1CCCC1=O)CC1(CCOCC1)O2 12086919 UEWDCFCJOPPRNM-GOSISDBHSA-N 443.544 1.896 0 40 IDAB Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cn1 12992187 PVRQSOITYXSPRD-AATRIKPKSA-N 439.335 1.729 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2ccccc2)n(C)c1=O 13115922 UEUBDMGNETZVBL-UHFFFAOYSA-N 425.489 1.498 0 40 IDAB COc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1S(=O)(=O)NC1CC1 14108329 IYBGHFJVCIBJIQ-QGZVFWFLSA-N 429.498 1.188 0 40 IDAB CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)nc1C 14237288 AHDSJJIQJWYBIW-UHFFFAOYSA-N 442.519 1.240 0 40 IDAB O=C(CCNC(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 14245175 QHNUZKBPZUJRRJ-UHFFFAOYSA-N 433.486 1.172 0 40 IDAB CCCCN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16024569 UXKZVKPESZJUQE-UKJHCGGJSA-N 436.306 1.350 0 40 IDAB O=C1C[C@H](C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CN1Cc1ccccc1 16695076 SQTOYNZHPWFUFT-SIKLNZKXSA-N 449.507 1.546 0 40 IDAB CN1CCN(C(=O)c2ccc([C@@H]3CCCN(C(=O)CN4CCCCCC4=O)C3)nc2)CC1 19705983 HXXOBASAGQTNSR-HXUWFJFHSA-N 441.576 1.578 0 40 IDAB CN1CCN(C(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 22233693 QBFYBAUDZIHYNJ-UHFFFAOYSA-N 435.521 1.945 0 40 IDAB CNC(=O)c1nn(CN2CCN(Cc3ccc(OC)c(F)c3)CC2)c(=O)c2ccccc12 22932836 HUUIHINVDJSGPV-UHFFFAOYSA-N 439.491 1.679 0 40 IDAB CN1CCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 22935203 XFPNVCIPRMJDST-UHFFFAOYSA-N 428.986 1.492 0 40 IDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccccc1CN1CCOCC1)C2=O 23673904 CVZVQAFIRWGZSI-GAJHUEQPSA-N 428.533 1.636 0 40 IDAB O=C(CN1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1)Nc1cccc(F)c1 23804794 ITPQFSSTNDRVCL-UHFFFAOYSA-N 427.480 1.454 0 40 IDAB CNS(=O)(=O)c1ccc(CCC(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1 24887283 MCGJICZECWPLQR-UHFFFAOYSA-N 430.482 1.757 0 40 IDAB CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 32084709 DLSQYWCODZJEIK-AWEZNQCLSA-N 431.470 1.627 0 40 IDAB COc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)cc1S(=O)(=O)N1CCCCC1 32912423 ZISXPWABKYSCAZ-ZFWWWQNUSA-N 428.532 1.020 0 40 IDAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O 32915320 YELDCDLIAKRNIX-JOCHJYFZSA-N 426.473 1.915 0 40 IDAB CCN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 36594763 ZTEKJIVUCSMFLC-MOPGFXCFSA-N 428.620 1.561 0 40 IDAB O=C(CN1C(=O)S[C@H]([C@H]2SC(=O)NC2=O)C1=O)Nc1ccc(Br)cc1 65090491 VAWQRNIHYBHHGU-NXEZZACHSA-N 444.288 1.803 0 40 IDAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccn(Cc4ccccn4)n3)cc2)C1 65563657 FZHYNIRUNSUJKF-CQSZACIVSA-N 441.469 1.565 0 40 IDAB CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@H](c3cccc(OC)c3)NC(=O)N2)CC1 67287827 HQSQIMYTESYVCX-SFHVURJKSA-N 432.477 1.250 0 40 IDAB O=C(NCNN(CNC(=O)c1ccccc1)CNC(=O)c1ccccc1)c1ccccc1 68605880 HBOXKBBLHRQTMS-UHFFFAOYSA-N 431.496 1.956 0 40 IDAB biogenic Cc1ccc(Oc2ccc(NC(=O)c3cc(S(=O)(=O)NCC(N)=O)c[nH]3)cn2)cc1 72301611 SZXYDIJTWNDCHS-UHFFFAOYSA-N 429.458 1.526 0 40 IDAB Cc1n[nH]cc1C(=O)N1CCC(c2nc(N3CCCCC3)ncc2S(C)(=O)=O)CC1 72335916 OJVFETPGADLXNZ-UHFFFAOYSA-N 432.550 1.922 0 40 IDAB O=C(Cn1nnnc1-c1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2)CC1 78965402 YZQYAWZTWIHIIG-UHFFFAOYSA-N 430.465 1.012 0 40 IDAB CN1CCC2(CCCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 95454229 MSSNZGOVVKANEA-UHFFFAOYSA-N 425.526 1.547 0 40 IDAB COCCN1[C@H]2CCN(C(=O)c3ccncn3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145801 TYQAQASDLMFSAL-IRXDYDNUSA-N 432.502 1.180 0 40 IDAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)NCc4cnc(C)cn4)=NO3)C2)cc1 96225955 PTVPONQBBAGLQH-HXUWFJFHSA-N 429.502 1.319 0 40 IDAB O=C(C1CCCCC1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 96251475 ZZNWDIVNPBUXPM-RDPSFJRHSA-N 441.576 1.961 0 40 IDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)cc1 226044432 ZFOILSKLPMEZAQ-IBGZPJMESA-N 448.497 1.673 0 40 IDAB CCN(CC(=O)NCCSc1nc(C)n[nH]1)S(=O)(=O)c1cc(F)ccc1OC 226069656 AYOGJZQQWYFUDL-UHFFFAOYSA-N 431.515 1.180 0 40 IDAB CS(=O)(=O)N1CCC[C@@]12CCN(CC(=O)Nc1ccccc1OC(F)F)C[C@@H]2O 257218256 DCKOZZYDFIXJDG-YJBOKZPZSA-N 433.477 1.087 0 40 IDAB CN1CC[C@@H](O)[C@@H]2[C@@H](C1)N(C(=O)CCNC(=O)c1cncc(O)c1)C[C@H]2c1ccccc1 257275346 NOYUDDBOSMZFQO-GNXKAVGDSA-N 438.528 1.214 0 40 IDAB C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1)C(=O)N1CCOCC1 408592893 KRSUDUAVRSRFIW-AWEZNQCLSA-N 433.486 1.212 0 40 IDAB O=C(NCCN1CCOCC1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584558 QGZLDUKLUMSOBG-UHFFFAOYSA-N 439.556 1.838 0 40 IDAB COc1ccc(NC(=O)C[C@@H]2SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)cc1 1797021 JYUISKHQRPNLNU-HNNXBMFYSA-N 434.499 1.781 0 40 IDAB CC(=O)NCCNC(=O)c1ccc(Cn2c(S)nc3cc4c(cc3c2=O)OCO4)cc1 2975399 MSVPKNPETDLDTG-UHFFFAOYSA-N 440.481 1.328 0 40 IDAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(C(=O)NCc2ccccc2)CC1 4375422 YQSOGHJBHORMOX-NRFANRHFSA-N 426.492 1.927 0 40 IDAB Cn1cnc2c1c(=O)n(CCCSc1nnc(-c3ccc4c(c3)OCO4)o1)c(=O)n2C 9224099 GXWUFSKYOGGDJS-UHFFFAOYSA-N 442.457 1.395 0 40 IDAB CCN(C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 9612772 OKVKNCSZQABYEZ-CQSZACIVSA-N 434.470 1.724 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccc(OC)cc1 10385675 RHYJTRBEXXBVFB-PMACEKPBSA-N 437.500 1.619 0 40 IDAB C[C@H](NC(=O)COc1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 10557325 HLJMAHLIGVJHMB-OALUTQOASA-N 439.512 1.851 0 40 IDAB O=C(OCC(=O)N1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 10734436 GWZPAZUVQCKYLX-UHFFFAOYSA-N 444.509 1.844 0 40 IDAB CCCOc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)CC2)nn1 12440307 IQMYSYMGHJZBMT-QGZVFWFLSA-N 439.516 1.976 0 40 IDAB Cc1cc(C)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)n1 12786001 FDSSWQUWYSTFDZ-UHFFFAOYSA-N 441.351 1.796 0 40 IDAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 12799682 HBVNSJOZMBICIS-UHFFFAOYSA-N 432.546 1.492 0 40 IDAB CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)c1 13566737 WCNJVJPVCLPSBG-UHFFFAOYSA-N 447.513 1.992 0 40 IDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 15954555 XEFYLLYIUVFEEH-QAPCUYQASA-N 447.532 1.950 0 40 IDAB biogenic Cc1ccc(C)c(N2N=C(C(=O)O[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CCC2=O)c1 16867127 MAONZTHVXRMBKO-HOTGVXAUSA-N 449.529 1.363 0 40 IDAB COc1cc(CC(=O)N2CCc3nc(N4CCCCC4)[nH]c(=O)c3C2)cc(OC)c1OC 19549646 XOPXJADPPJPTRC-UHFFFAOYSA-N 442.516 1.913 0 40 IDAB COCC(=O)N[C@@H]1Cc2ccc(S(=O)(=O)Nc3cccc(-n4cccn4)c3)cc2C1 19749590 MWNKNHOHCNJADF-GOSISDBHSA-N 426.498 1.903 0 40 IDAB O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCc1csc(-c2ccccn2)n1 19942348 XVBLOZPSUMIMFO-UHFFFAOYSA-N 442.522 1.963 0 40 IDAB CCOC(=O)C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2cccc(C)c2C)c(=O)[nH]1 21113612 PBTRFNMNXQNDLY-UHFFFAOYSA-N 435.444 1.721 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1C 22247214 KPGLXYKSDXUTIW-HXUWFJFHSA-N 431.558 1.667 0 40 IDAB Cc1cc(CN2CCN([C@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)no1 32759799 JRQUHANVXMVXID-QGZVFWFLSA-N 449.577 1.815 0 40 IDAB CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NC1CCCC1 35374122 MZWCOMTVRDIIPY-UHFFFAOYSA-N 427.480 1.934 0 40 IDAB COc1ccc([C@@H](CN2CCOCC2)NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 48303409 QKFSNASDBWWRHD-JOCHJYFZSA-N 436.512 1.903 0 40 IDAB COc1ccc(-c2ccc(=O)n(CC(=O)NCC3CCC(C(=O)O)CC3)n2)cc1OC 49546536 HZICPWWKCSMTCD-UHFFFAOYSA-N 429.473 1.935 0 40 IDAB Cc1ccc(N2CC[C@H](C(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)C2=O)cc1C 58162034 YZHSELVGBSVPHN-ZIFCJYIRSA-N 437.562 1.212 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc(C3CCN(Cc4cccs4)CC3)[nH]c(=O)c2C1 72399036 KMFQDLLAGLQNHL-UHFFFAOYSA-N 437.591 1.376 0 40 IDAB CC[C@@H](C(=O)Nc1cnn(C[C@H](O)CN(C)OC)c1)n1nnc(-c2ccc(Cl)cc2)n1 95456511 CQBKTHVVZNIWPF-SJORKVTESA-N 448.915 1.634 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)c1 102472218 QGARGLXBBJAAID-QZTJIDSGSA-N 445.541 1.088 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 222413503 HLOSKILISKXJLP-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB C[C@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)C[C@@H](C)O1 227003385 HARZAVKWKDZNJH-WDMOLILDSA-N 443.572 1.093 0 40 IDAB CS(=O)(=O)N1CC[C@@]2(Cc3nc(=O)c(C(=O)NCc4cccc(Cl)c4)cn3C2)C1 306137187 QODSJPQXYXOXGH-IBGZPJMESA-N 436.921 1.035 0 40 IDAB COC(=O)c1cc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc(C(=O)OC)c1 408610954 PEOAYQHGSLCSGV-UHFFFAOYSA-N 434.470 1.660 0 40 IDAB C[C@@H]1Cc2ccccc2N1CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1626136837 UYOOFWCOMCMALB-ZWDAVXSWSA-N 425.504 1.897 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCC2(N3CCOCC3)CCSCC2)cc1 1775976044 UNWXMYKCVTYKFF-UHFFFAOYSA-N 427.592 1.265 0 40 IDAB O=C(c1cccc(Cl)n1)N1CCC2(CC1)O[C@@H](C(=O)N1CCOCC1)Cn1ccnc12 2055794520 YBBYYDMPYYGEQV-MRXNPFEDSA-N 445.907 1.321 0 40 IDAB O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 9344743 HUVUIBHJFJHDNM-UHFFFAOYSA-N 442.541 1.926 0 40 IDAB Cc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9570004 GVJIYELVYQBSKH-UHFFFAOYSA-N 435.521 1.781 0 40 IDAB COc1cc(OC)nc(NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)n1 10538929 ISDROJIPKPRMQZ-CQSZACIVSA-N 448.501 1.527 0 40 IDAB Cc1cnccc1C(=O)N1CCN(S(=O)(=O)c2cnc(-c3cccnc3)nc2C)CC1 12229923 BOOFKGLNYYKGFL-UHFFFAOYSA-N 438.513 1.697 0 40 IDAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 12632407 BIGYRCKHQPEQQN-KRWDZBQOSA-N 428.898 1.249 0 40 IDAB COc1ccc(CCN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1OC 13115825 OXVNHVMQCLAZQE-UHFFFAOYSA-N 434.562 1.714 0 40 IDAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 14014796 XTIXITURYVQEGY-QFIPXVFZSA-N 449.507 1.933 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n(C)c1=O 14698705 KCVLNFSMKJDCRV-UHFFFAOYSA-N 430.877 1.849 0 40 IDAB COCCN(C(=O)CN1C[C@H](C)C[C@@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 16475104 NIDZFJWELBEIGY-IAGOWNOFSA-N 443.548 1.124 0 40 IDAB O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 20739009 XVYUMHVHYWMOON-MRXNPFEDSA-N 435.933 1.783 0 40 IDAB COc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3ccc(OC)c(OC)c3)CC2=O)cc1 20744561 GMIDINMCPAUQAN-CQSZACIVSA-N 427.457 1.820 0 40 IDAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)N(CC)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 32957430 VVAMHQNBZJHTTG-AEFFLSMTSA-N 436.530 1.181 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1N(C)CCc1ccncc1 36594920 UWUWPTMVACQKTE-FXAWDEMLSA-N 438.571 1.512 0 40 IDAB CCOC(=O)c1cnn2c(CSc3nc4cnn(C)c4c(=O)n3CC)cc(O)nc12 36615228 KEYJKGWQVUZIJA-UHFFFAOYSA-N 429.462 1.367 0 40 IDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 48287362 BBIGXVVFDDSEJU-NRFANRHFSA-N 425.533 1.524 0 40 IDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc(Cn2cccnc2=O)c1 57997354 SFWOGLMCWSADDS-ICSRJNTNSA-N 427.505 1.150 0 40 IDAB O=C(Cn1cnc2nc(N3CCOCC3)ncc2c1=O)NCc1cccc(C(F)(F)F)c1 62006741 PPJRJBREUBPSTN-UHFFFAOYSA-N 448.405 1.358 0 40 IDAB C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C[C@H](C(=O)O)O1 95991965 QCJBQRFKXYAYRP-AUUYWEPGSA-N 436.530 1.277 0 40 IDAB CCN1C[C@]2(CC1=O)CN(C(=O)NCc1ccc(OC)cc1)CCN(C(=O)NC(C)C)C2 96143511 RVPNXXDOQZBUMZ-HSZRJFAPSA-N 445.564 1.879 0 40 IDAB O=C(CN1C(=O)S/C(=C\c2ccc(I)o2)C1=O)N1CCOCC1 106693692 BSDLPQQVWYDXIX-YFHOEESVSA-N 448.238 1.779 0 40 IDAB Cc1ccc(-c2noc(CNC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)n2)cc1 219270244 UWEQGUKAMXICCN-KRWDZBQOSA-N 428.470 1.888 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCn1ccnc1 224133736 SFLLHSXAXNCNEK-UHFFFAOYSA-N 436.534 1.052 0 40 IDAB O=c1[nH]c2ccc(S(=O)(=O)NCC3(c4ccc(F)cc4)CCOCC3)cc2[nH]c1=O 511856621 ALVJUPIQEKYWNF-UHFFFAOYSA-N 433.461 1.382 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)CC1 1775986085 TXIJDHLAYNORSI-UHFFFAOYSA-N 436.578 1.032 0 40 IDAB O=C(COC(=O)c1ccc(F)cc1F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3317350 GLHHJTXTCSJRAO-UHFFFAOYSA-N 440.424 1.781 0 40 IDAB COc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1Cl 6177676 WGHGZRKFVNPDIL-UHFFFAOYSA-N 431.880 1.800 0 40 IDAB C[C@@H]1CC(=O)NN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 8772222 LKGWFJMTMSQTSR-CYBMUJFWSA-N 428.942 1.969 0 40 IDAB CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@H](C(=O)O)[C@H](C)O 8877504 UVELKMNWTXVIMC-STECZYCISA-N 434.493 1.154 0 40 IDAB biogenic O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 9120050 ARENIVHEJKKOMS-UHFFFAOYSA-N 446.485 1.561 0 40 IDAB C[C@H]1CN(C(=O)CSc2nc(C3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)C[C@H](C)O1 9517440 XTVPWMWYSRAQCD-STQMWFEESA-N 447.561 1.413 0 40 IDAB Cc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 9570002 WNOJVEDQKAQQCF-UHFFFAOYSA-N 435.521 1.781 0 40 IDAB Cc1csc(=O)n1CC(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9740303 XECSUCRXFTUZKL-UHFFFAOYSA-N 438.527 1.819 0 40 IDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 9876879 YQNKURXYKFCFCR-KRWDZBQOSA-N 441.484 1.966 0 40 IDAB Cc1cc(=O)c(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)nn1-c1ccccc1 9899271 DVMCLNFMBDLQKR-UHFFFAOYSA-N 426.498 1.721 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1 10000294 YMEMOLKJIWYHDU-UHFFFAOYSA-N 438.889 1.469 0 40 IDAB O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1)OC[C@H]1CCCO1 12136983 QWXHNNIUOHBGEZ-HUUCEWRRSA-N 439.921 1.267 0 40 IDAB O=C(NCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 12678460 AJKGXSHYEAMKOY-UHFFFAOYSA-N 437.949 1.881 0 40 IDAB CC(C)C[C@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1=O 13059080 HCIFEQFNQVJEMX-IBGZPJMESA-N 442.969 1.960 0 40 IDAB COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(C[C@@H]5CCCO5)C(=O)[C@H]24)O3)cc(OC)c1OC 15905314 LQAIALVFPHCXFW-SLZBCADVSA-N 444.484 1.612 0 40 IDAB CN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O 18039516 OUTMWUYZKMKNAI-HYBUGGRVSA-N 448.479 1.357 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C[C@H]3C=CCC3)C1)C2=O 19699595 KOFVGLXESLJWMU-ROUUACIJSA-N 430.549 1.903 0 40 IDAB Cc1cc(S(=O)(=O)N2Cc3cn(C)nc3[C@H](C(=O)NCc3ccccn3)C2)ccc1F 19701424 JBDAVDJKWNDLJW-GOSISDBHSA-N 443.504 1.867 0 40 IDAB CC[C@H](C(=O)N1CCC(c2nc3c(c(NC)n2)CN(C(C)=O)CC3)CC1)N1CCOCC1 19711427 DEYPYTPEJPGGRJ-HXUWFJFHSA-N 444.580 1.240 0 40 IDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ncccn4)CC3)c(Cl)c2)C1=O 19797453 HZVGURJMUBGPRH-ZDUSSCGKSA-N 449.920 1.405 0 40 IDAB C[C@H](OC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C(=O)Nc1ccc2c(c1)OCO2 23818830 RHSJNJKMJYRHSV-WHEQGISXSA-N 439.424 1.753 0 40 IDAB CSc1nc(C)c(CCC(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(C)n1 29182604 SJYUWNHATSZVMI-BETUJISGSA-N 430.596 1.303 0 40 IDAB CSc1nc(C)c(CCC(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1 29182606 SJYUWNHATSZVMI-STQMWFEESA-N 430.596 1.303 0 40 IDAB NC(=O)C1CCN(C(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3sccc32)CC1 32101729 UNBGPVXHCJQCDH-UHFFFAOYSA-N 446.916 1.591 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 32780671 JINXFUKNXMPJEC-VHSXEESVSA-N 429.347 1.306 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H](c2nnc3n2CCC3)C1 32921802 ZNSUOFQLMDEUEN-QGZVFWFLSA-N 445.545 1.265 0 40 IDAB O=C(NCc1cccnc1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36360754 USJMXUJBZHLWAW-KRWDZBQOSA-N 428.514 1.535 0 40 IDAB O=C(CCCCN1C(=O)c2ccccc2C1=O)N1CCOCCOCCOCCOCC1 39988494 FCAKYVGUYSSKQE-UHFFFAOYSA-N 448.516 1.362 0 40 IDAB O=C(NCc1ccc(-n2cncn2)nc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 40107053 DOGCEPYAOGBJTH-DLBZAZTESA-N 426.477 1.261 0 40 IDAB Cn1c(=O)c2c(c(-c3ccccc3)cn2C)n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O 67235371 PZQUTKBGSFFWLF-UHFFFAOYSA-N 446.463 1.751 0 40 IDAB C[C@@H]1CCCCN1CCCNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326206 SPRUQIZRCGKQRO-HXOBKFHXSA-N 442.564 1.326 0 40 IDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 95477441 JPIYAAAABWQLCR-UHFFFAOYSA-N 438.459 1.917 0 40 IDAB COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(O)cc(C)n(CC(=O)O)c1=O 96221767 LBPHFKKQFXDSMJ-CYBMUJFWSA-N 443.408 1.757 0 40 IDAB biogenic COc1ccc(OCCNC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 223657608 NVFXLUOUIBFRGS-UHFFFAOYSA-N 438.502 1.674 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)s1 224163762 AWPYCPMTRGZTDV-UHFFFAOYSA-N 430.464 1.491 0 40 IDAB COc1ccc(-c2cc(=O)n(CCNC(=O)[C@@H](C)n3nc4c(cc3=O)CCC4)cn2)cc1 585150616 YMUVOUMQBQECAB-OAHLLOKOSA-N 435.484 1.342 0 40 IDAB COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O 2448813 WWYXQYASDFTHRC-INIZCTEOSA-N 428.372 1.707 0 40 IDAB COc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 3217290 JURIBHDILVWKAD-UHFFFAOYSA-N 448.497 1.820 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCCCN3c2ccc(OCC)cc2)n(C)c1=O 4042798 JBLFFXQCOMYZFB-UHFFFAOYSA-N 441.488 1.790 0 40 IDAB CCC[C@@H](C(=O)NC(C)(C)C)N(C[C@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N 4161172 QOWYTCQJABJKBW-NEPJUHHUSA-N 425.555 1.529 0 40 IDAB Cc1c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(=O)n(-c2ccccc2)n1C 6552936 BQJJEDYSYXCXTR-RCDICMHDSA-N 425.489 1.924 0 40 IDAB COCCn1c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2F)c1C 9620003 ZIWYXRXGCPWOBS-UHFFFAOYSA-N 426.466 1.595 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccc(C)cc2)cc1 9806521 SYNZNCMFWNTPRF-SFHVURJKSA-N 445.541 1.589 0 40 IDAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@H]1C 10734305 ZKJANBXPNILKEK-GPMSIDNRSA-N 438.546 1.948 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1ccc(S(C)(=O)=O)cc1)n2CC 12520047 RPZXKRZNOIYFLW-UHFFFAOYSA-N 448.501 1.467 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)ccc1Cl 13010929 SBQWNJRGOLAJIE-QMMMGPOBSA-N 445.906 1.593 0 40 IDAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)N1CCN(c2ncccn2)CC1 13126827 XGQGTOGNMRBWRK-INIZCTEOSA-N 440.485 1.813 0 40 IDAB CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 14680663 DKSVSRCRGFUENE-UHFFFAOYSA-N 441.937 1.850 0 40 IDAB COCCNC(=O)CN1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19697606 PHSGWHOWADLQNR-QGZVFWFLSA-N 447.557 1.510 0 40 IDAB Cc1cc(C)n(CCC(=O)N2CCC(c3ccc(C(=O)N(C)C)c(N)n3)CC2)c(=O)n1 19765979 HTFXQJSEUAEOHL-UHFFFAOYSA-N 426.521 1.335 0 40 IDAB C[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@@H]2[C@H]1O 20466606 DERGAPNGLWHSKS-XWGHHAAHSA-N 449.636 1.789 0 40 IDAB biogenic,in-vitro COc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1S(=O)(=O)N1CCOCC1 23322142 XQCMKMSEIUEONH-XOBRGWDASA-N 448.497 1.883 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 32818424 JDKKCTXTGOTISY-IYBDPMFKSA-N 429.970 1.771 0 40 IDAB CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 32863570 LXFAXVNHTOJHOG-SFHVURJKSA-N 442.557 1.198 0 40 IDAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(CC(N)=O)cs1 32882514 ZCPKZZVTFNIXCG-CQSZACIVSA-N 430.939 1.766 0 40 IDAB Cc1c(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c(=O)n(-c2ccccc2)n1C 32957365 VPIBMEWSFRBHCR-UHFFFAOYSA-N 433.428 1.256 0 40 IDAB CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)CC1 35349135 PFWYJNBBOQVDGU-UHFFFAOYSA-N 432.384 1.932 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)o2)CC1 35597525 FHHPTCAKYGCPIG-UHFFFAOYSA-N 427.504 1.734 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCc1ccc(-n2cncn2)nc1 48288976 JEEWDFRTLBABSX-UHFFFAOYSA-N 440.529 1.526 0 40 IDAB COCCN(CCOC)S(=O)(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 58010697 IDIBDHYUGKMFAJ-UHFFFAOYSA-N 428.530 1.920 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCC[C@H]3CNC(=O)OC(C)(C)C)ccc21 60321493 GBWJJDACBQQVGU-AWEZNQCLSA-N 438.550 1.945 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204926 NLURWLDRBAJYOP-GOSISDBHSA-N 426.452 1.219 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC[C@H](O)COCC3CC3)CC2)c(C)c1 72311678 YHEZJGFTTUMKHK-FQEVSTJZSA-N 438.590 1.916 0 40 IDAB O=C(O)CCC(=O)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72338447 OLDZJAZFMCODLN-KRWDZBQOSA-N 425.489 1.946 0 40 IDAB O=C(N[C@H](c1nccs1)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccn1 72394659 GCRUCQQUZSITPW-WBVHZDCISA-N 448.570 1.683 0 40 IDAB CNC(=O)CN1Cc2c(C(=O)Nc3ccccc3C)ncn2-c2ccccc2S1(=O)=O 96266247 XGQMJIFNRKTKRV-UHFFFAOYSA-N 439.497 1.683 0 40 IDAB O=C(N[C@H]1C[C@@H](NC(=O)OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O)OCc1ccccc1 103619596 GIOOUAKNEMYNSA-AJRUKDSQSA-N 430.457 1.063 0 40 IDAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1 138706178 CNTCNGSFUOSYRF-QGZVFWFLSA-N 437.452 1.873 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222603708 IRIQYDQBAKMZDI-CQSZACIVSA-N 439.484 1.894 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222792916 BHLJOBAXZJUMSE-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(CN2CCOCC2)cc1 224575964 UQJOYHDLRIILKV-UHFFFAOYSA-N 443.525 1.370 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)s1 225267779 LXMOCUGTERBPJI-UHFFFAOYSA-N 444.560 1.825 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 225613982 AEEPSXHAWAEFIH-UHFFFAOYSA-N 434.470 1.660 0 40 IDAB COc1cccc([C@]2(O)CC[C@@H]3CN(S(=O)(=O)c4ccc5[nH]c(=O)[nH]c5c4)C[C@H]32)c1 248257706 UBMFFRWZCDTBDI-QKAVXHIFSA-N 429.498 1.783 0 40 IDAB Cc1ccc(C2=NN(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)[C@@H](C(=O)O)C2)cc1 256028054 QRQZAQXATBRMOB-FEEIMYBTSA-N 432.465 1.542 0 40 IDAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)[C@H]2O)CC1 257261303 LGQCLVRVDGKYCA-NJDAHSKKSA-N 429.496 1.344 0 40 IDAB O=C(CN1CCOCC1)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 257269239 MPDYXBIQPUQCGR-HXUWFJFHSA-N 434.924 1.917 0 40 IDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 408597303 UTJULVYCQXIOPN-LBPRGKRZSA-N 427.504 1.038 0 40 IDAB CCOC(=O)C1CCN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 408704052 JDOJXKPRQJFMOU-UHFFFAOYSA-N 440.518 1.763 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)cc1 585150022 ZBAFSLLUSVLLCI-UHFFFAOYSA-N 429.546 1.577 0 40 IDAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)c3cc(C(F)(F)F)n(C)n3)cc2NC1=O 585281760 QWETUNLXZVZJBX-NSHDSACASA-N 432.380 1.667 0 40 IDAB CC[C@@H](Cc1cn(C)c2ccccc12)NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1561810817 ABFZPXXXHADEMG-AWEZNQCLSA-N 441.513 1.825 0 40 IDAB NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)cc1 2976013 NFBNCEKKCQUGSP-UHFFFAOYSA-N 446.554 1.786 0 40 IDAB CN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3356422 OKUYKFMDRLIHHG-UHFFFAOYSA-N 449.389 1.011 0 40 IDAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)NCc1ccccc1 3525551 DQMNUDXXAKHPQK-UHFFFAOYSA-N 436.461 1.320 0 40 IDAB CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NC[C@H]1CCCO1 6198569 HMKGVTVTQIDOGH-QGZVFWFLSA-N 446.573 1.716 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1=O 8861036 QMHXFFHQCFHHNJ-GCJKJVERSA-N 441.509 1.674 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)cc1 9665452 IISBCAPAHRTYFG-UHFFFAOYSA-N 440.525 1.697 0 40 IDAB COc1ccc(NC(=O)CCN2CCSC2=O)cc1S(=O)(=O)N1CCOCC1 12793222 JQNDLYJDGLMHJE-UHFFFAOYSA-N 429.520 1.214 0 40 IDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 12802576 LBSQQCWKTMAWMY-JLCFBVMHSA-N 431.456 1.407 0 40 IDAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 13039377 OHKANMLNAYSUMQ-WBAXXEDZSA-N 431.514 1.749 0 40 IDAB C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)NCc1ccc2c(c1)OCO2 13127962 KQYXZMUAFZESOO-DGCLKSJQSA-N 439.515 1.573 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cn(C)nc3OC)n2CC)CC1 13574578 AKFWWYOXUJLBAZ-UHFFFAOYSA-N 437.526 1.100 0 40 IDAB CCN1C[C@@H](CN(C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)Oc2ccccc21 14094058 AMVSRRDEJHYWFE-MRXNPFEDSA-N 429.521 1.492 0 40 IDAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 14356676 NWUAJUZUSCCDQD-YWWNBQKISA-N 443.500 1.966 0 40 IDAB CC(=O)Nc1ccc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@]23CCCC(=O)N3)cc1 19022654 JSTHMIYUIOXZRC-PZJWPPBQSA-N 434.562 1.814 0 40 IDAB COc1ccc(CC(=O)N2CCC(n3nnn(-c4cccs4)c3=O)CC2)cc1OC 19560392 GHNIJXUOLFZMEJ-UHFFFAOYSA-N 429.502 1.914 0 40 IDAB CC(C)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3cc(C4CC4)on3)C1)C2=O 19699979 UAJWAQTXBKYUQY-INIZCTEOSA-N 429.521 1.951 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)Nc1nc(-c3ccc(Cl)s3)cs1)c(=O)n2C 23682933 BVTIKSPCVURARS-UHFFFAOYSA-N 436.906 1.911 0 40 IDAB CCn1c(CN2CCN(c3ncccn3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 23752063 GYPPKTUSGQFMGA-UHFFFAOYSA-N 429.550 1.419 0 40 IDAB O=C(c1ccc(I)cc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 30210116 WHQNKDCFDYCVMA-UHFFFAOYSA-N 449.314 1.390 0 40 IDAB CCc1ccccc1N1C[C@H](C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1=O 30644204 LRWAJQQFSREULL-HXUWFJFHSA-N 436.560 1.720 0 40 IDAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)C1 30861799 FMUMBLCYBFHAJI-RTBURBONSA-N 437.606 1.946 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(CC(N)=O)cc3)C2)cc1 32045421 CFGJUHWPYCMBNU-MRXNPFEDSA-N 431.514 1.762 0 40 IDAB NS(=O)(=O)NC[C@H]1CCCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C1 32933565 VHQHYYDVCJYBDE-GFCCVEGCSA-N 428.461 1.584 0 40 IDAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(C2CCCC2)C1 36398144 ORKUIEFFEFIJNQ-QGZVFWFLSA-N 435.546 1.115 0 40 IDAB C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)n1nc(-c2ccc(F)cc2)ccc1=O 42380975 NNXXMBMCHYGEEI-CQSZACIVSA-N 444.488 1.617 0 40 IDAB Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)n1 69950439 SPDACXCLQHYZKC-CQSZACIVSA-N 430.486 1.760 0 40 IDAB O=C(Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN12)NCc1ccccc1F 72348110 BTVNHXQKDCYUFW-UHFFFAOYSA-N 426.839 1.723 0 40 IDAB Cc1ccc(F)c(S(=O)(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)c1 79105807 VTKHKINPERZCET-UHFFFAOYSA-N 434.449 1.428 0 40 IDAB C[C@@H](C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)S(=O)(=O)C1CCOCC1 95419530 FAKFZSVDEJFFGA-INIZCTEOSA-N 437.562 1.188 0 40 IDAB C[C@H]1CCCCN1C(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2 96147558 ZYILWHHSGSGDNR-HNNXBMFYSA-N 445.545 1.479 0 40 IDAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@@H]32)cc1 101169822 DPSISPCLGVGVBZ-RBUKOAKNSA-N 439.428 1.644 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C 102078169 SNXXAJLSMFIACH-GFCCVEGCSA-N 442.468 1.621 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)s1 223172382 CHHZMQSFMCXCDD-UHFFFAOYSA-N 446.532 1.217 0 40 IDAB COc1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1NC(C)=O 224752289 SRKBYRJSDFFPKT-UHFFFAOYSA-N 433.530 1.964 0 40 IDAB O=C(NCCSc1ncn[nH]1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 226077549 YBSZGRVUUPIHLB-LBPRGKRZSA-N 429.955 1.767 0 40 IDAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 226654874 HEQTYXGTZHVIOU-VDNWNZSNSA-N 429.425 1.741 0 40 IDAB O=c1c(=O)n2c(nn1Cc1ccccc1)C[C@]1(CCN(Cc3ccc4c(c3)OCO4)C1)C2 306134761 NXMNXYRPECRVSB-DEOSSOPVSA-N 432.480 1.630 0 40 IDAB O=C(NCc1cccc(F)c1)NC[C@@H]1CCc2ncc(C(=O)NCCN3CCCC3)n21 306137895 RJKWEJXTLILKNN-SFHVURJKSA-N 428.512 1.835 0 40 IDAB Cn1c(O)c(C(c2cccnc2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S 409100041 PJVIUCPGNHQEBZ-UHFFFAOYSA-N 433.515 1.206 0 40 IDAB CN1CCNC(=O)c2ccccc2OCC=CCC2(CN(C(=O)C3CCOCC3)C2)C1=O 1616053128 VAXYTHRWOIANBY-UHFFFAOYSA-N 441.528 1.469 0 40 IDAB COCCN(CC(=O)NCCc1ccccc1)C(=O)CCC(=O)Nc1cc(C)ccn1 4849601 VKGIVTOUXZRWGC-UHFFFAOYSA-N 426.517 1.943 0 40 IDAB COc1cc2c(c3oc(=O)c(CCC(=O)N(CCO)CCO)c(C)c13)CCC(C)(C)O2 8764935 ALCMTTVCNVABAX-UHFFFAOYSA-N 433.501 1.959 0 40 IDAB biogenic CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)CC)ccc12 8952737 DCRPSJUFMLYVCT-ZSEKCTLFSA-N 432.473 1.856 0 40 IDAB biogenic CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc21 9519609 LPYBLNYDMNBRHZ-IAGOWNOFSA-N 449.573 1.919 0 40 IDAB COCCCn1c(C)cn2c3c(=O)n(CC(=O)c4ccc(F)cc4)c(=O)n(C)c3nc12 9713194 YVSTYRQAVLPRKF-UHFFFAOYSA-N 427.436 1.516 0 40 IDAB CNC(=O)[C@H]1CN(C(=O)COC(=O)c2nn(-c3ccccc3)nc2C)c2ccccc2O1 10377940 HDTVXZVMPLCELD-GOSISDBHSA-N 435.440 1.273 0 40 IDAB COc1ccccc1N1CCN(C(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)CC1 11859498 YVKLOEARMIKXCG-MRXNPFEDSA-N 443.525 1.970 0 40 IDAB CN(C(=O)c1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 12003585 GVNOIUWMBRFGPM-GFCCVEGCSA-N 448.950 1.302 0 40 IDAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 12757404 JPPLEUNQOBSGGI-CQSZACIVSA-N 431.470 1.272 0 40 IDAB COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1ccccn1)N(C)[C@@H]2c1ccccn1 12952552 NXOACBKUEYYEQP-GGILJOMBSA-N 438.484 1.038 0 40 IDAB CCOCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O 14117296 NMYKFQFUZDTBGG-UHFFFAOYSA-N 426.267 1.913 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCN3C(=O)C3(c4ccccc4)CC3)[nH]c2=O)C1 19572942 GBWLURQKRYEJLZ-GOSISDBHSA-N 442.541 1.483 0 40 IDAB CNS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(N(C)C)nc(-c3cccnc3)n2)c1 19591960 BCCHAKZPXRBZBT-UHFFFAOYSA-N 444.492 1.582 0 40 IDAB O=C(NCc1ccccc1)c1cccnc1[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 19709347 ZMINSAPPPJPGII-LJQANCHMSA-N 444.557 1.768 0 40 IDAB Cc1ccc(C)c(CN2CCN(CCn3c(C)cn4c5c(=O)[nH]c(=O)n(C)c5nc34)CC2)c1 22816413 FKHLYFXJSMVIQW-UHFFFAOYSA-N 449.559 1.419 0 40 IDAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 23130654 ZGPMTJUYBXDIGP-HNNXBMFYSA-N 445.497 1.171 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(S(=O)(=O)c3cccs3)CC1)C2=O 23703318 JBHXEWKJRVXYEO-RDTXWAMCSA-N 426.564 1.513 0 40 IDAB CNC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ccccc2O1 29767497 ZAPVUNRFJNCLRJ-VBKZILBWSA-N 437.452 1.351 0 40 IDAB O=C(CN1C(=O)CCC1=O)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 35598289 AFZHYUBTSGEFFQ-UHFFFAOYSA-N 445.523 1.878 0 40 IDAB CN(C)CCCNC(=S)N(CCCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 36384841 RKRJKAGIENIQPJ-UHFFFAOYSA-N 447.605 1.837 0 40 IDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 58161338 CDRGKAWBFHOCBD-UHFFFAOYSA-N 444.557 1.937 0 40 IDAB CCOC(=O)N1CCC(NC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)CC1 71768381 XNHXHDBWERXOMH-UHFFFAOYSA-N 425.449 1.976 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2COc3ccccc3C2=O)CC1 95444702 BKFPZZSPXQRYIA-INIZCTEOSA-N 433.486 1.452 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C[C@@H](C)O1 95965894 OSERSORAUJESFA-NJAFHUGGSA-N 426.535 1.477 0 40 IDAB CN(C)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1Cl 102123175 QWSHVPZLTBYEKU-OKILXGFUSA-N 439.921 1.870 0 40 IDAB C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222740231 OGWYSJAUZNNKNA-GOSISDBHSA-N 431.558 1.654 0 40 IDAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCCO2 222742887 UVMWQCQPQWODQG-UHFFFAOYSA-N 433.486 1.742 0 40 IDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)s1 223204146 JILXWSIVBZXICA-UHFFFAOYSA-N 437.547 1.734 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@@H]2[C@H](C(=O)NCc3ccc(F)cc3)[C@H]3C=C[C@]21O3 245229833 GXSVIIIAPAWTCO-TTYPXMTQSA-N 441.503 1.670 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 253571994 PQMKZDYILXCIJA-YCFYUYSTSA-N 447.491 1.589 0 40 IDAB COC(=O)N1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3ccnn3C)CC2)C1 306133427 MKVLGEBCZXAEPV-UHFFFAOYSA-N 441.517 1.954 0 40 IDAB CCn1cc(C(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)c(=O)c2ccc(C)nc21 390832329 YRUVDYIXKQJBCU-UHFFFAOYSA-N 446.515 1.870 0 40 IDAB Cc1nccc(O[C@@H]2CCCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)C2)n1 575609521 MQWNTLGYGKOMJF-QGZVFWFLSA-N 428.514 1.852 0 40 IDAB CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 1136920356 QBPMPJMGTHVQDQ-PMACEKPBSA-N 438.484 1.229 0 40 IDAB Cn1nc2c(c1C(=O)NCc1ccccc1)C[C@@H](CNC(=O)c1cnn3ccccc13)OC2 1614941012 BJYNBRYVENPECZ-KRWDZBQOSA-N 444.495 1.869 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)cc1OC 1888944449 NAAQKELSRQRHMM-OKILXGFUSA-N 444.517 1.137 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(OC(=O)c1ccccc1)n2C[C@@H](O)COc1ccccc1 828787 BTWRODCEWHDSGT-OAHLLOKOSA-N 436.424 1.082 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 2660216 QZOMHGXKMFGQOS-UHFFFAOYSA-N 439.559 1.337 0 40 IDAB CCOC(=O)/C=c1\s/c(=C\c2c(C)cc(C)cc2C)c(=O)n1CC(=O)NCC(C)C 3375865 GOJDGIZGGXFSOE-SKVCMNEASA-N 430.570 1.780 0 40 IDAB COc1ccc(S(=O)(=O)NCCCO)cc1-c1nnc2c3ccccc3c(C)nn12 3655651 CEJVECMLWFKTJC-UHFFFAOYSA-N 427.486 1.922 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2c[nH]c3ccccc23)c1 9222773 QDVSYGQLDILRFC-UHFFFAOYSA-N 430.530 1.719 0 40 IDAB Nn1c(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccco1 9376203 PHNCZPWOVJTZMX-UHFFFAOYSA-N 426.380 1.516 0 40 IDAB COCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O 9433941 XXVALQCLLLNFGZ-YKSBVNFPSA-N 434.496 1.649 0 40 IDAB CC(=O)[C@H](Sc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1)C(=O)N(C)C 9517890 DOBNIOSHOVIGDV-DOMZBBRYSA-N 447.542 1.668 0 40 IDAB O=C(Cn1cc(S(=O)(=O)CC(=O)N2CCCCCC2)c2ccccc21)N1CCOCC1 9519733 GEUZZEVPXHVPKA-UHFFFAOYSA-N 447.557 1.676 0 40 IDAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1 9660353 XUWFIAGRBQAKCX-CQSZACIVSA-N 436.472 1.827 0 40 IDAB CCOC(=O)[C@H](NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)C(C)C 12085666 QOTWJSUCPZQIEC-KNQAVFIVSA-N 431.489 1.222 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCC(O)CC3)CC1)CC2=O 12086396 MVEUIDOLOZZJGQ-WNSKOXEYSA-N 430.501 1.784 0 40 IDAB CCn1cc([C@@H]2C[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)N(C)S(=O)(=O)N2)c(C)n1 12130406 VUWHDQQDMDUAHG-HOTGVXAUSA-N 437.522 1.447 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)cc1 13018243 KBMZAEXSNAOSPV-DHZHZOJOSA-N 429.546 1.869 0 40 IDAB COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)cc1OC 13371538 QZMIDIUWXPAVML-LPHOPBHVSA-N 443.518 1.572 0 40 IDAB CSCC[C@@H](NC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)C(C)C)C(=O)O 13591863 AHZPEZSCSMRGDA-ZBFHGGJFSA-N 433.534 1.913 0 40 IDAB Cc1nc([C@H]2CCCCN2C(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)ncc1C(N)=O 19764513 FPRIGDGNHBYGOY-GOSISDBHSA-N 436.516 1.761 0 40 IDAB Cc1cc2cc(CN(CCO)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1C 19824261 BEPMGIMLOVSNOZ-UHFFFAOYSA-N 432.590 1.536 0 40 IDAB COC(=O)c1cc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc(C(=O)OC)c1 20104785 FNLJHRHABALQMV-QGZVFWFLSA-N 448.453 1.426 0 40 IDAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCOCC2)c1=O)C[C@@H](C)CC3 20590543 HPPFBOCWFQSDLW-AWEZNQCLSA-N 435.546 1.245 0 40 IDAB O=S1(=O)CC[C@@H](N(Cc2cccs2)Cn2nnn(C[C@@H]3CCCO3)c2=S)C1 24988828 ZEVGJXSGUSQAAU-KGLIPLIRSA-N 429.593 1.696 0 40 IDAB NC(=O)C1CCN(C(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)CC1 32071508 BPTLYALVTXEIDW-UHFFFAOYSA-N 446.916 1.591 0 40 IDAB CCc1cccc(CC)c1NC(=O)Cn1c(=O)ncc2c1cnn2[C@H]1CCS(=O)(=O)C1 32616622 USDANYPEPZFLBC-INIZCTEOSA-N 443.529 1.716 0 40 IDAB O=C(c1cccc(-c2nnn[nH]2)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 32810671 RCBFNQFMFUQMAI-UHFFFAOYSA-N 430.465 1.543 0 40 IDAB Cc1ccc(NC(=O)CSc2nnc(CCc3c(C)[nH]c(=O)n(C)c3=O)o2)cc1F 35597138 OFYQEZAQWAJVFG-UHFFFAOYSA-N 433.465 1.729 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)C3CCCCC3)n2Cc2ccccc2)n(C)c1=O 57681212 LDVITEIBPSDZJT-UHFFFAOYSA-N 438.532 1.590 0 40 IDAB COc1ccc(-n2c(O)nc3nc(N4CCN(c5ccccn5)CC4)ncc3c2=O)cc1 67264233 WZIRFYBGWIEEEE-UHFFFAOYSA-N 431.456 1.612 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1cccc(Br)c1 67286197 OYNXGWXGLDUKJN-KRWDZBQOSA-N 437.338 1.868 0 40 IDAB O=C(Cn1ccc(=O)[nH]c1=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 72393482 LDAKDONRUVNQRQ-UHFFFAOYSA-N 428.508 1.768 0 40 IDAB COC(=O)CC1CCN(C(=O)[C@@H]2CCCN(C(=O)CNC(=O)c3ccccc3)C2)CC1 72405937 SNTDEPJHKKSFMX-LJQANCHMSA-N 429.517 1.457 0 40 IDAB COC(=O)[C@@H](CNC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)Cc1ccc(O)cc1 78975023 DWOFOFSDMONIKW-DLBZAZTESA-N 439.468 1.751 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)c2cn(Cc3ccccn3)c(=O)c3ccccc23)CC1 79488560 WHAPTEXACBMIDP-UHFFFAOYSA-N 426.498 1.162 0 40 IDAB CC(=O)Nc1ccc(OC[C@@H](O)CN(c2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1 95117054 VEQJRPWKFKPLPI-IBGZPJMESA-N 435.502 1.809 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc(O)c4c(n3)CN(C(=O)C3CC3)CC4)C2)CC1 100238993 AIIWSAXHZNLGBY-YESZJQIVSA-N 428.533 1.998 0 40 IDAB COc1ccc(CN2CC3(C2)C(=O)N(Cc2ccc(C)o2)C(=O)[C@@H]2C[C@@H](O)CN23)cc1 225396916 HGORSZNODNTMTH-XLIONFOSSA-N 425.485 1.155 0 40 IDAB biogenic,in-vitro Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)/C=C/c2ccccc2)CC1 244986180 JJJLJHFTHHGGMR-UHFFFAOYSA-N 438.575 1.734 0 40 IDAB CCCN1C(=O)N[C@H](CC(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)C1=O 247979846 GWKZHOVYERIIQU-OKZBNKHCSA-N 439.516 1.641 0 40 IDAB CCOc1ccc(Cc2cc([C@@]34OC[C@@](CO)(O3)[C@H](O)[C@@H](O)[C@H]4O)ccc2Cl)cc1 255987059 MCIACXAZCBVDEE-ZGJYDULXSA-N 436.888 1.357 0 40 IDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408589840 FUPFKHNYNCFLGO-OAHLLOKOSA-N 448.497 1.900 0 40 IDAB Cn1nc(-c2ccncc2)cc1CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1775966397 BQSIYMAHFMYZRC-UHFFFAOYSA-N 441.513 1.433 0 40 IDAB Cc1ccsc1S(=O)(=O)N1CC[C@H]2C[C@H](C(=O)NCCN3CCCC3)O[C@H]2C1 2055718091 ITEQHHNHQRMRJW-BBWFWOEESA-N 427.592 1.437 0 40 IDAB COc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(OC)c1OC 3315552 MIGRMAQSSUONHD-UHFFFAOYSA-N 432.429 1.447 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)c(C)c1 3452500 ZAZTUKZHOMFPBX-UHFFFAOYSA-N 440.525 1.546 0 40 IDAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O 8987960 NGVSWCBMSIDOAC-NRFANRHFSA-N 446.410 1.309 0 40 IDAB Cc1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1S(=O)(=O)N1CCOCC1 9141362 XQQMOCXLPMSDBW-UHFFFAOYSA-N 448.497 1.825 0 40 IDAB COC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3ccc(I)cc3)C2=O)C1 9463386 VDXLWCZHWQJMLG-AWEZNQCLSA-N 442.169 1.209 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O 9492256 SWSHOUJNJUSDNU-SFHVURJKSA-N 426.448 1.776 0 40 IDAB O=C(NCCCc1ccccc1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 9576676 XYUSCMDSGAVGKG-HXUWFJFHSA-N 445.541 1.289 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(-n3nccc3C)cc2)CC1 9873658 YPTDJVZPOXMRTB-UHFFFAOYSA-N 429.502 1.932 0 40 IDAB COc1ccc(OCCOC(=O)[C@@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 9963671 XMDMXCTXSDIYHI-CQSZACIVSA-N 436.486 1.943 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NCc1ccccc1 11400304 RILBHRJCRFSMLI-UHFFFAOYSA-N 432.498 1.489 0 40 IDAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 12142007 QIUUAURSRKEDRU-CYBMUJFWSA-N 429.454 1.334 0 40 IDAB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 13041780 KYGQHFSUKXKKNQ-KKSFZXQISA-N 435.546 1.397 0 40 IDAB CCCCN(C(=O)c1nc2nccc(C)n2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13112624 CJPSPJHWMOYQPH-UHFFFAOYSA-N 448.487 1.360 0 40 IDAB O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14231163 NVZIBTLUWUZNEX-HNNXBMFYSA-N 425.938 1.412 0 40 IDAB Cn1c(=O)c2nc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n(C)c2n(C)c1=O 15882249 HRDLPHSFWSCIBA-UHFFFAOYSA-N 427.408 1.720 0 40 IDAB O=c1c(=NNc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)c(=O)c2ccccc12 16525171 IAQXEOSRKFVZAV-UHFFFAOYSA-N 447.430 1.268 0 40 IDAB CN(C)C[C@@H]1CN(S(=O)(=O)CCc2ccncc2)C[C@H]1c1ccnc(N2CCCC2)n1 19583338 DBLLOCRTUDBPHQ-WOJBJXKFSA-N 444.605 1.621 0 40 IDAB CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)N1CCCC[C@H]1C)c(=O)n2C 19625663 AQAUTAUKQDDKDI-CYBMUJFWSA-N 428.489 1.550 0 40 IDAB CNc1nc([C@H]2CCCN(CC(=O)N3CCC(C)CC3)C2)nc2c1CN(C(C)=O)CC2 19710472 HXKAOARHEKSINO-SFHVURJKSA-N 428.581 1.861 0 40 IDAB COC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 20005728 YUMDHBOPGDILGI-QAPCUYQASA-N 436.530 1.745 0 40 IDAB COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)NC1CCCC1)c(=O)n2-c1ccccc1 20345020 GILUCPVUYSWYII-UHFFFAOYSA-N 436.468 1.701 0 40 IDAB COc1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3CCN(C(C)=O)CC3)C2)cc1 20463253 ODQVZSIOVDUBSV-PMACEKPBSA-N 431.533 1.802 0 40 IDAB biogenic,in-vitro COCCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(CCO)CC2)c1=O 22697652 KSCMAOPJRZPAKD-OAQYLSRUSA-N 435.952 1.861 0 40 IDAB CC(C)(C)C(=O)NCc1ccc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)s1 22989322 UJVRBIUCQVOIHX-UHFFFAOYSA-N 444.575 1.808 0 40 IDAB NC(=O)C1CCN(C(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 26113219 YWBPNYHXCLWTIO-HXUWFJFHSA-N 443.525 1.508 0 40 IDAB COc1ccc(OCCN2CCN(C(=O)[C@H]3CCCN(c4cnccn4)C3)CC2)cc1 29756696 LAFYCESHAHRLRD-IBGZPJMESA-N 425.533 1.925 0 40 IDAB O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 32833284 GKVKQPYSEBQTOW-IBGZPJMESA-N 435.452 1.991 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1 32894303 QRGJBCRAIGKUED-UHFFFAOYSA-N 445.501 1.213 0 40 IDAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)cc1 45970382 JSQAKBVPPBBUJC-UHFFFAOYSA-N 443.485 1.505 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 67285890 XDZGRJMXLXGCLM-HXUWFJFHSA-N 446.504 1.039 0 40 IDAB CN(C)C(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@]12Cc1ccccc1C(=O)N2 72334455 HAHNDUMAVCXGIQ-GHTZIAJQSA-N 431.489 1.259 0 40 IDAB COc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1-n1nnnc1C 84297320 HDRCYFPRMWKDRD-OWQGQXMQSA-N 431.522 1.644 0 40 IDAB C[C@@H](O)[C@@H](O)/C=C/C=C/C(=O)O[C@@H]1C=C(C(=O)O)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 96111370 CDLCYGMBGYOXDH-VQVLKJNFSA-N 438.517 1.333 0 40 IDAB biogenic,in-vitro CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CCC(O)CC4)cc32)n1 96156475 OMLPDSSNBJLYHK-QGZVFWFLSA-N 433.534 1.367 0 40 IDAB COC(=O)[C@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccccn1)N(C)[C@@H]2c1ccccn1 100011233 NXOACBKUEYYEQP-WKZKVMAPSA-N 438.484 1.038 0 40 IDAB C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)C[C@@H](C)O1 215686002 HARZAVKWKDZNJH-JTNHKYCSSA-N 443.572 1.093 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccccc5)[C@@H]34)[C@@H]2C1=O 217612860 GBYMFODZINXBOP-MNNAGPFQSA-N 442.518 1.994 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 225201133 RWDDYPUPYIJHBI-AWEZNQCLSA-N 439.484 1.894 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3ncn[nH]3)CC2)cc1C 226080560 UZQFDCYNNOFZNK-UHFFFAOYSA-N 439.563 1.431 0 40 IDAB Cc1nc(C)c(CC(=O)NCc2ccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)cc2)c(O)n1 257201088 AGFUFMXZJROYQT-LRQRDZAKSA-N 425.489 1.765 0 40 IDAB Cn1ccc(C(=O)N2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)n1 306140656 UZUYMXJZFHBMCF-GCJKJVERSA-N 437.525 1.914 0 40 IDAB COc1ccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 408618613 KJZZRXCLBKPYMD-UHFFFAOYSA-N 433.530 1.339 0 40 IDAB CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCCOC)S(C)(=O)=O 409263945 JORCOFFXCCXEEZ-UHFFFAOYSA-N 449.529 1.866 0 40 IDAB CCCNC(=O)N[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O 514289327 QHDBSZVKXYPNKE-OKZBNKHCSA-N 430.471 1.665 0 40 IDAB biogenic,in-vitro O=C(Cc1ccccn1)N1CCC2(CC1)CCn1c2nn(Cc2ccccc2)c(=O)c1=O 585106525 NBXKVEBSQWNKIT-UHFFFAOYSA-N 431.496 1.355 0 40 IDAB O=C(Cn1nc(-c2cccs2)ccc1=O)NCCn1nc(C(F)(F)F)ccc1=O 1888947699 GQXJNOVGEULOJU-UHFFFAOYSA-N 425.392 1.364 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1 1363484 ATRCZJSPHUCMDO-INIZCTEOSA-N 445.607 1.642 0 40 IDAB CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2cc(CC(=O)OC)ccc2O1 1399662 RCKIBSYZUDIORJ-IBGZPJMESA-N 449.481 1.930 0 40 IDAB Cc1c(NC(=O)[C@@H](C)OC(=O)CNC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 3234186 CSWZMGCSVJBOKX-MRXNPFEDSA-N 436.468 1.785 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCOCCOCCOCC1 5298528 PSTTWFOGCFKEDV-UHFFFAOYSA-N 426.535 1.367 0 40 IDAB CCN(CC)CCCNC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6193106 PGABFHYVUGXPAY-UHFFFAOYSA-N 434.562 1.658 0 40 IDAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3ccc(-n4cnnn4)cc3)ccc21 8884631 HYPOBGRQOYNGOS-UHFFFAOYSA-N 441.469 1.414 0 40 IDAB CCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 9222799 KCQRVXMMORSCHQ-AWEZNQCLSA-N 429.429 1.341 0 40 IDAB CCn1cc(C(=O)NCCCCCC(=O)NCCCO)c(=O)c2cc3c(cc21)OCO3 9341397 JDOXDRPQYOJCIV-UHFFFAOYSA-N 431.489 1.539 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2ccn(Cc3ccccc3OC)c(=O)c2=O)c1 9405629 WOOMSZDCIVZJAU-UHFFFAOYSA-N 425.441 1.723 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccnn2Cc2ccccn2)cc1 9467445 GLXMLQIQYQHHOA-UHFFFAOYSA-N 442.501 1.544 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(=O)N1CCOCC1 9526116 VIZJWEVDCHORAT-UHFFFAOYSA-N 433.486 1.927 0 40 IDAB CC(=O)Nc1nonc1-c1nnc(SCC(=O)Nc2c(C)ccc3nsnc23)n1C 9581746 MCQFUWAFZKYCMJ-UHFFFAOYSA-N 445.490 1.867 0 40 IDAB COc1cccc(N2C[C@H](C(=O)Nc3cc(C)nn3-c3nc(C)c(C)c(=O)[nH]3)CC2=O)c1 9822364 ACDJSBOBSXTUBF-OAHLLOKOSA-N 436.472 1.881 0 40 IDAB COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 9961044 AGYJGEHBFOHXCZ-UHFFFAOYSA-N 435.502 1.647 0 40 IDAB CCN(CCc1ccncc1)S(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 11904932 XZYAOEQEYFTUDP-OAHLLOKOSA-N 437.543 1.647 0 40 IDAB CCN1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nn2)CC1 12276898 NNTYPCBWQXWOCG-UHFFFAOYSA-N 434.541 1.269 0 40 IDAB Nc1nccnc1C(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 12763405 DVJVQPZTUJMEJE-UHFFFAOYSA-N 425.518 1.194 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCN3CCCCCC3=O)c2)CC1 12852466 BVZMWFASYIQIIU-UHFFFAOYSA-N 436.578 1.145 0 40 IDAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)C1CCCCC1 15038649 BAKXTZSOLZISKA-UHFFFAOYSA-N 429.489 1.494 0 40 IDAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 15940503 DLUSVNMIAMFDMG-NSHDSACASA-N 426.502 1.488 0 40 IDAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 17053142 AQTHGUHGTFEHFE-UHFFFAOYSA-N 427.526 1.889 0 40 IDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 17797036 INQBYGSBEUDOCT-UHFFFAOYSA-N 444.488 1.528 0 40 IDAB C[C@@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 18813069 KASOSUDXGITZSA-DGCLKSJQSA-N 444.893 1.215 0 40 IDAB CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)c4n[nH]c(=O)c5ccccc45)CC3)cc2n1 19585743 ZMOWIAOPSYUKMV-UHFFFAOYSA-N 445.483 1.640 0 40 IDAB COc1cc(CN2CCO[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)ccc1OCC(N)=O 19693798 VGUANZQPFYNNQT-JOCHJYFZSA-N 437.500 1.928 0 40 IDAB Cc1nc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)nc2c1CCC(=O)N2CC1CC1 19741431 HLMIEKNUUPEZEL-QGZVFWFLSA-N 433.578 1.994 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(NCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 32891466 KSDJFRAOTCYITG-CYBMUJFWSA-N 437.971 1.086 0 40 IDAB COc1ccccc1NC(=O)CNC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 33889766 BODVAWUTDKJLSN-MUDKKEKZSA-N 436.461 1.146 0 40 IDAB C[C@@H]1CN(S(=O)(=O)N2CCN(Cn3c(=S)oc4ccccc43)CC2)C[C@@H](C)O1 36823750 UDAQHNKEPMDNOH-HUUCEWRRSA-N 426.564 1.893 0 40 IDAB COc1ccc(Cl)cc1NC(=O)Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O 67245864 UIUAIAFAVOHGFP-UHFFFAOYSA-N 441.893 1.170 0 40 IDAB CC1CCN(C(=O)CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)CC1 72394434 TZXKDNMAQJTOIW-UHFFFAOYSA-N 435.590 1.934 0 40 IDAB CC(=O)O[C@@H]1[C@@H](C)O[C@@H](n2cc(F)c(NC(=O)OCCC(C)C)nc2=O)[C@@H]1OC(C)=O 77291266 KXINDFSMIQLNEG-GWBBYGMBSA-N 443.428 1.758 0 40 IDAB in-vitro Cn1cnc(S(=O)(=O)N2CCC3(CC2)CCn2c(-c4ccc(C(N)=O)cc4)cnc23)c1 96080106 BUVZCSUASJLUEA-UHFFFAOYSA-N 440.529 1.509 0 40 IDAB COc1ccc(-c2nc(SC(C(C)=O)C(C)=O)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 100830862 FYQYQYRCMMLLSM-UHFFFAOYSA-N 428.470 1.342 0 40 IDAB O=C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1Cc1ccco1)[C@H]1[C@H]2C(=O)N(Cc4ccco4)C(=O)[C@@H]2[C@H]31 101171339 WSVQHUCRCMDNNU-JWYIDPQISA-N 432.432 1.837 0 40 IDAB Cc1cccc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 224713398 UQMRAKNJCQHXAW-UHFFFAOYSA-N 431.558 1.910 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)ccc1OC 224731736 KIKUDQBXQKMRMF-UHFFFAOYSA-N 433.530 1.366 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 226035038 RITPMHWEIVYOPI-UHFFFAOYSA-N 425.532 1.303 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCSc2ncn[nH]2)cc1C 226065243 LXWPRMXKZSEYPP-UHFFFAOYSA-N 427.552 1.431 0 40 IDAB CCn1ncc(S(=O)(=O)N2[C@H]3CC[C@H]2c2cnc(N4CCC[C@H](O)C4)nc2C3)c1C 257320631 VXPXUEVBTRWAKR-MPGHIAIKSA-N 432.550 1.413 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2COc3ccccc3O2)cc1OC 260899374 KYTOBQJAMKIFTA-AWEZNQCLSA-N 436.486 1.281 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)OCCCCN2C(=O)c3ccccc3C2=O)cc1 3350280 RWXYCZPTBSAFPJ-UHFFFAOYSA-N 430.482 1.893 0 40 IDAB CC(=O)O[C@@H]1CO[C@@H](n2cc(C(=O)C(=O)O)c3ccccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 6073936 GKASZHXFBQGIKI-VBSBHUPXSA-N 447.396 1.233 0 40 IDAB CCOC(=O)c1sc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c(C(=O)OCC)c1C 9962760 QRHXGZYSACIMPI-GFCCVEGCSA-N 446.547 1.467 0 40 IDAB O=C(CSc1nncn1-c1ccccc1F)N1CCN(CC(=O)N2CCCC2)CC1 12554734 FHZMZQIGIGNKTC-UHFFFAOYSA-N 432.525 1.265 0 40 IDAB CCCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 12639172 YWSNOUOAGYMWKV-UHFFFAOYSA-N 430.484 1.339 0 40 IDAB CN(CCOc1ccccc1F)C(=O)CCn1c(=O)oc2cc(S(N)(=O)=O)ccc21 12764589 YGHWBYTZZSESNA-UHFFFAOYSA-N 437.449 1.309 0 40 IDAB C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1C(=O)N[C@@H](C)c2nc3ccccc3c(=O)n21 15219741 DQQCCKFZJNINST-VCPZKGNQSA-N 445.479 1.071 0 40 IDAB biogenic,in-vitro COc1cc(CNC(=O)CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(OC)c1 16029540 VLNAWMFOCUFEON-ZWKOTPCHSA-N 439.512 1.908 0 40 IDAB biogenic CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C 17287790 KRJCEVJXAUOQTM-UHFFFAOYSA-N 442.563 1.469 0 40 IDAB Cn1cnc2c(=O)oc3ccc(S(=O)(=O)N4CCN(c5ccccn5)CC4)cc3c21 19014926 JGPGVAVSSALFGS-UHFFFAOYSA-N 425.470 1.586 0 40 IDAB O=C(c1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCN(CCO)CC1 19372512 GEMQBQGHFLCOLR-DHIUTWEWSA-N 439.531 1.893 0 40 IDAB COc1ccc2[nH]cc([C@H](O)CN3CCN(S(=O)(=O)N4CCC(C)CC4)CC3)c2c1 19496931 LGUREZRHRFECEL-OAQYLSRUSA-N 436.578 1.804 0 40 IDAB CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccc(F)cc1)C(=O)C2 19744268 HXFSFYGNCZVGIA-LJQANCHMSA-N 439.491 1.856 0 40 IDAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(CC)CC3)cc2c1 19973328 SJAKSCMDWDORCP-FQEVSTJZSA-N 441.536 1.287 0 40 IDAB COc1c2c(cc3c1[C@@H](c1c(O)n(-c4ccc(C)cc4)c(=O)[nH]c1=O)N(C)CC3)OCO2 20111637 KXIJSSQQEJKUKK-SFHVURJKSA-N 437.452 1.854 0 40 IDAB biogenic Cc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1 20638896 NPCYCUHINWNFNG-JOCHJYFZSA-N 449.555 1.473 0 40 IDAB CN1CCN(C(=O)c2cc(-c3cccs3)n(CC(=O)NCCCn3ccnc3)n2)CC1 23142261 IQXBYSOYJBIJAX-UHFFFAOYSA-N 441.561 1.402 0 40 IDAB COc1cccc(CN2CCN(CC(=O)Nc3nc(C)c(C(=O)N(C)C)s3)CC2)c1 23251029 BYMSGLYNOREDBU-UHFFFAOYSA-N 431.562 1.918 0 40 IDAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)NC3=NS(=O)(=O)c4ccccc43)CC2)cc1 33029130 URHQNSLIOMAYBT-OAHLLOKOSA-N 440.525 1.665 0 40 IDAB CC(=O)N[C@@H]1[C@H](OCC(=O)O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1Oc1ccccc1 35057608 DVENRNKFWMZEEL-MPCGXSPRSA-N 443.452 1.879 0 40 IDAB COCCn1c2c(c(=O)[nH]c1=O)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(O)=N2 61720944 UMUYXLGUVCEZRR-LLVKDONJSA-N 426.351 1.916 0 40 IDAB COc1ccc(NC(=O)CN(C)[C@H]2CCC[C@@H]2O)cc1S(=O)(=O)N1CCCCC1 79045822 IBTNRIZEGJDDLD-IRXDYDNUSA-N 425.551 1.654 0 40 IDAB COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)N(C)C)CC3)O2)cc1 96036733 UXDMGMUCFRURDU-GOSISDBHSA-N 427.505 1.580 0 40 IDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1Cc1ccccc1CN1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 104161673 AFZBOEIXLDLNRS-KKVRMWHZSA-N 436.464 1.011 0 40 IDAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 223849441 GOTNLDZQRZWLKT-UHFFFAOYSA-N 434.514 1.997 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cccc(N3CCCC3=O)c2)cc1 224238729 MQRYENIBPGQSCI-UHFFFAOYSA-N 431.514 1.873 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225395169 SOIMRRPOKHCDBL-CYBMUJFWSA-N 449.916 1.648 0 40 IDAB O=C(CN1CC[C@](O)(CN2CCC(F)(F)CC2)C1)Nc1ccccc1N1CCOCC1 257220524 DLCUXXYOXRFXOW-NRFANRHFSA-N 438.519 1.630 0 40 IDAB O=C(Cc1ccccc1)N1CC[C@H]2Cn3c(nn(Cc4cccc(F)c4)c(=O)c3=O)[C@H]2C1 306124661 BWAWGIOGKGLRAC-ICSRJNTNSA-N 434.471 1.781 0 40 IDAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Br 408595885 XPCPDZXCAZFPAY-IZZDOVSWSA-N 427.207 1.368 0 40 IDAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cnc4ccccc4n3)C2)cc1 618254962 IJIJLSJULJORFO-OAHLLOKOSA-N 428.470 1.336 0 40 IDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC[C@H](CO)c1ccc(Cl)cc1 673373479 PSBIAQPOUZVGSJ-GOSISDBHSA-N 427.888 1.604 0 40 IDAB Cc1cc([C@H](O)[C@H](O)CO)c(Cc2ccc(N[C@@H]3CC(=O)O[C@@H]3/C=C/[C@H](C)O)cc2)o1 1772591825 QZRCQDUNRLFOKR-FUCKWQMSSA-N 431.485 1.598 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)cc1C(N)=O 1888899257 ZOHCQZJIEIWTSU-HUUCEWRRSA-N 443.529 1.218 0 40 IDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 2641420 FNMCVLXIDCYFLK-UHFFFAOYSA-N 445.950 1.210 0 40 IDAB COCc1c(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)oc2ccccc12 3170493 SBRAQCNVJDHXJG-UHFFFAOYSA-N 443.456 1.718 0 40 IDAB O=C(OCn1nnc2ccccc2c1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3445964 MIQDDLFDPCMJCK-UHFFFAOYSA-N 428.470 1.781 0 40 IDAB CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)C(=O)N1CCC[C@@H]1C(N)=O 4388794 GQMGPKYVBVSMLI-ALYAQQCSSA-N 440.585 1.933 0 40 IDAB C[C@@H](OC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)NCc1ccc2c(c1)OCO2 9161857 CNAZYGMDGCHVOP-BMFZPTHFSA-N 430.457 1.529 0 40 IDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9349424 ANQNRQPJEBRKJQ-BSTRVPIWSA-N 431.518 1.174 0 40 IDAB O=C(O)c1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1 9418751 BGARIECHKROLBN-MRXNPFEDSA-N 449.407 1.806 0 40 IDAB O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)NC[C@@H]1COc2ccccc2O1 9516669 XOVDEMDMTKQIGS-CHWSQXEVSA-N 439.515 1.095 0 40 IDAB CCOC(=O)c1sc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c(C(=O)OCC)c1C 9962762 QRHXGZYSACIMPI-LBPRGKRZSA-N 446.547 1.467 0 40 IDAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 12389593 JYEZFDGWZBYRKS-UHFFFAOYSA-N 442.906 1.571 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)CC2=O)c1 12389966 WCPYTVBMQWXLOW-AWEZNQCLSA-N 431.470 1.512 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CC(=O)Nc4ccccc43)CC2)s1 15098472 YTGHLVCWCLRLHG-OAHLLOKOSA-N 448.570 1.737 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)/C=C/c3ccccc3)CC2)c1 15927783 XFBDKQGMSCPTGK-ZHACJKMWSA-N 441.553 1.966 0 40 IDAB O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(c2cccc(Cl)c2Cl)CC1 16849982 WNKXGYHGCYZLNU-UHFFFAOYSA-N 434.345 1.984 0 40 IDAB C[C@H](C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C)n1ncc2ccccc2c1=O 19078150 DRYFCWVGOALEEO-OAHLLOKOSA-N 432.484 1.551 0 40 IDAB NC(=O)CN1CCN(c2nc(-c3ccccn3)nc3c2CCN(Cc2ccccc2)C3)CC1 19372371 XOSJGKVDLSMHGA-UHFFFAOYSA-N 443.555 1.704 0 40 IDAB Cc1nc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)ncc1C(=O)N1CCCCC1 19763319 UCKCZJCXOVYQCS-MRXNPFEDSA-N 432.550 1.713 0 40 IDAB COC(=O)c1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 20048939 DSXNBODGTFKBSG-UHFFFAOYSA-N 438.527 1.310 0 40 IDAB Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1cccc(Cl)c1 20517837 AYWKIPLDCMZGTC-UHFFFAOYSA-N 442.907 1.433 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20548882 PYQOJUKCUHSMAI-QPXQOZNCSA-N 439.443 1.141 0 40 IDAB O=C(NCCNS(=O)(=O)c1cccs1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 20723563 XFHXCSYVZOQIDJ-GFCCVEGCSA-N 427.935 1.849 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)cc1 30586435 MIHIHOOPTWIEQW-GJZGRUSLSA-N 435.468 1.790 0 40 IDAB Cc1c(CCC(=O)NCC(C)(C)N2CCc3ccccc3C2)c(=O)[nH]c2c1c(=O)[nH]n2C 30637420 JTYCGQGQPIVXLT-UHFFFAOYSA-N 437.544 1.749 0 40 IDAB O=C(NCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccco1 31051718 YRTKIFZZHXQORV-NSHDSACASA-N 431.923 1.694 0 40 IDAB O=C(CP(=O)(O)O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 31750010 FKUGSGPZQIDQDT-QGZVFWFLSA-N 435.369 1.526 0 40 IDAB O=S1(=O)CC[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 32652483 PLVABQVIAHDZQK-LLVKDONJSA-N 446.900 1.852 0 40 IDAB CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccsc2)c(=O)n1CC(=O)NCC(F)(F)F 33489325 XTMCJWRLLQFKRG-XTXNDRQPSA-N 432.489 1.874 0 40 IDAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCN1CCOCC1 38556537 LHBBOXQSDIWEGA-UHFFFAOYSA-N 445.585 1.589 0 40 IDAB Cc1ccc(C(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1O 40051670 SESMAZMSRNHQBY-UHFFFAOYSA-N 429.448 1.779 0 40 IDAB CC(C)N1C(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)cc2S1(=O)=O 48303422 LOLYFJZHMKMYBH-INIZCTEOSA-N 433.530 1.618 0 40 IDAB COc1cc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)cc(OC)c1 49409099 ZXJUNZYZNGZOIK-UHFFFAOYSA-N 449.529 1.925 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(S(=O)(=O)c2cccs2)CC1 56908057 ZRZAKBMGLZSLAQ-OAHLLOKOSA-N 444.604 1.432 0 40 IDAB O=C(Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O)NC1CCCC1 65101359 IOHXJGJXXDGHFT-UHFFFAOYSA-N 444.561 1.407 0 40 IDAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)CNS(C)(=O)=O)C1 72391192 PKBWJGOSAAQOST-OAQYLSRUSA-N 449.598 1.862 0 40 IDAB Cc1nc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc(-n2cccc2)n1 90607835 JHGUYDHBOALCJQ-UHFFFAOYSA-N 426.502 1.186 0 40 IDAB CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)c1 96395259 MZYYKKZVNUIPRU-CQSZACIVSA-N 442.505 1.284 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222839598 RBDKDABBFGWNEU-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)c1 223230855 HGURGJBNBRZGRQ-UHFFFAOYSA-N 428.518 1.919 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 252427596 PTESZMAJJORWNU-DLBZAZTESA-N 441.525 1.170 0 40 IDAB COCC(=O)N1CCC2(CC1)CN(Cc1ccc(C)cc1)S(=O)(=O)c1cccnc1O2 306142181 WSCSBQGIFINUDR-UHFFFAOYSA-N 445.541 1.981 0 40 IDAB NC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1 409134714 SYEZGEQTLFSXRG-UHFFFAOYSA-N 445.541 1.310 0 40 IDAB O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H](Cc1c[nH]c2cccc(Br)c12)C(=O)O 583770694 PYDWHXRJWDEXHQ-IINYFYTJSA-N 443.319 1.867 0 40 IDAB COCC(=O)N1CCN(CC2(O)CCCCC2)C[C@@](O)(COc2cccc(F)c2F)C1 585287640 PUEBEROWOVICPC-QFIPXVFZSA-N 442.503 1.561 0 40 IDAB CCn1cc(S(=O)(=O)N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)nc1C 1888866782 PAABUABGGLMSIN-CHWSQXEVSA-N 430.456 1.777 0 40 IDAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1C[C@@H]2CN(c3ncncc3C)C[C@@H]2C1 1889237068 GHLZAAADKWNGRG-CALCHBBNSA-N 432.484 1.548 0 40 IDAB COc1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)CC1 818181 FRZLQAWEADKXQX-UHFFFAOYSA-N 447.557 1.982 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)cc1 2419553 DPJYGCOINDOQIA-CQSZACIVSA-N 425.445 1.377 0 40 IDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)c2cccn2C)c1 3363541 YCWXHUVYNJBSRS-UHFFFAOYSA-N 427.866 1.042 0 40 IDAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1C 3424122 MZTYBABVDVHHDR-CQSZACIVSA-N 447.513 1.777 0 40 IDAB C[C@@]1(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CCS(=O)(=O)C1 8670713 QAUHMGVOCAGJCO-QGZVFWFLSA-N 434.967 1.822 0 40 IDAB CC[C@@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 9218369 SPASYDSRAQJQDN-UZLBHIALSA-N 441.557 1.884 0 40 IDAB C[C@H](OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCc1ccc2c(c1)OCO2 9283306 YGJZNQGIZOVOMS-NSHDSACASA-N 426.347 1.844 0 40 IDAB COc1ccc(/C=C2\SC(=O)N(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 9429838 HISNUMGDGYSLQC-HNDQUVLASA-N 438.527 1.767 0 40 IDAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CNC(=O)c2ccco2)c1 9493018 MLHVVXSDKGBRDH-UHFFFAOYSA-N 443.865 1.095 0 40 IDAB COCC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1 12480829 MRVGDKWBPBIUCR-CADBVGFASA-N 431.533 1.243 0 40 IDAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 12557041 RQNVPQNJHVFRHM-UHFFFAOYSA-N 447.560 1.165 0 40 IDAB COc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1S(=O)(=O)N1CCOCC1 12601318 KTFHGOYVHDIBIK-UHFFFAOYSA-N 436.515 1.607 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 12786805 FHXRNLUSGFEABH-QGZVFWFLSA-N 438.575 1.311 0 40 IDAB COc1ccc(CNC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 13016570 PUCCJRVUXLHXHX-MRXNPFEDSA-N 435.521 1.846 0 40 IDAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 13149018 FDGLCEVJBHVJCL-JOCHJYFZSA-N 439.424 1.982 0 40 IDAB O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)OC[C@H]1CCCO1 13265712 DZGAFQCKEVKVMJ-MRXNPFEDSA-N 425.489 1.511 0 40 IDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)n1 15379326 ZWXBOVGLMRSCAJ-UHFFFAOYSA-N 437.547 1.648 0 40 IDAB C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 16970747 DYVKEUJHAHTUEI-RHSMWYFYSA-N 437.518 1.166 0 40 IDAB Nc1c(C(=O)[C@@H]2CCN(C(=O)COCCN3CCCC3=O)C2)cnn1-c1ccccc1 19374454 UETJNHFKGMUIBG-MRXNPFEDSA-N 425.489 1.125 0 40 IDAB CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 19738665 HIMGCXQZAUBIME-HNNXBMFYSA-N 441.513 1.742 0 40 IDAB O=C1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 19961054 SQPAGGSTYRCNLM-GFCCVEGCSA-N 437.378 1.690 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 20724429 RDYHEOYNNOBDEX-UHFFFAOYSA-N 434.518 1.534 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NCc2ccc(OC)cc2)cc1 22228292 NCLFPSPGBBODTD-UHFFFAOYSA-N 447.557 1.701 0 40 IDAB C[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22335459 NLAXHGAGPJSXLG-ZDUSSCGKSA-N 428.507 1.873 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 25857048 LLLZTLNRVDGSDO-HXUWFJFHSA-N 435.477 1.922 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O 32934437 BPXPZSJXAPFRON-UHFFFAOYSA-N 430.468 1.968 0 40 IDAB Cc1cccc(OC[C@H](O)Cn2c(NCCCOC(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 37866242 CBUKOAZGSAQYSF-MRXNPFEDSA-N 445.520 1.399 0 40 IDAB Cc1cc(C)n(-c2cc(NCCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ncn2)n1 38670404 ZIQYSDKABYPCTL-UHFFFAOYSA-N 443.533 1.371 0 40 IDAB CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 57730053 VICHYBXLAXJKAU-AWEZNQCLSA-N 443.485 1.319 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@@H]1CN(Cc2ccccc2)CCO1 58055691 JIODJSMTHTYTTH-NHCUHLMSSA-N 432.590 1.850 0 40 IDAB COc1ccc(-n2cnnc2SCC(=O)N(CCC(F)(F)F)C[C@H](O)CO)cc1 89455560 DPICLNNWQQMWLY-ZDUSSCGKSA-N 434.440 1.502 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@@H](C(=O)OC)[C@H]3C2=O)cc1 101027677 OGHTWSBACFWVHF-MDZLAQPJSA-N 448.478 1.534 0 40 IDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)C1 222617252 KGECJGXBPCWSOA-CYBMUJFWSA-N 438.506 1.432 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222839270 UGHDJBWKZUXCDW-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB COc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1OC 225598624 QOHKHUZZFVOXJQ-UHFFFAOYSA-N 437.522 1.044 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1 225975714 NXQDAXWNRJHFTA-UHFFFAOYSA-N 439.559 1.822 0 40 IDAB CC(C)[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C[C@H]([C@H]2C=C[C@@H](C)C2)C1=O 245229366 WBHZECPWZFPNII-AHMDFLBRSA-N 433.530 1.884 0 40 IDAB O=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1cccc(OCCN2CCCC2)c1 257289262 PXVFAYNTEUQMCL-QHCPKHFHSA-N 425.533 1.713 0 40 IDAB COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1 408621110 LAYMVZBMGHMOKW-UHFFFAOYSA-N 448.497 1.820 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O 408629643 FNYXZFWGFCWQRH-UHFFFAOYSA-N 449.529 1.866 0 40 IDAB NC(=O)C1CCN(C(=O)[C@@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC23CCOCC3)CC1 585101988 RDIHARGQYWNAJL-AWEZNQCLSA-N 443.470 1.381 0 40 IDAB C[C@H]1C[C@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C(=O)N1c1cnn(C)c1 645037758 KTTVFNTVZYQGFR-AAEUAGOBSA-N 444.293 1.729 0 40 IDAB O=C1CCc2cc(S(=O)(=O)N3CC(n4nc(-c5ccncc5)ccc4=O)C3)ccc2N1 1775976670 CYVNTFWMBNRQSY-UHFFFAOYSA-N 437.481 1.436 0 40 IDAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1ccc(C(F)(F)F)cc1 2332241994 HOCVOMOFKUKXOZ-BZSNNMDCSA-N 426.439 1.131 0 40 IDAB CC(C)[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N[C@H](C)C(=O)O 2146572 OIQGFFMZWQWBET-XCLFUZPHSA-N 444.484 1.781 0 40 IDAB biogenic COc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(F)cc4)sc3nc2=O)cc1OC 2260265 PGLJYEYGSGUWDL-WQRHYEAKSA-N 425.441 1.806 0 40 IDAB CCN1C(=O)[C@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2cccnc2)C1=S 8869333 UUHWXGUGBSIGBW-KRWDZBQOSA-N 425.514 1.293 0 40 IDAB CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)CC1 9095646 ZHHGESMXUQVUEJ-PKOBYXMFSA-N 449.573 1.755 0 40 IDAB O=C(c1cccs1)N1CCC[C@H]1C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9283083 MSKBVOIWUWCJQK-PMPSAXMXSA-N 426.560 1.547 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNCCc1ccc(F)cc1 9491815 SJQUSCORYFXDJP-UHFFFAOYSA-N 435.521 1.926 0 40 IDAB CC(C)CNC(=O)CNC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 9546801 RIZGEOSPNTUPQG-UHFFFAOYSA-N 427.542 1.799 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1c(F)cccc1Cl 12444943 HQDZLXPRQSPLSH-UHFFFAOYSA-N 427.889 1.151 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)[C@H](C)O)CC1 12865807 NXADUFFZUKDORH-VRKREXBASA-N 443.541 1.115 0 40 IDAB biogenic COc1ccc(N([C@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1Cl 13679682 JIKRGRTUENZQEK-CQSZACIVSA-N 433.958 1.342 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccccc3)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16024856 BKZUKLLYKBUEHA-PUFAWVJESA-N 433.508 1.913 0 40 IDAB CC(C)N1CCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cc(Cl)ccc2N3)CC1 19447983 BJUAIJPSJFYNGX-QFIPXVFZSA-N 447.967 1.757 0 40 IDAB CNc1cc(C(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)ccn1 19703141 YUFXDBPPQXXQOG-OAHLLOKOSA-N 441.513 1.669 0 40 IDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1nc(N)nc(Nc3ccccc3)n1)C2=O 20067421 INWUYZYDBFASQN-YEJXKQKISA-N 439.476 1.741 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccc(OC)cc1 20636942 AHZGAOYLXUFXBJ-IRXDYDNUSA-N 432.477 1.176 0 40 IDAB Nc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1 20816397 NKHGGCGQDKHJSL-UHFFFAOYSA-N 449.583 1.899 0 40 IDAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(N3CCOCC3)nc2)c1 21122206 KNJNOXNBOZFYKM-UHFFFAOYSA-N 448.545 1.081 0 40 IDAB O[C@H](COC[C@@H]1COc2ccccc2O1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22030661 GUHDTWDLNKNVAW-VQTJNVASSA-N 442.512 1.750 0 40 IDAB Cn1ccnc1[C@@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1 32881942 LPRUVGXNBJCGLA-KRWDZBQOSA-N 425.880 1.813 0 40 IDAB O=C(CCC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc2c(c1)OCCCO2 36384051 LRKCCKZRMSLRQP-UHFFFAOYSA-N 429.517 1.577 0 40 IDAB C[C@@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)c1ccc(NS(C)(=O)=O)cc1 40161887 MDXGZLJIJDAFPT-GFCCVEGCSA-N 448.453 1.331 0 40 IDAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(ncn2[C@@H]2CCS(=O)(=O)C2)c1=O 41104931 PWYJVKUILZSCAS-GFCCVEGCSA-N 435.893 1.553 0 40 IDAB O=C(Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)N1CCN(c2ccc(F)cc2)CC1 49408969 IZPKHBBZYVYTTP-UHFFFAOYSA-N 448.520 1.121 0 40 IDAB O=C(O)c1cnc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1N1CCOCC1 49469426 CDGWFVIJGSXICV-UHFFFAOYSA-N 446.529 1.581 0 40 IDAB CCOC(=O)CNC(=O)Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21 67318316 IATLKORQHBATFI-UHFFFAOYSA-N 433.424 1.793 0 40 IDAB O=C(Nc1ccsc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1cnccn1 67335859 HNESBRUGRGDQTJ-UHFFFAOYSA-N 428.518 1.171 0 40 IDAB CCCC(=O)NC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cc(OC)ccc2OC)C1 84739886 SZBPPQFLYGFQMP-HNNXBMFYSA-N 441.550 1.137 0 40 IDAB COCCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(S(N)(=O)=O)ccc21 100872954 HMYKRTZRRSZXMG-VZCXRCSSSA-N 435.527 1.893 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)CCc2ccccc2)sc2cc(S(N)(=O)=O)ccc21 100876811 PEJYJTCGRXEYEW-VZCXRCSSSA-N 433.511 1.583 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCN(C)c3ccccc3)c2)CC1 219974298 SLYNGRKPTPVCKC-UHFFFAOYSA-N 430.574 1.879 0 40 IDAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223527317 MYPXYVPAOZNOKP-OAHLLOKOSA-N 429.498 1.385 0 40 IDAB CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1ccccc1)S(C)(=O)=O 223676877 JBBVKOWMTLOTFM-LBPRGKRZSA-N 444.560 1.987 0 40 IDAB Cn1nc([C@@H]2CN(S(=O)(=O)N3CCCC3)CCO2)cc1CCOc1ccccc1F 257273832 NIKSVQFFPFBRFV-FQEVSTJZSA-N 438.525 1.895 0 40 IDAB CN1CCN(C(=O)C[C@H]2CN(C(=O)Cn3ccnc3)CC[C@@H]2Oc2ccccc2)CC1 257279730 OHXWKURZLNZBJP-FPOVZHCZSA-N 425.533 1.343 0 40 IDAB COc1ccc(CN2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)cc1 306123984 BCFLDSSVRSZCIE-JOCHJYFZSA-N 439.541 1.774 0 40 IDAB COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(O)c(OC)c2)C1=O 408548611 JRXMFVXZXDUTAC-RUDMXATFSA-N 432.170 1.071 0 40 IDAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 408601001 DIHHFKJHUWBVHK-UHFFFAOYSA-N 447.557 1.335 0 40 IDAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705124 YLYLUYCEXXOOIO-ZDUSSCGKSA-N 434.470 1.657 0 40 IDAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O 409228719 DAKZGECRACPQEZ-IQGJIOQQSA-N 448.497 1.912 0 40 IDAB COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H]1O 514289150 WEJYBCAYLZTIHJ-BSWAZPDLSA-N 433.427 1.946 0 40 IDAB biogenic,in-vitro COc1ccc(Cn2nnnc2CN(CCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 1326894 RFGMQDOKVDNGKA-UHFFFAOYSA-N 434.500 1.874 0 40 IDAB NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(F)cc3)C(=O)N12 2968321 YTVXHNXUOXVTNH-INIZCTEOSA-N 439.472 1.709 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2nnc3ccccc32)cc1 3243058 FNFLQLWUMOQXMU-UHFFFAOYSA-N 445.501 1.644 0 40 IDAB C[C@@H](OC(=O)CCc1nc(=O)c2ccccc2n1C)C(=O)NCc1ccc2c(c1)OCO2 3303421 CEKPIULGSSGDBI-CQSZACIVSA-N 437.452 1.843 0 40 IDAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@]12C(=O)N(C)c1ccccc12 9189932 PUOWCWVVJSTFJV-DEOSSOPVSA-N 447.447 1.796 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 9636803 QHNUAZWNAPSBQV-JRSUCEMESA-N 437.445 1.030 0 40 IDAB COC(=O)CCn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4OC)c(C)cn23)n(C)c1=O 9713089 VDXNQEJCYUSVPH-UHFFFAOYSA-N 445.863 1.672 0 40 IDAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 9722586 JZKPSCUBDOKSAU-UHFFFAOYSA-N 441.531 1.383 0 40 IDAB Cn1c(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)nnc1-c1ccncc1 9812721 CLHMVKAXKJIVGR-HXUWFJFHSA-N 437.485 1.468 0 40 IDAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 9956405 BAJBRQRAJSBGLL-UHFFFAOYSA-N 438.527 1.504 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@H](c2cccc(O)c2)n2nnnc2N1 10232386 GOAWPCUOXXUHRH-SFHVURJKSA-N 437.412 1.721 0 40 IDAB CN1CCN(n2c3c(c(SCC(=O)N4CCc5ccccc54)nc2=O)CCC3)CC1 10255112 ABIDCXQCHKXAIZ-UHFFFAOYSA-N 425.558 1.297 0 40 IDAB O=C(OCn1nnc2ccccc2c1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 12530245 MYIWBIVVTRWCFG-UHFFFAOYSA-N 440.437 1.678 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 12938910 OBNBHYQEYRONSE-HGJUEJDCSA-N 438.429 1.457 0 40 IDAB COc1cccc(N2C[C@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)CC2=O)c1 13022433 SVZZGCUFYYPJJN-MRXNPFEDSA-N 431.514 1.451 0 40 IDAB COCCN(C(=O)c1cc(Cl)ccn1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13108608 ANKRDGGWKWZOPQ-UHFFFAOYSA-N 429.864 1.509 0 40 IDAB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13573200 SCWXIHJWDBJOSQ-CMCWBKRRSA-N 437.471 1.825 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 17098983 YHRPWMBGGGIXTB-UHFFFAOYSA-N 434.543 1.658 0 40 IDAB CCn1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)n1 17102246 SKBZIECTXYCANI-XYSGSMRZSA-N 438.509 1.633 0 40 IDAB Cc1cccc(C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c2cccc(C)c2)c1 18032211 XFCIZTGHDXDPBB-UHFFFAOYSA-N 426.469 1.940 0 40 IDAB Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)CC1(CCOCC1)O2 19218705 WNJJMDQWDZHXPZ-HXUWFJFHSA-N 436.530 1.072 0 40 IDAB Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)c1 19234426 ACBOMLXIFYPFGN-GOSISDBHSA-N 430.530 1.763 0 40 IDAB COCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699636 YDBDKAVHHDHFEB-HXUWFJFHSA-N 442.560 1.643 0 40 IDAB Cc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12 22385754 AXVVAIMWTDLAFV-UHFFFAOYSA-N 436.516 1.396 0 40 IDAB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 22795787 WUUJBSUZZFNYQT-OAQYLSRUSA-N 428.508 1.555 0 40 IDAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2CN2CCN(c3ncccn3)CC2)C1 23883423 LSNSMACVATYTNP-KRWDZBQOSA-N 426.546 1.583 0 40 IDAB Cc1nc(NC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)sc1-c1nccn1C 25143614 DDQRCLODODBXDL-UHFFFAOYSA-N 442.505 1.018 0 40 IDAB CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)CC1 30870484 QJAFAFMPNGKQTE-UHFFFAOYSA-N 444.395 1.765 0 40 IDAB NS(=O)(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1 32979966 YDIVCXMUOAVYEM-IBGZPJMESA-N 427.530 1.878 0 40 IDAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1ccc(S(N)(=O)=O)cc1 33005232 YJTKFVAOBASDQV-KRWDZBQOSA-N 425.457 1.683 0 40 IDAB O=C(NCC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 35312009 ZRXYCBANHJOLAW-QGZVFWFLSA-N 432.550 1.760 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cn4cccnc4n3)CC2)cc1 58086145 DCKTVYIRNHFTPQ-UHFFFAOYSA-N 443.485 1.053 0 40 IDAB CC(C)C(=O)Nc1cccc(NC(=O)NCC(=O)N2CCN(c3cnccn3)CC2)c1 58315311 FZXDGIXPHAAWGK-UHFFFAOYSA-N 425.493 1.541 0 40 IDAB COc1ccccc1N1CCN(C(=O)Cn2nc(N3CCC(C)CC3)ccc2=O)CC1 61719116 QEGSJBPORQKLEK-UHFFFAOYSA-N 425.533 1.837 0 40 IDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@H](c1cccs1)N1CCOCC1)C2=O 68783156 OMBTXRBPJZOEOW-QYWGDWMGSA-N 434.562 1.738 0 40 IDAB CN1C(=O)CO[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]1c1ccc(Cl)cc1 72241358 NYUVNWMAWSUDGE-MOPGFXCFSA-N 431.876 1.816 0 40 IDAB CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCSc1nnnn1-c1ccccc1 96306444 KNLXHGKELCIMNI-UHFFFAOYSA-N 441.521 1.038 0 40 IDAB COCC(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C2CCOCC2)CC4)C1 100233639 HTFZWPJCLDSROU-HNNXBMFYSA-N 429.521 1.324 0 40 IDAB Cc1ccc(S(=O)(=O)N2CC3(C2)[C@H](COCc2ccccn2)CCS3(=O)=O)cc1 306140156 UMATYNKTOAXUEC-KRWDZBQOSA-N 436.555 1.785 0 40 IDAB CN(C)c1nc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(N2CCCCC2)n1 575605413 AFEOVSZMJFHJFB-UHFFFAOYSA-N 447.565 1.108 0 40 IDAB COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1 585262390 LRJLZDZEZLCGHO-LGKPFJOYSA-N 426.513 1.831 0 40 IDAB Cc1nc(C(=O)NC[C@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)cs1 1565556586 WJAJOSCDGWKGHL-OAHLLOKOSA-N 425.514 1.986 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1cccnc1 1850699 VLVQBCPQUOXMNL-SFHVURJKSA-N 449.320 1.200 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1 8753954 VRPZHVDUVXYZOH-UHFFFAOYSA-N 441.513 1.813 0 40 IDAB CNC(=O)[C@@H]1CN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c2ccccc2O1 9220426 XKGCRTVXQGLLHY-HNNXBMFYSA-N 436.390 1.172 0 40 IDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 9253379 PPGUXIKVUHGGEQ-RYUDHWBXSA-N 445.453 1.413 0 40 IDAB CN(C)S(=O)(=O)c1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)ccc1Cl 9613081 HBWKJARCMXILNN-UHFFFAOYSA-N 436.881 1.584 0 40 IDAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9632471 JUGFXRWPYYFZRK-HNNXBMFYSA-N 436.461 1.416 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(O)cc3)CC2)c(C)c1 9633804 USXTYTCFVHVMRS-UHFFFAOYSA-N 432.498 1.699 0 40 IDAB O=C([C@H]1CN(C(=O)CCn2c(=O)oc3ccccc32)c2ccccc2O1)N1CCOCC1 9862852 WUWGDAQVJBPFHI-HXUWFJFHSA-N 437.452 1.638 0 40 IDAB COc1ccccc1C(=O)NC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccc(C)cc1 9986172 NMMBRKWMKNGFCE-VAWYXSNFSA-N 446.481 1.394 0 40 IDAB CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc21 10221037 DXPUGENXHNBIIS-UHFFFAOYSA-N 431.470 1.382 0 40 IDAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)C3CCN(S(C)(=O)=O)CC3)nn2c1O 12154097 CTXDMWKWXHPDFT-KRWDZBQOSA-N 435.550 1.641 0 40 IDAB CCCOc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc(C)n1 12224859 KSGMPGWDMJYMJJ-UHFFFAOYSA-N 434.518 1.856 0 40 IDAB COC(=O)NCCc1cc(OC)c(OC)cc1S(=O)(=O)N1CC(=O)Nc2ccccc21 12418211 FJGQCKTZUJGEJT-UHFFFAOYSA-N 449.485 1.750 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 12973001 HGBQMYPTDYXINH-LAUBAEHRSA-N 433.530 1.108 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1 13121096 LQNDLJJXMXWJPG-UHFFFAOYSA-N 434.493 1.870 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)CN2c3ccccc3C[C@H]2C)c(=O)[nH]c1=O 13660960 OFZCJBNIEPNVSY-OAHLLOKOSA-N 429.521 1.350 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(C(N)=O)cc1)n2C 15498039 COTZFKCDOZQDBR-UHFFFAOYSA-N 429.502 1.494 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)CC1 15905631 ITXKVGIWOFZDGB-KCOOYEKVSA-N 440.496 1.783 0 40 IDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3nn(C)cc3-c3cccnc3)CC2)cn1 19214900 KDHDBQALOIHOJX-UHFFFAOYSA-N 426.502 1.332 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(C(=O)CN3CCCC3=O)C2)n1 19694767 JDLGGLWBJOCGLF-KRWDZBQOSA-N 436.516 1.247 0 40 IDAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)Cc1c(C)noc1C)C2 19708822 CADCTXUXVOMTFT-MRXNPFEDSA-N 426.521 1.976 0 40 IDAB Cc1ccc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c(C)c1 22379188 LIZLMBVESLXNAD-UHFFFAOYSA-N 439.559 1.958 0 40 IDAB CC(C)(C)c1cc(NC(=O)Cn2ncc3ccccc3c2=O)n([C@H]2CCS(=O)(=O)C2)n1 23053962 TZZBSZFBMPNUBK-HNNXBMFYSA-N 443.529 1.889 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(Cc2ccccc2)CC1 25515155 PAUYXTMETGDPEO-UHFFFAOYSA-N 443.569 1.974 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 35374677 OJBPQRSSQGMMPR-RMIXQUSFSA-N 437.471 1.744 0 40 IDAB O=C1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)c2c(nc(N3CCOCC3)[nH]c2=O)N1 38828141 KEELZJHMJKTDQN-SNVBAGLBSA-N 437.378 1.690 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H](c5ccco5)c5sc(=O)[nH]c5S[C@H]43)[C@H]2C1=O 40205456 VEAZGPPZOQXRGA-MIAHDAGJSA-N 432.479 1.587 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cc(OC)ccc2OC)CC1 57704001 MBLGLDLGAOVCHD-OAHLLOKOSA-N 428.555 1.235 0 40 IDAB Cc1c(NC(=O)NCCCn2nc3n(c2=O)CCCC3)c(=O)n(-c2ccccc2)n1C 58357800 QLSKZXXNYKICAQ-UHFFFAOYSA-N 425.493 1.391 0 40 IDAB COc1ccccc1CNC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326330 DHFHVDXZESJFGG-NPMXOYFQSA-N 437.500 1.659 0 40 IDAB CC(=O)N1CC[C@@]2(C(=O)N3CCCC3)CCN(S(=O)(=O)c3ccc(F)cc3)CC[C@@H]12 96145266 DKUQRVQZKHBUIO-CTNGQTDRSA-N 437.537 1.840 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)s1 223171682 RTCIFVVJUWCKAH-UHFFFAOYSA-N 430.533 1.371 0 40 IDAB C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225256106 ZOKCFVGJTJVWJF-GDBMZVCRSA-N 448.497 1.569 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)s1 225855684 MIUFPDWZMDFOIV-UHFFFAOYSA-N 445.548 1.055 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 240122573 WDGKIQDMXQKXJL-UHFFFAOYSA-N 442.563 1.213 0 40 IDAB CNc1nc([C@@H]2CCN(CC(=O)Nc3ccc(OC)cc3)C2)nc2c1CN(C(C)=O)CC2 257304279 SKWCNLWFMBEOOF-MRXNPFEDSA-N 438.532 1.860 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2C[C@@H]3CN(c4nccs4)C[C@H]3C2)cc1 1888909525 OPQWRMJHBDFONG-KBPBESRZSA-N 432.527 1.553 0 40 IDAB O=C(O)CC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 2130453 OECOESKZBWEZIY-NZQNYPKQSA-N 425.485 1.995 0 40 IDAB biogenic Cn1c(N)c(C(=O)CSc2nnc(COc3ccccc3Cl)o2)c(=O)n(C)c1=O 3364890 JSUGAQZYMQBZLC-UHFFFAOYSA-N 437.865 1.257 0 40 IDAB O=C(NS(=O)(=O)c1ccc(F)cc1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1 3770990 AHWBPJNZSAEFND-UHFFFAOYSA-N 436.362 1.998 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1)C(=O)O 4073864 LEOVEARNUMKFIH-WNYOCNMUSA-N 428.533 1.892 0 40 IDAB biogenic CC[C@H](C)N(C(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 6053602 SBDYEUCTCHYIES-AFDQWNBZSA-N 425.503 1.771 0 40 IDAB CCOC(=O)[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OCC)cc1 6577957 ARSGWEAMUHEDJW-LBPRGKRZSA-N 445.501 1.677 0 40 IDAB aggregator C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O 9223133 QQTFSHZXAVRUII-HOYKHHGWSA-N 435.480 1.899 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3cc(Br)ccc3C(=O)O2)cc1 9453435 NGFBLOSUEGTWKI-AWEZNQCLSA-N 425.260 1.817 0 40 IDAB O=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9796001 SVBMHWLTILHIJQ-UHFFFAOYSA-N 430.530 1.633 0 40 IDAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 10251349 FCLWBCSDNSRKCF-AWEZNQCLSA-N 432.415 1.845 0 40 IDAB COc1ccc(-c2nnc3n(CCc4ccccc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10969672 KZXWEMSQUIRQQQ-UHFFFAOYSA-N 430.468 2.000 0 40 IDAB CCOC(=O)CN1C(=O)[C@@]2(N[C@@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccccc21 12413344 RXSJDMJKDUSMSN-CSDRQFRESA-N 447.491 1.585 0 40 IDAB COC(=O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)C 12874375 SILVQPMNDZIWFN-SFHVURJKSA-N 440.518 1.172 0 40 IDAB COc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(CSc2nnnn2C)cc1=O 15883878 YRVZBVRUKHASBH-UHFFFAOYSA-N 443.489 1.270 0 40 IDAB C[C@H]1CN(C(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C[C@@H](C)O1 16047449 JDOBSXMMOWCRCX-CALCHBBNSA-N 447.557 1.673 0 40 IDAB COCCn1nnnc1[C@H](c1ccc(OC)c(OC)c1)N1CCN(C2CCCC2)CC1 19593923 MOTQATUMJDRVFQ-NRFANRHFSA-N 430.553 1.986 0 40 IDAB O=C(CCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1nccs1 20735197 DDNCOOWETDSQDZ-UHFFFAOYSA-N 440.522 1.924 0 40 IDAB CCN1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(C(C)C)cc2)CC1 20803093 IQNCUEXCNHVERX-FQEVSTJZSA-N 429.565 1.103 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 23135037 LRMSQZVEMSVRNH-UHFFFAOYSA-N 444.517 1.186 0 40 IDAB COc1cccc([C@@]2(C)NC(=O)N(NC(=O)COc3ccc4ccc(=O)oc4c3)C2=O)c1 23845126 MBKDVUQFXVVLPL-JOCHJYFZSA-N 437.408 1.679 0 40 IDAB COc1ccc(CN2CCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 24082539 ZMQCHCBHRCIYHJ-UHFFFAOYSA-N 428.533 1.984 0 40 IDAB COc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c1 27190341 VCCZILVDYJYFGD-HSZRJFAPSA-N 438.484 1.868 0 40 IDAB COC(=O)c1cc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2N)cc(C(=O)OC)c1 32946406 NFCJRNQTYQOYAL-ZDUSSCGKSA-N 435.462 1.147 0 40 IDAB O=C(NCCN1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 33405285 LAYDJXQVPNDNSX-UHFFFAOYSA-N 425.457 1.828 0 40 IDAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCC(N)=O 35395351 ZQFKSHUYKWKOQK-YBEGLDIGSA-N 433.486 1.608 0 40 IDAB Cc1ccc(S(=O)(=O)NCCN(C)CCNS(=O)(=O)c2ccc(C)cc2)cc1 35933701 PDLAHKKDUYLSKW-UHFFFAOYSA-N 425.576 1.492 0 40 IDAB CCOC(=O)C[C@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)c1cccc(OC)c1 58133068 JNNLYEJBIYVSGG-KRWDZBQOSA-N 443.522 1.298 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCC[C@@H]3CNC(=O)OC(C)(C)C)ccc21 60321494 GBWJJDACBQQVGU-CQSZACIVSA-N 438.550 1.945 0 40 IDAB O=C([C@H]1CCCN(Cc2nc(-c3ccncc3)no2)C1)N1CCN(c2ncccn2)CC1 62022929 KTBKEBLYFLAFQF-SFHVURJKSA-N 434.504 1.482 0 40 IDAB Cn1c(=O)c2ccc([C@H]3CCCCN3C(=O)COc3ccc(F)cc3)nc2n(C)c1=O 72374616 RPDUSZITKIXWSB-GOSISDBHSA-N 426.448 1.904 0 40 IDAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1ccc3ncccc3c1)C2 96050460 UWXXWUZPBRBARP-HSZRJFAPSA-N 432.484 1.448 0 40 IDAB Cn1cc(CN2C[C@@H]3CN(Cc4cccnc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 96056196 DSORFYOXDHVLCS-UPVQGACJSA-N 438.576 1.388 0 40 IDAB Cc1ccc(C(=O)[C@H]2C(=O)C(=O)O[C@@H]2[C@H]2OC(=O)C(=O)[C@H]2C(=O)c2ccc(C)cc2)cc1 104247107 AQMIFMWHYUMHMK-KFVVBQDRSA-N 434.400 1.590 0 40 IDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 223671942 KKXYQCXKDUFTLD-CQSZACIVSA-N 438.527 1.800 0 40 IDAB CNC(=O)c1ccc(-c2cccc([C@@H]3CN(CC(=O)NCc4ccccn4)CCO3)n2)cn1 257247141 IXRMBOHQSQGCFV-QFIPXVFZSA-N 446.511 1.588 0 40 IDAB CN1C[C@@H](C(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3cccc(F)c3F)cc2)CC1=O 257341682 ZLKPOKQGWKFBGM-QFBILLFUSA-N 427.451 1.980 0 40 IDAB CC(C)n1cc(CN2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cn1 306124584 BTXURTWJGHZYFM-NRFANRHFSA-N 426.546 1.840 0 40 IDAB CCOC(=O)COc1ccc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)cc1Cl 409214045 XFZKVKXKNHFPOY-JYRVWZFOSA-N 426.878 1.855 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O 575422157 MOTQHNFBMIJGIB-IAGOWNOFSA-N 425.528 1.352 0 40 IDAB CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C 883742 AUCPODMIZXXSCL-UHFFFAOYSA-N 426.520 1.158 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCC(C)C)c(C)c1 3017112 RLKQHMPZVDORCD-GOSISDBHSA-N 439.578 1.627 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1 3341343 CLNOJFISYNEHGU-UHFFFAOYSA-N 441.509 1.514 0 40 IDAB O=C(NC[C@H]1O[C@@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@@H]1O)c1ccc(F)c(Cl)c1 8624348 CKOJENAZLJORDJ-IZZBFERCSA-N 448.878 1.678 0 40 IDAB biogenic,in-vitro Cn1c(CCC(=O)NC2=NCCS2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 9350373 UOKTVFSAVNXMAH-UHFFFAOYSA-N 435.575 1.900 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccc(F)cc1 9477237 FABFWRPBJOPIJF-DLBZAZTESA-N 426.452 1.144 0 40 IDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9713035 JYKNDEYJFFWKBR-UHFFFAOYSA-N 442.497 1.515 0 40 IDAB O=C(Cc1cn2ccsc2n1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9876387 MKGGGXRTTYSTFS-UHFFFAOYSA-N 430.555 1.960 0 40 IDAB CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)NC2c3ccccc3-c3ccccc32)C1=O 11349638 SJLWROBRSOWSGR-KRWDZBQOSA-N 427.482 1.228 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccs2)NC(=O)N[C@@H]1c1cccs1 12722022 CIJIRYDMDZBHEH-MRXNPFEDSA-N 449.510 1.954 0 40 IDAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12984084 FYOUJMWWDWDTSH-CHWSQXEVSA-N 449.460 1.396 0 40 IDAB Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)o2)n(C)n1 13614985 BLRIIPMZSZCCMK-LBPRGKRZSA-N 436.519 1.879 0 40 IDAB CCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n[nH]c1=O 14092838 TWHPOSWVQJMFHU-LBPRGKRZSA-N 427.552 1.787 0 40 IDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14750306 ZNYMEIPISPPPKO-HZPDHXFCSA-N 441.509 1.804 0 40 IDAB Cc1ccc(C(=O)Cn2c(NCCCN3CCOCC3)nc3c2c(O)nc(=O)n3C)cc1 16839432 KWZMKABLGNQIDM-UHFFFAOYSA-N 440.504 1.161 0 40 IDAB CC(C)S(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)[nH]c2=O)C1 19451094 WJNURIZCJYJLMI-IRXDYDNUSA-N 438.550 1.099 0 40 IDAB C[C@H]1CN(C)CC[C@@H]1CCc1ccc(NC(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)cc1 19497739 RZXLHGJYWVWKLL-RDJZCZTQSA-N 438.532 1.582 0 40 IDAB CCN1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527489 ACLUCOCTJTZQHQ-NRFANRHFSA-N 448.523 1.755 0 40 IDAB Cc1cnc(C(=O)N2CCO[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)cn1 19759386 DSHWSJHDHYICEX-NRFANRHFSA-N 435.484 1.611 0 40 IDAB COc1ccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1S(=O)(=O)N1CCCCC1 21821946 VIPVBFKZUJOIAE-HOTGVXAUSA-N 425.551 1.918 0 40 IDAB COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O 22362771 JUCISCWXVZBPMG-AWEZNQCLSA-N 440.543 1.742 0 40 IDAB COc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)c(OC)c1 22524451 WKRYMMPXIFXMRO-UHFFFAOYSA-N 444.513 1.972 0 40 IDAB Cc1c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(=O)n(-c2ccccc2)n1C 22534854 QOIQFVBIPHROEP-GOSISDBHSA-N 442.497 1.650 0 40 IDAB COc1ccc(CNC(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1OC 23135149 CFHKQENNWPFQJA-UHFFFAOYSA-N 437.504 1.707 0 40 IDAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 23383387 HNGUSMAEQNCWIG-CXUHLZMHSA-N 432.546 1.817 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 25066451 HKIKFVZGDWWQQV-UHFFFAOYSA-N 449.558 1.789 0 40 IDAB Cc1ccc(OCC(=O)O[C@@H](CN2CCOCC2)CN2C(=O)c3ccccc3C2=O)cc1 28293204 UVDMPAYAIKZEGX-IBGZPJMESA-N 438.480 1.914 0 40 IDAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1Cl)C(=O)NCCN1CCOCC1 32927492 WVWUOKQMPZTTTC-YJBOKZPZSA-N 431.986 1.790 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3[C@@H](C)COC[C@H]3C)C2)cc1 34897536 NJSGWSPPWVWJHU-OWCLPIDISA-N 439.534 1.901 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccccc1C(=O)NC1CC1 36387052 ZCSGSULPEHUDFI-UHFFFAOYSA-N 448.570 1.585 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 38836432 OWEXMJDKSZTUIF-HNNXBMFYSA-N 431.898 1.168 0 40 IDAB O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)o1 40110386 SUNCMVAVMMKZHK-UHFFFAOYSA-N 449.316 1.844 0 40 IDAB Cc1nc(-c2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)nc2)no1 42380597 BLBNBDRRIZVNMW-UHFFFAOYSA-N 443.485 1.722 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 44883980 RDFOSGWWLFYFBW-HNNXBMFYSA-N 446.595 1.174 0 40 IDAB COc1cc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)cc(OC)c1 45970374 IYFQBIMUCBYNCX-UHFFFAOYSA-N 431.474 1.346 0 40 IDAB COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1 56997878 PRYMSSIOQGUNKX-UHFFFAOYSA-N 426.473 1.301 0 40 IDAB O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccc2c(c1)OCO2 56997926 USNGXOJHQLYKSR-UHFFFAOYSA-N 444.919 1.623 0 40 IDAB Cc1ccc(Cl)cc1NC(=O)Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O 67245859 UOGOPWFKKAAOFW-UHFFFAOYSA-N 425.894 1.470 0 40 IDAB COC(=O)c1sccc1NC(=O)C[C@H](CN1CCN(c2ccccn2)CC1)C(=O)O 71282638 CEAUVEBGJXBDDC-CQSZACIVSA-N 432.502 1.781 0 40 IDAB NC(=O)C1CCN(C(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2cc(Cl)ccc2O3)CC1 72327664 LGRALGPUAGYAMQ-QFIPXVFZSA-N 447.919 1.780 0 40 IDAB COc1ccc(Br)c(C(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)c1 90591012 OTLDYQWEQXAXOE-UHFFFAOYSA-N 432.278 1.845 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(F)cc4F)[C@@H]3C2=O)cc1OC 101169924 HOVNRZDOSVQSFF-ROUUACIJSA-N 445.382 1.914 0 40 IDAB Cc1ccccc1Nc1nc(N)nc(COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)n1 102129295 RMTTWKSDGGLKPL-GASCZTMLSA-N 436.472 1.890 0 40 IDAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 225558483 XFCCDROHQFXDQZ-MRXNPFEDSA-N 434.514 1.913 0 40 IDAB Cc1nonc1CNC(=O)[C@H]1CN(C(=O)c2cccc(N3CCCCC3)c2C)CCN1C 257317995 VMBNCWHCXFEHJX-OAQYLSRUSA-N 440.548 1.749 0 40 IDAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2ccc4c(c2)COC4)C3)n1 306138431 RXJVUKFMYBVNAB-GOSISDBHSA-N 429.498 1.524 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 408705566 ISNMWYYWTICMKS-UHFFFAOYSA-N 434.470 1.659 0 40 IDAB COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)N1CCC(C)CC1 408705651 KNEZUNPBLWMLGK-UHFFFAOYSA-N 425.551 1.178 0 40 IDAB COc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl 408713061 IQGABSDEJQMVCV-UHFFFAOYSA-N 425.894 1.854 0 40 IDAB O=C(O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21 409135410 VFFQJJXYGFVDON-SXGWCWSVSA-N 429.454 1.621 0 40 IDAB Cc1ccc(S(=O)(=O)N2Cc3ccnn3[C@@H](CC(=O)NCC3CCOCC3)C2)cc1 585095167 HOBODMZVHSJUDA-IBGZPJMESA-N 432.546 1.870 0 40 IDAB O=C(Cc1nnc(O)c2ccccc12)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 602514155 OTJFYGRDLXBOQB-MRXNPFEDSA-N 449.515 1.290 0 40 IDAB Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2c1=O 3609738 KAQIXNBPMHXZRD-UHFFFAOYSA-N 446.916 1.734 0 40 IDAB CCOC(=O)C(CCCCn1cnc2ncnc(Cl)c21)(NC(C)=O)C(=O)OCC 5551369 QSGBDGARFWEUCX-UHFFFAOYSA-N 425.873 1.651 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c2)CC1 8704907 VZIBQGWNCTZGOZ-FQEVSTJZSA-N 446.573 1.783 0 40 IDAB CSc1ccccc1NC(=O)CN(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 9244883 PWCKORRMGYEOLA-UHFFFAOYSA-N 430.530 1.856 0 40 IDAB CC(=O)N/C(=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)NCCCO 9462402 JZCFMTVEDKVAML-XSFVSMFZSA-N 432.498 1.738 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)CNC(=O)C1CCCCC1)n2CC 9646779 SUAFTCXMENAFIC-UHFFFAOYSA-N 433.509 1.446 0 40 IDAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCS(=O)(=O)CC1)CC1(CCOCC1)O2 12086923 KNPWCPZPCNASAV-MRXNPFEDSA-N 436.530 1.024 0 40 IDAB COc1ccc(CC(=O)N[C@@H](C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 12420665 VZOUIASPPBZZIX-HXUWFJFHSA-N 432.498 1.013 0 40 IDAB Cc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 12528377 ZFLQRUMSCZKEQE-UHFFFAOYSA-N 442.541 1.078 0 40 IDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 12635351 RQFWXLDXIARPJX-UHFFFAOYSA-N 444.575 1.871 0 40 IDAB O=C(CSc1nnnn1C[C@H]1CCCO1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 13128762 UQSQAVPPWJKSND-HZPDHXFCSA-N 437.547 1.165 0 40 IDAB COc1ccc(OC)c(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)c1 13371236 ADDXRYAUSCBADC-RDJZCZTQSA-N 445.584 1.537 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 13676551 JXGYRCXCTHXZPB-UHFFFAOYSA-N 431.514 1.581 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCn2nc(-c3ccco3)ccc2=O)cc1 13797645 SFFANZGKWYHHMI-UHFFFAOYSA-N 430.486 1.574 0 40 IDAB O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCc2nc(-c3ccccn3)[nH]c(=O)c2CC1 19403132 YJYZDLJAJSRQLX-INIZCTEOSA-N 435.528 1.940 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1OC 20005221 KZALSKQZWDPAPS-MJGOQNOKSA-N 448.541 1.889 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3nc4ccccc4[nH]c3=O)CC2)CC1 22581005 BHSBSHNJRLVTSC-UHFFFAOYSA-N 435.484 1.717 0 40 IDAB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 22795778 WUUJBSUZZFNYQT-NRFANRHFSA-N 428.508 1.555 0 40 IDAB COC(=O)c1sc(S(=O)(=O)N2CCN(C(=O)C(C)(C)C)CC2)c(C(=O)OC)c1C 32808860 NYHVNNCRVKQSCH-UHFFFAOYSA-N 446.547 1.509 0 40 IDAB Cc1csc(CC(=O)N2CCN(CC(=O)N[C@H](C)c3ccc4c(c3)OCO4)CC2)n1 36385400 IFTCWUIBWTWSSB-OAHLLOKOSA-N 430.530 1.744 0 40 IDAB O=C(C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc2c(c1)OCCO2 36593016 IFXGTZMCUSNQNR-CQSZACIVSA-N 425.397 1.840 0 40 IDAB COc1cccc(CNC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1OC 45970466 QCVHBYAIQOUAAA-UHFFFAOYSA-N 445.501 1.023 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)NCc2ccccc2)CC1 56938857 PVHAYIIJVBMAKU-HXUWFJFHSA-N 445.589 1.298 0 40 IDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCc2ccc(OC)c(OC)c2)c1 57279543 PBQJWQHIJMESNS-UHFFFAOYSA-N 433.490 1.864 0 40 IDAB CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 72300959 CRKDBJSCTDINCF-BZUAXINKSA-N 426.535 1.802 0 40 IDAB CCOC(=O)N1CCC(Nc2ncc3c(=O)n(-c4ccccc4F)c(=O)[nH]c3n2)CC1 101328904 GDTFVEBZKVYATF-UHFFFAOYSA-N 428.424 1.641 0 40 IDAB O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1 224492815 FDXAVDIFDVQAJY-UHFFFAOYSA-N 432.545 1.126 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)CC1 225569968 VOWQWWZAJYNKKM-UHFFFAOYSA-N 439.519 1.562 0 40 IDAB CC(=O)N1c2ccc(S(=O)(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)cc2C[C@H]1C 245237546 MTHJBYFAVDVMMB-CHWSQXEVSA-N 449.554 1.771 0 40 IDAB COc1cc(CN2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OCCN(C)C 257227102 FNQMZSSHBFVZLW-FAYOUJPWSA-N 449.592 1.645 0 40 IDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C(=O)OCC)CC2)cc1 408560393 ZCDPVXILVYSJSX-UHFFFAOYSA-N 427.523 1.445 0 40 IDAB C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1 408614882 JGKNJKMXWUZNDR-SJLPKXTDSA-N 425.485 1.232 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)Cc2cccc(C)c2)cc1 408617290 AMXUIMHZZDHKAN-UHFFFAOYSA-N 445.585 1.943 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)N(C)C3CN(c4ccc5nnc(C)n5n4)C3)CC2=O)c1 1565523827 XVKMUSSQMMUJTM-HNNXBMFYSA-N 435.488 1.141 0 40 IDAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC2)cc(C)c1Cl 2037912219 HRYUPMMWBOUZQT-JOCHJYFZSA-N 449.935 1.790 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N(C)Cc1ccccc1 2659300 SGNMJMMSEMWAIF-UHFFFAOYSA-N 446.525 1.831 0 40 IDAB C[C@H](OC(=O)CCc1nc(=O)c2ccccc2n1C)C(=O)NCc1ccc2c(c1)OCO2 3303420 CEKPIULGSSGDBI-AWEZNQCLSA-N 437.452 1.843 0 40 IDAB COc1cccc(-n2c(C)cn3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)c1 8708399 QOXGOUXJQJSVFH-UHFFFAOYSA-N 436.516 1.942 0 40 IDAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 9549030 QICKTKYPIMHBIM-BTYIYWSLSA-N 445.497 1.378 0 40 IDAB CC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CC1 9764159 ODQTXOYZZFLIOU-OAQYLSRUSA-N 443.525 1.216 0 40 IDAB CCCn1c(N)c(N(CCOC)C(=O)c2ccc(OC(F)(F)F)cc2)c(=O)[nH]c1=O 9955292 KWHXDFMSLGMTCR-UHFFFAOYSA-N 430.383 1.721 0 40 IDAB CCn1cc([C@H]2C[C@@H](C(=O)NCc3ccc(Cl)cc3)N(C)S(=O)(=O)N2)c(C)n1 12130638 MDFQXZLODDQNBA-SJORKVTESA-N 425.942 1.761 0 40 IDAB CCOc1ccc([C@H](CNC(=O)CCNC(=O)c2ccco2)N2CCOCC2)cc1OC 12780137 ZFQFUJOLBXYSNY-SFHVURJKSA-N 445.516 1.997 0 40 IDAB C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(S(=O)(=O)c2cccs2)CC1 15406939 KHTDJVBQTBMERX-CQSZACIVSA-N 434.543 1.428 0 40 IDAB O=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ncc3c(n2)CCOC3)CC1 19335043 ZDKGOMOCBRFKHP-UHFFFAOYSA-N 434.493 1.201 0 40 IDAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 19702353 KGKUUBCXMOPLBV-GFCCVEGCSA-N 441.513 1.025 0 40 IDAB CCN(CC)S(=O)(=O)N1CCCC[C@H]1c1nc(CN(C)C(C)=O)cc(N(C)C)n1 19709909 CKSUOWSLQOFJRZ-KRWDZBQOSA-N 426.587 1.635 0 40 IDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 22704482 VIBQUUYLGSNWJY-QGZVFWFLSA-N 438.594 1.528 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)NCCc2cn3ccccc3n2)cc1OC 23319596 WMPIKUISYDTCOK-UHFFFAOYSA-N 432.502 1.379 0 40 IDAB C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O 23840437 QKWXXQSPUCSYHI-JOCHJYFZSA-N 442.541 1.824 0 40 IDAB CCOc1cc2c(cc1NC(=O)CCCn1cnc3c1c(=O)n(C)c(=O)n3C)O[C@@H](C)C2 32756290 FOHMJODXGJSQLN-ZDUSSCGKSA-N 441.488 1.575 0 40 IDAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2ccccc2n1C 40013499 CWPGAORBAMVPAC-LJQANCHMSA-N 425.514 1.953 0 40 IDAB CCc1c(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)cnn1-c1ccc(OC)nn1 40119725 QBJKVIQARREEHH-UHFFFAOYSA-N 440.460 1.036 0 40 IDAB Cc1ccc(CNC(=O)[C@H](C)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 40135405 ODHGHJFOWLSDBO-KRWDZBQOSA-N 426.542 1.766 0 40 IDAB O=C(NCc1cccnc1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945244 UTMMVHQVIFIJGY-OAQYLSRUSA-N 433.512 1.971 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3F)CC1)n2Cc1ccccc1 56952590 HHFWRAIWZUQYHT-UHFFFAOYSA-N 448.502 1.933 0 40 IDAB CN(Cc1ccc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)o1)S(C)(=O)=O 57742375 YPWSLQNKKUICTR-UHFFFAOYSA-N 448.592 1.306 0 40 IDAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 58341670 ALKMDGRRMJYEGW-UHFFFAOYSA-N 437.475 1.844 0 40 IDAB C[C@@H]1CN(c2ccccc2NC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 65535256 APBUAPMFJPLGFK-BZUAXINKSA-N 438.550 1.115 0 40 IDAB CC(=O)Nc1ccc(C(=O)N2Cc3cn(C)nc3[C@H](C(=O)NCc3ccccn3)C2)cc1 72345612 RXLJHCRNXNEBKC-HXUWFJFHSA-N 432.484 1.830 0 40 IDAB CS(=O)(=O)NCC(=O)N1CCC[C@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 72378054 WWACPWPVYDGJMX-ZDUSSCGKSA-N 444.439 1.847 0 40 IDAB O=C1CCC(=O)N1CCN1CCN([C@H]2CCN(c3ccccc3OC(F)F)C2=O)CC1 78969422 NOPBTTJJCSEPKA-INIZCTEOSA-N 436.459 1.160 0 40 IDAB CC(C)n1c(C(=O)N2CCC(N3CCCCC3)CC2)nc2c1CCN(S(C)(=O)=O)C2 96147141 KLGVRTYDRHIWCT-UHFFFAOYSA-N 437.610 1.872 0 40 IDAB Cc1cccc(S(=O)(=O)N2CCC3(CC2)O[C@H](C(=O)NC(C)C)Cn2ccnc23)c1 96243656 IRUOOYNMTKLZHC-SFHVURJKSA-N 432.546 1.795 0 40 IDAB CC1=NN(C)[C@H]2C(N3CCN(CC(=O)c4cccc(Br)c4)CC3)=NC=N[C@@H]12 222252026 AWFOCXPRMSCNGN-ZWKOTPCHSA-N 431.338 1.748 0 40 IDAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224116261 KQLDJCGCKUOCCP-SFHVURJKSA-N 443.525 1.775 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225427816 XFMQZVWCVLTFHT-ZDUSSCGKSA-N 433.461 1.134 0 40 IDAB Cc1nc2ccccc2n1CCC(=O)N1CC[C@@](C)(O)[C@H](n2cnc3c(N)ncnc32)C1 257291047 QFJBCOQJEHINSF-VGOFRKELSA-N 434.504 1.681 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC[C@@H]2O)CC1 257325064 WRGRIARPZCFPJQ-SFTDATJTSA-N 429.496 1.345 0 40 IDAB CC(=O)N1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)Cc1ccc(F)cn1)C2 585101564 NADLRSZBMMFJJG-QFIPXVFZSA-N 428.439 1.769 0 40 IDAB COc1cccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 1362946 AEHUTEDDMWKJJJ-UHFFFAOYSA-N 426.516 1.195 0 40 IDAB CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccc(O)c(OC)c1 2504038 UPGQFRBVQZRMBV-YGRLFVJLSA-N 448.497 1.970 0 40 IDAB CC(C)C[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NCC(=O)OC(C)(C)C 8619186 FWNCCVPQFWPBAJ-MRXNPFEDSA-N 431.489 1.271 0 40 IDAB O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1cccnc1 9376174 KFRHZYZOQJAMJR-UHFFFAOYSA-N 430.486 1.481 0 40 IDAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 9508049 LKKVKMDJFJIKGL-UHFFFAOYSA-N 425.488 1.766 0 40 IDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 9764362 CTIULSATIKDVLJ-QGZVFWFLSA-N 430.486 1.039 0 40 IDAB Cn1c(=O)c2c(ncn2CCSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n(C)c1=O 12535768 IPNMVFPXDUBYGY-UHFFFAOYSA-N 444.542 1.403 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)NC(=O)N[C@@H]1CC 12791609 UCQNWHALPPNRRQ-ZIAGYGMSSA-N 445.472 1.500 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1C(N)=O 13011435 YJYNEIPNGVYORQ-UHFFFAOYSA-N 428.873 1.063 0 40 IDAB Cc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n2ncnc2n1 13085899 OKBNAPUQVUXDID-UHFFFAOYSA-N 437.323 1.706 0 40 IDAB COc1cc(OC)cc([C@@H]2C[C@@H](OC(=O)Cn3ncc4ccccc4c3=O)C(=O)N2C)c1 13566048 BADQUUIKMHJQJZ-VQTJNVASSA-N 437.452 1.929 0 40 IDAB COc1ccccc1NC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 13682105 MFZJVYXXHJPMBJ-INIZCTEOSA-N 431.514 1.851 0 40 IDAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC4(CC2)NC(=O)c2ccccc2N4)[C@@H]3C1=O 19447712 AWZHXMWLVAQTSR-FZONSQQESA-N 436.512 1.351 0 40 IDAB OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@H](N2CCN(c3ccccc3)CC2)[C@@H]1O 20464908 QPGLYZWIFVQKIW-WZYRSQIMSA-N 431.964 1.741 0 40 IDAB biogenic,in-vitro C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)CS2 23078695 NKJMDGHRLHAUDV-QAPCUYQASA-N 445.513 1.252 0 40 IDAB CCNC(=O)[C@H](C)Nc1nc(CN2CCOCC2)nc2sc(C(=O)OCC)c(C)c12 23873226 KKFJRVNSVFUUGH-ZDUSSCGKSA-N 435.550 1.945 0 40 IDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 24840835 MVFGDLKNCRKXLH-NVXWUHKLSA-N 440.518 1.019 0 40 IDAB O=C(O)/C=C\C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)O)cc2)cc1 31623645 NDVQFCYOAORVKK-DSOJMZEYSA-N 444.421 1.678 0 40 IDAB COCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945565 GBHGYESPTACPNY-LJQANCHMSA-N 432.496 1.551 0 40 IDAB COc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 57640334 PWNPNADXHWJVSA-SFHVURJKSA-N 428.493 1.087 0 40 IDAB Cc1c(NCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)cccc1N1CCOC1=O 72303885 NMQSKXMJWNTYAQ-UHFFFAOYSA-N 428.474 1.943 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 72334482 YWIIGFOOFJEYHX-ZYLNGJIFSA-N 434.540 1.784 0 40 IDAB CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CCN(C(=O)CN2CCCC2=O)CC1 72335852 GBNYOUCWPYJEKS-UHFFFAOYSA-N 443.529 1.271 0 40 IDAB COc1ccc(-c2nnn(-c3nnc(SCC(N)=O)n3-c3ccccc3)n2)cc1OC 96246549 BIAJEJQVIKYDBS-UHFFFAOYSA-N 438.473 1.505 0 40 IDAB COc1ncc(C2(O)C[C@H]3CC[C@H](C2)N3C(=O)c2ccc3c(c2)OCCO3)c(OC)n1 100724803 KBPZEBNSBNBLMM-HUUCEWRRSA-N 427.457 1.920 0 40 IDAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccccc3OC)c(=O)n12 100895660 MHXSAMJHOWGLLP-XAVCHOCCSA-N 436.489 1.868 0 40 IDAB COc1ccccc1NC(=O)CNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 102859481 BODVAWUTDKJLSN-DOEOUOAPSA-N 436.461 1.146 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3ncn[nH]3)C2)cc1C 260728416 AYYNCVNZHQBGHA-AWEZNQCLSA-N 439.563 1.431 0 40 IDAB CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)NCCc3cccnc3)cn12 306140310 UPLVORVQUGZSEA-IBGZPJMESA-N 443.515 1.380 0 40 IDAB COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 409236849 HLXNKOFHCCOYEY-GZTJUZNOSA-N 439.424 1.778 0 40 IDAB O=C(CCn1cnc2ccccc2c1=O)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 575614979 AROGGYDHEFFZTP-UHFFFAOYSA-N 446.467 1.461 0 40 IDAB CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1=O 643555605 CDSQFUNOVUFGBA-QHCPKHFHSA-N 426.517 1.895 0 40 IDAB CCn1ncc(Br)c1C(=O)Nc1cnn(CC)c1C(=O)N1CCOCC1 2806479 ORNNTEACJJQNGE-UHFFFAOYSA-N 425.287 1.607 0 40 IDAB CCOCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C 8704258 LPWHCFLLVIGFHI-CQSZACIVSA-N 428.468 1.878 0 40 IDAB COc1cccc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)c1OC 8996500 NHAZFLQPKPUXGL-CQSZACIVSA-N 427.505 1.209 0 40 IDAB Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@H]1CNC(=O)C(=O)NCCC(C)C 9577648 NTZKQCUJQLGKOL-KRWDZBQOSA-N 429.514 1.150 0 40 IDAB COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)sc2c1 12852607 SVUBCSIEHMCEIG-UHFFFAOYSA-N 446.510 1.678 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNC(=O)c3ccco3)C2)s1 12947485 JEXOJSROMRMOPD-CQSZACIVSA-N 425.532 1.596 0 40 IDAB O=C(Cn1c(=O)cnc2ccccc21)NCc1ccccc1S(=O)(=O)N1CCCCC1 13006151 FUAULPOUEHSYBB-UHFFFAOYSA-N 440.525 1.888 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)N1CCC[C@H](C)C1 13228016 DPUVZRPJHLTDTP-LBPRGKRZSA-N 426.452 1.387 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NC(C)(C)CO 13626726 LEWRMYOIEMOANN-YJYMSZOUSA-N 445.516 1.782 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2N2CCCC2=O)CC1 14237873 ZQAXHOXXKLTHFG-UHFFFAOYSA-N 432.502 1.565 0 40 IDAB O=C(COc1ccc(Br)cc1Br)N[C@@H]1CCS(=O)(=O)C1 16049511 ICQOBUWCNFQEDY-SECBINFHSA-N 427.114 1.894 0 40 IDAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3S(=O)(=O)N(C)C)[nH]c(=O)c2C1 19238698 QOWKTGPVIBPWSW-MRXNPFEDSA-N 437.591 1.641 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3cccc(F)c3)[nH]c(=O)c2C1 19592890 OVMKXYBUCCOFOB-LJQANCHMSA-N 442.491 1.736 0 40 IDAB COc1ccc(CNC(=O)C2=CC(c3cc(OC)ccc3OC)=NS(=O)(=O)N2C)cc1 20219959 GERPIUQNSHSHLT-UHFFFAOYSA-N 445.497 1.892 0 40 IDAB CC(C)OC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 22466055 URFGECLXXFTFAZ-IBGZPJMESA-N 425.529 1.839 0 40 IDAB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2cccc3ccccc23)CC1 22787360 QRCJAQPSJVAUKS-WIYYLYMNSA-N 429.586 1.991 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccccc2)cc1 22829491 IUHITEVAOGJDSD-UHFFFAOYSA-N 444.601 1.944 0 40 IDAB CCOC(=O)CCC(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1 23141849 SNHFCDRYCGSTND-UHFFFAOYSA-N 429.568 1.147 0 40 IDAB CCc1nn2c(=O)cc(COC(=O)CCN3C(=O)[C@H](C)Oc4ccccc43)nc2s1 32842863 JGODZXRDMSPFKW-LBPRGKRZSA-N 428.470 1.961 0 40 IDAB COc1ccccc1C(=O)N1CCN(c2nc(N3CCCC3)nc(-n3ccnc3)n2)CC1 35598021 ZZJRXRGREVNRLF-UHFFFAOYSA-N 434.504 1.629 0 40 IDAB O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 65515085 MCXPJUPCGSKDGC-MSOLQXFVSA-N 430.505 1.839 0 40 IDAB Cc1c([C@H]2C[C@@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)N(C)S(=O)(=O)N2)cnn1C 72335096 OEHPAPNLZMSTCU-QEECUZNISA-N 435.594 1.641 0 40 IDAB CCCC(=O)NC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cc(OC)ccc2OC)C1 84739888 SZBPPQFLYGFQMP-OAHLLOKOSA-N 441.550 1.137 0 40 IDAB Cc1cc(C)cc(N2C(=O)C[C@H](N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)C2=O)c1 101312765 JNKVSZDCYLZMSB-SIKLNZKXSA-N 449.507 1.920 0 40 IDAB Cn1c(CCC(=O)N2C[C@@H](O)[C@H](n3cnc4c(N)ncnc43)C2)nc2cc(Cl)ccc21 257286674 PMNGUDVEGQBABT-HUUCEWRRSA-N 440.895 1.326 0 40 IDAB CO[C@H]1O[C@@H](OC)[C@@H](O)[C@@]1(O)CC[C@]1(C)[C@H](C)CC[C@]23COC(=O)C2=C[C@H](O)C[C@@H]31 1549184317 RNTHUVMZQFSSFH-XKNUIKQNSA-N 426.506 1.120 0 40 IDAB CCOc1ccccc1S(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888932229 AOWUXCKKTFWFIH-GASCZTMLSA-N 428.518 1.519 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccccc5OC)C[C@@H]4C3)ncnc21 1888932242 LXSIQZDPRXKRIU-GJZGRUSLSA-N 428.518 1.612 0 40 IDAB CCCCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)[C@@]12C(=O)Nc1ccccc12 2218524 AJTRHOSDDGBAEE-JOCHJYFZSA-N 430.457 1.884 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccncc1 8993299 CGEYYPYHFSQQBJ-CQSZACIVSA-N 436.921 1.891 0 40 IDAB C[C@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C)N1C(=O)c2ccccc2C1=O 9284594 WDPBXTHMMATINZ-CYBMUJFWSA-N 435.436 1.978 0 40 IDAB O=C(CN1C(=O)COc2ccccc21)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9376001 GUSKWOIXJBXRSZ-UHFFFAOYSA-N 447.488 1.474 0 40 IDAB COC(=O)c1c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc2c1CC[C@@H](C)C2 12525300 CSZBCGPSRYVQKE-SNVBAGLBSA-N 445.501 1.045 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1C(N)=O 12929052 DZSGBVGUQPGCCR-UHFFFAOYSA-N 445.328 1.578 0 40 IDAB Cn1c(SCC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)nnc1C1CC1 12974427 XNNGSQCHOLZYIR-FQEVSTJZSA-N 428.518 1.759 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(OC(F)F)c2)c(=O)[nH]c1=O 13042479 SKMFVRVTJIPJDP-UHFFFAOYSA-N 426.420 1.814 0 40 IDAB COc1ccccc1N1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 13565495 PHCYDBIBATURBQ-UHFFFAOYSA-N 447.513 1.539 0 40 IDAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCOCC2)c1=O)CC[C@@H](C)C3 13609225 KDWMRUUDLLOQKR-CQSZACIVSA-N 435.546 1.245 0 40 IDAB COC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)sc2c1CCCC2 13678394 AASLJPDWZBDWHA-UHFFFAOYSA-N 429.564 1.870 0 40 IDAB Cc1ccc2c(COC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)cc(=O)oc2c1 14076574 USRMIIBHHZUEMB-CQSZACIVSA-N 432.454 1.310 0 40 IDAB Cc1nc([C@H]2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)C2)ncc1C(N)=O 19757830 HXGBLLDXGUIFBW-LBPRGKRZSA-N 436.438 1.994 0 40 IDAB COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCN(C)CC2)cc1 19819988 ZCWKUDSWFLMWOZ-HXUWFJFHSA-N 447.557 1.733 0 40 IDAB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 22796716 BZFRNZBXWJULEC-JOCHJYFZSA-N 437.544 1.997 0 40 IDAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc21 24534693 HOVBBMRQIHSXJG-ZDUSSCGKSA-N 427.457 1.575 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccccc4)CC3)ccc21 27914755 FRSRVWWMIYFKHS-DHZHZOJOSA-N 440.525 1.423 0 40 IDAB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCN(c2ccc3nncn3n2)CC1 30549816 BVNIARYUZHZEEP-CYBMUJFWSA-N 427.440 1.095 0 40 IDAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 32092126 KRNHKSUBURSBJI-HXUWFJFHSA-N 440.525 1.406 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccccc2NS(C)(=O)=O)c1 32833515 MENWCTPFTHUYGR-UHFFFAOYSA-N 442.471 1.432 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H](C(=O)Nc4ccccc4)C3)nc2)CC1 32853568 NDBNFKCAKLTVRI-SFHVURJKSA-N 443.573 1.873 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3ccccc3)CC2)c1 35503995 ILONUJSQESWQNT-UHFFFAOYSA-N 444.557 1.636 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nn(C)c3c2[C@@H](c2ccco2)CC(=O)N3)cc1 35597890 UNSJUADFTLBSGM-CQSZACIVSA-N 443.485 1.990 0 40 IDAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 48311098 JRJVVQPSPDEORS-KRWDZBQOSA-N 443.483 1.275 0 40 IDAB COc1cccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)c1 56998119 ACUQBVVMKBDJMN-ZWKOTPCHSA-N 430.482 1.438 0 40 IDAB NC(=O)c1c(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)sc2c1CCCC2 57868769 VQCHCSTUFXRVCM-UHFFFAOYSA-N 426.454 1.758 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1 70655987 KDRLQODTYFEBHO-CQSZACIVSA-N 427.490 1.165 0 40 IDAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCCn1nnn(-c2cccs2)c1=O 72341055 PDFKOHKWYYKVMJ-UHFFFAOYSA-N 427.412 1.011 0 40 IDAB C[C@H](C(=O)NC1CCCCC1)N1CC[C@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 72342469 IKZXNYWLPQRPRE-QVKFZJNVSA-N 434.562 1.937 0 40 IDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cccnc1I 95456788 PZNBVPHTFFDQTB-UHFFFAOYSA-N 445.282 1.867 0 40 IDAB CN1CCC(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 113946434 GKSBZMFTAVRCCZ-OAQYLSRUSA-N 429.542 1.994 0 40 IDAB COc1ccc(-c2noc(CNC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)n2)cc1 225166756 ZKVNZILLDKPDCX-GOSISDBHSA-N 430.486 1.994 0 40 IDAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)[C@H]2[C@H]3C=C[C@@]4(CN(C)C(=O)[C@H]24)O3)CC1 248022247 JYHIGGSWYYXICH-QNGCPFJASA-N 446.507 1.444 0 40 IDAB CC(C)[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23 514288075 NBKVRNRJWWLJKF-PBIIQAGSSA-N 430.464 1.769 0 40 IDAB biogenic,in-vitro CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1C 575426177 OAMZTBFBDXXWMA-KRWDZBQOSA-N 446.591 1.603 0 40 IDAB CC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 585284779 ZWSHRSWSAXYFHK-HXUWFJFHSA-N 430.904 1.295 0 40 IDAB CS(=O)(=O)NCC(=O)N1CCC[C@]2(CCCCCOc3ccccc3C(=O)NC2)C1 643559290 CCIQVUKAWLLFBU-NRFANRHFSA-N 437.562 1.527 0 40 IDAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)NCCCCCO)C2 643575137 GVVDHFQVDWYWIH-UHFFFAOYSA-N 435.565 1.845 0 40 IDAB CN1C(=O)CN(C2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCCC5)CC2)C1=O 675008305 PWZPPYKKTFVTTD-CQSZACIVSA-N 445.545 1.044 0 40 IDAB COc1ccc(F)c(CN2CCO[C@]3(CO[C@H](C(=O)NCCCn4ccnc4)C3)C2)c1 2056225943 FTLKTUIMOGODAX-UNMCSNQZSA-N 432.496 1.597 0 40 IDAB COc1ccc(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 3250248 AYBOIICZKQCBBU-UHFFFAOYSA-N 437.445 1.895 0 40 IDAB COC(=O)[C@H](NC(=O)[C@@H]1C[C@H](NC(=O)Nc2ccc(OC)cc2)CN1C(C)=O)C(C)C 3838916 XVRXNPDXPJHHGI-RYQLBKOJSA-N 434.493 1.120 0 40 IDAB biogenic,in-vitro CS(=O)(=O)CC[C@H](C(=O)Oc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 8754747 USWMWBNCYFJQRC-OAHLLOKOSA-N 431.422 1.420 0 40 IDAB COc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)cc1OC 8849682 DFLHATIKYHDBBA-UHFFFAOYSA-N 437.456 1.521 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccccc2N2CCOCC2)c1 9209246 BIJQQXCCUVBRAU-UHFFFAOYSA-N 448.545 1.354 0 40 IDAB CCCCn1c(N)c(N(CC)C(=O)CCNC(=O)c2ccc(Cl)cc2)c(=O)[nH]c1=O 9955401 GIXUHOCNNHETLK-UHFFFAOYSA-N 435.912 1.745 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(C)cc2)n(C)c1=O 12231720 AONDFXZTXOQJME-UHFFFAOYSA-N 436.472 1.229 0 40 IDAB COC(=O)[C@@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 12497895 IZMMNXRTNWXGMV-YWNPBTLJSA-N 440.427 1.979 0 40 IDAB COc1ccc(Cn2nnnc2Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 12558329 MEQUIKIOALDSKK-UHFFFAOYSA-N 448.530 1.297 0 40 IDAB O=C(CN[C@H](c1ccccc1)c1cccs1)N1CCN(CC(=O)N2CCOCC2)CC1 12795575 HSFUNGJAAKYCIO-HSZRJFAPSA-N 442.585 1.430 0 40 IDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 12949123 MZYLGJDNGVMRKN-UHFFFAOYSA-N 439.453 1.502 0 40 IDAB COCCCNC(=O)Cn1c2cc(OC)c(OC)cc2c2nc3n(c(=O)c21)CCS3 13568148 XINTTWUQLJECDJ-UHFFFAOYSA-N 432.502 1.627 0 40 IDAB CN(C(=O)COC(=O)/C=C/c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 16684497 WUALZYNCJQCSKE-MDZDMXLPSA-N 440.481 1.448 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CN3CCCCC3)C1)C2=O 19699580 MHKKCDIKTGTGDU-GOSISDBHSA-N 447.580 1.032 0 40 IDAB COc1cc2c(cc1OC)CN(CC(=O)N1CC[C@@H](c3ncc(C(N)=O)c(C)n3)C1)CC2 19758223 CQQPEVLEZAEQIJ-MRXNPFEDSA-N 439.516 1.275 0 40 IDAB COC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccco1 20478137 WEJFDOYYMOPKSQ-RBUKOAKNSA-N 440.456 1.142 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)CC1 22382960 IYUPEXPOQCFXRH-UHFFFAOYSA-N 440.957 1.574 0 40 IDAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(S(N)(=O)=O)ccc1OC)CC3 23134294 CVTUILSTFFRFRS-UHFFFAOYSA-N 443.481 1.809 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 23234425 YTEKLLIICZQKOC-HNNXBMFYSA-N 432.454 1.978 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 23486762 SIJUTTNDYVYBBP-UHFFFAOYSA-N 431.514 1.624 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 24970546 RXKAGEKIGJLQEU-UHFFFAOYSA-N 430.529 1.536 0 40 IDAB C[C@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 32777143 MRUHEFQKIBCJFX-LBPRGKRZSA-N 441.893 1.873 0 40 IDAB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3)c(Br)cc21 36646396 VLFUGVFQGXEJIF-UHFFFAOYSA-N 438.303 1.478 0 40 IDAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222890424 GRYNMWITEUEKMA-MRXNPFEDSA-N 435.521 1.798 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 225193483 XCTLMPZIKDROSK-INIZCTEOSA-N 433.530 1.625 0 40 IDAB CCc1nc([C@@H](C)NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)n[nH]1 536502331 LYMSDYAPIPZVOB-SECBINFHSA-N 441.457 1.247 0 40 IDAB O=C(CC(O)CC(=O)Nc1ccc(OC2COC2)cc1)Nc1ccc(OC2COC2)cc1 549804655 XXXTZZUVFYNOMC-UHFFFAOYSA-N 442.468 1.960 0 40 IDAB CN(C)c1nc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)nc(N2CCOCC2)n1 575605531 BRBYLTWIAHCAFH-UHFFFAOYSA-N 447.348 1.560 0 40 IDAB CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccc(F)c(F)c2)CC3)C1=O 1204224702 RFRVGPLFFKHIFP-HXUWFJFHSA-N 427.517 1.671 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 8789333 IXMYOIIKCORRQG-FAODYONGSA-N 435.436 1.485 0 40 IDAB biogenic CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 8825440 XXXXGPOTUZJQDI-HXUWFJFHSA-N 439.493 1.740 0 40 IDAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1ccccn1 9060970 QGKMFPNKXSUSQB-KRWDZBQOSA-N 430.530 1.305 0 40 IDAB C[C@H](Cc1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1)c1ccccc1 9095424 OXKVGGHNPKIQRK-GFCCVEGCSA-N 439.501 1.270 0 40 IDAB O=C(NCCc1ccc(F)cc1)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccccc1 9806034 OEVIOSFBBSWQDT-GOSISDBHSA-N 433.505 1.454 0 40 IDAB COC(=O)c1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)cc1 9827595 NMFVUUZZPHSSSX-UHFFFAOYSA-N 446.529 1.952 0 40 IDAB Cc1cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1CCOCCO 10233369 NKDYGQBNLRXTBF-UHFFFAOYSA-N 431.880 1.168 0 40 IDAB CCCCN(C(=O)CSc1nnnn1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 10886176 SVOIMOVROMNQGK-AWEZNQCLSA-N 439.563 1.579 0 40 IDAB O=C(COc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 11796217 YDJSQWMEAQKRTP-UHFFFAOYSA-N 435.521 1.863 0 40 IDAB C[C@H](C(=O)NCCc1cccs1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12746387 JUKDBWRKTNOOKE-OXQOHEQNSA-N 429.542 1.780 0 40 IDAB COc1ccc(-c2nc(COn3nnc4ccc(S(=O)(=O)N(C)C)cc43)co2)cc1 12774087 JRKFPEZZZJSZPG-UHFFFAOYSA-N 429.458 1.974 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3F)CC2)cc1C(N)=O 12815742 XTNYWOMLYAROIG-UHFFFAOYSA-N 442.900 1.956 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)c2cnc(C)cn2)sc(C(=O)N(C)C)c1C 12865367 LCQQMTKZVXJFEL-UHFFFAOYSA-N 434.474 1.829 0 40 IDAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1 12885697 GQXZFEIBLBUPRV-UHFFFAOYSA-N 432.498 1.733 0 40 IDAB Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)N(C)CCc1ccncc1 13691603 VGPTWVDBAIVLAP-HNNXBMFYSA-N 437.543 1.566 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 15560072 ILWNNFSZTNNAAP-UHFFFAOYSA-N 441.918 1.843 0 40 IDAB COc1ccc([C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1OC 19285434 PUQLIXOPHIEBRW-DLBZAZTESA-N 440.500 1.428 0 40 IDAB CC(C)OCC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 19693018 IBNAPZJQRVGGBT-GOSISDBHSA-N 427.505 1.633 0 40 IDAB CC(=O)NCc1ccc([C@H]2CN(C(=O)CN(C)Cc3ccc(F)cc3)C[C@@H]2C(N)=O)cc1 19698701 HGWOTKCVHFLYBN-YADHBBJMSA-N 440.519 1.621 0 40 IDAB CC(=O)Nc1ccc(C(=O)N2CC[C@@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)cc1 19757619 PQGBEPYKYRLVRP-GOSISDBHSA-N 437.500 1.846 0 40 IDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1 23248396 QQVFSLZDUAOLDS-QFIPXVFZSA-N 428.577 1.323 0 40 IDAB CCNc1nc(N2CCOCC2)nc(-n2cnc(SCCOc3ccccc3)n2)n1 25496268 KTVSBHXJFOAQGR-UHFFFAOYSA-N 428.522 1.892 0 40 IDAB Cc1cc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@@H]3CS2(=O)=O)ccc1N1CCCC1 32858254 MJEMYWQKLIODEE-YVWKXTFCSA-N 434.562 1.941 0 40 IDAB CNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4F)c(=O)c3s2)C1 33141084 OYQRLJGIZVWSGU-LBPRGKRZSA-N 444.492 1.593 0 40 IDAB Cc1nn(C(=O)S(=O)(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCOCC1 36631488 QYUUVNJOPVLXOL-UHFFFAOYSA-N 431.467 1.102 0 40 IDAB CC(C)CCn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 57010958 SJVPMINIIXKABH-UHFFFAOYSA-N 442.539 1.941 0 40 IDAB CCNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4cc(C)on4)c(=O)c3s2)C1 67226294 ICMPBKXHNOMKGA-LBPRGKRZSA-N 445.505 1.141 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3n[nH]c4ccccc34)CC2)cc1 89638913 GAIUVZBOVBFNBM-UHFFFAOYSA-N 442.497 1.561 0 40 IDAB O=C(O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NC[C@H]2Cc3ccccc3O2)CC1 95424298 GEFPHXVAMUMPHI-QGZVFWFLSA-N 444.509 1.905 0 40 IDAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124114 MFTAYJVQMTURSK-QGZVFWFLSA-N 434.504 1.749 0 40 IDAB CNC(=O)CN1CC2(CCN(Cc3cccnc3)CC2)COc2ccccc2S1(=O)=O 96145246 BARNURGDFSRILY-UHFFFAOYSA-N 444.557 1.493 0 40 IDAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(CCc2ccncc2)CC1 96223291 HIAIKYRZDCHHAF-NRFANRHFSA-N 435.528 1.322 0 40 IDAB COc1ccc(/C=c2/s/c(=C\C(=O)Nc3ccccc3OC)n(C)c2=O)c(OC)c1 96765608 NBAHZXUMGHHSQK-LADKKCNBSA-N 426.494 1.721 0 40 IDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)s1 224298963 RVFYZHZRRXLMDL-UHFFFAOYSA-N 432.487 1.622 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)CC1 224832916 IFGUTGOCJPBJFO-UHFFFAOYSA-N 439.519 1.562 0 40 IDAB COc1ccc(OC)c(N2C[C@H](C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)CC2=O)c1 257199163 VHYCPYAJZVMXGV-GVDBMIGSSA-N 437.496 1.864 0 40 IDAB CN1CCN([C@H]2CC[C@](CNC(=O)Cn3cccn3)(c3ccccc3)CC[C@@H]2O)CC1 257227848 FRFCUAWQTKCPCX-FIXSFTCYSA-N 425.577 1.488 0 40 IDAB Cc1ccc(C)c(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(=O)(=O)N(C)C)c1 260888258 ACGZTIOMWCFPDI-KRWDZBQOSA-N 433.530 1.872 0 40 IDAB Cc1cccc(CN2CC[C@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)n1 306138293 RUEVJGBWWLKISK-QHCPKHFHSA-N 425.533 1.864 0 40 IDAB COc1cccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c1OCC(=O)Nc1ccc(F)cc1 408595931 XUUKLFJZFCKEQQ-OQLLNIDSSA-N 443.387 1.829 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)CC1 408627045 XQNACFLEAPIWJG-GFCCVEGCSA-N 433.914 1.316 0 40 IDAB COCCn1cnc2ccc(NC(=O)C[C@H](c3ccsc3)n3cnnn3)cc2c1=O 524735386 ZFJUKIKWIGFCQK-QGZVFWFLSA-N 425.474 1.709 0 40 IDAB CCn1ccc2ccn(CCNS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)c(=O)c21 575618997 YSLOVRKWCVQCAC-UHFFFAOYSA-N 440.525 1.637 0 40 IDAB NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)Cn2nc3ccccc3n2)CCO1 585287433 WPVAKGDGBSYNRR-NRFANRHFSA-N 443.891 1.637 0 40 IDAB CC(=O)c1cc(C(=O)NC[C@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)n[nH]1 1565556568 VYWJQHDNAXMHPJ-OAHLLOKOSA-N 436.472 1.147 0 40 IDAB Cc1nc(N2C[C@@H]3CN(C(=O)[C@H]4CC(=O)N(c5ccccc5)C4)C[C@H]3C2)nc(O)c1F 1888890883 PNYYPCPFLXPGSG-JYJNAYRXSA-N 425.464 1.577 0 40 IDAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)c5ccc(OC)c(F)c5)C[C@H]4C3)nn12 1888941754 QTCWYIULPDPUTP-ZIAGYGMSSA-N 446.508 1.591 0 40 IDAB CC(=O)NC1=NN(C(C)=O)[C@@](C)(CS(=O)(=O)c2ccc(Br)cc2)S1 859557 BLZGCWQSLYVNMK-CQSZACIVSA-N 434.337 1.941 0 40 IDAB O=C(Cn1nnc(-c2cccs2)n1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9256852 ZHSVTBIQDWIKID-RIYZIHGNSA-N 444.542 1.547 0 40 IDAB CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 9344695 BNSFWPQRJBCJOI-QWHCGFSZSA-N 432.365 1.612 0 40 IDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 9360739 KLRWODOACYEKKV-ONGXEEELSA-N 442.169 1.065 0 40 IDAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)NC[C@H]1COc2ccccc2O1 9833912 JLHCTKSDBMBRRE-YJBOKZPZSA-N 434.452 1.587 0 40 IDAB Cc1c(C)n2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1CCCO 10103954 XCKRYEQDOINUKV-UHFFFAOYSA-N 433.871 1.989 0 40 IDAB COc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1 10188086 MUVZVCHKIHJNDQ-UHFFFAOYSA-N 433.530 1.586 0 40 IDAB Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12 11867573 UQZGQPSBIROLEM-GFCCVEGCSA-N 425.825 1.021 0 40 IDAB biogenic Cc1cc(NC(=O)[C@@H]2C[C@@H](c3cn(C)nc3C)NS(=O)(=O)N2C)n(-c2ccccc2)n1 12131355 SOXOYACCMGAQIL-ROUUACIJSA-N 443.533 1.441 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(CC(C)C)C2=O)cc1 12401443 KGFADPZYPXOIGE-HNNXBMFYSA-N 436.412 1.390 0 40 IDAB Cc1ccc(NC(=O)CCNC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 12447819 IXNXMPGKKJPONP-IPLXSBJHSA-N 434.489 1.836 0 40 IDAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnnn3C[C@@H]3CCCO3)ccc21 13163937 RFMUZVAHUHQUFO-HNNXBMFYSA-N 437.547 1.539 0 40 IDAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2OC)cc1 13371669 MKAJHTTYRAAIMM-HKUYNNGSSA-N 425.528 1.433 0 40 IDAB O=C(c1nn(-c2ccccc2)cc1O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 14110722 QBDQOYSLQABKSN-UHFFFAOYSA-N 430.461 1.864 0 40 IDAB COc1c2c(cc3c1[C@@H](c1c(O)n(-c4ccccc4F)c(=O)[nH]c1=O)N(C)CC3)OCO2 20412505 MARHQSIMVLSWQT-KRWDZBQOSA-N 441.415 1.685 0 40 IDAB biogenic COc1ccc(CNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1OC 32958678 ZIAKUVOGNJYRCC-UHFFFAOYSA-N 444.484 1.880 0 40 IDAB CC(C)C[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCOCC1 40072736 IMBADQSSJBXBFC-LJQANCHMSA-N 438.594 1.345 0 40 IDAB O=C(Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O)NC[C@@H]1CCCO1 57504214 DQFOZTIQINWAGH-HNNXBMFYSA-N 438.419 1.647 0 40 IDAB Cc1ccc(C)c(Cn2c(NCCNC(=O)C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 57681233 UYYWPHZKPBRQFG-UHFFFAOYSA-N 440.548 1.673 0 40 IDAB COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 72191668 BLIWLSHQUQWHSI-CYBMUJFWSA-N 448.530 1.474 0 40 IDAB CCn1c(C2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)nn(CCOC)c1=O 77147064 VHDUIOKSIHREKM-UHFFFAOYSA-N 425.493 1.312 0 40 IDAB O=c1occ(CN2CCCCCC2)c(O)c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 79477695 KTORYKINDMKVNF-GOSISDBHSA-N 439.578 1.026 0 40 IDAB O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 218785503 KWPAMJKWXFVCRN-UHFFFAOYSA-N 437.606 1.500 0 40 IDAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCSc2nc(C)n[nH]2)cc1 222660291 AFAMYEWLWMMRCU-LBPRGKRZSA-N 427.552 1.477 0 40 IDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575424980 DCOJDXWOHFALSB-SJORKVTESA-N 439.511 1.042 0 40 IDAB COc1c2c(c(Br)c3c1[C@H](CC(=O)N1CCN(C)CC1)N(C)CC3)OCO2 1547139018 YPSFUXUWPNBXAI-ZDUSSCGKSA-N 440.338 1.880 0 40 IDAB biogenic COc1ccc(N2Cc3nn(CC(=O)NCc4ccc(F)cc4F)c(=O)n3C2=O)cc1 1547201185 ODMBFKLKXCAQEA-UHFFFAOYSA-N 429.383 1.636 0 40 IDAB O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)N1CCN(c2ccccc2)CC1 1888947733 MNZXHCPADUROMS-FGZHOGPDSA-N 432.524 1.452 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCOCCOCC2)C(C)C)cc1 859414 HKUOYGONOPCVPJ-IBGZPJMESA-N 428.551 1.190 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 3380344 SVBZZUKFHKRKSU-UHFFFAOYSA-N 436.453 1.626 0 40 IDAB CSCC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)Cc1ccccc1)C(=O)O 5699488 DFSPWFNMFGQHRL-CABCVRRESA-N 434.605 1.550 0 40 IDAB COC(=O)Cc1cc(O)nc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 8720707 VGFNLSSGLDZEJB-ZDUSSCGKSA-N 432.502 1.854 0 40 IDAB Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)ccc1=O 9125617 UIKDBJRSCWDBLX-UHFFFAOYSA-N 444.557 1.975 0 40 IDAB O=C(COC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)Nc1ccc(F)cc1 9126616 QMJNSJHGQIJMPC-INIZCTEOSA-N 431.445 1.921 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)cc1 9782964 YYFVKHOVCLIEJQ-UHFFFAOYSA-N 426.498 1.768 0 40 IDAB CCOC(=O)c1csc(NC(=O)CSc2nnnn2-c2cccc(C(=O)OC)c2)n1 12711938 FYOWCAXMNAXBLX-UHFFFAOYSA-N 448.486 1.813 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C2=O 12932953 YMVOKXQNZBZBCF-DMAKZNTKSA-N 436.534 1.273 0 40 IDAB Cc1nc(NC2CCN(Cc3nnnn3Cc3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1C 13564756 LHYRFGPFRGNIQY-UHFFFAOYSA-N 438.492 1.227 0 40 IDAB O=C([C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)c2ccccc2O1)N1CCOCC1 14164227 QNSOLSKEVYAPFL-NRFANRHFSA-N 428.510 1.990 0 40 IDAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 15894344 MQPFAAHFXWNQNJ-PKOBYXMFSA-N 441.553 1.895 0 40 IDAB biogenic CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@@H]1c1ccc(C)cc1 20674610 VMVDVPLTEPOZJT-RTBURBONSA-N 438.484 1.752 0 40 IDAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(F)cc2)CC1 22796276 WKSGSOABYULWHO-IBGZPJMESA-N 442.491 1.640 0 40 IDAB NC(=O)c1c(NC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)sc2c1CCC2 22803669 BEPKJHSIDKCVNP-UHFFFAOYSA-N 447.605 1.294 0 40 IDAB O=C(/C=C\c1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134521 HRYCUOVIPQBZML-ALCCZGGFSA-N 436.447 1.888 0 40 IDAB CC[C@@H](C)NC(=O)Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O 65101363 NQPBZJYVOXQSSU-GFCCVEGCSA-N 432.550 1.263 0 40 IDAB COC(=O)c1ccccc1N1C(=O)[C@H]2SC(N)=C3C(=O)Oc4ccccc4[C@H]3[C@H]2C1=O 79474491 VDJYLKBQDGNOHS-UXLLHSPISA-N 436.445 1.951 0 40 IDAB C[S@](=O)C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1 95461436 BOXLPKGQFPUVEI-LDLUVENISA-N 449.554 1.302 0 40 IDAB CCOC(=O)c1sc2ncnc(N3CCC(N4CCS(=O)(=O)CC4)CC3)c2c1C 97163733 BMWGXCWQCXSRMS-UHFFFAOYSA-N 438.575 1.876 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1 97943957 DJXVCSVQYMNELI-GOSISDBHSA-N 445.476 1.309 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)CC1 101323080 ZDMUFDPMMGDQKX-IAGOWNOFSA-N 440.587 1.654 0 40 IDAB O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)NCCN1CCOCC1 219164362 HVGBQKOLHKLAOX-UHFFFAOYSA-N 435.933 1.964 0 40 IDAB CN(Cc1nc(-c2cccs2)no1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219673087 JFOUKNUZDXBVBL-UHFFFAOYSA-N 432.483 1.991 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)[C@@H]3[C@H]4CCCC[C@H]43)nc2C1 247521485 LSJXOPXAXGBVDD-IHETXDGRSA-N 434.562 1.990 0 40 IDAB CC(=O)O[C@@H]1[C@H](OC(=O)c2ccccc2)C=C[C@H](O)[C@@]1(O)COC(=O)c1ccccc1 257612708 WTFRADBWXYQLMA-AWWSKVOZSA-N 426.421 1.663 0 40 IDAB biogenic,in-vitro COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C)C(=O)NCc2cccnc2)cc1 260722761 SHGOUIZAYIWZCS-MRXNPFEDSA-N 448.545 1.015 0 40 IDAB Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)cc1 306125419 CQBQLBLDKXDXPU-HXUWFJFHSA-N 425.533 1.350 0 40 IDAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 408603520 KOEQSUSCROYAJY-KRWDZBQOSA-N 427.567 1.227 0 40 IDAB CC(C)NC(=O)N1C[C@@H]2CC[C@@H](CNC(=O)Cn3ccccc3=O)N2Cc2ccccc21 2055746310 NFYCDDZJOFZJOP-PMACEKPBSA-N 437.544 1.936 0 40 IDAB COc1cc(OC)c2c(C)c(CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2c1 2120117 CSWVPVSTVNJBQA-IBGZPJMESA-N 434.445 1.003 0 40 IDAB biogenic CSCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 4260288 UDPOWJQWBUDPAU-LSDHHAIUSA-N 433.555 1.958 0 40 IDAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(=O)NC[C@@H]3CCCO3)CC2)cc1 4325444 QXPDDJLKCHUTBD-AEFFLSMTSA-N 437.562 1.196 0 40 IDAB COc1cccc(Cn2c(NCc3ccc4c(c3)OCO4)nc3c2c(=O)n(C)c(=O)n3C)c1 8926283 OQENYUYZGSPUAL-UHFFFAOYSA-N 449.467 1.831 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)cc1 9121039 JJTGGNDSOJZKQO-OAHLLOKOSA-N 447.469 1.421 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NC2CCCCC2)c1 9577730 NLWKOBQHPQKNDS-LJQANCHMSA-N 437.562 1.606 0 40 IDAB C[C@]1(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCS(=O)(=O)C1 9579089 QIMQUQISAORWQM-CWIMXHLESA-N 426.560 1.393 0 40 IDAB CCCn1c(N)c(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(=O)n(C)c1=O 9579245 TUSXYNHSTHHDOU-MRXNPFEDSA-N 442.516 1.720 0 40 IDAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 12030696 ZXWVJVBJWBNTRE-SFHVURJKSA-N 436.511 1.858 0 40 IDAB O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12409218 GLXZEYKUHGSWQI-UHFFFAOYSA-N 430.558 1.448 0 40 IDAB O=C(Cn1nnc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12528751 WWUUGIRYJXMUJL-UHFFFAOYSA-N 427.486 1.605 0 40 IDAB C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1)C(=O)O 12884188 MLTOPVZAUXVNSA-UWJYYQICSA-N 435.524 1.851 0 40 IDAB biogenic Cn1c(SCC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)nnc1C1CC1 12974429 XNNGSQCHOLZYIR-HXUWFJFHSA-N 428.518 1.759 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1 12990965 BWFDFGAKYWIKFT-UHFFFAOYSA-N 428.470 1.569 0 40 IDAB O=C1CSc2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3O)cc2N1 13016175 CLGWSCKZGXDWRE-UHFFFAOYSA-N 449.510 1.710 0 40 IDAB COc1ccccc1NS(=O)(=O)c1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1OC 13689273 GGWRCHHPIXDIIA-LBPRGKRZSA-N 440.499 1.817 0 40 IDAB Cc1cc(=O)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1-c1ccccc1F 14237362 IIWQBPJXJMSHHF-UHFFFAOYSA-N 430.461 1.300 0 40 IDAB CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1 15935473 XVNYLIUUZWNCAH-UHFFFAOYSA-N 429.608 1.870 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)N3CCN(C)CC3)c12 16992987 YTBVKVFHGQHEHS-HNNXBMFYSA-N 443.529 1.747 0 40 IDAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19342798 KUCLDZMMXYEUBX-HOTGVXAUSA-N 428.514 1.872 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCN(C(=O)Cc4ccccc4)C3)[nH]c(=O)c2C1 19520432 HELCZHUKGWDLGT-INIZCTEOSA-N 430.530 1.036 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCc2nc(N)c(C(=O)N3CCCC3)cc2C1 19701106 DHNGMLXZRUQYPB-UHFFFAOYSA-N 434.493 1.795 0 40 IDAB COc1c2c(cc3c1[C@@H](c1c(O)n(-c4ccc(F)cc4)c(=O)[nH]c1=O)N(C)CC3)OCO2 19706881 XCONBRNXFAOYCN-KRWDZBQOSA-N 441.415 1.685 0 40 IDAB biogenic Cc1ccc2oc(=O)n(CC(=O)N(C)Cc3cc(N(C)C)nc([C@H]4CCCNC4)n3)c2c1 19709671 OIECWDOOBGVDBB-INIZCTEOSA-N 438.532 1.885 0 40 IDAB COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCOCC2)cc1 19819942 HICSCMYMEIJYKH-IBGZPJMESA-N 434.514 1.818 0 40 IDAB COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCCCN1CCOCC1 20609987 ZOTBCWGYVUOQSL-WIYYLYMNSA-N 449.573 1.891 0 40 IDAB biogenic C(=C/N1CCN(/C=C/c2nnnn2-c2ccccc2)CC1)\c1nnnn1-c1ccccc1 23469454 BNIJXCOMIQHHNQ-PHEQNACWSA-N 426.488 1.897 0 40 IDAB C[C@H]1NC(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)=NN(c2ccccc2)C1=O 33001814 LUSWYWUJKCYHKP-HUUCEWRRSA-N 428.514 1.948 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33435721 GGBYNLHNGPXDBB-KFWWJZLASA-N 435.933 1.814 0 40 IDAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)ccc21 40012310 XWKAIPUDTVLDHB-CYBMUJFWSA-N 443.481 1.208 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)o1 48303951 JZNOGAZIHSNENL-HXUWFJFHSA-N 449.485 1.658 0 40 IDAB COc1cccc(C(=O)N2CCN(C(=O)CNC(=O)c3ccc(F)c(F)c3)CC2)c1OC 60471040 MLXAHECLIJUIQL-UHFFFAOYSA-N 447.438 1.696 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 67287696 GSEINSCXFAINCR-FQEVSTJZSA-N 430.505 1.421 0 40 IDAB CC[C@@H](c1ccccc1)N(CC(=O)OC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 95445397 XXVWQTVMOXDBNM-KRWDZBQOSA-N 426.516 1.649 0 40 IDAB CNC(=O)[C@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)[C@H]13 100456216 BHFZYJRIBUYLBS-LGWBKDFWSA-N 429.542 1.594 0 40 IDAB C[C@H](C(=O)NCc1cccnc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222895341 WIDXRAWIRNRRMQ-OAHLLOKOSA-N 436.509 1.146 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1F 225002938 DYBADMQBHOQYSX-UHFFFAOYSA-N 436.509 1.914 0 40 IDAB COC(=O)COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1Br 226686360 XDPLMCIIBWSNPY-UHFFFAOYSA-N 432.296 1.566 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)co1 534426951 ANWCHNRMRARHCE-MRXNPFEDSA-N 427.910 1.644 0 40 IDAB O=C([C@H]1C[C@@H](NCc2cccc(F)c2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O)N1CCOCC1 2332241873 YIKHFKOKKHUCAW-UYWIDEMCSA-N 428.508 1.908 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 4077248 GEEQKJAEZUJADN-HUUCEWRRSA-N 437.591 1.693 0 40 IDAB CCN1C[C@H](CN(C)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)Oc2ccccc21 8711011 WJECXRQWPZDFJL-BNGSBABLSA-N 443.548 1.738 0 40 IDAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 9063826 FROJCSVYJNIEKT-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)C1 9304817 OACHBKUNSQYJQN-LJQANCHMSA-N 429.517 1.457 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC(=O)Nc4ccccc43)C2=O)cc1OC 9454829 DUOQHURXDZMZCJ-QFIPXVFZSA-N 438.440 1.456 0 40 IDAB O=C(NCc1ccncc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 10219828 OTZCBTKMEHNBBN-UHFFFAOYSA-N 429.433 1.090 0 40 IDAB COC(=O)C1=C(CS(=O)(=O)c2cc(OC)ccc2OC)NC(=O)N[C@@H]1c1ccccc1 10273338 DKCOVNXAAAHUNP-LJQANCHMSA-N 446.481 1.959 0 40 IDAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12980472 WIUGOCCTAIZCRR-CQSZACIVSA-N 448.545 1.411 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 14849737 VLUHDPOMFRMSLY-UHFFFAOYSA-N 439.515 1.849 0 40 IDAB CCN(CC)CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C)C[C@]2(C)NC(=O)c2ccccc21 19526386 ZIWOYMXXILCMPL-DOGKRZLPSA-N 426.561 1.978 0 40 IDAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)NCCCN3CCOCC3)cc2c1 19823817 MAEPGHADBZYQEU-UHFFFAOYSA-N 446.617 1.926 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 20031959 OFSXEOHUDGUYOX-INIZCTEOSA-N 437.543 1.051 0 40 IDAB COC(=O)C1=C(N)C(C(=O)OC)=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccccc1 20459034 SAVIAIFVEIRZQK-YFIXDKARSA-N 448.500 1.051 0 40 IDAB Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(Cl)cc1 22239970 HWPAKLLHVHHJEA-UHFFFAOYSA-N 444.923 1.424 0 40 IDAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c32)c1 22610503 HJWWMICIZQYCEM-AWEZNQCLSA-N 438.488 1.153 0 40 IDAB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCCN(CC(=O)NC(C)(C)C)CC1 22798968 FWCNBJGQFLVLRI-CQSZACIVSA-N 449.621 1.585 0 40 IDAB CNC(=O)CSc1nnc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)s1 23141689 DZYDXSSOSQTOBA-UHFFFAOYSA-N 445.526 1.445 0 40 IDAB COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)c1 32087484 XPYGYRMNQNLDSY-QGZVFWFLSA-N 433.486 1.222 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 100257894 KSQBJQBUSNNORM-VWEIPLKFSA-N 447.491 1.589 0 40 IDAB CC(=O)OC[C@H]1O[C@H](Oc2ccccc2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 104995588 XVGNADCCCZEHRJ-TXVWBRJLSA-N 438.429 1.457 0 40 IDAB biogenic COc1ccc(-c2noc(CNC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)n2)cc1 219672389 QRCGKTOKSAKLBC-UHFFFAOYSA-N 442.453 1.596 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 408606411 LXVKLZDOGGCDNS-JTQLQIEISA-N 447.922 1.302 0 40 IDAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1 409241664 LHQPPPDPURMHGZ-UHFFFAOYSA-N 431.558 1.751 0 40 IDAB CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@@H]1n1nc(-c2ccccc2)n(C2CCCC2)c1=S 504423800 HJKQNVULGADNMX-KLBVCGFUSA-N 448.545 1.312 0 40 IDAB biogenic COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1 575619093 GJKJNIKAPTYGCG-UHFFFAOYSA-N 432.484 1.482 0 40 IDAB COc1c2c(c(Br)c3c1[C@H](CC(=O)N1CCOCC1)N(C)CC3)OCO2 1547139764 ZYLAEKIJGWOHDY-LBPRGKRZSA-N 427.295 1.964 0 40 IDAB biogenic CCOc1ccccc1S(=O)(=O)N1C[C@H]2CN(c3ccc4nnc(CC)n4n3)C[C@@H]2C1 1888944385 YBOGPIITIGHEFG-HZPDHXFCSA-N 442.545 1.842 0 40 IDAB CCOC(=O)CN1C(=O)[C@@]2(C(C(=O)OC)=C(C)OC(N)=C2C(=O)OCC)c2ccccc21 1322832 RNNJVLPCVHVSMJ-JOCHJYFZSA-N 444.440 1.045 0 40 IDAB biogenic Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](CCC(=O)O)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 2128886 PCTAVKIIFJGKCY-SAQZZPNQSA-N 425.485 1.831 0 40 IDAB biogenic COc1ccc(-c2nnc(S[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)o2)cc1OC 2640307 LIFWQEBEEFUDOW-SECBINFHSA-N 447.473 1.097 0 40 IDAB CN1C(=O)N(C)C(=O)C2(Cc3cc(NC(=S)NC4CC4)ccc3N3CCC[C@@H]32)C1=O 9129094 RZFMYXHSKOSWAU-MRXNPFEDSA-N 427.530 1.697 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 9884742 KWFKPLQRTXEIDL-FQEVSTJZSA-N 432.498 1.758 0 40 IDAB O=C1NCCN(C(=S)Nc2ccccc2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 9926840 HTWSXNKKHSJEAZ-FQEVSTJZSA-N 437.569 1.923 0 40 IDAB Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)cc2)n1 12463173 MZAGZZSDFLBNAS-UHFFFAOYSA-N 425.470 1.532 0 40 IDAB Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 12875069 HIANQMRXMBJCIV-PGRDOPGGSA-N 436.472 1.486 0 40 IDAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 15204497 HLORHOWZWQKXIN-DOXDJGEQSA-N 434.529 1.433 0 40 IDAB CC(C)(C)NC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 15372780 OGJVBPFOVHPABZ-UHFFFAOYSA-N 445.501 1.302 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccc(Cl)cc1 18077702 BHXUCWXFUBANPW-JKSUJKDBSA-N 436.896 1.820 0 40 IDAB O=C(c1cccnc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)[nH]c2=O)C1 19337758 KWNIJNJXZWSJCI-MOPGFXCFSA-N 437.500 1.596 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1ccc3c(c1)OCC(=O)N3)CC2 19418513 OHUMUMRSMYMGQL-UHFFFAOYSA-N 426.425 1.776 0 40 IDAB O=C(NC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)c1ccccc1 22195758 DYSGHQPMBMGEGE-UHFFFAOYSA-N 430.530 1.501 0 40 IDAB O=C(Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2)NCc1ccccc1Cl 32641866 XFLHZWUFCKMLRP-UHFFFAOYSA-N 435.871 1.923 0 40 IDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)C1=O 33663830 FBVNCTUTXKVPHT-ONNFQVAWSA-N 447.625 1.632 0 40 IDAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 40154292 FCPGTYGLNWQLEO-QLFBSQMISA-N 443.591 1.681 0 40 IDAB Cc1ccc(-n2ncc3c(N4CCOCC4)nc(N[C@H]4CCS(=O)(=O)C4)nc32)cc1 71195149 XPHSCEBUIVFKIG-HNNXBMFYSA-N 428.518 1.560 0 40 IDAB COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc(OC)c1OC 85420755 DBJBXZBUIBMHFA-GJDLODDASA-N 441.440 1.934 0 40 IDAB O=S(=O)(c1cccs1)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 97550238 KXNCSWXKHZKCTF-UHFFFAOYSA-N 449.606 1.644 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(S(N)(=O)=O)ccc21 100877427 WAESZQLMJUJYCR-UZYVYHOESA-N 437.474 1.794 0 40 IDAB COC(=O)[C@@H]1C[C@H](O)[C@H](N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1 106922643 ANSXJSKGSIRSQD-MAZHCROVSA-N 447.351 1.068 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3ncn[nH]3)C2)cc1 222585787 XZVCAQVQTZEJSA-CQSZACIVSA-N 439.563 1.513 0 40 IDAB Cc1ccc(S(=O)(=O)N2CC3(C2)[C@@H](COc2nccc(C)n2)CCS3(=O)=O)cc1 306128113 GQGCEQDACYDHNI-MRXNPFEDSA-N 437.543 1.350 0 40 IDAB CN(Cc1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1)S(C)(=O)=O 408705851 OQPSVAPWYNIBAR-UHFFFAOYSA-N 431.558 1.801 0 40 IDAB O=C1N[C@@H](CC(=O)N2CCN(CCOc3ccc(F)cc3)CC2)C(=O)Nc2ccccc21 524733167 AZSHWKLTFMKPAX-FQEVSTJZSA-N 440.475 1.490 0 40 IDAB COc1ccc(C(=O)N2CCN3[C@H](C2)C(=O)N(Cc2ccccc2)C32CCOCC2)cn1 1772595390 RUZARWYNLJVFNY-HXUWFJFHSA-N 436.512 1.766 0 40 IDAB C[C@]1(c2cccc(Br)c2)NC(=O)N(Cn2nnc3ccccc3c2=O)C1=O 2634148 LXYQEFQGXDKTGN-GOSISDBHSA-N 428.246 1.979 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1=O 8591983 CUOLHMMQTJHVNW-UHFFFAOYSA-N 426.448 1.438 0 40 IDAB CCOC(=O)[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)NC(=S)N[C@]1(O)C(F)(F)F 8666454 OENWNEXPHLZYGC-BFQNTYOBSA-N 438.424 1.661 0 40 IDAB COc1ccc(OCCN(C)C(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 9533798 KHAMXVOPFCJIEJ-UHFFFAOYSA-N 449.529 1.812 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)Nc2ccc(C)cc2C)c1 9538754 GAWFTPUJXBYFBH-UHFFFAOYSA-N 434.518 1.844 0 40 IDAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9767615 JENPVNPJFWDLIJ-HZPDHXFCSA-N 436.559 1.759 0 40 IDAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCC(C(N)=O)CC3)cs2)cc1 9828676 WXRWDCFGZSFWTC-UHFFFAOYSA-N 438.531 1.219 0 40 IDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3[C@@H](C)COC[C@@H]3C)C2)cc1 11996559 NJSGWSPPWVWJHU-JYJNAYRXSA-N 439.534 1.901 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030235 CNGLGZASGFTKSB-MRXNPFEDSA-N 437.495 1.306 0 40 IDAB COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030698 BAYWUIRWFNGNFG-OAHLLOKOSA-N 437.495 1.686 0 40 IDAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 12539509 YMLXKCGGHBFEJA-UHFFFAOYSA-N 449.511 1.708 0 40 IDAB CC(=O)c1ccc(NC(=O)C[C@H]2N=C(N3CCN(Cc4ccccc4)CC3)NC2=O)cc1 13690223 KDJWIQBSPPZZFT-OAQYLSRUSA-N 433.512 1.890 0 40 IDAB C[C@H](NC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1)C(=O)N1CCCC1 13728372 WOCAQGARUVOEDT-KRWDZBQOSA-N 425.533 1.965 0 40 IDAB C[C@@H](NC(=O)C(C)(C)c1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1 19575396 MKXFGVPWMINITR-HUUCEWRRSA-N 440.537 1.460 0 40 IDAB COc1ccccc1OCC(=O)N1CC[C@H](c2ncc(C(=O)N3CCOCC3)c(C)n2)C1 19757628 JXXKNRINLNPYFL-KRWDZBQOSA-N 440.500 1.661 0 40 IDAB O=P([C@H](c1ccc2c(c1)OCO2)N1CCOCC1)(N1CCOCC1)N1CCOCC1 19848936 VDKGGFMIBOLUDM-HXUWFJFHSA-N 439.449 1.604 0 40 IDAB O=C(CNC(=O)c1ccccc1)NCC1CCC(C(=O)NCCCN2CCOCC2)CC1 20622622 UGQCWTLZVDPDNI-UHFFFAOYSA-N 444.576 1.178 0 40 IDAB COc1ccccc1N1C[C@H](C(=O)NCCNC(=O)[C@@H]2COc3ccccc3O2)CC1=O 20744716 KPPBOEUHMYQDKK-QRWLVFNGSA-N 439.468 1.121 0 40 IDAB O=C(Nc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1)c1cccs1 23819202 DZETXSXGQYUZNO-KRWDZBQOSA-N 433.555 1.945 0 40 IDAB CCOc1cc2c(cc1NC(=O)C1=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC1)O[C@@H](C)C2 26886449 HVHWGNUDSKTAPT-GXTWGEPZSA-N 435.502 1.513 0 40 IDAB CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(CC(=O)N(C)C)CC3)c2c1 36359625 XCHDDYCIDCCIRV-HXUWFJFHSA-N 429.521 1.594 0 40 IDAB Cc1ccccc1Cc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1O 36646236 JJJCSAYNTJZBFU-UHFFFAOYSA-N 445.526 1.855 0 40 IDAB O=C(NCCN1CCN(C(=O)NCc2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 44227490 DNJXIARWUFZDHT-UHFFFAOYSA-N 428.464 1.812 0 40 IDAB CN(CC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 96113485 RJQKOQLRSJLUSO-UHFFFAOYSA-N 439.877 1.241 0 40 IDAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2CC(=O)Nc1ccccc1N1CCOCC1 100128618 KHEDMVVOOILFBR-QZTJIDSGSA-N 425.533 1.710 0 40 IDAB CCCCN(C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O 102343689 CRQBEVVAPBSRIF-GASCZTMLSA-N 447.536 1.227 0 40 IDAB O=c1[nH]c2cc(S(=O)(=O)N3CCC[C@@H](Cc4nc(-c5cnccn5)no4)C3)ccc2o1 220889455 RAXCUBSSDMZYFG-LBPRGKRZSA-N 442.457 1.605 0 40 IDAB CN([C@H](C(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1)S(C)(=O)=O 260767795 PEJIORUPFFUQNC-NRFANRHFSA-N 431.558 1.768 0 40 IDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2ccc4c(ccn4C)c2)C3)n1 306126038 DKICNWJROOAJSV-SFHVURJKSA-N 440.525 1.985 0 40 IDAB CN1CCN(c2ncc3c(n2)COC32CCN(S(=O)(=O)c3ccccc3)CC2)CC1 306143575 YFVZGNQFNBWHIY-UHFFFAOYSA-N 429.546 1.439 0 40 IDAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O 408661893 WJHFGEXGGLSPRT-INIZCTEOSA-N 439.468 1.987 0 40 IDAB COc1cc([C@H](CC(=O)N[C@H]2C=CS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O 524731794 KQRGDAUIDRPQMW-KBPBESRZSA-N 435.454 1.317 0 40 IDAB biogenic Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(c4nccn5c(C)nnc45)C3)CC2=O)cc1C 575608402 SLDYDUVHKWUFBX-QZTJIDSGSA-N 433.516 1.798 0 40 IDAB COc1ccccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O 604381969 XCXSIFHATKOLSA-ZQDRWKGSSA-N 444.503 1.916 0 40 IDAB biogenic,in-vitro COc1ccccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(C)cc1 785605 LEGAWLTWXICJGY-UHFFFAOYSA-N 445.541 1.923 0 40 IDAB O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1Cc1ccccc1 3570835 QMDVVEWFPIQSAW-IBGZPJMESA-N 447.944 1.974 0 40 IDAB CN(C)c1cccc(Oc2nnnn2[C@H]2CO[C@@H]3[C@@H](NC(=O)c4ccco4)CO[C@H]23)c1 4147648 BHSOAWAITHPRKU-CWLKWCNXSA-N 426.433 1.262 0 40 IDAB biogenic,in-vitro CN(CC(=O)O)C(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 8918216 WILUEUUXPVZPOG-SFHVURJKSA-N 447.532 1.904 0 40 IDAB biogenic CC(C)c1ccc(-c2nnc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)s2)cc1 9467856 NFRAKLDFYXWGSA-UHFFFAOYSA-N 439.501 1.714 0 40 IDAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 9580153 QKGQBOGPXOVQDL-CMPLNLGQSA-N 425.488 1.591 0 40 IDAB Cc1ccc(NC(SCC(=O)N2CCOCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9974183 DIHPSIZHPDSQNG-UHFFFAOYSA-N 432.502 1.261 0 40 IDAB CN1C(=O)[C@]2(OCc3ccccc3N2C(=O)CN2CCC(C(N)=O)CC2)c2ccccc21 10157788 UUFXNVHCSGLHKH-XMMPIXPASA-N 434.496 1.577 0 40 IDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1 10753456 OJPKPVDWXUUHNY-UHFFFAOYSA-N 439.559 1.353 0 40 IDAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11906415 IVHOCFUUKKSBNE-UHFFFAOYSA-N 438.483 1.731 0 40 IDAB Cc1ccc(C(=O)NCC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)s1 12568634 OZNWOUZOUZTXBA-GOSISDBHSA-N 434.949 1.811 0 40 IDAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12599237 MQAONDYLTZKIMR-VFNWGFHPSA-N 439.468 1.727 0 40 IDAB C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12779227 UDJSUVSCCIAJTD-ZOWXZIJZSA-N 426.516 1.067 0 40 IDAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCC[C@@H]1C(=O)O 12881624 NNNPVAYTYDQJFO-GCYOBHRFSA-N 431.514 1.615 0 40 IDAB biogenic Cc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)n2)cc1 12987204 ZGEKUVJIORFBOK-FQEVSTJZSA-N 448.483 1.159 0 40 IDAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCCN1CCOCC1 16490341 WBRLNKUODPAUEM-UHFFFAOYSA-N 433.530 1.705 0 40 IDAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCOCC3)cc2c1 19563404 GEDLICMZCLQONS-QFBILLFUSA-N 426.477 1.124 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 19572296 UJDSDRSSKQAODB-KRWDZBQOSA-N 431.518 1.167 0 40 IDAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccc(OC)cc1 20530929 JTGOVKPKNVDZJA-LJQANCHMSA-N 431.489 1.705 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC(=O)NC1CCCCC1 35500507 VKAKGPOCOBSVOR-UHFFFAOYSA-N 442.969 1.805 0 40 IDAB COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(F)c3)c2=O)c(OC)c1 44837188 GRCBHBRTJZOGTL-UHFFFAOYSA-N 438.419 1.831 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN3C(=O)CN3CCCC3)nc2n(C)c1=O 72374581 UICQQDQGPSRLOR-AWEZNQCLSA-N 439.438 1.410 0 40 IDAB CCCCNC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 101490335 UMQIEIRKFXRYNA-IYBDPMFKSA-N 427.542 1.943 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 222425209 YHTWRGQVOQWRMN-SFHVURJKSA-N 446.573 1.771 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)s1 225351076 UBRFEWDTHHWCIJ-UHFFFAOYSA-N 428.448 1.261 0 40 IDAB Cn1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cn1 225599040 IASZSDQHIWYHBS-UHFFFAOYSA-N 438.575 1.384 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 225620276 JNJVLQJEDQMNFB-UHFFFAOYSA-N 442.475 1.507 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 253401609 NJUCRKQTLDVUHM-NTEUORMPSA-N 438.575 1.734 0 40 IDAB Cn1c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N[C@H]3Cc2ccccc2)cc(=O)n(C)c1=O 257258684 KVCDXXNPXPAOCH-GWNKNSFXSA-N 436.556 1.831 0 40 IDAB Cc1nccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)n1 257275294 NOSQLZDAFLMIFS-UGKGYDQZSA-N 437.544 1.859 0 40 IDAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408666057 SBVWIGYYARFSAP-HZVDNRATSA-N 440.452 1.542 0 40 IDAB CCc1nccn1CC(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643556514 MNIMQRCTRPKKIY-DEOSSOPVSA-N 440.544 1.965 0 40 IDAB O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CNCC2=O)NCCN1CCCC1 958317809 PFUPRWZHJGBXIY-UNMCSNQZSA-N 440.588 1.792 0 40 IDAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@H]1CC(=O)N(Cc2ccco2)C1 3442374 UGRDUZRSYVJYFX-ZUZCKIMGSA-N 440.481 1.876 0 40 IDAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 8395859 JYIPTUZFIYWGCV-WWEWDKITSA-N 429.381 1.071 0 40 IDAB Cc1cccc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cn12 9467507 OYVYGEIEYLMVKV-UHFFFAOYSA-N 442.497 1.561 0 40 IDAB CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NCCc3ccc(Cl)cc3)c2c1 9634083 DOQJIEZDRJFYBG-UHFFFAOYSA-N 437.909 1.123 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(OC)cc2)n2nnnc2N1 10232215 OXTFJFGWNSXXNG-QGZVFWFLSA-N 436.384 1.915 0 40 IDAB CCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3cc(Br)ccc3OC)nnc12 10969900 ISYOJNBBSSXWNH-UHFFFAOYSA-N 433.266 1.919 0 40 IDAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2)NCc1ccc2c(c1)OCO2 12085575 YIXNNDUIPKULAR-HSZRJFAPSA-N 436.468 1.596 0 40 IDAB CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OCc1ccccc1 12137555 BNSLAKNBNVDONC-UKQGIEBLSA-N 435.480 1.624 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)c(-c2ccncc2)n1 12232161 ZQQPHIISUKRNGH-UHFFFAOYSA-N 429.477 1.768 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O 12549368 ZCJMCQKTQUQRDZ-UHFFFAOYSA-N 435.289 1.448 0 40 IDAB O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CN1Cc1ccco1 12594314 KOKIWFAVPACESD-HNNXBMFYSA-N 435.477 1.300 0 40 IDAB CN(C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 13042026 BVOZNWHJUDCNEZ-UHFFFAOYSA-N 431.514 1.427 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC[C@H]1CCCO1 13556849 KOBULAIZZHXQEQ-NBQZKYEYSA-N 431.489 1.204 0 40 IDAB CCOc1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)cc(Br)c1OC 14122056 DVADYYGEQWWBIH-UHFFFAOYSA-N 428.327 1.702 0 40 IDAB Nc1c(C(=O)[C@H]2CCCN2C(=O)COCCN2CCCC2=O)cnn1-c1ccc(F)cc1 19337103 DANVUZLWDHOKDO-GOSISDBHSA-N 443.479 1.406 0 40 IDAB COC[C@@H](C)N1C[C@H](C(=O)N2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)CC1=O 19456556 XHWUFOROHQRMBU-HZPDHXFCSA-N 430.501 1.905 0 40 IDAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc2ccccn12 22276360 VYQJLAXQYWXDDM-MRXNPFEDSA-N 440.529 1.686 0 40 IDAB O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)NC[C@H]1CCCO1 22807581 OASPQPUCNUZCFS-HXUWFJFHSA-N 441.528 1.632 0 40 IDAB CCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nc2ccccc2c1=O 23701239 IVMDUKOVDHZKLH-UHFFFAOYSA-N 429.502 1.794 0 40 IDAB COc1ccc(CNC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)cc1 35425712 CKICDRBFLGRLGS-UHFFFAOYSA-N 448.483 1.206 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-c3nnco3)cc2)cc1 36396258 VSCVHRFKPPQCRA-UHFFFAOYSA-N 429.458 1.954 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1ccc2c(c1)OCO2 49410514 JSTIPRSRYWIBOT-UHFFFAOYSA-N 433.486 1.780 0 40 IDAB CCCN(C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)[C@H]1CCS(=O)(=O)C1 49643442 VNISTAFPFJQAFP-MAUKXSAKSA-N 446.529 1.057 0 40 IDAB Cc1sc2ncn(CCC(=O)NCCn3nnn(-c4cccs4)c3=O)c(=O)c2c1C 72341042 LYIQQPLXLIMVJP-UHFFFAOYSA-N 445.530 1.085 0 40 IDAB COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 77200059 PSYGWEHMRBGPDS-QGZVFWFLSA-N 425.482 1.128 0 40 IDAB COc1ccc(CNc2nc(NCc3ccc(OC)nc3)nc(N3CCOCC3)n2)cn1 83962627 DHPXQAPGBFIISI-UHFFFAOYSA-N 438.492 1.740 0 40 IDAB COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)NC[C@@H](C)N1CCC(C)CC1 95441949 NZUGZUPAGPFVQQ-GFCCVEGCSA-N 448.383 1.955 0 40 IDAB CCN1CCN([C@H](C)CNC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)CC1 95993676 DLADIQLVBAGXPU-MZNJEOGPSA-N 439.560 1.270 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)O[C@H](C(=O)NCC2CC2)Cn2ccnc23)cc1 96243602 NDSCRYWXNCAHIR-IBGZPJMESA-N 444.557 1.797 0 40 IDAB CS(=O)(=O)c1cc(S(=O)(=O)N2CCN([C@@H]3CCSC3)CC2)c(Cl)s1 97166137 VATPXQSBVMKWOP-SNVBAGLBSA-N 431.026 1.617 0 40 IDAB CCn1ncc(S(=O)(=O)N2[C@@H]3CC[C@@H]2c2cnc(N4CCC[C@H](O)C4)nc2C3)c1C 100121312 VXPXUEVBTRWAKR-RVKKMQEKSA-N 432.550 1.413 0 40 IDAB CCS(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C(C)C)CC4)C1 100234643 HRMSGLXFWJMBQJ-CQSZACIVSA-N 435.550 1.505 0 40 IDAB CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc(C)nc2)CC3)C1=O 2055795730 MGIJXGFECOMOCB-OAQYLSRUSA-N 434.562 1.126 0 40 IDAB COC(=O)CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 2135587 AHRYXPGDYBPRAK-UHFFFAOYSA-N 426.476 1.550 0 40 IDAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC 3204555 DCMJPISSFQKVRD-UHFFFAOYSA-N 434.514 1.697 0 40 IDAB Cc1cc2oc(=O)cc(COC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)c2cc1C 8748727 XZBLAUAGNAYZRO-HNNXBMFYSA-N 446.481 1.619 0 40 IDAB O=C(O)[C@@H]1CCCN1C(=O)C[C@@H](CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1 8764491 UASVFDLXUWCCMQ-BPUTZDHNSA-N 425.938 1.668 0 40 IDAB biogenic COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 8987063 JKRXVSLMUSAUSQ-ZHRRBRCNSA-N 425.441 1.418 0 40 IDAB CCOC(=O)C1=C(COC(=O)c2cnc(C)cn2)NC(=O)N[C@H]1c1ccc(OC)cc1 9644408 HSLQCXVJXLSYNC-SFHVURJKSA-N 426.429 1.822 0 40 IDAB CCOC(=O)C1=C(CN2C(=O)C(=O)N(CC(C)C)C2=O)NC(=O)N[C@@H]1c1ccccc1 9963541 IICYVBKFRZXNII-MRXNPFEDSA-N 428.445 1.305 0 40 IDAB CC(C)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 10385979 LSMOJTYRRXAOKN-AWEZNQCLSA-N 435.912 1.595 0 40 IDAB Cn1ccnc1[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 10656682 IXJRBELMLUHZBJ-IBGZPJMESA-N 441.488 1.894 0 40 IDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCc1ccc2c(c1)OCO2 10791665 ZPARLTJTRPRCDL-ZDUSSCGKSA-N 434.470 1.527 0 40 IDAB CCCN(C(=O)CSc1nnnn1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 10886154 JPSPXLDUASEFHQ-ZDUSSCGKSA-N 425.536 1.189 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 12510578 MAEBUDUORRTHNI-LJQANCHMSA-N 447.561 1.835 0 40 IDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12683702 PHGZNORMSNYQJH-UHFFFAOYSA-N 434.518 1.664 0 40 IDAB Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C(=O)O)cs3)CC2)c1 13270074 YCIUUVJNVMWMNS-UHFFFAOYSA-N 430.529 1.450 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)c1 13848521 WGKADYUPBZVSBV-UHFFFAOYSA-N 444.517 1.530 0 40 IDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 14129251 RLWFHUSIQTXCSI-OAHLLOKOSA-N 433.486 1.288 0 40 IDAB O=S(=O)(c1ccccc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 15884204 ZLOKRWFSMBTSGJ-UHFFFAOYSA-N 435.513 1.781 0 40 IDAB C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16012647 WOVDBFKGXHXRMP-HZTDAHSYSA-N 443.862 1.781 0 40 IDAB Nn1c(SCC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1Cl 17653535 FNURHPFKJICQHP-LBPRGKRZSA-N 441.966 1.583 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c(=O)c2C1 19592888 LEYXCXQQCICYPK-LJQANCHMSA-N 442.491 1.736 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccc(C)cc3)C1)C2=O 19699664 GJBPXUMAHOUWEK-LJQANCHMSA-N 440.544 1.852 0 40 IDAB CN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc2ccccc2c1 20030909 PAMIJHIJVKBBBQ-UHFFFAOYSA-N 447.538 1.424 0 40 IDAB O=C(Cc1ccc2c(c1)OCCO2)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22227426 FUFSINVUKJFSHM-UHFFFAOYSA-N 446.525 1.380 0 40 IDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134245 SOAQUNFWLFDQNB-UHFFFAOYSA-N 429.484 1.979 0 40 IDAB Cc1nc(-c2ccncc2C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)no1 32916151 NGMWECUSMPTBLY-UHFFFAOYSA-N 432.462 1.192 0 40 IDAB CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 33040289 IPMHZZSVFVTZJV-OAHLLOKOSA-N 426.539 1.830 0 40 IDAB Cn1nc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c2c1NC(=O)C[C@H]2c1cccs1 36705632 HVRHKKNJPYMIDU-LBPRGKRZSA-N 437.547 1.566 0 40 IDAB COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 44891792 IIUYXLIIIQHYRN-UHFFFAOYSA-N 449.982 1.683 0 40 IDAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC(c3nnsc3S(C)(=O)=O)CC1)CO2 72392512 PIHHQAWJOHXCFZ-CQSZACIVSA-N 437.543 1.908 0 40 IDAB CCOCCOCc1cccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 79073106 ZGCZGXRADBXLLW-UHFFFAOYSA-N 434.537 1.248 0 40 IDAB O=C(CN1CCN([C@@H](C(=O)N2CCOCC2)c2ccccc2)CC1)Nc1cccc(F)c1 84519421 VSGBUCMQTNXSTR-HSZRJFAPSA-N 440.519 1.982 0 40 IDAB C[C@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@@H]1CO 89929847 WJHCSFXGXZPMJZ-GXFFZTMASA-N 426.354 1.634 0 40 IDAB CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1 95436362 WJNBBVVJZNFXBU-SJORKVTESA-N 433.553 1.866 0 40 IDAB Cc1nc2ccccc2n(CCNC(=O)CNC(=O)c2ccc(Br)o2)c1=O 95943975 MUKBVVULJYLYEH-UHFFFAOYSA-N 433.262 1.607 0 40 IDAB C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 103506636 XKLVJEDXEYQMDS-IOYYBREXSA-N 432.480 1.434 0 40 IDAB C[C@@H](NC(=O)Cn1c(C(F)(F)F)c(CCO)cc(C(N)=O)c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 104878182 XUXHZPNLZNTYIA-UHXUPSOCSA-N 429.439 1.442 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 226002189 SLDPKUMZMXSCOZ-UHFFFAOYSA-N 425.532 1.471 0 40 IDAB CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(Oc3ncccn3)cc2)cc1 257282206 OSVZDOPPUXQRRX-UHFFFAOYSA-N 433.467 1.791 0 40 IDAB COCC(=O)N1CCN(C2CCN(C(C)=O)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 585283033 OTBMTLRYGADYHJ-XMMPIXPASA-N 447.576 1.215 0 40 IDAB COc1cc(CCC(=O)N2CCO[C@@](COc3ccc(Cl)cc3)(CC(N)=O)C2)on1 585283245 CPXXKKLSJNTFCC-FQEVSTJZSA-N 437.880 1.821 0 40 IDAB COc1ccc([C@H]2CC(=O)Nc3nc(N4CCN(C)CC4)nc(O)c32)c(OC)c1OC 670416124 OGKNMGDZVLYJOO-CYBMUJFWSA-N 429.477 1.434 0 40 IDAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 675008036 QHSJQLFBBFJLHN-CQSZACIVSA-N 426.424 1.841 0 40 IDAB O=C(NCc1cccc2c1OC(F)(F)O2)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1641302214 IZELRWYPZNIMDJ-GDBMZVCRSA-N 436.386 1.968 0 40 IDAB COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)c(OC)c1 886918 UIXZHYDJJHBIEK-UHFFFAOYSA-N 433.530 1.819 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccco5)n4)CO[C@H]23)cc1 5433933 ZSEXNVVTNMCGKW-RAUXBKROSA-N 442.497 1.970 0 40 IDAB biogenic,in-vitro CC(C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O 6190721 MMYOLAYKEMCIIR-USXIJHARSA-N 434.537 1.253 0 40 IDAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O 9223132 QQTFSHZXAVRUII-KOSHJBKYSA-N 435.480 1.899 0 40 IDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1cc2c(cc1OC)C[C@H](C)O2 9223365 CWIMTYJHHZATDP-AQVLZCAOSA-N 436.530 1.184 0 40 IDAB C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N[C@H]1CCS(=O)(=O)C1 10779719 BOOBIPRAYRPKDB-JSGCOSHPSA-N 426.589 1.977 0 40 IDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@H](C)C(=O)N3CCC(O)CC3)CC1)CC2=O 12086397 MVEUIDOLOZZJGQ-IQMFZBJNSA-N 430.501 1.784 0 40 IDAB Cc1ccn(CCC(=O)N2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)n1 12133263 YSFSDMNSCYJJDX-UHFFFAOYSA-N 446.577 1.782 0 40 IDAB O=C1NC(=O)C2(CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Br)cc4)C3)CC2)N1 12737281 JKGFAZAHTAVYSY-LLVKDONJSA-N 435.278 1.003 0 40 IDAB Cc1cccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 12907696 HQJPXWGHCHZLJU-UHFFFAOYSA-N 429.542 1.875 0 40 IDAB COc1ccccc1N1CCN(C(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)CC1 15858512 STFHLQVDTSELCV-UHFFFAOYSA-N 429.498 1.724 0 40 IDAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cc1C 16050913 ATBMEFSELMTUCM-HXUWFJFHSA-N 429.542 1.892 0 40 IDAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccncc2)c2ccco2)cc1 17043352 ARCPOLJVHYPRJY-IBGZPJMESA-N 427.482 1.931 0 40 IDAB Cc1nc([C@H]2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)ncc1C(=O)N1CCCC1 19757438 AYJJJDOPHCJOFU-KRWDZBQOSA-N 448.527 1.691 0 40 IDAB COCCCNC(=S)N(CCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O 19822729 ZRWBGDBYVQBDFO-UHFFFAOYSA-N 432.590 1.882 0 40 IDAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(CCNC(=O)c2ccc3c(c2)OCO3)CC1 20891147 GWXDZAYHXLBWDF-QGZVFWFLSA-N 425.485 1.757 0 40 IDAB O=C(NCCN1CCOCC1)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 22628407 OKGSGAGIYYOXKL-UHFFFAOYSA-N 440.544 1.675 0 40 IDAB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCN1CCOCC1)CO3 22933211 RWNJYGYCYXQACW-UHFFFAOYSA-N 436.892 1.954 0 40 IDAB O=C(Cn1cccc2c(=O)n(Cc3ccncc3)c(=O)nc1-2)NCc1ccccc1Cl 32641540 XUQIVAREORZQTH-UHFFFAOYSA-N 435.871 1.923 0 40 IDAB COCc1nn2c(C)c(C(=O)N3CCN(C)CC3)nnc2c1-c1ccc(OC)c(OC)c1 40372696 ITVSODIHUJCINK-UHFFFAOYSA-N 440.504 1.651 0 40 IDAB CN1C(=O)COc2ccc(C(=O)COc3coc(CN4CCSCC4)cc3=O)cc21 44900921 NFUMHFJJDHNWCU-UHFFFAOYSA-N 430.482 1.806 0 40 IDAB COc1ccc(N2Cc3nc(=O)n(CC(=O)NCc4cc(F)cc(F)c4)n3C2=O)cc1 49546098 HZSKXVUIOCCQQZ-UHFFFAOYSA-N 429.383 1.636 0 40 IDAB CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(NC(=O)C2=COCCO2)c1 58048809 MEKFZOAZIKVBOY-UHFFFAOYSA-N 427.479 1.316 0 40 IDAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCCn2nc3n(c2=O)CCCC3)c1 59259413 SCTBBXZQSPDWOI-UHFFFAOYSA-N 435.550 1.230 0 40 IDAB CC(C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2F)C[C@]12Cc1ccccc1C(=O)N2 72334463 FRSJGIRRWBQNIL-HTAPYJJXSA-N 445.516 1.696 0 40 IDAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)CCn2cccn2)CC1 72335920 DCJQABBYUHVFHM-UHFFFAOYSA-N 446.577 1.863 0 40 IDAB C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 72394890 VMHDFNLMAMKCQY-LPHOPBHVSA-N 439.512 1.814 0 40 IDAB Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1)CC2 84286943 ZPFPBGQXNMGQOF-YOEHRIQHSA-N 439.482 1.674 0 40 IDAB CCOC(=O)N1CCc2nn(CC(=O)NCc3cccc(OC)c3OC)c(=O)cc2C1 96105724 JMXVNYGNIPIKGX-UHFFFAOYSA-N 430.461 1.092 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)c2cccc(F)c2)sc2cc(S(N)(=O)=O)ccc21 100877429 IBMCMMKYHLAEGZ-UZYVYHOESA-N 437.474 1.794 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222793000 PZFMNINACUOQMM-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB COC(=O)CSc1nnc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)s1 223176358 MWJZKGOLOUAYSF-UHFFFAOYSA-N 430.533 1.760 0 40 IDAB COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3C(F)(F)F)[C@@H](O)[C@H]2O1 225515189 ILPWROZSELRZSX-ZLJHSHKTSA-N 432.439 1.234 0 40 IDAB biogenic,in-vitro COc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1S(=O)(=O)N1CCOCC1 225606685 DJACTGKVYWBVRP-UHFFFAOYSA-N 444.506 1.964 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccc(C)cc2)cc1 408628160 VCJOTQIHPFXRKN-UHFFFAOYSA-N 447.557 1.647 0 40 IDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O 575426455 TZASZWOGXUUCNB-HOTGVXAUSA-N 425.484 1.046 0 40 IDAB NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)Cn2nc3ccccc3n2)CCO1 585287434 WPVAKGDGBSYNRR-OAQYLSRUSA-N 443.891 1.637 0 40 IDAB Cc1noc(C)c1-c1ccc2c(c1)NC(=O)CN1CCN(S(=O)(=O)C3CC3)C[C@@H]1CO2 1772594599 OKWDCLNSBWYHPH-MRXNPFEDSA-N 446.529 1.768 0 40 IDAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)ncc12 1889149542 LCOOGEQNNVRGJU-GOSISDBHSA-N 427.505 1.279 0 40 IDAB FC(F)(F)c1nnc2ccc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nn12 1889187001 WPIXGTIGWDXKCD-UHFFFAOYSA-N 435.414 1.096 0 40 IDAB CCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2c1c(=O)n(C)c(=O)n2C 880901 CGOQHVLPVAKGBP-UHFFFAOYSA-N 444.517 1.533 0 40 IDAB CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N(C)C 5542177 GRETYSXPUXVOFK-GJZGRUSLSA-N 446.614 1.368 0 40 IDAB CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)Cc1ccc2c(c1)OCO2 8936995 HDUVTZFXJOXAKZ-QHCPKHFHSA-N 438.484 1.822 0 40 IDAB COCCNC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(Br)c1 9238842 BKQNPSOSMFNWNO-UONOGXRCSA-N 442.339 1.879 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)NCc1ccco1 9660637 LSHHCKUJTDRTDY-UHFFFAOYSA-N 434.408 1.245 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)cc1 9666721 AWYRWAUSVSHRCQ-UHFFFAOYSA-N 440.525 1.628 0 40 IDAB O=C1CN(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)C2(CCCCC2)C(=O)N1 12778752 UUMSGEMIUVAGOO-UHFFFAOYSA-N 444.469 1.745 0 40 IDAB COCCN(C(=O)CNc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12790536 CMADHORAYZICIU-UHFFFAOYSA-N 437.500 1.567 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 13012154 BVAJUTCVLALLKE-ZDUSSCGKSA-N 448.501 1.237 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc1 13038691 WBWGHTCMALEGNA-UHFFFAOYSA-N 448.570 1.970 0 40 IDAB CCCCN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 13061581 DCFQPKCJTJIHBN-QVKFZJNVSA-N 449.529 1.032 0 40 IDAB O=C([C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 16047044 HVGCHQBBFFJQDD-RHSMWYFYSA-N 439.434 1.908 0 40 IDAB C[C@H](NC(=O)COc1cccnc1)C(=O)N1Cc2ccccc2OC2(CCOCC2)C1 19079611 BFNGYIJLTZHHEP-KRWDZBQOSA-N 425.485 1.936 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)NCc3cccnc3)CC1)O2 19219051 QSVQCLPTVUSALU-BXKMTCNYSA-N 436.512 1.968 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3cccc(OC)c3)C1)C2=O 19699567 RTESRBHVIZCBCI-KRWDZBQOSA-N 442.516 1.623 0 40 IDAB CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)Cn2cccn2)CCO1 19703139 PKLQEJKVQCCDAT-OAHLLOKOSA-N 429.502 1.157 0 40 IDAB Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 20674092 ILTPMAWMXNGBNW-LBPRGKRZSA-N 447.293 1.722 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1cccc(C(=O)NC2CC2)c1 23846021 AJFIMZWPJGCHNP-QHCPKHFHSA-N 434.452 1.747 0 40 IDAB CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC 24173128 BAVOHPPVJLHHQQ-KRWDZBQOSA-N 433.482 1.538 0 40 IDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CCCN1C(=O)c2ccccc2C1=O 24605500 DPYRYRNJDMVTND-UHFFFAOYSA-N 429.498 1.428 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 24928730 SODLDTBFUZSGKN-LSDHHAIUSA-N 431.352 1.849 0 40 IDAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1ccc2oc(=O)ccc2c1 32106167 MJBXQNOFBUMUNY-QGZVFWFLSA-N 441.465 1.311 0 40 IDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)C(=O)N1CCNC1=O 32776148 YHPACABNPXGZGJ-KFWWJZLASA-N 437.518 1.450 0 40 IDAB O=C(CN1CCN(C(=O)CCNC(=O)C2CC2)CC1)Nc1ccc(OC(F)(F)F)cc1 40063390 QJNHVBFAHMESCF-UHFFFAOYSA-N 442.438 1.584 0 40 IDAB O=C(NCc1cccnc1OCc1ccccc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 48324917 KCFCDQHXGPOKMZ-RTBURBONSA-N 443.525 1.312 0 40 IDAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 65592285 SBOSGBSVSXUJHI-UHFFFAOYSA-N 449.508 1.702 0 40 IDAB CCc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)cc1 98213103 KODFTUTYVBUUJI-UHFFFAOYSA-N 437.475 1.719 0 40 IDAB Cn1ccc(C(=O)N2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)n1 306134876 OAKUVHXBEKFHCO-GBXCKJPGSA-N 431.496 1.853 0 40 IDAB Cn1nccc1C(=O)N1C[C@@H](c2ccnn2C)[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 306142030 WNJRPVPJKVBHGS-FDDCHVKYSA-N 433.516 1.597 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)CC1 408619005 HMOVCFTVLYHHQE-GFCCVEGCSA-N 432.926 1.817 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c(OC)c1 408658418 KVOJIMOASWLOCS-JDNLJYLZSA-N 430.457 1.605 0 40 IDAB O=C(c1cc(O)ccc1Cl)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 554943219 UJPHAFFJFOLEBB-UHFFFAOYSA-N 436.877 1.774 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccsc2)c(=O)n1CC(=O)N[C@H]1CCCC[C@@H]1C 585145809 QAUOUUZICSCMTC-IBYFWLFESA-N 434.583 1.839 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)N3CCCN(c4ccc5nncn5n4)CC3)CC2=O)c1 1775968142 KGKRUAJDQQPOIF-INIZCTEOSA-N 435.488 1.225 0 40 IDAB O=C(O)c1ccc(NC(=O)N2CCN(C(=O)Nc3ccc(C(=O)O)c(O)c3)CC2)cc1O 1669568 JKLLTFMLZLYIFF-UHFFFAOYSA-N 444.400 1.876 0 40 IDAB Cc1ccccc1NC(=O)[C@@H](C)NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 2126662 SOJAAJNZOAFWND-JCSQCDBKSA-N 434.489 1.835 0 40 IDAB biogenic Cc1ccc(NC(=O)C(=O)NCCCN(C)C(=O)Cn2c(=O)sc3ccccc32)cc1 9130567 YHDNCKVRYUTXEP-UHFFFAOYSA-N 440.525 1.975 0 40 IDAB COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(NC(C)=O)cc3)CC1)NS2(=O)=O 12142600 YGYONBKKXVHVGL-UHFFFAOYSA-N 444.513 1.990 0 40 IDAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 12165509 GRVUYYSLDKCMCN-UHFFFAOYSA-N 441.509 1.584 0 40 IDAB CC(C)Oc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 12444908 PJBHUPCJPSFYSW-UHFFFAOYSA-N 433.534 1.146 0 40 IDAB CC1CCN([C@H](CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2cccs2)CC1 12774906 BJQFMUGZIJEWAW-QGZVFWFLSA-N 441.557 1.897 0 40 IDAB CCOc1cc(C(=O)Nc2ccc(C(=O)NC)cc2)ccc1OCC(=O)N1CCOCC1 13039509 NIEMPKFRAVMRTK-UHFFFAOYSA-N 441.484 1.935 0 40 IDAB CC(C)n1ncc2c(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc(C3CC3)nc21 14083497 NAABIXXLXSIBAW-MRXNPFEDSA-N 431.562 1.835 0 40 IDAB O=C(CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)NC[C@H]1CCCO1 14139816 LHGGZLANKJFYSS-QGZVFWFLSA-N 431.924 1.303 0 40 IDAB O=C(NCCNC(=O)c1cccs1)c1nc(Cn2cc(Br)cn2)no1 15082719 FTNBANZMYKHYLP-UHFFFAOYSA-N 425.268 1.298 0 40 IDAB CCN(CC(=O)Nc1cccc(S(C)(=O)=O)c1)CC(=O)Nc1ccc2c(c1)OCCO2 15452648 PFXLWLYDAPJNFS-UHFFFAOYSA-N 447.513 1.760 0 40 IDAB O=C(CNC(=O)Nc1cccc(Cl)c1)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 16478753 WHBMOKUGGNCTKW-INIZCTEOSA-N 432.864 1.390 0 40 IDAB CCCCn1c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)n[nH]c1=O 19134606 RUYJDMNVKSJSHA-UHFFFAOYSA-N 443.551 1.361 0 40 IDAB CC(C)NC(=O)[C@H]1CN(C(=O)c2ccccc2F)C[C@@H]1c1ccnc(N2CCOCC2)n1 19450152 ZOAJRMQLPAIZPK-ROUUACIJSA-N 441.507 1.833 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)CN2CCCC2=O)CCO1 19702858 JENKOWMAHHJEJB-HNNXBMFYSA-N 446.529 1.195 0 40 IDAB C[C@@H]1CN(C(C)(C)CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 22433383 WIRATMBBXXVZMW-HUUCEWRRSA-N 431.986 1.965 0 40 IDAB O=C(CN1CCN(CCC(=O)N2CCOCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 32932815 WJTIZYHUKPELIK-UHFFFAOYSA-N 444.454 1.390 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)NC(=O)N[C@H]1C 36384057 MUEDJTHHBAJSFC-OFQRWUPVSA-N 429.473 1.658 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccc(Cl)c3)CC2)C[C@H](C)O1 40081106 QGWNPAZWMHSCLP-MIVXPEEVSA-N 427.954 1.851 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 40089399 SOHZVEYQRQTYED-UHFFFAOYSA-N 439.299 1.596 0 40 IDAB COc1ccc([C@@H](CNC(=O)Cn2cc(C(N)=O)c3ccccc32)N2CCOCC2)cc1 48290327 ZTMKFITUTAKGFQ-JOCHJYFZSA-N 436.512 1.939 0 40 IDAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1OC 72284021 LXNDQDUQRUBCLL-AWEZNQCLSA-N 433.486 1.021 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCCn2c(=O)[nH]c3ccccc32)C(C)C)c1 79022703 BDMVSAWNYNRIGO-FQEVSTJZSA-N 440.500 1.918 0 40 IDAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1C 95476644 IIYNSOMSEKDFDZ-SFHVURJKSA-N 441.484 1.933 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)OC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 97117143 SZWFMSMZYIQKCB-HNNXBMFYSA-N 434.555 1.963 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 102129485 PEIJFJBVRAJPFY-KFWWJZLASA-N 430.457 1.874 0 40 IDAB CC[C@@H](C(=O)NCCCN1CCOCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222495807 VXGFEBIHEMFYBF-INIZCTEOSA-N 447.985 1.732 0 40 IDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)C 239306236 GPKHYEGVIIWOKA-JYJNAYRXSA-N 426.558 1.543 0 40 IDAB C[C@]1(C(=O)N2CCOCC2)CN(CC(=O)Nc2ncc(Cc3ccccc3)s2)CCO1 257202336 ALIGSPUZRULQFZ-JOCHJYFZSA-N 444.557 1.622 0 40 IDAB O=C(CN1CCOCC1)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257204652 AVTCDMBIUYBOLN-FQEVSTJZSA-N 434.924 1.917 0 40 IDAB CN1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@H](Cc2cccc(-c3cccs3)c2)C1=O 257209015 BOPVBXOCAQOZNK-IAGOWNOFSA-N 440.525 1.615 0 40 IDAB CCOCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408709977 KAFMMJMGPQDSMV-UHFFFAOYSA-N 427.457 1.827 0 40 IDAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1 409208815 DMHOBINBHMKCHS-IUPCOXQMSA-N 448.497 1.960 0 40 IDAB COCCn1c(C)cc(C)c(C(=O)NCCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1=O 524732229 QPAHIROEGSKMGT-MOPGFXCFSA-N 440.544 1.122 0 40 IDAB biogenic Cc1cc2c(cc1S(=O)(=O)NC(=O)c1c(Cl)cnn1C)O[C@H](C(C)C)C(=O)N2 585282047 WUYGVVWOJDNJMF-OAHLLOKOSA-N 426.882 1.856 0 40 IDAB Cc1cc([C@H](O)[C@H](O)CO)c(Cc2ccc(N[C@@H]3CC(=O)O[C@@H]3/C=C/[C@@H](C)O)cc2)o1 1772591826 QZRCQDUNRLFOKR-VEJKPFOOSA-N 431.485 1.598 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCC[C@@H](COc3ncccn3)C2)cc1 1775968541 QDQYHHCWXREJGR-OAHLLOKOSA-N 430.486 1.610 0 40 IDAB Cc1nnc(SCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)n(N)c1=O 2652249 LFIMVVUXZXLGSL-HNNXBMFYSA-N 441.513 1.894 0 40 IDAB CC(C)(C)OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O 6002591 HZXWVCLHZLFBCA-HZPDHXFCSA-N 435.521 1.824 0 40 IDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 9111976 YXKDMTVGNAXVIP-OXJNMPFZSA-N 437.493 1.161 0 40 IDAB CCCN1C(=O)NC(=O)[C@@]2(Cc3c(nc4c(C)cccn4c3=O)N3CCCCC[C@@H]32)C1=O 9129550 XMLATFSWMODIJN-MWTRTKDXSA-N 437.500 1.783 0 40 IDAB CC1(C)Cc2c(sc3c2c(=O)n(CCCO)c(=O)n3CC(=O)N2CCCCC2)CO1 9304762 LIEYEKMQAXFNPI-UHFFFAOYSA-N 435.546 1.471 0 40 IDAB Cc1cc(=O)oc2c(C)c(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 9488575 VBTZSIKYNWSHLO-UHFFFAOYSA-N 430.482 1.795 0 40 IDAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)c(C)cc1Cl 9644394 SKRRVSPYGLAHOP-BPLDGKMQSA-N 430.910 1.156 0 40 IDAB Cc1ccc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)s1 10708216 QJNUWFLNSJZEFV-UHFFFAOYSA-N 449.577 1.906 0 40 IDAB O=C(Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2c[nH]nc2-c2ccncc2)CC1 12087925 LLIQSCVERGTORO-UHFFFAOYSA-N 429.477 1.686 0 40 IDAB O=C(NN1C(=O)c2ccccc2C1=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 12973186 MNCBEUIFWUKECX-UHFFFAOYSA-N 438.465 1.175 0 40 IDAB CC(=O)N[C@H](Cc1ccccc1C)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1 13150498 DJIHQESUDQRTQC-JOCHJYFZSA-N 447.543 1.803 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 13572639 PBHPEXDLKNNCAD-PRHHBONVSA-N 439.899 1.950 0 40 IDAB O=S(=O)(N1CCCCCC1)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 14306464 XBAJWBLTMIGHNV-UHFFFAOYSA-N 433.460 1.386 0 40 IDAB Cc1cc(C)c2c(c1)[C@@]1(N[C@@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15959536 RPQFRVHPUSVADI-CPQDGOSYSA-N 433.508 1.647 0 40 IDAB Cc1cc(C)n(C(=O)c2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)n[nH]2)n1 17011507 IXICIGNVOSBUDL-UHFFFAOYSA-N 432.481 1.562 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](n2c(Br)nc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]12 17423648 SPIGLDZVEURWTD-ISCDUZKHSA-N 428.243 1.152 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4F)CC3)C2)cn1 20045170 MLBTVLILHSQYLL-SFHVURJKSA-N 449.552 1.304 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 20744416 DDXBPKYHEBVAKV-QGZVFWFLSA-N 431.514 1.138 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 23053936 IZJXHPYEZQWZJC-INIZCTEOSA-N 431.514 1.971 0 40 IDAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23074078 FCFXIAUXWZKLSU-WBVHZDCISA-N 435.502 1.348 0 40 IDAB NS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1 25008554 HGAOXWKSBWGPCY-UHFFFAOYSA-N 449.360 1.193 0 40 IDAB COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)NCCN2CCOCC2)cc1OC 25179996 GFOFPUXRJLBUHX-SAPNQHFASA-N 429.473 1.516 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(C[C@@H](O)COc2ccccc2)CC1 40160699 FDZHVDDZXSXXFT-GOSISDBHSA-N 448.541 1.594 0 40 IDAB COc1ccc(N2C[C@H](NC(=O)NCCN3CCN(c4ccccc4)CC3)CC2=O)cc1 56925357 XXOPSEVGJCYSMY-LJQANCHMSA-N 437.544 1.922 0 40 IDAB CC(=O)[C@@H](C)n1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 57122028 KQRBHBIEQVNESQ-CQSZACIVSA-N 442.495 1.045 0 40 IDAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O 57996325 HXNWWGKWHGSDEI-CPJSRVTESA-N 444.491 1.820 0 40 IDAB Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)CN2CCCNC2=O)c2ccccc2)c(C)c1 72297592 HFRPBJNMGCZAJW-IBGZPJMESA-N 444.557 1.855 0 40 IDAB C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)Cn4ccnc4)CC3)n2)C1 72335945 MQRGJXJVUFQHPH-MRXNPFEDSA-N 446.577 1.719 0 40 IDAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)CC2)C1 72394375 NNLRIIOZSTUOIE-SFHVURJKSA-N 434.558 1.922 0 40 IDAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccncc1 95471241 DXYQTHMBFDPHGN-CABCVRRESA-N 434.493 1.765 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1nnc(-c2ccccc2)o1 103214503 WGUOJICKDAEHNC-UHFFFAOYSA-N 427.413 1.893 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cc4ccccc4oc3=O)c2)CC1 108940754 XUXVEYVDQNVTJA-UHFFFAOYSA-N 427.482 1.981 0 40 IDAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cn1cnc2ccccc2c1=O 206803049 DGEUFFBZTBMOGP-KBXCAEBGSA-N 425.416 1.757 0 40 IDAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224116204 KQLDJCGCKUOCCP-GOSISDBHSA-N 443.525 1.775 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c(C)c1 224333232 CAHMIDCPFPTWRU-UHFFFAOYSA-N 431.562 1.749 0 40 IDAB O=C1CCCN1CCOCC(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 257269195 MOZCLRKIJBKZQI-GOSISDBHSA-N 445.564 1.771 0 40 IDAB CC(=O)N[C@H]1CC2(CCN(C(=O)COc3ccc4c(c3)cc(C)n4C)CC2)OC[C@]1(C)O 257306260 STMWSIYOTOVBMN-GMAHTHKFSA-N 443.544 1.903 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)N1CCC(n2nnc3ccsc3c2=O)CC1 390829715 GBBWRJOOTCXFBX-UHFFFAOYSA-N 440.528 1.727 0 40 IDAB Cn1ccnc1[C@]1(CNS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)NC(=O)NC1=O 1615588451 QDXRPMXBDWDOJH-NRFANRHFSA-N 437.481 1.005 0 40 IDAB COc1ccc(-c2ncnc(N3CCN(C(=O)c4cn(C)nc4OC)CC3)c2F)cc1 1775974740 NTJPPYWFGDTRRP-UHFFFAOYSA-N 426.452 1.996 0 40 IDAB NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc(F)cc3)C(=O)N12 2968322 YTVXHNXUOXVTNH-MRXNPFEDSA-N 439.472 1.709 0 40 IDAB COC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(C(=O)OC)cc2)cc1 6879049 GCODMAFNBBUCEC-UHFFFAOYSA-N 427.442 1.966 0 40 IDAB Cn1c(=O)c2cc(S(=O)(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc2n(C)c1=O 8815671 FVFYOIAEENHOLX-UHFFFAOYSA-N 445.541 1.892 0 40 IDAB CCn1c(S)nc(=O)c([C@@H](c2ccccn2)c2c(O)nc(S)n(CC)c2=O)c1O 9190742 JBMZOOCPNWPKGS-JTQLQIEISA-N 433.515 1.404 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cccc(C)c1 9613480 FPAUMUAOXWGPAK-UHFFFAOYSA-N 426.516 1.825 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1nnc(-c2ccccc2)n1 9663364 VQRDUGXVTFVFTN-UHFFFAOYSA-N 442.501 1.308 0 40 IDAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9950791 XCRVCZJQIQEPSY-UHFFFAOYSA-N 429.498 1.852 0 40 IDAB COc1ccc(-c2nc(N3CCN(S(=O)(=O)N(C)C)CC3)ncc2-c2ncc[nH]2)cc1 12221343 KWQVLSDYBYIJMP-UHFFFAOYSA-N 443.533 1.471 0 40 IDAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1)c1ccc(F)cc1 12784977 CZDQNBJMUJJLMA-CYBMUJFWSA-N 436.509 1.541 0 40 IDAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 13513687 DVYIPXPDIFRZMK-FCEWJHQRSA-N 432.550 1.758 0 40 IDAB Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1 19552702 ACGLMOCARDSHAA-CQSZACIVSA-N 436.520 1.568 0 40 IDAB Cn1cc(-c2ccc([C@H]3CCCN3C(=O)CCC(=O)N3CCNC(=O)C3(C)C)nc2)cn1 19688866 LDKCGXCOIGYRPX-LJQANCHMSA-N 438.532 1.663 0 40 IDAB Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)CN4CCOCC4)CC3)nc2n1 19743269 MKPCCFULTWYAGY-UHFFFAOYSA-N 438.454 1.972 0 40 IDAB O=S(=O)(c1cccc(-c2nnc(Sc3ccc4nnnn4n3)o2)c1)N1CCCCC1 22202696 KXNDPUIQDDGUMQ-UHFFFAOYSA-N 444.502 1.895 0 40 IDAB COc1ccc(Br)cc1CN(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 22529470 QVGASYXYZMXHKR-UHFFFAOYSA-N 447.289 1.676 0 40 IDAB COc1ccc(OC[C@@H](O)CN2CCN(C[C@@H](O)COc3ccc(OC)cc3)CC2)cc1 22921213 AAUPHOUSNSWUKE-BGYRXZFFSA-N 446.544 1.501 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cc2csc(N3CCCC3=O)n2)C1=O 23948775 LXGOURUXYLCEQG-NRFANRHFSA-N 441.513 1.787 0 40 IDAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)n1 36364812 PLIYQMQMRFXRHN-INIZCTEOSA-N 444.513 1.403 0 40 IDAB Cc1nc(COc2ccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)cs1 57373481 SVZHFTNRRPQGPO-GOSISDBHSA-N 435.571 1.975 0 40 IDAB COc1ccc(C(=O)N2CCC[C@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)cc1OC 57730199 RFRXOVBKBLNCMQ-AWEZNQCLSA-N 445.501 1.565 0 40 IDAB COc1ccc(CCC(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1O 60322410 PQKQQOXUGZAQCC-ZDUSSCGKSA-N 448.497 1.502 0 40 IDAB O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 65474577 CJJYDZFJFVVZRI-AWEZNQCLSA-N 434.484 1.163 0 40 IDAB Cc1cc(N2CCCC2)nc(C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)n1 72337142 JEKXOJSGNPXVAJ-UHFFFAOYSA-N 435.594 1.763 0 40 IDAB C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 79023657 PKTZNNDMWJADOI-GOSISDBHSA-N 449.555 1.580 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nc(O)nc3SC)CC2)cc1 84019572 ALTMSGYACIJRFI-UHFFFAOYSA-N 438.531 1.368 0 40 IDAB CCS(=O)(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1cccc(OC)c1)Cn1ccnc12 96144711 PWLASICCEJMLJX-GOSISDBHSA-N 448.545 1.248 0 40 IDAB CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)CC1 409390799 LMSAVEWNRRDQTC-HNNXBMFYSA-N 429.970 1.913 0 40 IDAB O=C(O)CC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 2338684 ITLLBGBJIXZGKY-YQYRJILISA-N 437.427 1.611 0 40 IDAB CCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 6501223 QBFJTXIMYIRZBY-KRWDZBQOSA-N 433.486 1.414 0 40 IDAB CC(=O)Nc1cccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)c1 8848934 GNDABQKAAYFTTB-UHFFFAOYSA-N 438.419 1.293 0 40 IDAB CCOC(=O)c1c(NC(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)sc2c1CCCC2 8871588 FOVLTHDVBXTNDL-UHFFFAOYSA-N 431.474 1.179 0 40 IDAB O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)N1CCCc2ccccc21 9001294 CRQJXBJXWASIOO-UHFFFAOYSA-N 427.464 1.981 0 40 IDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1 9570226 WPYZHWGBLZPBER-VQHVLOKHSA-N 443.525 1.697 0 40 IDAB CC(=O)N1CCN(C(=O)[C@H](NC(=O)c2cccc(C)c2)S(=O)(=O)c2ccccc2)CC1 9764163 ZOVXFMBIJCBVIK-OAQYLSRUSA-N 443.525 1.216 0 40 IDAB C[C@@]1(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)CCS(=O)(=O)C1 9909780 HEXYVWQKOGWEAZ-NHCUHLMSSA-N 429.498 1.300 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(-c3nnnn3C)c2)cc1 11289290 WUVHQJPYDUMTGW-UHFFFAOYSA-N 444.517 1.925 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3nnc(-c4ccncc4)n3)C2)cc1F 12085413 UOEUNXIUNRXTEU-CQSZACIVSA-N 432.481 1.984 0 40 IDAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1OC 12390933 IOVGQJLNTPJIHS-UHFFFAOYSA-N 448.526 1.855 0 40 IDAB Cn1cc(/C=C/C(=O)NCCSCc2ccc(Br)s2)c(=O)n(C)c1=O 12911303 QXMWEVJGAMEWSI-ZZXKWVIFSA-N 444.376 1.971 0 40 IDAB COC(=O)C1CCN(C(=O)CNC(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)CC1 13728926 ZYJRATJYMDMVPS-UHFFFAOYSA-N 433.461 1.335 0 40 IDAB CCOC(=O)N1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cc(OC)c(OC)cc23)CC1 13799211 NBCKLODUIGYDDB-UHFFFAOYSA-N 448.476 1.684 0 40 IDAB COc1ccc([C@@H](NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2nccn2C)cc1 16475821 ROUPUAUQEBFNMN-GOSISDBHSA-N 425.489 1.889 0 40 IDAB Cc1cc2c(cc1Br)C(=O)[C@](CN1CCOCC1)(N1CCOCC1)CO2 19203039 LKUFHQBIRHUAHY-LJQANCHMSA-N 425.323 1.736 0 40 IDAB O=C(c1ccccc1F)N1CCc2c(nc([C@H]3CCN(C(=O)[C@@H]4CCCO4)C3)[nH]c2=O)C1 19347660 JVWSYLHVXFCQEY-LIRRHRJNSA-N 440.475 1.602 0 40 IDAB C[C@H]1CCc2c(sc3ncn(C4CCN(C(=O)CN5CCNC5=O)CC4)c(=O)c23)C1 19497206 NYDPVQQVIXYYQB-ZDUSSCGKSA-N 429.546 1.772 0 40 IDAB CN1CCN(C(=O)[C@H]2[C@@H](C(=O)NCc3ccncc3)[C@@]2(C)C(=O)c2ccccc2N)CC1 19576058 ROAQMXOHVWTSGT-DCLXLUIPSA-N 435.528 1.189 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(OC)c3)[nH]c(=O)c2C1 19592907 GZNIJIZJDPJXMO-IBGZPJMESA-N 440.500 1.677 0 40 IDAB CC(C)CN1CCC2(CC1)NC(=O)N([C@H]1CCCN(S(=O)(=O)c3ccccc3)C1)C2=O 19699789 BVUJHONZTLMRRV-SFHVURJKSA-N 448.589 1.882 0 40 IDAB COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3CCNC(=O)C3)CC2)c1 19747117 SZNBXUDRWJAJNA-NRFANRHFSA-N 442.560 1.360 0 40 IDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 20245828 ANEHUBQEVGQGOG-UHFFFAOYSA-N 446.529 1.654 0 40 IDAB CCOc1ccccc1C(=O)NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23762813 ZBFUWNMHDXDJAR-UHFFFAOYSA-N 425.485 1.888 0 40 IDAB CCCn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nc2c(C)nn(C)c2c1=O 28559171 GHKGZJSSESMXFS-UHFFFAOYSA-N 442.495 1.715 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)CC2)cc1 32863564 VIHIZAKASZRAPS-LJQANCHMSA-N 438.594 1.368 0 40 IDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 36386019 GUCHXODHYYVEIX-KRWDZBQOSA-N 445.541 1.932 0 40 IDAB O=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)N1CCOCC1 56949783 RJMWFJSNJCWPEH-UHFFFAOYSA-N 431.464 1.339 0 40 IDAB COc1cccc(CNC(=O)Cn2nc3nc(Nc4ccccc4)ccn3c2=O)c1OC 57507440 XDBBTYZFWJDMNF-UHFFFAOYSA-N 434.456 1.968 0 40 IDAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCC(N2CCNC2=O)CC1 58200890 FNPRZBLNRVTVIN-IBGZPJMESA-N 435.956 1.913 0 40 IDAB O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCCN(C(=O)C2CC2)C1 58356878 LKSDLYZEICPFEJ-KRWDZBQOSA-N 432.952 1.753 0 40 IDAB CC(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)c2nc(N3CCCC3)ncc2Cl)C1 58439219 NVXVJDOQBGWKSB-AWEZNQCLSA-N 429.974 1.910 0 40 IDAB COC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 78878579 VJHCYGXPUVCNNL-LLVKDONJSA-N 446.323 1.460 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@@H]4OCCN(C)[C@H]4C3)ccc2C)cc1 89651313 DNJALXHLHKTVCD-PMACEKPBSA-N 445.541 1.959 0 40 IDAB Cn1nc(-c2ccccc2NC(=O)c2c[nH]c(=O)n(-c3ccccc3F)c2=O)ccc1=O 96025139 HQIOCSLRFHKXRK-UHFFFAOYSA-N 433.399 1.678 0 40 IDAB COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2cc3ccccc3[nH]c2=O)o1 96221273 YBDHHYOZGZWYQO-MRXNPFEDSA-N 440.452 1.714 0 40 IDAB biogenic Cc1cccc(CN2CCN(C(=O)CN[C@@H](c3nc(-c4nc[nH]n4)no3)C(C)C)CC2)c1 97141117 AFFWEWAEZWPDKM-LJQANCHMSA-N 438.536 1.794 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(CCc4ccncc4)CC3)C2=O)cc1 100204134 FRZYLQAAEFSJLU-OAQYLSRUSA-N 436.512 1.751 0 40 IDAB CCOC(=O)C1=NO[C@@H]2[C@H]1[C@@H]1C[C@@H]2[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]12 100326869 DWNHDAZTKYKHER-KUTDASGASA-N 442.468 1.431 0 40 IDAB C[C@@H](CNC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 100775143 QTKREROYBHNMOS-COJZMXCISA-N 434.533 1.851 0 40 IDAB biogenic CC(C)C[C@H](C(=O)Cc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100971833 ZDSUGXMZPJTIJK-OVWALXMSSA-N 430.526 1.667 0 40 IDAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)c1 223016367 ARFMIOUPVJHZIF-KRWDZBQOSA-N 434.470 1.574 0 40 IDAB COC(=O)c1cc(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)cc(C(=O)OC)c1 223310696 JHRGUFBIGMVGLV-UHFFFAOYSA-N 434.470 1.739 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NCCCOC)s1 223746238 NXIAAWKBBKMWGW-UHFFFAOYSA-N 427.508 1.454 0 40 IDAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1COc2ccccc2O1 224445519 YOHFOHPAEXACAX-FQEVSTJZSA-N 448.497 1.043 0 40 IDAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1cccc(N2CCCC2=O)c1 257281294 OOLUFLHROYHMIC-QFIPXVFZSA-N 434.540 1.929 0 40 IDAB COc1ccc(Cn2nc3n(c(=O)c2=O)CC2(CCN(C(=O)C4(F)CC4)CC2)C3)cc1 585105956 AOXCKXLIENXRTB-UHFFFAOYSA-N 428.464 1.129 0 40 IDAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1c(Cl)cnn1C)O[C@@H](C(C)C)C(=O)N2 585282045 WUYGVVWOJDNJMF-HNNXBMFYSA-N 426.882 1.856 0 40 IDAB Cc1c(NC(=O)Cn2cc(I)cn2)c(=O)n(-c2ccccc2)n1C 1432978 PYXQFRDWBIVJJJ-UHFFFAOYSA-N 437.241 1.924 0 40 IDAB COc1cc(/C=C\C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)O)cc(OC)c1OC 8665515 SAZDGPRWZSXGOK-JWEAKUPMSA-N 436.486 1.357 0 40 IDAB COc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1S(=O)(=O)NC1CC1 9412789 CWNLFLHXAISNSL-UHFFFAOYSA-N 449.554 1.796 0 40 IDAB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 9467989 DROUGKCVDGTHFU-UHFFFAOYSA-N 441.465 1.939 0 40 IDAB COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 9569908 YKBDJKCCEPGLHJ-UHFFFAOYSA-N 435.521 1.645 0 40 IDAB COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1 9570172 ONVPUXAWEKLHHH-UHFFFAOYSA-N 447.557 1.515 0 40 IDAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1n[nH]c(=O)c2ccccc12 9955211 RMHZNZOTAHVQSH-UHFFFAOYSA-N 448.888 1.850 0 40 IDAB COc1ccc(S(=O)(=O)CC(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 10219407 PEFYLNKWJHJRTJ-UHFFFAOYSA-N 431.426 1.929 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)NC4=O)CC2)cc1 11126737 IJBSPIVZIPECJH-UHFFFAOYSA-N 427.482 1.918 0 40 IDAB CC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 12934110 DBTRMOZVCCZRJA-UHFFFAOYSA-N 429.489 1.493 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1 13848559 HJTWQORZEWKLJC-UHFFFAOYSA-N 426.502 1.715 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)cc1 14232636 CGBMZFQYNYXCNW-BBRMVZONSA-N 433.486 1.268 0 40 IDAB O=C(CSc1nnnn1Cc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCCO2 15081658 YTQROSWMQSOJNC-UHFFFAOYSA-N 427.442 1.952 0 40 IDAB O=C1C[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CN1c1ccc2c(c1)OCCO2 16048056 NTRXAMYGAANUFK-ZDUSSCGKSA-N 432.454 1.313 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 16521467 OWBBGEXHBDJSGX-OAHLLOKOSA-N 428.514 1.999 0 40 IDAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 19083767 SOURDNRWDKTADN-MRXNPFEDSA-N 443.552 1.334 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@H]3CC=CCC3)[nH]c2=O)C1 19520444 KUHZXYKGJBNJKU-MAUKXSAKSA-N 434.562 1.888 0 40 IDAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCNC(=O)C2)nc2c1CCC(=O)N2CC(C)C 19741083 KZPTYAOOHFBMFT-GOSISDBHSA-N 442.564 1.206 0 40 IDAB CC(C)OCC(=O)N1CCO[C@@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)C1 19762337 DTCUHNNJDOUICF-JOCHJYFZSA-N 440.544 1.947 0 40 IDAB COc1ccc(NC(=O)c2cnc(C3CCN(C(=O)CNC(C)=O)CC3)nc2C)cc1 19763800 JAGNGGQMIGQCNY-UHFFFAOYSA-N 425.489 1.888 0 40 IDAB O=C(CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1)Nc1ccc(OC(F)(F)F)cc1 21704559 CFFNHLFVOYAPNA-UHFFFAOYSA-N 443.363 1.597 0 40 IDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 22357592 FLMMIUUJJSBOEX-UHFFFAOYSA-N 447.417 1.843 0 40 IDAB CN1[C@@H](CCC(=O)N2CCc3ccccc32)CNC(=O)[C@@H]2[C@H]1CCN2Cc1csnn1 22922784 WGUBQHLNURHEHV-DSKINZAPSA-N 440.573 1.281 0 40 IDAB biogenic,in-vitro COCCNC(=O)Cn1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)CSC2 23138887 AJRKAUOGHOEJKB-UHFFFAOYSA-N 428.470 1.751 0 40 IDAB COc1ccc([C@H](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)NC(C)=O)cc1 23463484 SCFMWADHXBBVHJ-IBGZPJMESA-N 437.504 1.288 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCN(c2cnccn2)CC1 25343989 UJFIWNQXXGQSDM-CQSZACIVSA-N 430.306 1.941 0 40 IDAB Cc1ccccc1-c1ccc(N2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)nn1 38488095 NJBWZJWFOOQESN-UHFFFAOYSA-N 443.573 1.772 0 40 IDAB C[C@@H](C(=O)N1CCC[C@@H](C)C1)N1CC[C@@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 72342472 MOJNBVJGCKZROS-XFQAVAEZSA-N 434.562 1.746 0 40 IDAB CC(C)S(=O)(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 72399221 FJGRSCYPUNZXNB-QGZVFWFLSA-N 436.578 1.804 0 40 IDAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2cn(C)nc2C)c2cc(Br)ccc21 101455918 RKJFBUGRVLPEOQ-OAHLLOKOSA-N 434.294 1.331 0 40 IDAB COc1ccc(CCCNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1OC 219670114 ZRCDNWWUDPBPCF-UHFFFAOYSA-N 432.498 1.987 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 225666037 WHPWVZFIFKELBE-UHFFFAOYSA-N 444.513 1.752 0 40 IDAB CN(C)CCOc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3cnc4c(N)ncnc43)CC2)cc1 257243535 IHKXWCZKKONZHW-ROUUACIJSA-N 439.520 1.187 0 40 IDAB CC(=O)N[C@H]1CC[C@](CNC(=O)CN2CCCCCC2=O)(c2ccccc2)CC[C@@H]1O 257246517 IUKYKHBKMFBXQC-HFMPRLQTSA-N 429.561 1.883 0 40 IDAB CC(=O)N[C@]12CCO[C@@H](CCNC(=O)c3cccnn3)[C@@H]1C[C@H]1C[C@H]2[C@@H](C)NC1(C)C 257248103 JCCVYWVXGPEVDN-KVZDDENPSA-N 429.565 1.673 0 40 IDAB Cc1[nH]ncc1CN1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCN(C)CC2)C1 257316965 VHSQEZMYDDQKRS-QHCPKHFHSA-N 445.539 1.671 0 40 IDAB Cc1nonc1CNC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCCC3)c2C)CCN1C 257317994 VMBNCWHCXFEHJX-NRFANRHFSA-N 440.548 1.749 0 40 IDAB CC(C)N1[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N(C)c2ncccc2S1(=O)=O 306131329 KCBLEAYNWBIJOF-DLBZAZTESA-N 430.530 1.912 0 40 IDAB COc1ccc(S(=O)(=O)N2CC(NC(=O)c3c(C)nn4c(C)cc(C)nc34)C2)cc1 534825484 HJHQOUSFWSSBGF-UHFFFAOYSA-N 429.502 1.466 0 40 IDAB Cc1cc(=O)n2[nH]c(NS(=O)(=O)c3ccc(CCNC(=O)C(C)(C)C)s3)nc2n1 537748390 IFGVJVRETKBGPO-UHFFFAOYSA-N 438.535 1.293 0 40 IDAB COc1ccccc1N=c1nc(N)nc(CN2CCC(C)(CN3CCN(C)CC3)CC2)[nH]1 542597201 XVTYJACUSKDFSJ-UHFFFAOYSA-N 440.596 1.477 0 40 IDAB CCN1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 585168868 VRIBECTWASLRIZ-RTWAWAEBSA-N 448.523 1.944 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(c5cc(C(F)(F)F)ncn5)C[C@H]4C3)ncnc21 1888913590 RNNFSOJRQNNJIL-STQMWFEESA-N 434.426 1.854 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 2631238 SZONKUGYKCAKNJ-UHFFFAOYSA-N 425.532 1.876 0 40 IDAB CCCn1c(N)c(N(CCOC)C(=O)c2nc(-c3ccccc3)oc2C)c(=O)[nH]c1=O 3413299 WBZHJFVBNCRSEM-UHFFFAOYSA-N 427.461 1.785 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CCCC[C@H]3C)CC2)c1 7525170 VJUYGIQBTIRLEU-MRXNPFEDSA-N 425.551 1.411 0 40 IDAB Cc1ccc([C@@H](CC(=O)O)Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 8680445 WVSNBQMWNXFFPT-QGZVFWFLSA-N 428.493 1.481 0 40 IDAB C[C@@H]1CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C[C@@H](C)O1 9335174 AKBLHPQDPWXGFG-IAGOWNOFSA-N 446.525 1.958 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2)c1 9577721 ABCJQNGJXDLIBW-HXUWFJFHSA-N 445.541 1.473 0 40 IDAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)[C@@H]1C 9787899 KGQXZKRTRFWWPN-BFYDXBDKSA-N 435.546 1.989 0 40 IDAB Cc1cc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCCO3)CC2)ccc1Br 9867010 BPCCSXOGDQXMKJ-CQSZACIVSA-N 446.367 1.952 0 40 IDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 9882335 JCYOFCXWCMDGHB-KRWDZBQOSA-N 432.498 1.915 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCN1CCCCC1 10279711 VPKXSJDHRCCXRN-UHFFFAOYSA-N 425.551 1.322 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 10544409 OEDGBGXLGKARGK-CYBMUJFWSA-N 447.941 1.804 0 40 IDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 12180106 OGMPMMVCFAZGJI-MRXNPFEDSA-N 430.486 1.747 0 40 IDAB O=C(C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1)N1CCC2(CC1)OCCO2 12408599 NQWMCBKQKSWDAI-IBGZPJMESA-N 441.528 1.644 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3ccncc3)CC2)c1 12554326 FJYQZGXGUOEOLU-UHFFFAOYSA-N 430.530 1.950 0 40 IDAB NC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 12793561 NJVLDMJSVMXACV-UHFFFAOYSA-N 448.467 1.329 0 40 IDAB O=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1)c1ccc[nH]1 13100771 BMTVECMNZBZNOQ-LPHOPBHVSA-N 428.466 1.718 0 40 IDAB CCN(C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 13135833 PMWROWRTLCADAE-CQSZACIVSA-N 447.542 1.237 0 40 IDAB CC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 13137769 IVUJZQHLDLNDGS-OKILXGFUSA-N 443.953 1.442 0 40 IDAB CC(C)n1c(O)c([C@@H]2c3ccc(O)cc3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c(=O)[nH]c1=O 13556826 NQWWSJUFPRVTIR-ZDUSSCGKSA-N 442.428 1.246 0 40 IDAB COc1ccc(OCC(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 15881650 LUOYIBRPFSNKQR-UHFFFAOYSA-N 447.557 1.505 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 16682737 IPXHPNRPFYNGQZ-UHFFFAOYSA-N 428.507 1.126 0 40 IDAB CS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)cc1 19573385 ADKLVXGWXCEEDF-INIZCTEOSA-N 438.509 1.794 0 40 IDAB CN(C)c1ncc(-c2cncnc2)c([C@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 19692989 CDMKYPSSNGUWDU-GOSISDBHSA-N 426.521 1.985 0 40 IDAB CN(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699888 YDGICRNGRWYLLN-LJQANCHMSA-N 427.549 1.126 0 40 IDAB COc1cccc(OCC(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 22733108 SAAWEMWFTUBSCW-UHFFFAOYSA-N 447.557 1.505 0 40 IDAB O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 24573562 BEZTYFZAYKIONN-SNXGKTBFSA-N 431.602 1.743 0 40 IDAB NC(=O)c1ccc(CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C2CC2)cc1 31169842 CBESZPOVOQRTKS-UHFFFAOYSA-N 443.525 1.611 0 40 IDAB COc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)c1 31772972 KFBPHCKCJLBHRK-KRWDZBQOSA-N 445.540 1.457 0 40 IDAB CCS(=O)(=O)N1CCC(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1 32907998 HKLOVKXQDWLOEV-UHFFFAOYSA-N 436.578 1.729 0 40 IDAB O=C(CN(Cc1cccs1)C(=O)CN1C(=O)COc2ccccc21)NC[C@H]1CCCO1 35312447 YEIRZTAPZFBRCX-MRXNPFEDSA-N 443.525 1.798 0 40 IDAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1 48277996 AGGLWMJJOWBDMR-LJQANCHMSA-N 432.908 1.641 0 40 IDAB Cc1noc2nc(-c3cccs3)cc(C(=O)NCC(=O)N[C@@H]3CCS(=O)(=O)C3)c12 48290755 DLHCVUGRSCWIRP-LLVKDONJSA-N 434.499 1.293 0 40 IDAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 58154533 QXVYTXGQOYEDCX-ICSRJNTNSA-N 444.557 1.265 0 40 IDAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4nccn4C)[C@@H]3CO)cc2)nn1C 72321514 YQNNWRRPNJTMFW-WIYYLYMNSA-N 438.488 1.175 0 40 IDAB biogenic,in-vitro CCN1CCN(C(=O)[C@@H]2CCC(=O)NC(=O)N2)[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 72351805 FEZCDAONZYVXBA-LEWJYISDSA-N 448.523 1.944 0 40 IDAB CC(=O)c1ccc2c(c1)CCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)CC2 89593970 STNZYUFXZOYQNU-FQEVSTJZSA-N 444.557 1.793 0 40 IDAB COc1ccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 223124313 KYWCHSARLWQEQW-UHFFFAOYSA-N 446.485 1.691 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 225728058 FTOKNOCXNUEITM-UHFFFAOYSA-N 443.451 1.708 0 40 IDAB Cc1ccccc1OCCNC(=O)[C@H]1CN(C(=O)c2snnc2C(C)C)CCN1C 257228678 FUVCACCSKKVOJS-MRXNPFEDSA-N 431.562 1.921 0 40 IDAB CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)s1 390828586 BHPXXCJYSJJFIN-CQSZACIVSA-N 429.545 1.652 0 40 IDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1 575426466 UCEVLSWCAQYCJE-KRWDZBQOSA-N 445.522 1.953 0 40 IDAB COCC(=O)N1CCN(CC2(O)CCCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 585285011 BKUAYCSGVFLLOG-JOCHJYFZSA-N 442.503 1.561 0 40 IDAB O=S1(=O)CCO[C@H]2CN(S(=O)(=O)c3cccs3)C[C@H]2N1Cc1cccc(F)c1 1534645811 HRNNPZDASRRQAF-CVEARBPZSA-N 446.547 1.491 0 40 IDAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)c1 1636401860 BFOHCGCIDFHUSH-UHFFFAOYSA-N 429.498 1.966 0 40 IDAB COCCn1cnc2c(N3CCN(c4nc5ccsc5c(=O)n4C)CC3)ncnc21 1889015957 JGLZJWWYJUHOBV-UHFFFAOYSA-N 426.506 1.108 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2ccc(F)cc2)cc1OC 798469 CRKRSWLLEZUKGV-UHFFFAOYSA-N 438.477 1.897 0 40 IDAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccn(CC)n3)c(=O)n2[C@H]1c1ccc(O)cc1 2787273 QSOOFDGYWQWEQO-WPNIOXTASA-N 438.509 1.720 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)OCCN1C(=O)c2ccccc2C1=O 3445072 WFTABMPBGJHICI-UHFFFAOYSA-N 436.873 1.848 0 40 IDAB COCCn1nnnc1[C@@H](C(C)C)N(CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 4848022 IMNJKFFLEHFQIC-HXUWFJFHSA-N 428.537 1.969 0 40 IDAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 8439160 HXTSRTDUXRAEJD-WJDWOHSUSA-N 434.470 1.524 0 40 IDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)CNC(=O)COc1ccccc1 8724897 IBRUPKVNOMKLSE-INIZCTEOSA-N 438.484 1.404 0 40 IDAB COc1ccc(N2CCn3c2nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c3=O)cc1 8849309 NMKWTIVBPKSBMB-UHFFFAOYSA-N 427.848 1.857 0 40 IDAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C(=O)NC(N)=O 9050266 VLPXDDSGAGMREQ-ZDUSSCGKSA-N 431.470 1.174 0 40 IDAB O=C(O)Cn1c(=O)c2c3c(sc2n(CC(=O)NCCc2ccccc2)c1=O)CCC3 9059516 IHVQYQMAJHFUNF-UHFFFAOYSA-N 427.482 1.157 0 40 IDAB C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 9509560 ARWIDKASRPDJRF-HNNXBMFYSA-N 437.543 1.165 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1ccc(F)cc1 9577119 ZCTPQZYJEZUPOV-KRWDZBQOSA-N 433.505 1.659 0 40 IDAB CC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccccc2C)S(=O)(=O)c2ccccc2)CC1 9764193 YBMRNLICBFYVHP-OAQYLSRUSA-N 443.525 1.216 0 40 IDAB O=C1CN(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)CCN1 10576671 UNFUWQISGFYJAJ-UHFFFAOYSA-N 440.550 1.986 0 40 IDAB COc1ccc(-c2cc(C(=O)N3CCN(C(C)=O)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11997029 INEXIOGPKINKMF-QGZVFWFLSA-N 446.529 1.223 0 40 IDAB O=C(N[C@@H]1C=CS(=O)(=O)C1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 12322669 WCZIOJIMYNHZLV-ZBCRRDGASA-N 430.523 1.337 0 40 IDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12677162 AORSJTXAVVLNSA-IBGZPJMESA-N 433.530 1.867 0 40 IDAB CCN(C(=O)COC(=O)c1sccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12913370 WXGYKPPAWIYNGC-UHFFFAOYSA-N 442.497 1.747 0 40 IDAB CC[C@@H](C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)c1 13099032 VURCOUNBCOFQSD-CYBMUJFWSA-N 425.532 1.924 0 40 IDAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc2ccccc2c1 16188256 JHCNGCFRQBLJBW-UHFFFAOYSA-N 433.511 1.746 0 40 IDAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)NCc1ccco1 17192577 CYEYRIAGNLCGBI-UHFFFAOYSA-N 438.469 1.236 0 40 IDAB COC(=O)[C@]1(C)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 19460589 VFOVZBMOVLHSID-QPXQOZNCSA-N 438.436 1.545 0 40 IDAB CCN1CCC[C@H]1CNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 19527232 FLEBKTDYCMBGPX-SBUREZEXSA-N 428.533 1.427 0 40 IDAB O[C@H](COCc1ccc2c(c1)OCO2)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22030646 OVXQRVYYDKJFQZ-IBGZPJMESA-N 428.485 1.839 0 40 IDAB O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCN(Cc2ccncc2)CC1 23820088 JXLRJKJIUAWSNG-FQEVSTJZSA-N 444.557 1.497 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC[C@@H](c1cccs1)N1CCCC1 25383995 PDLLGSQPXXSLRA-SFHVURJKSA-N 445.589 1.862 0 40 IDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 25877129 FVTOTBUXEJYUIP-IBGZPJMESA-N 439.438 1.860 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCNC(=O)c1ccc(F)cc1F 32906914 XVKHYSWEBFIKDG-UHFFFAOYSA-N 437.468 1.924 0 40 IDAB CCOC(=O)c1c(C)[nH]c(C(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1C 32994557 GGEWWBUYWOGLFS-UHFFFAOYSA-N 449.508 1.190 0 40 IDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(CN3CCOC3=O)c2)C[C@@H](C)O1 40120682 GYTFLQLLKCHAPL-HUUCEWRRSA-N 440.522 1.199 0 40 IDAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)Cn3c(=O)c(=O)[nH]c4ccccc43)ccc21 40138912 XZIKQOVRQVIYNX-ZDUSSCGKSA-N 435.436 1.413 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC 67287412 YQMMCDXAEHUHAN-FQEVSTJZSA-N 448.520 1.131 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2COc3ccccc3C2=O)CC1 95444701 BKFPZZSPXQRYIA-MRXNPFEDSA-N 433.486 1.452 0 40 IDAB CCOC(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)CC1 96232611 JLPQEJYEPNZGHP-INIZCTEOSA-N 436.896 1.841 0 40 IDAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)n2)cc1OC 101679909 HZICPWWKCSMTCD-GASCZTMLSA-N 429.473 1.935 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)c2ccccc2O1 222632133 CRIQCZYGJCIPKS-IBGZPJMESA-N 448.497 1.719 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222860833 CZUJUPSFDSOFRU-QGZVFWFLSA-N 447.557 1.787 0 40 IDAB CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)nc1C 223309232 SSGOUNUFXQTMSH-UHFFFAOYSA-N 427.504 1.896 0 40 IDAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC1)O2 248336765 OYBMJQRZKQOYGH-PONJGIIJSA-N 448.541 1.403 0 40 IDAB CN1C(=O)N(CC(=O)N2CCC[C@@H]2c2cncc(-n3ccnc3)n2)C(=O)C12CCCCC2 257200954 AFMUDYHSPUKJBN-QGZVFWFLSA-N 437.504 1.923 0 40 IDAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCN1CCOCC1 408625573 WFTZFSOWBGBWJH-UHFFFAOYSA-N 435.521 1.465 0 40 IDAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCN1CCCC1=O 524732816 PYIFDWRYRIQGJE-JOCHJYFZSA-N 432.480 1.930 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575422159 MOTQHNFBMIJGIB-SJORKVTESA-N 425.528 1.352 0 40 IDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1 575426467 UCEVLSWCAQYCJE-QGZVFWFLSA-N 445.522 1.953 0 40 IDAB O=S1(=O)C[C@H](O)[C@@H](Nc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C1 575426570 VVGGNRYYFNIIEA-IRXDYDNUSA-N 433.511 1.605 0 40 IDAB O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)Nc1ccc2c(c1)OCCO2 575608551 VFSGJCDBGCVWMC-UHFFFAOYSA-N 441.492 1.401 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3cn(C)c(=O)nc3O)no2)c(C)c1 685364744 LWWBAUCLPSKQDN-OAHLLOKOSA-N 445.501 1.987 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3c(Cl)cnn3C)C2)cnn1C 2732990 LFFWVIXCGOLITD-ZDUSSCGKSA-N 428.946 1.175 0 40 IDAB O=C(OCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1cc(=O)c2ccccc2o1 8718576 CRFSYFSHWBKVCY-UHFFFAOYSA-N 426.450 1.996 0 40 IDAB Cc1cc(C)nc(SCCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)n1 9015170 DXACGIXAFLHFBV-UHFFFAOYSA-N 425.312 1.775 0 40 IDAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC 9063900 GUPMUMFUSRCUFX-UHFFFAOYSA-N 427.504 1.283 0 40 IDAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 9379249 ONDKAAJOIQQLEC-IBGZPJMESA-N 448.545 1.331 0 40 IDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9484876 XSDCNZYNDHOGGL-YLJYHZDGSA-N 437.500 1.204 0 40 IDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 9632229 YGJTXRXNAFGQRC-FQEVSTJZSA-N 446.481 1.131 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[nH]3)CCC4)CC2=O)c1 9822630 FQLKIAKKHWKZML-AWEZNQCLSA-N 448.483 1.753 0 40 IDAB COc1ccc(OC)c(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)c1 10102642 RDVNVGRVHZYUCD-CYBMUJFWSA-N 429.477 1.084 0 40 IDAB O=C(NC[C@H]1COc2ccccc2O1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12180287 OKMPPGPBZIGTBX-HOCLYGCPSA-N 425.441 1.702 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 15959503 BDRXNLLNSXNAAR-MAHOAKPVSA-N 449.463 1.025 0 40 IDAB Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 19201026 AKUKBCRVANJCDG-KRWDZBQOSA-N 436.516 1.399 0 40 IDAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCOCC3)cc2c1 19519915 PUUDIARHAQSKDZ-XLIONFOSSA-N 440.504 1.514 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3F)C1)C2=O 19699695 ZBJWJDHNXAWSCG-QGZVFWFLSA-N 444.507 1.682 0 40 IDAB CCc1noc(CCC(=O)N2CCC[C@H]2c2ccc(C(=O)N3CCN(C)CC3)cn2)n1 19708687 BBCHXMPXQRBQTN-SFHVURJKSA-N 426.521 1.711 0 40 IDAB O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)N1CCCCCC1 22090248 UOHVCCAROPAURL-UHFFFAOYSA-N 436.578 1.722 0 40 IDAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NN1C(=O)NC2(CCCCC2)C1=O 22792832 MWYWOKDYYQFMIV-JXMROGBWSA-N 425.533 1.603 0 40 IDAB O=c1[nH]c2ccccc2n1C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 23865459 ZTCPWJLHXHTNKP-UHFFFAOYSA-N 443.529 1.587 0 40 IDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 25132368 XDJURQBJWKURHM-QGZVFWFLSA-N 447.513 1.234 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 28197336 HHVGLVIBKKFFLV-LBPRGKRZSA-N 448.339 1.417 0 40 IDAB CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 30873094 GKOOSNAZJHGQQZ-UHFFFAOYSA-N 432.384 1.669 0 40 IDAB COc1ccc(N2C[C@H](C(=O)NCCC(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 32094211 VBJNEYYIDMBRNG-CQSZACIVSA-N 425.441 1.922 0 40 IDAB CNS(=O)(=O)c1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)ccc1C 32502200 UHVXCFJLHQJACD-UHFFFAOYSA-N 425.532 1.616 0 40 IDAB COC(=O)c1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1 39888793 IZPGSKPMBLFKMD-QGZVFWFLSA-N 441.484 1.901 0 40 IDAB CS(=O)(=O)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 40061921 KTINTQAPRYQVCO-FQEVSTJZSA-N 429.542 1.568 0 40 IDAB COc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)cc1OC 49409097 AMVPRLIQOOAZPI-UHFFFAOYSA-N 449.529 1.925 0 40 IDAB COCCNC(=O)Cn1cc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cn1 72309770 WNAOSQFSVWWSCT-UHFFFAOYSA-N 432.500 1.571 0 40 IDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21)Nc1cccc(F)c1 95481497 QBYBDDBHNXSDPH-ZWKOTPCHSA-N 425.376 1.529 0 40 IDAB CCS(=O)(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CCN(C(=O)C(C)(C)C)C3 100235083 ZFIZFQYXJLQSJS-INIZCTEOSA-N 435.550 1.852 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)c2ccccc2O1 225928260 QCJHLTIZAVJKKK-SFHVURJKSA-N 432.498 1.891 0 40 IDAB C[C@@H]1CCCN(C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)Nc2ccccc2S(=O)(=O)N3)C1 253374508 MOJNBVJGCKZROS-WHSLLNHNSA-N 434.562 1.746 0 40 IDAB O=C(CN1CCOCC1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257209769 BRVAOWCHLIKGNN-LSQMVHIFSA-N 445.604 1.133 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)Cn2cccnc2=O)C1 257273112 NFHZOYKDPGMALZ-CQSZACIVSA-N 441.513 1.245 0 40 IDAB Cn1cc(CN2CC3(CN(C(=O)NCc4ccco4)C3)[C@]3(C2)C(=O)Nc2ccccc23)cn1 306133160 MDRVUDKXFBIKBK-DEOSSOPVSA-N 446.511 1.931 0 40 IDAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 409110900 ABDYABCYZNEFLG-UHFFFAOYSA-N 427.504 1.038 0 40 IDAB O=S1(=O)CC[C@@H](N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc3ccccc3c2)C1 575425551 ZSCZRJLGZOKNLN-IAGOWNOFSA-N 443.568 1.205 0 40 IDAB O=C(c1cnn(-c2ccccc2)n1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148472 HHYXAXGPVQMJQH-UHFFFAOYSA-N 436.394 1.698 0 40 IDAB Cc1cc(N2CC[C@@](O)(CNCc3ccc(OCCN4CCOCC4)cc3)C2)ncn1 585274383 VUXLPYAVQUCMSB-HSZRJFAPSA-N 427.549 1.227 0 40 IDAB CC[C@H](Cc1cn(C)c2ccccc12)NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1561810818 ABFZPXXXHADEMG-CQSZACIVSA-N 441.513 1.825 0 40 IDAB Brc1cnc(N2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)nc1 1888913414 UUCKYHNVMXGGEK-CQSZACIVSA-N 445.325 1.884 0 40 IDAB CC(=O)c1cc(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NCC5CC5)n4CC3)C2)n[nH]1 2055793320 OPPUWLNSWBJTFC-NRFANRHFSA-N 425.493 1.212 0 40 IDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 920933 SGDUJYGEFMTPHN-UHFFFAOYSA-N 444.575 1.825 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](n2cnc3c(=S)nc[nH]c32)[C@H](OC(C)=O)[C@H]1N(C)C(C)=S 4972634 ILKLSOUSFFKWLF-DPYKFYPSSA-N 439.519 1.529 0 40 IDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 8987175 AJSNYQBPZNIBTO-KRWDZBQOSA-N 440.481 1.107 0 40 IDAB O=C(CSc1ncc(CO)n1CC(=O)NC1CCCC1)Nc1ccc2c(c1)OCCO2 9827590 YXTPMNVGMCHOIG-UHFFFAOYSA-N 446.529 1.936 0 40 IDAB O=C(CSc1nc(=O)n(CCCO)c2c1CCC2)N1CCN(c2ccccc2)CC1 10256761 RUNMEKQEZNOBFS-UHFFFAOYSA-N 428.558 1.555 0 40 IDAB CCc1cccc(OC[C@@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385159 CWPXLBMMKSXIDF-KRWDZBQOSA-N 441.532 1.662 0 40 IDAB CCCc1nc(SCC(=O)Nc2ccc(OC)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 11758092 NCFUEPLARVVUGD-UHFFFAOYSA-N 429.502 1.719 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 11858362 FUKIOJFVJTVCAV-UHFFFAOYSA-N 440.455 1.291 0 40 IDAB COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)c1 12030633 FBSMYGBPMOGQIH-MRXNPFEDSA-N 439.511 1.917 0 40 IDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)n1CCC(N)=O 12807319 VKJSWPORTMLLFB-CQSZACIVSA-N 431.518 1.421 0 40 IDAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 14291879 NSCGCTHVBMUDGR-UHFFFAOYSA-N 434.470 1.755 0 40 IDAB O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CN1Cc1ccccc1 15324051 QRHBNEWSQKOYMB-GOSISDBHSA-N 445.516 1.707 0 40 IDAB C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16032932 OKERUZQAHHXNIF-NNYLJVSSSA-N 439.899 1.684 0 40 IDAB biogenic CCOC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccn(CC)n3)c(=O)n12 17102253 ROQWYKIZHBRCMY-KTYSRPSASA-N 438.509 1.466 0 40 IDAB CC(=O)Oc1ccc(CN2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1 19023067 JPSLGQNJYOGKFU-LJQANCHMSA-N 446.529 1.350 0 40 IDAB O=C(CN1CCN(C2CCCC2)CC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292013 JUHMHXZETALWGW-LJQANCHMSA-N 427.593 1.846 0 40 IDAB Cc1nc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc2c1CCC(=O)N2CC1CC1 19741516 YPKDQAJYSSHFAM-MRXNPFEDSA-N 444.561 1.776 0 40 IDAB COc1ccc(OCCN2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 23640865 AVLZMFLMPVCTSH-UHFFFAOYSA-N 430.505 1.083 0 40 IDAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SC[C@@H]1CN(Cc2ccccc2)CCO1 23805280 TYNIQAMBSVHNCV-ROUUACIJSA-N 436.603 1.785 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F)C(=O)OC 36569398 FTOXAXKTNVVVJE-VQIMIIECSA-N 448.451 1.709 0 40 IDAB NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)CCn2nnc3ccccc3c2=O)C1 58434441 GGIINGMMZOZTDC-KRWDZBQOSA-N 434.500 1.518 0 40 IDAB CCOc1ccccc1[C@@H]1NC(=O)NC(CN2CCC3(CC2)OCCO3)=C1C(=O)OC 67287862 OQLPQJLRVANICE-IBGZPJMESA-N 431.489 1.705 0 40 IDAB C[C@@H](C(=O)NCCc1ccccc1F)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326366 PPHVNMZMDSFLHS-NPMXOYFQSA-N 439.491 1.832 0 40 IDAB C[C@@](O)(CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1cccs1 77200989 JZYLGDZRQHJDHW-QGZVFWFLSA-N 430.573 1.864 0 40 IDAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 84637078 JSDDLXGXAQHGDV-FOIQADDNSA-N 433.530 1.413 0 40 IDAB CON(C)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2Cn2ccnn2)ccc1Cl 95456745 MMRRMFSTVSFPDQ-CQSZACIVSA-N 427.914 1.808 0 40 IDAB O=C(COc1ccc(NS(=O)(=O)CCOc2ccccc2F)cc1)N1CCOCC1 96191829 STLVSNWNOJPQTA-UHFFFAOYSA-N 438.477 1.884 0 40 IDAB COC(=O)CN1CC2(CCN(C(=O)CC(C)C)CC2)COc2ccccc2S1(=O)=O 96263565 WCPSNTJVYWFHRI-UHFFFAOYSA-N 438.546 1.898 0 40 IDAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1 96374424 VCLHXHPEIYLJFR-UHFFFAOYSA-N 430.592 1.725 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2CCS[C@H](c3ccccc3Cl)CC2)n(C)c1=O 206993547 RTCMOMPCKGYBSA-HNNXBMFYSA-N 447.948 1.794 0 40 IDAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCCn1cnc2ccsc2c1=O 225773406 BDFDISFIBFOAKK-NSHDSACASA-N 429.527 1.357 0 40 IDAB Cc1nn(C)cc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 257217406 CYUFRYSJQSCVRQ-UGKGYDQZSA-N 439.560 1.802 0 40 IDAB COC(=O)[C@H](OCC(=O)OCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 263583546 JENGVTGGMANBDH-FQEVSTJZSA-N 430.409 1.575 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OCC)c(C)c2)CC1 408626999 XCYNWCYFHGCCFL-OAHLLOKOSA-N 427.523 1.361 0 40 IDAB COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4cc5c(nn4)CCC5)CC3)cn2)cc1 575619275 JIPTYPFDHYFHCS-UHFFFAOYSA-N 446.511 1.546 0 40 IDAB Cc1ccc(S(=O)(=O)N2Cc3ccnn3C[C@@H](CNC(=O)c3cscn3)C2)cc1 585098986 XZKJKBMLJJMANM-HNNXBMFYSA-N 431.543 1.899 0 40 IDAB Cc1cnc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2c(C)nc4ccccn24)CCO3)nc1 585102215 QHLFDHSBMKOGID-CVDCTZTESA-N 436.516 1.417 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cnn1-c1ccc(Cl)cc1 608020134 LYSOUDHHSYFNBG-AWEZNQCLSA-N 432.955 1.536 0 40 IDAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)N3CCN(CCO)CC3)ccc21 643584223 JAVAWRJPLDOVEE-UHFFFAOYSA-N 446.592 1.470 0 40 IDAB O=C(c1cccc(F)c1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243235 UJKGIUZPKWKAGJ-KRWDZBQOSA-N 429.473 1.884 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccco2)c(C)c1 3017177 DNEKKFGTLOUOPM-SFHVURJKSA-N 449.529 1.375 0 40 IDAB CCC(=O)N(c1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)s1)C1CC1 8898208 OGNYWBKLUMIKNE-UHFFFAOYSA-N 436.519 1.186 0 40 IDAB O=S(=O)(c1cccc(Br)c1)N1CCN(c2nnnn2-c2ccccc2)CC1 9126202 UEIMPMNAFHCCGV-UHFFFAOYSA-N 449.334 1.936 0 40 IDAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1 9347361 NFADPFKZTIXVHS-UHFFFAOYSA-N 425.513 1.990 0 40 IDAB O=C(NC[C@@H]1COc2ccccc2O1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9568814 OKMPPGPBZIGTBX-GDBMZVCRSA-N 425.441 1.702 0 40 IDAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O 9577968 BFECRIYKRQBFPO-UHFFFAOYSA-N 436.428 1.577 0 40 IDAB CN1C[C@@H](C(=O)N2CCC(c3nc(-c4ccccn4)ncc3S(C)(=O)=O)CC2)CC1=O 12133089 NMZTWBYYVDTTLF-HNNXBMFYSA-N 443.529 1.126 0 40 IDAB CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 12231152 QDHZMDQCALFBPG-UHFFFAOYSA-N 444.495 1.966 0 40 IDAB COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1C)c(=O)n2C 12445920 GGZZZIAGHOSICJ-UHFFFAOYSA-N 440.431 1.845 0 40 IDAB O=C(OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)c1n[nH]c2ccccc12 12530901 MNSKSDNHHANXGV-INIZCTEOSA-N 427.482 1.936 0 40 IDAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 13014849 RTKGRIJZKILZKV-UHFFFAOYSA-N 445.472 1.626 0 40 IDAB COc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCOCC1 13519142 XIYGEQSMGANKFY-SFHVURJKSA-N 434.470 1.495 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1C 14069577 BAWHWPPPTMFRGG-QGZVFWFLSA-N 428.576 1.188 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)Cn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c1C 15573671 MAPXQBGDENCSMW-UHFFFAOYSA-N 438.506 1.135 0 40 IDAB CCc1ccc2c(c1)[C@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15959173 WZMLRSVHAXQUKU-HFGJUZKKSA-N 433.508 1.593 0 40 IDAB biogenic COc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc(NC(C)=O)cc4)cnc32)cc1 16890481 AEBYVDDWLVPYQB-UHFFFAOYSA-N 433.428 1.583 0 40 IDAB CC(C)c1cn(CC(=O)N2CCO[C@@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)nn1 19453420 CQSGMMBEOUHPEK-XMMPIXPASA-N 448.527 1.789 0 40 IDAB O=C(NCC(=O)N1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 23127882 QGWKJRBMXPJLLA-IBGZPJMESA-N 425.441 1.113 0 40 IDAB Cc1cc(NC(=O)CSCC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)no1 23528333 AHLUTCKSOHHSRC-LBPRGKRZSA-N 426.495 1.745 0 40 IDAB O=C(COc1ccc(Br)cc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 31388082 OAMWYIMMPSUQDK-UHFFFAOYSA-N 432.340 1.313 0 40 IDAB O=C(OCc1cc(Cl)cc2c1OCOC2)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 32669953 KZSWDKMKAQRYOM-AWEZNQCLSA-N 442.877 1.415 0 40 IDAB CCOC(=O)C1=C(CN2C[C@H](C(=O)NC)Oc3ccccc32)NC(=O)N[C@@H]1c1ccco1 32764733 JQQFAYJWMQQASX-IEBWSBKVSA-N 440.456 1.464 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 56936152 QMUPZALMXIOPTP-QGZVFWFLSA-N 442.545 1.698 0 40 IDAB CN(Cc1nnc2ccccn12)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 58225158 QOABNXAJQJNHJF-UHFFFAOYSA-N 428.499 1.613 0 40 IDAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCSC[C@H]2S(C)(=O)=O)C1 79093191 JYLUCTRBZZCZHR-HZPDHXFCSA-N 425.532 1.131 0 40 IDAB CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)nn1 96011872 HQOTXAXWEUEWQX-IBGZPJMESA-N 432.484 1.956 0 40 IDAB CC[C@@H](C(=O)NCCN1CCOCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220750792 PPABGWUCRGRMAU-INIZCTEOSA-N 433.958 1.342 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)c1 223021462 MRFIKEKBWUFPCC-UHFFFAOYSA-N 433.533 1.075 0 40 IDAB CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)C2(Cc3ccccc3)CCOCC2)cc1 257238938 HNENWZHHQMJECD-UHFFFAOYSA-N 437.539 1.935 0 40 IDAB O=C1CN([C@@H]2CCC[C@@H](NC(=O)CCCc3nc4cc(Cl)ccc4[nH]3)[C@H]2O)CCN1 257256334 KKZOMRWTHSDHOY-QLVMHMETSA-N 433.940 1.369 0 40 IDAB CC(C)CN(C(=O)CN1CCN(CC(=O)N(CC(C)C)C(C)C)CC(O)C1)C(C)C 536732824 JIRHOZNOXVDKPD-UHFFFAOYSA-N 426.646 1.751 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(Cc3ccccc3)CC2)C1 585289457 GWUZZUQJRILKST-PKTZIBPZSA-N 430.570 1.738 0 40 IDAB COCCC(=O)N1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1 1615525582 IGRJLGBOTLIWEO-QHCPKHFHSA-N 429.517 1.517 0 40 IDAB Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCCCN(C)C)cc2c1 6408152 IBRPFMHTQSPKQG-UHFFFAOYSA-N 445.633 1.797 0 40 IDAB CCSc1nnc(C)c(=O)n1COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8860127 ISBFJAZTRFHCPT-UHFFFAOYSA-N 438.531 1.658 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 9245609 IPNGKNNXPXEUDT-LJQANCHMSA-N 445.541 1.601 0 40 IDAB O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1cccnc1 9423801 FVBNWUDQHKPQRW-UHFFFAOYSA-N 436.921 1.891 0 40 IDAB C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)Cc2ccccc2C(=O)O1 9492810 HQJLMIMWDTYDOR-NRFANRHFSA-N 430.482 1.818 0 40 IDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 9513499 ZYGFPTYAJAVNNF-CQSZACIVSA-N 435.340 1.821 0 40 IDAB O=C(CCCNS(=O)(=O)c1ccc(F)cc1F)N1CCN(c2ncccn2)CC1 9671604 NGODOCZZYRSFIN-UHFFFAOYSA-N 425.461 1.162 0 40 IDAB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1[C@@H]1CCS(=O)(=O)C1 9952416 NAPBNODFUIMMLA-CABCVRRESA-N 439.563 1.605 0 40 IDAB CCCCN(C(=O)CSc1nnc(NCC)s1)c1c(N)n(CCC)c(=O)[nH]c1=O 10344516 SHUVPCJUTHUJEF-UHFFFAOYSA-N 441.583 1.738 0 40 IDAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)N[C@H]3CCS(=O)(=O)C3)cs2)cc1 11866156 GCKWDXNVCSESSO-LBPRGKRZSA-N 429.545 1.098 0 40 IDAB COC[C@H](C)N1C[C@H](C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)CC1=O 12220755 QPGROECNBSWTEC-MAUKXSAKSA-N 438.528 1.923 0 40 IDAB O=C(Cn1c(=O)c2sccc2n(CC(=O)NC2CCCC2)c1=O)NCc1cccs1 13607058 XZEHEKWQKDSPFR-UHFFFAOYSA-N 446.554 1.661 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O[C@@H](C)C(=O)N2CCOCC2)cc1 14167697 DCFHHEPVRAMMQU-WMZOPIPTSA-N 426.535 1.479 0 40 IDAB NS(=O)(=O)c1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)sc2c1 15941477 VORBHHCKNCFZMS-UHFFFAOYSA-N 429.476 1.495 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 19520403 ICAYEJAKJPPIQL-SFHVURJKSA-N 448.520 1.984 0 40 IDAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(OC)c(OC)cc1-n1cnnn1 19520836 WMBUPHUKBHNPIK-OAHLLOKOSA-N 449.471 1.598 0 40 IDAB COc1cc(CN2CCc3[nH]c(N4CCOCC4)nc(=O)c3CC2)ccc1OC(F)F 19550110 AERLIHYCVZCMBJ-UHFFFAOYSA-N 436.459 1.817 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN4S(C)(=O)=O)ccc21 19819413 MGYDDOSHDYUBMC-UHFFFAOYSA-N 435.527 1.719 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1C 22066738 WNKDDHCPPRRPCN-INIZCTEOSA-N 446.481 1.919 0 40 IDAB COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1S(=O)(=O)N(C)C 23322177 GGAVSKMLBBVNMF-QEJZJMRPSA-N 435.502 1.224 0 40 IDAB COc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1OC 24136968 PEEISZUKDRIOQU-UHFFFAOYSA-N 439.512 1.713 0 40 IDAB C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 25063145 KTIUHVUBERCLPZ-ZBFHGGJFSA-N 431.514 1.552 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1OC 26111917 DTCOZBZFCSCDHG-CQSZACIVSA-N 447.513 1.764 0 40 IDAB CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 27914586 FWPKHYDJTDJBNW-UHFFFAOYSA-N 433.486 1.644 0 40 IDAB Cc1ccc(OCC(=O)O[C@H](CN2CCOCC2)CN2C(=O)c3ccccc3C2=O)cc1 28293207 UVDMPAYAIKZEGX-LJQANCHMSA-N 438.480 1.914 0 40 IDAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1cccc(C(N)=O)c1)C2=O 58331451 XMNZPRRBYJVRMA-UHFFFAOYSA-N 428.533 1.971 0 40 IDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177437 MDVWKVBVAIPMJA-ZDUSSCGKSA-N 429.477 1.991 0 40 IDAB Cc1nc(CN2CCN(C(=O)[C@@H]3CCN(c4cccc(Br)c4)C3=O)CC2)n[nH]1 78823354 LQWJTPOKNHLIDQ-INIZCTEOSA-N 447.337 1.573 0 40 IDAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cc1NC(=O)N[C@H]1CCC[C@@H]1C(N)=O 78947526 WAPZNVFUDKASKT-JONQDZQNSA-N 430.509 1.546 0 40 IDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 96222625 JOFDLDCIVLRMLK-KRWDZBQOSA-N 425.441 1.593 0 40 IDAB biogenic O=C(NC[C@@H]1CCCO1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 96243805 GAOMFXMGXQWKBP-ROUUACIJSA-N 431.537 1.520 0 40 IDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 101224275 XBOKQNSWCGYWGW-MUGJNUQGSA-N 442.493 1.800 0 40 IDAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5cccnc5)[C@H]34)[C@@H]2C1=O 102026697 MLQZGIPLWFHGLW-IOTBGGRNSA-N 443.506 1.389 0 40 IDAB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 219972868 CNQJRBGAWDDDFY-UHFFFAOYSA-N 442.497 1.829 0 40 IDAB COc1ccc(NC(C)=O)c(NC(=O)CN2C[C@H](O)[C@@H](N(C)Cc3ccc(F)cc3)C2)c1 257216330 CUBSOPLLZCOFAY-VXKWHMMOSA-N 444.507 1.908 0 40 IDAB Cc1ccccc1-c1cccc(C[C@@H]2C(=O)N(C)CCN2C(=O)[C@@H]2CCC(=O)NC(=O)N2)c1 257219371 DGOFRBJUXFHWRD-LEWJYISDSA-N 448.523 1.862 0 40 IDAB CCOc1ccc(Cc2cccc([C@@H]3CN(C(=O)CN4CCNC(=O)C4)CCO3)n2)cc1 257271159 MXCHMPXSYNJREZ-QFIPXVFZSA-N 438.528 1.403 0 40 IDAB Cc1c(C)[n+]([O-])c([C@H](c2ccc(Cl)cc2Cl)C2C(=O)NC(=O)NC2=O)n1CCO 524733539 UYZDIQOOVKVBOW-CYBMUJFWSA-N 441.271 1.152 0 40 IDAB COc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)n[nH]1 575611402 WZYUNNZVAULAHQ-UHFFFAOYSA-N 431.460 1.418 0 40 IDAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CN2CCN(c3ccccn3)CC2)[C@@H](O)C1 585283053 BAAYHBSTRQLTFF-UGKGYDQZSA-N 430.936 1.495 0 40 IDAB Nc1ncnc2c1ncn2CCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1654656599 XAJXKOYIMUYNPN-UHFFFAOYSA-N 443.533 1.403 0 40 IDAB COc1ccccc1S(=O)(=O)N[C@@H]1CO[C@]2(CCCN(c3ncnc4[nH]cnc34)C2)C1 2056225715 ZNWARMZCLKVRNM-VBKZILBWSA-N 444.517 1.468 0 40 IDAB Cc1ccc(C(=O)COC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 1837851 PSYXXVJJAPMZAQ-SFHVURJKSA-N 443.477 1.820 0 40 IDAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1 4073531 MJHRPAQWCSJRNN-HOTGVXAUSA-N 425.526 1.850 0 40 IDAB biogenic O=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)NCc1ccccc1 4327546 IUOAUWQXPCOGCH-UHFFFAOYSA-N 427.501 1.888 0 40 IDAB CN(C)CCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21 11613401 HXWVEKUYZBUXLI-AWEZNQCLSA-N 432.937 1.950 0 40 IDAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)c(OC)c1 12030640 GOKJLTPDCSXWGY-INIZCTEOSA-N 439.511 1.917 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)N3C[C@H](C)O[C@H](C)C3)CC1)O2 12087100 BDYPNKHNYDPXPL-PXAQALGRSA-N 445.516 1.205 0 40 IDAB Cc1nc(C)n(CCC(=O)N2CCC[C@@]3(C2)CN(S(C)(=O)=O)Cc2ccccc2O3)n1 12087185 LDLHFJYOMAJVTN-OAQYLSRUSA-N 447.561 1.500 0 40 IDAB CN1C[C@H](C(=O)N2CCC(c3nc(-c4ccccn4)ncc3S(C)(=O)=O)CC2)CC1=O 12133102 NMZTWBYYVDTTLF-OAHLLOKOSA-N 443.529 1.126 0 40 IDAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCN(CC(N)=O)CC3)c2)cc1 12557288 OXYFKXCFBUNGIJ-UHFFFAOYSA-N 444.557 1.784 0 40 IDAB O=S(=O)(Cc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12716583 PSPSGWTVNJTKLA-UHFFFAOYSA-N 425.484 1.410 0 40 IDAB CCn1c(=O)n(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21 12756621 BQJRVYJIYGZCHS-UHFFFAOYSA-N 442.541 1.746 0 40 IDAB CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 13001975 OUQPAWMZAQJBGL-QMMMGPOBSA-N 429.451 1.078 0 40 IDAB C/C=C/C=C/C=C/C(=O)N[C@H]1CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O 13373837 JBIZFCHJQXSVKL-OYWXRWKXSA-N 432.565 1.400 0 40 IDAB biogenic Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)NCCc1cccs1 13729290 OYULNAQRMICXSV-ZDUSSCGKSA-N 428.557 1.890 0 40 IDAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14750310 ZNYMEIPISPPPKO-JKSUJKDBSA-N 441.509 1.804 0 40 IDAB CSCC[C@H](NC(=O)c1cccc(C(=O)N[C@H](CCSC)C(=O)O)c1)C(=O)O 16248644 AXBUJFLHFQYCHL-OKILXGFUSA-N 428.532 1.559 0 40 IDAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19239456 QCJXTQCSSSDMIU-OALUTQOASA-N 437.500 1.514 0 40 IDAB COc1ccc(-n2c(=O)[nH]c(O)c([C@H]3NCCc4c3[nH]c3ccc(OC)cc43)c2=O)cc1 20610564 VRXZSLIWMTWQDR-HXUWFJFHSA-N 434.452 1.965 0 40 IDAB biogenic CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccc(OC)cc1 20636937 AHZGAOYLXUFXBJ-DLBZAZTESA-N 432.477 1.176 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1 23702972 ZGGSERURGPZHCD-UHFFFAOYSA-N 433.530 1.472 0 40 IDAB O=C(Nc1ccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1)NC1CC1 24780032 NHSBEVLIKWVNAI-UHFFFAOYSA-N 432.488 1.909 0 40 IDAB O=C(NCC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(-c2ccccc2)cc1 35361550 ADSZLLDJDCBFSR-UHFFFAOYSA-N 434.540 1.850 0 40 IDAB Cc1nc(CNC(=O)[C@H]2[C@@H](C(=O)NCc3ccncc3)[C@@]2(C)C(=O)c2ccccc2N)no1 57774630 KZEDHZBPQSDKAL-YCRNBWNJSA-N 448.483 1.423 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(-n3cccn3)c(F)c2)C[C@H](C)O1 69459986 MMEYEVSWPHQXTG-KBPBESRZSA-N 425.486 1.572 0 40 IDAB CN(C)CCCNS(=O)(=O)c1ccsc1C(=O)NCCNC(=O)C1CCCC1 72289559 DXQWASRKAAYCBI-UHFFFAOYSA-N 430.596 1.014 0 40 IDAB COc1ccc(COC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 83947370 CBNPMLAVQJIFJW-MRXNPFEDSA-N 439.511 1.518 0 40 IDAB Cc1cccc(CN2CCC3(CC2)O[C@@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)n1 96243773 CTOXFXLGOFBJQT-VQTJNVASSA-N 425.533 1.772 0 40 IDAB COc1ccc(N2C(=O)C[C@H](N3CCC4(CC3)C(=O)NCN4c3ccccc3)C2=O)cc1 100173447 MXWLKACSKXUUQK-FQEVSTJZSA-N 434.496 1.756 0 40 IDAB CCOC(=O)C1=NO[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12 100923503 XEXNGJCOOMWSDJ-MWLCHTKSSA-N 434.758 1.469 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 101431706 PYXZXWLFAMZVPY-NFOTXUCKSA-N 447.231 1.457 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)CC1 102266995 DWMQMLXNAFULTH-ZOBUZTSGSA-N 437.587 1.827 0 40 IDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 105352135 OPNZIEVNEBUACP-HJOKXZNTSA-N 436.306 1.349 0 40 IDAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC[Si](C)(C)c2ccccc2)cc1 195567541 IXPOOSCMLCYTJV-UHFFFAOYSA-N 441.647 1.933 0 40 IDAB CCN1C(=O)COc2cc(S(=O)(=O)Nc3cc4c(cc3OC)n(C)c(=O)n4C)ccc21 252509977 YZKIHTRMHWWKBQ-UHFFFAOYSA-N 446.485 1.432 0 40 IDAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3)N2C(=O)COCCN2CCCC2=O)N1 257236607 HCYSRPXPGHEZHO-QHAWAJNXSA-N 427.545 1.896 0 40 IDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)C1 260507351 KGECJGXBPCWSOA-ZDUSSCGKSA-N 438.506 1.432 0 40 IDAB COCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)cc2Br)C1=O 409201525 OAIFHVCSGIKRMU-MLPAPPSSSA-N 445.291 1.962 0 40 IDAB COc1cc([C@@H](CC(=O)NCC(=O)NCC(C)C)c2oc(C)cc(=O)c2O)ccc1O 524729169 GWUHZAOLUQLLMO-OAHLLOKOSA-N 432.473 1.778 0 40 IDAB biogenic COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 531205070 JBXNXKLVWMNMPV-QGZVFWFLSA-N 447.444 1.701 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(C(=O)c5sc(C)nc5C)C[C@H]4C3)ncnc21 1888916650 BIVHXKQVWNLLJS-HUUCEWRRSA-N 427.534 1.754 0 40 IDAB CC(=O)N1CCCN(CC(C)C)CCN(C(=O)CNS(C)(=O)=O)Cc2ccccc21 2037915941 CNHUXJAGPFPMAS-UHFFFAOYSA-N 438.594 1.279 0 40 IDAB CCC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1363451 XOBUFTNJBQBDLD-OAHLLOKOSA-N 445.607 1.642 0 40 IDAB COc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCCC(C)C 3282253 BFDBWCFMDXJIDG-UHFFFAOYSA-N 433.461 1.139 0 40 IDAB COc1ccc(CNC(=O)CN(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1 6973598 HDOHHFZYWMLMMR-UHFFFAOYSA-N 439.497 1.796 0 40 IDAB O=C1C[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)CN1c1ccc2c(c1)OCO2 9037398 HQYYXXAIRAQTIB-ZDUSSCGKSA-N 432.454 1.518 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)COC(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O 9579757 PTCXOARXAZKGOH-UHFFFAOYSA-N 446.504 1.774 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1C 13990349 FWXCGYQKBVNCPV-GFCCVEGCSA-N 437.294 1.253 0 40 IDAB O=C(C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1)N1CCOCC1 20105241 KIOICPGRVXXNIB-UHFFFAOYSA-N 431.352 1.850 0 40 IDAB CC(C)N(CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 22623454 LVQDMOOCCSIFOR-SFHVURJKSA-N 439.578 1.846 0 40 IDAB O=C(NCCCN1CCOCC1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 22628388 FYUNXUCICLZYIL-UHFFFAOYSA-N 440.544 1.675 0 40 IDAB CCCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CCN1CCOCC1)c(=O)n2C 22768316 YEUYVJFIGGYDSD-UHFFFAOYSA-N 443.552 1.140 0 40 IDAB C[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)CC1 22916908 VBEWWWCEQXBAIN-OALUTQOASA-N 441.576 1.769 0 40 IDAB O=C(CCn1ccnc1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 23805847 CPWVITDYAJZUPJ-UHFFFAOYSA-N 426.546 1.794 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1CCN(S(N)(=O)=O)CC1 24650499 QFVRXXRZTVCVAW-UHFFFAOYSA-N 447.355 1.070 0 40 IDAB CN(C(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1C(=O)NCc1ccco1 36988231 ACOVMOSHJQCIOG-UHFFFAOYSA-N 434.500 1.785 0 40 IDAB COc1cccc(CNC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)c1 49409300 GKXRKZLXFVIYAN-UHFFFAOYSA-N 433.530 1.738 0 40 IDAB CN1C(=O)CO[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@@H]1c1ccc(Cl)cc1 72241359 NYUVNWMAWSUDGE-OALUTQOASA-N 431.876 1.816 0 40 IDAB CC[C@H](SC)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 89941912 BGSFDKHCPKRCJC-HNNXBMFYSA-N 446.547 1.339 0 40 IDAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222958835 KEKPAOSZNSTOCQ-SFHVURJKSA-N 443.525 1.775 0 40 IDAB CN1CCO[C@](Cc2ccccc2)(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C(N)=O)C1 257328201 XEPIHPWCMGZVPW-DHLKQENFSA-N 436.556 1.128 0 40 IDAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1ccc(C)n(C)c1=O)O[C@@H](C(C)C)C(=O)N2 585280922 CTGZQJLEPWBOEP-KRWDZBQOSA-N 433.486 1.476 0 40 IDAB CC(C)CC(=O)N1CCN(Cc2ccccc2F)CCCCOC[C@@H](O)[C@H](O)[C@@H](O)C1 643586485 GZIDRPYIJCPJLS-QZNHQXDQSA-N 440.556 1.396 0 40 IDAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nnnn2C)cc1 2663836 ZBGKUKOPZBSTFB-UHFFFAOYSA-N 426.502 1.922 0 40 IDAB COCCCN(C(=O)c1cccc(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9955427 CETSFMSGHWWGTC-UHFFFAOYSA-N 426.448 1.990 0 40 IDAB CNC(=O)[C@@H]1CN(C(=O)COC(=O)c2nn(-c3ccccc3)nc2C)c2ccccc2O1 10377941 HDTVXZVMPLCELD-SFHVURJKSA-N 435.440 1.273 0 40 IDAB CC1CCN(C(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 10934975 SLOSOBKNSFHBIR-UHFFFAOYSA-N 428.482 1.262 0 40 IDAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 11906388 CMGDVSBFBYIYMU-UHFFFAOYSA-N 438.483 1.634 0 40 IDAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 12183842 SOURDNRWDKTADN-INIZCTEOSA-N 443.552 1.334 0 40 IDAB 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1.581 0 40 IDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)c(Cl)c1 408598083 ZMGMDMQKWFBEBK-UHFFFAOYSA-N 447.985 1.492 0 40 IDAB CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)CC1 585282642 MADNATNVFKQIGP-PXNSSMCTSA-N 432.439 1.901 0 40 IDAB O=c1cc2c(nn1CC1CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC1)CCCC2 585500442 JPDLZEUOWJSMHY-UHFFFAOYSA-N 445.541 1.994 0 40 IDAB Cc1cc(F)ccc1CC(=O)NC[C@H]1OC[C@@H](n2ccc(O)nc2=O)[C@@H]2OC(C)(C)O[C@@H]21 2037977801 KKAFZNSKSIGTTA-YAJHFMINSA-N 447.463 1.215 0 40 IDAB COc1cc(S(=O)(=O)N(Cc2ccccn2)C[C@H]2CCCO2)ccc1-n1cnnn1 934252 ANBYRGOHZWVNRQ-MRXNPFEDSA-N 430.490 1.436 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](n2c(Br)nc3c(N)ncnc32)[C@H]2OC(C)(C)O[C@H]21 4823704 SPIGLDZVEURWTD-ZRPKBAQZSA-N 428.243 1.152 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)COc2cccc(C)c2)CC1 9570167 NHAXMPFAMCZOPQ-UHFFFAOYSA-N 447.557 1.651 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 9587391 UTEWTVCTMNADCR-UHFFFAOYSA-N 437.543 1.974 0 40 IDAB 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IDAB CCN(C(=O)Cn1ccc(C(F)(F)F)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9467779 YINJWWIVWPTEGR-UHFFFAOYSA-N 436.394 1.436 0 40 IDAB COCCn1cnc2c1c(=O)n(Cc1ccc(C(=O)OC)cc1)c(=O)n2Cc1ccccc1 9540567 YKRBFPUCXIEHTI-UHFFFAOYSA-N 448.479 1.889 0 40 IDAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nnc1N1CCOCC1 9729363 COULEMJASMHCTE-AWEZNQCLSA-N 430.534 1.991 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2Cc3ccccc3O2)sc(C(N)=O)c1C 10617937 SREYKRCHXOGKNA-ZDUSSCGKSA-N 432.454 1.818 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(N(C)C)cc1 11906343 RRTVHFCVSFXNRT-UHFFFAOYSA-N 439.515 1.629 0 40 IDAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCC(C)CC3)[nH]c2=O)cc1 12033200 JPHHYQIYXBAWBA-UHFFFAOYSA-N 431.518 1.964 0 40 IDAB CCCN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12893764 XDGVZGLPGLIKBG-GOSISDBHSA-N 448.479 1.692 0 40 IDAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(OC)cc1 12909215 ZWVXJTOCLVUJRT-IBGZPJMESA-N 431.514 1.697 0 40 IDAB COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 13072081 RQHNBRROVFGWBC-UHFFFAOYSA-N 446.525 1.932 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2C[C@H](C(N)=O)Oc3ccccc32)c1 13095263 KKMOSANIQMOSBO-LJQANCHMSA-N 446.529 1.409 0 40 IDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](Cc1ccccc1)n1cnnn1 13164254 RBYOKCPUBXHGLD-LJQANCHMSA-N 442.501 1.117 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H](O)c3ccccc3)C2)cc1 13626470 WKAPESNSXAEIAF-GHTZIAJQSA-N 445.541 1.896 0 40 IDAB CCCCCNC(=O)CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13720079 OCWRBYLUPDYEBB-UHFFFAOYSA-N 425.493 1.605 0 40 IDAB COc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c(=O)n2C 15880289 HBLAWDYMBKGDAX-UHFFFAOYSA-N 438.362 1.950 0 40 IDAB COc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1S(=O)(=O)N1CCOCC1 16965732 HDZDHRBICLFFLS-UHFFFAOYSA-N 440.547 1.872 0 40 IDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 19577819 DUIKWYGURGTCHD-UHFFFAOYSA-N 425.489 1.901 0 40 IDAB CNC(=O)c1ccc(-c2ccc(CNC(=O)c3cnc(N4CCOCC4)nc3)cc2)nc1C 19700573 PGHBUPSKWZXAQV-UHFFFAOYSA-N 446.511 1.973 0 40 IDAB CN(CCO)C(=O)c1cc([C@H]2CN(C(=O)CN3CCCCC3)CCO2)nc2ccccc12 19759412 WTHSWKHSNAKMFV-JOCHJYFZSA-N 440.544 1.685 0 40 IDAB COc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CCN(C)CC2)cc1 22795226 SVXNBNUNONSTQS-NRFANRHFSA-N 428.508 1.555 0 40 IDAB C[C@H]1CC(=O)c2cnc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2C1 22927901 LCKBIOSBTNXEBZ-OAHLLOKOSA-N 437.500 1.727 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c1C 31451710 QFEUQNQOWHNCTK-UHFFFAOYSA-N 438.362 1.728 0 40 IDAB O=C(NCCC(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccccc1 32788128 BTGGBWYXEADVFH-FQEVSTJZSA-N 438.484 1.851 0 40 IDAB CCNC(=O)COc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2Cl)c1 32937359 XWFMPYMAPHZYGU-UHFFFAOYSA-N 446.891 1.340 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)cc1 32957413 RILHPKUARMVEMK-HNNXBMFYSA-N 439.534 1.456 0 40 IDAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 39986687 VYUZNPCSKCTWGB-UHFFFAOYSA-N 427.504 1.040 0 40 IDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCC(=O)N1CCN(C)CC1 58304846 VMDVZUDCEUKQBH-UHFFFAOYSA-N 440.342 1.159 0 40 IDAB CN(C)C(=O)CN1C(=O)CO[C@H](c2ccc(NC(=O)NCc3ccccc3)cc2)[C@H]1CO 72321291 NQFCADFQTHWSDG-DENIHFKCSA-N 440.500 1.357 0 40 IDAB biogenic,in-vitro O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177433 MDVWKVBVAIPMJA-CYBMUJFWSA-N 429.477 1.991 0 40 IDAB CCN(CC)C(=O)CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 89967624 MEYQMXSQRUGTKE-UHFFFAOYSA-N 430.958 1.143 0 40 IDAB Cc1cc(C(=O)NC[C@@H]2COC3(CCOCC3)O2)ccc1NS(=O)(=O)C(F)(F)F 95992249 FNXVTQYZKHXJCD-CYBMUJFWSA-N 438.424 1.908 0 40 IDAB CCCCN(CC)C(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2 96147564 FNBSYXCOTBSTIH-UHFFFAOYSA-N 447.561 1.727 0 40 IDAB Cc1ccccc1NC(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccncc1)S3(=O)=O)O2 96264014 YRDSSVSEJWWVFX-LMNJBCLMSA-N 428.514 1.979 0 40 IDAB CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)CN2CCOCC2)CC1 100205051 ZZZZDTUMTAIRNB-KDURUIRLSA-N 431.581 1.989 0 40 IDAB O=C(CN1C(=O)S[C@@H]([C@@H]2SC(=O)NC2=O)C1=O)Nc1ccc(Br)cc1 101375843 VAWQRNIHYBHHGU-UWVGGRQHSA-N 444.288 1.803 0 40 IDAB O=C(O)c1[nH]c(=O)n(-c2ccc(I)cc2)c(=O)c1CN1CCCC1 222666296 WMDGDXHFXHVXSU-UHFFFAOYSA-N 441.225 1.424 0 40 IDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CC[C@@]2(c3ccc(F)cc3)NC(=O)NC2=O)[C@H]1O 257294778 QVRFDIGDPDZAOW-PZPFTHLGSA-N 429.452 1.026 0 40 IDAB CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)CC1 408557300 GJWBVGOUPHUOFC-MRXNPFEDSA-N 425.551 1.269 0 40 IDAB CC(C)COC(=O)N[C@@H](CC(N)=O)C(=O)OCC(=O)c1ccc(Br)cc1 408997191 CJEQBANTSTYKPO-ZDUSSCGKSA-N 429.267 1.801 0 40 IDAB NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 504537427 AQTXQMDMTDVYHA-FCQWJQKHSA-N 438.871 1.531 0 40 IDAB biogenic CC(C)N1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3ccccc3C(=O)N2)CC[C@@H]1O 514287508 HHVBHHRQGGSTAS-HKWIXDGRSA-N 431.533 1.075 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575422095 MEOAWNKAIDYAJI-HOTGVXAUSA-N 426.516 1.374 0 40 IDAB COc1ccc(CNC[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)cc1OC 585291823 TWIUAQSTXWUSNL-IRLDBZIGSA-N 434.920 1.624 0 40 IDAB CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)n1 605705150 UZIYFTYFXOXGFI-LBPRGKRZSA-N 436.494 1.256 0 40 IDAB COc1ccc(-c2ncnc(N3CCN(C(=O)c4cnc(O)n(C)c4=O)CC3)c2F)cc1 1775974764 OXGBKQGGWDXSIP-UHFFFAOYSA-N 440.435 1.053 0 40 IDAB COCCOC(=O)N[C@@H]1CO[C@@]2(CCCN(Cc3ccnc(N4CCOCC4)c3)C2)C1 2056226267 OAJWGYPNJHEMCP-UGKGYDQZSA-N 434.537 1.414 0 40 IDAB COc1ccccc1N1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1 1462425 UWLKMYGMJGFIAW-UHFFFAOYSA-N 429.498 1.579 0 40 IDAB O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 8709339 BBSFZOVCXMTUFR-HNNXBMFYSA-N 435.575 1.653 0 40 IDAB CC[C@H](CO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl 8926308 ADKZLPSUQMFQGQ-SNVBAGLBSA-N 426.304 1.972 0 40 IDAB CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc4ccccc4c3)c2c1 8944854 AVEWNSHPSKJEIZ-UHFFFAOYSA-N 425.470 1.902 0 40 IDAB CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc2c(cc1Br)OCO2 9130679 RZCYEUPGBMWDRH-UHFFFAOYSA-N 439.291 1.695 0 40 IDAB Cn1nc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc2c1=O 9417211 KXXBORPAQNSINT-IBGZPJMESA-N 434.452 1.200 0 40 IDAB Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(-c3ccccc3F)nc2n(C)c1=O 9517585 OVLHSZPPEZGQSW-UHFFFAOYSA-N 429.477 1.548 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(C)cc2)cc1 9806554 VEDWIOJDXOGUQM-QGZVFWFLSA-N 431.514 1.912 0 40 IDAB O=C(CSc1ncc(CO)n1CC(=O)NC1CCCC1)NCc1ccc2c(c1)OCO2 9827600 DOMAKSHVEUQGRD-UHFFFAOYSA-N 446.529 1.571 0 40 IDAB Cc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)on1 11010554 OLFAYTLYDBUCAC-KBPBESRZSA-N 446.485 1.714 0 40 IDAB COc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1OC 12005928 KEGBHZDVQQNIBR-CQSZACIVSA-N 432.498 1.989 0 40 IDAB biogenic O=c1n(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc2n1CCCCC2 12889403 AQQIIUFXESBWJO-UHFFFAOYSA-N 431.971 1.450 0 40 IDAB CCN(C(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 12911564 GIWUSUYMSZJCQH-OAHLLOKOSA-N 443.518 1.224 0 40 IDAB Cn1cccc1[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 13164838 CILFDNYXBGUAEY-HXUWFJFHSA-N 434.537 1.834 0 40 IDAB CN(c1ccc(OCC(=O)NCCN2CCOCC2)cc1)S(=O)(=O)c1ccccc1 13584850 IVALLIUNZWBTBZ-UHFFFAOYSA-N 433.530 1.339 0 40 IDAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 14075869 WPWSGJYPLPRODO-JTQLQIEISA-N 446.558 1.608 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)c(OC)c1 14084472 IRBNXFLCFIHNST-FZKCQIBNSA-N 434.489 1.624 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)N[C@H](C)c1cccnc1)c(=O)n2Cc1ccccc1 14095290 UDKHNCQWAFKBRJ-MRXNPFEDSA-N 432.484 1.700 0 40 IDAB CCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccccc1OC 14198756 YZUJAVOYXGWKRX-UHFFFAOYSA-N 434.443 1.989 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 15718235 IXVNDXKDVOKAKG-IAGOWNOFSA-N 433.530 1.391 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)c1cc(S(=O)(=O)N3CCOCC3)cn1C)CC2 17064973 KPZGACQIXOBBFR-UHFFFAOYSA-N 449.529 1.262 0 40 IDAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCOCC1 19499596 CDJLYRJUZOXDAG-GOSISDBHSA-N 426.477 1.810 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccsc3)[nH]c(=O)c2C1 19520419 KEOJNJDOXHNXMU-INIZCTEOSA-N 436.559 1.907 0 40 IDAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3cccc(OC)c3)c(=O)n12 22357478 ISQMATTYUBHJGP-OEFTZYIISA-N 436.489 1.868 0 40 IDAB CCN(CC)[C@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)Cc1ccccc1 24688229 YIHBCJSWNCNTCT-KRWDZBQOSA-N 425.576 1.565 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4cn[nH]c34)CC2)cc1 31190161 XNAAEVDSOLWLLQ-UHFFFAOYSA-N 442.497 1.886 0 40 IDAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCS2(=O)=O)c1 36358947 IPHURRHPRZSWHX-UHFFFAOYSA-N 447.513 1.889 0 40 IDAB COc1ccc(CCNC(=O)c2nc(COc3ccccc3C(N)=O)no2)cc1OC 40284450 LKHLRPLZNVWDHN-UHFFFAOYSA-N 426.429 1.737 0 40 IDAB C[C@H]1CN(c2ccc(NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cc2F)C[C@@H](C)O1 48291010 KTSVMSVSZGQXEU-LZWOXQAQSA-N 428.530 1.985 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 57415113 DBHKZARGZGJIQC-GOSISDBHSA-N 442.907 1.733 0 40 IDAB COC(=O)c1cnc(N(C)Cc2cccc(OC)c2)c(S(=O)(=O)N2CCOCC2)c1 69920712 PGSNSCWRKMNHDB-UHFFFAOYSA-N 435.502 1.534 0 40 IDAB CCOC(=O)c1csc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)n1 72326277 DQNJWKHMAOLXIS-HNNXBMFYSA-N 428.470 1.910 0 40 IDAB biogenic O=C(CSc1ccc(F)cc1)Nc1ccc(-n2nnn(CC(=O)NC3CC3)c2=O)cc1 77100238 INNSYNRYAMJYSE-UHFFFAOYSA-N 442.476 1.578 0 40 IDAB COc1ccc(C(=O)N2C[C@@H](C)Oc3ncccc32)cc1S(=O)(=O)N1CCOCC1 89941258 DOFHZLYXZRAPKA-CQSZACIVSA-N 433.486 1.539 0 40 IDAB CCOC(=O)c1sc(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)nc1C 96123983 JGUWFPXOJSVBNL-UHFFFAOYSA-N 442.505 1.854 0 40 IDAB CC(C)NC(=O)N1CCC2(CC1)O[C@@H](C(=O)N(C)Cc1ccccn1)Cn1ccnc12 96263230 IVUAFKPFSJOOFN-GOSISDBHSA-N 426.521 1.745 0 40 IDAB O=C(c1ccncc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1cccc(Cl)c1)S3(=O)=O)O2 96264003 HOOOGROSKMWWMU-HBFSDRIKSA-N 433.917 1.933 0 40 IDAB COC(=O)CCOc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C)n3)CC2)cc1 97370606 BDXGSESDPSNORY-UHFFFAOYSA-N 434.518 1.546 0 40 IDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)N3CCNC3=O)c2)C1 104860095 YHPACABNPXGZGJ-QLFBSQMISA-N 437.518 1.450 0 40 IDAB O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1C[C@@H]1CCCO1 138225745 QWTPFGWYUWQUJX-JFPHOSBPSA-N 431.492 1.829 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1 216363948 JQPXZGLOUJUWDQ-HOTGVXAUSA-N 438.550 1.052 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238916137 SNUIULRZUIATKS-UHFFFAOYSA-N 434.927 1.157 0 40 IDAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@@H]4[C@H]5C=C[C@@]6(CN(C)C(=O)[C@H]46)O5)C3)cc2n1 248098764 ZJPCJEXVHIGRJL-PYIBLHNWSA-N 437.500 1.115 0 40 IDAB Nc1ncnc2c1ncn2[C@@H]1CCCC[C@H](NC(=O)CC2(CC(=O)O)CCCC2)[C@H]1O 257313829 UUGNZJVVJJRBEA-PMUMKWKESA-N 430.509 1.795 0 40 IDAB COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccnn3C)CC2)C1 306129580 IHILXAZZRFMPNG-UHFFFAOYSA-N 425.449 1.485 0 40 IDAB O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCN1CCOCC1 408597899 WGODPRMMLNTXEP-UHFFFAOYSA-N 431.558 1.546 0 40 IDAB COc1ccc(CCN2C(=O)N[C@H](CC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 504094018 WTCJKKKDUOSBGS-UYAOXDASSA-N 425.485 1.268 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N2Cc3ccnn3C[C@H](CNC(=O)c3cscn3)C2)cc1 585098987 XZKJKBMLJJMANM-OAHLLOKOSA-N 431.543 1.899 0 40 IDAB CN(C)CCNC(=O)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)Cc2cccc(F)c2)C1 585106792 QLJQRHIJAXEIBB-HSZRJFAPSA-N 442.539 1.506 0 40 IDAB Cc1cnn(CC(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)c1 643557359 VFTFUQFNHVRJSF-QHCPKHFHSA-N 426.517 1.711 0 40 IDAB COc1ccc(CN2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2CN(C)CCN23)cc1OC 1772595433 WEBYMYTZCNAKQD-HXUWFJFHSA-N 428.577 1.864 0 40 IDAB Cn1cc(-c2cnc(OC3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)nc2)cn1 1889269645 FDIJKUDPZFKCAM-UHFFFAOYSA-N 434.456 1.855 0 40 IDAB c1ccc(C2=NP(N3CCOCC3)(N3CCOCC3)=NC(N3CCOCC3)=N2)cc1 4162248 RCNZEVOGTFOMHL-UHFFFAOYSA-N 432.465 1.746 0 40 IDAB COc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)CCC(=O)O)[C@H]2C(=O)N3)cc1 8296533 NJGZEVBLYVTADR-RXVVDRJESA-N 437.452 1.878 0 40 IDAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(c3ncccn3)CC2)cc1 9223253 FSEMAZBZTABKJU-LJQANCHMSA-N 429.546 1.677 0 40 IDAB Cn1cc(CN(CCS(=O)(=O)N2CCCC2)C(=O)c2ccc(Br)o2)cn1 9485508 RGZYIHTVUVORRK-UHFFFAOYSA-N 445.339 1.844 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nnnc2N1 10231877 FRXCKPMQWNWTHG-QGZVFWFLSA-N 436.384 1.915 0 40 IDAB C[C@H](NC(=O)COc1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 10557326 HLJMAHLIGVJHMB-RBUKOAKNSA-N 439.512 1.851 0 40 IDAB NC(=O)C1CCN(C(=O)Cn2nc3c4ccccc4nc(Cc4ccccc4)n3c2=O)CC1 12181946 UXISOTSYTFSCIX-UHFFFAOYSA-N 444.495 1.359 0 40 IDAB O=C(NC1CCCC1)[C@H]1N(C2CC2)C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]12O3 12642385 PEQRRQDTRSBGEN-ZJTKBAOVSA-N 435.524 1.675 0 40 IDAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 12914872 UOQINDWHEVREES-LLVKDONJSA-N 426.878 1.858 0 40 IDAB CCCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 13069131 HDMBOJOQBWWULA-QGZVFWFLSA-N 444.575 1.137 0 40 IDAB Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)no1 13133827 CEICEOJRZWZDOU-UHFFFAOYSA-N 443.481 1.826 0 40 IDAB O=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 13163426 CSPHJIDIWYVDPB-UHFFFAOYSA-N 436.556 1.655 0 40 IDAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C=O)CC3)cc2)cc1OC 13669854 IEQQZYBKJIJEQJ-UHFFFAOYSA-N 447.513 1.443 0 40 IDAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3ccccn3)C(=O)[C@@H]1C2 13721968 FYNRDLLNRASIOY-SFHVURJKSA-N 438.484 1.884 0 40 IDAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(S(=O)(=O)c2cccs2)CC1 15406940 KHTDJVBQTBMERX-AWEZNQCLSA-N 434.543 1.428 0 40 IDAB CC(C)(C)c1cc2nc([C@H]3CCN(C(=O)COCCN4CCCC4=O)C3)cc(O)n2n1 19084233 NUPIDKXRKPRFTG-HNNXBMFYSA-N 429.521 1.687 0 40 IDAB COc1cccc([C@@H]2CN(C(=O)CN3CCC(C(N)=O)CC3)C[C@H]2c2csnn2)c1 19566020 DRNSUGGTKMYBNT-ZWKOTPCHSA-N 429.546 1.454 0 40 IDAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)[C@H]2CC=CCC2)CC1 19573710 BGXKXFPOEOAKPV-KRWDZBQOSA-N 434.562 1.779 0 40 IDAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)C[C@H]2C=CCC2)CC1 19573752 GMZGZEWZDOVFCT-INIZCTEOSA-N 434.562 1.779 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)NCc1ccccn1 22228454 RSSIIMUXWWKTRK-UHFFFAOYSA-N 430.530 1.231 0 40 IDAB CC(C)c1noc(CN2CCN(Cc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)n1 22891528 VMHZBAWBAFYNFE-UHFFFAOYSA-N 449.577 1.532 0 40 IDAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 22928744 USTYOEMXJVJYFP-HSZRJFAPSA-N 440.519 1.982 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1csc(N2CCCC2=O)n1 30064441 LNHQFXRESHJLGB-UHFFFAOYSA-N 434.543 1.652 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1c[nH]c2ccc(F)cc2c1=O 32606405 OGHUPSPQQBUJQB-UHFFFAOYSA-N 431.445 1.940 0 40 IDAB O=C(OCc1cc(=O)n2ccccc2n1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 32747379 MVIJKIOJQNJYMV-MRXNPFEDSA-N 438.465 1.351 0 40 IDAB CCOC(=O)C1=C(CN2CCC(C(=O)NCCOC)CC2)NC(=O)N[C@H]1c1ccc(C)o1 32754857 OWFOEFAAPLAFPG-IBGZPJMESA-N 448.520 1.234 0 40 IDAB C[C@@H](OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC(C)(C)C 36757988 JJBPNGLWEKPSKU-CYBMUJFWSA-N 428.507 1.363 0 40 IDAB O=C(COc1coc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1=O)N1CCNC1=O 40267457 IOWRHRWMNWHIMV-UHFFFAOYSA-N 446.891 1.546 0 40 IDAB CCCS(=O)(=O)NC1CCN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1 48279456 KQBQCEDGAROUGJ-SFHVURJKSA-N 438.529 1.225 0 40 IDAB Cc1ccc(CNC(=O)Cn2cc(C(=O)N3CCOCC3)c(=O)c3ccc(C)nc32)cc1 49002290 LWJODKIVHSKBGV-UHFFFAOYSA-N 434.496 1.802 0 40 IDAB Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NC[C@H]5CCCO5)nc34)n2)cc1 57503473 DIHXPRGMZHXFRD-MRXNPFEDSA-N 434.456 1.817 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)n1 72325335 PLHFVCVNUQGRTQ-INIZCTEOSA-N 442.497 1.839 0 40 IDAB biogenic Nc1nonc1C(=O)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352465 KWEWQCDOMUGYEO-LBPRGKRZSA-N 427.486 1.969 0 40 IDAB CC1(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CCOCC1 95409526 PHJGCHQUPVNQDQ-KRWDZBQOSA-N 426.535 1.649 0 40 IDAB Cc1cccc2c(=O)n(CCC(=O)NCCOc3cccc(NS(C)(=O)=O)c3)cnc12 95453598 ZIOZKCTZLHCFJJ-UHFFFAOYSA-N 444.513 1.662 0 40 IDAB CC[C@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)COC)CC4)C1 100234607 FOCQSKLOSDZZML-LSDHHAIUSA-N 429.521 1.718 0 40 IDAB CSCC[C@H](C(=O)Nc1ccc(-n2cnnn2)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101405253 ZNIHYABQGJYKQQ-IXDOHACOSA-N 428.518 1.898 0 40 IDAB CCOC(=O)c1ccsc1NC(=S)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102616935 SZYRWGVYDJFURP-TXFQPVFDSA-N 433.511 1.545 0 40 IDAB Nc1ncnc2c1ncn2[C@@H]1CN(C(=O)CCc2nc3ccc(Cl)cc3[nH]2)C[C@H]1O 257312634 UOWWUFASSNXKIB-ZIAGYGMSSA-N 426.868 1.315 0 40 IDAB COCC(=O)N1CC[C@]2(C1)CN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccccc1O2 306128754 HJSIBVORRCYKFI-QFIPXVFZSA-N 446.525 1.896 0 40 IDAB CCn1cc(CN2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@@H]3C2)cn1 306135130 OIQIHOBMZLWADW-RTBURBONSA-N 440.529 1.529 0 40 IDAB CN1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1 408532238 NOFSAUPTTAYPGN-UHFFFAOYSA-N 429.542 1.981 0 40 IDAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CCN1CCCS1(=O)=O 501220391 YCSCYOUVIXHKKS-HXUWFJFHSA-N 446.573 1.874 0 40 IDAB CC(=O)N1CC(=O)[C@H]([C@@H](c2cccnc2)c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])C1=O 524732789 NYKSQASWADIOKX-FGZHOGPDSA-N 432.480 1.888 0 40 IDAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 1534613253 QRNSYKJHAJQQPZ-DSKINZAPSA-N 447.557 1.008 0 40 IDAB CNC(=O)CN1CCC2(CC=CC[C@@H]3COCC[C@@H]3NC(=O)[C@@H](CC(C)C)NC2=O)CC1 1615126302 OXYMNMYXUOBBAJ-HSALFYBXSA-N 448.608 1.217 0 40 IDAB CN1CCN(C(=O)c2cc(=O)n(C)c(=O)n2C)[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 1848351823 SRFHVGRMKNXNNR-NRFANRHFSA-N 446.507 1.277 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(c5ccc(C(F)(F)F)nn5)C[C@@H]4C3)ncnc21 1888913554 FSWNLWQOIWGBGE-CHWSQXEVSA-N 434.426 1.854 0 40 IDAB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NC[C@H]3CCCO3)nc(C(C)C)nc21 3405886 HHCYYABWCZVWLP-CYBMUJFWSA-N 435.550 1.411 0 40 IDAB O=C(CSc1nnc(-c2cccnc2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 3495608 FLJHQGFXJCZETJ-UHFFFAOYSA-N 445.526 1.757 0 40 IDAB CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 6552247 RWVFTISNAUCHBX-UHFFFAOYSA-N 447.517 1.547 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1c(=O)cnc2ccccc21 9465425 VSGZWJUWGYCJBF-UHFFFAOYSA-N 442.497 1.365 0 40 IDAB CCOc1ccccc1C(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)c(=O)n2C 9645747 GLUHBBPWRNFLSF-UHFFFAOYSA-N 438.484 1.725 0 40 IDAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9822345 QDDPRAIJRMKPMY-UHFFFAOYSA-N 430.490 1.383 0 40 IDAB CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(Br)o4)CC3)nn2)CC1 10213363 WYJPGCVMJBLEMD-UHFFFAOYSA-N 435.326 1.546 0 40 IDAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCNC1=O)OCc1ccccc1 10215876 NGTIBMQZUFTFFR-SFHVURJKSA-N 425.441 1.619 0 40 IDAB CCc1cccc(OC[C@@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385309 ZLWYKTKYQPZRHK-RDJZCZTQSA-N 441.532 1.662 0 40 IDAB Cc1cc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)on1 12159447 RNUCZMDTHYSWAK-QGZVFWFLSA-N 432.502 1.840 0 40 IDAB NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccc3c(c2)OCO3)c1N 12709631 HYKBDPXNXKSGMX-UHFFFAOYSA-N 445.501 1.254 0 40 IDAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccccc1CN1CCOCC1 12946288 YKISJWUMROGKGF-UHFFFAOYSA-N 426.448 1.791 0 40 IDAB O=C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12972613 QTPMDWDOPZVGQO-IBGZPJMESA-N 444.509 1.539 0 40 IDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 14242500 BBHWDGSKESIDAH-UHFFFAOYSA-N 442.545 1.348 0 40 IDAB CN1C[C@H](C(=O)N2CCC(c3ccc(C(=O)NCc4ccccc4)c(N)n3)CC2)CC1=O 19765903 PCEFPAGWNQBYNB-GOSISDBHSA-N 435.528 1.778 0 40 IDAB CC(C)OC(=O)c1nnn(-c2nonc2N)c1CN1CCN(c2ccc(F)cc2)CC1 19830984 NNVCSQQHEKVIHX-UHFFFAOYSA-N 430.444 1.259 0 40 IDAB COc1ccc([C@@H]2N=C3NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 20556184 UFEBVKXHLORHNB-JOCHJYFZSA-N 447.543 1.920 0 40 IDAB CN1CCN(CC(=O)N2CCc3c([nH]c4ccccc34)[C@@]23C(=O)Nc2ccccc23)CC1 20636509 KNXNFZNQVLNUGG-VWLOTQADSA-N 429.524 1.996 0 40 IDAB biogenic Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22917250 DYADLSXSUNSVLR-UHFFFAOYSA-N 438.528 1.905 0 40 IDAB COc1ccc(C(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1OC 24787802 YPWXVYVJMCLEOG-UHFFFAOYSA-N 425.434 1.890 0 40 IDAB Cc1nnc(-c2ccccc2)c(=O)n1NC(=S)Nn1c(C)nnc(-c2ccccc2)c1=O 26442102 AZPGNBMNVPWDLE-UHFFFAOYSA-N 446.496 1.613 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CCn1nc2ccccn2c1=O 26907986 YIVOMNRCNOXLFN-NRFANRHFSA-N 431.500 1.472 0 40 IDAB Cc1oc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 40153950 OVSFLNCQZRIFJF-UHFFFAOYSA-N 446.573 1.925 0 40 IDAB CN(C)c1nc(N2CCOCC2)nc2c1CCN(S(=O)(=O)c1cccc(F)c1)CC2 96083912 CVTKJKBZPIGWNM-UHFFFAOYSA-N 435.525 1.308 0 40 IDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cc3ccccc3[nH]c2=O)o1 96221272 YBDHHYOZGZWYQO-INIZCTEOSA-N 440.452 1.714 0 40 IDAB biogenic Cc1cnc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)N4CCCC4)CC3)O2)cn1 96243849 AKXYPSNYFNHHQT-SFHVURJKSA-N 439.520 1.204 0 40 IDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCCNC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)OC2=O 102811143 XGRKUKXYQLTUHB-KAOXLYBCSA-N 434.533 1.853 0 40 IDAB CN(C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)[C@@H]1CCCC[C@H]1O 225769936 BRHRMHSKGWLSNH-IAGOWNOFSA-N 426.535 1.766 0 40 IDAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)cc32)cc1 225960094 JHOFSZRCMVJSHZ-UHFFFAOYSA-N 446.529 1.575 0 40 IDAB COc1ccc(CNC(=O)Cc2ccc(Br)cc2O)cc1S(N)(=O)=O 557064701 UVRNACBHTWFMSG-UHFFFAOYSA-N 429.292 1.670 0 40 IDAB COc1ccc(C(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)c(OC)c1OC 575610814 BLTHIJNPKPMYOR-UHFFFAOYSA-N 439.465 1.783 0 40 IDAB O=C(NCc1cncc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 575620187 REIJUZMUGBSSLM-UHFFFAOYSA-N 444.513 1.159 0 40 IDAB Cc1noc(C)c1CN1C[C@]2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O 585104498 OJMIEKYQFQDUJI-QFIPXVFZSA-N 447.557 1.946 0 40 IDAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(Cc1ccc(OC)c(OC)c1)CC2 1772595293 KMUVLNSUOSIFEE-LJQANCHMSA-N 432.565 1.101 0 40 IDAB Cc1cc(N2C[C@@H]3CN(S(=O)(=O)c4ccc(N5C(=O)CCC5=O)cc4)C[C@H]3C2)ncn1 1775976084 VICKEPMHXUJAAS-HZPDHXFCSA-N 441.513 1.195 0 40 IDAB CN1C[C@H]2C3(CCN(S(=O)(=O)c4cn(C)cn4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 2055796044 PCWUXNCBSIVTPI-LAUBAEHRSA-N 435.594 1.155 0 40 IDAB COc1cc(/C=c2\sc3n(c2=O)CN(c2ccc(F)cc2)CN=3)cc(OC)c1OC 2259431 SFZKZTVQZPZHKK-ZDLGFXPLSA-N 429.473 1.958 0 40 IDAB Cc1cn2c3c(=O)n(CC(=O)c4ccc(F)cc4)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 6444634 CKWUAJRHTHOOCQ-MRXNPFEDSA-N 439.447 1.659 0 40 IDAB CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2S[C@@H](C)C(=O)OC)cc1 6578197 ZKANHMPJCSXUGP-NSHDSACASA-N 431.474 1.287 0 40 IDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)C1 9305413 SIVXSHWQIGAVIK-DLBZAZTESA-N 438.546 1.898 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1 10490559 DEHZSBCVTRDNEW-UHFFFAOYSA-N 428.499 1.562 0 40 IDAB CCc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2c(=O)n(C)c(=O)n(C)c2n1 11758073 CWHXDOIVOXPSNW-UHFFFAOYSA-N 443.485 1.092 0 40 IDAB CCS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 14398876 JZHUIWCUHODHBY-UHFFFAOYSA-N 431.514 1.920 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NCc3cccs3)CC2)cc1 14934550 VPDOGFIEARRGJT-OAHLLOKOSA-N 435.571 1.962 0 40 IDAB O=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1ccc(=O)[nH]c1 16850522 QRPLKZXNVDYKHA-UHFFFAOYSA-N 434.452 1.001 0 40 IDAB Cn1c(SCC(=O)NC2CC2)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17099674 UFQQCEIFKYSNBP-CQSZACIVSA-N 435.575 1.754 0 40 IDAB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 20613966 QRVBSBFUALAWQN-IBGZPJMESA-N 425.485 1.530 0 40 IDAB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccc3c(c2)OCO3)CC1 20614289 YEBUEAKROUXQJU-GOSISDBHSA-N 446.454 1.737 0 40 IDAB CC(C)CCNC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 21896495 MDISABASSCUAGO-IBGZPJMESA-N 439.578 1.624 0 40 IDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23935156 SDKQZEPFNRGXPC-UHFFFAOYSA-N 440.525 1.004 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 33047794 ARXRPRBRWWIVRX-HNNXBMFYSA-N 427.500 1.834 0 40 IDAB O=C(NCC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 35312008 ZRXYCBANHJOLAW-KRWDZBQOSA-N 432.550 1.760 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)NCC1CCN(C(=O)c2cccn(C)c2=O)CC1 43959894 LHXVJAKNQZKEDX-UHFFFAOYSA-N 437.493 1.364 0 40 IDAB O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)[C@H]1CCS(=O)(=O)C1 48365776 ONAHPYBCEOQWIP-NSHDSACASA-N 429.545 1.454 0 40 IDAB CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@@H](c3ccc(OCC)cc3)NC(=O)N2)CC1 67287207 QJONBMQRHZFGGN-LJQANCHMSA-N 446.504 1.640 0 40 IDAB O=C(CCCNS(=O)(=O)c1cccs1)N1CCC(O)(c2cccnc2F)CC1 72340074 CADXYCBNVAKCAO-UHFFFAOYSA-N 427.523 1.851 0 40 IDAB CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)CCN3C(=O)NC(C)(C)C3=O)CC2)C1 72394349 SEOJXDMQZCGOFM-UHFFFAOYSA-N 442.516 1.509 0 40 IDAB CN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1F)CC2 96143562 YQUAKCRKZRDNNF-JKSUJKDBSA-N 445.520 1.364 0 40 IDAB O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccco1)[C@@H]1C=C[C@@H]2[C@H]2[C@H]3C(=O)N(Cc4ccco4)C(=O)[C@@H]3[C@H]12 100088156 WSVQHUCRCMDNNU-FXXFJSFJSA-N 432.432 1.837 0 40 IDAB Cc1c(C)n(C)c2ccc(NC(=O)[C@@H]3CN(C(=O)c4ccc(=O)n(C)c4)CCN3C)cc12 257256106 KKCUTUDALCGZGT-NRFANRHFSA-N 435.528 1.889 0 40 IDAB CN(C)CC(=O)N1CCCC[C@H]1c1ccc2c(=O)n(C)c(=O)n(Cc3ccccc3)c2n1 257261543 LHUHIVDHUYEJCE-FQEVSTJZSA-N 435.528 1.759 0 40 IDAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2ncn(C)c2=O)CC1 538856932 BJTHAXGFLNJRKD-UHFFFAOYSA-N 449.577 1.029 0 40 IDAB CCc1ccc(C(=O)NC[C@H]2OC[C@@H](n3ccc(O)nc3=O)[C@@H]3OC(C)(C)O[C@@H]32)cc1 2037977859 QQOQOKMHAKCOJD-ZAWLATJESA-N 429.473 1.401 0 40 IDAB CN(C)S(=O)(=O)c1ccc2nnn(OCCOc3cccc(Br)c3)c2c1 3341837 SPTRHHZZRDFNOG-UHFFFAOYSA-N 441.307 1.952 0 40 IDAB CCCc1nc(SCC(=O)N2CCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1 6530300 FLUZRZSVHMVPQO-UHFFFAOYSA-N 425.514 1.661 0 40 IDAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)Nc1ccc(Br)cc1 8848797 VJSTWDIRHQPFTB-UHFFFAOYSA-N 442.273 1.958 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C4CC4)n3C)CC2)c(C)c1 8880265 XNMKCWFEJAPGER-UHFFFAOYSA-N 449.602 1.935 0 40 IDAB CCCc1nc2ccccc2c(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1CC 9510285 HNDBTBHDICPXBD-UHFFFAOYSA-N 438.484 1.769 0 40 IDAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Sc1ccccc1 9974834 VADVOLSTRCVERX-MFKWGIFDSA-N 439.486 1.435 0 40 IDAB O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)OCC(=O)c1cccs1 10041740 SUTSRUSPWODQOX-UHFFFAOYSA-N 439.287 1.783 0 40 IDAB COc1ccccc1CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 10734397 QYUKXXWKHCIVQY-UHFFFAOYSA-N 448.497 1.189 0 40 IDAB O=C(NCCc1cccnc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12545692 QMVFAITVCCAIPU-UHFFFAOYSA-N 446.529 1.502 0 40 IDAB COc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)c(OC)c1 12795303 UPRIULCCEIWERL-OAQYLSRUSA-N 436.428 1.329 0 40 IDAB CCCn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21 12879506 IGDZLWYZZXWJSO-UHFFFAOYSA-N 442.541 1.746 0 40 IDAB COc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1S(=O)(=O)N1CCCC1 13100559 BCOZCNSYISNHMT-GOSISDBHSA-N 443.525 1.532 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)[C@H]1CCS(=O)(=O)C1 13576309 VPIMUBLVOONUNC-BUYRESAOSA-N 426.491 1.898 0 40 IDAB O=C1CN(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)C2(CCCCC2)C(=O)N1 14201382 GFIRCEDCZJASFA-GFCCVEGCSA-N 439.563 1.409 0 40 IDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)NCc3ccccc3)c(C)n2)n1 19755243 ZPNSQJVHSCWIHS-HXUWFJFHSA-N 446.511 1.944 0 40 IDAB COc1cc([C@@H]2CC(=O)c3cnc4c(c3C2)c(=O)n(C)c(=O)n4C)cc(OC)c1OC 19962322 IVJSHYPXVQDEPR-NSHDSACASA-N 425.441 1.571 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4F)CC3)C2)cn1 20045166 MLBTVLILHSQYLL-GOSISDBHSA-N 449.552 1.304 0 40 IDAB COc1cc(CCC(=O)Nc2ccc(-n3c(=O)n(C)n(C)c3=O)cc2)cc(OC)c1OC 41107756 RXIDSWKFAIBVSM-UHFFFAOYSA-N 442.472 1.472 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 58014106 KVBGHVZFDMBTSI-UHFFFAOYSA-N 431.478 1.411 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)c1nc3n(n1)-c1ccccc1S(=O)(=O)N3)OCO2 95394489 MXTOQLVQBOICRE-UHFFFAOYSA-N 427.398 1.565 0 40 IDAB CN1CCN(c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)CC1 113946765 JUOMLNCRBMNVRH-UHFFFAOYSA-N 449.552 1.829 0 40 IDAB CC(=O)O[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 245229093 MYQGCBXRGIEDNW-QKDCVEJESA-N 432.212 1.662 0 40 IDAB CN1CCN([C@H]2CC[C@](CNC(=O)[C@H]3CC(=O)N(C)C3)(c3ccccc3)CC[C@@H]2O)CC1 257250841 JOFMUPNFEGVFIQ-RHQSAMMMSA-N 442.604 1.070 0 40 IDAB C[C@]1(O)CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC[C@@H]1Oc1ccccc1 257252741 JVZLZFIRAVPTFY-RXVVDRJESA-N 430.482 1.262 0 40 IDAB Cn1cc(CN2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 306124756 BYLGXIMLFWVFCW-RTBURBONSA-N 425.514 1.651 0 40 IDAB COC(=O)c1cc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc(C(=O)OC)c1 408626987 YTMARPGPSHZPKQ-UHFFFAOYSA-N 438.433 1.804 0 40 IDAB Cc1cc(C(F)(F)F)nc(N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)n1 541590988 ICOLIARVZKVSKM-UHFFFAOYSA-N 442.423 1.897 0 40 IDAB CC(=O)Nc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(C)=O)C2)c1 1541019599 OSLBTSNMPDBXMJ-MOPGFXCFSA-N 439.520 1.341 0 40 IDAB O=S(=O)(NCCc1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 4411538 QLYZJYHIONXTPN-UHFFFAOYSA-N 428.507 1.368 0 40 IDAB CC(=O)O[C@@H]1CO[C@H](n2cc(C(=O)C(=O)O)c3ccccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 6073933 GKASZHXFBQGIKI-AFYVEPGGSA-N 447.396 1.233 0 40 IDAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 9466936 OEHOPHNJQFJONC-MLGOLLRUSA-N 445.588 1.576 0 40 IDAB CCN(C(=O)CN(C)Cc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9507235 SFKYMSIZRGRVQL-UHFFFAOYSA-N 435.528 1.960 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CNC(=O)c3cccc(C)c3)CC2)cc1 9739514 ZFWKDWBNETWSPS-UHFFFAOYSA-N 429.542 1.956 0 40 IDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)cc2)C1 10608679 IFAMVFUIUOFHOY-HUUCEWRRSA-N 449.529 1.108 0 40 IDAB C[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 12085937 XGVMVDMYPISSMB-QZTZHPFYSA-N 440.544 1.603 0 40 IDAB CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 16033014 XJBNWBJVVISKKM-XVIHEJCXSA-N 446.507 1.088 0 40 IDAB biogenic COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 16188245 ZTMYIHDMSYLUQZ-UHFFFAOYSA-N 447.922 1.255 0 40 IDAB CC(C)S(=O)(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCOCC1)CC3 19451044 CQNIAVAOYLYOBG-LJQANCHMSA-N 449.577 1.847 0 40 IDAB COc1ccc([C@@H]2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)N(C)S(=O)(=O)N2)cc1OC 19590896 VLIVUIQNJFQUIM-LSDHHAIUSA-N 449.485 1.651 0 40 IDAB O=P([C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)(N1CCOCC1)N1CCOCC1 19848937 VDKGGFMIBOLUDM-FQEVSTJZSA-N 439.449 1.604 0 40 IDAB Cc1ccc(CN2C(=O)NC3(CCN(CC(=O)Nc4nnc(C)s4)CC3)C2=O)cc1 22714452 LVFGOYIGFKLXND-UHFFFAOYSA-N 428.518 1.680 0 40 IDAB O=C(NC1CC1)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 26231086 KYFOBCAKEOVYOC-UHFFFAOYSA-N 435.527 1.820 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCc2cccs2)cc1 32957406 XDAQJZRLAOKGJW-UHFFFAOYSA-N 439.515 1.187 0 40 IDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCn1cnc2cc(OC)c(OC)cc2c1=O 36369801 YIWRTFKRINSWPF-SFHVURJKSA-N 439.468 1.704 0 40 IDAB biogenic COc1ccc(CCN2C[C@H](C(=O)N[C@@H](C)c3nnc4n3CCC4)CC2=O)cc1OC 58329532 RTRBNMNTYDMHQH-GOEBONIOSA-N 427.505 1.510 0 40 IDAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CN1C(=O)C(=O)N(C)C1=O)CC2 72281576 IYUGZTOYPKSFKH-SFHVURJKSA-N 443.481 1.660 0 40 IDAB C[C@H](C(=O)NCCc1cccc(F)c1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326359 TZVKNJOBMWVVHU-IQMFZBJNSA-N 439.491 1.832 0 40 IDAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)CCn2cccn2)CC1 72335903 AHPRSPROWALPAX-UHFFFAOYSA-N 432.550 1.473 0 40 IDAB CNC(=O)CN1CC2(CCN(Cc3ccccn3)CC2)COc2ccccc2S1(=O)=O 96145242 WKZZEPCVABCPKY-UHFFFAOYSA-N 444.557 1.493 0 40 IDAB CCCCn1c2c(c(=O)n(C)c1=O)[C@@H](CC(=O)Nc1ccc(OC)c(OC)c1)C(=O)N2 102970554 FOJCRUCUMUASJN-CYBMUJFWSA-N 430.461 1.429 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)CC1 108234373 PUBGQMMCPHQVAW-GBPOLFSSSA-N 441.484 1.282 0 40 IDAB Cc1cc(C)n(CC(=O)NCc2ccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)cc2)c(=O)n1 257284038 PAZYLPPDMUPSRH-IHPCNDPISA-N 425.489 1.283 0 40 IDAB CCCN1C(=O)N[C@H](CC(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3)c2)C1=O 257294092 QSJUYMPFNANRMU-RTWAWAEBSA-N 448.523 1.944 0 40 IDAB O=C(N1CCC2(CC1)Cc1nn(Cc3ccc(F)cc3)c(=O)c(=O)n1C2)C1(F)CCC1 585105965 GIYQAPVQOWNFEX-UHFFFAOYSA-N 430.455 1.650 0 40 IDAB O=C(Cc1cccc(F)c1)N1CCC2(CC1)CCn1c2nn(Cc2cccnc2)c(=O)c1=O 585106536 ZQPRKTLJQZPDOJ-UHFFFAOYSA-N 449.486 1.494 0 40 IDAB CNC(=O)c1cccc([C@H]2CN(C(=O)[C@@](F)(Cc3ccccc3)NC(C)=O)CCN2C)c1 1848352683 MZPWWMBTNLOLGB-ZJSXRUAMSA-N 440.519 1.906 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3411412 IODOGEFOJDECGK-FQEVSTJZSA-N 448.497 1.578 0 40 IDAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)CC1=O 9442510 CJCMSBZZMWUNIZ-HNNXBMFYSA-N 426.425 1.636 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccccc1CN(C)C 9917327 RBQKMXIIVJDDFZ-UHFFFAOYSA-N 447.557 1.708 0 40 IDAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 10688911 FRJCITUURNZROA-UHFFFAOYSA-N 434.518 1.667 0 40 IDAB Cc1c(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)sc2nc[nH]c(=O)c12 12677504 UKHMHPRJDKTXAD-OAHLLOKOSA-N 440.481 1.417 0 40 IDAB C[C@@H](C(=O)NCc1ccccc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(O)c1 12705758 QLSKGCWFQUXTGE-LBPRGKRZSA-N 439.497 1.882 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)c2nccnc2N)sc(C(=O)N(C)C)c1C 13023246 YNSDZKVOCIOYQX-UHFFFAOYSA-N 435.462 1.103 0 40 IDAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 13040377 PZEDKCIIJXGGEZ-UHFFFAOYSA-N 444.557 1.937 0 40 IDAB CN(CCc1ccncc1)S(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 13732916 QQUYQLLBGKLVHP-UHFFFAOYSA-N 437.543 1.647 0 40 IDAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCCCN1CCOCC1 16428856 DMYJDWNUVCSYFH-UHFFFAOYSA-N 425.551 1.125 0 40 IDAB CCN(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(Br)cc1 16678166 MHTULNLKJNEXLI-UHFFFAOYSA-N 429.340 1.863 0 40 IDAB Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 19127164 HJVIVVSFBOVBAN-QFIPXVFZSA-N 428.489 1.797 0 40 IDAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CCN[C@H]2C=CS(=O)(=O)C2)CC1 19376232 OWCKBLLQDDHHET-KRWDZBQOSA-N 442.541 1.330 0 40 IDAB CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1)c(=O)n2C 19625735 OORGQJMQSVILJI-UHFFFAOYSA-N 441.463 1.663 0 40 IDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CN(CCN3CCCC3=O)CCO2)n1 19692681 DSDCBSASADLDGW-LJQANCHMSA-N 438.532 1.304 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)c3[nH]nc4c3CCCCC4)C1)C2=O 19700804 UCVTZLZCORDMPY-MRXNPFEDSA-N 442.564 1.690 0 40 IDAB COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 20013090 WJRCPGIQKPXXLC-UHFFFAOYSA-N 438.502 1.658 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCN(c2ncccn2)CC1 21848122 JNOZPPQXRVSGFI-INIZCTEOSA-N 432.550 1.185 0 40 IDAB COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 22226870 PHQGFGMHWXRGIP-UHFFFAOYSA-N 434.514 1.697 0 40 IDAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)NCc1ccco1 22228400 OQQGWEVJWHGKDP-UHFFFAOYSA-N 433.530 1.866 0 40 IDAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O 22829894 LUHFSLGBDLVPPT-MRXNPFEDSA-N 431.002 1.557 0 40 IDAB O=C(CCNS(=O)(=O)c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23818439 LEGQNKIVDAKPBI-UHFFFAOYSA-N 437.543 1.490 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 24894906 ATYDJSDOHGAFPF-OAQYLSRUSA-N 445.497 1.546 0 40 IDAB O=C(OCC(=O)N1CCNC1=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 24907491 BQCMSBGZZBFPHY-UHFFFAOYSA-N 429.882 1.223 0 40 IDAB CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccc(-n4cnnn4)cc3)sc2c1 27913055 RDNOCLXSBNBNHJ-UHFFFAOYSA-N 430.471 1.693 0 40 IDAB Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc4c(c3)OCCO4)nc(C)n2)n1 35597322 XLOJZQSIKBITHY-UHFFFAOYSA-N 444.517 1.749 0 40 IDAB CCCN(CC(=O)OC)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 40155699 LEYLKTKWBYIKAK-UHFFFAOYSA-N 447.557 1.558 0 40 IDAB Cc1ccc([C@H](CNC(=O)c2nc(N3CCOCC3)ncc2Cl)N2CCOCC2)o1 48302214 DDYLLBDLMPWNIT-INIZCTEOSA-N 435.912 1.671 0 40 IDAB CCN1C(=O)[C@H]2CN(C(C)=O)C[C@H]2C12CCN(C(=O)NCCc1ccc(OC)cc1)CC2 96143646 SEVVLWNMCHKEOO-LEWJYISDSA-N 442.560 1.739 0 40 IDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1N1CCOCC1 100128613 KHEDMVVOOILFBR-ROUUACIJSA-N 425.533 1.710 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)C2)c1 138906464 LTOIEQHFWSMTJM-OAHLLOKOSA-N 441.440 1.379 0 40 IDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1 223091791 HBDNWSMCZHRYFF-UHFFFAOYSA-N 425.510 1.964 0 40 IDAB COc1ccc2c(c1)CN(C(=O)[C@H]1CCC(=O)NC(=O)N1)C[C@@]1(CCCN(C)CC1)O2 248029007 NONDFEBESQEWGC-VGSWGCGISA-N 430.505 1.259 0 40 IDAB CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCN(C(C)=O)CC3)[C@@H]2O)c(O)c1 257229603 FYSNDXVPGYJNPV-KCZVDYSFSA-N 432.565 1.366 0 40 IDAB O=C(NCCCn1ccnc1)c1cn2c(nc1=O)[C@@]1(CCN(C(=O)c3ccccc3)C1)CC2 306126586 DZQSNOXGOMBVMR-XMMPIXPASA-N 446.511 1.448 0 40 IDAB COc1cccc(CN2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)c1 306139969 UFOJKALTRPKMQF-JOCHJYFZSA-N 439.541 1.774 0 40 IDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4ccc5c(c4)OCO5)C[C@H]32)cc1 306141157 VMTFRXJMPOIACG-MOPGFXCFSA-N 432.480 1.720 0 40 IDAB C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1613954407 UDJSUVSCCIAJTD-HUBLWGQQSA-N 426.516 1.067 0 40 IDAB CCOc1ccc(C(=O)NC[C@H]2OC[C@@H](n3ccc(O)nc3=O)[C@@H]3OC(C)(C)O[C@@H]32)cc1 2037977852 PGMJMPDFSNAEEQ-ZAWLATJESA-N 445.472 1.238 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CC(C)C)NC(N)=O)CC2)cc1 8380603 YLRPZMSBWRNHBI-QGZVFWFLSA-N 426.539 1.001 0 40 IDAB Cc1ccc(OCC(=O)NCC(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc1 8605397 IZSZHOVPSAJJMU-UHFFFAOYSA-N 444.513 1.896 0 40 IDAB Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 9130020 HNRXJCZEOHTRIT-YBZAYSDLSA-N 443.463 1.927 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)CC1 9561376 JEEUAZXZGBRLLZ-UHFFFAOYSA-N 434.543 1.892 0 40 IDAB CCCCCC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 9613750 ZHYCUHTTYBPZSH-OAHLLOKOSA-N 427.571 1.499 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)n(C)c1=O 9667427 BULIDVGDFXLSHC-UHFFFAOYSA-N 438.488 1.135 0 40 IDAB COCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(OC)ccc2OC)n(C)c1=O 10102644 HONPENASQTYVCP-ZDUSSCGKSA-N 429.477 1.348 0 40 IDAB COc1ccc(NCCN2N=C(C)[C@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1Cl 10108892 QZCVWHLTXUTKNJ-LBPRGKRZSA-N 445.911 1.965 0 40 IDAB CCNC(=O)[C@@H](C)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N(CC)CC)=NC2=O)c1 11409540 VDKLGKMNDMPXNF-CZUORRHYSA-N 447.561 1.609 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)NCc3ccc(C)o3)CC1)O2 12087107 HRVXVJFGKVHCFD-HSZRJFAPSA-N 441.484 1.787 0 40 IDAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 12220997 ZXGVFLMWKSXKIW-QGZVFWFLSA-N 435.594 1.878 0 40 IDAB COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12390877 JKNLHLVZGITGSO-UHFFFAOYSA-N 432.527 1.776 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O 12602858 KCRIZVUEXFJIDF-DEOSSOPVSA-N 447.495 1.960 0 40 IDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 12808323 ZKWXCSPFXQWQKO-SFHVURJKSA-N 431.514 1.822 0 40 IDAB CCN(C(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 12911570 GIWUSUYMSZJCQH-HNNXBMFYSA-N 443.518 1.224 0 40 IDAB CCOc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OCC 12986136 BHAAUIKOXZDWOM-CALCHBBNSA-N 443.500 1.832 0 40 IDAB Cc1cc(C)c2c(c1)[C@@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15967487 HBCVETSGEQSJJA-WKVINZIJSA-N 446.507 1.142 0 40 IDAB biogenic O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N1CCN(Cc2ccccc2)CC1 16044967 ZCCJOWYLNYHIAG-QFIPXVFZSA-N 445.523 1.975 0 40 IDAB Cc1ccc(=O)n(CC(=O)N2CCC(c3n[nH]cc3C(=O)N(C)Cc3ccccc3)CC2)n1 19130971 CAIFSEJLNORNLU-UHFFFAOYSA-N 448.527 1.953 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccccc4F)C3)[nH]c(=O)c2C1 19583790 UNPMIDJAMHECJG-MRXNPFEDSA-N 449.552 1.453 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1OC 23124527 VPWSQXNJZODFAH-UHFFFAOYSA-N 447.513 1.842 0 40 IDAB COCCNC(=O)CSc1nnc(N2CCN(C(=O)c3cccs3)CC2)s1 23141889 OVZXCSWEEXRKGH-UHFFFAOYSA-N 427.577 1.417 0 40 IDAB O=c1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[nH]c2ccsc12 25720484 RPEJUXWEBNHPJG-UHFFFAOYSA-N 448.526 1.262 0 40 IDAB CCOC(=O)CCCNC(=O)CN1CCN([C@@H](C(=O)OC)c2ccccc2Cl)CC1 32909344 BDPLZDJWFJIYLL-HXUWFJFHSA-N 439.940 1.631 0 40 IDAB CC(C)[C@H](C(=O)N[C@H](C)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1)c1ccccc1 57775036 CQCLXYLNEFWXNF-POAQFYNOSA-N 436.574 1.783 0 40 IDAB NC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 58061732 ONPAKOWCSURTJY-KRWDZBQOSA-N 432.502 1.565 0 40 IDAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(S(=O)(=O)N(C)C)CC1 72352128 ZDFLHOZZVWBEST-UHFFFAOYSA-N 449.577 1.420 0 40 IDAB COCCNC(=O)[C@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1 95471239 AWKCENBFUQTOKC-AOCRQIFASA-N 439.578 1.347 0 40 IDAB Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(Cc2ccccc2Cl)CC1 95477164 RUDZTARGTSIHAA-UHFFFAOYSA-N 446.979 1.894 0 40 IDAB C[C@H](CNC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 101023356 QTKREROYBHNMOS-HLOGXQIASA-N 434.533 1.851 0 40 IDAB COc1ccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)n2)c(OC)c1 222608537 JFZSWKNCPHVJLL-ZDUSSCGKSA-N 438.506 1.384 0 40 IDAB CN1C(=O)CO[C@@H](C(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)[C@H]1c1ccccc1 223156978 QLZGDXAWTRKJFP-WOJBJXKFSA-N 431.514 1.615 0 40 IDAB CS(=O)(=O)N(CCCC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2 225256169 ISWVCNYNSZKPGH-MRXNPFEDSA-N 448.497 1.918 0 40 IDAB CCOc1ccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 408618521 JWGGFGQPVVPAAB-UHFFFAOYSA-N 447.557 1.729 0 40 IDAB Cc1nocc1C(=O)N1CCC2(CC1)Cc1nn(Cc3ccc(F)cc3)c(=O)c(=O)n1C2 585105977 VGBIZMHVFQBKQL-UHFFFAOYSA-N 439.447 1.368 0 40 IDAB O=c1cc(C2CC2)ncn1CC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 585630483 FIBUEURACBXMBI-UHFFFAOYSA-N 431.514 1.993 0 40 IDAB COC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 938527 WSDLNTROIRDLJA-UHFFFAOYSA-N 435.845 1.556 0 40 IDAB O=C(NCc1cccs1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363826 PNCSNWWBXSBBOJ-AWEZNQCLSA-N 432.531 1.441 0 40 IDAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 4400428 WLTXBJDNNIVYSH-GXFFZTMASA-N 435.481 1.294 0 40 IDAB COc1cc([C@H]2c3cc4c(cc3[C@@H](O)[C@H](CO)[C@@H]2C(=O)O)OCO4)cc(OC)c1OC 4782904 XRBSKUSTLXISAB-HOLAOCEGSA-N 432.425 1.929 0 40 IDAB CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)COc3ccccc3F)c2n1 8947398 KXVGQIWKEDPVAY-UHFFFAOYSA-N 446.508 1.719 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(=O)NC3CCCC3)C2)cc1 9303844 ACNRXIVIPPLBCG-INIZCTEOSA-N 437.562 1.661 0 40 IDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)Nc1ccc2c(c1)OCO2 9492663 FUOQDAFUKXPORI-UHFFFAOYSA-N 426.473 1.761 0 40 IDAB O=C(NCc1ccccc1F)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 9577623 MDEMEYOLYQPNRC-OAHLLOKOSA-N 441.506 1.057 0 40 IDAB COc1cccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 9711117 GXXVCGPVDPNPHS-UHFFFAOYSA-N 425.532 1.777 0 40 IDAB Cc1c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1CCOCCO 10233643 TVRGUBGYNWBOMC-UHFFFAOYSA-N 445.907 1.477 0 40 IDAB O=C(CSc1nc(=O)n(CCO)c2c1CCCC2)N1CCN(c2ccccc2)CC1 10256687 QWGSSIVTXMGZMK-UHFFFAOYSA-N 428.558 1.555 0 40 IDAB Cc1nc(C)n([C@H](C)CC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 12089433 KGGRBWSSDVLMEL-ZUOKHONESA-N 432.550 1.815 0 40 IDAB COc1ccccc1[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1nccn1C 12525175 FFTICMKVAZRGGC-HXUWFJFHSA-N 433.468 1.728 0 40 IDAB CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2c(C)cc(C)cc2Cl)c1=O 12817396 UKEGSVCQEKHLLH-UHFFFAOYSA-N 449.939 1.748 0 40 IDAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 13000705 IQIJLGHMYMVOQU-QHCPKHFHSA-N 449.419 1.352 0 40 IDAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1nccs1 13608623 WRELERUEWRLHEK-UHFFFAOYSA-N 440.522 1.828 0 40 IDAB C[C@@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O 15996880 ITTCLBHTTYJURL-QAPCUYQASA-N 447.532 1.950 0 40 IDAB O=C(C1CC1)N1CCc2c(nc([C@H]3CCCCN3C(=O)CN3CCCCCC3)[nH]c2=O)C1 19014942 PVPPGAIRRURJPV-HXUWFJFHSA-N 441.576 1.994 0 40 IDAB CNc1nc([C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)nc2c1CNCC2 19710578 ZPVGOUBWFSYPFA-CYBMUJFWSA-N 435.525 1.880 0 40 IDAB O=C(CSc1nnc(NC2CC2)s1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 21642949 LGOHTQAQYOOGSZ-STQMWFEESA-N 432.593 1.399 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCC(C(N)=O)CC1 22248859 IEUXDOPCLIGTNR-UHFFFAOYSA-N 431.942 1.473 0 40 IDAB C[C@@H](N[C@H](CN1CCOCC1)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 23249308 HTAPJCQELODOCX-OXQOHEQNSA-N 432.546 1.324 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)CC1 23486470 OIIADYWLLUTRNQ-JOCHJYFZSA-N 445.472 1.027 0 40 IDAB O=C(NCCN1CCN(S(=O)(=O)c2ccccc2Br)CC1)c1ccco1 24838948 WJJXXHXSLTVTKF-UHFFFAOYSA-N 442.335 1.778 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1)OCO2 29196395 LNGYYHNTSHUFGR-UHFFFAOYSA-N 432.521 1.479 0 40 IDAB O=C(NCCN1CCN(C(=O)/C=C/c2ccccc2)CC1)c1nc2ccccc2c(=O)[nH]1 49547844 WZJZMWUHWQZCMT-ZHACJKMWSA-N 431.496 1.511 0 40 IDAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccccc3NC(=O)Cn3cnnn3)cn2)n1 58049418 QZOMRCHJDBVLJY-UHFFFAOYSA-N 431.460 1.439 0 40 IDAB CCNC(=O)c1cccc(CNC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)c1 72301528 HLHLBJLPQYCTRZ-FQEVSTJZSA-N 449.511 1.190 0 40 IDAB NC(=O)C1(N2CCCCC2)CCN(c2ncc3c(=O)n(-c4ccccc4)c(O)nc3n2)CC1 77100682 BBJXASIPITVTFL-UHFFFAOYSA-N 449.515 1.192 0 40 IDAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCCN1CCOCC1)C3 95346303 NVIRYGIAECEDMT-UHFFFAOYSA-N 430.501 2.000 0 40 IDAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2Br)CC1 96121833 NSKOHAOUNMTADD-UHFFFAOYSA-N 441.351 1.975 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222887502 RUCNRPHMVBFGAI-SFHVURJKSA-N 431.558 1.967 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 223047758 XEHIHZCNZDZASZ-UHFFFAOYSA-N 425.551 1.950 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC1)O2 247915588 BDYPNKHNYDPXPL-CKNGIIGNSA-N 445.516 1.205 0 40 IDAB Cc1ncncc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 257233421 GPEVFHQMQGAVAE-UGKGYDQZSA-N 437.544 1.859 0 40 IDAB CN1c2ccc(F)cc2N(CCNC(=O)c2ccc(N3CCOCC3)cc2)S1(=O)=O 575613119 PQDCWLUSHRWOSS-UHFFFAOYSA-N 434.493 1.593 0 40 IDAB COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c1 585269797 KDUMQNVLMNQFPO-FQEVSTJZSA-N 444.528 1.805 0 40 IDAB CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4c(c3)OCO4)C2)c1 814402 YUCKXMVIWVZZQU-INIZCTEOSA-N 437.499 1.898 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)NC(=O)c1cccn1C 3412794 VHIKQCUAHHYXHG-UHFFFAOYSA-N 447.513 1.622 0 40 IDAB O=C(COc1ccccc1)NCC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 3449264 MDJXVGMGVCVGHK-UHFFFAOYSA-N 443.481 1.892 0 40 IDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 8824842 POXSHLVWXLJQFS-LBPRGKRZSA-N 447.419 1.853 0 40 IDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 8883667 WKZCNINEHABHPS-UHFFFAOYSA-N 442.497 1.515 0 40 IDAB Cc1ccccc1Nc1nc(N)nc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)n1 9469332 DOIGMKWWKMSSBT-UHFFFAOYSA-N 441.517 1.500 0 40 IDAB COc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1OC 12005924 KEGBHZDVQQNIBR-AWEZNQCLSA-N 432.498 1.989 0 40 IDAB biogenic O=C(CN1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1)N1CCCCCC1 12595033 QJDYXQXHSYHLPD-UHFFFAOYSA-N 448.589 1.387 0 40 IDAB CCCN(CC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 13513483 SLQVXWDTABRCRV-UHFFFAOYSA-N 432.550 1.712 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)cc1OC 13566070 LUSRHJPQCNWBPJ-HNNXBMFYSA-N 447.513 1.842 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1)CC2 14639064 CCQRLQPXIFOLLD-UHFFFAOYSA-N 448.497 1.817 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OC 15391582 XNODWNVSSDZWOO-CYBMUJFWSA-N 434.470 1.559 0 40 IDAB CCCCn1c(N)c(N(C(=O)COc2ccccc2C(N)=O)C2CCCC2)c(=O)[nH]c1=O 18266064 AWRHSAVGGXLLRD-UHFFFAOYSA-N 443.504 1.372 0 40 IDAB Cc1ccc(C(=O)NCc2ccc(-c3nc(N(C)C)ncc3C(=O)N(C)C)cc2)c(=O)[nH]1 19131526 UYHHQADGNRNWEI-UHFFFAOYSA-N 434.500 1.838 0 40 IDAB O=C(CN1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1)N1CCC1 19697530 KVYBXJDWDJOFRP-KRWDZBQOSA-N 429.542 1.979 0 40 IDAB COc1c(CN2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)c(C)nn1C 19765807 DPQJKSPPEAFKTI-UHFFFAOYSA-N 428.537 1.566 0 40 IDAB COc1cc(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC 21936420 MMWPCHJJAXZTGD-UHFFFAOYSA-N 426.466 1.836 0 40 IDAB CS(=O)(=O)N1CCCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 25574841 XSQVIOKJGDAMBJ-UHFFFAOYSA-N 438.575 1.290 0 40 IDAB CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCc2ccccc21 32850821 JGYIHUOTRYEDKM-RBUKOAKNSA-N 436.555 1.572 0 40 IDAB CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 35419336 KDOUAVMQJBGGNL-UHFFFAOYSA-N 431.923 1.637 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)CC1 38946935 GRFRPIBESVQMRF-RTBURBONSA-N 437.537 1.272 0 40 IDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 48287363 BBIGXVVFDDSEJU-OAQYLSRUSA-N 425.533 1.524 0 40 IDAB C[C@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1ccc(S(=O)(=O)N(C)C)cc1 48312326 YDUUGYSJRKTOHL-ZDUSSCGKSA-N 432.477 1.663 0 40 IDAB O=C(NCc1cccc(OCc2ccccn2)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 48367342 AGSGVCBEMWDBAO-HKUYNNGSSA-N 443.525 1.312 0 40 IDAB CCN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23COc2ccccc2C(=O)N3)CC1 72334424 MBWRSSAXSVIGPW-NVQXNPDNSA-N 448.567 1.844 0 40 IDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 216371369 IJVRSURBTCENDM-OAHLLOKOSA-N 448.511 1.872 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2O1 222756798 JSAHMIRHVNEOOP-SFHVURJKSA-N 434.470 1.283 0 40 IDAB CCOC(=O)Nc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 222998318 NMTVIPWEHAGSQZ-UHFFFAOYSA-N 441.531 1.820 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 223894257 XSHKIAJCKONZGB-AWEZNQCLSA-N 440.543 1.597 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@@H]3[C@H]4CCCC[C@H]43)CC1)C2=O 257215703 CRGYLHCGFZAQBR-BWTSREIZSA-N 444.576 1.983 0 40 IDAB COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC 408552427 UAWVDPTYVDRFRH-MHWRWJLKSA-N 434.470 1.906 0 40 IDAB COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 408702708 NTJAABTWJHHZNC-UHFFFAOYSA-N 434.470 1.755 0 40 IDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccc4c(c3)CCC4)CC[C@@H]12)NCCN1CCNC1=O 2056225718 ZQWMAZDOWPEFMH-VSKRKVRLSA-N 426.561 1.544 0 40 IDAB COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363898 FRAFEANRRLCVDB-HNNXBMFYSA-N 442.501 1.710 0 40 IDAB Cc1nnc(SCCn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)s1 6529641 VXJNXUCRGATLNC-LLVKDONJSA-N 435.579 1.622 0 40 IDAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccco1 8995802 UXFSOUTUHAOUSO-VLIAUNLRSA-N 427.457 1.818 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(=O)NC3CCCC3)C2)cc1 9303845 ACNRXIVIPPLBCG-MRXNPFEDSA-N 437.562 1.661 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)n(C)c1=O 9366864 IMVKZTDVJVLYEG-MRXNPFEDSA-N 441.538 1.731 0 40 IDAB O=C(NCc1ccccc1F)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 9807079 BIURROLSXXTIHT-AWEZNQCLSA-N 425.507 1.473 0 40 IDAB O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl)OC[C@H]1CCCO1 9910528 PLODWYGCZPNXQR-IUODEOHRSA-N 439.921 1.267 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 9954300 DBQBEQKPXOMDCA-XMMPIXPASA-N 447.495 1.825 0 40 IDAB O=C(NCc1ccccc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 10219808 DMHMGAGPQIDAJL-UHFFFAOYSA-N 428.445 1.695 0 40 IDAB COC(=O)[C@H](C)O[C@H]1[C@H](NC(C)=O)[C@H](OCc2ccccc2)O[C@H]2COC(C)(C)O[C@@H]21 10382088 OEKDBUGAXUPTRV-GSMYILADSA-N 437.489 1.531 0 40 IDAB Cc1nc2ccccc2n1CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 10737410 QNNCPAWRZLTPGW-UHFFFAOYSA-N 431.518 1.134 0 40 IDAB Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 11866862 UVJYJIYMKNJCGC-SFHVURJKSA-N 438.436 1.409 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2c(C)noc2C)C[C@@H]1C(=O)N(C)C 12125353 KARWTLMUXWXKTJ-JPYJTQIMSA-N 440.500 1.575 0 40 IDAB C[C@@H](NC(=O)c1ccccc1F)C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 12231833 SKFDOCNABYSPPT-LTJFPGKXSA-N 438.459 1.543 0 40 IDAB COc1cccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)c1OC 13512886 KNNHQDKCPJYCIU-BOPFTXTBSA-N 425.441 1.806 0 40 IDAB COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 13567094 OBXUMSDKUCCCSO-UHFFFAOYSA-N 434.514 1.720 0 40 IDAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1cccs1 13731175 UHXOQUNAASLYEN-UHFFFAOYSA-N 444.556 1.734 0 40 IDAB COc1ccc2nc(N3CCN(C(=O)[C@H]4CCCN(S(C)(=O)=O)C4)CC3)sc2c1 13790540 XLRTXVQTSVWEIG-AWEZNQCLSA-N 438.575 1.625 0 40 IDAB Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 17012940 DQANSMGKTNQIRP-UHFFFAOYSA-N 434.541 1.187 0 40 IDAB C[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C 19076936 OTLGGJKPIWALSS-FRRDWIJNSA-N 440.547 1.596 0 40 IDAB CC(C)S(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccnc3)[nH]c2=O)C1 19451112 GLIIHHAHECDMTC-GOSISDBHSA-N 445.545 1.629 0 40 IDAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 23805275 JFMUONDGLKQIKX-HSZRJFAPSA-N 440.475 1.758 0 40 IDAB O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607562 VYLUQLHMNYZZES-UHFFFAOYSA-N 429.970 1.330 0 40 IDAB CC(C)NC(=O)NCc1ccc(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)cc1 32741855 NJBWXFQJDMNXIB-UHFFFAOYSA-N 445.497 1.896 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCOc1ccccc1F 41107706 LJWSXOXCMUOTQP-UHFFFAOYSA-N 438.477 1.421 0 40 IDAB Cc1nc2c(c(C)c1CNC(=O)CNC(=O)c1cccc(Br)c1)c(=O)[nH]n2C 72285510 WNXCPKYWLJORIY-UHFFFAOYSA-N 446.305 1.687 0 40 IDAB CC[C@H](c1ccccc1)N(CC(=O)OC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 95445398 XXVWQTVMOXDBNM-QGZVFWFLSA-N 426.516 1.649 0 40 IDAB C[C@@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@H]1CO 107539891 WJHCSFXGXZPMJZ-MFKMUULPSA-N 426.354 1.634 0 40 IDAB CN(c1cccc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1)S(C)(=O)=O 225001588 ZACBGPKODNRSJF-QGZVFWFLSA-N 425.532 1.654 0 40 IDAB CN(C(=O)CCCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257344496 ZXOKAILVHDLJTH-CBGDNZLLSA-N 433.940 1.321 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@](O)(c2ccoc2)c2ccco2)cc1 390826822 QBGVLVUGWFNMHJ-HXUWFJFHSA-N 430.438 1.740 0 40 IDAB C[C@]1(c2cccc(C(=O)N[C@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)c2)NC(=O)NC1=O 508010028 JDEXMIPTOBIRJO-GAJHUEQPSA-N 448.458 1.884 0 40 IDAB O=C(O)C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1cnn(-c2ccccc2)c1 547933997 XSCURVULYPSGFB-IBGZPJMESA-N 440.481 1.653 0 40 IDAB CNC(=O)[C@H]1CN(C(=O)c2cccc(N3CCOCC3)c2C)CCN1Cc1ccccc1 585261818 QYOPCRJEJSQMRS-HSZRJFAPSA-N 436.556 1.904 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(F)cc4F)C[C@H]23)n1 1549161289 GJZJSOCJRMGIHY-INIZCTEOSA-N 430.415 1.991 0 40 IDAB COc1ccc(S(=O)(=O)N(CCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 919614 IRQXJQWACNNFSH-UHFFFAOYSA-N 446.481 1.491 0 40 IDAB COc1cc(/C=C\C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)O)cc(OC)c1OC 8665517 SAZDGPRWZSXGOK-YVCLZHHMSA-N 436.486 1.357 0 40 IDAB Cc1c(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8764291 CVATZHPMBPCGPH-JKSUJKDBSA-N 435.498 1.022 0 40 IDAB biogenic O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)NC[C@@H]1CCCO1 8862259 OICNNECYDNFYIU-ZDUSSCGKSA-N 441.531 1.236 0 40 IDAB COc1cccc(CCNS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 11978051 RBWUKYGREBAMDP-AWEZNQCLSA-N 438.527 1.529 0 40 IDAB CN1[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCCC3)C[C@H](c2ccco2)NS1(=O)=O 12159770 HGAXFAYZWIHRFV-NEPJUHHUSA-N 438.531 1.537 0 40 IDAB CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc2cc(Cl)ccc2s1 12788626 NXVAXLIOHOAYDM-UHFFFAOYSA-N 432.893 1.750 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)cc1 12944441 BVPSARFAIYDZBC-UHFFFAOYSA-N 428.507 1.966 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC(C)(C)N2CCOCC2)cc1 12976408 XFEPRCWRWOJSDT-IBGZPJMESA-N 425.595 1.915 0 40 IDAB CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 14094710 POKIPGICPSLWML-FQEVSTJZSA-N 429.454 1.258 0 40 IDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 14169588 SHILPIPNNNDQAF-CQSZACIVSA-N 447.469 1.231 0 40 IDAB CCOC(=O)N1CCC(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)CC1 15858238 QRWXJSBQOUNDQX-UHFFFAOYSA-N 443.909 1.757 0 40 IDAB O=S(=O)(c1cccc(F)c1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 15884101 HEACMDCRWIPDKL-UHFFFAOYSA-N 439.476 1.861 0 40 IDAB CC(=O)N1C[C@H](c2ccc(CN(C)C)cc2)[C@@H](C(=O)N2CCN(c3cnccn3)CC2)C1 19699208 JRFAGUQIVMXOSQ-YADHBBJMSA-N 436.560 1.449 0 40 IDAB Cc1nc(C2CCN(C(=O)CN3CCOCC3)CC2)nc2c1CCC(=O)N2CC(C)C 19739525 VNDNWXRAWBTABV-UHFFFAOYSA-N 429.565 1.758 0 40 IDAB CC(=O)Nc1ccc(C(=O)N2CC[C@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)cc1 19757622 PQGBEPYKYRLVRP-SFHVURJKSA-N 437.500 1.846 0 40 IDAB CN(CC(=O)Nc1ccccc1Br)C(=O)CSc1nc(N)cc(N)n1 21105669 LHOYKGNVDHZFBR-UHFFFAOYSA-N 425.312 1.593 0 40 IDAB COc1cccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2cc(C)ccc2OC)c1 25767183 NWCDVOBIGJEYDW-UHFFFAOYSA-N 447.557 1.982 0 40 IDAB C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)C[C@@H](C)O1 31713660 HXWRUWNZHLKBOQ-IYBDPMFKSA-N 449.573 1.615 0 40 IDAB CCOC(=O)N1CCC(NC(=O)Cn2c(O)nc3c(-c4ccccc4)c[nH]c3c2=O)CC1 33037994 TUNYEKBCWZHOKP-UHFFFAOYSA-N 439.472 1.834 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 40135028 MEAFHORBUANOLL-INIZCTEOSA-N 442.563 1.893 0 40 IDAB COC(=O)c1cn([C@@H]2CCCC[C@H]2NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)nn1 40152510 TUDJJWLHMPJTJQ-GDBMZVCRSA-N 446.508 1.262 0 40 IDAB C[C@H](CCc1ccccc1)NC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520608 AODJEXJAPZNKRL-OAHLLOKOSA-N 441.557 1.894 0 40 IDAB COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2cncc(-n3cccn3)n2)CC1 58105669 PDACTUGJNMVQNV-UHFFFAOYSA-N 446.489 1.170 0 40 IDAB Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)n1 72301578 AFZQCQPMBUTQSC-FZKQIMNGSA-N 425.489 1.183 0 40 IDAB O=C1N[C@H](CC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccc21 72338789 BRYDLBSXOGWVGW-WIYYLYMNSA-N 440.525 1.830 0 40 IDAB CCOC[C@@H](O)CN1CCN(C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)CC1 95399142 QLRDJKXQVMASPI-ADXZGYQBSA-N 427.567 1.129 0 40 IDAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)C=C[C@]3(C(OC(C)=O)OC(C)=O)O2)cc1 100339642 MWDJUKCLWRCKSS-YVCBRDFCSA-N 443.408 1.267 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(Br)c3)CC2)cn1C 238950241 WUYIKIHESCJKQT-UHFFFAOYSA-N 442.339 1.423 0 40 IDAB O=C(NC[C@@]1(O)CCN(c2cnccn2)C1)c1ccc(OCCN2CCCCC2)cc1 257206428 BDJPHLJNMLQMPX-QHCPKHFHSA-N 425.533 1.713 0 40 IDAB Cn1cnc(S(=O)(=O)N2CC[C@](Cc3cc(-c4ccc(F)cc4)no3)(C(N)=O)C2)c1 257251571 JRHGHLCTKNIHTO-LJQANCHMSA-N 433.465 1.323 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 585282397 JGPPRIZBZOULJL-RXVVDRJESA-N 444.475 1.125 0 40 IDAB CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2cc(Cl)ccc2OC[C@@H](C)N(C)C1=O 643555126 IPAIFRUOAOHASD-WHCBVINPSA-N 439.896 1.293 0 40 IDAB CC(C)(CC(=O)O)CC(=O)N1Cc2cn(nn2)CC(=O)NCCOc2ccccc2C1 643579203 URHDBZYDNTVXLX-UHFFFAOYSA-N 429.477 1.207 0 40 IDAB O=C(O)COCCOCCOCCOCCOCCNC(=O)OCc1ccccc1 1542984449 JEVLWNSJFGPKCP-UHFFFAOYSA-N 429.466 1.080 0 40 IDAB Cc1cc(C)c(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(O)n1 1616565655 UTSASJRCFPUGBG-KRWDZBQOSA-N 426.521 1.358 0 40 IDAB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)N(CCO)CCO 2694952 BJMSBQKKGCJJAW-UHFFFAOYSA-N 445.566 1.841 0 40 IDAB CCCCCCO[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 4279286 RZSSLCQNNAGTQY-KNJMJIDISA-N 431.482 1.239 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 7425563 PDQNXQOLCGIKEW-INIZCTEOSA-N 427.505 1.408 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnnn1-c1ccccc1 9120448 STPHCZXXEBNIGA-UHFFFAOYSA-N 448.530 1.652 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2OC)n(C)c1=O 9156831 GNSJCJAWSYCHRI-CYBMUJFWSA-N 427.461 1.256 0 40 IDAB Cc1nc2sc(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)c(C)c2c(=O)[nH]1 9244633 YIZUZZUGWKCYLH-UHFFFAOYSA-N 436.471 1.044 0 40 IDAB CCn1cc(C(=O)N[C@H](C(=O)NC(C)(C)CO)C(C)C)c(=O)c2cc3c(cc21)OCO3 9410385 DRXWLGVWIFPQCC-SFHVURJKSA-N 431.489 1.392 0 40 IDAB Cc1ccc(-c2nc(COC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cs2)cc1 9714969 AKNMQAUOHBUTSK-UHFFFAOYSA-N 425.470 1.609 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2cccs2)c1 9807230 AEAPJQBOOXWGNQ-MRXNPFEDSA-N 435.571 1.951 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 12029548 WMOUORYYFLPHAB-QGZVFWFLSA-N 443.543 1.063 0 40 IDAB COCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2Cc2ccc(F)cc2)n(C)c1=O 12232076 YAJIQVBSRSISCF-UHFFFAOYSA-N 440.479 1.841 0 40 IDAB COC(=O)[C@]1(C(F)(F)F)N=C(c2ccc(OC)c(OC)c2)OC(N2CCOCC2)=N1 12371251 FCXBEFQDXBOUGJ-KRWDZBQOSA-N 431.367 1.600 0 40 IDAB COc1ccc(OC)c(CN2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 12762739 RNTLKTDFEKPZJS-UHFFFAOYSA-N 434.518 1.701 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc4sccc4c3=O)CC2)cc1 13097334 ZENKNANVNBHNJY-UHFFFAOYSA-N 432.527 1.300 0 40 IDAB COc1cc(C(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)cc(OC)c1OC 13143536 BYMHOKKWFMROLW-SFHVURJKSA-N 430.501 1.910 0 40 IDAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)cc1 19209761 KBDQQNUPNJBKMH-LJQANCHMSA-N 444.557 1.692 0 40 IDAB COCCNC(=O)CN1CC2(CCC(N3CCOCC3)CC2)Oc2ccccc2C1=O 19593483 SSAGXCPBQPIVBS-UHFFFAOYSA-N 431.533 1.297 0 40 IDAB CC(=O)N[C@H]1C[C@@H](CCNS(=O)(=O)c2cnn(C)c2)O[C@@H](c2cc(F)cc(F)c2)C1 19712414 DGXFCVAHOTVDBU-YQVWRLOYSA-N 442.488 1.792 0 40 IDAB Cc1c([C@H](C)NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)cnn1C 19751246 JMRNCJDPZUUUIF-AWEZNQCLSA-N 425.464 1.837 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccc(F)cc1 20801323 UFCFSQHKQPUTPT-RTBURBONSA-N 425.464 1.749 0 40 IDAB COc1cn(CC(=O)Nc2ccc(C(C)=O)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O 22698545 ZWLLMIFMZNGIIL-UHFFFAOYSA-N 440.500 1.362 0 40 IDAB COc1cc(C(=O)NCC(=O)Nc2cccc(NS(C)(=O)=O)c2)cc(OC)c1OC 23100211 KEIHAUNWGFVRSQ-UHFFFAOYSA-N 437.474 1.452 0 40 IDAB O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 23805078 FKJQYEWLBUXRJE-NRFANRHFSA-N 425.485 1.917 0 40 IDAB O=C1CN(c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cn2)CCN1 27264524 DWSUOMUHFWZDES-INIZCTEOSA-N 425.464 1.648 0 40 IDAB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 31811361 CZPMHCFPELUQCA-LJQANCHMSA-N 438.503 1.639 0 40 IDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 40040149 MPWBSQYKPKEKNB-OLZOCXBDSA-N 445.925 1.518 0 40 IDAB C[C@H]1CN(c2ccc(CNC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cn2)C[C@@H](C)O1 40106839 JSAPIFMNGRSVCF-CALCHBBNSA-N 443.548 1.956 0 40 IDAB COc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(OC)cc3)ccc2=O)cc1 49421683 NIWVYEFSYGZURY-UHFFFAOYSA-N 429.454 1.732 0 40 IDAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCC(O)CC3)cc2c1 57589787 PLVFOISKYFMBNU-NQIIRXRSSA-N 438.532 1.857 0 40 IDAB C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1(Cl)Cl 72273426 NOADYWBKYWXTIX-MRXNPFEDSA-N 448.328 1.434 0 40 IDAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC[C@@H](O)C(F)(F)F 72290287 CXGCJGBRHWBXOW-UONOGXRCSA-N 428.498 1.825 0 40 IDAB CN(C)c1nc([C@@H]2CCN(C(=O)c3cccc(N4CCCCS4(=O)=O)c3)C2)cc(=O)[nH]1 72395216 MSPJVCFDWHSQDI-MRXNPFEDSA-N 445.545 1.396 0 40 IDAB O=C(Nc1ccc(-n2nnn(CC(=O)N3CCOCC3)c2=O)cc1)c1cccc(Cl)c1 77100251 REJKCDYPTUYEBN-UHFFFAOYSA-N 442.863 1.194 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(=O)NCc2nncn2C2CC2)c1 79023692 ZANVYAXJMKZNLB-UHFFFAOYSA-N 448.549 1.515 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)C(=O)NC3CCCC3)C2)cc1 80358324 KHJORIAWKDCXIB-HZPDHXFCSA-N 437.562 1.659 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)NCC(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1 84697489 JTIFLUCFVMZVDN-HNNXBMFYSA-N 427.567 1.609 0 40 IDAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cn2nnc3ccccc3c2=O)C1=O 89917193 LXYQEFQGXDKTGN-SFHVURJKSA-N 428.246 1.979 0 40 IDAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 95451931 XMMLGEXNRUGLCU-OAHLLOKOSA-N 449.504 1.600 0 40 IDAB CC(C)CS(=O)(=O)N1CCC[C@]2(C(=O)N(C)C)CN(Cc3cnn(C)c3)C[C@@H]2C1 96083073 PGPSOEKVYALXRS-QUCCMNQESA-N 425.599 1.008 0 40 IDAB CS[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1N1CCCC1 97163897 XTJIQSKEPABWEI-ZWKOTPCHSA-N 437.587 1.514 0 40 IDAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 104812914 WHPCEMIWRPQORT-JKQORVJESA-N 426.560 1.917 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2ccc(NCCCO)c(C(=O)O)c2)cc1OC 217623053 JGLAPOOXRUIQFW-UHFFFAOYSA-N 438.502 1.717 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 224588871 ZQWJCHKJZDAVGL-UHFFFAOYSA-N 447.557 1.464 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)s1 225761106 CWOVIFGBSPEEJW-UHFFFAOYSA-N 434.496 1.347 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)[C@@H]3[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)nc2C1 247511726 INKFFTWCIDANCQ-FJSWCKRRSA-N 446.573 1.846 0 40 IDAB C[C@H](C(=O)N1CCN2CCC[C@H]2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 253372997 HKGZVATUYKMFGZ-SAHWJRBASA-N 425.533 1.246 0 40 IDAB COc1cnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1 576833176 IHLDTPZXJTXHFO-UHFFFAOYSA-N 427.504 1.362 0 40 IDAB CCOC(CCNC(=O)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1)OCC 2688598 VKKRGZKIQYPYII-CVEARBPZSA-N 441.575 1.886 0 40 IDAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1N 3274975 DKIWUWOTWXYRKP-UHFFFAOYSA-N 434.503 1.046 0 40 IDAB CCOCCCNC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(OC)cc1 4571760 HQYZSBFOQJWGJZ-NRFANRHFSA-N 427.501 1.825 0 40 IDAB COCCCNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6198564 JNXOFIKOAVNVDK-UHFFFAOYSA-N 434.562 1.574 0 40 IDAB CC(=O)c1ccc(N2CCN(c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)CC2)cc1 8666627 NBKZLZUCVDAKRQ-UHFFFAOYSA-N 443.573 1.547 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@H](CCC(=O)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 8790767 HRLBJLBAUIJCAE-WKVINZIJSA-N 447.491 1.823 0 40 IDAB biogenic Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9349423 ANQNRQPJEBRKJQ-JFLGTBITSA-N 431.518 1.174 0 40 IDAB CC(C)CN1C(=O)NC(=O)[C@@]2(Cc3c(nc4ccccn4c3=O)N3CCCCC[C@@H]32)C1=O 9448852 SFSFCPFIULJWDS-MWTRTKDXSA-N 437.500 1.720 0 40 IDAB CCCCn1c(CN2CCC[C@@H](C(N)=O)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 9953492 UZWGNDXWHOTUIF-QGZVFWFLSA-N 438.532 1.432 0 40 IDAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 12238851 BFVUDDHAECWTNI-KRWDZBQOSA-N 444.561 1.735 0 40 IDAB CCOc1ccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1 13566743 DMEFNLUYJJVBRA-UHFFFAOYSA-N 432.502 1.680 0 40 IDAB COc1ccccc1N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 15343524 HALLNUFSCPRGKX-UHFFFAOYSA-N 433.530 1.917 0 40 IDAB CC(C)NC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@@]12Cc1ccccc1C(=O)N2 19449798 CNHVRDWUQCTIEA-WATLYSKOSA-N 434.540 1.264 0 40 IDAB CCCN1C(=O)N[C@H](CCC(=O)N2CCC[C@@H](c3c(C)c(=O)nc4n3CCC4)C2)C1=O 19502559 DMPHIRCBRFGVHB-HZPDHXFCSA-N 429.521 1.315 0 40 IDAB CC(=O)NCc1cnc2cc(C)nn2c1[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCO1 19704737 CPAWRQOWADQDCU-GOSISDBHSA-N 447.492 1.575 0 40 IDAB CCOC(=O)[C@]1(Cc2ccc(O)cc2)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@@H]21 20150422 CLJUXOSYNIMXSO-QPXQOZNCSA-N 426.444 1.951 0 40 IDAB COc1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)NCCN3CCOCC3)no2)cc1 20504015 LJSHVWYTIUBOQC-PMACEKPBSA-N 442.560 1.957 0 40 IDAB biogenic,in-vitro CCOc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 21150142 JPPGUCCBFTUOPS-UHFFFAOYSA-N 442.545 1.876 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCN1C(=O)CCC1=O 21598128 VMLMUTAIZYBSHA-UHFFFAOYSA-N 425.507 1.593 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)NCc1ccccc1 21891099 WFEIMKXTDIARNM-UHFFFAOYSA-N 427.448 1.727 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCCCN1CCOCC1 22249053 DOHOYKHOLKPCQC-UHFFFAOYSA-N 447.985 1.588 0 40 IDAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 22790596 GJGXTUBASDWZRY-UHFFFAOYSA-N 447.536 1.028 0 40 IDAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 22795508 WNDXJHFBBBZHBW-IBGZPJMESA-N 440.500 1.467 0 40 IDAB CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 35580968 UDRIHXBXCAHQGU-ZFWWWQNUSA-N 439.472 1.614 0 40 IDAB COc1ccc(OC)c(N2CCN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2=O)c1 49391384 VTLGYCPKMWELSM-UHFFFAOYSA-N 442.472 1.523 0 40 IDAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccn(CC(N)=O)n3)ccc2Cl)C1 57997242 OUGRFYFOQWIOFI-LBPRGKRZSA-N 439.925 1.695 0 40 IDAB O=C(CN1CCN(CC(=O)NCCC2=CCCCC2)CC(O)C1)NCCC1=CCCCC1 89817933 QDHWXISIRDWNIT-UHFFFAOYSA-N 446.636 1.978 0 40 IDAB COc1cccc2sc(OC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc12 90594236 BMNXRRJOLYHZNG-UHFFFAOYSA-N 425.532 1.566 0 40 IDAB COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2cc(OC)c(O)c(OC)c2)o1 96221079 QIQVMESXYZZHRG-OAHLLOKOSA-N 449.456 1.595 0 40 IDAB biogenic COc1ccc(S(=O)(=O)NCc2nc(-c3cccs3)no2)cc1N1C(=O)CCC1=O 225423146 KIYUIYQZARQEGV-UHFFFAOYSA-N 448.482 1.939 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1 225600073 UXOXNMZFVJSGDP-UHFFFAOYSA-N 440.547 1.314 0 40 IDAB CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CNCC3=O)CC1 253406489 UPRUANRJIFBMHV-WXXRXALHSA-N 426.561 1.354 0 40 IDAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCN(C(=O)CNC(C)=O)C4)nc32)cc1 257225724 FHLRKAJONPHFJW-KRWDZBQOSA-N 437.500 1.335 0 40 IDAB Cc1occc1C(=O)N1CCc2nc3n(c(=O)c2C1)CC[C@]31CCN(C(=O)NC(C)C)C1 306124783 BZJNOQWHHUZMDV-QHCPKHFHSA-N 439.516 1.808 0 40 IDAB O=C(NCCCCCO)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710138 PXCAOGFYJJFMRD-UHFFFAOYSA-N 427.457 1.563 0 40 IDAB CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@H](C)CC)cc2)CC1 409193182 DSCQAUBHZKJZCV-OAHLLOKOSA-N 426.535 1.944 0 40 IDAB CC[C@H](C)N(CC(=O)CN([C@H](C)CC)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 575420646 DDZNBEBCVUINIO-USTZCAOPSA-N 436.640 1.131 0 40 IDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O 575424977 DCOJDXWOHFALSB-IRXDYDNUSA-N 439.511 1.042 0 40 IDAB CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)CCCc1nnc2cccnn12 604405937 UJYJQKPHGSNIJV-INIZCTEOSA-N 438.488 1.164 0 40 IDAB biogenic COCCN1C(=O)CN(C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)C1=O 824411984 ZOXFMJFMHGGPRF-UHFFFAOYSA-N 437.562 1.984 0 40 IDAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 3350757 HNDXUALNYDCEQO-HXUWFJFHSA-N 445.516 1.632 0 40 IDAB COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)CC2 3418029 DKBYBFAOCSSOEH-UHFFFAOYSA-N 433.530 1.951 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC(=O)Nc1ccc(C)cc1C 3433499 CJTKNMGPXDQOLE-UHFFFAOYSA-N 435.458 1.465 0 40 IDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 3437740 QTUHCZIWUPVKKH-FQEVSTJZSA-N 434.518 1.520 0 40 IDAB O=C(C[C@@H]1CCS(=O)(=O)C1)OCCCN1C(=O)c2ccc(Br)cc2C1=O 8763855 NVQZAASFFMGAGA-NSHDSACASA-N 444.303 1.803 0 40 IDAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCO2 9373607 FMJNBXCSDIUYDK-UHFFFAOYSA-N 440.499 1.280 0 40 IDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(OCCN2CCCCC2)cc1 9421554 UNSCVHYYXCVCEJ-UHFFFAOYSA-N 436.516 1.849 0 40 IDAB O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9576365 FQWQIEKNVDYZTF-OAQYLSRUSA-N 448.479 1.680 0 40 IDAB O=C(NCCCc1ccccc1)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 9806961 DQAHRALWNACSFD-KRWDZBQOSA-N 435.571 1.766 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@H](c3nc4ccccc4s3)C1)c(=O)n2C 9950064 QVRVKFUBPOTMHO-ZDUSSCGKSA-N 438.513 1.450 0 40 IDAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 11555672 XGJZNPHWLSNHMF-UHFFFAOYSA-N 447.513 1.335 0 40 IDAB Nc1c(C(=O)CNc2ccccc2C(=O)NCc2ccccc2)c(=O)[nH]c(=O)n1C1CC1 12543693 VAUWSMKWQTYDSR-UHFFFAOYSA-N 433.468 1.679 0 40 IDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1ccc(N2CCCC2=O)cc1 12825421 MACQJXAUOQPHHM-UHFFFAOYSA-N 439.516 1.291 0 40 IDAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12984718 KIRBQHJXNUBYPQ-UHFFFAOYSA-N 425.938 1.923 0 40 IDAB CN1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)n2c(=O)[nH]c3ccccc3c2=O)CC1 13593654 NXCBMQBUNMDVLW-OAQYLSRUSA-N 431.496 1.729 0 40 IDAB O=C(NCC(=O)N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13690923 ZOWYKLADLCGJMD-UHFFFAOYSA-N 427.954 1.869 0 40 IDAB O=C(CCCN1C(=O)CNC1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 14228390 YVDFDFOKSJMKPO-UHFFFAOYSA-N 444.513 1.005 0 40 IDAB CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c1 15856645 PLWGSVBBRNCHAK-CYBMUJFWSA-N 445.497 1.904 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 16024525 AFTUVLJUYFUBFM-PUFAWVJESA-N 449.507 1.619 0 40 IDAB CNS(=O)(=O)c1ccc(F)c(C(=O)NCCc2nc(C)ncc2-c2ccncc2)c1 19286944 LGUONHPKAIOKID-UHFFFAOYSA-N 429.477 1.867 0 40 IDAB O=C(COC(=O)CCn1c(=O)oc2ccccc21)NCC(=O)Nc1ccc(F)c(F)c1 19355579 JQKHZCZBQADRRR-UHFFFAOYSA-N 433.367 1.561 0 40 IDAB Cc1ccc(OCC(=O)NCCNC(=O)c2nc(Cn3cc(Cl)cn3)no2)c(C)c1 21454391 XOUKLAADUZJDEV-UHFFFAOYSA-N 432.868 1.510 0 40 IDAB COCCCNC(=O)CN1CCN(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)CC1 22915250 UVCRPZJXXAFVCZ-SHUWCMERSA-N 434.625 1.478 0 40 IDAB COCOC(=O)[C@@H]1N2C(=O)[C@@H](N3C(=O)[C@@H](c4ccc(O)cc4)NC3(C)C)[C@H]2SC1(C)C 30691206 XMNFWSAYWSUJMH-ZXFNITATSA-N 449.529 1.179 0 40 IDAB in-man CC(C)N(C(=O)Cn1c(=O)ncc2c1cnn2[C@@H]1CCS(=O)(=O)C1)c1ccccc1 32642193 PLGVNTDPGJAPMR-MRXNPFEDSA-N 429.502 1.394 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)cc1 40105241 GHBQAHARFCYLPK-UHFFFAOYSA-N 428.514 1.671 0 40 IDAB CN1CCN(Cc2ccc(CNC(=O)c3ccc(=O)n(Cc4ccccc4)n3)cc2)CC1 58183106 GJZPBTRPFMZACL-UHFFFAOYSA-N 431.540 1.969 0 40 IDAB C[C@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cc[nH]n4)CC3)n2)C1 72335944 HWDKOABJNWTDIV-AWEZNQCLSA-N 432.550 1.859 0 40 IDAB COc1ccc(CC(=O)N2CCN(Cc3ccccc3)C[C@](O)(Cn3cncn3)C2)cc1 72354486 TUWDRZPYNZNVNP-XMMPIXPASA-N 435.528 1.605 0 40 IDAB Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)n1 77196915 GLTGIMAHRABJEN-LJQANCHMSA-N 448.527 1.832 0 40 IDAB O=C(NCC1(O)CCC2(CC1)OCCO2)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 78968621 VTGVGVPSQXOFCG-LJQANCHMSA-N 446.544 1.859 0 40 IDAB Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NS(=O)(=O)c2cc(F)ccc2F)c1 89702538 ORJPMJSQFFGHIY-UHFFFAOYSA-N 428.442 1.907 0 40 IDAB COc1cccc(CC(=O)N2CCc3nc(N4CCOCC4)nc(N(C)C)c3CC2)c1 96254899 AARMPNCRAVRXKI-UHFFFAOYSA-N 425.533 1.558 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222603776 IRIQYDQBAKMZDI-AWEZNQCLSA-N 439.484 1.894 0 40 IDAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 223671803 KPODTHRTHRIHPH-UHFFFAOYSA-N 426.516 1.657 0 40 IDAB C[C@@H](C(=O)NCCOc1ccc(F)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224114723 KFZDZHBXQFUGRQ-AWEZNQCLSA-N 438.477 1.947 0 40 IDAB COC(=O)c1cc(NC(=O)[C@@](C)(NS(C)(=O)=O)c2ccc(F)cc2)cnc1OC 225958845 LGUGDRPOYYLEKR-SFHVURJKSA-N 425.438 1.419 0 40 IDAB C[C@]1(O)COC2(CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)C[C@@H]1n1ccc(O)nc1=O 257255798 KIWWQZZIQSYZGG-UWJYYQICSA-N 439.472 1.213 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3cc(C)n(-c4ccccc4)n3)[C@H]2O)CC1 257330889 XQLBDKRQJYGNBK-CEMLEFRQSA-N 425.533 1.357 0 40 IDAB CN1C[C@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(C(=O)c3ccn(C)n3)CC2)C1 306131926 KTHHFSOYCKCYFK-HXUWFJFHSA-N 425.533 1.384 0 40 IDAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCCN1CCOCC1 408592761 LPYAKWWWRADDSA-UHFFFAOYSA-N 447.557 1.301 0 40 IDAB COc1cc(CN[C@@H]2C[C@@H](O)CN(C(C)=O)C[C@H]2O)ccc1OCCN1CCC(C)CC1 585273049 OVSSKCYFRLNIMP-YPAWHYETSA-N 449.592 1.238 0 40 IDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)n1 678884414 IODAFKSPRLNUHW-DNVCBOLYSA-N 434.522 1.445 0 40 IDAB O=C(c1ccccc1OC(F)F)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332243275 XGHORAVZWOMOQD-AWEZNQCLSA-N 430.473 1.392 0 40 IDAB O=C([C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCOCCOCCOCC1 859444 CFGJWTJLHBJPQJ-OAQYLSRUSA-N 438.480 1.916 0 40 IDAB Cc1ccc(Cn2c(SCC(=O)NC(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 930483 JTWJZJNQNUUXME-UHFFFAOYSA-N 429.546 1.797 0 40 IDAB O=C(CNC(=O)c1ccccc1)NCC(=O)OCC(=O)c1ccc(Br)cc1 1846384 BNGKFDQJHVWQPL-UHFFFAOYSA-N 433.258 1.721 0 40 IDAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NC[C@@H]1COc2ccccc2O1 9056173 MPXMYQGOGJSOQQ-OAHLLOKOSA-N 449.554 1.914 0 40 IDAB Cn1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 9097059 XFDRBAFEFRITAT-UHFFFAOYSA-N 430.943 1.769 0 40 IDAB Cc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCOCC1 9399187 SKCDRLPIWWXVNJ-KRWDZBQOSA-N 432.498 1.586 0 40 IDAB CCNC(=O)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 9645871 HIZGRHXLDSKKKI-GFCCVEGCSA-N 435.468 1.747 0 40 IDAB COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCOCC1 10030926 OUSQSPHUILAGED-UHFFFAOYSA-N 444.469 1.205 0 40 IDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)c1ccc3c(c1)NC(=O)CO3)C2=O 10761967 QTVDSTIGLFTFKV-LAJNKCICSA-N 429.429 1.244 0 40 IDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 11508747 TYUYESMDCRJPMW-UHFFFAOYSA-N 425.485 1.948 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2cnc(C)cn2)C[C@@H]1C(=O)N(C)C 12125297 GYYGJZRSPAPAGS-JPYJTQIMSA-N 437.500 1.069 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2ccccc2)O[C@@H]2CO[C@H](c3ccco3)O[C@H]2[C@@H]1OCC(=O)O 12901069 AGSMHSDKZICECP-HNMUMZIOSA-N 433.413 1.472 0 40 IDAB biogenic C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCCc2ccccc21 12972481 ZNTFBNQRJXOMFS-GDBMZVCRSA-N 447.513 1.063 0 40 IDAB O=C(CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)NCc1ccc(Cl)cc1 13037969 ITZPJRIQCKONBS-HXUWFJFHSA-N 429.904 1.940 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)Cc1nc(=O)c2ccccc2[nH]1 13072812 SJFGINXQSJUJGZ-UHFFFAOYSA-N 443.529 1.552 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N[C@H](CO)c1ccccc1 13721227 FXQVMMOLMZYWLL-AZUAARDMSA-N 445.541 1.053 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)c1 14019424 OHMZPJZZCVPMFL-UHFFFAOYSA-N 433.530 1.472 0 40 IDAB Cc1ccccc1NC(=O)[C@H](C)NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 16039911 SOJAAJNZOAFWND-UFDDZYLRSA-N 434.489 1.835 0 40 IDAB biogenic O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1cccc2nsnc12 19077170 SADSZOMCKOGJJY-UHFFFAOYSA-N 435.506 1.775 0 40 IDAB O=C(NCCN1CCOCC1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22908046 RTQKQJQPCISAFK-HXUWFJFHSA-N 442.585 1.412 0 40 IDAB Cc1cc(C)cc(C(=O)N2CCN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1 23147681 JYQNUKKXWOYGDI-UHFFFAOYSA-N 430.530 1.347 0 40 IDAB O=C(CCn1cnc2ccc(Br)cc2c1=O)NCC(=O)NCc1ccco1 26949140 CZTUSMIZZXCKNE-UHFFFAOYSA-N 433.262 1.575 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 32997846 JOLIGBAUSPFZQA-HSZRJFAPSA-N 431.452 1.275 0 40 IDAB COc1cc(C(=O)NCCN2CCS(=O)(=O)CC2)ccc1OCc1cscn1 40088549 GOYGROTUKKIMHB-UHFFFAOYSA-N 425.532 1.191 0 40 IDAB CN(C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1ccccc1 58179572 ZAIAHUHWHRZZHU-GOSISDBHSA-N 432.546 1.777 0 40 IDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)C[C@@H]3SC(=O)N(C)C3=O)CC2)n1 72337134 LNYMYYKVGVCAPJ-HNNXBMFYSA-N 433.534 1.412 0 40 IDAB CN1CCN(CCCNC(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3cccnc3N2)CC1 72342625 OBGJYBUURDAWIC-WRGFRKCQSA-N 440.592 1.513 0 40 IDAB COc1ccc(OC)c(-c2cc(C(=O)NCC3CCN(S(C)(=O)=O)CC3)n(C)n2)c1 77200895 NJNNLYHOCVVULL-UHFFFAOYSA-N 436.534 1.506 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 100697245 SJWDWGSGUKIIHK-IAGOWNOFSA-N 441.484 1.768 0 40 IDAB COc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 222710123 LVHHESYMFGHXAT-UHFFFAOYSA-N 434.514 1.754 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 225194473 QWCDZGHDQWWHAV-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCCN1CCOCC1 225211112 YBUWHCFIBSVJRM-UHFFFAOYSA-N 428.580 1.098 0 40 IDAB Cc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCCN2CCOCC2)n1 225905280 MSOIVEWKGFLSMO-UHFFFAOYSA-N 441.605 1.730 0 40 IDAB O=C(NC1CC1)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)[C@H]13 245230835 ZWWNKLNYFSHSJN-VWUIQGKGSA-N 435.524 1.675 0 40 IDAB CN(Cc1ccccn1)C(=O)[C@@H]1CN(CC2CC2)C[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)O1 306125546 CTSJCSGIHQYAFO-ZFGGDYGUSA-N 442.560 1.301 0 40 IDAB COc1cc([C@H](c2n(C)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc(OC)c1O 524733830 SVNOSLVVVVKVNP-HNNXBMFYSA-N 434.445 1.582 0 40 IDAB COc1ccc([C@@H](CC(=O)NCCCN2CCN(C)CC2)c2oc(C)cc(=O)c2O)cc1 1547139178 LBQTYBKZAJKWPP-HXUWFJFHSA-N 443.544 1.938 0 40 IDAB biogenic CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1Cl 824782 KFRDKTVPPITICP-JTQLQIEISA-N 428.276 1.602 0 40 IDAB biogenic Cc1ccc2c(c1)[C@@]1(N[C@H](CCC(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 2129172 YJTFAPLZYSXKBF-HMSHQKHKSA-N 433.464 1.780 0 40 IDAB biogenic CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CCN(C)C2 2725188 YFVPPKHNHBZBAP-UHFFFAOYSA-N 436.559 1.598 0 40 IDAB CCOc1ncccc1C(=O)N(CCS(=O)(=O)N1CCOCC1)Cc1ccncc1 8991750 ULVUPKMXAXETNN-UHFFFAOYSA-N 434.518 1.180 0 40 IDAB COc1ccc2c(CC(=O)OCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)coc2c1 9127908 ARKDIVKPEHFJOF-UHFFFAOYSA-N 443.456 1.509 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCC(C)CC2)c2c(C(N)=O)nc(-c3ccc(F)cc3)nc21 12276790 JHZAFTREHINZHO-UHFFFAOYSA-N 440.479 1.776 0 40 IDAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)ccc12 12660764 MAQWCHLPIMCYTG-LRDDRELGSA-N 432.477 1.345 0 40 IDAB biogenic C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 12865042 IZSVJILAPNDIHA-GASCZTMLSA-N 435.999 1.869 0 40 IDAB COc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2=O)cc1OC 16913706 SAJNTHMNENYYNQ-HNNXBMFYSA-N 447.513 1.489 0 40 IDAB CN1C[C@@H](c2cc(N(C)C)nc(C3CCN(C(=O)CN4CCCCC4)CC3)n2)CC1=O 19697517 GYJLQMUMFMDCNG-SFHVURJKSA-N 428.581 1.680 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C[C@@H]3CCCCO3)C1)C2=O 19699587 YCCLEHXIAOHVPH-ROUUACIJSA-N 448.564 1.506 0 40 IDAB CSCC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 20572624 RHYOENXZKCWYKI-DMMAATOQSA-N 449.960 1.993 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)CC1 22246317 GMQKCRCXKLACMX-FQEVSTJZSA-N 445.541 1.877 0 40 IDAB COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)c1 22766154 HYCXSWXRFOHZNW-GOSISDBHSA-N 432.546 1.809 0 40 IDAB O=C(CN1CCS(=O)(=O)CC1)OCc1nc(-c2cccc(Br)c2)no1 32928521 TUNUVFUSFLZAEU-UHFFFAOYSA-N 430.280 1.273 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)CC1 34863180 PPWBSDWJPXUGAB-UHFFFAOYSA-N 446.548 1.724 0 40 IDAB COc1ccccc1-c1c2c(=O)n(CCCN3CCN(C)CC3)ccc2nc2ncnn12 40398207 GJUZSVFIXDUJNF-UHFFFAOYSA-N 433.516 1.752 0 40 IDAB CC1CCC(N(C)C(=O)CN(CCO)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1 48302844 LCBBZVGULYGDEL-UHFFFAOYSA-N 443.548 1.003 0 40 IDAB COc1ccccc1N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 57364732 LPTCBXZWUMOULS-UHFFFAOYSA-N 428.558 1.863 0 40 IDAB NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OCC(F)(F)F)nc1 79107469 PMOHWPQDCSACKQ-HNNXBMFYSA-N 438.406 1.355 0 40 IDAB O=C(CN1CCN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1)Nc1ccc(F)cc1 95352949 SUMKPUWFAHJUCZ-KDURUIRLSA-N 442.491 1.250 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC[C@H]3COCC[C@H]32)c1 95415669 POHXRZKVUVEXIM-PKOBYXMFSA-N 437.562 1.474 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CSCN2C(=O)/C=C/c2ccccc2)cc1 97124283 INSSLJLWSJNWSU-UFUQCMIWSA-N 445.566 1.608 0 40 IDAB COC(=O)[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2O1 222881563 IYGVIABCPXEVPD-IBGZPJMESA-N 432.498 1.837 0 40 IDAB Cc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 224491831 VJQSBZNPPBXOOI-UHFFFAOYSA-N 448.541 1.898 0 40 IDAB COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O 524729054 ARKAUXOWBLLZPQ-SFHVURJKSA-N 430.457 1.323 0 40 IDAB biogenic CC(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2=O)CC1)N1CCCC1=O 533604012 XJSCHKPQCGHIMD-MCEIDBOGSA-N 448.608 1.824 0 40 IDAB CCN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(-n4nnnc4C)cc3)cc2)CC1 1531972452 HXEXGLPDQZFTKQ-UHFFFAOYSA-N 433.516 1.930 0 40 IDAB Cn1cc(-c2ccc3c(c2)NC(=O)CN2CCN(C(=O)c4cncnc4)C[C@H]2CO3)cn1 1772594517 ICCVVTFOCSIJGF-SFHVURJKSA-N 433.472 1.035 0 40 IDAB C[C@H]1OC2(C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CN(C)C1=O 1888982172 UYDUNUHUFFRATH-PPLWWYMTSA-N 435.502 1.063 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(NCCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 4038239 SDELGVUQATWUIA-SFHVURJKSA-N 449.511 1.826 0 40 IDAB aggregator CC(=O)OC[C@@H]1O[C@@H](n2c(Br)nc3c(N)ncnc32)[C@H]2OC(C)(C)O[C@H]12 4823703 SPIGLDZVEURWTD-ZLGIUQBVSA-N 428.243 1.152 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1c(C)nc2ccccc2c1=O 8825678 CDKXMQZAAJMSRV-UHFFFAOYSA-N 430.486 1.603 0 40 IDAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21 9001240 BRGPTIULNZCASR-UHFFFAOYSA-N 431.452 1.957 0 40 IDAB COCCn1c(-c2ccc(Br)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9126750 AAMFOMOWGCDYSF-UHFFFAOYSA-N 432.278 1.762 0 40 IDAB CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 9172560 CVDGFPUMYBJKOX-UHFFFAOYSA-N 425.463 1.299 0 40 IDAB Cc1c(NC(=O)CSc2nnc(-c3cccnc3)n2N)c(=O)n(-c2ccccc2)n1C 9507467 PIFYTZCTRJXYDD-UHFFFAOYSA-N 436.501 1.583 0 40 IDAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 9549029 QICKTKYPIMHBIM-QVKFZJNVSA-N 445.497 1.378 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)CC1 9599837 RBLPXKNLKJQQHB-UHFFFAOYSA-N 427.490 1.579 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCCC2=CCCCC2)cc1 9806703 TUZIXLYMHGRFHT-GOSISDBHSA-N 449.573 1.971 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 10337448 FWTZJXIYRLBAFS-UHFFFAOYSA-N 441.506 1.513 0 40 IDAB CC(C)NC(=O)Cn1nc2n(CC(=O)N3[C@@H](C)CCC[C@H]3C)c3ccccc3n2c1=O 12117721 HMHZIMYBDKVUJZ-IYBDPMFKSA-N 426.521 1.765 0 40 IDAB CCOC(=O)C1=C(CSc2nc(N)cc(=O)[nH]2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 12412592 SERWYQFBOORPLN-INIZCTEOSA-N 445.457 1.044 0 40 IDAB Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1S(=O)(=O)N(C)C 12562889 NKQMHRTUNRFPDO-UHFFFAOYSA-N 432.531 1.952 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(CCC(=O)NC(=O)NC(C)(C)C)CC2)c1 12773661 KHIXQWXWWNDKRH-UHFFFAOYSA-N 438.550 1.210 0 40 IDAB CCOC(=O)C(NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)C(=O)OCC 12975215 SZYKTRNCAGVKBH-UHFFFAOYSA-N 449.510 1.798 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1cccc(Cl)c1 13640134 UZFVUFJOAJVKQP-SJORKVTESA-N 442.907 1.658 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1Br 15524876 WZMMQZLLDDNBEC-UHFFFAOYSA-N 432.340 1.043 0 40 IDAB CC(C)[C@@H](NC(=O)CN1CCC(NS(C)(=O)=O)CC1)c1ccc2c(c1)OCCCO2 15524957 AWDRUJGHRRSQJV-OAQYLSRUSA-N 439.578 1.675 0 40 IDAB CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)O 15956458 GLNCOTXYXGERHA-MPBGBICISA-N 444.484 1.701 0 40 IDAB biogenic CCOC(=O)c1sc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)c(C(=O)OCC)c1C 16847832 RGUXJCHJIFPMDF-LLVKDONJSA-N 432.520 1.772 0 40 IDAB O=C(C[C@@H]1CCCCO1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339516 YOLNVQXMWBOMAB-MOPGFXCFSA-N 437.544 1.998 0 40 IDAB CCS(=O)(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699966 UHOMVTSGLJRSLK-LJQANCHMSA-N 448.589 1.430 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCCO 20009393 UNQCTUFQOUAIDI-MRXNPFEDSA-N 426.922 1.737 0 40 IDAB Cc1csc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCCC3)n1 20604881 NHQBMNJAPUGIQN-UHFFFAOYSA-N 449.602 1.950 0 40 IDAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCOCC2)cc1 23106928 WCTZFFJSRLOQAJ-LJQANCHMSA-N 425.485 1.894 0 40 IDAB O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 35096659 UBUUKFYNWAOISX-OAQYLSRUSA-N 431.558 1.415 0 40 IDAB NC(=O)CCN(C(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)c1ccccc1 40012714 UQALCXIQFUSDOZ-MRXNPFEDSA-N 440.525 1.756 0 40 IDAB CS(=O)(=O)c1ccc(N2CCC(NC(=O)c3ccccc3)CC2)c(S(C)(=O)=O)c1 48287853 OFDRHNMMHHGGJE-UHFFFAOYSA-N 436.555 1.892 0 40 IDAB COCCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945563 GBHGYESPTACPNY-IBGZPJMESA-N 432.496 1.551 0 40 IDAB O=C(C[C@H](CN1CCN(CC(=O)N2CCCC2)CC1)C(=O)O)Nc1ccc(Cl)cc1 71279130 HRJHNYDJXNOCMF-MRXNPFEDSA-N 436.940 1.609 0 40 IDAB CC[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CCS1 72305285 GNLLWXJLTHKOGU-SFHVURJKSA-N 439.603 1.550 0 40 IDAB CCc1cc2c(=O)n(CC(=O)N[C@@H](CC)Cn3c(=O)oc4cccnc43)cnc2s1 72324984 PKBUCYVBZQVIRW-LBPRGKRZSA-N 427.486 1.918 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)C3[C@H]4CCCC[C@H]34)nc2C1 100238120 LSJXOPXAXGBVDD-GRDNDAEWSA-N 434.562 1.990 0 40 IDAB CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c1 224314841 YLISXBOKWUZOCL-UHFFFAOYSA-N 435.550 1.851 0 40 IDAB Cc1noc(-c2ccn3c(CNC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)nnc3c2)n1 225744433 LWKQAMVXPKLUPM-UHFFFAOYSA-N 441.473 1.268 0 40 IDAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1cnc(O)n(C)c1=O 501150792 OBUCEUUEPTYEPD-QGZVFWFLSA-N 427.436 1.641 0 40 IDAB CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1 502597336 ULZROXUVKKSSTH-SFHVURJKSA-N 434.566 1.929 0 40 IDAB O=S1(=O)C[C@@H](O)[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)C1 575424651 VATLUVPAMMUSQP-HZPDHXFCSA-N 446.344 1.802 0 40 IDAB CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CCN1CCO 682009287 SVCXFJSZVOYCLZ-INIZCTEOSA-N 425.476 1.808 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(Cc1ccn(C)n1)C2 1549168889 ZQQHNCDEMPGJRL-OAQYLSRUSA-N 437.544 1.481 0 40 IDAB Nc1c(I)cc(C[C@@H](N)C(=O)O)cc1I 4513900 XVRWUAYKWQYHII-SSDOTTSWSA-N 431.999 1.432 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3ccccc3)CC1)n2Cc1ccccc1F 9001535 UGWXHXRZNHNYPW-UHFFFAOYSA-N 434.475 1.937 0 40 IDAB NC(=O)c1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 9643478 CSGLFGKRNUVJML-QGZVFWFLSA-N 434.456 1.574 0 40 IDAB Nc1c(C(=O)CSc2nnc(NCc3ccccc3)s2)c(=O)[nH]c(=O)n1C1CC1 9712732 IGYCDHPSVUUIFZ-UHFFFAOYSA-N 430.515 1.892 0 40 IDAB COc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 9806994 RTLUSZJOVHJTOI-OAHLLOKOSA-N 437.543 1.342 0 40 IDAB C[C@H]1C[C@H](Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C(=O)O1 9871019 KMBMWDXHEFUZNW-FZMZJTMJSA-N 425.488 1.554 0 40 IDAB Cc1nn(CC(=O)NCCNC(=O)c2nc(-c3ccccc3)no2)c(C)c1Br 15081991 HDSGYWUKGUWINY-UHFFFAOYSA-N 447.293 1.859 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c2=O)C1 19520465 JBLWYESVFQMGCF-SFHVURJKSA-N 448.520 1.984 0 40 IDAB CS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 19573376 IRZCMUWCYRHPNL-MRXNPFEDSA-N 438.509 1.794 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccc(OC)cc3)[nH]c(=O)c2C1 19592902 CUTNZSSDIKMIIJ-LJQANCHMSA-N 440.500 1.677 0 40 IDAB CCS(=O)(=O)N(C)Cc1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 19700814 RDCCFEUOUAAYQP-AWEZNQCLSA-N 435.525 1.984 0 40 IDAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 19928916 AQELIBDQZOPTDG-UHFFFAOYSA-N 441.619 1.648 0 40 IDAB COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC 22227632 MVKDKRDUPWHPEX-UHFFFAOYSA-N 442.559 1.912 0 40 IDAB Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4cc(C(N)=O)n(C)c4)CC3)ccc2o1 23055308 NYHJLODFGDDDMO-UHFFFAOYSA-N 445.501 1.613 0 40 IDAB CN(C)[C@@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccsc1 23133228 XIOLOGABOGDALZ-KRWDZBQOSA-N 438.575 1.147 0 40 IDAB CC(C)N(C(=O)Cn1c(=O)ncc2c1cnn2[C@H]1CCS(=O)(=O)C1)c1ccccc1 32642196 PLGVNTDPGJAPMR-INIZCTEOSA-N 429.502 1.394 0 40 IDAB O=C1C(=O)N(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C(=O)N1Cc1cccs1 32811012 OJBQRFKUTUUHAA-UHFFFAOYSA-N 440.525 1.749 0 40 IDAB O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccccn3)CN21)NCc1ccc(F)cc1 35442263 VSAYKOZSSJTVIK-HBMCJLEFSA-N 425.508 1.348 0 40 IDAB biogenic,in-vitro COc1ccccc1N1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)CC1 38836251 SXFUAYZPWDNWBS-OAQYLSRUSA-N 445.541 1.879 0 40 IDAB CNC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 40152030 KDHBRBMYGNBVLH-IBGZPJMESA-N 427.482 1.975 0 40 IDAB C[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(S(C)(=O)=O)cc1 44857173 UFZJADVORDVSEZ-UGSOOPFHSA-N 438.527 1.495 0 40 IDAB CN(C)CCn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cn1 58167445 FHDSLCQNTFRGIJ-UHFFFAOYSA-N 445.589 1.973 0 40 IDAB COc1ccc(N2C(=O)CN(Cc3ccc(OC)c(OC)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 63376380 MAOYCCSILAQNLG-OALUTQOASA-N 446.525 1.727 0 40 IDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@@H](c1cccs1)N1CCOCC1)C2=O 68783166 OMBTXRBPJZOEOW-CKJXQJPGSA-N 434.562 1.738 0 40 IDAB C[C@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103926859 FWFYTZRIEGTEQO-DNCCFGNJSA-N 447.557 1.988 0 40 IDAB COCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 113935776 PGIGWMDWSAKIMD-UHFFFAOYSA-N 426.466 1.801 0 40 IDAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 223254341 AXXGYUCZLLHNCG-FQEVSTJZSA-N 447.557 1.273 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 224220986 LPZASUVHEHTVFI-UHFFFAOYSA-N 442.515 1.065 0 40 IDAB CC(=O)NCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 257205250 AYFHZMPHDZMTAG-HTDNTCHWSA-N 441.503 1.386 0 40 IDAB COc1ccc(CCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408703100 DPGZASOOTSNWDJ-OAHLLOKOSA-N 434.514 1.980 0 40 IDAB Cn1c(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc2ccccc21 533377382 NVPZRRZEYWQING-UHFFFAOYSA-N 441.513 1.411 0 40 IDAB CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 615447107 XXYNCHZDWJVQJB-HNNXBMFYSA-N 445.488 1.387 0 40 IDAB C[C@@]1(c2ccc(CNCc3ccc(OCCN4CCOCC4)cc3)cc2)NC(=O)NC1=O 1656290690 OBSOLQLRLCUNKM-DEOSSOPVSA-N 438.528 1.742 0 40 IDAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)Nc1ccccc1Cl)CC2 1772595472 ZVQNKWZMVRASIZ-GOSISDBHSA-N 435.956 1.769 0 40 IDAB Cc1nnc2ccc(N3CCCN(S(=O)(=O)c4ccc5c(c4)CCC(=O)N5)CC3)nn12 1775967124 GOGHICYEEDXOAJ-UHFFFAOYSA-N 441.517 1.218 0 40 IDAB Cc1ccccc1OC[C@@H](O)Cn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 850882 JSUGBGWTSFJOGI-KRWDZBQOSA-N 435.484 1.784 0 40 IDAB biogenic COC(=O)C1=CN2[C@@H](C=C1)[C@](C#N)(C(N)=O)[C@@H](c1ccc(Br)cc1)[C@@H]2C(C)=O 1073595 VHFCSBCOOHCAMV-BOSXTWCSSA-N 444.285 1.796 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](n2cnc3[nH]c(=S)[nH]c(=S)c32)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4879174 WDKGFQFLEBLBAV-CKRXIKOQSA-N 442.475 1.475 0 40 IDAB O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccccc1 6551250 OIHDHKMRSFWVKK-UHFFFAOYSA-N 441.509 1.903 0 40 IDAB CCOC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(N(C(=O)C(C)C)S(C)(=O)=O)cc12 8753902 IGDCZVBBDKGZBY-UHFFFAOYSA-N 444.531 1.883 0 40 IDAB CN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 8825441 XXXXGPOTUZJQDI-FQEVSTJZSA-N 439.493 1.740 0 40 IDAB Cc1ccc(NC(=O)CSc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 9295613 XEEPPUDINGYVIS-UHFFFAOYSA-N 430.534 1.584 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@H]1CCS(=O)(=O)C1 9430029 XJDPSTHQIMPKBG-GRRFOWRYSA-N 426.491 1.898 0 40 IDAB CCOC(=O)N1CCN(C(=O)C(=O)Nc2sc3c(c2C(=O)O)CC(C)(C)OC3)CC1 9435424 KOFRNRJMKWZBMR-UHFFFAOYSA-N 439.490 1.537 0 40 IDAB COc1ccc(NC(=O)Cn2ccn(S(=O)(=O)c3ccc(C)cc3)c2=O)c(OC)c1 9660472 OOYGUGFKYFAJSP-UHFFFAOYSA-N 431.470 1.851 0 40 IDAB CCOc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc5c(c4)OCO5)c3n2)c1O 9739488 CWBPLKVBYMZKNS-UHFFFAOYSA-N 435.396 1.708 0 40 IDAB COCCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 9827553 IUSWKZVJUMAZRI-UHFFFAOYSA-N 446.451 1.888 0 40 IDAB CN1CCN(n2c3c(c(SCC(=O)NCc4ccccc4)nc2=O)CCCC3)CC1 10255173 NDNBLJGRXPISSR-UHFFFAOYSA-N 427.574 1.414 0 40 IDAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)nn2c1O 12154123 IPAKGPDUOJFWGH-PBHICJAKSA-N 435.550 1.088 0 40 IDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)C1 12635332 NHFPCQDLLBQOFG-OAHLLOKOSA-N 444.575 1.871 0 40 IDAB COc1ccc(OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 12686136 BOQSSUVIFXMCHL-UHFFFAOYSA-N 436.486 1.742 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)CSCC(=O)Nc1cc(C)on1)OCO2 13002597 BAOAYAPMTDNXFO-UHFFFAOYSA-N 449.441 1.768 0 40 IDAB Cc1c(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 13628421 SMQCJKQDZFQTHC-IRXDYDNUSA-N 445.493 1.543 0 40 IDAB COc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)c(OC)c1 14084475 IRBNXFLCFIHNST-XUWVNRHRSA-N 434.489 1.624 0 40 IDAB O=c1c2c(nc3sc(SCCN4CCOCC4)nn13)CCN(C[C@@H]1CCCO1)C2 15414112 OXIMROOXNIFNIS-AWEZNQCLSA-N 437.591 1.112 0 40 IDAB O=C(CN1CCCCC1)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 19369377 KDIJCEHDTUNANU-FQEVSTJZSA-N 425.533 1.492 0 40 IDAB CCN(CC)CC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 19692634 RAXLMMGTRBGTGZ-LJQANCHMSA-N 440.548 1.550 0 40 IDAB CC(C)OCC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 19693048 KOMCOTBGZXVENO-GOSISDBHSA-N 427.505 1.633 0 40 IDAB CC(=O)N1CCC(N2CCO[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)CC1 19696221 UFLFAFNEEQNYED-KRWDZBQOSA-N 432.546 1.403 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1 35311634 OMYLWAITTSQNLW-UHFFFAOYSA-N 429.608 1.966 0 40 IDAB COc1ccc(OCCN2CC(=O)N(c3ccc(OC)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 36592921 MSRXSRSKVDILFW-SFTDATJTSA-N 446.525 1.597 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1)C(=O)OC 36593423 GJWFEFWVJNGEPG-VQIMIIECSA-N 430.461 1.570 0 40 IDAB biogenic CC(C)(C)OC(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 48288736 NZLQKFCFNBEPAZ-UHFFFAOYSA-N 432.564 1.987 0 40 IDAB Cn1cc(C(=O)NC2CCN(C(=O)Nc3cccc(Cn4cccnc4=O)c3)CC2)cn1 58067082 IDZFPGQKEIXXMI-UHFFFAOYSA-N 435.488 1.451 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)o2)CC1 62022965 AMMFKNZUFWBKGU-AWEZNQCLSA-N 433.490 1.200 0 40 IDAB COc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NC(C)C)CC4)c3CO2)cc1 97943653 GNXARYSNERJMJD-LJQANCHMSA-N 427.505 1.935 0 40 IDAB NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 104845708 AQTXQMDMTDVYHA-BREDGVMVSA-N 438.871 1.531 0 40 IDAB Cc1cc(OC2CCN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)CC2)cc(=O)n1C 217779606 KOJOFOXZILTJFO-UHFFFAOYSA-N 433.486 1.371 0 40 IDAB COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1 225604228 JCOGHZZJLOFKEY-UHFFFAOYSA-N 432.502 1.153 0 40 IDAB Cc1cn([C@H]2CCN(C(=O)CCCc3nc4ccccc4n3C)C[C@]2(C)O)c(O)nc1=O 257226600 FLHXVGYQRPVMHV-MBSDFSHPSA-N 439.516 1.691 0 40 IDAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)NCc1nc2ccccc2n1C 257304037 SJUZYLBAIFSVSH-NRFANRHFSA-N 434.544 1.122 0 40 IDAB CCOc1cc(CN2CC[C@](O)(CN3CCOCC3)C2)ccc1OCCN1CCOCC1 585270869 CAVGYPBLPWQSJB-DEOSSOPVSA-N 449.592 1.065 0 40 IDAB CCN(C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 3559273 MMUOWOXQUKAQBP-LJQANCHMSA-N 431.510 1.501 0 40 IDAB O=C(CSc1nnnn1Cc1ccco1)N1CCN(C(=O)Nc2ccccc2)CC1 11682933 BYIKQXCLCWIOOC-UHFFFAOYSA-N 427.490 1.783 0 40 IDAB CC1(C)NC(=O)N(CCC(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O 12802912 RDORYWHXAIKICU-QGZVFWFLSA-N 428.489 1.514 0 40 IDAB CCC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 13016169 BWLDIPFIUUVVCU-LBPRGKRZSA-N 432.340 1.197 0 40 IDAB CCCC1(CCC)NC(=O)N(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O 13061494 DJMOBNJGNVVVBR-UHFFFAOYSA-N 436.578 1.982 0 40 IDAB CC(C)CN(C(=O)CSc1ncccn1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14069288 PWQHUXANOYIVJW-UHFFFAOYSA-N 440.529 1.738 0 40 IDAB COc1ccc(C(=O)OCC(=O)Nc2ccnn2C(C)C)cc1S(=O)(=O)NC1CC1 14084042 QFVGLUUQTCJMLG-UHFFFAOYSA-N 436.490 1.709 0 40 IDAB C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCN(Cc2ccccc2)CC1 14675871 LHFLFMOKNBVBDT-GOSISDBHSA-N 449.507 1.949 0 40 IDAB O=C(CN1CCN(c2ccccn2)CC1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 15403655 IDSCCRAXVKGASN-FQEVSTJZSA-N 428.558 1.420 0 40 IDAB Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 16010027 NWPDCQTUHRNAIP-DYXJYMTDSA-N 444.919 1.577 0 40 IDAB COC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc(C(=O)OC)c1 16309321 ZQLIOMHVBZKTTJ-UHFFFAOYSA-N 434.470 1.827 0 40 IDAB O=C(Cn1cnc2c(cnn2[C@H]2CCS(=O)(=O)C2)c1=O)Nc1ccc(F)c(Cl)c1 16849859 UGXDKXPAWODXIC-NSHDSACASA-N 439.856 1.384 0 40 IDAB COCCn1nnnc1[C@@H](c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19594053 GLUSAUIWHCBMJD-JOCHJYFZSA-N 436.516 1.955 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@@H]3CC34CCC4)CC1)C2=O 19699386 VYSYKBAKMLLYDD-KRWDZBQOSA-N 430.549 1.737 0 40 IDAB O=C(NCCN1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1)c1ccco1 27282747 SSTALOWCFAUOOQ-UHFFFAOYSA-N 429.452 1.928 0 40 IDAB C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N[C@H]1CCS(=O)(=O)C1 32091732 LGYCCHKDXTXMJL-JSGCOSHPSA-N 432.527 1.509 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)N(C)[C@@H](C)c1ccccc1 32557338 MRQMCGAEHOAQDK-HNNXBMFYSA-N 444.484 1.863 0 40 IDAB NS(=O)(=O)c1ccc(OCCOC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 32745260 WGIGCEGPXZKRJX-UHFFFAOYSA-N 435.454 1.690 0 40 IDAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 32908699 AYEDXGHYSNYXJB-UHFFFAOYSA-N 443.533 1.072 0 40 IDAB CCOC(=O)[C@H]1CSCCN1C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 33016192 MEBJLBHZODOIDA-VGOFRKELSA-N 445.541 1.883 0 40 IDAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)o2)CC1 33016743 KQCNCXWHCGJZEL-UHFFFAOYSA-N 436.465 1.849 0 40 IDAB COC(=O)C1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)CC1 44914706 CSKSGVULNFDYSU-GOSISDBHSA-N 438.546 1.923 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1 48291094 FJCOHBOMEGKKDV-HXUWFJFHSA-N 446.573 1.394 0 40 IDAB CCOc1cc([C@H]2NC(=O)NC(CN3CCC4(CC3)OCCO4)=C2C(=O)OC)ccc1O 67285628 ZDWAXFREKVSDLO-LJQANCHMSA-N 447.488 1.411 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCN(c4ccccn4)CC3)CC2)Nc2ccccc21 72325945 QUBOUAYLGBIQST-DEOSSOPVSA-N 448.527 1.295 0 40 IDAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)CN[C@@H]2C=CS(=O)(=O)C2)CC1 72397041 XLMSTZNZSJVTLO-MRXNPFEDSA-N 446.504 1.079 0 40 IDAB CC(C)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)C(=O)O 80358385 RSBSMAQWXADQET-BXUZGUMPSA-N 426.520 1.317 0 40 IDAB CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 89486499 RTWFVKRXDUAMRB-GFCCVEGCSA-N 444.510 1.108 0 40 IDAB COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccc(N4CCOC4=O)cc3)C2)cc1 95454935 XQBPEHAXUZVOMX-UHFFFAOYSA-N 446.485 1.846 0 40 IDAB COc1cc([C@@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc2c1OCCO2 96115268 NTXWDLQVBZUHLP-OAHLLOKOSA-N 431.441 1.814 0 40 IDAB biogenic CCn1cc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(=O)NCCc2ccccc2)n1 101591495 VGNJGQZJUASWAM-XSLAGTTESA-N 426.473 1.692 0 40 IDAB COc1ccc([C@@H](CNc2c(N3CCN(C(C)=O)CC3)c(=O)c2=O)N2CCCC2)cc1 101703555 UREFVOYFDMBFFR-LJQANCHMSA-N 426.517 1.209 0 40 IDAB COc1ccc(CN(C)C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC 216356291 AZGYUBMRJKJHNX-UHFFFAOYSA-N 436.486 1.857 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222514105 PPEQLDJLGLWEFY-ZDUSSCGKSA-N 449.916 1.648 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 223670583 DZZJDPHUKFAPFN-UHFFFAOYSA-N 446.572 1.921 0 40 IDAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224467790 PFAHGEYCSVXUAT-SFHVURJKSA-N 448.541 1.978 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2sc(N(C)S(C)(=O)=O)nc2C)c1 225880098 HREGAIFDZNBUGZ-UHFFFAOYSA-N 432.549 1.316 0 40 IDAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408666065 SBVWIGYYARFSAP-SLUIBLPYSA-N 440.452 1.542 0 40 IDAB O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1cnc(O)c2ccccc12 530330839 WZNJVNXURZQPFI-MRXNPFEDSA-N 434.500 1.966 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3CCC(Oc4ncc(-c5cnn(C)c5)cn4)CC3)nc2n1 1889258631 BKYWJKZCWRCKPF-UHFFFAOYSA-N 433.476 1.615 0 40 IDAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332243195 QRGJETVBURGDDM-INIZCTEOSA-N 448.463 1.689 0 40 IDAB CCN(C(=O)CN1CCCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 2627961 DIBWYWURVAVCHM-UHFFFAOYSA-N 433.512 1.973 0 40 IDAB O=S(=O)(c1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1)N1CCOCC1 3211802 HOOCPWROUKOPRU-HXUWFJFHSA-N 432.542 1.506 0 40 IDAB O=S(=O)(Cc1ccccc1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccco4)n3)CO[C@H]12 5433931 RQPXLBQQLDDQGE-RAUXBKROSA-N 442.497 1.803 0 40 IDAB biogenic,in-vitro Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)sc2nc3n(c(=O)c12)CCC3 8762693 BUSAUWVAKCHSQT-LLVKDONJSA-N 440.481 1.996 0 40 IDAB CC[C@@H](CO)Nc1nc2c(c(=O)n(Cc3ccc(Cl)cc3Cl)c(=O)n2C)n1C 8926174 IYEQLNLQUHIZCN-LBPRGKRZSA-N 426.304 1.972 0 40 IDAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC1CCCCC1 9128384 KCADHEAMFYPTPG-MRXNPFEDSA-N 438.546 1.949 0 40 IDAB CCn1c(CN2C(=O)C(=O)N(C3CCCC3)C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 9439193 WTYXTPFHZCVBID-UHFFFAOYSA-N 447.517 1.540 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@@H](c2ccc(O)c(OC)c2)n2nnnc2N1 10232073 YQVMRACUPLJQLN-QGZVFWFLSA-N 425.376 1.851 0 40 IDAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)C[C@@H]2CCCO2)CC1 12230016 FRVLGJZLKANTBO-KRWDZBQOSA-N 431.518 1.249 0 40 IDAB O=C(NCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)NCc1ccccc1 12930076 NHQAIJBRWJTTFI-UHFFFAOYSA-N 430.530 1.160 0 40 IDAB COc1cc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)cc(OC)c1OC 13143535 BYMHOKKWFMROLW-GOSISDBHSA-N 430.501 1.910 0 40 IDAB Cc1ccccc1[C@@H]1N=C(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)N=C(N)N1 13578935 DIUGBKVPJIODAJ-INIZCTEOSA-N 432.531 1.287 0 40 IDAB CC(C)CCc1c(O)nc(SCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)[nH]c1=O 15955560 RRPZKGOVHLYLHU-CABCVRRESA-N 444.557 1.964 0 40 IDAB biogenic COc1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1S(=O)(=O)N1CCOCC1 16044315 JCKJZTBYJQFLTL-UHFFFAOYSA-N 448.423 1.570 0 40 IDAB COc1cccc(C(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)c1OC 17012517 UYUMVEMDKPHNJR-UHFFFAOYSA-N 440.548 1.516 0 40 IDAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc(O)c4c(n3)CCN(S(C)(=O)=O)C4)C2)cc1 19135214 RNYYURRQVIJFEZ-MRXNPFEDSA-N 430.530 1.828 0 40 IDAB Cc1ccc(NC(=O)Cn2c(=O)c3c(C(=O)N4CCCCC4)cc(C)nc3n(C)c2=O)cc1 19625685 SKTDLWZXTBODPH-UHFFFAOYSA-N 449.511 1.977 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CN3CCCC[C@@H]3C)C1)C2=O 19699749 GDJHDJXXQZMCPA-ROUUACIJSA-N 447.580 1.175 0 40 IDAB CCOC(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)CC1 20354931 QRPQGJVDPLEIIA-UHFFFAOYSA-N 440.504 1.054 0 40 IDAB Cc1ccc(CNC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1 22385507 WLNMUOSTQLGELB-UHFFFAOYSA-N 439.559 1.328 0 40 IDAB COCCn1c(N)c(C(=O)CSc2nc3ccccc3n2CC(C)C)c(=O)[nH]c1=O 25043674 ZKICKAOETYYPLG-UHFFFAOYSA-N 431.518 1.746 0 40 IDAB CC(C)C(=O)NCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 25083383 LLDCKYPYXLJBCR-OAHLLOKOSA-N 446.367 1.491 0 40 IDAB C[C@H](OC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(=O)N1CCNC1=O 32774425 URNYFTCXXJCVHM-SFYZADRCSA-N 428.228 1.461 0 40 IDAB COc1ccc(OCCN2CC(=O)N(c3cccc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 36080500 MSVMODRYBHBVSK-LEWJYISDSA-N 430.526 1.897 0 40 IDAB Cc1nn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)nc2s1 36398275 JIYCIUSMSRWPAT-UHFFFAOYSA-N 445.979 1.681 0 40 IDAB COC(CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)OC 56945506 ZAYJTKUROGIAAD-SFHVURJKSA-N 448.495 1.133 0 40 IDAB Cc1c(NC(=O)[C@@H]2COCC(=O)N2Cc2cccs2)c(=O)n(-c2ccccc2)n1C 90608511 OPMJVAMJAQHTIL-KRWDZBQOSA-N 426.498 1.912 0 40 IDAB COCCN1[C@H]2CCN(C(=O)Cc3ccccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145810 FAPJCUAOYZGUAV-OALUTQOASA-N 445.541 1.713 0 40 IDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)c(F)c3)C(=O)[C@H]21)Nc1ccc2c(c1)OCO2 101169293 GOEJWZSECZPHNV-IRXDYDNUSA-N 429.339 1.625 0 40 IDAB Cc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)C2=O)cc1 101312699 UCOUGHNJGNQGCD-RXVVDRJESA-N 435.480 1.611 0 40 IDAB O=C(CCc1ccc(F)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224496224 DXGUJXSKTOWKTI-UHFFFAOYSA-N 436.505 1.974 0 40 IDAB COc1cccc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 224714279 JMWYXQIXLZYQJN-UHFFFAOYSA-N 447.557 1.610 0 40 IDAB Cc1c(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)c(=O)n(-c2ccccc2)n1C 245053686 PGDFYOMNZHCJOJ-UHFFFAOYSA-N 430.472 1.535 0 40 IDAB Cc1ncc2n1C[C@@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]1CCc3cnc(C)n3C1)CC2 520629460 MXQGETDGZTXSBJ-HDICACEKSA-N 426.565 1.780 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CCn1c(=O)nc(O)c3ccccc31)CC2 523725003 SSPPNCLIUWHHJS-UHFFFAOYSA-N 442.497 1.332 0 40 IDAB Cc1nc(C(=O)N2CCC3(CC2)O[C@H](C(=O)N2CCOCC2)Cn2ccnc23)cs1 2055793416 ATHWDPBYFWSQOM-INIZCTEOSA-N 431.518 1.037 0 40 IDAB CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1 5734792 FAVCUUQOZGVLMI-AQNXPRMDSA-N 433.417 1.298 0 40 IDAB CCC(CC)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1OC 8680898 DIGCBLLMYZQBFW-UHFFFAOYSA-N 428.507 1.634 0 40 IDAB CCN1c2nc3ccccn3c(=O)c2C[C@]2(C(=O)NC(=O)N(C3CCCCC3)C2=O)[C@@H]1C 9109521 TWTCQJURLIHJPQ-LFVRLGFBSA-N 437.500 1.863 0 40 IDAB NC(=O)Nc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 9144722 NHISCFFWTPEBEL-SFHVURJKSA-N 445.497 1.550 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)CSc2cccc3cccc(Cl)c23)c(=O)n(C)c1=O 9510338 SRRCXFCKDUYGRL-UHFFFAOYSA-N 447.900 1.991 0 40 IDAB CC(=O)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)c2C(N)=O)C1 11025907 YCCZVGDNQCKJOU-UHFFFAOYSA-N 449.554 1.863 0 40 IDAB COc1ccc(OC)c(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1 11858291 PVBAHAQZDMNMQQ-UHFFFAOYSA-N 440.499 1.880 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1 12593591 DYDXCSINTIVHPB-VAWYXSNFSA-N 437.518 1.587 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](Oc2cccc(C)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 12655524 TVVBZWZUAIZRAV-YMQHIKHWSA-N 438.429 1.457 0 40 IDAB biogenic COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1nc2nccc(C)n2n1 13017662 DCLQVOHMFONBIA-UHFFFAOYSA-N 430.490 1.868 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 13108015 ZNDWTIRYSIBARN-INIZCTEOSA-N 447.513 1.261 0 40 IDAB CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2n2nnnc12)N1CCOCC1 13513733 JSVSEFZSCOXDHQ-SFHVURJKSA-N 437.508 1.839 0 40 IDAB CC(=O)Nc1ccc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@@H]1CN(c3ccccc3)CCN21 18155848 DVWJOYXFWMOIMC-IBGZPJMESA-N 433.468 1.249 0 40 IDAB O=C(Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN12)N1CCOc2ccccc21 19375609 IVPIMVFPFXCIEN-UHFFFAOYSA-N 436.859 1.693 0 40 IDAB COc1ccc([C@H]2CN(S(C)(=O)=O)[C@@H]3CCN(C(=O)Cc4ccccn4)C[C@H]23)cc1 19557636 BBQXQCYBMWIOLM-NJDAHSKKSA-N 429.542 1.909 0 40 IDAB O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)c2c(nc(N3CCOCC3)[nH]c2=O)N1 19961117 HWXOHFQLESURJK-SECBINFHSA-N 438.271 1.978 0 40 IDAB Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)N1CCCC1 20416262 YGJNMJAYWMQSBR-UHFFFAOYSA-N 427.527 1.635 0 40 IDAB CCN(CC)C(=O)CSc1nnc(CN(c2ccc(F)cc2)S(C)(=O)=O)n1C 20416299 TZSGQSBKMWZUOB-UHFFFAOYSA-N 429.543 1.881 0 40 IDAB Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1CCc1ccccc1 20504028 BBPZATNVPJCDQC-UHFFFAOYSA-N 436.516 1.033 0 40 IDAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCCN2CCOCC2)cc1OC 20733805 WPSRXEYTZIKZED-UHFFFAOYSA-N 442.516 1.445 0 40 IDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)o1 20745339 NWRLGUSJHJRCGV-CQSZACIVSA-N 434.290 1.937 0 40 IDAB C[C@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 24973323 SUMKUPUXVCIVSP-LLVKDONJSA-N 435.333 1.240 0 40 IDAB C[C@@H]1Cc2cc(S(=O)(=O)NCCN3CCOCC3)ccc2N1C(=O)c1ccccc1 28207170 IOSAJTDKLDCGQA-QGZVFWFLSA-N 429.542 1.889 0 40 IDAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 32983210 YKLIJXROCFXXET-IMAOXBOFSA-N 436.464 1.982 0 40 IDAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)Nc3ccc(N(C)C)cc3)c2=O)CC1 49409106 GNFMAHYZZFOOAE-UHFFFAOYSA-N 432.546 1.974 0 40 IDAB COc1ccc(N2C(=O)CN(Cc3ccc(OC)c(OC)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 63376382 MAOYCCSILAQNLG-MOPGFXCFSA-N 446.525 1.727 0 40 IDAB CC1CCN(C(=O)Cn2nc3n(Cc4ccco4)c(=O)c4sccc4n3c2=O)CC1 65305553 YKDTVHAXNAOWHF-UHFFFAOYSA-N 427.486 1.772 0 40 IDAB C[C@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)CN1CCOCC1 72306616 UEMJKBZVKVZLFW-LIRRHRJNSA-N 440.338 1.001 0 40 IDAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)CCn2cccn2)CC1 72335844 NOEYVEQGPLFOCL-UHFFFAOYSA-N 440.529 1.935 0 40 IDAB O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 72348189 UALWSOUECROHRS-UHFFFAOYSA-N 431.924 1.690 0 40 IDAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3nccnc3N)C2=O)cc1OC 96936657 JLSZPJFZUZZNOD-RVDMUPIBSA-N 443.485 1.932 0 40 IDAB CCOC(=O)[C@H](N)CS[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O 100749712 NXQCKDNMDMGVKK-VXGBXAGGSA-N 448.282 1.547 0 40 IDAB CC[C@H](C(=O)NCCN1CCOCC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220696382 SJHHGFDWMLAHCW-MRXNPFEDSA-N 438.377 1.986 0 40 IDAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-n2cnnc2)c1C 223681088 ZAEPSYUKILSABO-MOPGFXCFSA-N 425.518 1.938 0 40 IDAB COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1C 224269237 FIUKEDPMNRTAAU-UHFFFAOYSA-N 442.559 1.920 0 40 IDAB O=C(CCNS(=O)(=O)c1c(F)cccc1F)N1CC(n2cc(-c3ccccc3)nn2)C1 225662222 OEKKPYJUDCQCSW-UHFFFAOYSA-N 447.467 1.975 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)N2CCOCC2)cc1 257286998 PNZIDGHSSPANPN-GOSISDBHSA-N 434.518 1.807 0 40 IDAB CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)[C@@H](N)Cc1ccc(O)cc1 257341512 ZKRGSVGFEUHFMC-IBGZPJMESA-N 435.528 1.695 0 40 IDAB Cn1ccc(C(=O)N2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccn2)C3=O)n1 306123249 AIKQIUTZIWYXHT-WMZHIEFXSA-N 432.484 1.248 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(C(=O)c1ccncc1)C2 1549166467 DYOIZBCHUXMVAQ-OAQYLSRUSA-N 448.523 1.783 0 40 IDAB COc1ccccc1S(=O)(=O)N[C@H]1CO[C@@]2(CCCN(c3ncnc4[nH]cnc34)C2)C1 2056225716 ZNWARMZCLKVRNM-VLIAUNLRSA-N 444.517 1.468 0 40 IDAB COc1ccc(F)c(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4ncc(C)cn4)C3)C2)c1 2056226583 VLHJZDYPGCVLEW-DENIHFKCSA-N 430.480 1.609 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccncc3)cc2)nn1 2756711 ISJAFFGSXFMBKZ-UHFFFAOYSA-N 444.498 1.808 0 40 IDAB Cn1c(N)c(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(=O)n(C)c1=O 3352334 XMJZYLMXGRMOJU-UHFFFAOYSA-N 449.496 1.284 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 3365032 OZIBQXBHPLCJKX-HNNXBMFYSA-N 425.507 1.316 0 40 IDAB CCCCCN1C(=O)NC(=O)[C@]2(Cc3c(nc4ccccn4c3=O)N(CC)[C@@H]2C)C1=O 8739120 GSJPVWMHGHBZSS-JLCFBVMHSA-N 425.489 1.720 0 40 IDAB O=C([C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)c2ccccc2O1)N1CCOCC1 9743051 DPSWFESFZSWUOF-QGZVFWFLSA-N 440.481 1.111 0 40 IDAB COc1ccc(CCN2C[C@@H](C(=O)OCC(=O)NC(=O)NC(C)(C)C)CC2=O)cc1OC 12531930 JZIQJNXXBFXUFA-HNNXBMFYSA-N 449.504 1.262 0 40 IDAB O=C(CCn1c(=O)oc2ccccc21)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12891327 ZDYPKJRYUPRCOG-HXUWFJFHSA-N 437.452 1.495 0 40 IDAB COCCOC(=O)c1c(NC(=O)CSc2nnc(N)s2)sc(C(N)=O)c1C 14013899 RWZZAVQIDSZOQN-UHFFFAOYSA-N 431.521 1.123 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 19592899 UFUSUFFRQRRVLF-SFHVURJKSA-N 428.464 1.808 0 40 IDAB CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCCN3CCOCC3)cc2c1 19822907 XWZYPOGEOWIJME-UHFFFAOYSA-N 432.590 1.482 0 40 IDAB CCOC(=O)c1c(N)/c(=C\c2ccco2)c2n1C(=O)[C@H](c1ccco1)SC=2C(=O)OC 20029220 GFSRMWVBCSPMFF-JICACKBISA-N 442.449 1.671 0 40 IDAB CCN1CCN([C@H](c2cc3cc(C)cc(C)c3[nH]c2=O)c2nnnn2CCOC)CC1 20083092 MBHDLZCDRAHWLK-HXUWFJFHSA-N 425.537 1.505 0 40 IDAB CCN1CCN(CCNC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)CC1 20117015 LABRZYJPPZHDEK-UHFFFAOYSA-N 449.555 1.300 0 40 IDAB c1cncc([C@H]2N=C3NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)c1 20638644 RDMRMWLBHTXNHI-NRFANRHFSA-N 432.532 1.697 0 40 IDAB O[C@@H](COC[C@@H]1COc2ccccc2O1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22030652 GUHDTWDLNKNVAW-WOJBJXKFSA-N 442.512 1.750 0 40 IDAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCOCC2)cc1 22503290 OHMALYGTOKXHIE-HNNXBMFYSA-N 448.497 1.900 0 40 IDAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)oc2ccccc12 24839740 FCDAGGHKISQXMP-UHFFFAOYSA-N 430.486 1.325 0 40 IDAB CN(C)C(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)CC1 25051638 UKHDOMYYALRJHQ-UHFFFAOYSA-N 446.552 1.744 0 40 IDAB COc1ccc2[nH]cc(CCNC(=O)[C@@H](C)NC(=O)Cc3n[nH]c(=O)c4ccccc34)c2c1 25076871 VJXXBNBPIODEQX-CQSZACIVSA-N 447.495 1.819 0 40 IDAB COc1cc(OC)cc([C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2nccn2C)c1 32848068 YSXYDCQTGWEHCC-SFHVURJKSA-N 443.485 1.675 0 40 IDAB CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nn(CC(=O)Nc4ccccc4)c(=O)n3c2c1 38486838 UUHHAYZRHWKLHS-CQSZACIVSA-N 448.483 1.515 0 40 IDAB O=c1c(Cl)c(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cnn1-c1nc2ccccc2[nH]1 53517407 YDTHAWUMFNPCSD-ZDUSSCGKSA-N 448.936 1.071 0 40 IDAB Cc1c([C@H]2C[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)N(C)S(=O)(=O)N2)cnn1C 57730480 JLROMDGKMIGZFX-CABCVRRESA-N 447.439 1.845 0 40 IDAB CNC(=O)c1cccnc1N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 78903754 AEWHNMGZSZBUAF-UHFFFAOYSA-N 445.364 1.776 0 40 IDAB CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)OCC(=O)N1CCc2sccc2C1 95995837 OMGYVJYOCZCPPT-CYBMUJFWSA-N 425.507 1.335 0 40 IDAB COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 216598096 LDYIHPBPQXJLCA-MTXNFPGFSA-N 433.464 1.281 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222622357 IWFKTZANSDNNMP-MRXNPFEDSA-N 435.521 1.918 0 40 IDAB Cc1ccccc1OCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224427798 GZXBTYPZOKSYOF-UHFFFAOYSA-N 434.514 1.590 0 40 IDAB Cc1ccc(C2=NN(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)[C@H](C(=O)O)C2)cc1 256028053 QRQZAQXATBRMOB-FDIDWWNZSA-N 432.465 1.542 0 40 IDAB Cn1nccc1C(=O)N1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccc(F)cc1)C2=O 306139026 SNLFWPHRZQCCGA-YKSBVNFPSA-N 449.486 1.992 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408668590 VDRFUJQPRXRLBQ-YXUGBTPSSA-N 428.441 1.376 0 40 IDAB CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)CC)ccc12 2160523 GOGWDOJDMKROOJ-YUNKPMOVSA-N 432.473 1.774 0 40 IDAB biogenic NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(Br)cc2)cc1 2634984 MMJYQMIDKOQABR-UHFFFAOYSA-N 426.292 1.143 0 40 IDAB COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(CC(=O)C(C)(C)C)c(=O)n1C 5252134 BVOPLEGICTXUDV-UHFFFAOYSA-N 425.489 1.981 0 40 IDAB Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 8903425 HGEQXUBQWMYMCL-UHFFFAOYSA-N 435.322 1.811 0 40 IDAB CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1 9292951 SROZKBGJUUQCEK-GOSISDBHSA-N 449.511 1.510 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1cccnc1 9421940 UYEVHGYNSUIHHQ-MRXNPFEDSA-N 434.493 1.054 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)NC(=O)N[C@H]1C 9579519 CIIHJRJJHGHUGI-UONOGXRCSA-N 445.472 1.418 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3CCCCCC3=O)CC2)cc1 12907319 HLDQRTUDJUTPTG-UHFFFAOYSA-N 436.578 1.804 0 40 IDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 13116027 QXDSXKHNPZKJNE-QKFKETGDSA-N 434.452 1.980 0 40 IDAB COc1ccc(N(CC(=O)NCCCN(C)C)S(=O)(=O)c2ccccc2)cc1OC 13646790 RBDJACPNLZWKAN-UHFFFAOYSA-N 435.546 1.967 0 40 IDAB Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)n1 15032795 GILZJIPWODULFU-INIZCTEOSA-N 446.577 1.705 0 40 IDAB Cc1ccc(C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c2ccc(C)cc2)cc1 18032221 SYCFMQUQEHDYDY-UHFFFAOYSA-N 426.469 1.940 0 40 IDAB Cc1cc(N2CCCC2)ccc1NC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 18218746 MNYXQJQWSLJLSH-UHFFFAOYSA-N 430.896 1.634 0 40 IDAB Cn1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)c2cccs2)C3)n1 19290940 UZSUVTRQEJODST-INIZCTEOSA-N 438.513 1.741 0 40 IDAB CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)nc2c1CCN(C(C)=O)C2 19707096 NIEAGUNYYGUJRN-IBGZPJMESA-N 445.545 1.957 0 40 IDAB CNC(=O)c1cnc([C@H]2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3F)C2)nc1C 19757482 QJXZHMFIQDYEBS-ZDUSSCGKSA-N 449.508 1.164 0 40 IDAB CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc([C@H]2CCCN2C)n1 19760741 PNKAZKRFXGVUDI-GOSISDBHSA-N 444.561 1.990 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1nc(N)nc(Nc3ccccc3)n1)C2=O 20067420 INWUYZYDBFASQN-LRTDBIEQSA-N 439.476 1.741 0 40 IDAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F)C(=O)OC 20720578 YFZDEDFEWYXBAY-YJBOKZPZSA-N 436.415 1.840 0 40 IDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 24749643 NANKTFVJHAGVIM-IYBDPMFKSA-N 431.580 1.020 0 40 IDAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O 32682432 JEOUZTBNHJSOQS-UHFFFAOYSA-N 445.520 1.648 0 40 IDAB O=C(CCn1ccccc1=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 32831015 NKYITPGMNSYOTQ-UHFFFAOYSA-N 443.447 1.790 0 40 IDAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 32873595 TYMCGNFLQNTNFL-GOSISDBHSA-N 434.493 1.849 0 40 IDAB Cc1ccc(C(=O)NCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 35291089 VEPPEIQODBQEIJ-UHFFFAOYSA-N 446.511 1.632 0 40 IDAB CCn1cc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(=O)NCCc2ccccc2)n1 36007223 VGNJGQZJUASWAM-OWSLCNJRSA-N 426.473 1.692 0 40 IDAB COC(=O)c1c(NC(=O)c2cc(C(=O)N3CCOCC3)nn2C)sc2c1CCCC2 36612401 AUPMPNCUOMGFRW-UHFFFAOYSA-N 432.502 1.872 0 40 IDAB CCN1CCN(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 40089505 KIMQMFXOJNWJAN-UHFFFAOYSA-N 434.562 1.516 0 40 IDAB Cc1ncc(CN(C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 48324000 GVEOGNIIJCDYGZ-AWEZNQCLSA-N 438.575 1.931 0 40 IDAB COc1ccc(NC(=O)COc2coc(CN3CCC[C@H]3C(N)=O)cc2=O)cc1Cl 61718659 AANVWKGYODNWFN-HNNXBMFYSA-N 435.864 1.769 0 40 IDAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)[C@H](C)NC(=O)c3ccco3)CC1)O2 72393685 FFMAOQVPUNIJFW-AWEZNQCLSA-N 427.457 1.590 0 40 IDAB CO[C@@H]1CCC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)C1 72399123 ALVCSOCHWHWKOT-OKZBNKHCSA-N 442.560 1.976 0 40 IDAB Cc1ccn2c(=O)c(C(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)cnc2c1 95350362 GIQXQIGFPICFQI-UHFFFAOYSA-N 435.484 1.550 0 40 IDAB CN(C[C@@H]1CCCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1)C(=O)OC(C)(C)C 108088917 CQDACPNKCUZPBG-CZIKEKGBSA-N 435.521 1.254 0 40 IDAB CN(c1ccc(OCC(=O)NCc2cccc(N3CCCC3=O)c2)cc1)S(C)(=O)=O 223012671 BZZLSQPIQSGZON-UHFFFAOYSA-N 431.514 1.904 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 408713594 IVJPGTVBXSIQCW-CQSZACIVSA-N 435.477 1.973 0 40 IDAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCOC)S(C)(=O)=O)cc1 409309139 CBEXJWXIFGVIBB-UHFFFAOYSA-N 449.529 1.866 0 40 IDAB Cc1cc(C)c(-c2cc(NC(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)n[nH]2)cc1C 574439346 RDJNMQUTBWBVDR-UHFFFAOYSA-N 432.484 2.508 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(Cc1ccnn1C)C2 1549167307 NOIQHRLZJSTQJC-NRFANRHFSA-N 437.544 1.481 0 40 IDAB COc1cccc(N2C[C@@H](C(=O)N3CCN(c4nc(C)c(F)c(O)n4)CC3)CC2=O)c1 1888869966 XGVLAMWCDMODFU-AWEZNQCLSA-N 429.452 1.340 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5cccc(F)c5)C[C@H]4C3)ncnc21 1888944419 DZINXLWWYZBJPT-HUUCEWRRSA-N 446.508 1.369 0 40 IDAB C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)NCc1ccc2c(c1)OCO2 3302113 NBJYYQDJFFOXKR-OAHLLOKOSA-N 435.436 1.882 0 40 IDAB CCOC(=O)Cn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 8706203 ICZFBJHXORENNV-UHFFFAOYSA-N 427.436 1.517 0 40 IDAB CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1 9304688 HFNMUXXJSLHBJP-UHFFFAOYSA-N 429.517 1.457 0 40 IDAB CCCn1c(N)c(N(CCOC)C(=O)c2cc3ccccc3cc2OC)c(=O)[nH]c1=O 9464053 BSGBEATXKYIMQS-UHFFFAOYSA-N 426.473 1.984 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(Cl)ccc2C)n(C)c1=O 9519269 YWOVTCLJBMOANZ-NSHDSACASA-N 431.880 1.819 0 40 IDAB CN1[C@@H](C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)C[C@@H](c2ccco2)NS1(=O)=O 12159764 HBJVAFPVXZJTBK-DLBZAZTESA-N 433.465 1.882 0 40 IDAB COc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)n2N)cc1OC 12348308 IRCFWASDICARAZ-UHFFFAOYSA-N 441.513 1.999 0 40 IDAB O=C(N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)N2C1)c1ccccc1 12530403 IRTSQPKDOVJIFO-VWPQPMDRSA-N 432.524 1.727 0 40 IDAB biogenic,in-vitro O=C(Nc1ccccc1)C1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 12737223 NJVJHQGBOSUGIY-UHFFFAOYSA-N 435.278 1.176 0 40 IDAB O=C(Nc1ccccc1C(=O)NC1CCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12753831 JCYSSAZPROHCAW-HNNXBMFYSA-N 446.529 1.463 0 40 IDAB CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1 12895501 CCRCDWNICUVYLS-LJQANCHMSA-N 447.557 1.094 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2ccccc2)O[C@@H]2CO[C@@H](c3ccco3)O[C@H]2[C@@H]1OCC(=O)O 12901063 AGSMHSDKZICECP-LXPDTAIASA-N 433.413 1.472 0 40 IDAB biogenic O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 13528146 OLNKUAQBIDDXBA-UHFFFAOYSA-N 434.518 1.664 0 40 IDAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCN4CCOCC4)C3)c2N)cc1 19558768 WTUXDSHDXHJYEW-MRXNPFEDSA-N 427.505 1.217 0 40 IDAB COCC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 19699319 NBBSFSBUECVFLF-UHFFFAOYSA-N 428.533 1.253 0 40 IDAB CCN(CC)S(=O)(=O)N(C)Cc1nc([C@@H]2CC(=O)N(C(C)C)C2)cc(N(C)C)n1 19701014 OBFHEINWKRFKIK-OAHLLOKOSA-N 426.587 1.285 0 40 IDAB Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2CC(=O)c2ccccc2)n(C)c1=O 20533254 NIUFWCSICXKQNI-UHFFFAOYSA-N 443.507 1.875 0 40 IDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 21668522 PQDDDUQSTJHZTK-KRWDZBQOSA-N 429.564 1.614 0 40 IDAB COc1ccc([C@H](CNS(=O)(=O)c2cc(OC)ccc2OC)N2CCN(C)CC2)cc1 22795065 MECHFLCOEIKGPE-FQEVSTJZSA-N 449.573 1.979 0 40 IDAB COc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)c(OC)c1 26534053 MIFMVXKCCWKQBM-VCHYOVAHSA-N 425.441 1.806 0 40 IDAB C[C@]1(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCS(=O)(=O)C1 32970995 GNYKNLYREPITHZ-FQEVSTJZSA-N 442.603 1.877 0 40 IDAB C[C@@H]1CN(Cc2ccccc2CNC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)C[C@@H](C)O1 40142423 ISANZPJVBRNCNT-HUUCEWRRSA-N 437.500 1.161 0 40 IDAB Cc1cc(NC(=O)C2CCN(C(=O)c3nc(N4CCOCC4)ncc3Cl)CC2)no1 48365482 DALZRDBQIWXQMK-UHFFFAOYSA-N 434.884 1.754 0 40 IDAB CC(C)Cn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)snc2c1=O 49409869 DELLPSKKWPSZRC-UHFFFAOYSA-N 431.493 1.904 0 40 IDAB COc1ccc(N2C(=O)CN(CCc3ccccc3OC)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 56998075 YWRONASVWLGKOR-PMACEKPBSA-N 430.526 1.761 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(CN(Cc1ccccc1)Cc1ccccc1)n2CC(N)=O 57392153 RFHCCALADKNFIN-UHFFFAOYSA-N 432.484 1.111 0 40 IDAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O 57520643 JFADUAFKDYRUJV-UHFFFAOYSA-N 429.458 1.124 0 40 IDAB COCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 57773616 KMWATVARLMQEMD-NHCUHLMSSA-N 425.529 1.712 0 40 IDAB COc1ccc([C@@H](CNCc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)N2CCOCC2)cc1 79108826 NHNCQFRNEKBKHD-YADHBBJMSA-N 448.589 1.589 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)S[C@H]([C@@H]3SC(=O)NC3=O)C2=O)cc1 101375894 ANODIKIDQNDLGU-NWDGAFQWSA-N 437.455 1.217 0 40 IDAB CCOC(=O)c1csc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)n1 101413936 DQNJWKHMAOLXIS-OAHLLOKOSA-N 428.470 1.910 0 40 IDAB COc1ccccc1N(C[C@H](O)CN1CCCN(C)CC1)S(=O)(=O)c1ccccc1 106590897 UNOYEAQQXDYAGQ-LJQANCHMSA-N 433.574 1.889 0 40 IDAB COC(=O)COc1c(/C=C2/NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1OC 108094455 LTOATQISCDDQBA-NTEUORMPSA-N 444.396 1.720 0 40 IDAB CCOc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 224215889 YCRMAPIGLKQFPK-UHFFFAOYSA-N 428.532 1.693 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCN3C(=O)[C@@H]3[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)nc2C1 247554277 WVDUAZJYPNDDPK-NIFAMMPSSA-N 432.546 1.456 0 40 IDAB CC(=O)N[C@@H]1CO[C@@H]2CCCN(Cc3cccc(CN4CCOCC4)c3)[C@@H]2C[C@@]1(C)O 257220149 DJSZZBUQSQLBPR-MOUTVQLLSA-N 431.577 1.528 0 40 IDAB CN(C[C@@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)c1ccc(OCC(=O)O)cc1 257285487 PHJBTCXGTITDPY-QHCPKHFHSA-N 436.468 1.807 0 40 IDAB COCC(=O)NCc1ccc([C@H]2CN(C)C[C@@H]2C(=O)NCCc2ccc(OC)cc2)cc1 257316774 VGYQFTZMINLPFS-PKTZIBPZSA-N 439.556 1.962 0 40 IDAB CC(C)n1cc2c(n1)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)CC2 501025225 PRMUPGGYFIRKRM-CQSZACIVSA-N 426.926 1.817 0 40 IDAB Cc1ccc(Cl)cc1S(=O)(=O)N(c1cccc(O)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575425949 JNGYGZPTEGXCOS-CVEARBPZSA-N 431.919 1.707 0 40 IDAB C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)N1CCC(c2nc(N)n[nH]2)CC1 1641801578 FLKIIBSGHKPXRU-LPTSXCQYSA-N 440.426 1.079 0 40 IDAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@H]1c1ccc(F)cc1 8843436 CTRANMPOYHMYAR-WBNHJWIASA-N 426.473 1.671 0 40 IDAB CC[C@H](CO)Nc1nc2c(c(=O)n(Cc3ccc(Cl)cc3Cl)c(=O)n2C)n1C 8926175 IYEQLNLQUHIZCN-GFCCVEGCSA-N 426.304 1.972 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 8937077 LBLNWNVGUJBDTB-QMMMGPOBSA-N 434.396 1.130 0 40 IDAB COc1ccccc1NC(=O)CNC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 9444466 BODVAWUTDKJLSN-BMGDNIKJSA-N 436.461 1.146 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1c(F)cccc1F 9569880 IIVADBULCICWQJ-UHFFFAOYSA-N 427.448 1.986 0 40 IDAB COc1ccccc1CNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 9807049 GGEVMYZCSRLOCF-OAHLLOKOSA-N 437.543 1.342 0 40 IDAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1 10151223 VUEIQNPKGGKVBK-HUUCEWRRSA-N 442.509 1.508 0 40 IDAB CC(=O)CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C 10368142 IFJLQZBQOGQOAX-CYBMUJFWSA-N 428.880 1.944 0 40 IDAB NC(=O)C1CCN(C(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 12793331 LENPSKAVZZZVCL-UHFFFAOYSA-N 446.982 1.255 0 40 IDAB C[C@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 12799810 OSQQNUBCRASNPB-LLVKDONJSA-N 435.333 1.240 0 40 IDAB CC(=O)c1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 12893800 VOAIELFXGHWOJA-GOSISDBHSA-N 436.505 1.775 0 40 IDAB CCCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n[nH]c1=O 13525720 ZNKLYVMHBYCZDL-UHFFFAOYSA-N 433.943 1.616 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NC(=O)NCCC1=CCCCC1 14140556 LLJFROLMBWBCHI-UHFFFAOYSA-N 436.534 1.349 0 40 IDAB C[C@H]1CN(C(=O)Cn2nc3c(cc2=O)CCc2nc(N4CCCCC4)ncc2-3)C[C@H](C)O1 19497255 SABMGUMEGTXFCG-HOTGVXAUSA-N 438.532 1.425 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccccc3F)[nH]c(=O)c2C1 19592893 HBQRMGIJHGVIPO-IBGZPJMESA-N 442.491 1.736 0 40 IDAB COCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(C(=O)Cc4ccccc4)CC3)nc21 19743084 ZGXDVNMSFCGQAA-UHFFFAOYSA-N 436.512 1.690 0 40 IDAB CC(C)OCC(=O)N1CCO[C@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)C1 19762339 DTCUHNNJDOUICF-QFIPXVFZSA-N 440.544 1.947 0 40 IDAB COC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccco1 20478139 WEJFDOYYMOPKSQ-MOPGFXCFSA-N 440.456 1.142 0 40 IDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)CC1 20568011 STYVINHRLPDCPK-UHFFFAOYSA-N 440.518 1.131 0 40 IDAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[nH]c(=O)c32)c1 22610494 TYCIDWYQZLIQRZ-OAHLLOKOSA-N 438.488 1.153 0 40 IDAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 22795514 WNDXJHFBBBZHBW-LJQANCHMSA-N 440.500 1.467 0 40 IDAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 32745236 WALVWSDQUGYKIE-UHFFFAOYSA-N 429.454 1.226 0 40 IDAB CC(C)CNC(=O)c1ccc2c(=O)n(CC(C)C)c3nnc(SCC(N)=O)n3c2c1 33256706 PHMHYZSYLHFRBL-UHFFFAOYSA-N 430.534 1.663 0 40 IDAB CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)c4cccc(-n5cnnn5)c4)CC3)cc2n1 57775380 QWWAOUZDPMHOKR-UHFFFAOYSA-N 445.487 1.380 0 40 IDAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2 72372399 VUEUMNQMLILSOQ-IBGZPJMESA-N 445.545 1.957 0 40 IDAB O=S(=O)(CCO)c1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cc1 95993797 YVAMCMFORWMPPG-UHFFFAOYSA-N 440.421 1.590 0 40 IDAB CNC(=O)c1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5ccccc5[C@@H]4[C@H]3C2=O)cc1 101374525 WOBLPFFOUXIMJB-INMHGKMJSA-N 435.461 1.524 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCCN(c2ccccc2OCC)S(C)(=O)=O)CC1 222609807 KJULBSUDJFFORV-UHFFFAOYSA-N 441.550 1.932 0 40 IDAB C[C@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222678973 UDSCXVPTIKGMIN-ZDUSSCGKSA-N 434.470 1.830 0 40 IDAB O=C(c1cc(N2CCOCC2)ncn1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 252494245 NPIWTVRXLLPFHN-UHFFFAOYSA-N 431.500 1.733 0 40 IDAB O=C(NCCCn1ccnc1)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 408615229 NRHAHWKGESYQMA-GOSISDBHSA-N 439.516 1.444 0 40 IDAB Cn1nc2c(c1C(=O)NCc1ccccc1)C[C@H](CNC(=O)c1cnn3ccccc13)OC2 1565556295 BJYNBRYVENPECZ-QGZVFWFLSA-N 444.495 1.869 0 40 IDAB CN1CCN(C(=O)c2cc(=O)n(C)c(=O)n2C)[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 1848351824 SRFHVGRMKNXNNR-OAQYLSRUSA-N 446.507 1.277 0 40 IDAB COc1ccc(C(=O)Cn2c(N3CCCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 717796 BCFNIXUPNOZTSK-UHFFFAOYSA-N 425.489 1.706 0 40 IDAB CC(=O)c1cn(CCCCCCCCCCn2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O 8431351 YBBXBSHANRIREL-UHFFFAOYSA-N 446.504 1.613 0 40 IDAB aggregator CCOCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O 8708886 VYPMYNCBXAIOLJ-AWEZNQCLSA-N 443.504 1.738 0 40 IDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(CS(=O)(=O)c2ccccc2)s1 9190861 QEHKDVIXZIMTHZ-UHFFFAOYSA-N 442.478 1.747 0 40 IDAB CCOC(=O)c1sc2nc(C)nc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)c2c1C 9544428 DDKHDACZNQQLTQ-NSHDSACASA-N 443.572 1.880 0 40 IDAB Cn1c(=O)c2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc(C3CC3)nc2n(C)c1=O 11758109 CMTYRBGIXHUZGX-UHFFFAOYSA-N 441.469 1.364 0 40 IDAB COc1ccc(CC(=O)N2CCC[C@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)cc1 12129615 BJDNYJNVFXMIDS-HNNXBMFYSA-N 429.502 1.485 0 40 IDAB CC(C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 12390677 JAWMUUFGZPJACF-QWHCGFSZSA-N 439.563 1.121 0 40 IDAB Cc1noc(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12675849 BOPVKASQKNFBAE-UHFFFAOYSA-N 435.502 1.528 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 12771297 WJSYDNOTWZHREJ-UHFFFAOYSA-N 441.575 1.688 0 40 IDAB CCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 13018146 NJLYEFWKPLQPSL-UHFFFAOYSA-N 430.486 1.564 0 40 IDAB CCCC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCC(C(N)=O)CC1 13505412 QHPOCMSROQTZRM-SFHVURJKSA-N 434.566 1.842 0 40 IDAB Cc1cc(C)c2c(c1)[C@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15967486 HBCVETSGEQSJJA-NRGSMNHXSA-N 446.507 1.142 0 40 IDAB biogenic COC(=O)c1c(S(=O)(=O)NC(=O)Nc2nc(C)nc(N(C)C)n2)c2ccccc2n1C 18194533 WCUBPTYDGUBXOY-UHFFFAOYSA-N 447.477 1.035 0 40 IDAB CCCCn1c(N)c(N(C(=O)CSCC(=O)OCC)C2CCCC2)c(=O)[nH]c1=O 18223308 GTJAWAHSNDDYKT-UHFFFAOYSA-N 426.539 1.491 0 40 IDAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 19576009 XFNASZKKNLWFAK-WJMWBRGCSA-N 426.561 1.576 0 40 IDAB Cc1ncsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 19746380 DKNLEUQLULYOEW-KRWDZBQOSA-N 433.578 1.117 0 40 IDAB Cc1cccc(CNC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1 22395974 DBFNPNJXTHHRJS-UHFFFAOYSA-N 439.559 1.328 0 40 IDAB COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O 22698577 HQTQYEVSYNWHDM-UHFFFAOYSA-N 432.908 1.813 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3ccco3)CC2)cc1C 34850686 XIIUXTXIUNRQJD-UHFFFAOYSA-N 434.518 1.229 0 40 IDAB CCN1CCN([C@H]2CS(=O)(=O)C[C@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 36594765 ZTEKJIVUCSMFLC-RBUKOAKNSA-N 428.620 1.561 0 40 IDAB CN(CCOC[C@H]1CCCCO1)C(=O)CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 36719617 GKLPXWWPAKIELI-VQTJNVASSA-N 446.592 1.803 0 40 IDAB Cc1c(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 40141412 FXNXSADPVPKQCV-MRXNPFEDSA-N 427.486 1.768 0 40 IDAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(ncn2[C@H]2CCS(=O)(=O)C2)c1=O 41104932 PWYJVKUILZSCAS-LBPRGKRZSA-N 435.893 1.553 0 40 IDAB CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)c1 57428051 SISJSADCLAJRSM-KRWDZBQOSA-N 443.525 1.967 0 40 IDAB COC(=O)[C@]1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCCN(Cc2ccccc2)C1 79071271 OBQJHJUYFFUBPO-QHCPKHFHSA-N 434.500 1.529 0 40 IDAB CS(=O)(=O)Nc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 95459649 MFUVTNGZHYMUKA-UHFFFAOYSA-N 431.467 1.827 0 40 IDAB Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O 217659999 HNRXJCZEOHTRIT-UFUUVDDWSA-N 443.463 1.927 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCCOc1cccc(OC)c1)c1ccc2c(c1)OCO2 224160684 XCMYMWWAWVAKJC-UHFFFAOYSA-N 436.486 1.775 0 40 IDAB CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 257297428 RHFDHPWYABPTAU-XMMPIXPASA-N 440.544 1.392 0 40 IDAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2cccc(C)c2)C1 408650849 CDOAVTFUQFOJAB-MRXNPFEDSA-N 425.441 1.679 0 40 IDAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)NCCCOC)C2=O)cc1 409218286 ZYBRLFPRTOOBNL-WJDWOHSUSA-N 436.486 1.818 0 40 IDAB COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3cn(C)c(C)n3)C2)nn1 1888916688 YXSOCOQKDSOBLF-UHFFFAOYSA-N 428.518 1.703 0 40 IDAB COc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)n1 1084239 CKSMUEHNCBMTCI-UHFFFAOYSA-N 433.368 1.805 0 40 IDAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc3ccccc3c(=O)n2CCO)cc1 3449894 LVNQRPVVUVXVJC-UHFFFAOYSA-N 440.525 1.886 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 3843100 OBNBHYQEYRONSE-YMQHIKHWSA-N 438.429 1.457 0 40 IDAB biogenic O=C(NC[C@H]1O[C@@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@@H]1O)Nc1cccc(F)c1 8624338 OQESAYKNZDSDMA-IZZBFERCSA-N 429.448 1.416 0 40 IDAB biogenic,in-vitro CCCOc1ccnc2c1c(=O)n(CC(=O)N1CCN(c3ccccc3)CC1)c(=O)n2C 9649752 ZKCGGKZJYVOXOF-UHFFFAOYSA-N 437.500 1.233 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CC4(CCCC4)C3=O)CC2)c(C)c1 10213201 DGZNJHQCVYWGPH-UHFFFAOYSA-N 447.557 1.456 0 40 IDAB Cc1cc(C)nc(SC[C@@H](C)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1 10249052 LHYXWDHUKXRSKP-LBPRGKRZSA-N 429.550 1.859 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)cc1 14253957 WTJWHGYZYHGBCI-UHFFFAOYSA-N 441.550 1.833 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)CC1 16682923 OQBMKBKTSHXGNC-UHFFFAOYSA-N 433.914 1.270 0 40 IDAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 17178522 KNRRABRWGGRAQL-NRFANRHFSA-N 425.485 1.976 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 17186428 JLVREKBIQZAAJK-UHFFFAOYSA-N 435.889 1.781 0 40 IDAB COc1ccc(OC)c(CN2CCN(C(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)c1 18066707 NTCKDMKOVFGFEX-WOJBJXKFSA-N 441.528 1.689 0 40 IDAB CCCN1CCN(C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 19503386 DFJNEVQUULUCRG-HXOBKFHXSA-N 427.549 1.493 0 40 IDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCN(C(=O)CN3CCCC3=O)C2)n1 19694769 WGKDJWHKCFSIPB-KRWDZBQOSA-N 436.516 1.247 0 40 IDAB CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)CCN1C(=O)CCCC1=O)CC2 19711411 JTOYZDGRXOWKJT-UHFFFAOYSA-N 428.537 1.141 0 40 IDAB COC(=O)COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19999275 DXJPWOIOUKOOIC-UHFFFAOYSA-N 448.497 1.474 0 40 IDAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)CC3 23134758 BTJZXVUCJMNFFM-AWEZNQCLSA-N 428.514 1.527 0 40 IDAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1ccc2c(c1)OCO2 32741194 FQQMCNBQFMCGDI-UHFFFAOYSA-N 446.525 1.728 0 40 IDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 39996270 CSWQRQHVYRARBX-ZWKOTPCHSA-N 445.541 1.634 0 40 IDAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4cccc(C(C)=O)c4)cnc32)c1 40478153 OWXGXFRFJQQJPB-UHFFFAOYSA-N 432.440 1.886 0 40 IDAB O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)Nc1cccc(Br)c1 49399954 ASVHMZXCVOJGNT-UHFFFAOYSA-N 433.266 1.129 0 40 IDAB CC(C)[C@H](C(=O)N[C@H](C)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1)c1ccccc1 57775034 CQCLXYLNEFWXNF-KPFFTGBYSA-N 436.574 1.783 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)NCc4ccccc4F)c(=O)c3s2)CC1 67319309 IZJFNCHNXPIRRX-UHFFFAOYSA-N 430.509 1.450 0 40 IDAB NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1cccnc1N1CCCCC1 72289379 QWSMTFCNWYDOHA-LJQANCHMSA-N 439.516 1.859 0 40 IDAB CC[C@H](C)N1CCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)CC1 72326692 NOAFMJJIPHLCKV-RHGYRFJNSA-N 442.560 1.849 0 40 IDAB COc1ccccc1Cc1noc(C2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)n1 77191315 QTCPOKPYBLMLMP-UHFFFAOYSA-N 434.518 1.266 0 40 IDAB CCOCCNC(=O)C[C@]1(C(=O)NCCOCC)CCN(C(=O)OCc2ccccc2)C1 79095498 UCDIMGYCNKDSQK-HSZRJFAPSA-N 449.548 1.711 0 40 IDAB CC(=O)Nc1ccc(N(C[C@@H](O)CN[C@@H](C)C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 95117135 WMBHULQCLKDUQW-KXBFYZLASA-N 449.529 1.572 0 40 IDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCC(N(C)CC(=O)NC(C)C)CC1 95432328 VHEHCBANRLLRRF-QFIPXVFZSA-N 428.577 1.970 0 40 IDAB COc1ccc(CCNC(=O)Cn2c(CSC)nc3ccccc32)cc1S(N)(=O)=O 95455577 NCIZAGKYSUJRLS-UHFFFAOYSA-N 448.570 1.914 0 40 IDAB C[C@@](O)(/C=C\[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C/C=C/C=C/CO)OP(=O)(O)O 206552468 ZMQRJWIYMXZORG-KEQGKTPJSA-N 430.390 1.055 0 40 IDAB Cc1cccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C 224491761 XJNDUPRWBQHCCF-UHFFFAOYSA-N 448.541 1.898 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1N1C(=O)CCC1=O 225017330 OFWWLDMZDFPOHJ-UHFFFAOYSA-N 445.497 1.986 0 40 IDAB C[C@H]1CN(CCCc2nnc(CCCN3C[C@@H](C)N[C@H](C)C3)n2-n2cccc2)C[C@H](C)N1 225153442 ZKUCFLTXOFGCFM-URSFVKLHSA-N 442.656 1.621 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 225224474 RLAFWGWLNHQGHB-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 225464802 FGOLTAKZHJPBMA-MRXNPFEDSA-N 443.525 1.773 0 40 IDAB Cn1ccc2cc([C@H](O)CNC(=O)C(=O)Nc3cc4c5c(c3)CCN5C(=O)CC4)ccc21 252498703 RIWSMLOPQATZAR-HXUWFJFHSA-N 432.480 1.802 0 40 IDAB Cc1n[nH]cc1C(=O)N1CCN(C)[C@@H](C(=O)N2CCC(COc3ccccn3)CC2)C1 257268518 MMBKNTKAPSICBZ-LJQANCHMSA-N 426.521 1.187 0 40 IDAB COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4cccnc4OC)C2)C3)cc1 306134463 NOKLQOXOYHBGGZ-XMMPIXPASA-N 449.511 1.314 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC)c1 408651292 ARMRIFJBYFUKPU-UNVVTRJASA-N 428.441 1.381 0 40 IDAB O=S1(=O)C[C@@H](O)[C@@H](Nc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C1 575426568 VVGGNRYYFNIIEA-DLBZAZTESA-N 433.511 1.605 0 40 IDAB O=C(NCc1ccc(F)cc1)c1nnc2n1CCN1CCN(C(=O)C3(F)CCC3)C[C@H]21 585109945 RHNVJVIKQVDHOT-MRXNPFEDSA-N 430.459 1.438 0 40 IDAB CCn1ccnc1CN1CCCN([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 592187279 ARMVZPQSQDRIRM-IBGZPJMESA-N 442.564 1.377 0 40 IDAB O=C1CN2CCN(C(=O)c3cncnc3)C[C@H]2COc2ccc(-c3cccnc3)cc2N1 1772594529 JIXVZAPWOJGVBR-IBGZPJMESA-N 430.468 1.696 0 40 IDAB Cc1noc(C)c1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)c3cnccn3)C[C@@H]1CO2 1772594555 LFJOGGVTYJMJNW-QGZVFWFLSA-N 448.483 1.906 0 40 IDAB NS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C[C@H]2CCCO2)cc1 933106 MNNCPOJHQHOHSV-OAHLLOKOSA-N 428.507 1.843 0 40 IDAB CCCn1c(N)c(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(=O)n(C)c1=O 8829632 ZICAQVYSYUMXRI-UHFFFAOYSA-N 428.518 1.462 0 40 IDAB CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2ccccc2OC)c(=O)c3=O)cc1 8849406 CLFVUOHHLYXOFZ-UHFFFAOYSA-N 437.456 1.603 0 40 IDAB CN1C(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C(=O)C12CCCCC2 9337475 KEPJVNHJHFCYOB-KRWDZBQOSA-N 433.530 1.804 0 40 IDAB CCOc1ccc([C@H]2CCCN2C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 9337492 YCYCCZBZDANUNI-GOSISDBHSA-N 439.516 1.976 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 9440227 GXCSVMQYUFOGDS-UHFFFAOYSA-N 437.543 1.974 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)Nc3ccccc3F)C2)cc1 9486083 NZRSWXLOVLWVJW-HNNXBMFYSA-N 449.504 1.990 0 40 IDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9545375 SHKCEXSRGHQDKJ-UHFFFAOYSA-N 442.497 1.503 0 40 IDAB Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1 9577631 LBJLYVDFAWYZPT-INIZCTEOSA-N 437.543 1.226 0 40 IDAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 9632369 FHDWTDVYHLZTFR-INIZCTEOSA-N 443.550 1.840 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCO2 10188097 ZKGGOXVFLTVTIP-UHFFFAOYSA-N 435.477 1.436 0 40 IDAB COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 12391090 UNOZTNZYUZBEFZ-UHFFFAOYSA-N 432.527 1.776 0 40 IDAB CNc1nnc(SCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)s1 12982463 DRMYVCSZUZDETL-AWEZNQCLSA-N 435.531 1.183 0 40 IDAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 13004466 RNAVCDAAZSORHT-UHFFFAOYSA-N 445.472 1.626 0 40 IDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 18764653 FDHCCEMIZGOBHX-UONOGXRCSA-N 435.436 1.978 0 40 IDAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCN(C4CCCC4)CC3)CC2)Nc2ncccc21 19346632 MJTXVYAJDMQMFI-HSZRJFAPSA-N 440.548 1.033 0 40 IDAB O=C1NC(=O)[C@H](CCC(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4)cc3)C2)N1 19374175 YFNZCYBHAHSIHN-PMACEKPBSA-N 434.496 1.459 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCN(C(=O)Cc4ccc(C)cc4)C3)[nH]c(=O)c2C1 19520428 ZSKHMXHMUYCHML-KRWDZBQOSA-N 444.557 1.345 0 40 IDAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(S(=O)(=O)N(C)C)CC2)cc1 19756602 DKJSQSDWOCJGHV-UHFFFAOYSA-N 435.550 1.742 0 40 IDAB CC(C)Cn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)NC(C)C)nc12 23126206 RFUQVYIWDPKQSD-UHFFFAOYSA-N 442.520 1.130 0 40 IDAB NC(=O)[C@H]1CC(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)=NN1c1ccccc1 29439122 GGPFFBBKNVTIKA-OAQYLSRUSA-N 433.512 1.662 0 40 IDAB COc1ccc(C(C)=O)cc1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 32674730 JGRSRCDJZCTDAA-QFIPXVFZSA-N 438.480 1.951 0 40 IDAB COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 34860231 ZABGSKSNLRDIGA-UHFFFAOYSA-N 435.502 1.325 0 40 IDAB COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)o2)cc1OC 35597440 NOYADFQUFRNFBL-UHFFFAOYSA-N 437.518 1.205 0 40 IDAB CCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1O)c1cc2ccc(OC)cc2n(C)c1=O 72324632 QLRREDOGNDXOML-OAHLLOKOSA-N 429.425 1.783 0 40 IDAB biogenic C[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 72394891 VMHDFNLMAMKCQY-APWZRJJASA-N 439.512 1.814 0 40 IDAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CC[C@H](OCCN2CCOCC2)C1 84544118 AFRVUQKUNRLBHJ-PQCJFMQRSA-N 433.593 1.659 0 40 IDAB COc1ccc(Br)c(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c1 96124271 PFOGGRHGNYPGKG-UHFFFAOYSA-N 444.293 1.791 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)cc1F 225761108 XLLUVBDZTLYCNG-UHFFFAOYSA-N 433.461 1.863 0 40 IDAB O=C(COc1ccc(CN2CCCC2)cc1)NC[C@@]1(O)CCCN(c2cnccn2)C1 257279729 OHXSOSOBYZGKQR-QHCPKHFHSA-N 425.533 1.599 0 40 IDAB CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)[C@@H](O)[C@@H]1O 257290454 QDAHICDOHWXRRW-JOCBIADPSA-N 426.477 1.244 0 40 IDAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C)C(=O)NCCC(C)C)cc1 260716804 FZTJWHRJGXZKKO-MRXNPFEDSA-N 427.567 1.466 0 40 IDAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 409265902 UXLZAWWBOLKTJB-UHFFFAOYSA-N 439.559 1.982 0 40 IDAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575608880 WBKRRKCWOBKTQU-YOEHRIQHSA-N 426.560 1.464 0 40 IDAB O=C1Nc2c(S(=O)(=O)N3CCCC3)cc(S(=O)(=O)N3CCCC3)c3cccc1c23 1926197 LXZMPNIWBYBCEC-UHFFFAOYSA-N 435.527 1.975 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)NC(N)=O)n2C)c1 2628185 HGPAYBCWNLRJQC-NSHDSACASA-N 440.551 1.188 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4887478 PYXZXWLFAMZVPY-XDYICZGBSA-N 447.231 1.457 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCCCCC2)cc1 6081274 WPIJOUCECKZQNC-UHFFFAOYSA-N 425.507 1.211 0 40 IDAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=N/CCO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 8762469 ADHLLVLYTWRLEA-GUYUWHKDSA-N 447.572 1.762 0 40 IDAB biogenic O=C(CN1C(=O)CCOc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 8861789 LINYIMWOMYGUMB-UHFFFAOYSA-N 445.497 1.462 0 40 IDAB COC(=O)[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 8951938 QQDSUUXGHQRMET-IFUCZAKDSA-N 434.529 1.872 0 40 IDAB biogenic COC(=O)c1cc(NC(=O)CSc2nnc(C(F)(F)F)n2N)cc(C(=O)OC)c1 9167732 UWLVAYLYOKUAAU-UHFFFAOYSA-N 433.368 1.315 0 40 IDAB COc1ccc(-c2nnc3ccc(OCCNS(=O)(=O)c4cccnc4)nn23)cc1 11694564 GQVCRKKJQGTXTC-UHFFFAOYSA-N 426.458 1.552 0 40 IDAB CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccccc2O1 12122358 XNEWTCWKDGAHAW-UEKCEZPZSA-N 426.469 1.327 0 40 IDAB Cc1ccc2c(c1)oc(=O)n2CCNC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 12188682 QRZZBAIZQHSMDD-UHFFFAOYSA-N 429.454 1.254 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2cccc(C)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 12406251 LERJREBRRWXADA-SRHPJPHMSA-N 437.445 1.030 0 40 IDAB Cc1ccccc1Nc1nc(N)nc(COC(=O)CCNS(=O)(=O)c2ccccc2)n1 12523611 ZPFRRHSZXPTSBN-UHFFFAOYSA-N 442.501 1.918 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3ccccc3F)C2)cc1 13654368 NZRSWXLOVLWVJW-OAHLLOKOSA-N 449.504 1.990 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1F 13848527 HHAKOAXUUYITJZ-UHFFFAOYSA-N 432.481 1.660 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16022192 UMSWYBBSMHRQPH-ZTENYAIWSA-N 436.306 1.472 0 40 IDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CN(C(=O)CN3CCCC3)CCO2)n1 19692816 IMQTXSISBGUBEG-IBGZPJMESA-N 438.532 1.304 0 40 IDAB Cn1cc(CN2CCC(c3cc(C(F)(F)F)c4c(=O)n(C)c(=O)n(C)c4n3)CC2)cn1 19744829 LANIDTORPWWYOT-UHFFFAOYSA-N 436.438 1.764 0 40 IDAB CN1CCN(C(=O)c2cc([C@H]3CN(C(=O)Cn4cccn4)CCO3)nc3ccccc23)CC1 19762180 SKVNZKUBOBEFPS-JOCHJYFZSA-N 448.527 1.419 0 40 IDAB COc1c2c(cc3c1[C@H](CC(=O)c1c(O)n(C)c(=S)n(C)c1=O)N(C)CC3)OCO2 20112953 CPHAHVLHJGLJBB-NSHDSACASA-N 433.486 1.698 0 40 IDAB biogenic COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCCc1ccccc1 20744296 SALCWSQABDQNMD-UHFFFAOYSA-N 431.514 1.923 0 40 IDAB Cc1ccc(NC(=O)CCn2nc(O)ccc2=O)cc1S(=O)(=O)N1CCCCCC1 23110416 ZUUDDRFNLNHUSM-UHFFFAOYSA-N 434.518 1.851 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(CCN2CCCC2)CC1 23249266 HGJQGTFCJFITTE-UHFFFAOYSA-N 434.606 1.633 0 40 IDAB Cc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1S(=O)(=O)N1CCOCC1 33002119 JARWGRVKYSPMMD-UHFFFAOYSA-N 445.541 1.684 0 40 IDAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)CC1 38836269 NNZGXRAQOHZRBM-NRFANRHFSA-N 445.541 1.961 0 40 IDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)n1 40107531 IRJZIHVRINPGEW-QUCCMNQESA-N 444.557 1.183 0 40 IDAB COc1ccc(-n2ncc(C(=O)NC3CCN(c4ncccn4)CC3)c2C(F)(F)F)nn1 40108845 QNGMTMLNLBXUMP-UHFFFAOYSA-N 448.409 1.879 0 40 IDAB CCOC(=O)C(C)(C)Sc1nnc(NC(=O)C2CCN(S(C)(=O)=O)CC2)s1 48984785 FPEOFHWCGOWMTP-UHFFFAOYSA-N 436.581 1.582 0 40 IDAB Cn1cccc1[C@H](CNC(=O)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2)N1CCCC1 49512838 ABCQOHQIIYGNCJ-FQEVSTJZSA-N 435.528 1.752 0 40 IDAB COc1ccc(CNCC(=O)N2CCN(C(=O)CNCc3ccc(OC)cc3)CC2)cc1 57698651 HPRVWTWXKJFBNN-UHFFFAOYSA-N 440.544 1.254 0 40 IDAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NC[C@H]1Cc2ccccc2O1 72326220 YYMICIGBWHDUSV-WAIKUNEKSA-N 435.484 1.066 0 40 IDAB CN(C)CCN(CC(=O)OC(C)(C)C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 95460532 QHDDXFQCEYHMOJ-UHFFFAOYSA-N 434.580 1.203 0 40 IDAB CS(=O)(=O)N1CCC[C@H](C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)C1 96943460 FBPORSQQAKUMKQ-DLEKYWELSA-N 437.543 1.511 0 40 IDAB CNc1nc([C@@H]2CCNC2)nc2c1CCN(S(=O)(=O)c1cc(C)c(OC)cc1C)C2 257301770 RZWKTLYBTAUPNP-OAHLLOKOSA-N 431.562 1.968 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCC[C@H](C)C2)cc1OC 260836860 AODCZLZCTHITKV-INIZCTEOSA-N 427.567 1.563 0 40 IDAB CN1CCN(CCCNC(=O)c2nc(-c3ccnn3-c3ccccc3)n3ccncc23)CC1 306127329 FVXAZHQXUIQPCO-UHFFFAOYSA-N 444.543 1.949 0 40 IDAB CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OCC 408593576 QIIGSNFHFDRHLY-WUXMJOGZSA-N 426.809 1.658 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408670112 WRFVURHFVPDIFZ-KODHJQJWSA-N 426.425 1.152 0 40 IDAB CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c1OC 507951417 UJUQGJRWUAPCEH-UHFFFAOYSA-N 444.918 1.839 0 40 IDAB O=C(CN1CCOCC1)Nc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 525824932 NCUVCAKEZKPTMS-UHFFFAOYSA-N 441.513 1.944 0 40 IDAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3ccc4c(c3)OCCO4)C[C@H]12 1549160825 HVBPHSZSJQAKAG-FQEVSTJZSA-N 427.501 1.865 0 40 IDAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCN(C(=O)c5ccco5)CC4)cnc32)cc1 1330711 NBXSZQCBUJWCIY-UHFFFAOYSA-N 446.467 1.468 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 9255499 QPBPBTPCFCUPKM-UHFFFAOYSA-N 428.507 1.920 0 40 IDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9508533 JUZRVMPZXHESPB-HNNXBMFYSA-N 437.543 1.777 0 40 IDAB CC[C@H](C)N(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 9546854 LAFVFWLVQDLLHA-PXARDIRTSA-N 433.530 1.194 0 40 IDAB CCc1ccc(C(=O)COC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 10041703 DGRLKSIVYWHANQ-UHFFFAOYSA-N 432.498 1.378 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@H](c2ccc(C(=O)OC)cc2)n2nnnc2N1 10231900 ANRWDMLKOOROSR-SFHVURJKSA-N 449.423 1.793 0 40 IDAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCCOC(C)C)CS(=O)(=O)C3)cc1 10250475 VGKRTHSUKJGIQJ-UHFFFAOYSA-N 434.518 1.479 0 40 IDAB Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)Nc1ccccc1C(N)=O 13692091 RWOUBRHQSQLALQ-LBPRGKRZSA-N 437.499 1.207 0 40 IDAB COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3cnoc3-c3ccncc3)CC2)c1 19564356 AGNTYGKEKDGGDI-UHFFFAOYSA-N 442.497 1.821 0 40 IDAB CN(C)CC(=O)N(C)Cc1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 19700813 KMYJIHNILCPSGN-OAHLLOKOSA-N 428.512 1.722 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2cnccn2)CCO1 19703030 CUEVRHZHUUEQDF-HNNXBMFYSA-N 427.486 1.676 0 40 IDAB CCCCN(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1c(N)n(CCC)c(=O)[nH]c1=O 23124234 JQPBWXJXTCUKQH-AWEZNQCLSA-N 445.495 1.854 0 40 IDAB CCOC(=O)N1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)CC1 23805445 ACFZSTGOMNXNAN-QFIPXVFZSA-N 442.472 1.937 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O 32689034 PNIUDTODBLCWAK-UHFFFAOYSA-N 448.501 1.061 0 40 IDAB C[C@@H]1C[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)O1 32736532 QPIPEMAFTKTRNB-PXAZEXFGSA-N 425.459 1.106 0 40 IDAB CCOC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc(C(=O)OCC)c1 36726632 PNERGIXMAPIGPB-CYBMUJFWSA-N 426.491 1.650 0 40 IDAB COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)c(Cl)c1)C(=O)OC 40287129 ACGIWFHPSBPDMT-WMLDXEAASA-N 438.843 1.964 0 40 IDAB NC(=O)CN1CCC(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 58130765 GEGHUCFGKDZONY-AWEZNQCLSA-N 426.439 1.120 0 40 IDAB CCOc1ccccc1[C@H]1NC(=O)NC(CN2CCC3(CC2)OCCO3)=C1C(=O)OC 67287861 OQLPQJLRVANICE-LJQANCHMSA-N 431.489 1.705 0 40 IDAB Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 72301185 MZGUFMXDHICJQZ-UHFFFAOYSA-N 427.460 1.558 0 40 IDAB CCn1ccc(C(=O)N2CCN(C)[C@H](C(=O)N3CCC(Oc4ccccn4)CC3)C2)n1 257209928 BSLOAZHIGJXUGW-IBGZPJMESA-N 426.521 1.124 0 40 IDAB CN(C)CCOc1cccc(C(=O)N2CC[C@@](C)(O)[C@H](n3cnc4c(N)ncnc43)C2)c1 257222771 DUQMUPRPPCHUAM-VGOFRKELSA-N 439.520 1.187 0 40 IDAB COc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1F 408681544 XJUOTVRXKVBWHE-UHFFFAOYSA-N 430.479 1.656 0 40 IDAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)[C@H]2CCCN2c2nc3ccccc3o2)CC1 585322642 WXAIBTMPUPOQRT-QGZVFWFLSA-N 443.529 1.995 0 40 IDAB NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 602349962 QIYZSEDIFQEOAP-UHFFFAOYSA-N 441.506 1.513 0 40 IDAB O=C1OC[C@H](COc2cc(OC[C@H]3COC(=O)O3)cc(OC[C@H]3COC(=O)O3)c2)O1 627276286 ZXBFDLXRUFWDLP-KKUMJFAQSA-N 426.330 1.429 0 40 IDAB Cn1c(=O)c2c(nc(N3CCCCCC3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 801713 YNARQTRGBVMTCM-INIZCTEOSA-N 427.505 1.254 0 40 IDAB COC(=O)COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1Br 1093478 YEGSUKPRYDRGMM-RUDMXATFSA-N 434.040 1.944 0 40 IDAB O=S(=O)(NCc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 1362935 FSHUBIHODCUSLD-UHFFFAOYSA-N 430.935 1.839 0 40 IDAB O=C(O)CCS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)CCC(=O)O)cc2)cc1 2836076 CXTJUXFZSPQSIY-UHFFFAOYSA-N 426.468 1.850 0 40 IDAB Cn1c(=O)c(C(=O)CSc2ccc3c(c2)OCCO3)c(N)n(Cc2ccccc2)c1=O 3489442 LMPPFILBYSGNQC-UHFFFAOYSA-N 439.493 1.924 0 40 IDAB CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 4388628 ZLSNFBBJTYXJSM-UHFFFAOYSA-N 433.490 1.505 0 40 IDAB Cc1c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(=O)n(-c2ccccc2)n1C 6552935 BQJJEDYSYXCXTR-FPTDNZKUSA-N 425.489 1.924 0 40 IDAB O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)COc3ccccc3)C1)C2)c1cncnc1 8300334 BQHRAYPSPCHJKH-DLBZAZTESA-N 445.479 1.915 0 40 IDAB biogenic,in-vitro CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(CS(C)(=O)=O)cc1 8826309 KVVIRNNSPDLDTQ-UHFFFAOYSA-N 445.541 1.779 0 40 IDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 9203731 HJZJGNUXRCXQFE-OTWHNJEPSA-N 426.469 1.187 0 40 IDAB O=C(NCCc1ccco1)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 9747259 QDFARVZDFFMMNK-HNNXBMFYSA-N 439.559 1.750 0 40 IDAB O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl)OC[C@H]1CCCO1 9910521 PLODWYGCZPNXQR-DOMZBBRYSA-N 439.921 1.267 0 40 IDAB O=C(CSc1nc(=O)n(CCCO)c2c1CCCC2)N1CCN(c2ccccc2)CC1 10256835 NIVZCQLLZDTAOR-UHFFFAOYSA-N 442.585 1.945 0 40 IDAB O=C(c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1)N1CCN(c2ccccc2)CC1 12030342 XTXPENXBNUFDDM-HXUWFJFHSA-N 448.566 1.610 0 40 IDAB COC(=O)c1sc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)c(C(=O)OC)c1C 12557100 BDNZUDSBUFSLHA-UHFFFAOYSA-N 448.500 1.078 0 40 IDAB Cn1nnc2c(N3CCN(C(=O)c4ccccc4I)CC3)ncnc21 13532531 YGFOVYFQWSNGNK-UHFFFAOYSA-N 449.256 1.325 0 40 IDAB O=C(c1cccc(-n2cnnn2)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 14135555 LJUYPEHDCLKXBT-UHFFFAOYSA-N 430.465 1.338 0 40 IDAB CCn1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)n1 17102247 SKBZIECTXYCANI-WPNIOXTASA-N 438.509 1.633 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)NCc3ccc(C)o3)CC1)CNC2=O 19216651 CWMXSWCQHVKDIK-QHCPKHFHSA-N 441.484 1.787 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)NCc3cc(=O)[nH]c(N4CCC(C)CC4)n3)ccc21 19497063 NVBCJTYPXTZQBC-UHFFFAOYSA-N 445.545 1.394 0 40 IDAB COc1ccccc1N1CCN(C(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)CC1 20245581 GBGWFPXMHVIVBD-UHFFFAOYSA-N 432.546 1.900 0 40 IDAB Nc1nccnc1C(=O)OCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 24794581 OOFVOIRLUKJUHF-UHFFFAOYSA-N 444.801 1.632 0 40 IDAB O=C1N[C@@H](C(=O)N2CCN(Cc3ccccn3)CC2)CS[C@H]1Cc1ccccc1F 32823377 CJAYATVHYPAZTB-UXHICEINSA-N 428.533 1.708 0 40 IDAB CN(C)C(=O)CN1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3cc(Cl)ccc23)CC1 36358664 IZYNBOBEIYSICL-LJQANCHMSA-N 436.896 1.211 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 36359166 SGCDVWJDOFUOSO-CYBMUJFWSA-N 431.470 1.657 0 40 IDAB CC(C)[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O 40268366 SBQFBHKQIIJHNQ-HXUWFJFHSA-N 433.468 1.874 0 40 IDAB COc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 56998050 VDOVWQYFZGCGDH-ROUUACIJSA-N 430.482 1.438 0 40 IDAB O=C(Nc1cnccn1)C1CCN(C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1 58066982 XGZJDFYQHYEHHT-UHFFFAOYSA-N 433.472 1.964 0 40 IDAB COc1ccc2c(c1)CN(C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C[C@@]1(CCCN(C)CC1)O2 72394499 PZHPYNQMMNJBGU-QHCPKHFHSA-N 442.516 1.198 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)NCCN4CCCC4)=NO3)C2)cc1 96225591 NOYFLRMQDYDJFC-JOCHJYFZSA-N 448.589 1.932 0 40 IDAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccccc4Cl)C3)C2=O)o1 225397025 DKUMJUWEKWXVQH-APWZRJJASA-N 429.904 1.800 0 40 IDAB biogenic,in-vitro CCN(Cc1ccccc1)C(=O)c1cn2c(nc1=O)[C@@]1(CCN(S(C)(=O)=O)C1)CC2 306126026 DJVPMIDMOSDMHI-OAQYLSRUSA-N 430.530 1.212 0 40 IDAB COc1ccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 408616575 AQBPXVIIIUYYHE-UHFFFAOYSA-N 447.557 1.647 0 40 IDAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)c1 408664289 ZHVPUEPIOXSRCA-SFHVURJKSA-N 437.452 1.873 0 40 IDAB CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OCC)=C(N)O1 2214352 ABTMEVQITDTIBH-JOCHJYFZSA-N 444.440 1.411 0 40 IDAB COc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC 2634452 UWMNNUCQGFZMFZ-QGZVFWFLSA-N 436.486 1.834 0 40 IDAB O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ncccn2)CC1 2952263 VSWPENXFIPAZRN-UHFFFAOYSA-N 442.479 1.491 0 40 IDAB CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2c1c(=O)n(C)c(=O)n2C 6198414 SNUSWGZMQACAAC-UHFFFAOYSA-N 433.490 1.202 0 40 IDAB Cc1cc(C)nc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 6320623 CMGHSQJNUGUNRO-UHFFFAOYSA-N 429.550 1.859 0 40 IDAB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)CN2C(=O)COc3ccccc32)CC1 9096069 MCXGQIFIJOKPMM-UHFFFAOYSA-N 444.513 1.132 0 40 IDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 9350335 QEBNTCRCPAUUMT-GFCCVEGCSA-N 446.451 1.207 0 40 IDAB CN(C)Cc1ccc(CNC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1 9455094 YHTUAQFLIKCILN-IBGZPJMESA-N 426.542 1.978 0 40 IDAB Cc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1S(=O)(=O)N1CCOCC1 9960899 HAVWLOVYALXAHS-UHFFFAOYSA-N 442.497 1.365 0 40 IDAB O=C(Cc1csc(N2CCCC2=O)n1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375740 MUKQMNUWONPPOD-UHFFFAOYSA-N 448.570 1.782 0 40 IDAB COC(=O)c1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1 11858305 OMJUYIQJKYDHGQ-UHFFFAOYSA-N 438.483 1.649 0 40 IDAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 11904224 IKXWQKPQNMDGSZ-UHFFFAOYSA-N 438.483 1.634 0 40 IDAB CC(=O)N1C[C@H](C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)Oc2ccccc21 12845811 HSLYKJKGCRNNAZ-OAQYLSRUSA-N 440.475 1.723 0 40 IDAB COc1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1S(=O)(=O)N(C)C 12913776 UELVOJIHICSFPF-UHFFFAOYSA-N 438.506 1.139 0 40 IDAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)C1=CN2CCS(=O)(=O)N=C2C=C1 12976540 PDCCLJASRWADQC-OAHLLOKOSA-N 430.486 1.032 0 40 IDAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 13040887 QVEYNAZKCZKHBO-MRXNPFEDSA-N 427.457 1.855 0 40 IDAB COc1ccc(CCN2C[C@@H](C(=O)N3CCN(C[C@H]4CCCO4)CC3)CC2=O)cc1OC 13057570 KICCUAVDOSGOOB-VQTJNVASSA-N 445.560 1.418 0 40 IDAB COc1ccc(-c2nc(SCCN3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 13685174 JHZSYERNRUFTNI-UHFFFAOYSA-N 427.530 1.891 0 40 IDAB CC(=O)N[C@@H](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 14180858 RXPKRBPTGTXTQK-FQEVSTJZSA-N 431.514 1.914 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)cc1 14232630 CGBMZFQYNYXCNW-XJKSGUPXSA-N 433.486 1.268 0 40 IDAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(CC(=O)NC[C@H]4CCCO4)CC3)c2c1 20733786 FKEBPWFUVXXEFG-IERDGZPVSA-N 430.505 1.215 0 40 IDAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 23134969 OYRWTVNEMBWDMR-UHFFFAOYSA-N 440.479 1.923 0 40 IDAB Cc1cccc(NC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 25065521 CNVCBRCJBAGRAZ-UHFFFAOYSA-N 445.545 1.765 0 40 IDAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 25404616 YIQLDXQBKAAOHW-OXJNMPFZSA-N 444.532 1.518 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(c3ncnc4c3oc3ccccc34)CC2)C[C@H](C)O1 26776445 TVOTVPUYHUTNSN-GJZGRUSLSA-N 431.518 1.852 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC3CCCCC3)CC2)cc1C 35500513 JFUTVJULSHVOQH-UHFFFAOYSA-N 436.578 1.768 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1F)C(=O)OC 36569470 DSYUJWZJRZLQML-CRAIPNDOSA-N 436.415 1.840 0 40 IDAB C[C@H](Oc1ccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cn1)c1ccccc1 48237903 VZNLLDBHYYUKEK-YJBOKZPZSA-N 431.514 1.645 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)CC2=O)cc1 58310578 SXZRMSDITPBFMA-GOSISDBHSA-N 445.523 1.929 0 40 IDAB Cn1cc(C(=O)N2CCCC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 67337123 CZWFEWMHNNQTQJ-UHFFFAOYSA-N 437.953 1.820 0 40 IDAB CC(C)n1c([C@@H]2CCCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)nc2ccccc21 72314024 ZHNOMWLXBBYEAI-OAHLLOKOSA-N 445.545 1.583 0 40 IDAB CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 78875208 OXMMLFOMMJUFCM-GASCZTMLSA-N 449.533 1.533 0 40 IDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 95424600 GSTOVTIHVDDANW-BLRBJFNZSA-N 427.482 1.901 0 40 IDAB N[C@@](OC(=O)C(=O)O[C@](N)(c1ccccn1)C(F)(F)F)(c1ccccn1)C(F)(F)F 95917992 NCBOLAYHSLYFOO-ZIAGYGMSSA-N 438.284 1.611 0 40 IDAB O=C(NCc1ccccc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccncc1)S3(=O)=O)O2 96264016 VDFYJDWGLOIVKP-DYXWJJEUSA-N 428.514 1.349 0 40 IDAB COCCNS(=O)(=O)Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)c1 223236163 AKTCCRSSYXJNNJ-AWEZNQCLSA-N 436.486 1.887 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)C3[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)nc2C1 247554291 WVDUAZJYPNDDPK-PASATYPHSA-N 432.546 1.456 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)cn1C 253471038 ANBLVUJNADHWDV-UHFFFAOYSA-N 446.573 1.700 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3nn(C)cc3-c3cccnc3)CC2)CC1 257237957 HIZMQIHEUOCYLB-SAABIXHNSA-N 447.561 1.520 0 40 IDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1 408601057 DXDMGVVPPHGTLG-MRXNPFEDSA-N 433.530 1.719 0 40 IDAB COC(=O)C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)c1cccc(Br)c1 509776168 XHFXRRZSMYAROF-LLVKDONJSA-N 431.264 1.724 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1CC(=O)N[C@H]1CCCC[C@H]1C 585139641 ZAJVTOBDHGIBFN-MXTXWDONSA-N 446.544 1.916 0 40 IDAB Cc1cccc(OC[C@H](O)CN(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)C(C)C)c1 1681922862 OXJVFNXJZXUNAT-NSHGMRRFSA-N 441.594 1.873 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2C[C@H]3CN(c4nccs4)C[C@@H]3C2)cc1 1888909527 OPQWRMJHBDFONG-ZIAGYGMSSA-N 432.527 1.553 0 40 IDAB CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)Nc3ccccc32)C(C(=O)OC)=C(N)O1 989132 CPEUDRWVNFKHGZ-NRFANRHFSA-N 430.413 1.020 0 40 IDAB biogenic COc1ccc(Cn2nnnc2CN(CCO)Cc2cc3cccc(C)c3[nH]c2=O)cc1 1326891 XXPRHEFPFUHZMC-UHFFFAOYSA-N 434.500 1.874 0 40 IDAB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NCc3ccco3)nc(C3CC3)nc21 3353440 CUWJXUKWMACTNH-UHFFFAOYSA-N 429.502 1.779 0 40 IDAB O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9127913 DFTMSZYFKMGPKO-UHFFFAOYSA-N 426.498 1.703 0 40 IDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 9465492 YAJGNVLBZJLWPU-VXGBXAGGSA-N 429.520 1.890 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1 9580748 AKSIGRYRXFQFJD-UHFFFAOYSA-N 430.438 1.839 0 40 IDAB COc1ccc(OC[C@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 10385774 DNWBISQKNSCGSA-OAHLLOKOSA-N 445.520 1.340 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1OC 11858249 VCZBIOOEPBBGAQ-LBPRGKRZSA-N 440.499 1.817 0 40 IDAB COc1cc2oc(=O)c(CC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)c(C)c2cc1OC 11865638 LAQKJWXMPWDXOJ-LJQANCHMSA-N 434.445 1.003 0 40 IDAB biogenic Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)N(C)S(=O)(=O)N1 12131231 MHMVLTNLGWFNME-GJZGRUSLSA-N 431.440 1.966 0 40 IDAB CCCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 12444911 ADBMBHDZISKHCR-UHFFFAOYSA-N 447.561 1.537 0 40 IDAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN2CCN(C(C)=O)CC2)cc1 12634207 HLFXRSJECDJXER-UHFFFAOYSA-N 438.528 1.770 0 40 IDAB CNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 12882500 HRNRMUXMQFUXEI-UHFFFAOYSA-N 444.557 1.608 0 40 IDAB COc1ccc(-c2n[nH]c(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)n2)cc1 14184267 PHYVOCJZXIULOA-UHFFFAOYSA-N 429.502 1.760 0 40 IDAB C[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)NCc1ccc2c(c1)OCO2 15274558 FSEWLKWPGWFZIO-SNVBAGLBSA-N 440.861 1.578 0 40 IDAB COC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 15933650 GREBDEIKMXJQTL-INIZCTEOSA-N 425.551 1.463 0 40 IDAB CCCn1c(N)c(N(CCOC)C(=O)COc2ccc3ccccc3c2)c(=O)[nH]c1=O 16047214 CCBCHPLVFOFDKY-UHFFFAOYSA-N 426.473 1.740 0 40 IDAB CCn1nc2c(c1C(=O)N1CCC[C@@H]1c1nc3c(c(=O)[nH]1)CCN(C(C)=O)C3)CCCC2 19524088 FVOHLLBSKBTZQK-LJQANCHMSA-N 438.532 1.747 0 40 IDAB Cc1c([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCCN(C)C)C3)C2)n2c(nc1=O)CCC2 19554725 ZXJLSXTVVZCPCA-MSOLQXFVSA-N 429.565 1.004 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(S(=O)(=O)c3ccccc3)CC1)C2=O 19700715 IWIHIQFYQAPJLS-UHFFFAOYSA-N 448.589 1.884 0 40 IDAB CC(C)NC(=O)c1cc([C@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)nc2ccccc12 19762815 SDZPQRLXLAFIND-HXUWFJFHSA-N 448.545 1.323 0 40 IDAB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN([C@H]1C=CS(=O)(=O)C1)CO3 20623537 BSCVZZKRIHIGNY-NSHDSACASA-N 439.873 1.933 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CNCCCN2CCOCC2)ccc1C 21539770 RYLOSYDBJNPFNC-UHFFFAOYSA-N 426.583 1.276 0 40 IDAB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 22796723 BZFRNZBXWJULEC-QFIPXVFZSA-N 437.544 1.997 0 40 IDAB CCc1ccccc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 23653953 UKMGSTAOYXVUEA-UHFFFAOYSA-N 444.557 1.554 0 40 IDAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NCc1ccc(F)cc1 25426151 DCRURIUGZQJETF-HNNXBMFYSA-N 428.416 1.809 0 40 IDAB NC(=O)Cn1c(C2CC2)nnc1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 48343872 GYYQLHNXAUAKHT-UHFFFAOYSA-N 443.279 1.106 0 40 IDAB CN1C[C@H](C(=O)N2CCC(c3nc(-c4ccncc4)ncc3S(C)(=O)=O)CC2)CC1=O 72335849 PYKFFVAVQWZRFN-MRXNPFEDSA-N 443.529 1.126 0 40 IDAB Cn1nccc1C(=O)C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 72337596 LQRPNDPSKXRHCL-MRXNPFEDSA-N 436.559 1.756 0 40 IDAB O=C(CN1Cc2ccccc2C1)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338798 WPIIUPJLJHOKGW-JOCHJYFZSA-N 426.542 1.971 0 40 IDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)C2)n1 79492678 AVMWBNSUSDSIQY-DLBZAZTESA-N 432.550 1.813 0 40 IDAB O=C(CCN1CC[C@H](OCCN2CCOCC2)C1)N1CCN(c2ccc(F)cc2)CC1 84405206 MFZUDWACRXNDDO-QFIPXVFZSA-N 434.556 1.288 0 40 IDAB CC(=O)Nc1ccc(N(C[C@H](O)CN2CCNCC2)S(=O)(=O)c2ccc(C)cc2)cc1 95117130 ORNOIMRZJGCVQT-OAQYLSRUSA-N 446.573 1.415 0 40 IDAB Cn1nccc1CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 95941048 OLFWKJPAUGMTJA-UHFFFAOYSA-N 442.497 1.965 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4[C@@H](c5ccco5)c5sc(=O)[nH]c5S[C@H]43)[C@H]2C1=O 101175877 VEAZGPPZOQXRGA-BFDFOKDPSA-N 432.479 1.587 0 40 IDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 101558904 NDIPFGQEQGJMQI-SLUIBLPYSA-N 443.525 1.607 0 40 IDAB COc1ccc(-c2noc(CNC(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)n2)cc1 225166795 ZKVNZILLDKPDCX-SFHVURJKSA-N 430.486 1.994 0 40 IDAB Cc1cc(N2CC[C@@](O)(CNCc3ccc(OCCCN4CCCC4=O)cc3)C2)ncn1 257203677 ARBVABCFIATGKZ-XMMPIXPASA-N 439.560 1.907 0 40 IDAB Cc1cc(N2CC[C@@](O)(CNC(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1 257214872 CNUWYRHBJKLWOB-HSZRJFAPSA-N 425.533 1.631 0 40 IDAB CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)CN2CCOCC2)CC1 257345101 ZZZZDTUMTAIRNB-WGSAOQKQSA-N 431.581 1.989 0 40 IDAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3OC)C2)c1 408658888 RTWBYEIUXPBELE-AWEZNQCLSA-N 441.440 1.379 0 40 IDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@@H](CO)c1ccccc1 504163508 BVHZVEHOLMDNHG-IRXDYDNUSA-N 425.441 1.466 0 40 IDAB biogenic COc1ccc(C)cc1S(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 575424105 SPIRIFHSAHGSPG-MRXNPFEDSA-N 438.527 1.721 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@H](Oc2ccncc2F)C1 1775974638 KKBMGVYEYACNMH-INIZCTEOSA-N 435.477 1.535 0 40 IDAB COc1cc(S(=O)(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)ccc1-n1cnnn1 934254 ANBYRGOHZWVNRQ-INIZCTEOSA-N 430.490 1.436 0 40 IDAB COc1cc(C(=O)OCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)ccc1OC(F)F 3438301 PXDDSAFECJSUAA-UHFFFAOYSA-N 437.355 1.290 0 40 IDAB COc1cc2c(c3oc(=O)c(CCC(=O)N(C)C[C@H](O)CO)c(C)c13)CCC(C)(C)O2 8764759 ZDQXIUKRLJYSGU-AWEZNQCLSA-N 433.501 1.958 0 40 IDAB biogenic Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2[C@H]2CCS(=O)(=O)C2)cc1 9126726 PBVUHZOYYQTYQH-AWEZNQCLSA-N 427.486 1.021 0 40 IDAB COc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 9570288 BNIYSHSQVADRTL-UHFFFAOYSA-N 439.559 1.126 0 40 IDAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc(OC)c(OC)c1)c(=O)n2C 9571736 XMNMHXBUZIHYLL-UHFFFAOYSA-N 442.472 1.712 0 40 IDAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 13567093 GEKWBKDYRBJFDO-UHFFFAOYSA-N 448.497 1.440 0 40 IDAB COc1cn(CC(=O)Nc2cccc(C)c2C)c(CN2CCN(C(C)=O)CC2)cc1=O 16837641 GVQYQRWAQMDWIY-UHFFFAOYSA-N 426.517 1.777 0 40 IDAB CO[C@@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3nn(C)cc3-c3cccnc3)CC2)C1 19290258 WODFPIDSSSRFTD-FUHWJXTLSA-N 447.561 1.520 0 40 IDAB CNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)COCCN2CCCC2=O)C1 19702297 GNHAUBLZXTXUDV-AWEZNQCLSA-N 430.530 1.611 0 40 IDAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)C2)ncc1C(N)=O 19763706 QYNQAKITJHNLPW-INIZCTEOSA-N 436.516 1.413 0 40 IDAB Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCCN2CC(=O)N2CCNC2=O)n1 19767240 ADODIBFZOPUOBY-IBGZPJMESA-N 436.516 1.794 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 20245202 CRQMUDGXABNLIV-UHFFFAOYSA-N 438.500 1.926 0 40 IDAB O=C(CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1)Nc1ccccc1C(F)(F)F 21704566 FGDLMDPITUQFOC-UHFFFAOYSA-N 427.364 1.718 0 40 IDAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(Cc3ccncc3)CC1)C2=O 23653565 NOHZOGBJXRYYRJ-UZUQRXQVSA-N 427.549 1.863 0 40 IDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)[C@H]3C[C@H]3C)CC2)c(C)c1C 24756732 ANMLTDWPEIYOMM-YJYMSZOUSA-N 435.590 1.834 0 40 IDAB COC(=O)CNC(=O)c1ccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)cc1 25321425 XWIMXDNAUFNREI-UHFFFAOYSA-N 425.441 1.734 0 40 IDAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 40058663 IULNWZJLWXDIRP-UHFFFAOYSA-N 438.527 1.041 0 40 IDAB COc1ccc(N2C(=O)CN(CCc3cccc(OC)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 56998080 OLOJIFBFXVFXQT-SFTDATJTSA-N 430.526 1.761 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21)NCc1ccco1 57428272 YXPRLCXOJQHWAW-UHFFFAOYSA-N 439.449 1.911 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1OC 67287410 YQMMCDXAEHUHAN-HXUWFJFHSA-N 448.520 1.131 0 40 IDAB COc1ccccc1CNC(=O)CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325783 MXVWJEGDYJKYHN-UHFFFAOYSA-N 430.530 1.508 0 40 IDAB CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)OCC(=O)N1CCc2sccc2C1 95995836 OMGYVJYOCZCPPT-ZDUSSCGKSA-N 425.507 1.335 0 40 IDAB COC(=O)Cn1ncc2c(N3CC[C@H](OC)C[C@@H]3CNC(=O)OC(C)(C)C)ncnc21 96005731 PQJSUUXOHGENHB-KGLIPLIRSA-N 434.497 1.508 0 40 IDAB O=C(NCc1ccncc1)C1=NO[C@]2(CCCN(S(=O)(=O)c3cccc(F)c3)C2)C1 96074433 SAMISGGITKHUHT-HXUWFJFHSA-N 432.477 1.837 0 40 IDAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCc1ccccc1CN1CCC(O)CC1 97011995 ZAZXVYKGJOKJDT-URVUXULASA-N 446.617 1.985 0 40 IDAB Cc1cccc(CN2CCn3c(nn(CC(=O)NCCCc4ccccc4)c3=O)C2=O)c1 98213154 QDCPNYHTWCKFDA-UHFFFAOYSA-N 433.512 1.758 0 40 IDAB CCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@](C(OC(C)=O)OC(C)=O)(O3)[C@@H]2C1=O 100262156 SCTSXRAQMFCZOR-GEYWLOKFSA-N 443.408 1.129 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)CC1 101323082 ZDMUFDPMMGDQKX-IRXDYDNUSA-N 440.587 1.654 0 40 IDAB COc1cc(C)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C 224269393 MDHJNUCNQMNHTK-UHFFFAOYSA-N 442.559 1.920 0 40 IDAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 225272922 WPPVCEKNLFILHR-SFHVURJKSA-N 432.498 1.418 0 40 IDAB Cc1cn([C@H]2COC3(CCN(C(=O)c4ccc(CN)cc4)CC3)C[C@]2(C)O)c(O)nc1=O 257208332 BLSODXQVQXSSJK-AVRDEDQJSA-N 442.516 1.103 0 40 IDAB Cc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(OCCN4CCCC4)cc3)C2)ncn1 257237302 HFXASFPCXAIITJ-HSZRJFAPSA-N 425.533 1.631 0 40 IDAB CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)CN(Cc3cnn(C)c3)CC2)C1 306125732 DACYRQUVTVCOEZ-JOCHJYFZSA-N 425.537 1.000 0 40 IDAB COCC(=O)N1CC[C@]2(C1)CN(Cc1csc(C)n1)S(=O)(=O)c1ccccc1O2 306140475 UUNMLJHLNHUDAC-IBGZPJMESA-N 437.543 1.652 0 40 IDAB COc1cc([C@@H](CC(=O)NCCN2CCCC2=O)c2oc(C)cc(=O)c2O)ccc1O 524731532 BBVPYKDGHMKHNP-OAHLLOKOSA-N 430.457 1.629 0 40 IDAB biogenic CN(C)c1nc(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)nc(N2CCOCC2)n1 575605707 DDJHNMGOYBNGQZ-UHFFFAOYSA-N 440.483 1.244 0 40 IDAB CS(=O)(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccc(F)cc1 1341300 KTQGZSIDJPLJSL-UHFFFAOYSA-N 441.554 1.997 0 40 IDAB O=C(COC(=O)CCS(=O)(=O)c1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 2618954 XDUUFIUGFMACMH-UHFFFAOYSA-N 448.453 1.513 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CNCCc2ccc(C(F)(F)F)cc2)cc1 3338999 AGDAYXREYGWLBJ-UHFFFAOYSA-N 429.464 1.844 0 40 IDAB CCN(C(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)[C@H]1CCS(=O)(=O)C1 3376716 GGURNLJGYJSXSQ-DJJJIMSYSA-N 438.527 1.194 0 40 IDAB CCCCCCO[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 4279284 RZSSLCQNNAGTQY-MDMHHNQBSA-N 431.482 1.239 0 40 IDAB C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8760452 QDZXBMVBTFSPAQ-HOCLYGCPSA-N 445.497 1.253 0 40 IDAB O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C[C@@H]1CCCO1 9045635 QWTPFGWYUWQUJX-DVNZQXEZSA-N 431.492 1.829 0 40 IDAB biogenic O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccccn1 9305891 DSFJFRDYCYXQPU-HNNXBMFYSA-N 434.493 1.766 0 40 IDAB O=C(NCCc1ccco1)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 9743689 IBGKUGVSMMWJIP-KRWDZBQOSA-N 433.530 1.688 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCCN(C)C)c1 9748970 ROEWBANWDGIKAO-GOSISDBHSA-N 438.594 1.031 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NCCOc3ccccc3)CC2)c1 9835574 OATFWICWNJWXRZ-UHFFFAOYSA-N 449.529 1.799 0 40 IDAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 9908578 NZBRKSAMGIMKSG-XOBRGWDASA-N 433.486 1.707 0 40 IDAB Cn1c(=O)c2c(SCC(=O)N3CCN(c4ccccc4)CC3)ccnc2n(C)c1=O 10217010 QZEPXCHLNBQBSC-UHFFFAOYSA-N 425.514 1.073 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(C)cn23)n(C)c1=O 10271850 YPSIKEOMILWIJE-UHFFFAOYSA-N 429.864 1.972 0 40 IDAB NC(=O)C1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 11613364 OBIDJKAZWPMMQT-OAHLLOKOSA-N 438.513 1.343 0 40 IDAB CCc1onc(C)c1C(=O)N1C[C@H](C(=O)N(C)C)[C@]2(COc3ccccc3C(=O)N2)C1 12123940 BNEFEZKNZMBPNA-IVZQSRNASA-N 426.473 1.267 0 40 IDAB CS(=O)(=O)c1ccc(NC(=O)CSc2nnc([C@H]3CCS(=O)(=O)C3)o2)cc1 12987106 RWLKARAWVKWAGU-JTQLQIEISA-N 431.517 1.106 0 40 IDAB C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)NCc1ccc2c(c1)OCO2 13127961 KQYXZMUAFZESOO-AAEUAGOBSA-N 439.515 1.573 0 40 IDAB COc1cccc(OC)c1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 20347395 SRZSUVAPPCPMOH-GOSISDBHSA-N 430.501 1.990 0 40 IDAB COc1cc2oc(=O)c(CC(=O)N(C)CC(=O)N3CCN(C)CC3)c(C)c2cc1Cl 20623470 YUORSQZEYSOIOS-UHFFFAOYSA-N 435.908 1.538 0 40 IDAB CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1 23710042 LKZDEWWLUOJJRS-AWEZNQCLSA-N 437.381 1.708 0 40 IDAB CCOC(=O)[C@@H]1CSCCN1C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 33016189 MEBJLBHZODOIDA-JTSKRJEESA-N 445.541 1.883 0 40 IDAB CN(C)CCCNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 36384799 VFOFHICONNZTEU-UHFFFAOYSA-N 447.605 1.489 0 40 IDAB O=C(NCCCN1CCN(c2ncccn2)CC1)c1nc(N2CCCCC2)ncc1Cl 40153347 ZYOKNFTVDIMKHK-UHFFFAOYSA-N 444.971 1.852 0 40 IDAB O=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1nnc2n1CCCCC2 48286371 GXUDJSQDDHXKOY-UHFFFAOYSA-N 431.294 1.793 0 40 IDAB COC(CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)OC 56945773 OHCBPTJMZQRMIP-SFHVURJKSA-N 448.495 1.133 0 40 IDAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 72394881 VAVVDVFLLFAHTF-VQIMIIECSA-N 439.512 1.928 0 40 IDAB COc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)O)CC2)c1 95989485 LQCSOOPCPOVLJQ-UHFFFAOYSA-N 438.458 1.456 0 40 IDAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 100187783 HEQTYXGTZHVIOU-SUWCGCSTSA-N 429.425 1.741 0 40 IDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 108017158 WOGRMDMRZQEQQQ-INIZCTEOSA-N 431.514 1.427 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(N)=O 225862713 ZNQRDBGRFQFWDW-UHFFFAOYSA-N 447.513 1.386 0 40 IDAB C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCCN2CCOCC2)n1 225903749 FZZNXZXNKOTHEY-QGZVFWFLSA-N 449.625 1.311 0 40 IDAB O=S(=O)(c1c[nH]cn1)N1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 238924821 UNYPSTDCIKLEHI-UHFFFAOYSA-N 439.346 1.802 0 40 IDAB COc1ccc(-c2nc3sc(=Cc4ccc(OCC(N)=O)cc4)c(=O)n3n2)cc1OC 254566889 OOGLLJPFQMTWJP-UHFFFAOYSA-N 438.465 1.247 0 40 IDAB Cc1nc2cc([C@@H]3CCCN3C(=O)C3CCC3)nn2c(O)c1CCC(=O)N1CCOCC1 257270267 MTLHTNMKQBWPMT-IBGZPJMESA-N 441.532 1.998 0 40 IDAB Cc1[nH]ncc1CN1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCN(C)CC2)C1 257316964 VHSQEZMYDDQKRS-HSZRJFAPSA-N 445.539 1.671 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5cc(C)ccc5OC)C[C@H]4C3)ncnc21 1888941702 FDLRGVTZTUNBKB-IYBDPMFKSA-N 442.545 1.920 0 40 IDAB CC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 1361422 HTNVJMMMLUOUPJ-UHFFFAOYSA-N 440.485 1.535 0 40 IDAB Cn1c(=O)c(C(=O)CSc2nncn2-c2ccccc2)c(N)n(Cc2ccccc2)c1=O 3340178 JLEWCADPBRZPHR-UHFFFAOYSA-N 448.508 1.733 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 3426847 FTEREHQNWFBKNE-LFIBNONCSA-N 449.554 1.952 0 40 IDAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCN(C(=O)c2ccco2)CC1 8945437 YFLSGOCNZMMZSG-UHFFFAOYSA-N 437.500 1.544 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 9744253 PTESZMAJJORWNU-SJORKVTESA-N 441.525 1.170 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2cn(C)c3c(=O)n(-c4ccc(F)cc4)c(=O)[nH]c23)CC1 9820508 SJBJPUCAXLMRBI-UHFFFAOYSA-N 442.447 1.572 0 40 IDAB CN(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 9828908 FMCJYDIVLMVSMK-LJQANCHMSA-N 431.512 1.076 0 40 IDAB CCOC(=O)c1ccc(-n2c(C)cn3c4c(=O)n(CCOC)c(=O)n(C)c4nc23)cc1 9829434 XXOFSPXSBGEIDN-UHFFFAOYSA-N 425.445 1.270 0 40 IDAB O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1)OC[C@H]1CCCO1 12136963 DDBYWWUJLWMZRW-CABCVRRESA-N 439.921 1.267 0 40 IDAB CC(C)c1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 12444792 BKIBJPIOSPILJM-UHFFFAOYSA-N 446.573 1.852 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1 12599148 AVBLQPCGGIVLDB-UHFFFAOYSA-N 448.501 1.513 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 12797226 IXJCCKDWNXFWMF-UHFFFAOYSA-N 430.486 1.359 0 40 IDAB O=[N+]([O-])c1ccc(C=C2OS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c(S(=O)(=O)O)c1 13403106 ICNJBHQZQOCKHT-UHFFFAOYSA-N 428.356 1.967 0 40 IDAB biogenic CC(=O)N1CCc2cc(S(=O)(=O)NCCCn3nc(-c4ccco4)ccc3=O)ccc21 13799847 FHUVGRUNPWCOGF-UHFFFAOYSA-N 442.497 1.781 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 16173280 PKYLXXQGEMKMOO-UHFFFAOYSA-N 444.513 1.198 0 40 IDAB O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCN(c2ncccn2)CC1 16226492 RDMJGYNCYUBWCY-UHFFFAOYSA-N 428.452 1.431 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)CC1 16851199 DUWPKOVJTYXEMW-UHFFFAOYSA-N 433.490 1.317 0 40 IDAB CCN(CC)CCN1C(=O)[C@@H]2CN(C[C@H]3CCOC3)C[C@]2(C)NC(=O)c2ccccc21 19526395 QSWFTKBHJKEMNY-WWEVIYMKSA-N 428.577 1.832 0 40 IDAB Cc1c(C(=O)N[C@H](C)C(=O)N2CCC[C@H](C(=O)CS(C)(=O)=O)C2)oc2ccccc12 19566312 SSVPAXXJASQWAA-CABCVRRESA-N 434.514 1.712 0 40 IDAB CNc1nc([C@@H]2CCCCN2C(=O)CCN2CCOCC2)nc2c1CCN(C(C)=O)C2 19708643 TVAVLLPDFZQJPA-IBGZPJMESA-N 430.553 1.199 0 40 IDAB Cc1nc([C@@H]2CCCN(C(=O)CN3Cc4ccccc4C3)C2)ncc1C(=O)N1CCOCC1 19763988 ZRHGAKFUMQWTNO-OAQYLSRUSA-N 449.555 1.979 0 40 IDAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 23130658 ZGPMTJUYBXDIGP-OAHLLOKOSA-N 445.497 1.171 0 40 IDAB O=C(O)/C=C\C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)/C=C\C(=O)O)cc2)cc1 31623644 NDVQFCYOAORVKK-HWAYABPNSA-N 444.421 1.678 0 40 IDAB C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35365987 XKLVJEDXEYQMDS-RFCKKOPQSA-N 432.480 1.434 0 40 IDAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]([C@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)c1 36569549 VDTPQSMPHAKDCF-GAUMXTCASA-N 429.448 1.988 0 40 IDAB CN(CCOC[C@@H]1CCCCO1)C(=O)CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 36719616 GKLPXWWPAKIELI-PMACEKPBSA-N 446.592 1.803 0 40 IDAB Cc1ccc(N2C[C@H](C(=O)NCC3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1C 44003864 LVDPJUWANCAUHQ-GOSISDBHSA-N 433.574 1.977 0 40 IDAB CN(C)CCn1c(=O)oc2ccc(NC(=O)C[C@@](O)(c3nccn3C)C(F)(F)F)cc21 58104878 BSULJCOKUAFNKB-GOSISDBHSA-N 441.410 1.668 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CN(Cc2ccccc2)C[C@H]1C(=O)N1CCNCC1 72334433 AZWCTIGJCIEKFM-JYFHCDHNSA-N 448.567 1.674 0 40 IDAB Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)CN3C(=O)C(=O)c4ccccc43)CC2)on1 72396441 PMNWXKXMXKVWIU-UHFFFAOYSA-N 447.451 1.669 0 40 IDAB Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NC[C@H](O)Cc2ccccc2)c1 78757535 KAVWXWNANJOATI-GOSISDBHSA-N 425.514 1.879 0 40 IDAB CCN(c1ccc(NC(=O)CN2CCN(CCN3C(=O)CCC3=O)CC2)cc1)C(C)C 78969432 YUVZITDJQUCCIR-UHFFFAOYSA-N 429.565 1.626 0 40 IDAB CC(C)CN1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)C1 79107563 OBTVIZCURQWYLI-OAHLLOKOSA-N 437.591 1.502 0 40 IDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)Cc4ccc(OC)cc4)CC3)[C@@H]1CN(C(C)=O)C2 96262392 MOYCJPTYJLFWBT-GBXCKJPGSA-N 427.545 1.851 0 40 IDAB CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CC[C@H](c2nn(C)cc2-c2ccncc2)CC1 100744877 CNJRYOIYAHMDAN-WOVMCDHWSA-N 434.566 1.268 0 40 IDAB CC[C@@H](C(=O)NCCN1CCOCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220688011 GWLPCISSJNEEHQ-HNNXBMFYSA-N 438.377 1.986 0 40 IDAB COCCOc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(F)cc3F)CC2)cn1 225928145 RTBWQJKGVVQELG-UHFFFAOYSA-N 441.456 1.976 0 40 IDAB Cc1cc(N2CC[C@@](O)(CNC(=O)COc3ccc(CN4CCCC4)cc3)C2)ncn1 257272450 NCLSWEKHFJKCTN-HSZRJFAPSA-N 425.533 1.517 0 40 IDAB Cn1nccc1C(=O)N1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccccn1)C2=O 306131509 KGWAXGQHJAUKSD-XXBNENTESA-N 432.484 1.248 0 40 IDAB COc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)cc1C(N)=O 390829315 DNKKHNPRXSYZSI-GOSISDBHSA-N 438.527 1.345 0 40 IDAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408652881 DGLXHFDSUHOIJK-UNVVTRJASA-N 428.441 1.381 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)cc1 408653543 ILFXMYYQVLDJPR-INIZCTEOSA-N 425.441 1.679 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC 409388086 BYUAFOZDNFCNJI-QGZVFWFLSA-N 447.557 1.715 0 40 IDAB Cn1c(=O)c2ccc(NC(=O)N[C@@H]3CCN(c4ccccc4Cl)C3=O)cc2n(C)c1=O 1664749659 VFZFWNMVNGZAFZ-OAHLLOKOSA-N 441.875 1.818 0 40 IDAB Cn1cc(-c2ccc3c(c2)NC(=O)CN2CCN(C(=O)c4cccnc4)C[C@H]2CO3)cn1 1772594533 JLIMODJIBYWCEB-IBGZPJMESA-N 432.484 1.640 0 40 IDAB COC(=O)c1sc2ncn(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2c1C 814792 SLIPIBUCWSQVDY-UHFFFAOYSA-N 445.497 1.929 0 40 IDAB CCOc1cc(S(=O)(=O)NCc2ccccc2OC)c(OCC)cc1-n1cnnn1 1325377 YSGJJLAOOZMENI-UHFFFAOYSA-N 433.490 1.947 0 40 IDAB O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccccc1Br 2649349 VRICLOSBVFITOT-UHFFFAOYSA-N 432.230 1.634 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)c2nc3nccc(C)n3n2)sc(C(C)=O)c1C 3369021 FYKNZNIORFKCSK-UHFFFAOYSA-N 445.457 1.977 0 40 IDAB O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)c1ccc2c(c1)OCCO2 9001229 ZPTYSFPRDMTXGM-UHFFFAOYSA-N 430.420 1.656 0 40 IDAB CC(C)N1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2C(N)=O)C1 9390620 XPUHJJXHBDNVNV-UHFFFAOYSA-N 426.498 1.848 0 40 IDAB Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(-c3cccc(F)c3)nc2n(C)c1=O 9517596 FOHOWDZEQYWJOB-UHFFFAOYSA-N 429.477 1.548 0 40 IDAB Cn1ncc2c(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)ncnc21 12485933 PJBIIFRDHLGLQX-UHFFFAOYSA-N 430.490 1.036 0 40 IDAB CCOc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccccc2)cc1 13674775 FUERQXAROZSSSJ-UHFFFAOYSA-N 431.514 1.581 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(CN3CCOC3=S)CC2)cc1OCC 14198140 CNOARPXJDMROPG-UHFFFAOYSA-N 429.564 1.365 0 40 IDAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19239457 QCJXTQCSSSDMIU-MOPGFXCFSA-N 437.500 1.514 0 40 IDAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19527384 CZWRRQGVRDVLHS-HXUWFJFHSA-N 431.496 1.995 0 40 IDAB CN(C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C)[C@H]1CCS(=O)(=O)C1 21184543 LCYXABHTRWZJCU-ZDUSSCGKSA-N 444.966 1.785 0 40 IDAB COc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc(N)c2cc1O 22060614 DSVHRYIETHRCFI-LJQANCHMSA-N 437.456 1.415 0 40 IDAB in-vitro COCC(=O)NCCC(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 32936131 XYSMYAIGKRFLDU-UHFFFAOYSA-N 439.465 1.726 0 40 IDAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 33027013 PUKXSSUZOZJERL-YMXMSLLWSA-N 433.574 1.714 0 40 IDAB CCN(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)CC(=O)NC(C)(C)C 39990545 KEKOZSLIBXEWQK-UHFFFAOYSA-N 441.598 1.178 0 40 IDAB COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)CC1 49030504 KNUPNUROMGEKLT-UHFFFAOYSA-N 434.522 1.386 0 40 IDAB CC(C)(C)[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 79111448 JWZHGRKPLUOLLW-SFHVURJKSA-N 426.535 1.382 0 40 IDAB COC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1 89914344 WWFWTKJEQCVVTF-LHSJRXKWSA-N 434.395 1.958 0 40 IDAB COCCN1CC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)[C@]2(CCN(C)C2=O)C1 96144271 KWLFSROAYQHECO-JOCHJYFZSA-N 435.590 1.576 0 40 IDAB COc1ccc(S(=O)(=O)N2CC[C@@]3(CN(c4cccc(F)c4)C(=O)CN3C)C2)cc1 96237994 KYWPKWFVVIXBIZ-NRFANRHFSA-N 433.505 1.946 0 40 IDAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCCNC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)OC2=O 100641886 XGRKUKXYQLTUHB-BJESRGMDSA-N 434.533 1.853 0 40 IDAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1COc2ccccc2O1 224445582 YOHFOHPAEXACAX-HXUWFJFHSA-N 448.497 1.043 0 40 IDAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCN(C(=O)CNC(C)=O)C4)nc32)cc1 257225725 FHLRKAJONPHFJW-QGZVFWFLSA-N 437.500 1.335 0 40 IDAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 504200734 FVYFBZKNEKQMLO-CTNGQTDRSA-N 439.512 1.658 0 40 IDAB biogenic Cn1c(=O)c2c(nc(NCc3ccc4c(c3)OCO4)n2Cc2ccc(F)cc2)n(C)c1=O 1409288 GWJJQVODABIMGP-UHFFFAOYSA-N 437.431 1.962 0 40 IDAB biogenic COc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2N)c1 2207831 VSIOWSCGUBWALP-UHFFFAOYSA-N 434.503 1.046 0 40 IDAB O=C1CN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2N1 2636370 VXLOOMDDQYHIMZ-JXMROGBWSA-N 427.482 1.706 0 40 IDAB O=C1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2N1 2640070 RKIPXIGHGTUPRV-UHFFFAOYSA-N 429.498 1.625 0 40 IDAB CCc1nnc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[nH]2)s1 2712473 ZYJRPWSNZGDXKX-UHFFFAOYSA-N 437.532 1.811 0 40 IDAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 3409025 ZNZQSDAQYZDGJD-UHFFFAOYSA-N 426.472 1.207 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)/C=C/c1ccc(O)c(OC)c1)n2C 9467169 PZTKBZHHRMZPHW-VQHVLOKHSA-N 428.445 1.694 0 40 IDAB O=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1ccc2c(c1)OCCO2 9844588 KQUPNWSVIZPXIU-UHFFFAOYSA-N 431.445 1.799 0 40 IDAB CC(=O)Nc1cccc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)c1 10216344 DDBBDDXVWNZKRL-UHFFFAOYSA-N 427.486 1.630 0 40 IDAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1CCOCCO 10233370 AZRQHBFRALRDTH-UHFFFAOYSA-N 431.880 1.168 0 40 IDAB Cn1c(=O)c2c(SCC(=O)N3CCc4ccccc43)nc(-c3ccco3)nc2n(C)c1=O 11758256 ONBQFNQDNAGODN-UHFFFAOYSA-N 449.492 1.969 0 40 IDAB O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1)OC[C@@H]1CCCO1 12136980 QWXHNNIUOHBGEZ-GJZGRUSLSA-N 439.921 1.267 0 40 IDAB O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)NC(=O)CN1CCCC1=O 12542994 TUZKYJWMXSACQA-UHFFFAOYSA-N 442.545 1.615 0 40 IDAB O=C(CSc1ncc2ccccn12)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12550530 AJDRSLCMTWBXSU-IBGZPJMESA-N 438.509 1.937 0 40 IDAB CC[C@H](C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC 12569450 DDEFJHHJRVDANA-AFIMGQEJSA-N 426.535 1.802 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2SCC(F)(F)F)n(C)c1=O 12630086 MRCZHSARIBKIPV-UHFFFAOYSA-N 427.408 1.727 0 40 IDAB Cn1c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F 12684659 OMDUZCPDXUKGSV-GHMZBOCLSA-N 442.485 1.121 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccncc3)CC2=O)cc1 17168298 QUBOAEQPWLEGBW-KRWDZBQOSA-N 430.530 1.781 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCc2nc(N)c(C(=O)N3CCOCC3)cc2C1 19701167 UMGGJTFDAYEPQP-UHFFFAOYSA-N 446.529 1.200 0 40 IDAB CCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 19941019 IXFOLUOPYGWWHX-UHFFFAOYSA-N 448.589 1.964 0 40 IDAB O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)NC[C@@H]1CCCO1 22807572 OASPQPUCNUZCFS-FQEVSTJZSA-N 441.528 1.632 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 23043215 ORHHGFZCKZTOBD-UHFFFAOYSA-N 439.497 1.912 0 40 IDAB CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)NC(N)=O)c2)C1 23078605 ADLZPJGOTABRIL-JLTOFOAXSA-N 437.518 1.628 0 40 IDAB Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)no1 23459191 YILKYEYUZAFTKG-UHFFFAOYSA-N 432.502 1.915 0 40 IDAB CC(=O)CC(C)(C)NC(=O)CCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 32679544 UQOHPWASVNLAGC-UHFFFAOYSA-N 435.590 1.746 0 40 IDAB Cc1cc(C)n(CC(=O)Nc2ccccc2I)c(=O)c1C(N)=O 32859745 IVMWYCMBJQXJSK-UHFFFAOYSA-N 425.226 1.807 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)cc1 48374881 XTKXOCUSYRCJAP-CQSZACIVSA-N 431.580 1.443 0 40 IDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc(Cn2cccnc2=O)c1 57997350 SFWOGLMCWSADDS-UYAOXDASSA-N 427.505 1.150 0 40 IDAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(CCn2ccnc2-c2ccccc2)CC1 77158601 UQSRUCQSLVLYKR-UHFFFAOYSA-N 428.500 1.984 0 40 IDAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCC1 100431325 BSGYUIALRLVCSU-IKVZYYAVSA-N 437.540 1.921 0 40 IDAB CC[C@@H](C(=O)NCCN1CCOCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220704760 BYPVCACOHBRRAT-INIZCTEOSA-N 438.377 1.986 0 40 IDAB NC(=O)CCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 257323173 WJAGUDCZEYKAPT-CHOVIJNXSA-N 441.503 1.515 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 408702379 FGKXSDRZKFXONQ-UHFFFAOYSA-N 431.514 1.796 0 40 IDAB COc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccccc3OC)C1=O)OCO2 409238521 KVUGMSSKGURFNG-VGOFMYFVSA-N 425.397 1.964 0 40 IDAB C[C@]1(C(=O)N2CCC3(CC2)O[C@@H](C(=O)N2CCOCC2)Cn2ccnc23)CC=CCC1 2055793470 IPDRULHDIOMMRW-GCJKJVERSA-N 428.533 1.705 0 40 IDAB Cc1cnc(CNC(=O)[C@H]2C[C@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)nc1 2056226409 QLROHZIDZBNYFS-FZKQIMNGSA-N 438.410 1.275 0 40 IDAB COCCNC(=O)[C@H]1C[C@@H](NCc2ccnn2C)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O 2332241922 JJQRLOOKDWFIBS-UYWIDEMCSA-N 438.532 1.196 0 40 IDAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332242973 ANIYHBNHYWREDJ-HNNXBMFYSA-N 445.419 1.490 0 40 IDAB COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H](CCCCNC(N)=O)C(=O)O)c(C)c12 2128876 JUWDLUWPZOGUNB-AWEZNQCLSA-N 433.461 1.369 0 40 IDAB biogenic COC(=O)[C@@H](CCSC)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 3128690 CSEZXGWZPOZYTJ-GFCCVEGCSA-N 439.353 1.138 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 3314974 VUYANZDQKREEPD-UHFFFAOYSA-N 426.380 1.645 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](n2c(Br)nc3c(N)ncnc32)[C@H]2OC(C)(C)O[C@@H]21 4823701 SPIGLDZVEURWTD-SQFXPHBZSA-N 428.243 1.152 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)NCc1ccco1 8881683 WIGJTIFWTQSFPX-MUBLQREKSA-N 441.893 1.670 0 40 IDAB O=C(Cn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O)Nc1ccc(F)cc1 9409610 SZBIJXNNCONDEZ-UHFFFAOYSA-N 430.461 1.625 0 40 IDAB COc1ccc(C2=NC3(CCN(CC(=O)Nc4ccc5c(c4)OCO5)CC3)NC2=O)cc1 9526776 FEWXIMHDBIDBJR-UHFFFAOYSA-N 436.468 1.774 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccco2)c1 9577795 RBSXZJMNSPPSEY-GOSISDBHSA-N 435.502 1.066 0 40 IDAB COc1ccc([C@H](CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)N2CCOCC2)cc1 10027133 BOTCZPUZHUIGLK-ACRUOGEOSA-N 441.528 1.526 0 40 IDAB CCNC(=O)[C@H](C)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N(CC)CC)=NC2=O)c1 11409559 VDKLGKMNDMPXNF-BBRMVZONSA-N 447.561 1.609 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1ccccc1F 11906112 NZOLJHJULHGGKM-UHFFFAOYSA-N 442.490 1.422 0 40 IDAB C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1 12144280 UWKDVFDZUUGIQK-QGZVFWFLSA-N 434.500 1.311 0 40 IDAB CC1CCN([C@@H](CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2cccs2)CC1 12774902 BJQFMUGZIJEWAW-KRWDZBQOSA-N 441.557 1.897 0 40 IDAB Cc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4cccc(-n5cnnn5)c4)C3=O)n2)cc1 13127138 JDANFYRJYFZNOL-NRFANRHFSA-N 430.428 1.988 0 40 IDAB CCc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2C)s1 13844057 QTUPYBWEZUNKJY-UHFFFAOYSA-N 447.546 1.898 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCc2ccc(F)cc2)c1 14797232 VNEPCALVMOPWCF-UHFFFAOYSA-N 435.521 1.885 0 40 IDAB CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)nn2)CC1 16689906 FTMPJBRHODBOKG-UHFFFAOYSA-N 440.548 1.598 0 40 IDAB CCc1cc(=O)[nH]c([C@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(OC)cc3)C2)n1 19522475 HZTGPIJGNVPXEJ-HNNXBMFYSA-N 433.530 1.911 0 40 IDAB COc1cc(Br)c(CCNC(=O)c2cc(S(N)(=O)=O)cn2C)cc1OC 21411808 PAJCRUPYPGMCMN-UHFFFAOYSA-N 446.323 1.425 0 40 IDAB Cc1ccccc1CN1CCN(CCn2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)CC1 22816407 OTRQQRDJWDYAGB-UHFFFAOYSA-N 435.532 1.111 0 40 IDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)ccc21 23560696 LTVJXXDRTWFDJI-HXUWFJFHSA-N 440.475 1.652 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(C(=O)C(C)C)CC2)cc1 25246050 DLNWYMCCKHVTPI-UHFFFAOYSA-N 438.550 1.029 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1C(=O)NC1CC1 35413803 XRLGYKBOAJGOQA-UHFFFAOYSA-N 442.541 1.524 0 40 IDAB C[C@H]1CN(Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)s3)cc2)C[C@@H](C)O1 40154626 ZNJDLEOFQANBAQ-GASCZTMLSA-N 437.587 1.977 0 40 IDAB CCOC(=O)c1ccc(NC(=O)Cn2c(N3CCOCC3)nc(COC)cc2=O)cc1 67219775 MEEDGGGRWOFEML-UHFFFAOYSA-N 430.461 1.042 0 40 IDAB O=C1Cc2cc(S(=O)(=O)N3CCN(C(=O)[C@H]4Cc5ccccc5O4)CC3)ccc2N1 78800583 DZOUZDVXIASHDX-LJQANCHMSA-N 427.482 1.018 0 40 IDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102957620 XYSBCJWUHFEGMT-KDURUIRLSA-N 440.500 1.773 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccc(OC)cc3)no2)ccc1OC 223904497 GFBQBDHCOYXKJQ-UHFFFAOYSA-N 432.458 1.592 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCC2=O)cc1)Cc1ccccc1 225301242 CZFRQYKIIVJQEZ-UHFFFAOYSA-N 429.542 1.887 0 40 IDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(OCCN)c3)C2)c2cnccc2n1 257278099 OAUFLALJYWHRDY-DEOSSOPVSA-N 435.528 1.989 0 40 IDAB COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCOCC2)c1 257319282 VRSJDHONECMXQE-CZYKHXBRSA-N 430.476 1.846 0 40 IDAB COc1cccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c1OCc1cccc(C(=O)O)c1 408590846 IJFJRCSENWEXBB-OQLLNIDSSA-N 426.381 1.950 0 40 IDAB COc1ccc(CCNS(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1 408611558 XMAYMRLBXOBHDR-QGZVFWFLSA-N 448.541 1.842 0 40 IDAB Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCCN(c3ccc4nnc(C)n4n3)CC1)CS2 1775967867 FIEZTYKMECVNMB-HNNXBMFYSA-N 440.533 1.074 0 40 IDAB Cc1cccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2)c1 2192531 BWEKLYWSBNAZDB-HXUWFJFHSA-N 444.369 1.974 0 40 IDAB CCCCN(C(=O)COC(=O)c1cccnc1Cl)c1c(N)n(CCC)c(=O)[nH]c1=O 3535190 XLZZSTHMEANCBE-UHFFFAOYSA-N 437.884 1.567 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(C)c(C)c2)n(C)c1=O 4386344 DGGBKUNIGHOBNA-ZDUSSCGKSA-N 425.489 1.864 0 40 IDAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1C 6149005 OQZMSBJZCXRZRI-UHFFFAOYSA-N 444.517 1.358 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@H](O)COc1ccc(Cl)cc1 9369227 VGNZZMASBZSENT-VIFPVBQESA-N 429.658 1.279 0 40 IDAB O=C(CSc1nnc([C@H]2CCS(=O)(=O)C2)o1)NC[C@@H]1COc2ccccc2O1 9548887 QHRMKMRHTGUSFM-NWDGAFQWSA-N 425.488 1.020 0 40 IDAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ncc(Cc3ccccc3)s2)n(C)c1=O 9670326 GEYBSXXNGVMWPI-UHFFFAOYSA-N 438.513 1.900 0 40 IDAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 12853202 YPSHIANEKIBASU-CQSZACIVSA-N 435.889 1.859 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N=C(N2CCN(c3ccccn3)CC2)N1 14607054 MLXPKEGCFHSWRV-MRXNPFEDSA-N 442.907 1.749 0 40 IDAB O=C(CN1CCN(c2ccccn2)CC1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 15403653 IDSCCRAXVKGASN-HXUWFJFHSA-N 428.558 1.420 0 40 IDAB COCCNC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(C)C 15987280 VITVVWZAEDSBOQ-LJQANCHMSA-N 439.578 1.299 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(NC(N)=O)cc2)s1 16809780 OLMFBMHTGRNZQJ-UHFFFAOYSA-N 425.488 1.370 0 40 IDAB C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 19079984 KTMPNFKAMZQMQF-PZPWOCDFSA-N 434.514 1.095 0 40 IDAB Cc1nc([C@H]2CCN(C(=O)c3cccc(OCCN4CCOCC4)c3)C2)ncc1C(N)=O 19758134 PGVPELQEKSLERC-SFHVURJKSA-N 439.516 1.225 0 40 IDAB O=C(CCN1CCN(CC(=O)N2CCCC2)CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 22935148 YSONUSLZHBYNPY-UHFFFAOYSA-N 445.608 1.411 0 40 IDAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(=O)n(C)c3)n2C)cc1OC 23136404 KXAFPQDEMBLPNC-UHFFFAOYSA-N 443.529 1.649 0 40 IDAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCN(Cc1cccnc1)S(C)(=O)=O 32926399 BMSMSJNRUMIWDE-KRWDZBQOSA-N 448.545 1.664 0 40 IDAB Cc1noc(C)c1S(=O)(=O)NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O 72270787 NTMUCYJDGUIIIN-LLVKDONJSA-N 442.291 1.912 0 40 IDAB CC(C)Cn1nc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 95476052 KANHYVPMGRALOH-UHFFFAOYSA-N 428.514 1.559 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2[C@@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)n(C)c1=O 100166733 NNKKIUNRMVPNEQ-IAGOWNOFSA-N 425.464 1.510 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220088616 IIWSUNGGEWKNIG-UHFFFAOYSA-N 441.456 1.746 0 40 IDAB COC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1C 223599695 TYYFMIHHAGUOAV-UHFFFAOYSA-N 438.527 1.477 0 40 IDAB CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 408617440 CXDWTERYQCIIMQ-UHFFFAOYSA-N 427.523 1.397 0 40 IDAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3OC)C2)cc1 408660773 VGPSFTNTKPRACH-MRXNPFEDSA-N 439.468 1.933 0 40 IDAB CCCCn1c(=O)nc(O)c2c1nc(CN1CCC[C@@H](c3ccnc(N)n3)C1)n2CC 548936513 UVGFPEXWUJILSX-CQSZACIVSA-N 426.525 1.870 0 40 IDAB COc1ccc(CN2[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]3OCCS2(=O)=O)cc1 1534645823 IUIOTJFJXGLCPX-KNQAVFIVSA-N 446.525 1.839 0 40 IDAB O=c1/c(=C/c2ccncc2)sc2n1CN(c1ccc(I)cc1)CN=2 2260105 RGWSNEUYCZVDFY-DHDCSXOGSA-N 448.289 1.793 0 40 IDAB O=C(CSc1nnnn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 2617681 YIJXTWYVAUMISS-UHFFFAOYSA-N 444.542 1.288 0 40 IDAB CC(C)NC(=O)NC(=O)COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 8669764 ZHBCVXGTOUWXTF-UHFFFAOYSA-N 425.441 1.993 0 40 IDAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccccc4)CC3)N2)cc1 8758140 PSWZIPVVEBMRAL-HXUWFJFHSA-N 449.511 1.869 0 40 IDAB CCOC(=O)N1CCN2c3cc(Cl)ccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 8773671 OQURATWSWSOLSI-HNNXBMFYSA-N 434.880 1.580 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@H]3c3cccn3C)CC2)cc1 8918735 DIFMDFSKQAXVOT-NRFANRHFSA-N 446.573 1.704 0 40 IDAB O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)Nc1ccc2c(c1)OCCO2 9001363 WLKWUPCIMBMSIX-UHFFFAOYSA-N 445.435 1.411 0 40 IDAB CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccc(OC)cc1 9466986 VVSZPUGWVLODAC-UHFFFAOYSA-N 432.502 1.340 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(CO)cc3)CC2)cc1 9493417 QHCKRJCWRSUYOF-UHFFFAOYSA-N 432.498 1.177 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 9515448 SGBFXAQKPBSHQI-UHFFFAOYSA-N 448.545 1.083 0 40 IDAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)[C@H](C)Oc2ccccc2)CC1 9570161 IVHITJMVIDKKOE-SFHVURJKSA-N 447.557 1.731 0 40 IDAB CCn1c(COC(=O)Cn2c(C)csc2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 9634027 YRLDJGUEISGUIR-UHFFFAOYSA-N 438.531 1.582 0 40 IDAB Cc1c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)c(=O)n(-c2ccccc2)n1C 10188074 XJRLOXOIWAIFQI-CQSZACIVSA-N 440.481 1.656 0 40 IDAB COc1ccc(OC)c(CCNC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 12005955 BXRUWJKJPLQQEE-CQSZACIVSA-N 432.498 1.989 0 40 IDAB biogenic C[C@H](C(=O)NCCCN1CCCC1=O)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 12086361 VKRTZIBLCCPPAL-OSPHWJPCSA-N 441.528 1.920 0 40 IDAB COc1ccc2c(c1)NC1(CCN(C(=O)Cc3ccccc3OC)CC1)NS2(=O)=O 12142595 NXKICXYKLQDSIE-UHFFFAOYSA-N 431.514 1.969 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 13009226 RFKBLQOTAOXRTM-UHFFFAOYSA-N 427.490 1.132 0 40 IDAB COc1cccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)c(C)c2)c1 13371865 XUBJPAIPSZTKEI-PMACEKPBSA-N 441.546 1.914 0 40 IDAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)CC(=O)NC2CC2)cc1 14188524 GNJFUAZACJOIPI-UHFFFAOYSA-N 431.514 1.871 0 40 IDAB CCN(CC)CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@]2(C)NC(=O)c2ccccc21 19526388 ZIWOYMXXILCMPL-BKJGLDIHSA-N 426.561 1.978 0 40 IDAB CCN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1 19624606 WZUBMARCOGTQAG-UHFFFAOYSA-N 434.903 1.402 0 40 IDAB biogenic,in-vitro CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)nc2ccccc12 19759098 WFHALYSRGHPADG-OAQYLSRUSA-N 449.511 1.928 0 40 IDAB Nc1nc(C2CCN(C(=O)CN3CCOCC3)CC2)ccc1C(=O)NCc1ccccc1 19765941 KVHRPQUZMBZQHK-UHFFFAOYSA-N 437.544 1.632 0 40 IDAB CCn1c(=O)c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)CN3CCOCC3)cc21 21777351 AJZWIZASCVXLSC-UHFFFAOYSA-N 443.548 1.464 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc2nnn(OCC(=O)N(C)Cc3cccs3)c2c1 22884048 JVXGCGSTXNWYGC-UHFFFAOYSA-N 437.547 1.611 0 40 IDAB O=C(c1ccccc1F)N1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 22892228 BLLUIDXWMVJBRA-UHFFFAOYSA-N 447.532 1.805 0 40 IDAB COc1ccc(OC)c(NC(=O)CN2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c1 29450204 WYKXLFNTYNOLGS-UHFFFAOYSA-N 437.500 1.468 0 40 IDAB O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)NCc3ccccc3F)c2)C1 31772778 LINRPEHGBSRLNF-INIZCTEOSA-N 447.531 1.265 0 40 IDAB CN1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 39939586 WFKXZFBMRIULNW-UHFFFAOYSA-N 441.513 1.954 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1 58373010 VOTZHGNJGFLSKP-UHFFFAOYSA-N 429.429 1.249 0 40 IDAB CCC1(CC)NC(=O)N(CC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)C1=O 95348632 WJZJSDLOEFQLJV-QGZVFWFLSA-N 449.939 1.121 0 40 IDAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCc3nc4ccccc4n3C)C2=O)cc1 96232231 CJXOSVWXICZRPQ-SFHVURJKSA-N 435.484 1.751 0 40 IDAB O=c1c(CN2CCCCCC2)coc(O)c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 101374573 YRRZOAXMZNQRFR-GOSISDBHSA-N 439.578 1.026 0 40 IDAB C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1 102143733 GAWIBCKBLZQJIL-AEKNLGIRSA-N 431.562 1.657 0 40 IDAB COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2)cc1C(=O)N1CCOCC1 224034363 PQINSRCWVYGUJW-UHFFFAOYSA-N 434.514 1.833 0 40 IDAB C[C@H]1CCCN(CCCNC(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)C1 253604425 VPOWUNSYBKEPHO-GAJHUEQPSA-N 442.564 1.184 0 40 IDAB CC(=O)c1ccc(N2CCN(C(=O)C3CN(c4cc(-n5cncn5)ncn4)C3)CC2)cc1 575610252 UZBJMEVJUBHIMM-UHFFFAOYSA-N 432.488 1.045 0 40 IDAB O=C(Nc1ccccc1)NC1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 1251220060 HWUBFTWEPKKSHZ-UHFFFAOYSA-N 449.519 1.548 0 40 IDAB CCOc1ccc(-c2cc(C(=O)N3CCN(c4cc(=O)n(C)c(O)n4)CC3)n(C)n2)cc1 1565522893 VMHOWZFDEIFJFY-UHFFFAOYSA-N 438.488 1.248 0 40 IDAB O=C(NC1CCCC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)Cn2ccccc2=O)C1 2055793212 AHRGWTVQGXQEKI-HSZRJFAPSA-N 438.532 1.367 0 40 IDAB Cc1nonc1OCC(C)(COc1nonc1C)NS(=O)(=O)c1ccc(Cl)cc1 3095100 PQNJUPLYXQEWDJ-UHFFFAOYSA-N 443.869 1.918 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)c(=O)n(C)c1=O 3250137 BYCKQTMKSFZTTC-FMIVXFBMSA-N 431.495 1.756 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1 4411547 LEFQUFSRGTYIEU-UHFFFAOYSA-N 440.547 1.718 0 40 IDAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)NCC(=O)O)CC1 8917865 SVIYVSKTJDGYPD-KRWDZBQOSA-N 433.505 1.562 0 40 IDAB biogenic CCN1CCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N(CC)CC)cc12 9223480 VXUWWNJKKZZJCN-HNNXBMFYSA-N 434.562 1.773 0 40 IDAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(-n4cnnn4)c3)cc2)C[C@@H](C)O1 9256503 VLPJZIWBRHIARX-HUUCEWRRSA-N 442.501 1.713 0 40 IDAB CN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)C1=NS(=O)(=O)c2ccccc21 9365783 BDBUDFMDGNCLEL-UHFFFAOYSA-N 426.498 1.511 0 40 IDAB CCCN(C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 9579970 OWGZKGAGMQPIRN-KKSFZXQISA-N 433.530 1.196 0 40 IDAB COc1ccc(OC)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 9584417 BLLBRPXYPKVRFV-QFIPXVFZSA-N 441.440 1.881 0 40 IDAB CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C3\C(=O)Nc4ccccc43)c(=O)n12 9971346 IZKAOEVHZXAETM-FVCXHJGLSA-N 431.473 1.597 0 40 IDAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1CCOCCO 10233642 NIXCMFFKLHGIRP-UHFFFAOYSA-N 445.907 1.477 0 40 IDAB CCCN(C(=O)COC(=O)Cc1csc(-c2ccccn2)n1)[C@@H]1CCS(=O)(=O)C1 11252962 SCBXEWQZLMOXPD-OAHLLOKOSA-N 437.543 1.717 0 40 IDAB O=C(NCCNS(=O)(=O)c1cccc2nonc12)c1ccccc1Br 12409368 OFOZFVCWRPBBAB-UHFFFAOYSA-N 425.264 1.694 0 40 IDAB CCCn1c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nc2ccccc2c1=O 12582480 QOBUBWBISHWFDK-UHFFFAOYSA-N 440.529 1.736 0 40 IDAB COc1ccc(CNC(=O)C[C@@H]2O[C@H](CNC(=O)Nc3ccc(C)cc3)[C@@H](O)[C@H]2O)cc1 12603561 IHTBSRFFWBOHSD-YUVXSKOASA-N 443.500 1.321 0 40 IDAB biogenic,in-vitro CCOC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 13116256 KEQAZUYHIWFLOF-KRWDZBQOSA-N 433.505 1.396 0 40 IDAB Cc1c(OCC(=O)N2CCC(C(=O)NCCCO)CC2)ccc2c3c(c(=O)oc12)CCC3 13607152 QGMJRVUSTPETBX-UHFFFAOYSA-N 442.512 1.706 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13848529 LLTOVXKTEWHFCC-UHFFFAOYSA-N 432.481 1.660 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15969316 SEVGYGLCWSWWEZ-WKVINZIJSA-N 446.507 1.142 0 40 IDAB biogenic COc1ccc2[nH]cc([C@@H](O)CN3CCN(S(=O)(=O)N4CCC(C)CC4)CC3)c2c1 19496930 LGUREZRHRFECEL-NRFANRHFSA-N 436.578 1.804 0 40 IDAB C[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1 19575428 SVWMSKTWGZIRGR-GDBMZVCRSA-N 431.514 1.205 0 40 IDAB Cc1nc(CN(C)S(=O)(=O)c2cn(C)cn2)nc2c1CCC(=O)N2Cc1ccccc1 19698591 PJGIZBXVUUSBBK-UHFFFAOYSA-N 440.529 1.819 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)C[C@H](C)n3cccn3)CC1)C2=O 19700692 LHFBQAMTMQXKDQ-SFHVURJKSA-N 444.580 1.869 0 40 IDAB CCCCN(Cc1cc(=O)n2cccc(C)c2n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 22992673 FYRRCDHEDQIOHV-UHFFFAOYSA-N 426.521 1.898 0 40 IDAB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(N2CCCS2(=O)=O)cc1 32901191 DCTGKJQSFONECX-UHFFFAOYSA-N 443.525 1.629 0 40 IDAB O=C1c2ccccc2C(=O)N1CCc1nnn(CC(=O)N2CCCc3cccc(F)c32)n1 32909121 BNTBSMODUFNXMG-UHFFFAOYSA-N 434.431 1.630 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C(=O)N2CCOCC2)c2ccccc2)CC1 35400008 WRXKAOSSLVYZRD-IBGZPJMESA-N 448.545 1.198 0 40 IDAB O=C(CN1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1)N1CCOCC1 36389531 JYBURBGTCDZHAC-UHFFFAOYSA-N 448.527 1.096 0 40 IDAB CCOc1ccc(NC(=O)c2ccc(=O)n(CCOC)c2)cc1S(=O)(=O)N1CCCC1 40146569 HKDVQBASECFPTB-UHFFFAOYSA-N 449.529 1.930 0 40 IDAB Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)c3ccc(S(N)(=O)=O)cc3)n2)s1 49030756 JBOKGTDWJZSSER-UHFFFAOYSA-N 433.515 1.061 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 56907949 UUEZWHNENQZNQB-MOPGFXCFSA-N 446.573 1.976 0 40 IDAB COc1ccc(CCN2C[C@H]3CCN(C(=O)c4cnc(C)cn4)CC[C@H]3S2(=O)=O)cc1 96145519 JVNYYGQPYBIYRB-WIYYLYMNSA-N 444.557 1.903 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2COc3ccccc3O2)cc1OC 225283422 KYTOBQJAMKIFTA-CQSZACIVSA-N 436.486 1.281 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(-c4ccccc4F)no3)CC[C@@H]2O)CC1 257245078 IOACRQKZQATZHZ-PMACEKPBSA-N 430.480 1.610 0 40 IDAB CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@H](O)[C@@H](N(C)C(=O)c2cccc(C)n2)C1 257343905 ZUVMFJJJAFXXAW-ZPFZUWPUSA-N 425.529 1.810 0 40 IDAB CC(=O)N1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCn4cccn4)cc3)C2)CC1 585271310 WAVKTEDGLGPJSH-QHCPKHFHSA-N 427.549 1.063 0 40 IDAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCc1cc(=O)n3cc(Br)ccc3n1)CS2 3397415 SXZQAKATRVHUGV-YVEFUNNKSA-N 438.303 1.954 0 40 IDAB COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)c1 8927533 COQFMTYEAONEJX-OAHLLOKOSA-N 444.415 1.762 0 40 IDAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)NC(=O)NC1CCCCC1 9672649 KYGGZGYKETVRCO-IBGZPJMESA-N 430.505 1.271 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4cc(OC)ccc4OC)c(C)cn23)n(C)c1=O 9713105 YYDVLOFQGQPWOY-UHFFFAOYSA-N 441.444 1.027 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCCc2ccco2)cc1 9745441 WOUGHKQODFZLTR-SFHVURJKSA-N 447.557 1.996 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2)C[C@H](C)O1 12139983 GTXJDDQTAFJMIO-STQMWFEESA-N 443.481 1.620 0 40 IDAB CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(C(=O)OC)cc1 12856855 ILDHOERVCZVMAA-WBVHZDCISA-N 436.486 1.564 0 40 IDAB CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 14094709 POKIPGICPSLWML-HXUWFJFHSA-N 429.454 1.258 0 40 IDAB CCCn1c(=O)n(CC(=O)Nc2ccc(F)c(F)c2)c(=O)c2c1nc(C)n2CCOC 14358297 MXHRRNHXHIZBHQ-UHFFFAOYSA-N 435.431 1.641 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 16737093 ZGXJSWSVSJZXQP-UHFFFAOYSA-N 426.516 1.706 0 40 IDAB COc1cc(CCC(=O)N2CCC[C@H](c3cc4nc(N(C)C)ncc4c(=O)[nH]3)C2)on1 19585633 LNDDSLBJCVIIRF-ZDUSSCGKSA-N 426.477 1.720 0 40 IDAB COCCNC(=O)c1cc([C@@H]2CCN(C(=O)Cn3nc(C)nc3C)C2)nc2ccccc12 19756905 MSRNUGUMRMXVNB-QGZVFWFLSA-N 436.516 1.835 0 40 IDAB Cc1nc([C@H]2CCCCN2CC(=O)N2CCC(N3CCCCC3)CC2)ncc1C(N)=O 19764505 GLYAQLVCMVPTKY-HXUWFJFHSA-N 428.581 1.888 0 40 IDAB Cc1cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1CCN1CCOCC1 20061989 VWYZKXVSBMHSQX-UHFFFAOYSA-N 436.516 1.033 0 40 IDAB Cc1ccc(C)c(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 22228680 FGTBRTSRMNSRDF-UHFFFAOYSA-N 445.541 1.622 0 40 IDAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(OC)cc2OC)N2CCOCC2)cc1 23107442 QCVWIXSPMQQCPA-HXUWFJFHSA-N 443.500 1.841 0 40 IDAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 23818249 QHQQNJPIANYDRI-OPAMFIHVSA-N 426.425 1.825 0 40 IDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CCNC3=O)CC2)c(C)c1C 24835966 AOQXFQQZJXBXKB-SFHVURJKSA-N 436.578 1.475 0 40 IDAB COCCn1cnc2c1c(=O)n(C[C@H](O)COc1cc(C)ccc1C)c(=O)n2CC(C)C 25058994 NNOIUQSBQMPKDI-SFHVURJKSA-N 444.532 1.719 0 40 IDAB CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 28052381 GLMYWRMAGONTTH-UHFFFAOYSA-N 435.877 1.472 0 40 IDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)c1 33026451 PCXBIFLGMDLIDL-UHFFFAOYSA-N 429.495 1.383 0 40 IDAB NC(=O)C1CCN(c2nc(N3CCOCC3)c3cnn(-c4ccc(F)cc4)c3n2)CC1 36656932 DCQUDTJJTJTVFD-UHFFFAOYSA-N 425.468 1.493 0 40 IDAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 40104476 ASQGMGPGVMPEQP-UHFFFAOYSA-N 439.538 1.029 0 40 IDAB CSc1nnnn1-c1cccc(NC(=O)NCc2cccnc2N2CCOCC2)c1 40104997 KLULVTOYBTWCHB-UHFFFAOYSA-N 426.506 1.938 0 40 IDAB CN(C(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)[C@@H]1CCS(=O)(=O)C1 44892456 SDJLATXYDAUTBL-CQSZACIVSA-N 440.319 1.318 0 40 IDAB COc1ccc(NC(=O)Cn2nc3c(N4CCC[C@@H](C)C4)nccn3c2=O)cc1OC 49399831 HLXMRQXRRBJOGR-CQSZACIVSA-N 426.477 1.783 0 40 IDAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)Nc3nccs3)C2)CC1 79017815 FJGIRXRUPYUFGW-UHFFFAOYSA-N 431.540 1.242 0 40 IDAB CC(C)COC[C@@H](O)CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 84544427 DDIALFCTZFFXDS-IBGZPJMESA-N 426.579 1.944 0 40 IDAB COC(=O)CN(CCC(F)(F)F)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 95409561 GTVKOJWNUWMXPK-UHFFFAOYSA-N 426.775 1.780 0 40 IDAB COc1ccc(CN2CCN(C(=O)COc3c[nH]c(C)cc3=O)CC2)c(OC)c1OC 95473004 DSOMCPPPGLEXRT-UHFFFAOYSA-N 431.489 1.432 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102868316 IXVNDXKDVOKAKG-IRXDYDNUSA-N 433.530 1.391 0 40 IDAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2OC)C1 138799309 GSAFYGOZEHJAPE-MRXNPFEDSA-N 439.468 1.933 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222912280 SYGQLJKJTQODBS-INIZCTEOSA-N 443.525 1.427 0 40 IDAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224039996 NPNCRTCLPJEREH-AHRSYUTCSA-N 441.528 1.890 0 40 IDAB O=C(C[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CCN(Cc2cccnc2)CC1 524733871 XQPQSXFKRYJJET-KRWDZBQOSA-N 447.417 1.658 0 40 IDAB CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 1668572512 NNHPFTFAPGRBSY-LJQANCHMSA-N 431.514 1.284 0 40 IDAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCCN(c2ccc3nnc(C)n3n2)CC1 1775972692 RFVHQYWZAZGRBS-UHFFFAOYSA-N 430.534 1.959 0 40 IDAB COc1cc(C)ccc1S(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888930533 NXYHSBQKITZWAX-GASCZTMLSA-N 428.518 1.437 0 40 IDAB C=CNC(=O)NC(=O)CSc1nc(=O)c(-c2ccccc2NC(=O)C(F)(F)F)n[nH]1 8655814 CYQLPVMZNVODLN-UHFFFAOYSA-N 442.379 1.394 0 40 IDAB O=C(CCNC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCc1ccccn1 9423768 VEMHDNUQEVYNLJ-UHFFFAOYSA-N 434.500 1.737 0 40 IDAB CCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)c(=O)[nH]c1=O 9545037 REMXAZIKTCUJRD-UHFFFAOYSA-N 442.303 1.589 0 40 IDAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NCC(=O)Nc1ccc(F)c(F)c1F 10914645 KGNNCFRCDGOPFX-UHFFFAOYSA-N 448.357 1.181 0 40 IDAB COCCn1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 11666208 VUWAARFAHWGHJR-UHFFFAOYSA-N 449.511 1.480 0 40 IDAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)NC[C@H]1Cc2ccccc2O1 12085679 PBCZZAJPNFRQEJ-OSPHWJPCSA-N 435.480 1.638 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCC[C@@H](C)C2)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12251458 LHUSJJHDSRWDLS-CYBMUJFWSA-N 440.479 1.776 0 40 IDAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1c[nH]n3c(=O)c4ccccc4nc13)C2 12666548 KRFPFQCHFJSYLH-UHFFFAOYSA-N 425.452 1.879 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1C(N)=O 12865222 BQTNONPFRUJTHH-UHFFFAOYSA-N 428.873 1.063 0 40 IDAB Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1CCCN1CCOCC1 13511976 RASRRQCOPANSBX-UHFFFAOYSA-N 435.550 1.520 0 40 IDAB Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 16010026 NWPDCQTUHRNAIP-RPWDQDSNSA-N 444.919 1.577 0 40 IDAB Cc1cc(C)n(CCCC(=O)N2CCC[C@H](c3c(C)c(=O)nc4n3CCC4)C2)c(=O)n1 19572566 XIORXGNNTLAJKF-SFHVURJKSA-N 425.533 1.858 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)COc3ccccc3)C1)C2=O 19699619 DMELUWWZQNTGSW-KRWDZBQOSA-N 442.516 1.379 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 22509246 BCJYJZUTUBSWQN-SFHVURJKSA-N 437.591 1.837 0 40 IDAB COc1cc2[nH]c3c(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)cnc3c2cc1OC 23126006 LMNSFQAIPGCJHI-UHFFFAOYSA-N 448.483 1.639 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)n(C)c1=O 24982640 RJXVQNLRKVWSLL-UHFFFAOYSA-N 445.785 1.667 0 40 IDAB CCCCN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 35375302 UXKZVKPESZJUQE-FVMVMODRSA-N 436.306 1.350 0 40 IDAB COc1cc(C(=O)NCC2CCN(C(=O)c3cccn(C)c3=O)CC2)cc(OC)c1OC 44001045 YDGKRGOKPXREGV-UHFFFAOYSA-N 443.500 1.693 0 40 IDAB Cc1cc(N2CCOCC2)ccc1NC(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 48275813 UDWQPURBYUTZNA-IAGOWNOFSA-N 440.566 1.392 0 40 IDAB COc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3ccccc3F)c2N)cc1OC 67240312 ONJJBYQOGQZIHP-UHFFFAOYSA-N 442.451 1.628 0 40 IDAB Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)N2CCOCC2)c(=O)c1CCO 67301429 ARLVIXFSIXQJEI-UHFFFAOYSA-N 425.407 1.631 0 40 IDAB Cc1ccsc1[C@H](O)CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 77200840 AYRSOFAAKXEPBY-MRXNPFEDSA-N 430.573 1.998 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2)CC1 95392695 OIWUMQQGSUSXKJ-UHFFFAOYSA-N 444.513 1.559 0 40 IDAB C[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)CN1CCN(C)CC1 95461382 UXHFBKZYIUTTAT-QGZVFWFLSA-N 441.580 1.503 0 40 IDAB Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(CCOc2ccccc2)CC1 95472979 NXIZSZUUCIGMSK-UHFFFAOYSA-N 442.560 1.120 0 40 IDAB COCCNC(=O)Cn1nc2c(c1NC(=O)/C=C/c1ccc3c(c1)OCO3)CSC2 97603972 RQGSONBWBVBMAS-HWKANZROSA-N 430.486 1.773 0 40 IDAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCC(N)=O 108234874 SPMORVCAFNGJOX-ZSOIEALJSA-N 443.412 1.422 0 40 IDAB Cc1nc2cc(C(=O)N(C)[C@H]3CCC[C@H](n4cnc5c(N)ncnc54)[C@H]3O)ccc2n1C 257220294 DKHCOZIZGVCLHM-LNLFQRSKSA-N 434.504 1.830 0 40 IDAB COc1ccc(NC(=O)CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1Cl 257227553 FPWPJIKWGFTCEH-WMZOPIPTSA-N 431.942 1.148 0 40 IDAB COc1ccc(-n2c(O)ncc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c2=O)cc1 575621395 WPKKSZGDHKIGEB-UHFFFAOYSA-N 448.483 1.577 0 40 IDAB COc1cccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C5CCOCC5)[C@H]4C3)CC2)c1 585282287 CSSOUSSUUUMNLS-VXKWHMMOSA-N 445.560 1.117 0 40 IDAB CN1CCN(CC(=O)N2CCOCC2)CCOc2ccccc2Oc2ncccc2C1=O 643575539 LWJXKMMQMGHWMA-UHFFFAOYSA-N 440.500 1.499 0 40 IDAB COc1ccc(CN2[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@@H]3OCCS2(=O)=O)cc1 1534645898 RDMWQGXEFZDTRP-MSOLQXFVSA-N 435.502 1.355 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccc(OC)cc5)C[C@@H]4C3)ncnc21 1888935233 CFVQDHKWVLCTGI-GJZGRUSLSA-N 428.518 1.612 0 40 IDAB Cc1nn(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)cc1Cl 2732956 RQGKIPNLSREJNV-HNNXBMFYSA-N 442.973 1.494 0 40 IDAB O=C1NCCC[C@@H]1NC(=O)[C@@H]1CN(C(=O)c2cccs2)CCN1C(=O)c1ccccc1 5434235 TZSWUUGWRXQXNH-IRXDYDNUSA-N 440.525 1.110 0 40 IDAB biogenic,in-vitro COc1ccccc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 9631433 KZVLPESTFPUDFJ-UHFFFAOYSA-N 446.529 1.281 0 40 IDAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9727652 KPJIHDMTAXAWCB-UHFFFAOYSA-N 447.557 1.370 0 40 IDAB COc1cc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc(OC)c1OC 11867265 UXFOHEKXMJPWPM-FQEVSTJZSA-N 442.468 1.837 0 40 IDAB COc1ccc(C(=O)NCCCOc2ccccc2)cc1S(=O)(=O)N1CCOCC1 13007333 DDAMKNQKGHAPDQ-UHFFFAOYSA-N 434.514 1.915 0 40 IDAB CCN1C(=O)[C@H](NC(=O)C(=O)NC[C@@H]2CCCN2CC)c2cc(Br)ccc21 13624071 PLBGGYHBAOLZIC-XJKSGUPXSA-N 437.338 1.573 0 40 IDAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)N1CCOCC1 15221841 PCDLZKQEXKXZAO-CQSZACIVSA-N 444.937 1.919 0 40 IDAB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 19575334 XFNASZKKNLWFAK-PMXSJFBMSA-N 426.561 1.576 0 40 IDAB NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 22247023 TVRMXWLAHGPRLC-IBGZPJMESA-N 433.505 1.439 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1 22393615 WADLWXHKTVBBIL-UHFFFAOYSA-N 447.485 1.620 0 40 IDAB CSc1ccc(C(=O)CCC(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 22531944 NWMQZEKJAGMCIB-UHFFFAOYSA-N 444.513 1.752 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncc(C(N)=O)s3)CC2)cc1 23054840 WAWIOCNDSUGBAW-UHFFFAOYSA-N 438.531 1.680 0 40 IDAB C[C@]1(c2ccco2)NC(=O)N(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1=O 23806043 PSBHWKLQJGQFGH-ZVYZCIRASA-N 444.513 1.622 0 40 IDAB Cc1cccc(OCCN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 24528107 UIHYLXIJWNGDQH-UHFFFAOYSA-N 446.573 1.612 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 31808273 YXGUDKLDLJFPEG-JTQLQIEISA-N 444.872 1.204 0 40 IDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 32882408 HBEWHVLXLDWOIP-QFIPXVFZSA-N 441.553 1.929 0 40 IDAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 32990942 DHFDIXXDGUDQGP-OAHLLOKOSA-N 435.933 1.991 0 40 IDAB Cc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 36365745 CLVLBDPVXGNQFJ-UHFFFAOYSA-N 441.510 1.237 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 36664288 VSJVHBOAVFLYFW-HXUWFJFHSA-N 429.542 1.948 0 40 IDAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 44900950 CKIHLGZHFQZVMR-INIZCTEOSA-N 428.986 1.815 0 40 IDAB COc1ccc(Br)cc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 59828614 XOYWRGULBAXCNM-LLVKDONJSA-N 444.307 1.562 0 40 IDAB O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 65515083 MCXPJUPCGSKDGC-QZTJIDSGSA-N 430.505 1.839 0 40 IDAB CCOc1ccccc1-n1ccn(CC(=O)NCc2cccc(OC)c2OC)c(=O)c1=O 67256695 TVFUHRMEBBCPLH-UHFFFAOYSA-N 439.468 1.732 0 40 IDAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)CN(C)S(C)(=O)=O)s2)c1C 70635023 MLCMQLXCZRBAID-UHFFFAOYSA-N 443.576 1.716 0 40 IDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2)NC[C@H]1CCCO1 71280389 FLNLYNCHYZOHMN-CYBMUJFWSA-N 436.266 1.091 0 40 IDAB C[C@@H](OC(=O)Cc1nn(CCO)c(=O)c2ccccc12)C(=O)N1CCCc2ccccc21 72312585 HSDXXDRSBHEUPM-MRXNPFEDSA-N 435.480 1.842 0 40 IDAB COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4c(c3)OCCO4)CC1)NS2(=O)=O 72327977 HLHXQMHBAYSIMC-UHFFFAOYSA-N 445.497 1.803 0 40 IDAB O=C(Cn1cc(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)cn1)NCCO 95993495 KWTJAEDEBVYQRO-UHFFFAOYSA-N 433.266 1.192 0 40 IDAB COCCNC(=O)[C@@H](C)NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(C)cc2)CC1 101439872 AWKCENBFUQTOKC-KURKYZTESA-N 439.578 1.347 0 40 IDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCc1cc(=O)n2cc(Br)ccc2n1 102231550 HOMGKHYGVFEQLI-OKILXGFUSA-N 448.273 1.675 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 225207125 NONNTFDVQBLZAS-MRXNPFEDSA-N 443.525 1.775 0 40 IDAB COCC(=O)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 225477653 SFVGPYYBDLJNJR-UHFFFAOYSA-N 431.562 1.317 0 40 IDAB biogenic,in-vitro C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)C[C@@H](C)O1 227003378 HARZAVKWKDZNJH-GYSYKLTISA-N 443.572 1.093 0 40 IDAB Nc1ncnc2c1ncn2[C@@H]1CN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)C[C@H]1O 257209085 BOWPQKNFZISGQF-CHWSQXEVSA-N 446.393 1.221 0 40 IDAB Cn1cc(C(=O)N2CC[C@H](c3ccc4c(=O)n(C)c(=O)n(Cc5ccccc5)c4n3)C2)cn1 257329421 XJYFVGYDUWOSRG-KRWDZBQOSA-N 444.495 1.507 0 40 IDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CCN(C(=O)Cc4ccccc4)C[C@H]32)cc1 306129515 IFPZRCZWNHZABL-SFTDATJTSA-N 430.508 1.950 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408652856 DDLNBMFQYOMEJQ-TUEPYVCHSA-N 428.441 1.375 0 40 IDAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704978 WPHAHGDGUSHRMP-KRWDZBQOSA-N 445.541 1.961 0 40 IDAB CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)CC1 409390805 LMSAVEWNRRDQTC-OAHLLOKOSA-N 429.970 1.913 0 40 IDAB CC(C)[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)N1CCN(c2ncccn2)CC1 639519428 KOSQGLDYUDCAMD-CVEARBPZSA-N 432.554 1.108 0 40 IDAB Nc1nc(Cl)c(N)c(NC[C@H](O)COc2ccc(I)cc2)n1 1651485113 LSIRZGOSVHKLHJ-QMMMGPOBSA-N 435.653 1.751 0 40 IDAB Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 3333170 MOQFOHJVYXPQPR-MRXNPFEDSA-N 436.486 1.673 0 40 IDAB COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCC(N)=O 3659280 YKYNTEVLWUBRTH-SXGWCWSVSA-N 438.440 1.399 0 40 IDAB O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 9420346 GQBUIVRKZRCAFU-FQEVSTJZSA-N 449.463 1.184 0 40 IDAB CCOc1ccccc1Nc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1 9510308 YIGIASPZGVQXGS-UHFFFAOYSA-N 448.530 1.635 0 40 IDAB Cc1ccccc1OCC(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569899 SSGNEDXVONNZNS-UHFFFAOYSA-N 435.521 1.781 0 40 IDAB CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(OCC)ccnc3n(C)c2=O)cc1 9571881 IYHWQJSZAHSKCD-UHFFFAOYSA-N 426.429 1.309 0 40 IDAB CCN(C(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl)[C@H]1CCS(=O)(=O)C1 12003484 YHQVTUBJQWRPNQ-LBPRGKRZSA-N 434.923 1.056 0 40 IDAB O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 15592724 ALINAFLYWKEBHO-UHFFFAOYSA-N 431.558 1.689 0 40 IDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1C 15634488 JEVMDKOTKLKYCD-UHFFFAOYSA-N 433.530 1.997 0 40 IDAB Cc1c(C(=O)NC[C@H](C)O)sc2nc3n(c(=O)c12)CCN(Cc1ccccc1)CC3 19565190 AOEJGASUGWSONU-AWEZNQCLSA-N 426.542 1.935 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)CN2CCCC2=O)n1 19690037 GIBFYSRMYKCNIP-GOSISDBHSA-N 436.516 1.594 0 40 IDAB Cc1nc(C)n(CC(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ccccc34)C2)n1 19697791 GJOANOZAQBYXRP-MRXNPFEDSA-N 443.529 1.432 0 40 IDAB CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccc4c(c3)OCCO4)C1)C2=O 19699898 WYWZXUOPENQTBY-QGZVFWFLSA-N 442.516 1.469 0 40 IDAB COCCN1C[C@H](c2cc(N(C)C)nc(CN(C)S(=O)(=O)c3ccccc3)n2)CC1=O 19700987 ADRNWGQZRUXXFH-MRXNPFEDSA-N 447.561 1.326 0 40 IDAB COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(C)CC3)c(=O)[nH]c2cc1OC 20084135 DUDZGQRGEZBHCQ-IBGZPJMESA-N 441.536 1.624 0 40 IDAB C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)N1CCNC1=O 23277540 SBKUMHMDJVVRGV-SNVBAGLBSA-N 431.898 1.514 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)cc1 23674076 XLVFQSOAABSZII-UXHICEINSA-N 426.579 1.673 0 40 IDAB CCn1nnc2cc(C(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)ccc21 26058652 QSKCGWHWLAMXIK-UHFFFAOYSA-N 429.502 1.402 0 40 IDAB O=C1CN(c2ccc(NC(=O)C3(NC(=O)NCc4ccccc4)CCCC3)cn2)CCN1 27266179 URIIPNIYVNQFCP-UHFFFAOYSA-N 436.516 1.769 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)S[C@H]([C@H]3SC(=O)NC3=O)C2=O)cc1 65090516 ANODIKIDQNDLGU-VXGBXAGGSA-N 437.455 1.217 0 40 IDAB O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCSCC1 72329727 VQFNRQSORQFZNB-UHFFFAOYSA-N 429.458 1.367 0 40 IDAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCC1(C)OCCO1 89919724 YJGRQJAWCDMZNY-UHFFFAOYSA-N 432.498 1.939 0 40 IDAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3ncccc32)cc1 95433548 ABWFUUABWSEAGZ-CQSZACIVSA-N 426.516 1.871 0 40 IDAB CN(C)C(=O)CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 96263952 VVOZOKBIBIAIDX-OALUTQOASA-N 444.557 1.586 0 40 IDAB COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1OCC(=O)O 214678572 RJHUKELLENNWPQ-NTEUORMPSA-N 436.442 1.054 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5cccnc5)[C@@H]34)[C@@H]2C1=O 217620670 MLQZGIPLWFHGLW-IZNGBOISSA-N 443.506 1.389 0 40 IDAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 222607889 ALCAXMGTNURDTN-GFCCVEGCSA-N 443.323 1.787 0 40 IDAB O=C(NC1CC1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)[C@H](C(=O)NC3CCCC3)[C@@]23C=C[C@H]1O3 245227449 NJLJHIDQRZZBGL-RRFSAMJTSA-N 441.553 1.736 0 40 IDAB O=C1CCc2cc(S(=O)(=O)NC[C@@H](O)c3ccc4c(c3)OCCO4)cc3c2N1CC3 253472828 PSNWMZOQXNBHTQ-QGZVFWFLSA-N 430.482 1.305 0 40 IDAB COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1NC(=O)c1ccccc1C 408593353 MMCBSNHQLAZDKT-UHFFFAOYSA-N 433.530 1.866 0 40 IDAB CNC(=O)[C@@H]1CN(C(=O)c2ccccc2CN2CCOCC2)CCN1Cc1ccccc1 585261900 NKGOAZVFGPUCCU-QHCPKHFHSA-N 436.556 1.591 0 40 IDAB Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 679418461 NYDUEDIGBJBWPQ-QGZVFWFLSA-N 449.577 1.089 0 40 IDAB O=C1[C@H]2CN(S(=O)(=O)C3CCOCC3)CCN2C2(CCOCC2)N1Cc1ccccc1 1772595502 BXHGQRUPEHVRLG-HXUWFJFHSA-N 449.573 1.031 0 40 IDAB O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)C1CCCCC1 2415303 OUGCUOGJWZQCSE-IBGZPJMESA-N 436.390 1.932 0 40 IDAB O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCN(c2ccccc2)CC1 2649635 PLGJZEITTFPHTR-UHFFFAOYSA-N 433.505 1.809 0 40 IDAB CC(C)OCCCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 2688993 HUNLWHQDAYOPJH-SJORKVTESA-N 425.576 1.841 0 40 IDAB O=C(CS(=O)(=O)CCCS(=O)(=O)CC(=O)Nc1ccccc1)Nc1ccccc1 3163490 HWVPUNRWKIDJQV-UHFFFAOYSA-N 438.527 1.484 0 40 IDAB CCCCCN1C(=O)NC(=O)[C@@]2(Cc3c(nc4ccccn4c3=O)N(CC)[C@@H]2C)C1=O 8739121 GSJPVWMHGHBZSS-PEBXRYMYSA-N 425.489 1.720 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)Nc1ccc2c(c1)OCCO2 9001079 POKRJAAMEJHLNL-UHFFFAOYSA-N 445.435 1.411 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2nnc3n2CCN3c2ccc(F)cc2)CC1 9573953 PHCPTZXYAHVEBY-UHFFFAOYSA-N 434.497 1.962 0 40 IDAB COCCNC(=O)COC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1 9715555 XLOQWWLYYYHXCJ-UHFFFAOYSA-N 446.456 1.641 0 40 IDAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NC[C@H]2CCCO2)CS(=O)(=O)C3)c(C)c1 10250617 YRESPBZBBBUGCL-CQSZACIVSA-N 432.502 1.151 0 40 IDAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC)cc1 10445382 NRZRAJCBAJUDHO-AWEZNQCLSA-N 433.486 1.903 0 40 IDAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C[C@H]3C(=O)NCCN3C)cc2n1 12230591 DVHRGPYCINQRHW-CABCVRRESA-N 438.454 1.794 0 40 IDAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 12240631 ATIUPTXTUKAXII-DLTWYDFYSA-N 436.578 1.655 0 40 IDAB CCOC(=O)N1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 12586546 DMKIKPUXDNNMQX-UHFFFAOYSA-N 440.566 1.738 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)CC1 12650836 NLUPHIGJZJNRHY-UHFFFAOYSA-N 432.926 1.771 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)Nc3ccncc3)CC2)cc1 13683832 HHYFNSQVQHHXQG-UHFFFAOYSA-N 432.502 1.246 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CS(=O)(=O)C3)CC2)c(C)c1 15192275 JNRPMEYGXZNOKE-KRWDZBQOSA-N 426.560 1.393 0 40 IDAB CC(C)N(CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 22623457 LVQDMOOCCSIFOR-GOSISDBHSA-N 439.578 1.846 0 40 IDAB O=C(CN1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CC1)N1CCCC1 23178881 RMMLMWUZLJKGJD-UHFFFAOYSA-N 442.947 1.930 0 40 IDAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 24877652 CSDAWNWYVKWDSW-JOCHJYFZSA-N 439.424 1.678 0 40 IDAB COc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)ccc1OCc1c(C)noc1C 25574889 UDDLPCVCHODERX-UHFFFAOYSA-N 437.518 1.987 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cnccn3)CC2)cc1 26147943 GFQYUUOHHNKUKD-UHFFFAOYSA-N 432.550 1.539 0 40 IDAB COc1ncccc1CNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 32787204 PHRRPDCNCDBRFP-GOSISDBHSA-N 435.502 1.481 0 40 IDAB CC(C)OC(=O)C[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 32820976 XYXWINCHVDDNDZ-WMZOPIPTSA-N 449.529 1.351 0 40 IDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N(c3ccccc3)[C@H]3C=CS(=O)(=O)C3)nc2n1 32941818 PWOUPZNXSOJCQT-INIZCTEOSA-N 441.469 1.242 0 40 IDAB O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)N1CCOCC1 32945222 IXWNMZLBOMRDGC-UHFFFAOYSA-N 425.290 1.064 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)O)n(C)c2)c1 40060221 OCCGRWBQXARAHO-UHFFFAOYSA-N 429.520 1.863 0 40 IDAB O=C(NC[C@@H]1CCCO1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945814 LJDJQLAOZDDMDU-PXNSSMCTSA-N 444.507 1.693 0 40 IDAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1c3ccccc3C[C@H]1C(N)=O)C2=O 60241923 MLVRDPSDDZJZTE-WBWVDOBWSA-N 426.517 1.957 0 40 IDAB C[C@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccn(C)n4)CC3)n2)C1 72337663 ZOUQZOZMTZGXLC-HNNXBMFYSA-N 446.577 1.870 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCc1nc(C(C)(C)C)cs1 79112007 WICYDTPTWZUUKX-LBPRGKRZSA-N 438.575 1.565 0 40 IDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)Cc4ccccc4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143722 IHNBCTVCHKXGDA-PGRDOPGGSA-N 433.574 1.256 0 40 IDAB CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)Nc4ccncc4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143747 YMJIEMGYBPRGEJ-LAUBAEHRSA-N 449.577 1.456 0 40 IDAB O=C1CC[C@@H](C(=O)N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(CC2CC2)C3)N1 96263545 DTQFITVREUNFPR-KRWDZBQOSA-N 447.557 1.367 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)CC1 100145680 DORAVVYVCNDACL-OALUTQOASA-N 446.573 1.592 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)Cc1ccccc1 224754433 ACYAMTUHOANTAL-UHFFFAOYSA-N 431.558 1.597 0 40 IDAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N1CCC(C(N)=O)CC1)NC2=O 247984380 YNNMRPAXTRVSRH-HPIVIPLYSA-N 427.501 1.674 0 40 IDAB O=C(c1ccc(CN2CCCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccc(O)nc2=O)CC1 257290295 QCIFPVZZMUQDBE-PMACEKPBSA-N 426.517 1.773 0 40 IDAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c(N)nc(N)nc31)CO2 257319639 VTKYFJLLUHAOIG-CWTRNNRKSA-N 433.513 1.473 0 40 IDAB Cn1nccc1C(=O)N1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 306124807 CAASOFGIAMKYCM-QZTJIDSGSA-N 439.497 1.292 0 40 IDAB CN(C)CCN1CCN(C(=O)c2nc([C@H]3CCCN3C(=O)N(C)C)n3ccccc23)CC1 306141504 VYIWVFIUMHYTQI-LJQANCHMSA-N 441.580 1.472 0 40 IDAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O 408650120 APHLZVAVXNMVKA-MRXNPFEDSA-N 439.468 1.987 0 40 IDAB COC(=O)COc1ccccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409209599 CSXPAWHOGNRLJT-MHWRWJLKSA-N 427.388 1.909 0 40 IDAB CCOC(=O)[C@H](C)Sc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C 922304 OUSDGAKCCNJBOO-ZDUSSCGKSA-N 440.547 1.547 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccco2)c1 8684065 RBSXZJMNSPPSEY-SFHVURJKSA-N 435.502 1.066 0 40 IDAB COCCCNS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 8816477 CCIJEHKZIWZZLQ-UHFFFAOYSA-N 431.470 1.236 0 40 IDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC 8917844 MMQUYVMIBCZPRK-LAPQFRIASA-N 448.472 1.568 0 40 IDAB biogenic Cc1nc2sccn2c(=O)c1S(=O)(=O)NCCCN1CCN(c2ccccc2)CC1 9116891 CFLYKMDEDGTFPS-UHFFFAOYSA-N 447.586 1.555 0 40 IDAB CCCn1c(SCC(=O)NCC(=O)Nc2ccc(Br)cc2C)n[nH]c1=O 9337821 NWXWFVNSQWESPQ-UHFFFAOYSA-N 442.339 1.899 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 9468233 GBAONQLKVHWHPH-IBGZPJMESA-N 446.481 1.436 0 40 IDAB C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 9509561 ARWIDKASRPDJRF-OAHLLOKOSA-N 437.543 1.165 0 40 IDAB CCc1cnc2c(c1SCC(=O)Nc1cc(OC)ccc1OC)c(=O)n(C)c(=O)n2C 10216595 QISDRSAIVSHTGX-UHFFFAOYSA-N 444.513 1.943 0 40 IDAB Cc1nc(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525615 OUIVYXKZHYXDQE-JSGCOSHPSA-N 435.550 1.230 0 40 IDAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(-c3nnnn3C)c2)cc1 11336309 BVQCZJPHMSNQNN-UHFFFAOYSA-N 430.490 1.583 0 40 IDAB CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)CC1 12390544 KGWMVSVPARELAZ-HNNXBMFYSA-N 439.472 1.614 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)N1C[C@H](C)O[C@H](C)C1)n2CC(C)C 12507095 IDPZLRRIIZUVFS-IYBDPMFKSA-N 433.553 1.911 0 40 IDAB O=C(CNC(=O)Cc1ccccc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 14115744 SKGKXYPMXKGRNM-UHFFFAOYSA-N 429.542 1.836 0 40 IDAB O=C(CN1CCN(C(=O)c2cccnc2N2CCOCC2)CC1)Nc1cccc(F)c1 14505867 NIWMYUNODIXAAC-UHFFFAOYSA-N 427.480 1.454 0 40 IDAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2n[nH]c(=O)[nH]2)C1 19580069 JABYBJVRTISXJO-NRFANRHFSA-N 425.514 1.990 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 22380194 MHJXOGVUNKDMEE-UHFFFAOYSA-N 445.950 1.995 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 24652081 WKMJCCUOKPXJQJ-UHFFFAOYSA-N 442.497 1.216 0 40 IDAB O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc(Cl)c2)CC1 24802989 LHMBPZQMHSQTDS-RHSMWYFYSA-N 425.938 1.024 0 40 IDAB CCOC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)CCC(=O)O)cc23)CC1 31820653 ARSRBSYDCRIIRG-IBGZPJMESA-N 446.460 1.871 0 40 IDAB COc1cc(C)ccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 32721312 PYIUVJLJVALDGK-UHFFFAOYSA-N 436.486 1.748 0 40 IDAB Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 32759760 ZIELZIUISFWXSI-IBGZPJMESA-N 434.537 1.834 0 40 IDAB Cc1cc(NC(=O)[C@H](OC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccccc2)no1 32837583 GRUJHLVLNBMMJF-QGZVFWFLSA-N 442.453 1.704 0 40 IDAB CC(C)(C)NC(=O)CN(Cc1cccnc1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 35311469 RFOCWRBJFQTVGB-UHFFFAOYSA-N 426.473 1.735 0 40 IDAB Cn1nc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c2c1NC(=O)C[C@@H]2c1cccs1 36705634 HVRHKKNJPYMIDU-GFCCVEGCSA-N 437.547 1.566 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)ccc21 41091407 LNTCMUQRCOMGGU-INIZCTEOSA-N 428.470 1.333 0 40 IDAB O=C(c1cccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1)N1CCC[C@@H](O)C1 58244454 DFYZYJDDOBMVDQ-QGZVFWFLSA-N 446.529 1.648 0 40 IDAB O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1cnc2nc(O)[nH]c(=O)c2c1 69949224 VMJXNYSEDCIYCP-UHFFFAOYSA-N 434.456 1.563 0 40 IDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)C1 95349203 SAKXMESJAUPEBZ-HSALFYBXSA-N 428.581 1.342 0 40 IDAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2=O)cc1 96231426 LLHCODCPJJBINP-IBGZPJMESA-N 437.500 1.640 0 40 IDAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)N(C)S(=O)(=O)N1 208532060 MTDFYNOINMSZHE-LSDHHAIUSA-N 447.439 1.845 0 40 IDAB COc1ccc(-c2noc(CNC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)n2)cc1 219270524 BNNXXHNLQVRAPI-QGZVFWFLSA-N 444.469 1.589 0 40 IDAB Cc1ccc(CN(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1 225413021 CXLIKWYTWUQSHP-UHFFFAOYSA-N 445.541 1.868 0 40 IDAB CN(C)[C@@H]1CC[C@@]2([C@@H](O)CNC(=O)CCC(=O)O)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257255316 KHAIYQPXEQHUCZ-JBARXXBASA-N 448.560 1.505 0 40 IDAB CCS(=O)(=O)N1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccc(OC)cc1)C2=O 306123727 AURCSUBMYZTJOH-RBBKRZOGSA-N 445.541 1.637 0 40 IDAB CN1c2ccccc2N(C2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)S1(=O)=O 390832320 YQCHBQFKCZWPOJ-UHFFFAOYSA-N 442.497 1.787 0 40 IDAB CN1CCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)[C@H](c2ccccc2)C1 525632876 PSDSMPVURVGCJA-FQEVSTJZSA-N 429.542 1.677 0 40 IDAB CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)O)CCC(=O)N2CCC[C@@H]2C(=O)N1 643579443 ZDAQPVFPNZZIBR-GVDBMIGSSA-N 431.489 1.174 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CCc2nc3ccccc3s2)cc1 2652344 VBLWJXSUWPQGEO-UHFFFAOYSA-N 447.538 1.778 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCC(C)C)c(C)c1 3017366 ZACILRJEWDXKRW-KRWDZBQOSA-N 425.551 1.237 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N1C[C@@H](C)O[C@H](C)C1 3295237 RSCFGAWJUQOZQF-HUUCEWRRSA-N 441.575 1.140 0 40 IDAB CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 4079535 PBTXRORYKHTWAA-UHFFFAOYSA-N 427.523 1.494 0 40 IDAB CCn1nc(C(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)c2ccccc2c1=O 8806281 GKIWLULXJYHPHY-UHFFFAOYSA-N 425.441 1.907 0 40 IDAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nc(N)cc(=O)[nH]1 9468690 GPALPOAATPYEGN-UHFFFAOYSA-N 449.533 1.717 0 40 IDAB CNC(=O)[C@H]1CN(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2O1 9953799 MPSRXPFYPHKIQK-YLJYHZDGSA-N 449.573 1.348 0 40 IDAB CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccccc1C 9974856 KJHQVFWBNCVROC-ZPAWYTMASA-N 437.445 1.030 0 40 IDAB Nc1nc(SCC(=O)NC[C@@H]2CCCO2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 12033486 MOJHSHBPFMDQOB-JTQLQIEISA-N 439.444 1.270 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 13016573 PUCCJRVUXLHXHX-INIZCTEOSA-N 435.521 1.846 0 40 IDAB Cc1cnc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cn1 13131560 WMFLEOJTJBWLSV-UHFFFAOYSA-N 425.308 1.694 0 40 IDAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@H](O)c3ccccc3)cc2)no1 13693435 LNJHGBJQRWXILD-KRWDZBQOSA-N 444.469 1.572 0 40 IDAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1cc(=O)n2cc(Br)ccc2n1 16694667 QDMQYMXNYCKCLF-UHFFFAOYSA-N 441.241 1.979 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccccc3)C1)C2=O 19699686 ZUWQBCDLSUTZBC-GOSISDBHSA-N 426.517 1.860 0 40 IDAB Cc1nc([C@@H]2CCN(C(=O)CN3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19738881 QMKOISDTFOKTCO-HXUWFJFHSA-N 449.555 1.913 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN3C(=O)Cc3ccccn3)nc2n(C)c1=O 19743637 URTUVAIBQBMWIK-OAHLLOKOSA-N 447.417 1.952 0 40 IDAB CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1F 22056619 WMJHGZFQHPCWQZ-LUDXLNSESA-N 443.428 1.902 0 40 IDAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCN(C)CC2)cc1 22796642 QURCJBSIRAPDRH-FQEVSTJZSA-N 438.528 1.810 0 40 IDAB CC(C)CNC(=O)CN1CCN(CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 23254203 FXLIKUPZFAXIHG-UHFFFAOYSA-N 435.613 1.861 0 40 IDAB COc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 30996516 AYXIZFBWKMHTAD-UHFFFAOYSA-N 449.529 1.724 0 40 IDAB COc1ccc(C(=O)NCc2nnc3n2CCC3)cc1S(=O)(=O)N1CCCC[C@H]1C 32889085 OBLNIOOKVVUIHG-CQSZACIVSA-N 433.534 1.726 0 40 IDAB COCCN(CCCN(C)C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 32923974 HQPCFUPOPMBECS-HDICACEKSA-N 441.594 1.525 0 40 IDAB COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(Cl)ccc1F)C(=O)OC 36569331 OWIXSENYGDBBLU-PBHICJAKSA-N 438.843 1.964 0 40 IDAB O=C(c1ccc(Cn2cccn2)o1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325704 DEGROJLHGYKANT-UHFFFAOYSA-N 427.486 1.861 0 40 IDAB CCOC[C@H](O)CN1CCN(C(=O)Nc2cccc(C[S@](=O)CCOC)c2)CC1 95399143 QLRDJKXQVMASPI-XBBWARJSSA-N 427.567 1.129 0 40 IDAB O=C(O)COc1ccccc1[C@@H]1c2sc(=O)[nH]c2SC[C@]1(CC(=O)O)C(=O)O 96318852 TUNMBHQMNWGIRW-PXAZEXFGSA-N 425.440 1.683 0 40 IDAB CCOc1ccc(NC(=O)Cn2c(=O)c(C(=O)OC)nn(-c3ccc(C)cc3)c2=O)cc1 98212070 HFXPJWUQPADURF-UHFFFAOYSA-N 438.440 1.527 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 101357462 BUQHFGFRUJETAR-TXXWUTRGSA-N 443.408 1.129 0 40 IDAB biogenic C[C@@H](NC(=O)Cn1c(C(F)(F)F)c(CCO)cc(C(N)=O)c1=O)[C@H]1C[C@H]2CC[C@H]1C2 104878189 XUXHZPNLZNTYIA-OWTLIXCDSA-N 429.439 1.442 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 408595558 SFAYIMIKCDWBHU-OAHLLOKOSA-N 449.504 1.566 0 40 IDAB COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O 408651762 DUNCGZARCMJZMD-AWEZNQCLSA-N 441.440 1.379 0 40 IDAB O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H](Cc1c[nH]c2cccc(Br)c12)C(=O)O 583770693 PYDWHXRJWDEXHQ-HZMBPMFUSA-N 443.319 1.867 0 40 IDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)c3cccnc3)C2)n(-c2cccnc2)n1 2332241578 ISFZJOLRDAHAPI-BMGDILEWSA-N 444.517 1.179 0 40 IDAB CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 2079678 VYMQKLALKYYFJG-KRWDZBQOSA-N 447.440 1.651 0 40 IDAB Cc1ccc(CNC(=O)C[C@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)cc1 2633007 JLULVRILVPQWGD-GOSISDBHSA-N 432.480 1.646 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2ccn(-c3ccc(OC)c(OC)c3)c(=O)c2=O)c1 8588335 ARMWABZBGQNHHS-UHFFFAOYSA-N 441.440 1.672 0 40 IDAB O=C1CN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc3c(c2)OCCO3)CCN1 8862044 KVPYAIZHPDEGHI-UHFFFAOYSA-N 441.469 1.138 0 40 IDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9579764 VBSIEJQPLBEWOR-HXUWFJFHSA-N 448.479 1.367 0 40 IDAB CC(C)[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)OCCCO2 9731469 GOFMZHQFUQNEGU-SFHVURJKSA-N 441.488 1.109 0 40 IDAB COc1ccc(CNC(=O)C[C@@H]2O[C@H](CNC(=O)Nc3cccc(F)c3)[C@@H](O)[C@H]2O)cc1 12603566 GCUPAPRGNNDNGG-IZZBFERCSA-N 447.463 1.152 0 40 IDAB biogenic,in-vitro Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1C[C@H]1CCCO1 13115706 AVCXXXSMUSJFOT-CYBMUJFWSA-N 433.896 1.567 0 40 IDAB CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 14796945 LNRREMFZJQISCJ-INIZCTEOSA-N 432.470 1.685 0 40 IDAB CCCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)ccc1=O 15480518 JIUBNMVUQQERIV-UHFFFAOYSA-N 430.530 1.289 0 40 IDAB Cc1cc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)c2c3c(c(=O)oc2c1)CCCC3 15956361 QWMFPOQOALOHMZ-OAQYLSRUSA-N 444.484 1.701 0 40 IDAB biogenic O=C(Cn1cccn1)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702259 ZAGOJVKGOGQKEA-HNNXBMFYSA-N 425.514 1.981 0 40 IDAB CC[C@@H](C(=O)N1CCc2c(nc(C3CCN(C(C)=O)CC3)nc2NC)C1)N1CCOCC1 19710693 CPHRBHOVWQKQAK-FQEVSTJZSA-N 444.580 1.240 0 40 IDAB O=S(=O)(NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 20038285 HVGGIAZQJKRLNU-UHFFFAOYSA-N 445.513 1.250 0 40 IDAB CCOc1ccc(OCCNC(=O)CSc2nnc(C3CC3)n2CCC(N)=O)cc1 22407560 BRXMJUISNWAGCG-UHFFFAOYSA-N 433.534 1.717 0 40 IDAB CN1[C@@H](CCC(=O)NCc2ccccc2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccc(O)cc1 22922978 HXHXZVZAHNTHJV-FJIJXJHWSA-N 436.556 1.862 0 40 IDAB biogenic,in-vitro C[C@H](OC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 23055064 WSRCNHNFYBLVAN-CLWVCHIJSA-N 430.457 1.892 0 40 IDAB O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134441 SXZOSGXVGJGWNL-UHFFFAOYSA-N 434.431 1.866 0 40 IDAB CNC(=O)CSc1nnc(N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)s1 23141770 STLHYVNHVCQOBU-UHFFFAOYSA-N 435.575 1.666 0 40 IDAB O=C(CN1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1)NC1CC1 24766681 BWPVQMLBGSFZST-UHFFFAOYSA-N 434.949 1.707 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 32816327 HJPJEAHJVXIGIW-OAHLLOKOSA-N 447.479 1.888 0 40 IDAB CS(=O)(=O)N(CCCNC(=O)c1cncc(Br)c1)Cc1cccnc1 36392840 BKYRKGPENDDRME-UHFFFAOYSA-N 427.324 1.821 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 39986131 JOTZZXIKAASQRG-UHFFFAOYSA-N 441.531 1.382 0 40 IDAB O=C1N[C@@H](C(=O)N2CCN(Cc3ccncc3)CC2)CS[C@H]1Cc1ccccc1F 40087829 XOUVRXOLIIZPFC-UXHICEINSA-N 428.533 1.708 0 40 IDAB CS(=O)(=O)N1CCC(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)CC1 58169111 FGYHYMAMTVRGDI-GOSISDBHSA-N 433.530 1.409 0 40 IDAB C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)CN1CCOCC1 72306614 UEMJKBZVKVZLFW-KUHUBIRLSA-N 440.338 1.001 0 40 IDAB O=C(Cn1nnn(-c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)c1=O)NC1CC1 77100237 PBBXIQYNQFKONC-UHFFFAOYSA-N 445.439 1.615 0 40 IDAB Cc1noc(NC(=O)CN2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)n1 95369301 ZKSHWBCCEIHELV-UHFFFAOYSA-N 435.550 1.865 0 40 IDAB Cc1cccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)NCc4cnc(C)cn4)=NO3)C2)c1 96225946 KJPAMBYGYVHJAB-FQEVSTJZSA-N 429.502 1.319 0 40 IDAB CC(C)NC(=O)N1CCC2(CC1)O[C@H](C(=O)N(C)Cc1ccccn1)Cn1ccnc12 96263231 IVUAFKPFSJOOFN-SFHVURJKSA-N 426.521 1.745 0 40 IDAB O=C(OCC(=O)N1CCc2ccccc2C1)[C@H]1CSCN1S(=O)(=O)c1ccccc1 97124673 KKZSVOUHMDMJMS-LJQANCHMSA-N 446.550 1.878 0 40 IDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(I)cc2)c1=O 222666209 CZFQAKYBKNPLMF-UHFFFAOYSA-N 443.241 1.670 0 40 IDAB Cc1cc(S(=O)(=O)Nc2nc(C)c(C(=O)N(C)C)s2)ccc1OCC(=O)N(C)C 223249724 PYPJODZJUFAVHV-UHFFFAOYSA-N 440.547 1.730 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1 224228530 ZABDAARVRHXWDG-UHFFFAOYSA-N 433.530 1.582 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)cc1 240104300 UPCVINUOIZPPOI-UHFFFAOYSA-N 446.916 1.797 0 40 IDAB CN(C)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1 244535232 ZVKYQLKURXJSCW-ZDUSSCGKSA-N 425.370 1.189 0 40 IDAB Cc1noc(C)c1C(=O)N1CC[C@]2(CCc3nnc(C(=O)NCCN(C)C)n3CC2)C1 585106770 DWDPWXVSFHHZOW-NRFANRHFSA-N 429.525 1.043 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)NCc4ccc(F)cc4)C[C@@H]23)n1 1549161196 FHRJBBZWDXCFEY-QGZVFWFLSA-N 426.452 1.529 0 40 IDAB Cc1ccc2c(c1)[C@@]1(N[C@@H](CCC(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 2129176 YJTFAPLZYSXKBF-GHCZAOPSSA-N 433.464 1.780 0 40 IDAB biogenic C[C@@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl 8934143 FZBQMZYVMCIGLY-JTQLQIEISA-N 426.304 1.972 0 40 IDAB C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC1CCCCCC1 9050196 WQHKAAHATGKHJT-UGSOOPFHSA-N 446.953 1.750 0 40 IDAB COc1ccc(NCCCn2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c(OC)c1 10049551 IYUNHESMQXFXIB-UHFFFAOYSA-N 426.477 1.514 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCCN1CCCCC1)n2C 10086933 LWRFOYRQGCITTH-UHFFFAOYSA-N 435.594 1.748 0 40 IDAB CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(Cl)cc2)CC1 10385145 FXMCIPWISBRPHE-HNNXBMFYSA-N 447.923 1.753 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCn2nc(-c3ccccc3)ccc2=O)cc1 11738327 LWCMPGBZGNDEKS-UHFFFAOYSA-N 440.525 1.981 0 40 IDAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1ccccc1F 11905961 LWOXEFSTBUTJLG-UHFFFAOYSA-N 426.491 1.722 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)NC(=O)N[C@H]1CC 12791615 UCQNWHALPPNRRQ-KGLIPLIRSA-N 445.472 1.500 0 40 IDAB CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]2SC1 15947216 CELMTIZIKITZRZ-WBMJQRKESA-N 444.387 1.621 0 40 IDAB CCN(C(=O)[C@H](C)OC(=O)c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 18520084 VRFITMBRXMCQNK-AAEUAGOBSA-N 431.894 1.692 0 40 IDAB Cc1csc2c([C@H]3CCCN(C(=O)CCC(=O)N4CCC[C@@H]4C(N)=O)C3)nc(C)n12 19240398 OILLKQDLKPSJOZ-JKSUJKDBSA-N 431.562 1.975 0 40 IDAB COc1ccc([C@@H]2C[C@H](C(=O)Nc3cnn(C(C)C)c3)N(C)S(=O)(=O)N2)cc1OC 19454976 SYZXXJFYKYQRFN-JKSUJKDBSA-N 437.522 1.700 0 40 IDAB Cc1cc(C)n(CCCC(=O)N2CCC[C@@H](c3c(C)c(=O)nc4n3CCC4)C2)c(=O)n1 19572563 XIORXGNNTLAJKF-GOSISDBHSA-N 425.533 1.858 0 40 IDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)c1 20745075 SWALWNWZHRAXRP-UHFFFAOYSA-N 447.469 1.552 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccccc1OC(F)F 24721183 DPVXJNXVKZQUGV-UHFFFAOYSA-N 427.429 1.873 0 40 IDAB CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O 32094986 DEQCDKQGQNKASV-QGZVFWFLSA-N 440.452 1.979 0 40 IDAB Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)N(C4CC4)[C@H](C(=O)NC4CCCC4)[C@@]34C=C[C@]2(C)O4)no1 35289995 GIROLZLCWUZLJH-VTFRQLMYSA-N 440.500 1.683 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3ccco3)CC2)c1 36372492 YXLYEBXIFRLICH-UHFFFAOYSA-N 434.518 1.229 0 40 IDAB COc1cc(NC(=O)C(=O)NCCn2nc(C)cc2C)ccc1N1CCCCS1(=O)=O 40287239 ZSOJPCZWJKBEIS-UHFFFAOYSA-N 449.533 1.193 0 40 IDAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 42379984 HWNUFBJMPZWXSN-AWEZNQCLSA-N 439.428 1.112 0 40 IDAB COc1ccc(-n2ncc(C(=O)N3CCC[C@@H](c4nncn4C)C3)c2C(F)(F)F)nn1 48299916 JDIBGZFSGAAWKC-LLVKDONJSA-N 436.398 1.838 0 40 IDAB COc1cc(OC)c(C2=CCN(C(=O)NCCC(=O)N3CCOCC3)CC2)c(OC)c1 58175601 GBWMETBMMBVDAO-UHFFFAOYSA-N 433.505 1.760 0 40 IDAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccccc1OC 67287450 XJOJGAPXEYGXTD-LJQANCHMSA-N 431.489 1.705 0 40 IDAB O=C(CN1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1)NCc1ccccc1 70013558 JIZKIRNWLKNONS-UHFFFAOYSA-N 441.576 1.375 0 40 IDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1sc2nc(COC)nc(OC)c2c1C 72314232 FQYFAWFACCVTML-LLVKDONJSA-N 428.536 1.309 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Oc2ncccn2)cc1 84012331 LJJJZNXXBZTWCM-CYBMUJFWSA-N 430.490 1.925 0 40 IDAB C[C@@H]([C@@H](C)N(C)C(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1)S(C)(=O)=O 95959109 CJVXMDIESHIILA-KGLIPLIRSA-N 442.559 1.958 0 40 IDAB O=C(NCc1ccccc1)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)C3CC3)CC2)O1 96144704 RZKFJHWAJMRLTB-GOSISDBHSA-N 430.530 1.382 0 40 IDAB CC(C)(CNc1c(N2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O)N1CCOCC1 101703393 HXIWKJKBUCFSFS-UHFFFAOYSA-N 432.952 1.785 0 40 IDAB CN(c1cccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1)S(C)(=O)=O 219663129 KNTIGKSNHCHHIV-UHFFFAOYSA-N 437.499 1.256 0 40 IDAB COc1cccc(-c2noc(CNC(=O)CN(Cc3ccccc3)S(C)(=O)=O)n2)c1 225149730 HUTWONLATQCRRF-UHFFFAOYSA-N 430.486 1.823 0 40 IDAB CN1c2ncccc2C(=O)NC12CCN(C(=O)CCN1C(=O)[C@@H]3CCCC[C@H]3C1=O)CC2 248095874 YAMTWQLZICAOOR-HZPDHXFCSA-N 439.516 1.145 0 40 IDAB CNc1cc(N2CCC[C@@](O)(CNC(=O)c3cccc(OCCN(C)C)c3)C2)ncn1 257340818 ZHQCNJRNYXXDPS-JOCHJYFZSA-N 428.537 1.220 0 40 IDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 575424394 AALSCAMWGUZEMX-HUUCEWRRSA-N 445.902 1.391 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1380277 JBHPXPZFBBOVHG-UHFFFAOYSA-N 438.527 1.461 0 40 IDAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(N)=O 1611504 KQTNXKRURVWGGU-AVRDEDQJSA-O 431.516 1.354 0 40 IDAB O=C(O)COc1c(I)cc(CO)cc1I 8430109 SMNYVZYQYPWYJA-UHFFFAOYSA-N 433.967 1.852 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O 8861041 QMHXFFHQCFHHNJ-PGRDOPGGSA-N 441.509 1.674 0 40 IDAB O=C(OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1NCCO 9157638 CBLIEZYIRDDEAK-QGZVFWFLSA-N 438.546 1.596 0 40 IDAB O=C(CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1)N1CCCC1 12594360 MBIWFYIDTDXNSO-IBGZPJMESA-N 446.979 1.959 0 40 IDAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)COc2cccc(C)c2)c(=O)[nH]c1=O 12785689 OSZBXBOHXYRNKS-UHFFFAOYSA-N 438.484 1.686 0 40 IDAB CC[C@@H](C)NC(=O)Cn1c(=O)n(CC(=O)NCc2cccs2)c(=O)c2sccc21 13607300 LULINZQKZURMMW-GFCCVEGCSA-N 434.543 1.517 0 40 IDAB COc1ccccc1N1C[C@@H](C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1=O 21560910 UNGBADRRAZUBAM-HNNXBMFYSA-N 428.489 1.419 0 40 IDAB Cc1cc(C)n2c(SCC(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)nnc2n1 22200862 ISCHHAKUHHWFKE-GOSISDBHSA-N 426.546 1.850 0 40 IDAB CN(C)C(=O)CN1CCN(C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 40107246 WCHPDPOMFHCITE-HNNXBMFYSA-N 427.471 1.549 0 40 IDAB O=C(NCc1cccnc1OCc1ccccc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 48324918 KCFCDQHXGPOKMZ-RBUKOAKNSA-N 443.525 1.312 0 40 IDAB CN1CCN(c2ccc(NC(=O)NCCCNS(C)(=O)=O)c(C(F)(F)F)c2)CC1 58162084 QPGSGMBSCNEVNN-UHFFFAOYSA-N 437.488 1.518 0 40 IDAB CCOc1cc(=O)c(C(=O)N2CCN(c3ncccn3)CC2)nn1-c1ccc(OC)cc1 67245768 PRRUEUBBZKXTMD-UHFFFAOYSA-N 436.472 1.392 0 40 IDAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2C[C@H]2C)CC1 67337980 ADSYEVVOFQUBFX-SUUGVPPDSA-N 437.953 1.737 0 40 IDAB Cc1nc(-c2ccc(N3CCN(C(=O)CCn4cnc5ccccc5c4=O)CC3)nc2)no1 90558838 LXKCDZCOGZXQNT-UHFFFAOYSA-N 445.483 1.889 0 40 IDAB Cn1c(=O)n(C)c2cc(C(=O)NC3(C(=O)O)Cc4ccccc4C3)c(Br)cc21 95969963 YEJLRMYHRVHBIY-UHFFFAOYSA-N 444.285 1.992 0 40 IDAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1 96104341 JXVGPWALOMZGFN-UHFFFAOYSA-N 428.576 1.622 0 40 IDAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)c3cc(=O)n(C)c(=O)n3C)CC2)n1 257271063 MWPXUZOHJQGYAK-QAQDUYKDSA-N 448.527 1.948 0 40 IDAB CNCCOc1cccc(C(=O)N(C)C[C@]2(O)CCN(c3ccnc4cccnc34)C2)c1 257308778 TYBGYPAAWYGJJT-XMMPIXPASA-N 435.528 1.941 0 40 IDAB CC(=O)N[C@@]12CNCC[C@@H]1[C@@H](c1ccccc1)N(CC(=O)N1CC(=O)Nc3ccccc31)C2 257323795 WLVMYZLFWYJTRC-UKDVSSAZSA-N 447.539 1.513 0 40 IDAB CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H]1C[C@H](O)[C@@H](n2ccc(O)nc2=O)[C@@H]1O 257323804 WLWMCXZOTCDCFR-RNIPGJKVSA-N 431.489 1.669 0 40 IDAB CC(=O)OC[C@@]1(O)[C@@H](O)[C@H](OC(=O)c2ccccc2)C=C[C@H]1OC(=O)c1ccccc1 257478255 LVQXSADIPBMJHN-UGTOYMOASA-N 426.421 1.663 0 40 IDAB biogenic COc1ccc(CCNC[C@]2(O)CN(C(=O)CCc3ccccc3)CC[C@H]2O)cc1OC 585286229 PENSEULLGCXMGR-NOZRDPDXSA-N 442.556 1.793 0 40 IDAB CO[C@](C)(CNC(=O)CCc1c(C)nc2nc(N)nn2c1C)COCc1ccccc1 1654712861 TWNLKVWZGGXNEV-JOCHJYFZSA-N 426.521 1.994 0 40 IDAB CC(C)NC(=O)N[C@H]1C[C@H]2CN(Cc3cccs3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242008 LVSYACGUTJVNDD-BQFCYCMXSA-N 433.578 1.136 0 40 IDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)NC(N)=O 3521187 HCVAGCXIJUALAI-ZDUSSCGKSA-N 431.470 1.174 0 40 IDAB Cn1c(=O)c2c(nc(Br)n2CC(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1=O 4102550 RCTGQNOBUGGHNN-UHFFFAOYSA-N 435.322 1.982 0 40 IDAB COC(=O)c1ccccc1NC(=O)C1=CC(c2ccc3c(c2)OCO3)=NS(=O)(=O)N1C 8587806 BXWAOHFHCGZMGO-UHFFFAOYSA-N 443.437 1.704 0 40 IDAB CC[C@H](C)N(C(=O)COC(=O)c1cncc(Br)c1)[C@@H]1CCS(=O)(=O)C1 8824617 YAARNNXVCJLYID-SMDDNHRTSA-N 433.324 1.815 0 40 IDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)n1 8868112 KUBAFSYKCZBKBA-JTQLQIEISA-N 449.963 1.425 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)COC(=O)CCNS(=O)(=O)c1cccs1 9468123 POUVYLBHNXZVNB-UHFFFAOYSA-N 440.499 1.775 0 40 IDAB CCN(C(=O)COC(=O)c1cc(OC)ccc1Br)[C@H]1CCS(=O)(=O)C1 9544856 NLVGNGYTVXWLAH-NSHDSACASA-N 434.308 1.650 0 40 IDAB Cn1c(N)c(C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)n(C)c1=O 9590977 SFXGRHFTBFPPDT-UHFFFAOYSA-N 425.285 1.966 0 40 IDAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC3CCCC3)[nH]c2=O)cc1OC 9599493 PLLRPGGZWSARNO-UHFFFAOYSA-N 447.517 1.773 0 40 IDAB Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccccc3Cl)cc21 9645750 BNUKOXNHSFKUNP-UHFFFAOYSA-N 428.876 1.980 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)NC(=O)N[C@H]1C 9683196 PNMPKEIKCLHJNG-YBTHPKLGSA-N 431.470 1.677 0 40 IDAB COc1cccc(CC(=O)N2CCC[C@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)c1 12129596 WSEPYSMTTNNCGO-HNNXBMFYSA-N 429.502 1.485 0 40 IDAB CCOC(=O)CNC(=O)CSc1nc2c(c(=O)n1-c1cccc(OC)c1)SCC2 12140649 MNTMWECYEHKVBI-UHFFFAOYSA-N 435.527 1.661 0 40 IDAB CCn1cc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(OC)c(OC)c3)=C2)c(C)n1 12155650 LWGUVEJBHQBNBC-UHFFFAOYSA-N 433.490 1.731 0 40 IDAB CC[C@H](C)N(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 13117697 LAFVFWLVQDLLHA-CMPZQBNXSA-N 433.530 1.194 0 40 IDAB C[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)OCCO2 14250545 QXOXMYVHDUAWKE-SNVBAGLBSA-N 440.861 1.943 0 40 IDAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)C[C@H]4CCS(=O)(=O)C4)nn3cn2)cc1 19574409 ZPZYSHQRKILARE-UONOGXRCSA-N 429.502 1.802 0 40 IDAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(CC(=O)N(C)C)C3)nc2C)c1 19753118 HLZQEVCHCMHDMU-GOSISDBHSA-N 425.533 1.991 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)cc1Cl 19938168 ZUXAJZIVXIEPDL-OAHLLOKOSA-N 429.970 1.913 0 40 IDAB Cn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(F)c(F)c1 21713966 HVCKDMAHBSFGFB-UHFFFAOYSA-N 425.395 1.862 0 40 IDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 27221167 GZZXXRQQZRIGRZ-DLENHJPASA-N 431.514 1.851 0 40 IDAB O=C(NCCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 29277226 JICQDCADUWEYDQ-UHFFFAOYSA-N 428.558 1.657 0 40 IDAB COc1ccc(OCc2nnc(SCC(=O)NCCCN3CCCC3=O)n2C)cc1 32946942 SDSMUAZMXUEVPF-UHFFFAOYSA-N 433.534 1.624 0 40 IDAB O=C(NC[C@H]1CCCO1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945257 SIITVMGMRMPQQN-WOJBJXKFSA-N 426.517 1.554 0 40 IDAB CCc1ccc([C@H]2NC(=O)NC(CN3CCN(c4ncccn4)CC3)=C2C(=O)OC)cc1 57415294 GUKKYKDACGBZBW-HXUWFJFHSA-N 436.516 1.642 0 40 IDAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1ccc(C(N)=O)cc1 59010211 DQQGHHKIGKYUAZ-GOSISDBHSA-N 442.468 1.871 0 40 IDAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1ccccn1 68736466 UBESLJDSHIGNQD-HZPDHXFCSA-N 448.520 1.443 0 40 IDAB COc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1F 70924526 AUZKEUKUNAOTDQ-UHFFFAOYSA-N 443.522 1.609 0 40 IDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)CCN[C@@H]3C=CS(=O)(=O)C3)C2)C1 72334224 NTNGPNBIOSLLTB-DENIHFKCSA-N 447.557 1.079 0 40 IDAB CN1CCCC[C@H](C2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)C1=O 72372010 FJVSTWDKODIZRK-QGZVFWFLSA-N 434.562 1.536 0 40 IDAB CCCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-n3ccnc3)ccc2=O)cc1 77197063 GYPPNSITBNDWNF-UHFFFAOYSA-N 430.490 1.146 0 40 IDAB CCCCn1c(N)c(N(CC)Cc2nc3cc(S(=O)(=O)CC)ccc3o2)c(=O)[nH]c1=O 84750098 ZMLCDWVIAXOAIR-UHFFFAOYSA-N 449.533 1.880 0 40 IDAB COCc1ccc(CNC(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cc1 89382702 OWHAJWIQOODOSI-UHFFFAOYSA-N 440.544 1.714 0 40 IDAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C3/C(=O)Nc4ccccc43)c(=O)n12 100895669 VBGOOFXCJVDNGT-OJXHSJJISA-N 447.472 1.181 0 40 IDAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2nc(-c3ccccc3)no2)Oc2ccccc21 218795511 JKPMQSNDHBSVFL-QGZVFWFLSA-N 428.470 1.970 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 223672291 PLZIHVQDSINSAD-UHFFFAOYSA-N 444.556 1.092 0 40 IDAB Cc1cc(C)n(CCC(=O)N2CCC(c3n[nH]cc3C(=O)N3CCCC3)CC2)c(=O)n1 257266165 MBVMUCOMMXTHIU-UHFFFAOYSA-N 426.521 1.616 0 40 IDAB CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)s1 390831567 SOIVOPABUDMNSB-GFCCVEGCSA-N 435.574 1.714 0 40 IDAB O=S1(=O)C[C@@H]2[C@@H](C1)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1N2Cc1ccccc1 575420396 HHOVPOKBRILLBN-YSFYHYPLSA-N 446.594 1.336 0 40 IDAB O=S1(=O)CC[C@H](N(C[C@@H](O)CO)S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 575422479 LKOIDDJWXGLVEJ-ZWKOTPCHSA-N 431.576 1.265 0 40 IDAB CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 685080963 CVFXDJUMRVPSEP-AWEZNQCLSA-N 437.566 1.173 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)CCc5ccccc5)C[C@@H]4C3)ncnc21 1888935240 IJQPWBXWNHBEAQ-ROUUACIJSA-N 426.546 1.787 0 40 IDAB Cc1ccsc1S(=O)(=O)N1C[C@@H](C(=O)NCCc2ccccn2)C[C@H]2OCC[C@H]21 2055746052 FJIXAIHWKXFASH-CGTJXYLNSA-N 435.571 1.979 0 40 IDAB COc1cc(NC(=O)Cn2nnc(-c3cc(Cl)ccc3-n3cnnn3)n2)cc(OC)c1 1361441 XBFRNJXCYDUXRZ-UHFFFAOYSA-N 441.839 1.625 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](Sc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5084902 JCKOUAWEMPKIAT-WPVAHCMFSA-N 440.470 1.862 0 40 IDAB COC(=O)C/C(C(=O)OC)=C1/CCCC2=C1N1CCC[C@@H]1[C@@]2(CC(=O)OC)C(=O)OC 8648346 OUCZHGRRXPWARN-ZYWHQPPRSA-N 435.473 1.658 0 40 IDAB O=C(O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 8789820 AYGNWZIEIGHVFJ-ASLVLFSISA-N 449.419 1.205 0 40 IDAB biogenic COc1cc(OC)c2c(C)c(CC(=O)NCC(=O)N3CCC(C(=O)O)CC3)c(=O)oc2c1 8790611 VXKYNAQHEZBAKI-UHFFFAOYSA-N 446.456 1.101 0 40 IDAB biogenic C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 9549031 QICKTKYPIMHBIM-YCRPNKLZSA-N 445.497 1.378 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)cc1 9589450 DFZZWKNUIYMYGL-HSZRJFAPSA-N 441.484 1.838 0 40 IDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 9592736 YHGYBNHZOGDCCE-UHFFFAOYSA-N 438.465 1.381 0 40 IDAB CCn1c(=O)c(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(N)n(Cc2ccccc2)c1=O 9610168 VAWSPAZHPGVDPH-UHFFFAOYSA-N 449.446 1.336 0 40 IDAB COc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 9807014 FLCNBPCFSKTYSK-HNNXBMFYSA-N 437.543 1.342 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 9883664 HNQJGTIUOMEYCP-ZIAGYGMSSA-N 447.513 1.960 0 40 IDAB CCOC(=O)c1sc(NC(=O)CSc2nc(=O)[nH]c(C)c2C(=O)OCC)nc1C 10213766 CZXOFJDCLGUFDO-UHFFFAOYSA-N 440.503 1.927 0 40 IDAB COc1cccc([C@@H]2CN(C(=O)CN3CCC[C@@H](C(N)=O)C3)C[C@H]2c2csnn2)c1 12163122 OETLOGFGTYUCDC-BPQIPLTHSA-N 429.546 1.454 0 40 IDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N2CCOCC2)nc1 12172851 MBBJPKFSIGNKCO-FQEVSTJZSA-N 444.557 1.311 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1c(F)cccc1Cl 12444761 KDJIURJOUKGGPD-UHFFFAOYSA-N 426.901 1.756 0 40 IDAB COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)N1CCCC1 12686264 YPKAWPVADQGVRP-UHFFFAOYSA-N 447.513 1.671 0 40 IDAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12869364 AQPRRPAHPFXXMS-AWEZNQCLSA-N 430.465 1.841 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O 13164614 GVTMGPSQYXAJBC-PEBXRYMYSA-N 439.424 1.139 0 40 IDAB COc1ccc2c(C)c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1C 13557397 CQOFOGHVTORUJX-UHFFFAOYSA-N 444.509 1.967 0 40 IDAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@]4(C3)OCCc3cnc(C)nc34)ccc21 19524265 BRISNNXKYFWKMR-OAQYLSRUSA-N 444.513 1.966 0 40 IDAB COc1ccc([C@@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)N2CCOCC2)cc1 19795870 BWBZPSFPTAAPFZ-OAQYLSRUSA-N 437.496 1.871 0 40 IDAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)C(=O)N2CCN(C)CC2)cc1 22996723 KZDSPHMAVAOPBK-UHFFFAOYSA-N 436.578 1.802 0 40 IDAB COc1ccccc1N1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 23653001 TZDZWYHJMXKQHW-UHFFFAOYSA-N 430.593 1.969 0 40 IDAB CN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1nc2ccccc2c(=O)[nH]1 23992161 ZRFRYXHMIHCJLN-UHFFFAOYSA-N 428.514 1.576 0 40 IDAB NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 25607227 NMTSAGMJNGXCQJ-ROUUACIJSA-N 436.940 1.027 0 40 IDAB CCn1c(=O)n(C[C@H](O)COc2ccc(F)cc2)c2cc(S(=O)(=O)N(C)C)ccc21 28918829 UFGFRMTYBBMIHW-HNNXBMFYSA-N 437.493 1.652 0 40 IDAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1ccc(S(N)(=O)=O)cc1 33005229 YJTKFVAOBASDQV-QGZVFWFLSA-N 425.457 1.683 0 40 IDAB C[C@]1(NC(=O)CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)CCS(=O)(=O)C1 40149614 RAOWCTXLLFDFEP-UGSOOPFHSA-N 428.942 1.079 0 40 IDAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc4c(c2)OCO4)CC(=O)N3)C1 40388847 LMHXCPTYPCMWEG-YPMHNXCESA-N 425.445 1.799 0 40 IDAB CCc1nnc(NC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)s1 72326846 LBJCGIXLVREFOW-MPBGBICISA-N 428.518 1.992 0 40 IDAB Cc1cc(CN2CCc3c(nc(N4CCOCC4)[nH]c3=O)C2)c(C)n1C[C@@H]1CCCO1 72335528 FFXGULYZLHTTLI-IBGZPJMESA-N 427.549 1.762 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(-n3ccnc3C)nn2)CC1 77197074 DVFRNKLVCASZIP-UHFFFAOYSA-N 432.481 1.629 0 40 IDAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1C[C@@H]3C[C@H](C1)Cn1c3cccc1=O)C=C2 96113871 SILGKOKKPJMQDM-APWZRJJASA-N 449.507 1.867 0 40 IDAB biogenic CCOC(=O)CN1C(=O)[C@]2(N[C@@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c2ccccc21 100158850 KSXPGDMDBZILQH-XBZSQVPCSA-N 433.464 1.589 0 40 IDAB CC(C)(C)OC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 101687129 WOCKKTAXMOZQBH-GOSISDBHSA-N 440.378 1.819 0 40 IDAB O=C(NCCN1CCOCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 218797255 IPWSGPKDRZPEHA-NRFANRHFSA-N 445.541 1.232 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 220309192 LDXUWSMSQDABHO-AWEZNQCLSA-N 437.493 1.995 0 40 IDAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 223254293 AXXGYUCZLLHNCG-HXUWFJFHSA-N 447.557 1.273 0 40 IDAB Cc1nonc1CN(C)C(=O)[C@H]1CN(C(=O)c2cccc(N3CCCC3)c2)CCN1C 257295141 QXEFNOGXVKXESY-HXUWFJFHSA-N 426.521 1.393 0 40 IDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 578150696 DHJWVINMPUOMNU-HSZRJFAPSA-N 448.483 1.415 0 40 IDAB COc1ncccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O 604381037 CFKOFVAPPFYODO-UWRIJYQHSA-N 445.491 1.311 0 40 IDAB biogenic,in-vitro O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1cccnc1 1839236 AYKNIMNMOOKULJ-GOSISDBHSA-N 431.330 1.061 0 40 IDAB CC(C)Cn1c(SCC(=O)O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2617011 JWDNAYRJEVXMJT-UHFFFAOYSA-N 440.547 1.799 0 40 IDAB COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 3324051 VDZIFLLPCKEYEP-UHFFFAOYSA-N 434.518 1.455 0 40 IDAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CCN(c2ccccn2)CC1 8724172 RTWSMRUBEVPCEI-UHFFFAOYSA-N 427.509 1.558 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCC(=O)O 8765461 DVENRNKFWMZEEL-ZPDKEIJZSA-N 443.452 1.879 0 40 IDAB biogenic Cn1c(COC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)cc(=O)n(C)c1=O 11389416 KNNNLCNXGIBKPJ-UHFFFAOYSA-N 436.420 1.443 0 40 IDAB C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C[C@@H](C)O1 12541155 KKAINDYLNWPYSC-OKILXGFUSA-N 431.924 1.745 0 40 IDAB CCCn1c(N)c(C(=O)COC(=O)c2cc3ccccc3cc2OC)c(=O)n(C)c1=O 15186019 IJZASLPEQWLDFE-UHFFFAOYSA-N 425.441 1.741 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)Cc3ccco3)CC2)cc1 15407061 CTCODSAWBIZHLT-UHFFFAOYSA-N 446.529 1.537 0 40 IDAB CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(OCC)c(C)cnc3n(C)c2=O)cc1 15880402 FFCCZOVKXUNHCN-UHFFFAOYSA-N 440.456 1.618 0 40 IDAB CCN1c2nc3ccccn3c(=O)c2C[C@@]2(C(=O)NC(=O)N(C3CCCCC3)C2=O)[C@H]1C 16972614 TWTCQJURLIHJPQ-FATZIPQQSA-N 437.500 1.863 0 40 IDAB Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)c1cccc(N2CCCCS2(=O)=O)c1 19286334 UXQBGQOXMAUQJB-MSOLQXFVSA-N 442.541 1.780 0 40 IDAB CC(C)N1CCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2cc(Cl)ccc2N3)CC1 19447981 BJUAIJPSJFYNGX-JOCHJYFZSA-N 447.967 1.757 0 40 IDAB CSc1nc2nc(C)c(CC(=O)OCCN3C(=O)c4ccccc4C3=O)c(C)n2n1 19613974 ZFIRXUQQHMWAHK-UHFFFAOYSA-N 425.470 1.845 0 40 IDAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 19695010 KSGFVIDCTGLNAE-QGZVFWFLSA-N 446.511 1.637 0 40 IDAB COc1cc(OC)cc(C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 22226852 IJEQIULNCXZREH-UHFFFAOYSA-N 434.514 1.697 0 40 IDAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)NCCc1ccc(F)cc1 29141712 CUUDAQJMDBEVPM-NRFANRHFSA-N 427.476 1.611 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 29182263 ZEKOVHDQZWGQLN-IYBDPMFKSA-N 434.562 1.587 0 40 IDAB O=C(NCc1cccnc1-n1cccn1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31226636 WUIGMGILKWKJQN-SFHVURJKSA-N 425.514 1.984 0 40 IDAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 35311643 PQEYLDOJGPFHSK-UHFFFAOYSA-N 427.592 1.766 0 40 IDAB Cc1ccc(-c2csc3c(=O)[nH]c(N4CCC[C@H](C(=O)NCC(N)=O)C4)nc23)cc1 49421308 PNFIKDBENRWQEI-AWEZNQCLSA-N 425.514 1.778 0 40 IDAB CC(=O)NCC(=O)NCC(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 60581493 XFFZHXUPQSQQOD-UHFFFAOYSA-N 432.521 1.451 0 40 IDAB O=c1c2cnc(N3CCN(c4ccccn4)CC3)nc2nc(O)n1-c1ccc2c(c1)OCO2 67262813 RFPNMNMTIZHLFC-UHFFFAOYSA-N 445.439 1.332 0 40 IDAB CCCc1nnsc1C(=O)N[C@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21 72345798 WPHLFLOVBBELFG-INIZCTEOSA-N 436.559 1.929 0 40 IDAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 72394878 VAVVDVFLLFAHTF-LPHOPBHVSA-N 439.512 1.928 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1nnc2ccccc2c1=O 84773999 QZLLBYIQXFMFQB-UHFFFAOYSA-N 441.513 1.411 0 40 IDAB CCN(CCO)C(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C(C)C 84774006 DJDYJAKKBFJVAM-GOSISDBHSA-N 427.567 1.312 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 100987946 BEWMJAHFWGNBPA-QGZVFWFLSA-N 425.441 1.546 0 40 IDAB O=C(NCC1CCN(C2CCOCC2)CC1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 225565962 BKAUZALSHKYTEF-UHFFFAOYSA-N 440.544 1.468 0 40 IDAB Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CC4)[C@H](C(=O)NC4CCCC4)[C@@]34C=C[C@H]2O4)no1 245227632 RDQVWFSCWYQCKD-GOWNKEFISA-N 426.473 1.293 0 40 IDAB CCCCOc1ccc(NC(=O)CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1 257319453 VSPQMXYDMMPZHB-FPOVZHCZSA-N 439.578 1.665 0 40 IDAB Cc1ccnc(N2C[C@@H]3CN(C(=O)c4ccc(S(=O)(=O)N5CCCC5)cc4)C[C@H]3C2)n1 1888903768 VKEUJZPSWJUXDT-OALUTQOASA-N 441.557 1.778 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)N3CCCC3)n2Cc2ccc(F)cc2)n(C)c1=O 1222979 NUEMYGOTRLLCDP-UHFFFAOYSA-N 431.493 1.336 0 40 IDAB COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@]1(O)C(=O)OC[C@]1(O)C2 4720836 DPEYSAOEFZKBPG-WWPVKYPJSA-N 446.452 1.437 0 40 IDAB biogenic Cc1ccnc(SCCn2c(N3CCc4ccccc4C3)nc3c2c(=O)[nH]c(=O)n3C)n1 6444609 YMPKWHYTOREYBI-UHFFFAOYSA-N 449.540 1.877 0 40 IDAB CCOC(=O)Cn1c(C)c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 8709889 PUDIWXYLJYOVSV-UHFFFAOYSA-N 427.436 1.517 0 40 IDAB CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(OC)cc2)c(=O)c3=O)cc1 8849412 UHBUEZBNOVXJCS-UHFFFAOYSA-N 437.456 1.603 0 40 IDAB CCOC(=O)CCCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 9403343 BXCAFVLCPFUZAA-UHFFFAOYSA-N 446.547 1.152 0 40 IDAB O=C(NC[C@H]1OCCCN1S(=O)(=O)c1cccs1)C(=O)NC1CCCCCC1 9577617 PZJIRCOKTITDOG-OAHLLOKOSA-N 429.564 1.440 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(-n4cncn4)cc3)CC2)cc1 9677188 LQUOMBJWXSTSRD-UHFFFAOYSA-N 441.513 1.859 0 40 IDAB CCN(CC)C(=O)Cn1c(=O)n(CCc2ccc(OC)c(OC)c2)c(=O)c2ncccc21 9843902 FVGXPIFPEXBEHH-UHFFFAOYSA-N 440.500 1.687 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1 12080707 ONLOMAKYFYBMKK-SFHVURJKSA-N 445.859 1.300 0 40 IDAB O=C(CSc1nnnn1-c1ccccc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 12549084 YDZLKNCFFSJVCZ-SFHVURJKSA-N 443.554 1.970 0 40 IDAB CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccccn2)CC1 12557908 AIQXGGVHKRGXBQ-UHFFFAOYSA-N 445.545 1.107 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)cc1C(N)=O 12821709 DNEYOLYDHAITHV-UHFFFAOYSA-N 438.937 1.495 0 40 IDAB CN1CCN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)CC1 12882950 KIMXBIACBUIRKG-KRWDZBQOSA-N 429.546 1.497 0 40 IDAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 13124953 CZWYSKQUGLIDLE-CPDNDRDMSA-N 441.553 1.412 0 40 IDAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 13127968 IYWGOCURALJNJM-HNNXBMFYSA-N 432.527 1.982 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3ccccn3)CC2=O)cc1 17167793 VDLXPXWNEKDKAP-MRXNPFEDSA-N 430.530 1.781 0 40 IDAB CNCc1nc(C)c2c(n1)N(CCc1cn(C(=O)CNC(C)=O)c3ccccc13)C(=O)CC2 19703477 NNNJQAWDEYUJNE-UHFFFAOYSA-N 448.527 1.757 0 40 IDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCO 20009390 UNQCTUFQOUAIDI-INIZCTEOSA-N 426.922 1.737 0 40 IDAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCOCC2)cc1 23107430 LWBMXACTOUOFDU-LJQANCHMSA-N 441.484 1.595 0 40 IDAB CCOc1ccc(CC(=O)N2CCN(c3nnc(SCC(=O)NC)s3)CC2)cc1 23141761 IXGPWUFUAGGCGP-UHFFFAOYSA-N 435.575 1.666 0 40 IDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)OCC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 23819698 TZRSMLZHVSLHHG-QHCPKHFHSA-N 438.436 1.959 0 40 IDAB CCN(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 23865562 XCYPTSZAFDIDIV-IBGZPJMESA-N 427.526 1.949 0 40 IDAB COc1ccccc1C(=O)O[C@@H](CN1CCN(C)CC1)CN1C(=O)c2ccccc2C1=O 28293236 GNJDTZBQETUCAK-KRWDZBQOSA-N 437.496 1.764 0 40 IDAB COc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 56998053 VDOVWQYFZGCGDH-MSOLQXFVSA-N 430.482 1.438 0 40 IDAB NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1 58315785 WBZJMAPSOSXDLW-CQSZACIVSA-N 441.431 1.832 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)NC[C@H]1Cc2ccccc2O1 72326216 YYMICIGBWHDUSV-MWTRTKDXSA-N 435.484 1.066 0 40 IDAB CN1C[C@H](NC(=O)C2CCOCC2)CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC1=O 96113314 CRAAUILGTNIVNZ-WOJBJXKFSA-N 430.549 1.600 0 40 IDAB biogenic,in-vitro CS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCN3C(=O)[C@@H]3C[C@@H]4C=C[C@@H]3C43CC3)nc2C1 100238758 GELJSTNBFHRIHU-JXSMBQFASA-N 444.557 1.766 0 40 IDAB CCc1ncnc(O[C@H]2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)C2)c1F 245053641 PEFSKJQDOFHPFZ-HNNXBMFYSA-N 446.504 1.855 0 40 IDAB COC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 245229965 IZMMNXRTNWXGMV-PABYOWBDSA-N 440.427 1.979 0 40 IDAB Cc1cc(-c2cncnc2)cc([C@@H]2CN(C(=O)COCCN3CCCC3=O)CCO2)n1 257212294 CCSCFHFXSIPSFA-FQEVSTJZSA-N 425.489 1.386 0 40 IDAB CCCN1CCN(C(=O)CN2CC(=O)NC2=O)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257212773 CEXJIWMALKFTOT-HXUWFJFHSA-N 449.511 1.292 0 40 IDAB COCCN1C(=O)CN(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)C1=O 824411937 HXQXALYKNWPCRD-HNNXBMFYSA-N 446.479 1.080 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)c1 1888944443 JFHTVQANJSWKMB-OKILXGFUSA-N 444.517 1.137 0 40 IDAB C[C@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 2649740 RUPYMWVDZAPVJJ-LBPRGKRZSA-N 428.397 1.487 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 6177647 URNKSPDGODBVCP-NSHDSACASA-N 431.880 1.819 0 40 IDAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)C1=O 8769475 JLVFTTRJFKGRSQ-CYBMUJFWSA-N 434.518 1.079 0 40 IDAB CC(C)n1c(=O)n(CC(=O)NC[C@@H]2CCCO2)c(=O)c2c3c(sc21)COC(C)(C)C3 9435264 UPLITUUXYVLJNK-ZDUSSCGKSA-N 435.546 1.952 0 40 IDAB Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)N1CCOCC1 9439694 FZHAFPNWNMKFSX-UHFFFAOYSA-N 428.312 1.284 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)N1CCCC1=O 9630968 MCVWMRKTQCRXMW-UHFFFAOYSA-N 438.502 1.566 0 40 IDAB CCc1cccc(OC[C@@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 10385062 IHTPDGQMMUGXEU-KRWDZBQOSA-N 441.532 1.426 0 40 IDAB Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O 11758170 MXOHFDGSJQMPEK-UHFFFAOYSA-N 429.477 1.548 0 40 IDAB CC(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 13513636 FCMLEYGDPGIQDW-HNNXBMFYSA-N 431.580 1.110 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)CN2c3ccccc3C[C@@H]2C)c(=O)[nH]c1=O 13660958 OFZCJBNIEPNVSY-HNNXBMFYSA-N 429.521 1.350 0 40 IDAB Cc1csc(CC(=O)N2CCN(C(=O)CCN3C(=O)COc4ccccc43)CC2)n1 14246619 RXAMVYMVCSWYDF-UHFFFAOYSA-N 428.514 1.481 0 40 IDAB CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)c1cnn(-c2ccccc2)n1 15222964 FAVCUUQOZGVLMI-SLFFLAALSA-N 433.417 1.298 0 40 IDAB O=C(CN1CCCC1)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702955 QUOWDCIFHAZTNT-KRWDZBQOSA-N 444.557 1.764 0 40 IDAB Cc1nc([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)ncc1C(=O)N1CCCCC1 19763269 OFFNBSYBGLGTNX-KRWDZBQOSA-N 437.566 1.168 0 40 IDAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 22231390 DBRAMWFGPWHGJR-UHFFFAOYSA-N 447.557 1.480 0 40 IDAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)cc1 22320945 BZRZCYSGLXGJGD-QFIPXVFZSA-N 438.440 1.267 0 40 IDAB CCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 26357089 KOKKPBHEFRTFJY-UHFFFAOYSA-N 427.567 1.707 0 40 IDAB O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCN(Cc2ccccc2)CC1 29893135 VIQRDNNRMZKYPA-UHFFFAOYSA-N 435.571 1.727 0 40 IDAB O=C(OCc1cc(=O)n2ccccc2n1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 32747220 NSSWBGXXVNXQKD-SFHVURJKSA-N 427.482 1.981 0 40 IDAB Cc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC(C)(C)C)N(C3CCCC3)C(=O)[C@H]24)no1 35289988 KSBRUNIMBIHUGB-IYWKJSDCSA-N 442.516 1.929 0 40 IDAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(O)CC3)cc2c1 57589780 PLVFOISKYFMBNU-RXVVDRJESA-N 438.532 1.857 0 40 IDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)[C@@H](C)n1ncc3ccccc3c1=O)CC2 72347125 SXKRJGKTJKZDNH-MRXNPFEDSA-N 446.511 1.941 0 40 IDAB CCOC(=O)C1=C(CN2CCO[C@H](C(=O)OC(C)(C)C)C2)NC(=O)N[C@H]1c1ccco1 78972838 PCSQIPTYKNLCTO-RDJZCZTQSA-N 435.477 1.493 0 40 IDAB COc1cccc(CNC(=O)Cn2cccc(-c3nc(-c4cnccn4)no3)c2=O)c1OC 90592112 NIJLMWVBGQAGPV-UHFFFAOYSA-N 448.439 1.689 0 40 IDAB O=C(COc1ccccc1)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 97111775 SCWDCSYTEGAROB-OAQYLSRUSA-N 447.495 1.913 0 40 IDAB CN([C@@H](C(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1)S(C)(=O)=O 225126691 PEJIORUPFFUQNC-OAQYLSRUSA-N 431.558 1.768 0 40 IDAB CC(=O)O[C@@H]1C(=O)N(c2ccccc2C(F)(F)F)C(=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 245229294 SRFRFBMTKZZFFR-QKDCVEJESA-N 431.319 1.374 0 40 IDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)[C@H]2Cc4ccccc4O2)C3)n1 306125058 CFYIUKHOEFMEOS-FUHWJXTLSA-N 429.498 1.183 0 40 IDAB C[C@H](CC(=O)N1CCN[C@@H](c2cccnc2)C1)CC(=O)N1CCN[C@H](c2cccnc2)C1 505563858 BQBYLXFPOWYKRI-RGPKIKJVSA-N 436.560 1.539 0 40 IDAB O=C(CN1CCN(c2nccc(N3CCCC3)n2)CC1)N1CCN(c2ccccc2)CC1 1889221320 YEHVANMLPSTALG-UHFFFAOYSA-N 435.576 1.548 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(NCCc1ccccc1)n2C[C@H](O)COc1ccccc1 626019 FJBLOXIGYXQGRP-KRWDZBQOSA-N 435.484 1.518 0 40 IDAB aggregator Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)CN(C(C)C)C(C)C)C2)cnn1C 2732391 GQHVSQUGHNTAPE-SJLPKXTDSA-N 427.615 1.753 0 40 IDAB O=S1(=O)C(Cl)(Cl)S(=O)(=O)C(Cl)(Cl)S(=O)(=O)C1(Cl)Cl 4692655 CVGYZLZOSMRITM-UHFFFAOYSA-N 440.946 1.511 0 40 IDAB CC(C)n1c(O)c([C@H]2c3ccc(O)cc3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c(=O)[nH]c1=O 9488342 NQWWSJUFPRVTIR-CYBMUJFWSA-N 442.428 1.246 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)NC(=O)N[C@@H]1C 9579517 CIIHJRJJHGHUGI-ZIAGYGMSSA-N 445.472 1.418 0 40 IDAB CC[C@H](C)N(C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 9634661 BKQNPAHAWGUXCE-DZGCQCFKSA-N 431.532 1.061 0 40 IDAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 11905951 UYSVXMAKYVGNDJ-UHFFFAOYSA-N 438.483 1.269 0 40 IDAB O=C(NCCCc1ccccc1)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc2c(c1)OCO2 12080730 WVDSSQHABJBYDJ-FQEVSTJZSA-N 439.468 1.079 0 40 IDAB COc1ccc([C@@H]2C[C@H](C(=O)Nc3cccnc3Cl)N(C)S(=O)(=O)N2)cc1OC 12129826 ZSKIMCNQWRKZLU-UONOGXRCSA-N 440.909 1.971 0 40 IDAB Cc1cn2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc2n1CC(=O)O 12558759 BMNFNGGKIGGARC-UHFFFAOYSA-N 446.261 1.353 0 40 IDAB Cc1nn(Cc2nnnn2-c2ccccc2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 12620654 UZBBMDSLMGGXDF-UHFFFAOYSA-N 427.490 1.938 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(=O)[nH]c1=O 12896818 AGIFEZZZUXAOSV-XCLFUZPHSA-N 437.566 1.362 0 40 IDAB O=C(CCN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC(=O)NC1CCCC1 13010180 YDDGHDVTPGOWCO-UHFFFAOYSA-N 440.541 1.681 0 40 IDAB CCc1ccc2c(c1)[C@@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15959174 WZMLRSVHAXQUKU-MSRZUHFOSA-N 433.508 1.593 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1CCN(c2ccccc2F)CC1 18493526 IKABAYGKCKAIOD-HSZRJFAPSA-N 438.459 1.704 0 40 IDAB CCS(=O)(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699399 HBHNNYZOADDLAM-GOSISDBHSA-N 434.562 1.387 0 40 IDAB Cc1ccc(C)c(Cn2c(CN3C[C@@H](C)O[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 20235265 BOKBJZBKPBOLMX-IAGOWNOFSA-N 425.533 1.708 0 40 IDAB O=S(=O)(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 22227764 QZKPKCDFEDXZPU-UHFFFAOYSA-N 428.507 1.368 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)CN1CCN([C@@H](C(N)=O)c3ccccc3)CC1)OCO2 22911884 PDJQOJIRYHJICT-JOCHJYFZSA-N 438.484 1.401 0 40 IDAB CN(C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)[C@@H]1CCS(=O)(=O)C1 24633930 WCHQFHNXIGZLQV-LLVKDONJSA-N 441.600 1.742 0 40 IDAB Cn1c(=O)c2c(ncn2CCOC(=O)c2ccc(OCc3cscn3)cc2)n(C)c1=O 25066855 QPNZFAOMLFCJIM-UHFFFAOYSA-N 441.469 1.326 0 40 IDAB Cc1ccc(S(=O)(=O)NCCNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 26105322 NOHKSXJAILORAD-UHFFFAOYSA-N 439.559 1.019 0 40 IDAB O=C1N[C@@H](C(=O)N2CCN(Cc3ccccn3)CC2)CS[C@@H]1Cc1ccccc1F 32823378 CJAYATVHYPAZTB-WOJBJXKFSA-N 428.533 1.708 0 40 IDAB NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C1 32933564 VHQHYYDVCJYBDE-LBPRGKRZSA-N 428.461 1.584 0 40 IDAB CCOC(=O)CNC(=O)CSc1nc2c(cnn2Cc2cccc(Cl)c2)c(=O)[nH]1 36712361 RVWNHWKJCKZBJQ-UHFFFAOYSA-N 435.893 1.593 0 40 IDAB CC(=O)[C@@H](C)n1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56896004 GJLRDFFGYYKMTC-CYBMUJFWSA-N 444.923 1.549 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H]([C@H]4Nc5ccccc5S(=O)(=O)N4)C3)cc2n1 72342527 PSVKMJASASWSEV-YWZLYKJASA-N 440.529 1.928 0 40 IDAB COc1ccccc1N1CCN(Cc2c(O)c(=O)cc(CN3CCOCC3)n2C)CC1 95479397 LJRMTHZZSBOIRN-UHFFFAOYSA-N 428.533 1.254 0 40 IDAB COc1ccc(-c2n[nH]c(C)c2CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)cc1 96117124 HEFDLRNVMWCBAJ-UHFFFAOYSA-N 433.468 1.756 0 40 IDAB COc1cccc(C(=O)NC[C@@]2(COc3ccc(S(C)(=O)=O)cc3)C[C@H](O)[C@H](O)C2)c1 107283784 XCNLFSHLSAENOC-XVAYZXCPSA-N 449.525 1.410 0 40 IDAB biogenic,in-vitro Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225822493 ASLTXWUEBOVWSE-UHFFFAOYSA-N 431.518 1.659 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225880130 UGGBAJGIFBBFIK-UHFFFAOYSA-N 446.576 1.658 0 40 IDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CC[C@]3(CCC2=O)Nc2ccccc2S(=O)(=O)N3)C1 253601450 AQUNBDLGTBRWTD-VWKPWSFCSA-N 434.562 1.604 0 40 IDAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)CCN1Cc1ccccc1 257268761 MNATUISEPGZLCU-NRFANRHFSA-N 432.528 1.957 0 40 IDAB O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1)c1cnco1 257313802 UUEYRUUKFXCVEK-SCPDWHHUSA-N 449.511 1.571 0 40 IDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1 257327220 XANNAZRRSSBSNN-DEOSSOPVSA-N 439.560 1.973 0 40 IDAB COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 549548823 HMEPFGWDJMGGDK-UHFFFAOYSA-N 425.488 1.877 0 40 IDAB CCn1nc(C)c(CCC(=O)N2CCC[C@@]2(COC(C)=O)CC(=O)N2CCOCC2)c1C 643587128 WOSPKERUSCAGMY-QHCPKHFHSA-N 448.564 1.626 0 40 IDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)n1 678884413 IODAFKSPRLNUHW-BEFAXECRSA-N 434.522 1.445 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888920866 IQGZPCNZJPJLQQ-CQSZACIVSA-N 431.522 1.442 0 40 IDAB N=c1cc(-c2c[nH]nc2[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc[nH]1 2037748823 GTCAEPHKBQOLEV-AWEZNQCLSA-N 427.486 1.834 0 40 IDAB O=C(COC(=O)CCS(=O)(=O)c1ccccc1Cl)NC(=O)NCc1ccco1 3302414 ZDYMYQFZZFGTKF-UHFFFAOYSA-N 428.850 1.666 0 40 IDAB COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)CCCC(=O)O)CO[C@H]34)n2)cc1 5433657 GSMPMDYSNFYDDK-ZCLUNYJNSA-N 442.472 1.470 0 40 IDAB biogenic,in-vitro CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O 6002586 HZXWVCLHZLFBCA-CVEARBPZSA-N 435.521 1.824 0 40 IDAB COc1ccccc1CNC(=O)[C@@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1)C(C)C 8789493 FAIBABZLZCCOIP-FPOVZHCZSA-N 444.576 1.443 0 40 IDAB biogenic CCCn1c(N)c(N(CCOC)C(=O)CN2c3ccccc3CC[C@H]2C)c(=O)[nH]c1=O 9647723 AJCAOOKNQQHEHL-OAHLLOKOSA-N 429.521 1.350 0 40 IDAB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CCCN3C3=NS(=O)(=O)c4ccccc43)cc2NC1=O 9726017 VRALGDPWYKZZQY-LRDDRELGSA-N 440.481 1.958 0 40 IDAB CN(C(=O)c1cc(Cl)c2c(c1)OCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9820257 YRIUOAYZJIEWNP-UHFFFAOYSA-N 442.859 1.868 0 40 IDAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)OCC(=O)N1CCCCCC1 12571507 IZXCLGIFNDPOLW-UHFFFAOYSA-N 430.548 1.257 0 40 IDAB CCOc1ccccc1-c1nnc(SCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)o1 12683224 JIYYZWYHUBUORU-NSHDSACASA-N 440.503 1.240 0 40 IDAB Cc1cc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n2ncnc2n1 12744942 QYVKNGFMRKZHJU-UHFFFAOYSA-N 443.352 1.768 0 40 IDAB Cn1c(N)c(N2CCCCC2)c(=O)n(C[C@@H](O)COc2ccc(Cl)cc2Cl)c1=O 12854871 XWNRDIZCMJNABE-CYBMUJFWSA-N 443.331 1.866 0 40 IDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 16179736 FKFAHJKQZQVPOQ-UHFFFAOYSA-N 425.470 1.008 0 40 IDAB COc1ccc(CN2CCc3c([nH]c([C@H]4CCN(C(=O)c5ccn(C)n5)C4)nc3=O)C2)cc1 19290879 GHZMVKJTEUECGB-KRWDZBQOSA-N 448.527 1.700 0 40 IDAB CN(CCO)C(=O)c1cc([C@@H]2CN(C(=O)CN3CCCCC3)CCO2)nc2ccccc12 19759410 WTHSWKHSNAKMFV-QFIPXVFZSA-N 440.544 1.685 0 40 IDAB CN(CCc1ccccc1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)Nc1ccc(F)cc1F 20465802 RGZJNPIOFRTFQS-IVAOSVALSA-N 435.471 1.750 0 40 IDAB biogenic,in-vitro O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)cc1 22228845 DCNWYOSUEQLJIZ-UHFFFAOYSA-N 437.905 1.616 0 40 IDAB CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 29186892 BLRYOQDCICPUDY-UHFFFAOYSA-N 432.384 1.932 0 40 IDAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1cccc(N2CCCC2=O)c1 32858449 JGSVOBYIANFZNV-UHFFFAOYSA-N 426.454 1.804 0 40 IDAB Cc1ncc(CN(C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 48324002 GVEOGNIIJCDYGZ-CQSZACIVSA-N 438.575 1.931 0 40 IDAB O=c1n(Cc2c(F)cccc2Cl)nc2ccc(S(=O)(=O)N3CCOCC3)cn12 49408119 HDTGUCVTRLCNQY-UHFFFAOYSA-N 426.857 1.358 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)cc1 49409245 PAAGNDBQTRREIE-UHFFFAOYSA-N 447.513 1.838 0 40 IDAB CCCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3OC)CC2)c1=O 57477448 CDALTQRKDBILCF-UHFFFAOYSA-N 436.512 1.931 0 40 IDAB CCOC(=O)CN(C)Cc1nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)n1CCC(C)C 60329936 SDGBJPKACBTJAS-UHFFFAOYSA-N 441.532 1.976 0 40 IDAB Cc1noc(C)c1S(=O)(=O)NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 72270786 NTMUCYJDGUIIIN-NSHDSACASA-N 442.291 1.912 0 40 IDAB COc1ccc(CC(=O)N2CC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1OC 72395196 WSCAPKDDWUEKAN-INIZCTEOSA-N 428.489 1.182 0 40 IDAB O=C(C[C@@H](CN1CCN(Cc2cccnc2)CC1)C(=O)O)Nc1ccc2c(c1)OCO2 72405253 YHYZLQMQKNHZFQ-KRWDZBQOSA-N 426.473 1.658 0 40 IDAB CNC(=O)Cc1noc(CN2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)n1 79020139 NKUQDXRNISFDGV-UHFFFAOYSA-N 435.550 1.098 0 40 IDAB Cc1nc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)no1 95465076 FMOYLQUNWNCBNP-UHFFFAOYSA-N 442.457 1.621 0 40 IDAB Cc1ccc(CC(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@@]32CCN(C)C2=O)cc1 96144295 LSVVZPVLIZLDNN-XMMPIXPASA-N 426.561 1.992 0 40 IDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O 96993372 SBMCDEWMKHGANX-MBFWDRTGSA-N 443.572 1.715 0 40 IDAB CN1C(=O)[C@H]2[C@@H](C1=O)N1[C@H](c3cccs3)[C@H]3C(=O)N(C)C(=O)[C@H]3N1[C@@H]2c1cccs1 136012279 SPHHDFIPWOIWAC-JQOWZUPLSA-N 442.522 1.105 0 40 IDAB O=C(CCNS(=O)(=O)c1cccc(F)c1)NC[C@H]1CCCN(c2nccs2)C1 206832177 RNTYPDNJQKBVBS-CQSZACIVSA-N 426.539 1.983 0 40 IDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)cc1 222666318 FFXQPJJTPMBGHP-LJQANCHMSA-N 448.497 1.721 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224265332 ZDZHPYHLICDRAW-UHFFFAOYSA-N 432.495 1.442 0 40 IDAB NCCCOc1cccc(C(=O)N[C@H]2CCC[C@H](n3cnc4c(N)ncnc43)[C@H]2O)c1 257339980 ZEACJIVFMYLJFH-BQFCYCMXSA-N 425.493 1.021 0 40 IDAB CN(C)C(=O)c1cc([C@H]2CC[C@H](CNC(=O)CNS(C)(=O)=O)CC2)nc2ccccc12 257367006 YINWPWCRCJPQLT-WKILWMFISA-N 446.573 1.876 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(S(=O)(=O)NC(C)C)c2)CC1 408700079 ASHZHDFMPRZMBT-UHFFFAOYSA-N 427.523 1.686 0 40 IDAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)NCc1ccc2c(c1)OCO2 585147725 VHZIBFACFHORBJ-UHFFFAOYSA-N 430.486 1.948 0 40 IDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)(C)C)C2)cc1 1363419 OTQZUBBTSYZQGO-CQSZACIVSA-N 431.580 1.252 0 40 IDAB CN1C(=O)N(C)C(=O)C2(Cc3c(nc4ccccn4c3=O)N(C)[C@H]2c2ccccc2)C1=O 2347657 DCHVATICDBIEBC-KRWDZBQOSA-N 431.452 1.465 0 40 IDAB CC(C)[C@H](OC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C(=O)NC(N)=O 3325412 ZXNHMHODZDUGEC-KRWDZBQOSA-N 430.438 1.440 0 40 IDAB COCCN(CC(=O)NCc1ccc(OC)cc1)C(=O)CCC(=O)Nc1nccs1 6552320 AZSGVIIXYCAABD-UHFFFAOYSA-N 434.518 1.662 0 40 IDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)CC(=O)NCc2ccco2)C1=O 9223455 GFIQKHDGNLDGBL-OAQYLSRUSA-N 430.436 1.351 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cc2)CC1 9589717 JKYXFPFFNBFBIE-UHFFFAOYSA-N 436.468 1.652 0 40 IDAB CCN(C(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 9612864 SZHBJDQIVZDXSE-LQYUOIDQSA-N 441.502 1.304 0 40 IDAB CCn1c(S[C@H]2C[C@@H](C)OC2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9871098 PSNHWDGNPIRIHB-WBMJQRKESA-N 425.532 1.873 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@@H](c2ccc(C(=O)OC)cc2)n2nnnc2N1 10232071 DBDWWZKYEWMOBO-QGZVFWFLSA-N 437.387 1.924 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1 12410045 KFUYGPMQDZXCHJ-MRXNPFEDSA-N 443.529 1.813 0 40 IDAB COCCn1/c(=N\C(=O)Cc2ccc3c(c2)OCO3)sc2cc(S(N)(=O)=O)ccc21 13968962 XERCUDATQKTCFH-XUTLUUPISA-N 449.510 1.395 0 40 IDAB Cc1cccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(Cc4ccc5c(c4)OCO5)CC3)N2)c1 14607000 ADJQVTRQKPCMCY-LJQANCHMSA-N 449.511 1.725 0 40 IDAB CCc1cccc2c1NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 15958406 SQGPABFIJDWYSY-RAEPRXOMSA-N 449.507 1.559 0 40 IDAB biogenic COc1ccc(N2C[C@H](C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 17011514 VPOFVGDOSRDAKT-GDBMZVCRSA-N 432.502 1.551 0 40 IDAB CCOC(=O)C1=C(COC(=O)CSCC(=O)Nc2ccc(Cl)cc2)NC(=O)NC1 18262988 SAXOVZRLQOFQHY-UHFFFAOYSA-N 441.893 1.685 0 40 IDAB CSc1nc2nc(C)c(CC(=O)OCC(=O)NCCOc3ccccc3)c(C)n2n1 19356644 ZXQMGUKCUCWQES-UHFFFAOYSA-N 429.502 1.744 0 40 IDAB CS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1 19573389 LSLWKEZJTPEJMC-QGZVFWFLSA-N 438.509 1.794 0 40 IDAB C[C@@H](NC(=O)c1ccc2ncccc2c1)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1 19575424 JHEVNXWVPZMPRA-RHSMWYFYSA-N 431.514 1.205 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCN(C[C@H]4CC=CCC4)C3)nc(O)c2C1 19583777 FHVUGNNLWAADPR-DLBZAZTESA-N 435.594 1.882 0 40 IDAB C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1ccccc1)S(C)(=O)=O 19681136 WIWQHUCOZPKSOP-KRWDZBQOSA-N 445.541 1.914 0 40 IDAB COc1ccc(OCCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)cc1 19796958 OBPLIASNEQVJBT-OALUTQOASA-N 425.528 1.303 0 40 IDAB COc1c2c(cc3c1[C@H](c1c(O)n(-c4ccccc4F)c(=O)[nH]c1=O)N(C)CC3)OCO2 20412500 MARHQSIMVLSWQT-QGZVFWFLSA-N 441.415 1.685 0 40 IDAB biogenic Cn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc2c(c1)OCCO2 21713973 UATXQFINZYMZFB-UHFFFAOYSA-N 447.451 1.355 0 40 IDAB CC(C)CN1CCO[C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)C1 22693649 ULOWPZTVVAOJRU-MRXNPFEDSA-N 429.970 1.867 0 40 IDAB CC(=O)NCCCc1ccc(C(=O)COC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 23298603 DOYCNTZXGVAYBG-UHFFFAOYSA-N 443.500 1.736 0 40 IDAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 23718219 RPFLFEDAYNJBMS-UHFFFAOYSA-N 446.573 1.694 0 40 IDAB C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 23752289 LNZYMPBJZCGNNZ-GFCCVEGCSA-N 439.438 1.078 0 40 IDAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCS(=O)(=O)CCC(N)=O)CC2 23865022 KZRKLXLAGOZFRI-QFIPXVFZSA-N 432.542 1.942 0 40 IDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(NC(C)=O)cc1)n2CCN1CCOCC1 23866745 RSZPZMCSTLAWRK-UHFFFAOYSA-N 440.504 1.254 0 40 IDAB CC(=O)c1cccc(NC(=O)Cn2cccc3c(=O)n(Cc4ccccn4)c(=O)nc2-3)c1 32615395 WGURUANWKFLFGL-UHFFFAOYSA-N 429.436 1.794 0 40 IDAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc(N3C(=O)c4cnncc4C3=O)cc2)C1 33941086 HDFZFAJXNBOAJY-INIZCTEOSA-N 435.484 1.998 0 40 IDAB Cc1cccc2c1NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 35363875 BDRXNLLNSXNAAR-VZTCAHHPSA-N 449.463 1.025 0 40 IDAB biogenic COc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccco2)N3C)cc1 35442362 RLKQHLQOIKYZHQ-ZEYPLWLESA-N 440.544 1.758 0 40 IDAB biogenic,in-vitro CCOC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)CC1 36580031 UIRHYBNOOXCYDX-CYBMUJFWSA-N 432.477 1.604 0 40 IDAB Cc1noc(C)c1S(=O)(=O)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 36701447 OLKFMRMEYGNXJY-UHFFFAOYSA-N 432.437 1.893 0 40 IDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1 58433694 DBXINFHNBBFOOB-UHFFFAOYSA-N 446.529 1.400 0 40 IDAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)Cc4ccccc4-5)C3)CC2)N1 64787356 DYOIMJPHLPJUSY-KRWDZBQOSA-N 444.491 1.811 0 40 IDAB C[C@@H](C(=O)NCCc1cccc(F)c1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326356 TZVKNJOBMWVVHU-WNSKOXEYSA-N 439.491 1.832 0 40 IDAB COc1cccc(N2CCN(C(=O)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)c1 72405942 KCXJUSNZXIILDP-SFHVURJKSA-N 432.546 1.831 0 40 IDAB CC[C@H](C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1F 77291265 ROZMKYXKWMBTLS-QGEKONGRSA-N 443.428 1.758 0 40 IDAB in-vitro C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCc3ccccc3[C@@H]2CO)C1=O 79074997 UYOUVTFSCXSZLS-GBXCKJPGSA-N 436.512 1.553 0 40 IDAB Cc1n[nH]c(SCCNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)n1 222759635 PDKBKCPVQAQZLY-UHFFFAOYSA-N 441.579 1.643 0 40 IDAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222991348 HMFRZHCOHCEFJO-SFHVURJKSA-N 443.525 1.693 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccc1F 224714912 HHBUTHXGHCKLNI-UHFFFAOYSA-N 435.521 1.740 0 40 IDAB Cc1ccc(S(=O)(=O)N2CC3(C2)[C@H](COc2nccc(C)n2)CCS3(=O)=O)cc1 306128112 GQGCEQDACYDHNI-INIZCTEOSA-N 437.543 1.350 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408670119 WRFVURHFVPDIFZ-YXUGBTPSSA-N 426.425 1.152 0 40 IDAB Cc1cc(C)n(CCOc2ccc(CN3CC[C@@](O)(CN4CCN(C)CC4)C3)cc2)n1 585271353 WVPMLTWIHMUXQR-XMMPIXPASA-N 427.593 1.763 0 40 IDAB CC(=O)N1CCC(N2C[C@@H]3OCCS(=O)(=O)N(Cc4cc(C)cc(F)c4)[C@@H]3C2)CC1 1534645964 ZVVULNGPXBLUPV-RTWAWAEBSA-N 439.553 1.360 0 40 IDAB CCOc1cccc2c1OCCOCCN(C(=O)c1cn(C)nn1)C[C@@H]1CCCN1C2 1615189695 IKQZBRNWJMDLMO-SFHVURJKSA-N 429.521 1.730 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)CC1 1888869795 USMSROMWQHRSAF-OKILXGFUSA-N 447.483 1.062 0 40 IDAB CCn1c(=O)c(C(=O)CN2CC(=O)Nc3ccccc32)c(N)n(Cc2ccccc2)c1=O 3357615 KJJKGXWNPCODBF-UHFFFAOYSA-N 433.468 1.302 0 40 IDAB O=C(OCCN1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)c2cccs2)CC1 3410943 UIZUXQCCYKABAR-UHFFFAOYSA-N 448.522 1.988 0 40 IDAB CCN1CCC[C@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 4272314 NPZKXLBZMSFXQD-KRWDZBQOSA-N 426.517 1.283 0 40 IDAB CC(=O)OC[C@@H]1O[C@](COC(C)=O)(OCc2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4721291 OHRHZBQVAOMZNX-TUFLPTIASA-N 438.429 1.288 0 40 IDAB Cc1cc(N2CCN(C)CC2)nc(SCC(=O)N2CCN(c3ccccn3)CC2)n1 5926511 MGZXEEDFUKHGJO-UHFFFAOYSA-N 427.578 1.373 0 40 IDAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@@]12C(=O)N(C)c1ccccc12 9189933 PUOWCWVVJSTFJV-XMMPIXPASA-N 447.447 1.796 0 40 IDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 9335836 KPJPWCIQPXQUQS-SFHVURJKSA-N 449.504 1.994 0 40 IDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 9386426 NSCDCGSRZFLIBH-FQEVSTJZSA-N 446.485 1.470 0 40 IDAB Cc1ccc(S(=O)(=O)n2ccn(CC(=O)N3CCN(c4ccccc4)CC3)c2=O)cc1 9573789 QBXMZXZBCVVQEQ-UHFFFAOYSA-N 440.525 1.544 0 40 IDAB Cn1c(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nnc1[C@H]1CCS(=O)(=O)C1 9592592 PHCWECSHAQCQNQ-LBPRGKRZSA-N 437.547 1.256 0 40 IDAB NC(=O)C1CCN(C(=O)Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)CC1 9828548 GEIRIIIGPYLPFT-UHFFFAOYSA-N 442.950 1.864 0 40 IDAB Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1CCN1CCCCC1 10271972 ILBIRDFDNFMKAS-UHFFFAOYSA-N 441.580 1.430 0 40 IDAB Cn1ccnc1-c1cc2nc3c(c(NCCS(=O)(=O)N4CCCC4)n2n1)CCCC3 12087654 UPOPHFWCEFMWIX-UHFFFAOYSA-N 429.550 1.846 0 40 IDAB COc1cc(-c2nnc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc(OC)c1OC 12248729 AJWCWIMZOZQQEL-LLVKDONJSA-N 443.503 1.158 0 40 IDAB Cc1c(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)c(=O)n(-c2ccccc2)n1C 12422722 ZBFQMWAJTPCOKU-UHFFFAOYSA-N 425.470 1.349 0 40 IDAB O=C(Nc1nc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cs1)c1ccc[nH]c1=O 12879887 JZCOSEOGQRQURV-UHFFFAOYSA-N 441.469 1.204 0 40 IDAB CC1(C)Cc2c(sc3c2c(=O)n(CCCO)c(=O)n3CC(=O)NC2CCCCC2)CO1 13623909 KFJKLGLLWTXDHE-UHFFFAOYSA-N 449.573 1.907 0 40 IDAB COc1ccccc1-n1nnnc1SCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 15410990 VGDRDOMZKHSHNR-AWEZNQCLSA-N 439.563 1.435 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)[C@@H]2c2ccccc2)cc1 19211521 XQIQRUSPSNHALZ-QFIPXVFZSA-N 429.542 1.859 0 40 IDAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCN(C4CCCCC4)C(=O)C3)ccc21 19572476 ALGZZZVYCVCYBJ-OAQYLSRUSA-N 435.590 1.909 0 40 IDAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)S(=O)(=O)N(C)C)nc32)c1 19698647 LVYSDODAVGCNPF-UHFFFAOYSA-N 447.561 1.554 0 40 IDAB Cc1cc(NC(=O)Cn2cccc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)c2=O)no1 19750034 IRCWQISSPZERHJ-IBGZPJMESA-N 435.484 1.912 0 40 IDAB O=C(Cn1cccn1)N1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19762169 PCXDIYSSJJAWKP-NRFANRHFSA-N 435.484 1.504 0 40 IDAB CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NCCCN3CCOCC3)cc2c1 19822912 NPOOQNIMVGTPNY-UHFFFAOYSA-N 446.617 1.872 0 40 IDAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1cc(F)c(F)c(F)c1 36359460 WHJOAJLYHFTHPZ-OAHLLOKOSA-N 427.404 1.622 0 40 IDAB COc1ccc(OCCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 40015822 PGVKFPYABWCHLT-UHFFFAOYSA-N 436.486 1.282 0 40 IDAB Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCSCC1 85879625 VLRTUOMFEOVXSR-SJORKVTESA-N 442.585 1.421 0 40 IDAB biogenic O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 95991643 LBHFFRPBLHQUEC-HZPDHXFCSA-N 426.922 1.893 0 40 IDAB COc1ncccc1CN1CCC2(CC1)O[C@H](C(=O)NC[C@H]1CCCO1)Cn1ccnc12 96243780 HQOGRSZWJUJREE-MOPGFXCFSA-N 441.532 1.472 0 40 IDAB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)[C@@H]1C(=O)Nc1nc(-c2cccc(F)c2)cs1 101186954 UGWUYKDCXVWABE-HIFRSBDPSA-N 436.490 1.909 0 40 IDAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)cc2)c1C 102324518 DQYDSTRAERNLKZ-VGWMRTNUSA-N 435.458 1.909 0 40 IDAB COc1ccc(CCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224498838 FNGRBRCZZAMFQM-UHFFFAOYSA-N 448.541 1.844 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)s1 225237837 WHLXBASQFFIHEJ-NSHDSACASA-N 439.519 1.596 0 40 IDAB COc1cc(CNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc(OC)c1OC 225384275 CUXYNEAJUPXMDF-UHFFFAOYSA-N 430.508 1.637 0 40 IDAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(OC)cc2)c(Cl)c1 408637049 WQKXEIXIWLNVOF-UHFFFAOYSA-N 442.921 1.969 0 40 IDAB CC1CC(C(=O)N2CCN3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@@H]3C2)C1 585109941 PTPXEAZQJTUCMO-PVARCSIZSA-N 426.496 1.592 0 40 IDAB O=C(CN1C(=O)CCC1=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 585147567 XSJNRITWTMESDZ-UHFFFAOYSA-N 426.448 1.437 0 40 IDAB CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)O)CC(=O)N[C@H](CC(C)C)C(=O)N1 643563043 HJDKDQCULUXMFC-NXHRZFHOSA-N 447.532 1.714 0 40 IDAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(-c2ccc(C(=O)O)cc2)c1=O 2133026 GISWXJGBESOJCZ-IBGZPJMESA-N 448.435 1.655 0 40 IDAB biogenic O=C(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3247264 YOSBMBADPXZLFT-UHFFFAOYSA-N 431.514 1.796 0 40 IDAB O=C1NC(=O)[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCCCC2)N1 4035264 XWSWDEORCUWFLL-QGZVFWFLSA-N 430.505 1.968 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccc(OC)c(OC)c1)C2=O 8769197 UHSUXERYLFTRFC-UHFFFAOYSA-N 432.521 1.159 0 40 IDAB C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc(Cl)cc1 8853043 HLNVRHRMVBOCHR-BXUZGUMPSA-N 441.893 1.376 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccccc1OC 8990460 OREUEFQZCPQKON-ROUUACIJSA-N 438.488 1.014 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCCOCCOCC2)cc1 9019067 WDMGFORRILPKQD-FQEVSTJZSA-N 442.578 1.580 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCCC1 9487697 HYZPEQYNNJBXSX-KKSFZXQISA-N 429.517 1.964 0 40 IDAB C[C@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 9597050 FTCJWAAODYMDQF-INIZCTEOSA-N 432.498 1.742 0 40 IDAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@H]32)cc1 9675573 DPSISPCLGVGVBZ-OALUTQOASA-N 439.428 1.644 0 40 IDAB CCCn1c2c(c(=O)n(C)c1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 9704851 XZDBRXBRTCAJLU-OAHLLOKOSA-N 443.456 1.351 0 40 IDAB O=C(CSc1nnnn1Cc1cccs1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 9714123 UZFRNQHHHVIJRW-CQSZACIVSA-N 441.604 1.833 0 40 IDAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 12416573 UMYRZFUHCXVESU-GTENMVSRSA-N 438.461 1.927 0 40 IDAB C/C(Cl)=C\Cn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 12442704 VFTBRINQBBCGGH-OQLLNIDSSA-N 428.924 1.903 0 40 IDAB CCC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13097198 AQOLRNSBSPXSQE-INIZCTEOSA-N 425.551 1.459 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 13128539 KDAYJBZHXWZNFI-UHFFFAOYSA-N 430.935 1.510 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 13163655 RSPMGFZNYPVPDG-UHFFFAOYSA-N 446.529 1.494 0 40 IDAB O=C(CSc1nnnn1Cc1ccco1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13408453 XUJBHMMCFDEXEU-MRXNPFEDSA-N 426.458 1.700 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)CSc2nnnn2Cc2ccccc2)s1 14086264 NCOKCZQWYURZSY-UHFFFAOYSA-N 437.572 1.850 0 40 IDAB CCN(CC(=O)N1CCc2sccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14240464 PYHZXJRERGTJIV-UHFFFAOYSA-N 439.541 1.640 0 40 IDAB CCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)n[nH]c1=O 16039533 PUQSZFQTWMAMBU-UHFFFAOYSA-N 433.943 1.616 0 40 IDAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19527385 CZWRRQGVRDVLHS-FQEVSTJZSA-N 431.496 1.995 0 40 IDAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(OC)c2)N2CCN(C)CC2)cc1 22778536 BKLOYPXTRRRSAI-NRFANRHFSA-N 426.517 1.747 0 40 IDAB C[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 22916920 VBEWWWCEQXBAIN-RBUKOAKNSA-N 441.576 1.769 0 40 IDAB CCN1CCC[C@H]1CNCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 23352037 RSOYBLPYTIHWMG-NRFANRHFSA-N 444.601 1.747 0 40 IDAB COc1cc(CCC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(OC)c1OC 32859649 KCIACEJEQGNMKI-UHFFFAOYSA-N 429.429 1.997 0 40 IDAB CCN1CCN(c2nc3ncn(CC(=O)N4CCCc5ccccc54)c(=O)c3s2)CC1 67225865 QIVIPCAAZJAKFK-UHFFFAOYSA-N 438.557 1.974 0 40 IDAB O=C1CO[C@H](c2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@@H](CO)N1C1CCOCC1 72321521 AEKBLNQGGHEWAX-IFMALSPDSA-N 446.525 1.927 0 40 IDAB biogenic,in-vitro CC(=O)NCc1cnc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc1C(F)(F)F 72356235 PRFYDEVJSLDEDN-HNNXBMFYSA-N 431.440 1.996 0 40 IDAB COc1ccc(S(=O)(=O)CCNC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)cc1 79489068 RUZPBOIZABVKPA-QGZVFWFLSA-N 432.546 1.909 0 40 IDAB COc1ccc(CCN2C[C@@]34CN(C(=O)c5ccccc5)C[C@@H](C[C@@H]3S2(=O)=O)O4)cc1 96146024 ANRXVLNANLTRHP-GIWBLDEGSA-N 442.537 1.935 0 40 IDAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-n2cnnc2)c1C 223643842 PDDVYKKRNMYARF-OALUTQOASA-N 425.518 1.938 0 40 IDAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)CC 239306272 GQMGPKYVBVSMLI-WOYTXXSLSA-N 440.585 1.933 0 40 IDAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)o1 257226279 FJZABPHEUQRZTD-INIZCTEOSA-N 438.484 1.691 0 40 IDAB CC(=O)N1CC(=O)[C@@H]([C@@H](c2cccnc2)c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])C1=O 524732791 NYKSQASWADIOKX-YADHBBJMSA-N 432.480 1.888 0 40 IDAB CC(C)CC(=O)N1CCCN(C(=O)c2cc(O)nc(O)n2)CCNCc2ccccc21 643557669 SXHHRVBAHCEHIY-UHFFFAOYSA-N 427.505 1.903 0 40 IDAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2C)cc1 2443542 XSGXLOKLJGWHFJ-UHFFFAOYSA-N 433.515 1.869 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 8231382 FILZFNLAOVLMSO-RCDICMHDSA-N 425.489 1.772 0 40 IDAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 8622868 NQACYLLKIJHNSZ-IBGZPJMESA-N 433.873 1.952 0 40 IDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1=NN(c2ccccc2)C(=O)CC1 9130336 HNJUFCHKLAXUHG-UHFFFAOYSA-N 442.497 1.829 0 40 IDAB CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C 9517512 YJHZSDUUBQMFAA-UHFFFAOYSA-N 427.530 1.963 0 40 IDAB CCN(CC)C(=O)CSc1nc(-c2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C 9517592 HKLCJZKPPYWYFJ-UHFFFAOYSA-N 431.493 1.794 0 40 IDAB O=C1C[C@H](NC2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 9934124 WIKVVFZUGKIAOX-IBGZPJMESA-N 431.489 1.901 0 40 IDAB COCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 10219858 RCUSYGXVBAEGEW-UHFFFAOYSA-N 426.882 1.045 0 40 IDAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 10276969 TXNYHGQUZMGAEX-QFIPXVFZSA-N 449.507 1.867 0 40 IDAB COc1ccc(OC)c(N(CC(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)c1 10540557 KVIXOEYYRJOXJN-UHFFFAOYSA-N 427.567 1.708 0 40 IDAB C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N[C@@H]1CCS(=O)(=O)C1 10779708 BOOBIPRAYRPKDB-TZMCWYRMSA-N 426.589 1.977 0 40 IDAB COCCCN1C[C@H](C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)CC1=O 12327102 MJWZZMRZLDPQIJ-GOSISDBHSA-N 438.528 1.925 0 40 IDAB COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 12785703 NOFLPEQKJHXOFX-UHFFFAOYSA-N 446.525 1.932 0 40 IDAB Nn1c(SCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 13134635 CGDYONQSISLNGY-OAHLLOKOSA-N 447.542 1.560 0 40 IDAB COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)cc1OC 13371181 RUVONYWNWWMWGE-BBRMVZONSA-N 431.557 1.494 0 40 IDAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCN(C(=O)C2CC2)CC1 14190319 PJKJIRNRWPNXTN-UHFFFAOYSA-N 425.576 1.546 0 40 IDAB C[C@H](Sc1nnc(N)s1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 14254096 PXWAGOOCJCTIHF-JTQLQIEISA-N 429.549 1.261 0 40 IDAB COc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)c(OC)c3)C2=O)c1 16091154 VYMGZJPADOZGFO-QFIPXVFZSA-N 427.457 1.796 0 40 IDAB COc1cc(C(=O)N2CCC[C@@H](c3cc4nc(N(C)C)ncc4c(=O)[nH]3)C2)nc(OC)n1 19585664 GKIGKGPPDALYCG-GFCCVEGCSA-N 439.476 1.211 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CN3CCCC[C@@H]3C)C1)C2=O 19699748 GDJHDJXXQZMCPA-ZWKOTPCHSA-N 447.580 1.175 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1NC(C)=O 22960505 AYPVQDWORPTLED-UHFFFAOYSA-N 433.486 1.927 0 40 IDAB CCOc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 27914544 XYPHENFFVUBFAP-UHFFFAOYSA-N 446.529 1.559 0 40 IDAB Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1NS(C)(=O)=O 32760283 QLDUAIYYDDHEAX-UHFFFAOYSA-N 431.514 1.769 0 40 IDAB Cc1cc(C)n(-c2ccc(CCNC(=O)CCc3c(C)c4c(=O)[nH]n(C)c4[nH]c3=O)cc2)n1 48365278 FTINEIDGHDNMIK-UHFFFAOYSA-N 448.527 1.957 0 40 IDAB COc1cc(NC(=O)Cn2nc3c(N4CCC[C@@H](C)C4)nccn3c2=O)cc(OC)c1 49399837 IRMKSGDYNKUERL-CQSZACIVSA-N 426.477 1.783 0 40 IDAB O=C(NCCC(=O)N1CCCCCC1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 58157955 XAVIOKPLFDCQSK-GOSISDBHSA-N 437.562 1.666 0 40 IDAB CCOC(=O)[C@H](CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)Cc1ccccc1 60269961 NLRAQFXOUSQLMQ-INIZCTEOSA-N 431.514 1.577 0 40 IDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H]([C@@H]4Nc5ccccc5S(=O)(=O)N4)C3)cc2n1 72342525 PSVKMJASASWSEV-MGPUTAFESA-N 440.529 1.928 0 40 IDAB CC1(C)NC(=O)N(CCC(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3ccccc3)cc2)C1=O 72351386 KGMJJTBUPAVXPN-HXUWFJFHSA-N 448.523 1.944 0 40 IDAB Cc1cc(C(=O)Nc2ccc(-n3nnn(CC(=O)NCc4ccco4)c3=O)cc2)c(C)o1 77100280 AOKHVJWKTZXEDK-UHFFFAOYSA-N 436.428 1.801 0 40 IDAB COCCN(CCNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)C(=O)OC(C)(C)C 95453674 QJQLDNWSANFAIO-QGZVFWFLSA-N 438.447 1.560 0 40 IDAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)cc1 96124012 UGFXTBHUUXULMN-CQSZACIVSA-N 427.490 1.316 0 40 IDAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc(Br)n2Cc1ccccc1Cl 96306373 NSBJEUWONFMDEH-UHFFFAOYSA-N 427.642 1.446 0 40 IDAB O=C(NC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O)Nc1cccs1 225519579 OOJOMXJTNARUTO-TVJKQAJBSA-N 431.461 1.413 0 40 IDAB biogenic,in-vitro COCCNC(=O)c1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 225621509 DHEVZAZYDZIHAD-UHFFFAOYSA-N 433.530 1.772 0 40 IDAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccc(OC)c3)[C@H](N(C)CCO)[C@H]2O)c1 257277610 NYSNXYKVELLFOV-CZYKHXBRSA-N 430.501 1.307 0 40 IDAB CCOC(=O)COc1ccccc1/C=C1\SC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O 409214209 WWCFPPYPRDYLEW-HAKPAVFJSA-N 448.497 1.960 0 40 IDAB C[C@@H]1CCC[C@@]1(O)CNC(=O)CN(CC(=O)NC[C@@]1(O)CCC[C@H]1C)c1ccccc1 568128125 HQNXKJBRAIQZLP-XUFREYRYSA-N 431.577 1.828 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O 575613943 YSALOETZBIMINY-UHFFFAOYSA-N 429.495 1.622 0 40 IDAB Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 588930220 HOMZGVHKIYIVIN-UHFFFAOYSA-N 442.501 1.319 0 40 IDAB CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2049240996 OBNBHYQEYRONSE-VIYGXFRKSA-N 438.429 1.457 0 40 IDAB biogenic O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCN(C(=O)c2ccco2)CC1 1330640 VDCLWJNADDUDND-UHFFFAOYSA-N 432.440 1.160 0 40 IDAB COc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 3291640 IKFIKKURKVWQIY-UHFFFAOYSA-N 448.497 1.189 0 40 IDAB CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C 8706376 AUHOFGYPZWYIQD-UHFFFAOYSA-N 430.896 1.831 0 40 IDAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 9218617 VDQNPPUIUSARPH-DJJJIMSYSA-N 439.921 1.285 0 40 IDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 9223907 XMNKHBYAURRLHR-INIZCTEOSA-N 447.513 1.606 0 40 IDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 9462327 KLRWODOACYEKKV-GXSJLCMTSA-N 442.169 1.065 0 40 IDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 9882333 JCYOFCXWCMDGHB-QGZVFWFLSA-N 432.498 1.915 0 40 IDAB COc1ccccc1N1CCN(C(=O)Cn2ncn3nc(-c4ccccc4)cc3c2=O)CC1 11666359 IDEAOKYXQFPZRE-UHFFFAOYSA-N 444.495 1.915 0 40 IDAB CCN(CCc1ccncc1)S(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 11904931 XZYAOEQEYFTUDP-HNNXBMFYSA-N 437.543 1.647 0 40 IDAB Cc1nc(C)n([C@@H](C)CC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 12089434 KGGRBWSSDVLMEL-RBZFPXEDSA-N 432.550 1.815 0 40 IDAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)c1 12525871 PEMWJSSZPYXJRQ-UHFFFAOYSA-N 428.488 1.963 0 40 IDAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(Br)cc2F)n(C)c1=O 12603025 XXONWCMKYPBRGG-UHFFFAOYSA-N 438.257 1.754 0 40 IDAB CC(C)N(CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1)C(C)C 12909234 XECYDNJJEHNPLF-KRWDZBQOSA-N 445.607 1.001 0 40 IDAB Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)N(C)CCc1ccncc1 13691602 VGPTWVDBAIVLAP-OAHLLOKOSA-N 437.543 1.566 0 40 IDAB O=C(CN1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1)Nc1ccc(F)cc1 14249876 UOFAXXCSZZEVNH-UHFFFAOYSA-N 426.448 1.334 0 40 IDAB Cc1ccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 14274938 PBFDZKCTWOGPEG-SFHVURJKSA-N 446.529 1.754 0 40 IDAB O=C(c1cccs1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 17169958 BVQJUTLCDVSBOB-UHFFFAOYSA-N 431.539 1.730 0 40 IDAB Cc1ncsc1C(=O)N1CCO[C@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19696227 ARFIQYUWOSHXHP-ZDUSSCGKSA-N 432.527 1.997 0 40 IDAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(S(=O)(=O)N(C)C)C3)nc2C)c1 19757904 SEPWDGKVYCACCB-MRXNPFEDSA-N 433.534 1.319 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccc(F)cc1 20801327 UFCFSQHKQPUTPT-RBUKOAKNSA-N 425.464 1.749 0 40 IDAB NC(=O)c1c(NC(=O)CN2CCN(CCOc3ccccc3)CC2)sc2c1CCC2 22792067 WJNZKERSTDPLBB-UHFFFAOYSA-N 428.558 1.971 0 40 IDAB O=C(CN1CCN([C@@H](C(=O)N2CCOCC2)c2ccccc2)CC1)Nc1ccc(F)cc1 22800378 CHNKIYLCTFJPPQ-HSZRJFAPSA-N 440.519 1.982 0 40 IDAB CCCCNC(=O)CN1CCN(CC(=O)NCCc2ccc(OC(F)F)cc2)CC1 22845956 JSZSNJZDUAODPA-UHFFFAOYSA-N 426.508 1.481 0 40 IDAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3O)CC2)cc1 24772221 DCIQIVCSYHYEPI-UHFFFAOYSA-N 433.530 1.808 0 40 IDAB O=C(CN1CCN(S(=O)(=O)N2CCOCC2)CC1)Nc1ccc(Cl)c(Cl)c1 36351199 FFYJPQATCRNYQP-UHFFFAOYSA-N 437.349 1.127 0 40 IDAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F)C(=O)OC 36569346 YFZDEDFEWYXBAY-QAPCUYQASA-N 436.415 1.840 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)Nc3ccccc3)n2Cc2ccccc2)n(C)c1=O 57681213 KGNNKZNBNHXFTP-UHFFFAOYSA-N 447.499 1.716 0 40 IDAB CCCn1ncc(C(=O)N2CCC(c3c(S(C)(=O)=O)cnc4ncnn34)CC2)c1C 57730007 PQRVSYVJBKNDMU-UHFFFAOYSA-N 431.522 1.463 0 40 IDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2C(=O)N2CCCC2)C1=O 62587247 HXWNWIINZKJYNS-WZONZLPQSA-N 426.517 1.847 0 40 IDAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)Nc3cccs3)C2)CC1 72314069 HYKSTVPSDFUDIM-UHFFFAOYSA-N 430.552 1.847 0 40 IDAB COc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1[nH]c(C)c(S(N)(=O)=O)c1C 84007962 JOEDXJWCOQQKKU-UHFFFAOYSA-N 435.550 1.287 0 40 IDAB COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)NC[C@H](C)N1CCC(C)CC1 95441948 NZUGZUPAGPFVQQ-LBPRGKRZSA-N 448.383 1.955 0 40 IDAB Cc1cccc(N2C(=O)[C@H]3[C@@H](C(=O)NC4CC4)[C@H]4C=C[C@]3(O4)[C@H]2C(=O)NC2CCCC2)c1 100432025 URIUFZZOHPBRSB-QNFRPBLGSA-N 435.524 1.987 0 40 IDAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 534431187 FGYPILUVKUNBEO-UHFFFAOYSA-N 443.458 1.524 0 40 IDAB C=CC(=O)N1CCC(C(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)(c2ccccc2)CC1 1177118178 GNJSPYGLBLTFNP-LJQANCHMSA-N 426.513 1.771 0 40 IDAB CCOCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O 8708885 VYPMYNCBXAIOLJ-CQSZACIVSA-N 443.504 1.738 0 40 IDAB Cc1ccccc1N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)S(C)(=O)=O 8941906 PZDQVWDKHUHJDL-UHFFFAOYSA-N 429.420 1.933 0 40 IDAB Cc1ccccc1CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 9577302 WALLNAMVYAQAKG-LJQANCHMSA-N 449.504 1.304 0 40 IDAB CCOC(=O)CNC(=O)CSc1nnc(NC(=O)Nc2ccc(OC)cc2)s1 9743825 VETQWHNXJQKZEK-UHFFFAOYSA-N 425.492 1.962 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccc(OC)cc2)n2nnnc2N1 10232216 OXTFJFGWNSXXNG-KRWDZBQOSA-N 436.384 1.915 0 40 IDAB COc1cc2ncn(CCCC(=O)O[C@H](C(N)=O)c3ccccc3)c(=O)c2cc1OC 10915600 XMSODAXQCFVECE-FQEVSTJZSA-N 425.441 1.964 0 40 IDAB COc1cc(OC)cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 12686099 FCOYYXQLJYKPIH-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCCc1ccc(OC)cc1)c1ccc2c(c1)OCCO2 14398403 IOSJNOQOPAOWRF-UHFFFAOYSA-N 434.514 1.981 0 40 IDAB COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)NC(C)C 15270322 YVKYMTCJWVLNMS-UHFFFAOYSA-N 427.504 1.282 0 40 IDAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 15940500 DLUSVNMIAMFDMG-LLVKDONJSA-N 426.502 1.488 0 40 IDAB CCc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15968487 TYWOLZGGOZTIIF-SZAHKIGCSA-N 433.508 1.593 0 40 IDAB biogenic CCN(CC)CC(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(S(=O)(=O)CC)CC2 19526326 NXJUUOVRGIUWDN-KRWDZBQOSA-N 439.582 1.285 0 40 IDAB CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)C[C@H](C)n4nc(C)cc4C)C3)[nH]c2=O)C1 19572688 ZDQPUFXOMXVUQJ-DOTOQJQBSA-N 426.521 1.455 0 40 IDAB CC(=O)NCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1F)C(=O)C2 19744274 RNWUIVXQYKXEAH-IBGZPJMESA-N 439.491 1.856 0 40 IDAB COCCNC(=S)N(CCCN1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O 19822667 WIBBHXRWEIWLOK-UHFFFAOYSA-N 432.590 1.882 0 40 IDAB Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 20674119 JAXTVZGJABUQAE-GFCCVEGCSA-N 436.394 1.979 0 40 IDAB C[C@@H](NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O)c1ccccc1 22377904 GTUHQRWFLZHZCO-OAHLLOKOSA-N 439.559 1.580 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 23674511 JTLAVKMOYHCBFD-UHFFFAOYSA-N 439.578 1.325 0 40 IDAB O=C(NCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccco1 31051713 YRTKIFZZHXQORV-LLVKDONJSA-N 431.923 1.694 0 40 IDAB NC(=O)Cn1c(C2CC2)nnc1S(=O)(=O)CC(=O)NCc1ccc(Cl)cc1Cl 48354453 HKCHUOVPZOUJFW-UHFFFAOYSA-N 446.316 1.038 0 40 IDAB NC(=O)[C@@H]1CN(C(=O)c2cccn2-c2cccc(I)c2)CCO1 72050468 TUPIJWWRURGUMX-AWEZNQCLSA-N 425.226 1.408 0 40 IDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 84777500 RFGLOOSLUUIVFC-UHFFFAOYSA-N 427.442 1.773 0 40 IDAB O=C(O)COc1ccccc1[C@H]1c2sc(=O)[nH]c2SC[C@]1(CC(=O)O)C(=O)O 96318853 TUNMBHQMNWGIRW-SJCJKPOMSA-N 425.440 1.683 0 40 IDAB COC(=O)c1ccccc1N1C(=O)[C@H]2SC(N)=C3C(=O)Oc4ccccc4[C@H]3[C@@H]2C1=O 101374869 VDJYLKBQDGNOHS-ZOBUZTSGSA-N 436.445 1.951 0 40 IDAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3nnc(NC(=O)CC)s3)n2)cc1 224244564 XVYJHMNCQIWYLD-UHFFFAOYSA-N 438.491 1.814 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCC(C(N)=O)CC1 224677689 PTJWUWIMRLAWMS-UHFFFAOYSA-N 437.562 1.526 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(-c4ccc(C)cc4)on3)CC[C@@H]2O)CC1 257258476 KUDFMCAYKUQDRN-SFTDATJTSA-N 426.517 1.780 0 40 IDAB Cc1ccc(Br)c(S(=O)(=O)NCCNc2nc(C)nc(N(C)C)n2)c1 561408208 KTLZGRHKSWSLOU-UHFFFAOYSA-N 429.344 1.707 0 40 IDAB CN(C)C(=O)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1(F)CCOCC1)C2 2056226751 ZBBQXANIVIZGNI-QHCPKHFHSA-N 441.507 1.727 0 40 IDAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21 9000953 GQOXGGGEPBBYAR-UHFFFAOYSA-N 431.452 1.957 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nnc(-c3ccccc3)o2)cc1 9245801 FOFDYCIHVCUECL-UHFFFAOYSA-N 429.458 1.954 0 40 IDAB CCOC(=O)CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 9366884 RFUCFAVYGCZSTG-UHFFFAOYSA-N 430.533 1.696 0 40 IDAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(Br)cc4)c(C)cn23)n(C)c1=O 9487543 LPGGPOCLFCUVBQ-UHFFFAOYSA-N 430.262 1.799 0 40 IDAB O=C(CNS(=O)(=O)c1ccc(F)c(F)c1F)OCCN1C(=O)c2ccccc2C1=O 9634223 RGDUOEIHQPBCHU-UHFFFAOYSA-N 442.371 1.222 0 40 IDAB CC(=O)CN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C 10368148 IFJLQZBQOGQOAX-ZDUSSCGKSA-N 428.880 1.944 0 40 IDAB O=C(COC(=O)CNS(=O)(=O)c1ccc(F)c(F)c1F)NCCc1ccccc1 10901219 VXZQJLWKKLHXOQ-UHFFFAOYSA-N 430.404 1.284 0 40 IDAB CCN(CCc1ccncc1)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11859332 GPBUGDAWSULKMF-UHFFFAOYSA-N 437.543 1.710 0 40 IDAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029917 GUDVLUAJTNHNPU-MRXNPFEDSA-N 437.495 1.671 0 40 IDAB COc1ccc(CC(=O)N2CCC[C@@H]2Cn2nnn(-c3cccs3)c2=O)cc1OC 12084943 JVJQRANEYVSUGC-OAHLLOKOSA-N 429.502 1.741 0 40 IDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)N1CCC(n2nnc(-c3ccccc3)n2)CC1 12156033 YUQSIJDQJQIMGV-NFQUHZNNSA-N 434.500 1.535 0 40 IDAB CCOC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 12799679 PIYIHHQWDDMNTK-UHFFFAOYSA-N 427.498 1.527 0 40 IDAB CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(=O)O 12889968 VBFXAALSKCTOAO-XLIONFOSSA-N 438.484 1.991 0 40 IDAB biogenic O=C1NC(=S)NC(=O)C12[C@H](c1ccc(F)cc1)NC(=S)N[C@H]2c1ccc(F)cc1 13110829 UDWDDKIXDYGXST-KBPBESRZSA-N 432.477 1.742 0 40 IDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN(C)Cc2cc(Br)ccc2OC)C1=O 15444249 OWKSDWDMMOOEOU-QGZVFWFLSA-N 427.299 1.641 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)CC1 15905629 ITXKVGIWOFZDGB-MTXNFPGFSA-N 440.496 1.783 0 40 IDAB CC1(C)C=C(CC(=O)N2CCc3nc(N)c(C(=O)N4CCOCC4)cc3C2)CC(C)(C)N1 19701104 WGQVIWXJEAUSPK-UHFFFAOYSA-N 441.576 1.888 0 40 IDAB COc1ccc(S(=O)(=O)N2CCc3nc(N)c(C(=O)N4CCOCC4)cc3C2)cc1C 19701105 FSGSXPMWWRSACM-UHFFFAOYSA-N 446.529 1.200 0 40 IDAB CCN1C(=O)COc2ccc(C(=O)CS(=O)(=O)CC(=O)Nc3ccccc3OC)cc21 19951355 ZKLOYGTVDHNYAA-UHFFFAOYSA-N 446.481 1.677 0 40 IDAB CCOC(=O)N1CCN(C(=O)c2cc(OC)c(OC)cc2N(C)S(C)(=O)=O)CC1 22251373 SFSMZFWNTCOEEN-UHFFFAOYSA-N 429.495 1.014 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1F 30856528 HLGVFIUVFHFFBC-UHFFFAOYSA-N 435.481 1.268 0 40 IDAB CCOc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC 30857538 QVYBNIZFPRBKAI-QGZVFWFLSA-N 427.567 1.661 0 40 IDAB COCCn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952879 GBUWGNGQROFXEE-UHFFFAOYSA-N 432.912 1.045 0 40 IDAB CCOC(=O)C1CCN(CC2=C(C(=O)OC)[C@H](c3cccc(OC)c3)NC(=O)N2)CC1 67287806 QDDSTWUPBOBQLJ-IBGZPJMESA-N 431.489 1.751 0 40 IDAB CN(CC[C@@H]1CCCCN1C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 72305215 QSRGEJLNSSSVCS-SFHVURJKSA-N 440.585 1.465 0 40 IDAB O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCCN1CCCC1=O 72327688 ITQLPJYJLDPWKS-QFIPXVFZSA-N 447.919 1.795 0 40 IDAB CCOCCNC(=O)C[C@@]1(C(=O)NCCOCC)CCN(C(=O)OCc2ccccc2)C1 79095503 UCDIMGYCNKDSQK-QHCPKHFHSA-N 449.548 1.711 0 40 IDAB CN(C)C(=O)CN1[C@H]2CCN(C(=O)C3CCC3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145847 IQMWEVIZNCXSCO-IRXDYDNUSA-N 435.546 1.318 0 40 IDAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222912221 SYGQLJKJTQODBS-MRXNPFEDSA-N 443.525 1.427 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)NC[C@H]3CCCO3)CC1)O2 248327556 AEQDPZQDCBBPKE-SEPYTNNBSA-N 429.517 1.552 0 40 IDAB Cc1nc(C(=O)N2C[C@H]3c4nc(=O)c(C(=O)NCc5ccccc5)cn4C[C@H]3C2)cs1 306126474 DXAMEMMITVMVOA-JKSUJKDBSA-N 435.509 1.808 0 40 IDAB COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4nccs4)C2)C3)cc1 306130217 IZJBLFWIOQMTFR-NRFANRHFSA-N 425.514 1.367 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccccc1 408619433 HVEOWBQYCWJLGK-UHFFFAOYSA-N 447.557 1.647 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 408630041 MPIRRFGECZZEQH-UHFFFAOYSA-N 437.493 1.997 0 40 IDAB Cc1cc(C)n2nc(C)c(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)c2n1 522914992 LLNJVXWXVNIJSS-UHFFFAOYSA-N 435.550 1.358 0 40 IDAB O=C(O)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1 575421632 KGVRYLUVFRKLNF-GFCCVEGCSA-N 440.337 1.492 0 40 IDAB COCCN1C(=O)[C@H]2CN(C(=O)c3cn(C)c4ccccc34)CCN2C12CCOCC2 1772595263 HSQGOSZSXCLZNZ-HXUWFJFHSA-N 426.517 1.300 0 40 IDAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(S(=O)(=O)c4c(C)nn(C)c4C)CC3)n2)n1 1775969985 WAEJVRRSVITSBK-UHFFFAOYSA-N 445.549 1.422 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)c(=O)n(C)c1=O 3340877 ABADBTPPJQYVDT-UHFFFAOYSA-N 436.468 1.523 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)/C=C/c2cc(Br)ccc2F)c(=O)n(C)c1=O 8881323 BZZADIPNHAHTOH-ZZXKWVIFSA-N 440.225 1.007 0 40 IDAB CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O 9212385 PRQROPMIIGLWRP-OKZBNKHCSA-N 437.562 1.197 0 40 IDAB biogenic COCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)NC[C@H]1CCCO1 12137323 VQQXPSRIPIQSIZ-CQSZACIVSA-N 437.518 1.378 0 40 IDAB CCOC(=O)C[C@H](Nc1nc(NCCO)nc(N2CCOCC2)n1)c1ccc(C)cc1 12413185 BTDJFUJSTKOPQR-KRWDZBQOSA-N 430.509 1.527 0 40 IDAB O=C(c1ccco1)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 12938053 CXCAPBBHBCPOCM-IBGZPJMESA-N 445.541 1.806 0 40 IDAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccsc2C(=O)OC)c1=O 13992317 BMELWKLXDJZGPL-UHFFFAOYSA-N 431.470 1.687 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CS(=O)(=O)C3)CC2)c(C)c1 15192274 JNRPMEYGXZNOKE-QGZVFWFLSA-N 426.560 1.393 0 40 IDAB Cn1c(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)cc(=O)n(C)c1=O 19288691 FASZULGSOYWSDG-AWEZNQCLSA-N 427.486 1.263 0 40 IDAB C[C@@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 25107868 CONFLXINLNBOTG-CYBMUJFWSA-N 446.349 1.954 0 40 IDAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc2c(c1)OCCO2 32675705 MRUGFCCQFRHYNW-HXUWFJFHSA-N 443.525 1.880 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c2)CC1 34886174 HNBUQZBZZYNHPZ-UHFFFAOYSA-N 437.543 1.279 0 40 IDAB CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)[C@H]3COc4ccccc4O3)o2)cc1 35590063 QYCOBCWOTLVWLV-MRXNPFEDSA-N 430.442 1.765 0 40 IDAB CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 57729998 RGZAULLYPSIVFS-UHFFFAOYSA-N 443.485 1.319 0 40 IDAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccc(F)cc1)c(=O)n2CC(=O)N1CCC[C@@H](C)C1 72396459 JCOAADMYMCPVKN-GFCCVEGCSA-N 426.452 1.387 0 40 IDAB COC(=O)c1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96104447 VDGUKEKDBFTBAV-UHFFFAOYSA-N 429.903 1.973 0 40 IDAB O=C(NCCN1CCOCC1)c1ccc2nnc([C@H]3CCN(Cc4cccnc4)C3)n2c1 96267556 DNELMUOHLYGCQS-IBGZPJMESA-N 435.532 1.176 0 40 IDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 101395652 MKYIOBGSZDLCBX-IRXDYDNUSA-N 444.513 1.437 0 40 IDAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)s1 223990274 VCIVCBNUEGENMG-UHFFFAOYSA-N 432.505 1.571 0 40 IDAB CC(C)n1ccc(C(=O)N2CCN(C)[C@@H](C(=O)NCc3ccc4c(c3)CCCO4)C2)n1 257210668 BVQHCFNQCQMQBM-HXUWFJFHSA-N 425.533 1.862 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccccc2Br)cc1 408713314 SFPRRDQHZIFIHZ-UHFFFAOYSA-N 440.319 1.954 0 40 IDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3I)C(=O)[C@H]12 409284280 TWGHZIWJTQCOAP-XJIUQZFPSA-N 439.205 1.667 0 40 IDAB O=C(O)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 575425910 IVMZPAJJHDZTGC-NSHDSACASA-N 439.895 1.081 0 40 IDAB CCOC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@H]1N[C@H](C(=O)O)CS1 4769000 XLRLBFNBLXQLPR-QRFRQXIXSA-N 428.510 1.982 0 40 IDAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(N)=O 6190507 FNBLRADOWVNAIT-BRWVUGGUSA-N 440.585 1.933 0 40 IDAB NC(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3cccs3)s2)cc1 8770656 OXDNWXQFXOHCJL-UZYVYHOESA-N 443.510 1.308 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1nccs1 9047499 MATTXNMYQRXJLZ-GFCCVEGCSA-N 426.495 1.438 0 40 IDAB Cn1c(=O)c2c(nc(NCc3ccccc3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 9292932 FFLUCQHJFUWYLV-QGZVFWFLSA-N 435.484 1.486 0 40 IDAB CC(=O)N1CCN(C(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)CC1 9708309 PSXZGHFUCFXPEE-LJQANCHMSA-N 426.542 1.659 0 40 IDAB CCCn1c(=O)n(CC(=O)Nc2ccc(F)cc2F)c(=O)c2c1nc(C)n2CCOC 10883607 DCOSGTHNCMOOTE-UHFFFAOYSA-N 435.431 1.641 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2cnn(C)c2C)C[C@@H]1C(=O)N(C)C 12125375 XOUQWBZFHBKOPZ-XXBNENTESA-N 439.516 1.012 0 40 IDAB CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 13513658 KROXGCORYSHQFW-LSDHHAIUSA-N 431.580 1.252 0 40 IDAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 14014799 XTIXITURYVQEGY-JOCHJYFZSA-N 449.507 1.933 0 40 IDAB COC(=O)[C@@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 19460549 IZMMNXRTNWXGMV-KGYLXKDPSA-N 440.427 1.979 0 40 IDAB C[C@@H]1CN(C(=O)Cn2nc3c(cc2=O)CCc2nc(N4CCCCC4)ncc2-3)C[C@@H](C)O1 19497253 SABMGUMEGTXFCG-HZPDHXFCSA-N 438.532 1.425 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1OC 22246653 FEIAVZIHSUMZQG-LJQANCHMSA-N 447.557 1.367 0 40 IDAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1N1CCOCC1 27552407 XOTMDUIIMGZVSC-UHFFFAOYSA-N 432.471 1.988 0 40 IDAB COc1ccc(-n2c(C)nnc2SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 35336342 ZNRMQLGHFGLVDG-UHFFFAOYSA-N 444.561 1.099 0 40 IDAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 40002582 IERDFJXYBYYPDC-HNNXBMFYSA-N 437.500 1.772 0 40 IDAB COc1cccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@@H]32)c1 56998121 ACUQBVVMKBDJMN-ROUUACIJSA-N 430.482 1.438 0 40 IDAB CCOC(=O)Cn1nnnc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 57607011 RUECOLVBHFDDTB-SFHVURJKSA-N 440.504 1.567 0 40 IDAB NC(=O)c1nnn(-c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)n1 70999753 PYZWCSVBHWTKNW-UHFFFAOYSA-N 428.352 1.461 0 40 IDAB C[C@@H](CNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CCN(c2ccccc2)CC1 72294485 JQHJDEHVDMZRGK-GHTZIAJQSA-N 434.540 1.832 0 40 IDAB CCN1CCC[C@H]1CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccc(C)cc1N2 72327948 SJWMRANMENYLPN-YTZAWJCFSA-N 441.576 1.848 0 40 IDAB CNC(=O)CN1CC2(CCN(C(=O)NC(C)C)CC2)COc2ccccc2S1(=O)=O 96091315 ZPYZOUXHNGTZHE-UHFFFAOYSA-N 438.550 1.016 0 40 IDAB CCN1C(=O)C2(CCN(C(=O)N(C)C)CC2)CC12CCN(S(=O)(=O)C1CC1)CC2 96143716 GHOINLCMNDMXFP-UHFFFAOYSA-N 426.583 1.329 0 40 IDAB CC(C)CN1Cc2c(C(=O)N3CC[C@H](N(C)C)C3)ncn2-c2ccccc2S1(=O)=O 96147379 ZFFFVRDBTFJBHE-INIZCTEOSA-N 431.562 1.809 0 40 IDAB Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccccn5)CC4)c3CO2)cc1 97943620 PZSNOTYYPKUVCN-HXUWFJFHSA-N 432.484 1.851 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)cc1 100724618 DKDZIFHFMZASMF-RDTXWAMCSA-N 441.513 1.613 0 40 IDAB CN1C(=O)CO[C@H](C(=O)Nc2cccc(CS(=O)(=O)N(C)C)c2)[C@@H]1c1ccccc1F 223157933 ONKLTQKHTJLPEX-PMACEKPBSA-N 449.504 1.754 0 40 IDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O 252394296 FNBLRADOWVNAIT-ULQDDVLXSA-N 440.585 1.933 0 40 IDAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCN4CCOCC4)[C@H](O)[C@@]3(O)[C@@H]1C2 257258482 KUEYJKBPHLPBGL-MIULDMEKSA-N 432.517 1.046 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@H]2c2cccc(CNC(=O)CO)c2)cc1 257282078 OSGHYQRHDKZVJY-FCHUYYIVSA-N 425.529 1.308 0 40 IDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CCN(C(=O)Cc4ccccc4)C[C@@H]32)cc1 306129512 IFPZRCZWNHZABL-LEWJYISDSA-N 430.508 1.950 0 40 IDAB Cc1nc(CN2CC[C@@]3(CN(C(=O)c4ccnn4C)C[C@@H]3c3cn(C)cn3)C2=O)cs1 306138807 SHYBQIBLPFIMKM-IERDGZPVSA-N 439.545 1.577 0 40 IDAB COc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)c1 408615769 SAQGRPGTBVDZQN-CVEARBPZSA-N 441.484 1.563 0 40 IDAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)n1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1 599121062 FPWXRXDXPYXKHG-BEFAXECRSA-N 435.488 1.545 0 40 IDAB COc1ccc(CN2[C@@H]3CN(C(=O)Nc4cccnc4)C[C@@H]3OCCS2(=O)=O)cc1 1534645919 UCKYXFUTBAAUQK-MOPGFXCFSA-N 432.502 1.537 0 40 IDAB CC(=O)N1CCN(Cc2ccncc2)CC=CCOC[C@H](O)[C@H](O)[C@@H](OCCC(C)C)C1 1615162442 XQCSJAAEQAXCBO-HJOGWXRNSA-N 449.592 1.472 0 40 IDAB Cc1cc(N2C[C@H]3CN(S(=O)(=O)c4ccc(N5C(=O)CCC5=O)cc4)C[C@H]3C2)ncn1 1775976167 VICKEPMHXUJAAS-IYBDPMFKSA-N 441.513 1.195 0 40 IDAB NC(=O)c1ccc(-c2nnn(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)n2)cc1 8848246 NSHGAZQSJMGHSS-UHFFFAOYSA-N 433.472 1.750 0 40 IDAB NC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NCCCc1ccccc1 9244917 JYKHCNBFZGWLDD-GOSISDBHSA-N 445.903 1.606 0 40 IDAB Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 9549115 NMEKICRZIBVQMF-UHFFFAOYSA-N 446.467 1.633 0 40 IDAB CCCn1c(N)c(C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(=O)n(C)c1=O 9579246 TUSXYNHSTHHDOU-INIZCTEOSA-N 442.516 1.720 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cccnc1 9715268 NSDBIQJWISMAOR-GOSISDBHSA-N 448.520 1.587 0 40 IDAB CN(C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O)[C@H]1CCS(=O)(=O)C1 9794960 VJANDOXKNSOQCY-YCRPNKLZSA-N 429.498 1.252 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCCc2ccccc2)cc1 9806786 IWOLCQNVANOYHF-SFHVURJKSA-N 445.541 1.323 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 9883663 HNQJGTIUOMEYCP-UONOGXRCSA-N 447.513 1.960 0 40 IDAB NC(=O)c1ccc(NC(=O)Cn2cc(OCc3ccccc3F)c(=O)cc2CO)cc1 12230999 MJGNDXCRSXIAJJ-UHFFFAOYSA-N 425.416 1.796 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCCCC2)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12276811 OWYAEWFXBSPNRA-UHFFFAOYSA-N 426.452 1.530 0 40 IDAB CN(C)CCCSc1nnc2c3c(=O)n(C)c(=O)n(C)c3nc(-c3ccccc3)n12 12406704 HDYXQIGXBBOCMS-UHFFFAOYSA-N 425.518 1.386 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C/c1ccco1 12533539 QUOQUQNRQXVKMW-FNORWQNLSA-N 434.470 1.804 0 40 IDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 13041639 LWHPIRTWSWDDLQ-CYBMUJFWSA-N 444.531 1.818 0 40 IDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 13055737 BQLWZFVKMKWVPD-OAQYLSRUSA-N 444.513 1.651 0 40 IDAB CN(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2c(=O)[nH]1 13126485 FKEITBJXMHXUPD-MRXNPFEDSA-N 432.546 1.313 0 40 IDAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 15701328 NHVFQIPCJDTJMH-GOSISDBHSA-N 429.546 1.442 0 40 IDAB Cc1ccc2nc(C)c(Cc3nnc(SCC(=O)NC[C@@H]4CCCO4)n3C)c(=O)n2c1 15859197 IAHPPZBPFDHCLH-HNNXBMFYSA-N 442.545 1.418 0 40 IDAB CSCC[C@H](C(=O)OCC(=O)NC(=O)NCC(C)C)N1C(=O)c2ccccc2C1=O 20979656 HHBSDTWRYIHRJF-OAHLLOKOSA-N 435.502 1.429 0 40 IDAB COCCn1c(N)c(C(=O)CN(C)Cc2ccccc2N2CCCCC2)c(=O)[nH]c1=O 29119612 MCEVTAFISYSCOQ-UHFFFAOYSA-N 429.521 1.070 0 40 IDAB CCOC(=O)C1=C(CN2C(=O)C(=O)N(C(C)C)C2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 31673248 CUTYETFJKCOEMK-MRXNPFEDSA-N 444.444 1.066 0 40 IDAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O 32724176 RPNMSPHHVXUURV-OAQYLSRUSA-N 437.412 1.077 0 40 IDAB COc1cccc(C[C@H](C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)n2nnnc2C)c1 40120298 MVLCTDLGDCHDFZ-LEWJYISDSA-N 428.537 1.487 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2cccc(C)c2)cc1 55408413 VEKVODPGBMFTJY-PMACEKPBSA-N 436.555 1.683 0 40 IDAB O=S(=O)(c1cccnc1)N1CCN(S(=O)(=O)c2cccnc2)C2(CCCCC2)C1 72313133 LOKKYXPNJHSICX-UHFFFAOYSA-N 436.559 1.875 0 40 IDAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)C2 90609662 JFWMRANYSQARLC-AWEZNQCLSA-N 430.530 1.840 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)n1 96124082 HGILLWYXYCMGGN-CYBMUJFWSA-N 442.505 1.475 0 40 IDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 96224167 UEGUDOLBBKVSAQ-SFHVURJKSA-N 442.497 1.676 0 40 IDAB C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1 102143743 GAWIBCKBLZQJIL-MLVIZHJXSA-N 431.562 1.657 0 40 IDAB CC1(C)OC(=O)C(=C2[C@H]3[C@H]4C[C@H]5[C@H]3[C@@H](C3C(=O)OC(C)(C)OC3=O)[C@H]3[C@H]2[C@@H]4[C@H]35)C(=O)O1 104206669 PHADMZAJWXLMAT-LNIQMSDFSA-N 428.437 1.575 0 40 IDAB Cc1ncn(CC(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)[nH]n3)CC2)c(=O)c1C 225564386 PGQHLJPKNIRPKH-UHFFFAOYSA-N 440.426 1.282 0 40 IDAB O=C(N[C@H](Cn1nccn1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 253472756 PGNHJHSFWKOYOG-HXUWFJFHSA-N 441.513 1.470 0 40 IDAB COCCCNC(=O)CSC(Nc1ccc(C)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 409375508 LTANGYBQEMDSEX-UHFFFAOYSA-N 434.518 1.555 0 40 IDAB CS(=O)(=O)c1ccc(CCC(=O)NCC2(N3CCOCC3)CCSCC2)cc1 1888856618 KVCWUYGZXKZERF-UHFFFAOYSA-N 426.604 1.737 0 40 IDAB Cc1cc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCC(C)C)ccc1F 3027820 LEIQXUJZMHINHX-QGZVFWFLSA-N 429.514 1.150 0 40 IDAB CN(C)c1cccc(Oc2nnnn2[C@H]2CO[C@@H]3[C@@H](NC(=O)c4ccccc4)CO[C@H]23)c1 3842021 CADKNAWNZWCULU-VNTMZGSJSA-N 436.472 1.669 0 40 IDAB biogenic,in-vitro CCc1c(C(=O)OC)c2cc(NS(=O)(=O)CC)c(OC)cc2n1S(=O)(=O)CC 6142919 PQRVPGDBQMYXSC-UHFFFAOYSA-N 432.520 1.958 0 40 IDAB COCCNC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1nccs1 6550846 OFHLRXBVVLGROQ-UHFFFAOYSA-N 448.501 1.382 0 40 IDAB CCCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)[C@@H]1CCS(=O)(=O)C1 8862329 HUTDDEPKNBAZSV-CYBMUJFWSA-N 439.515 1.983 0 40 IDAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)NC1CCCC1 9128177 GCIIACRNQDNHED-CYBMUJFWSA-N 428.482 1.451 0 40 IDAB COCCN(C(=O)Cc1c(F)cccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9506801 WWBOPRKDXAWYKE-UHFFFAOYSA-N 426.876 1.789 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2cccc(OC)c2)n2nnnc2N1 10232217 MLFOKXXOCFGMFV-QGZVFWFLSA-N 436.384 1.915 0 40 IDAB COc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1Br 10806873 LZLXFFMQXQLHTM-UHFFFAOYSA-N 441.669 1.741 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)O 11865613 PQYGHQYPHFLCAW-NIVTXAMTSA-N 438.864 1.735 0 40 IDAB biogenic COCCNC(=O)CSc1nc(-c2cccc(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C 12140403 SYIAWXPAPIRKIH-UHFFFAOYSA-N 449.920 1.202 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)Cc2cccc3ccccc23)C1=O 12814901 JVEJWEMSHKCPSH-XMMPIXPASA-N 430.464 1.997 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)ccc1Cl 13010931 SBQWNJRGOLAJIE-MRVPVSSYSA-N 445.906 1.593 0 40 IDAB CNC(=O)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)C2CC2)cc1 13012768 LHWATLBUGSWFGB-UHFFFAOYSA-N 445.541 1.776 0 40 IDAB CCn1nnc2c(N3CCN(C(=O)[C@H]4CC(=O)N(c5ccc(F)cc5)C4)CC3)ncnc21 13533516 ZTFMVOFIDZOZHN-AWEZNQCLSA-N 438.467 1.082 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)c1 13566068 XCFOBRRIACEQTI-HNNXBMFYSA-N 447.513 1.842 0 40 IDAB CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 14245354 OWVQKMVFEFZTPO-UHFFFAOYSA-N 426.535 1.790 0 40 IDAB O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)NC(N2CCN(c3ccccn3)CC2)=N1 14607059 RAQLDKGTNQFMQC-INIZCTEOSA-N 430.871 1.879 0 40 IDAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 15099793 HKTZCPCVTGUUIS-UHFFFAOYSA-N 429.420 1.825 0 40 IDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2O)CC1 15378484 QFENWEPJEWEKJN-HXUWFJFHSA-N 436.512 1.896 0 40 IDAB COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2NCCc2cccs2)cc1C 15885410 POMJDNSJDWHSKX-FUHWJXTLSA-N 429.585 1.837 0 40 IDAB Cc1nc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)ncc1C(=O)NCc1ccc(F)cc1 19751941 NPFBZTUSVGIBAD-INIZCTEOSA-N 435.525 1.840 0 40 IDAB Cc1ccc2cc(CN(CCO)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1C 19823397 NQEXCMXIZDNWQT-UHFFFAOYSA-N 432.590 1.536 0 40 IDAB COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 20020607 RGZWAEYYADSIEE-INIZCTEOSA-N 434.514 1.972 0 40 IDAB CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2cnccn2)CC1 23228886 YWESPAMKZLKFAD-UHFFFAOYSA-N 446.577 1.901 0 40 IDAB CCS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3ccccc3OC)CC2)Oc2ccccc21 26112467 YLISTGURKAUQMJ-OAQYLSRUSA-N 445.541 1.961 0 40 IDAB Cc1ccc2c(c1)N(CC(=O)N(CCN1CCOCC1)Cc1ccncc1)C(=O)[C@H](C)O2 35315186 VBXSQWXJCXFEMU-IBGZPJMESA-N 438.528 1.865 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)NCc2cccs2)CC1 56908038 TVKGZGQQRGJNTR-MRXNPFEDSA-N 437.591 1.953 0 40 IDAB CC(C)CCn1c(N2CCN(Cc3ccc(F)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952505 OESWPDSBOKSVPV-UHFFFAOYSA-N 428.512 1.931 0 40 IDAB COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)CC1=O 71890997 QVFYHMPVXRZPOJ-XJKSGUPXSA-N 438.484 1.338 0 40 IDAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC[C@@H](CO)Cc1ccc(F)cc1 78994319 JGSYPWHBHZOAAS-INIZCTEOSA-N 427.480 1.484 0 40 IDAB COc1ccc(CCNc2ccc(S(=O)(=O)NCCCO)cc2C(=O)O)cc1OC 217594326 SEVJPACNIWQMDG-UHFFFAOYSA-N 438.502 1.717 0 40 IDAB NC(=O)C1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)CC1 223121232 VZRYDHSSEYHUQG-UHFFFAOYSA-N 429.911 1.330 0 40 IDAB CCn1cccc1-c1noc(CNC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)n1 225768714 JWBIJYCSDFISPQ-GFCCVEGCSA-N 426.502 1.957 0 40 IDAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N1CCC(C(N)=O)CC1)NC2=O 247984383 YNNMRPAXTRVSRH-QEHAJPSTSA-N 427.501 1.674 0 40 IDAB O=C(NCc1ccccc1)C1=NO[C@]2(COCC[C@@H]2NS(=O)(=O)c2ccccc2)C1 306134625 NTSSIJDFDMENCT-FPOVZHCZSA-N 429.498 1.585 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408652377 CKQFDTQWATVDAB-GTZSGAPKSA-N 440.452 1.541 0 40 IDAB NC(=O)[C@@H]1c2ccccc2CCN1CC1(CN2CCc3ccccc3[C@@H]2C(N)=O)COC1 679854555 YZMPOWHUMICTNC-SZPZYZBQSA-N 434.540 1.172 0 40 IDAB CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CO1 1153326771 PDYBHGDQSGHXHH-VAMGGRTRSA-N 439.597 1.426 0 40 IDAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363813 AEKSKORHTCIBQP-AWEZNQCLSA-N 430.465 1.841 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 3355156 NHDYICHERHHVOE-INIZCTEOSA-N 435.933 1.695 0 40 IDAB CCOc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 4165798 CDOUDMYUZXCHEP-UHFFFAOYSA-N 433.486 1.170 0 40 IDAB O=C(NCc1cccs1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 8830354 SCQMADNEAMOKTQ-INIZCTEOSA-N 441.506 1.057 0 40 IDAB CCOC(=O)N1CCN(C(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)CC1 9510192 FFZMMIRCWKONEU-UHFFFAOYSA-N 444.879 1.536 0 40 IDAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 9575925 GTHNDINPBPBMPP-UHFFFAOYSA-N 435.473 1.774 0 40 IDAB CC[C@H](OC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)cc1)C(=O)c1ccccc1 10039645 CZZDZHIROJCJHV-SFHVURJKSA-N 432.498 1.594 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@H](c2ccc(O)c(OC)c2)n2nnnc2N1 10232314 NCPWRLKGGAMNRL-SFHVURJKSA-N 437.412 1.721 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1 10666837 UKSNQIAZLRTSHF-UHFFFAOYSA-N 440.566 1.409 0 40 IDAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1)c1ccc(F)cc1 12784981 CZDQNBJMUJJLMA-ZDUSSCGKSA-N 436.509 1.541 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccccc3)CC2)cc1 12817907 QXZNZUCGTKZEGH-UHFFFAOYSA-N 430.530 1.327 0 40 IDAB COc1ccccc1-c1noc(CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)n1 12921075 DSTLNCMFYGHDLX-OAQYLSRUSA-N 446.427 1.688 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1C(N)=O 12928387 QDOIIYQSOUROOS-UHFFFAOYSA-N 445.328 1.578 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1 13848533 MVXIVUFZQLBQIF-UHFFFAOYSA-N 428.518 1.911 0 40 IDAB O=C(O)c1ccc2c(c1)C(=O)N(CCCCN1C(=O)c3ccc(C(=O)O)cc3C1=O)C2=O 13955204 CMUGQDJSZSNVAE-UHFFFAOYSA-N 436.376 1.755 0 40 IDAB Cc1nn(Cc2noc(C(=O)NCCNC(=O)c3ccco3)n2)c(C)c1Br 15082239 MDTAKCVRHXZAAK-UHFFFAOYSA-N 437.254 1.447 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2ccncc2C)C[C@@H]1C(=O)N(C)C 19239401 YQYZPIVHYDZKJO-YKSBVNFPSA-N 436.512 1.674 0 40 IDAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2cnn(C)c2)CCO1 19703180 LRDVJCNEOSASDN-OAHLLOKOSA-N 429.502 1.620 0 40 IDAB COc1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1S(=O)(=O)N1CCCCC1 21821947 VIPVBFKZUJOIAE-HZPDHXFCSA-N 425.551 1.918 0 40 IDAB COc1ccc(S(=O)(=O)NCCN2CCN(C)CC2)cc1C(=O)N1CCCCCC1 22830059 RFJQFNJIGFIXKR-UHFFFAOYSA-N 438.594 1.237 0 40 IDAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)OCC(=O)N1CCNC1=O 24917905 ZLKDVQGINQWISJ-UHFFFAOYSA-N 435.433 1.264 0 40 IDAB C[C@@H](Sc1nc(NC2CC2)c2ccccc2n1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 31784661 OQJSAYDMCVQNOV-SNVBAGLBSA-N 426.502 1.547 0 40 IDAB Cc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCC3)N(C3CC3)C(=O)[C@H]24)no1 35289997 RDQVWFSCWYQCKD-ZEENSLDLSA-N 426.473 1.293 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 35344114 GBCGDLPEDOWHPQ-UHFFFAOYSA-N 449.533 1.045 0 40 IDAB O=c1c(-c2ccc(Cl)cc2)coc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12 35878030 PIIJBWCFNYXGGN-KTIPNOMGSA-N 434.828 1.292 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(CC)S(=O)(=O)c2cc(F)ccc2OC)CC1 39986362 DTVCMPRSVHRHRY-UHFFFAOYSA-N 431.486 1.146 0 40 IDAB NC(=O)C1CCN(c2nc3ncc4c(c3c(=O)[nH]2)C[C@@H](c2ccccc2O)CC4=O)CC1 40372915 SKCUNGGUTNZIFB-CYBMUJFWSA-N 433.468 1.638 0 40 IDAB COC(=O)C1=C(C)NC(=O)[C@]1(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 100151716 JIOCDSRYXPKRKA-KRWDZBQOSA-N 432.351 1.320 0 40 IDAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223662001 IJPWHRUUSXYNHP-INIZCTEOSA-N 443.525 1.693 0 40 IDAB CN([C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccc1)S(C)(=O)=O 224754362 CLCGZPKGQFEKDP-OAQYLSRUSA-N 431.558 1.768 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)s1 225301855 BHURKBFQTGWYKK-UHFFFAOYSA-N 425.536 1.197 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 252507361 WJDUUFFPBLHRKK-UHFFFAOYSA-N 444.554 1.402 0 40 IDAB CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)CCn2nc(C)cc2C)CC1 585294255 UBIBROQPEBKLGN-UHFFFAOYSA-N 434.537 1.311 0 40 IDAB CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)C1 8775076 CDTJDXNIAPKPFV-KRWDZBQOSA-N 439.516 1.570 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccncc1 8993298 CGEYYPYHFSQQBJ-AWEZNQCLSA-N 436.921 1.891 0 40 IDAB CN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 9739444 VNCAPHFFVQHRRL-UHFFFAOYSA-N 436.559 1.506 0 40 IDAB COc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 9806127 RDXIKIDMHWMOBK-QGZVFWFLSA-N 431.514 1.912 0 40 IDAB CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1nccs1 11326683 FHIVIYXNNOXPNR-GMMCIKNFSA-N 429.545 1.475 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 12140187 GDWQBVABKVAMPO-IBGZPJMESA-N 449.504 1.304 0 40 IDAB CCOc1ccc([C@H](C)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OCC 12729643 GQGMOWMWNPBLFE-ZDUSSCGKSA-N 429.477 1.109 0 40 IDAB CC(C)(C)NC(=O)CN1CCCN(C(=O)CNC(=O)Cc2cccc3ccccc23)CC1 12883313 OWHPEQJQCSJIHS-UHFFFAOYSA-N 438.572 1.948 0 40 IDAB Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cn1 12988514 YVEKKIXLIFTHNK-AATRIKPKSA-N 428.436 1.985 0 40 IDAB O=C(NCc1ccco1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 13086404 SKGHTRDZGAYRJY-UHFFFAOYSA-N 433.530 1.833 0 40 IDAB O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 13098998 FIYCPBZEOOWFGT-UHFFFAOYSA-N 431.514 1.665 0 40 IDAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CCc2ccccc2C1 13567092 UEKNCLHTELSKNC-UHFFFAOYSA-N 430.526 1.980 0 40 IDAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCC(NS(C)(=O)=O)CC1 14246274 OWSQEZPOCFCQES-UHFFFAOYSA-N 425.942 1.693 0 40 IDAB Cc1cc(NC(=O)C[S@@](=O)CC(=O)Nc2c(C)cccc2C)ccc1-n1cnnn1 15935836 HNNWFVIRECQWLC-PMERELPUSA-N 426.502 1.913 0 40 IDAB Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 19077935 VQQRQJLWIQUGDF-UHFFFAOYSA-N 432.527 1.912 0 40 IDAB Cn1cc(-c2ccc([C@@H]3CCCN3C(=O)CCC(=O)N3CCNC(=O)C3(C)C)nc2)cn1 19688864 LDKCGXCOIGYRPX-IBGZPJMESA-N 438.532 1.663 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1ccc([C@H]2CN(C)C[C@@H]2C(N)=O)cc1 19698774 LQJBEQLAXVABNJ-MSOLQXFVSA-N 435.521 1.786 0 40 IDAB Cc1ccc2cc(CN(CCCO)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1C 19823400 QVWVEALHBBEEAG-UHFFFAOYSA-N 446.617 1.926 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 23818078 FAKKZYZJFLIUCC-HSZRJFAPSA-N 438.484 1.908 0 40 IDAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)N(C)[C@H](C)c1ccccc1 32557340 MRQMCGAEHOAQDK-OAHLLOKOSA-N 444.484 1.863 0 40 IDAB CCOC(=O)C1=C(CN2CCC(C(=O)NCCOC)CC2)NC(=O)N[C@@H]1c1ccc(C)o1 32754856 OWFOEFAAPLAFPG-LJQANCHMSA-N 448.520 1.234 0 40 IDAB COC(=O)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 36329878 VMWFJFBOUIJDBP-UHFFFAOYSA-N 445.541 1.237 0 40 IDAB COc1ccc(-c2noc(COC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)n2)c(OC)c1 48331894 DQFOMKGXYKGUIS-UHFFFAOYSA-N 446.441 1.295 0 40 IDAB COC(=O)CCN(CC(F)(F)F)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 58203131 LPDPCFOKGHNMHV-UHFFFAOYSA-N 427.379 1.890 0 40 IDAB O=C(CC[C@H]1NC(=O)NC1=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 58298016 PFTVSYYEWFERJI-ZIAGYGMSSA-N 426.395 1.473 0 40 IDAB CCc1ccc(OCCS(=O)(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)cc1 70637885 UOMKLJVRINFQSM-UHFFFAOYSA-N 433.530 1.936 0 40 IDAB COC(=O)CC1CCN(C(=O)[C@H]2CCCN(C(=O)CNC(=O)c3ccccc3)C2)CC1 72405938 SNTDEPJHKKSFMX-IBGZPJMESA-N 429.517 1.457 0 40 IDAB COc1cccc(CCN2C[C@@]34CN(c5ncc(C)cn5)C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 96264041 YHCMGNMWOZHPIH-DYXWJJEUSA-N 430.530 1.398 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2ccccc2)c2sc(=O)[nH]c2S[C@@H]31 100531340 GBYMFODZINXBOP-GSEIQGMRSA-N 442.518 1.994 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 408615978 DNLPWUKDDDOSSA-UHFFFAOYSA-N 449.529 1.866 0 40 IDAB CC(C)(C)n1[nH]cnc1=NC(=O)Cc1ccc(CC(=O)N=c2nc[nH]n2C(C)(C)C)cc1 549419661 NKAVNVCYAKPHAM-UHFFFAOYSA-N 438.536 1.586 0 40 IDAB Cc1ccc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2NC(=O)C(Cl)(Cl)Cl)cc1 575419906 AKUNEWOUAKRQOH-WDEREUQCSA-N 444.793 1.933 0 40 IDAB Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCCC2)c1 6530844 FLSHTPVQLYYEMJ-UHFFFAOYSA-N 440.529 1.648 0 40 IDAB COC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 8740210 ADMJLYBDWQKZEB-IAGOWNOFSA-N 447.488 1.134 0 40 IDAB biogenic O=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 9053106 SZXFXSAWSXFYHX-UHFFFAOYSA-N 440.319 1.144 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O 10803061 STCIDULBCFWLEJ-OAQYLSRUSA-N 442.497 1.511 0 40 IDAB Cc1ccc(CNC(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 12755911 CLCSFHBFIZEBAT-UHFFFAOYSA-N 430.530 1.327 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](CO)C(C)C 12881785 GOIWTMSFBJMTAQ-QKWCYAJMSA-N 433.574 1.920 0 40 IDAB biogenic COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(OC(F)F)cc1 12981922 JMRMOIIMZKIGOT-WFASDCNBSA-N 430.429 1.988 0 40 IDAB NS(=O)(=O)c1ccc(CCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 13017271 SOPVIWHZUDPPOH-UHFFFAOYSA-N 435.933 1.905 0 40 IDAB CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(N3CCCC3=O)cc2)c(=O)[nH]c1=O 14624302 LVBXEQDYPIJAKR-UHFFFAOYSA-N 443.504 1.339 0 40 IDAB CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccc1OC 16681781 OLKQPDGFPHNXBH-UHFFFAOYSA-N 433.530 1.964 0 40 IDAB CC(C)c1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 19451685 PBENXSFTLIVZQR-QGZVFWFLSA-N 445.545 1.674 0 40 IDAB Cc1nc(C)c(S(=O)(=O)NCCc2cc(N3CCN(C)CC3)nc(C3CC3)n2)s1 19560598 AZOWDNQCUDJMGT-UHFFFAOYSA-N 436.607 1.700 0 40 IDAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2n[nH]c(=O)[nH]2)CCO1 19580696 LWEUCTRCXXPWEH-QHCPKHFHSA-N 435.484 1.307 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 20567851 ZNPLZMPYXCSNBH-UHFFFAOYSA-N 434.518 1.314 0 40 IDAB CCOC(=O)C1=C(CSc2nnc(CCC(N)=O)n2CC(C)C)NC(=O)N[C@@H]1CC 23329657 RYFOJQQTEDSYID-GFCCVEGCSA-N 438.554 1.353 0 40 IDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)C1 29741164 LRPYFJKYLVKVHC-AWEZNQCLSA-N 428.507 1.903 0 40 IDAB COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(Cl)ccc1F)C(=O)OC 31808680 OWIXSENYGDBBLU-YOEHRIQHSA-N 438.843 1.964 0 40 IDAB CN(CCOc1ccccc1)CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 32753338 DNONBAVDDYYTET-UHFFFAOYSA-N 434.562 1.952 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cn(-c4ccccc4)nn3)cc2)CC1 40073824 FONNADXCQOLHAB-UHFFFAOYSA-N 426.502 1.456 0 40 IDAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 70635572 JGZIXVCLBYSVFN-UHFFFAOYSA-N 437.456 1.872 0 40 IDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21)Nc1cccc(F)c1 95481499 QBYBDDBHNXSDPH-MSOLQXFVSA-N 425.376 1.529 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3nc(NCCO)c4ccccc4n3)CC2)cc1 95947957 FWBUKZGSAMIWLR-UHFFFAOYSA-N 443.529 1.554 0 40 IDAB COc1ccc(C(=O)NC[C@@]2(COc3ccc(S(C)(=O)=O)cc3)C[C@H](O)[C@H](O)C2)cc1 107283813 BLBXYBNSGFXNSH-XVAYZXCPSA-N 449.525 1.410 0 40 IDAB biogenic,in-vitro COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 216598142 LDYIHPBPQXJLCA-FDGPYGQJSA-N 433.464 1.281 0 40 IDAB O=C(c1ccc(OCCN2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccc(O)nc2=O)CC1 257233720 GQKYVTMFDPHDSA-PMACEKPBSA-N 442.516 1.262 0 40 IDAB COc1cc(CNC[C@@]2(O)CCN(c3ccccn3)C2)ccc1OCCN1CCOCC1 585274175 UFZXAWXIXYCKNE-DEOSSOPVSA-N 442.560 1.532 0 40 IDAB CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 685080964 CVFXDJUMRVPSEP-CQSZACIVSA-N 437.566 1.173 0 40 IDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3c(C)noc3C)C2)n(-c2cccnc2)n1 2332241440 LOOFEEYAHCBNOA-USXIJHARSA-N 426.477 1.841 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C1 2469224 CZESLENUPQZSKM-OAHLLOKOSA-N 434.518 1.534 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)NCC(F)(F)F 3365175 PYMLWDXQQRMAHO-PBKGFPTLSA-N 443.831 1.439 0 40 IDAB Cc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4-c4ccc(N(C)C)cc4)CO[C@H]23)cc1 3842003 WKCVHQABIQWDJR-UWHLTILDSA-N 434.500 1.852 0 40 IDAB biogenic,in-vitro Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 9403743 RANHLAQRSRDHRI-UHFFFAOYSA-N 430.486 1.777 0 40 IDAB COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1OC 9424447 RFVRVAPRXUABPU-WQRHYEAKSA-N 425.441 1.806 0 40 IDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCN(C(=O)c2cccs2)CC1 9534490 DBKBFDOXYJBETN-UHFFFAOYSA-N 438.509 1.104 0 40 IDAB Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)c(C)cc1Cl 9644398 SKRRVSPYGLAHOP-VHDGCEQUSA-N 430.910 1.156 0 40 IDAB C[C@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)N1CCNC1=O 9949514 ARMCDLGCZBYRPV-ZDUSSCGKSA-N 446.485 1.611 0 40 IDAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1c(C)cc(C)[nH]c1=O 10228510 RNEXEXCQZZVEEE-KRWDZBQOSA-N 430.530 1.905 0 40 IDAB COc1cn(CC(=O)Nc2ccc(C(N)=O)cc2)c(CSc2nccc(C)n2)cc1=O 10254992 LIOFEYXLSLSLGB-UHFFFAOYSA-N 439.497 1.985 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1=O 13120981 KIHIHQLKKXEFOM-UWJYYQICSA-N 433.530 1.412 0 40 IDAB CCOC(=O)c1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc(C(=O)OCC)c1 14109862 UAVRMEXDJUOQMZ-UHFFFAOYSA-N 426.491 1.650 0 40 IDAB C[C@H](OC(=O)c1c(Cl)nc2sccn12)C(=O)Nc1cccc(S(N)(=O)=O)c1 15513913 ZLOVVMIRRSXSRD-QMMMGPOBSA-N 428.879 1.881 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16022126 PYQOJUKCUHSMAI-YWNPBTLJSA-N 439.443 1.141 0 40 IDAB O=C(c1cc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)no1)N1CCC[C@H](O)C1 19331051 DFCMYAIPZQFVOF-INIZCTEOSA-N 437.493 1.979 0 40 IDAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)C2CCN(C(C)=O)CC2)CCO1 19702912 XEVKPQPBXRIESZ-MRXNPFEDSA-N 430.530 1.814 0 40 IDAB Cc1nn(C)cc1CN1CCO[C@@H](c2c(C(=O)N(C)CCO)sc3ncccc23)C1 19702989 JJFWOLHPWXJPOL-QGZVFWFLSA-N 429.546 1.976 0 40 IDAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccc(OC)cc1 20530930 JTGOVKPKNVDZJA-IBGZPJMESA-N 431.489 1.705 0 40 IDAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cnn1-c1ccc(O)nn1 29519873 MSRSIQKJKCNFTL-UHFFFAOYSA-N 428.474 1.713 0 40 IDAB O=S1(=O)CC[C@@H](S(=O)(=O)c2cccc(S(=O)(=O)NCCc3ccccc3)c2)C1 31772810 SBSJKOWVVUZRMR-GOSISDBHSA-N 443.568 1.168 0 40 IDAB COc1cc(CCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)ccc1OC(F)F 32905412 UDFVXBNTHRESCT-UHFFFAOYSA-N 434.399 1.215 0 40 IDAB COc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 35311221 AZEDTEXNIKJYFQ-PMERELPUSA-N 431.514 1.858 0 40 IDAB O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H](c5ccco5)c5sc(=O)[nH]c5S[C@H]43)[C@H]2C1=O 40205451 IOYLOAKNPVOCST-CNGLPCARSA-N 446.506 1.977 0 40 IDAB COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccccc3F)CC2)cc1 56997997 JUYRYUQHZMEUJL-UHFFFAOYSA-N 428.464 1.489 0 40 IDAB C[C@@H]1Oc2ccc(NC(=O)NCCS(=O)(=O)N3CCc4ccccc43)cc2NC1=O 58157441 ZYEUBKFLBRSIBZ-ZDUSSCGKSA-N 430.486 1.920 0 40 IDAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCC(N2CCNC2=O)CC1 58200889 FNPRZBLNRVTVIN-LJQANCHMSA-N 435.956 1.913 0 40 IDAB CN(C)c1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CCN(C(=O)CO)CC2)n1 72352068 HWRWWFLASJUUIL-LJQANCHMSA-N 437.544 1.757 0 40 IDAB O=C1N[C@H](CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(O)=Nc2ccccc21 95475565 IHPDRTQKKAPSEM-GOSISDBHSA-N 436.468 1.850 0 40 IDAB CCN1C[C@]2(CC1=O)CN(C(=O)NCc1ccc(OC)cc1)CCN(C(=O)N(C)C)C2 96262158 JTKRGZKNHDMEQN-JOCHJYFZSA-N 431.537 1.443 0 40 IDAB O=C(c1[nH]nnc1-c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 225585272 YEZIAFPQHKHZNL-SFHVURJKSA-N 437.431 1.735 0 40 IDAB COC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 229943669 IZMMNXRTNWXGMV-FZONSQQESA-N 440.427 1.979 0 40 IDAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](NCc2cccc(CN3CCOCC3)c2)[C@H](O)C1 257289803 QAGNSCJDTXBIIR-NJDAHSKKSA-N 435.565 1.340 0 40 IDAB CN(CC12CC3CC(CC(C3)C1)C2)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O 585290757 DRWQLAKSHRMRQL-YPRJBKHQSA-N 434.602 1.931 0 40 IDAB Cc1cnccc1CN1C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)OCCCCOc2cccc1c2 2037972628 KIRVRXYILSKQGF-SSGKUCQKSA-N 432.517 1.029 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)Nc3nc(-c4cccs4)cs3)n2C)n(C)c1=O 6445016 HLIDOLHKTMLHIM-UHFFFAOYSA-N 448.555 1.887 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 8703947 WQKTZEAVHSUQTD-SFHVURJKSA-N 447.513 1.426 0 40 IDAB CCOc1ccc(-c2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)o2)cc1 8893409 YAWNVZDJSGHXKP-UHFFFAOYSA-N 429.458 1.877 0 40 IDAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC1CCCCC1 9128383 KCADHEAMFYPTPG-INIZCTEOSA-N 438.546 1.949 0 40 IDAB Nc1cc(=O)[nH]c(S[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 9194174 FWCCSVBUAUGLMK-INIZCTEOSA-N 431.499 1.472 0 40 IDAB Nc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 9194178 FWCCSVBUAUGLMK-MRXNPFEDSA-N 431.499 1.472 0 40 IDAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1cccnc1 9303205 XXTIGXRVCQVXNU-LSDHHAIUSA-N 434.493 1.765 0 40 IDAB CC1CCN(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 10794485 NUYBAXNYHAOXBP-UHFFFAOYSA-N 444.937 1.776 0 40 IDAB COc1cc(Cl)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1OC 11069503 BOJHPRSPLJZWDK-UHFFFAOYSA-N 443.909 1.969 0 40 IDAB CN(CC(=O)N1C[C@@H](c2csnn2)[C@H](c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 12182808 UKHHZBRFFGNQKO-YESZJQIVSA-N 438.550 1.506 0 40 IDAB CC(C)c1nc(C2CCN(C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)CC2)c2cccnc2n1 12220497 OJHCDWQYIVAPJY-QGZVFWFLSA-N 445.589 1.973 0 40 IDAB COc1ccc(-c2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2C)cc1 13041844 IWAKFHZCEUXZKS-UHFFFAOYSA-N 440.485 1.513 0 40 IDAB CC(=O)N[C@@H](Cc1ccccc1C)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1 13150496 DJIHQESUDQRTQC-QFIPXVFZSA-N 447.543 1.803 0 40 IDAB COc1cc2c3nc4n(c(=O)c3n(CC(=O)NC[C@H]3CCCO3)c2cc1OC)CCS4 13568150 KKJIIZGGSHPWNW-GFCCVEGCSA-N 444.513 1.769 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2ccccc2OC)cc1 13647850 KNXCEJDCMBOKBN-UHFFFAOYSA-N 435.546 1.967 0 40 IDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cn1nc(C)c2ccccc2c1=O 14213702 DHZVJRIRGZMJBZ-QGZVFWFLSA-N 429.546 1.967 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 16154222 KBVWFJMJDNJLGO-UHFFFAOYSA-N 442.515 1.526 0 40 IDAB O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN(Cc4ccccc4)C3=O)CC2)CCN1 19744078 KGPNXBXBTSUFGG-NRFANRHFSA-N 426.561 1.486 0 40 IDAB O=C(NCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 31810327 WKZAQZJPVOSQLT-INIZCTEOSA-N 425.464 1.039 0 40 IDAB C[C@H]1Cc2cc(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)ccc2N1S(C)(=O)=O 32810546 WWZVSKRDLYKLME-XOBRGWDASA-N 443.525 1.893 0 40 IDAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 58010544 PSJXORXVIJHDJA-MRXNPFEDSA-N 442.417 1.822 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)c2c(-n3cnnn3)sc3c2CCCC3)cc1 61720857 OAWZCQJPRGZFID-UHFFFAOYSA-N 432.531 1.223 0 40 IDAB CCOC(=O)C(=O)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72338444 ZCYHXPGRZVZQRG-KRWDZBQOSA-N 425.489 1.644 0 40 IDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)s1 223711810 NLAUUODELRHTMM-LLVKDONJSA-N 425.492 1.206 0 40 IDAB CN1CCN(CCCNC(=O)c2nc([C@@H]3CCCN3C(=O)N(C)C)n3ccccc23)CC1 306126260 DQZVLBVQHRKCFC-IBGZPJMESA-N 441.580 1.520 0 40 IDAB O=C(Nc1cccc(Cl)c1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243230 TYAJGRISAFASTF-HNNXBMFYSA-N 428.873 1.776 0 40 IDAB Cc1ccccc1OC[C@@H](O)Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C 850878 CHABZSKUTBDJHP-INIZCTEOSA-N 427.505 1.552 0 40 IDAB COC(=O)[C@H](CCC(=O)CN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 2042207 WQWIYRWDEHZISD-SFHVURJKSA-N 434.404 1.470 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)c2cc(Br)ccc2Cl)c(=O)n(C)c1=O 3233305 YMIIAQMCTRCLHG-UHFFFAOYSA-N 430.642 1.122 0 40 IDAB COCCn1c(=O)c2c(nc3n(CCc4ccc(OC)c(OC)c4)c(C)cn23)n(C)c1=O 8762777 FMSQREFHLLTDBG-UHFFFAOYSA-N 441.488 1.364 0 40 IDAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)NCc1ccccc1Cl 8849060 CHYNSGDDQBYKMR-UHFFFAOYSA-N 429.839 1.666 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(-c3nnc4n3CCCCC4)c1)c(=O)n2C 9058192 MRWZILKBWSNJDE-UHFFFAOYSA-N 448.487 1.057 0 40 IDAB C[C@@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCc2ccccc21 9961167 MHLQABMGNQDORQ-CQSZACIVSA-N 427.482 1.636 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 11367877 MRMTXHHLDCJDSV-INIZCTEOSA-N 427.523 1.494 0 40 IDAB CCN(CCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 12522271 FSGXWDMRTFNWKS-UHFFFAOYSA-N 444.557 1.454 0 40 IDAB CCCN(C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)[C@H]1CCS(=O)(=O)C1 12567708 WYFSODKJUSWNMB-DJJJIMSYSA-N 439.559 1.257 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1C(N)=O 12889235 ZETHZOFZJZIMJB-UHFFFAOYSA-N 426.445 1.442 0 40 IDAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(c2ncccn2)CC1 13655326 QOTRULKLNWKULQ-MRXNPFEDSA-N 449.964 1.880 0 40 IDAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O 13992292 OMKSMWVVPVCBGK-UHFFFAOYSA-N 427.457 1.856 0 40 IDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14865634 CZQKOGSVFVMDAR-UHFFFAOYSA-N 429.514 1.223 0 40 IDAB NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 16010005 ZHQYWYBWLDLABC-CCFTVXDOSA-N 442.834 1.280 0 40 IDAB CN(C)C[C@@H]1CCCN(C(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)C1 19751326 FTRMIGLAADUZPW-SFHVURJKSA-N 428.508 1.718 0 40 IDAB O=C(CCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccn1 20731941 MCHLNSYXDHPOSD-UHFFFAOYSA-N 434.493 1.863 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc4ccccc4c3)CC2)CC1 20744476 RUGSBRHBLNQMNG-UHFFFAOYSA-N 429.542 1.796 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3COc4ccccc4O3)c2)CC1 36287587 FOMRSSLJYVOXBX-QGZVFWFLSA-N 431.514 1.193 0 40 IDAB O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)Nc1ccccc1Br 49399952 SYCZUJLTRDGHAK-UHFFFAOYSA-N 433.266 1.129 0 40 IDAB Cc1cc(C)n(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(F)c3)CC2)n1 57478130 PJHRUKZBNASMLA-UHFFFAOYSA-N 446.508 1.572 0 40 IDAB O=C(CCn1nnc2ccccc21)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338779 UHLDAULEUBTELF-NRFANRHFSA-N 440.529 1.790 0 40 IDAB CCc1ccc([C@H](COC)NC(=O)CNS(=O)(=O)c2cc(OC)ccc2OC)o1 83825386 GIYCZZRUEWFLHA-HNNXBMFYSA-N 426.491 1.641 0 40 IDAB COc1ccc(-c2nn([C@@H](C)C(=O)NCCCN3CCOCC3)c(=O)cc2OC)cc1 96101078 UPSPRVVPQCJXRB-INIZCTEOSA-N 430.505 1.327 0 40 IDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(OC)c(OC)c2)o1 96221126 CNQQLGBMGSJLKB-INIZCTEOSA-N 433.457 1.890 0 40 IDAB biogenic CCS(=O)(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCN(C(=O)C(C)(C)C)C3 100235079 ZFIZFQYXJLQSJS-MRXNPFEDSA-N 435.550 1.852 0 40 IDAB CSCC[C@@H](C(=O)Nc1ccc(-n2cnnn2)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101405250 ZNIHYABQGJYKQQ-BBWFWOEESA-N 428.518 1.898 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222897902 QMIZCRILMFDGLN-HNNXBMFYSA-N 429.498 1.037 0 40 IDAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccc(Cl)cc4)C3)C2=O)o1 225397091 ILZJVCHVPPGDKV-MJGOQNOKSA-N 429.904 1.800 0 40 IDAB biogenic,in-vitro C[C@@H]1O[C@@H]2OC(=O)[C@]3(C)CC4=C(CO)C5=C(CC(=O)[C@]4(C)[C@H](C1=O)[C@H]23)C(C)(C)OC(=O)C5 247948874 JIEVZPUBUDASNE-KOQFQPKPSA-N 444.480 1.790 0 40 IDAB biogenic,in-vitro Cc1c(S(=O)(=O)N2CC[C@@](Cc3cc(-c4ccc(F)cc4)no3)(C(N)=O)C2)cnn1C 257260209 LBUGKCRPPVNKLD-FQEVSTJZSA-N 447.492 1.631 0 40 IDAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2n[nH]c(=O)[nH]2)CC1 257282664 OURSJUARFCDVGM-UHFFFAOYSA-N 434.500 1.761 0 40 IDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 408693011 BAXKBXGEXIQTFA-UHFFFAOYSA-N 434.470 1.755 0 40 IDAB COC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21 409133258 NHJUIRDOYYNTRC-YVLHZVERSA-N 443.481 1.709 0 40 IDAB CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 534741755 UOCAHERLFLJAKJ-HNNXBMFYSA-N 444.435 1.597 0 40 IDAB Cn1c(C(F)(F)F)nn(C2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)c1=O 575615740 JJUCQXZMINJUOI-UHFFFAOYSA-N 432.424 1.561 0 40 IDAB CCOC(=O)[C@H]1CN(Cc2ccco2)C[C@H]2CN(C(=O)c3ccnc(F)c3)CCN2C1 585108167 JMYZTRQIWNMGKU-ROUUACIJSA-N 430.480 1.635 0 40 IDAB COc1c2ccc(C(=O)N3CC(Cn4nc(-c5cccnc5)ccc4=O)C3)cc2nn1C 585605262 YLDQWNQVRMJKLU-UHFFFAOYSA-N 430.468 1.973 0 40 IDAB O=C(c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2)N1CCN(CCO)CC1 643584200 IKPBMHZKXBMCFY-UHFFFAOYSA-N 439.556 1.526 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)cc1 1775968141 KFBILMUAGWHKNM-UHFFFAOYSA-N 444.557 1.535 0 40 IDAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5cccc(OC)c5)C[C@H]4C3)ncnc21 1888935244 LCZBWZYFIJOSMF-HUUCEWRRSA-N 428.518 1.612 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5ccc(OC)c(C)c5)C[C@@H]4C3)nn12 1888944375 SARNJNBAVPHRDA-HOTGVXAUSA-N 442.545 1.761 0 40 IDAB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 1362970 BENMXGKADDLZQQ-UHFFFAOYSA-N 440.529 1.722 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCC2=CCCCC2)cc1 3016059 UFJUCVRGBUJHNR-FQEVSTJZSA-N 449.573 1.855 0 40 IDAB C[C@@H]1CN(C(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@@H](C)O1 3237810 LIKGULSBNRTINB-ZIAGYGMSSA-N 443.477 1.856 0 40 IDAB COc1cc2oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c(C)c2cc1Cl 8952228 XBTNFUDZOFMOMP-ZDUSSCGKSA-N 439.852 1.324 0 40 IDAB biogenic CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(=O)n(C)c1=O 9120319 ZAFKWKUMLFTHCE-UHFFFAOYSA-N 429.807 1.757 0 40 IDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 9411878 LSBTZWZVDULUOO-INIZCTEOSA-N 446.573 1.755 0 40 IDAB CN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@@H]1CCS(=O)(=O)C1 9464610 MPTFCRRZNXUKDY-LJQANCHMSA-N 448.566 1.693 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c(OC)c1 11858140 JFCWAAZCCKDSNV-UHFFFAOYSA-N 426.472 1.571 0 40 IDAB Cc1c(C(=O)N2CCC(c3nc(N4CCCCC4)ncc3S(C)(=O)=O)CC2)cnn1C 12133410 VDRYRTOIEQHTEJ-UHFFFAOYSA-N 446.577 1.932 0 40 IDAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)s1 12232181 CIUIUIXASOJISE-UHFFFAOYSA-N 447.542 1.699 0 40 IDAB COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1OC 12390881 JRMVSIOPKMODAU-UHFFFAOYSA-N 446.485 1.316 0 40 IDAB O=C(CN1CCCN(Cc2ccccc2)S1(=O)=O)N1CCN(c2ccc(F)cc2)CC1 12415531 WIPPXEBQEYTEBU-UHFFFAOYSA-N 446.548 1.927 0 40 IDAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)cc1)N1CCOCC1 12564441 PABXLVWNWYUKFA-IBGZPJMESA-N 437.543 1.628 0 40 IDAB COC(=O)c1c(NC(=O)CN2CCCC[C@H]2CNS(C)(=O)=O)sc2c1CCCC2 12974584 KXXMZTDAUBVROE-ZDUSSCGKSA-N 443.591 1.756 0 40 IDAB COc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1S(=O)(=O)N(C)C 13100046 LKOUBCUIMAJVIK-HXUWFJFHSA-N 446.485 1.058 0 40 IDAB COc1cc(NC(=O)C2CCCC2)c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1OC 14707491 YDWTWDOGEVXINU-UHFFFAOYSA-N 445.472 1.587 0 40 IDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 17165131 QNOMUTMJHLXJSE-LLVKDONJSA-N 440.294 1.689 0 40 IDAB O=C(O)[C@H]1[C@H](c2ccccc2)N2[C@H](C(=O)O)[C@H](C(=O)O)[C@H](c3ccccc3)N2[C@H]1C(=O)O 19170565 RCMUBGHNTZSDQN-MULDDASSSA-N 440.408 1.323 0 40 IDAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1cc(=O)[nH]c(N2CCOCC2)n1 19291981 PBNXYEPXLBMDOP-UHFFFAOYSA-N 440.426 1.017 0 40 IDAB COC[C@@H](O)CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19593053 PGEZECUALGOSTB-IBGZPJMESA-N 436.512 1.192 0 40 IDAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(C)CC1 20080982 BULXYUHFKKZFJT-IBGZPJMESA-N 439.520 1.725 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 20727241 ZMXJSHWIVAOJHP-UHFFFAOYSA-N 426.882 1.064 0 40 IDAB COCCNC(=O)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 23080756 VEADPPRLXNGISV-UHFFFAOYSA-N 435.502 1.671 0 40 IDAB O=C(CCn1c(=O)oc2ccccc21)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23674571 XCPHGXKDMGZSNQ-UHFFFAOYSA-N 439.497 1.398 0 40 IDAB NC(=O)[C@@H]1CC(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)=NN1c1ccccc1 29439117 GGPFFBBKNVTIKA-NRFANRHFSA-N 433.512 1.662 0 40 IDAB COc1cccc([C@@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c2nccn2C)c1 29975714 APMIYYUGUQYLIZ-VQTJNVASSA-N 432.484 1.755 0 40 IDAB COc1ccc(OC)c(-n2cnc3cc(C(=O)N[C@H]4CCS(=O)(=O)C4)ccc3c2=O)c1 32072349 YESHSYKJRBXJQP-AWEZNQCLSA-N 443.481 1.320 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N(C)C2CCCCC2)cc1 32957424 AJPGSYKJTWHIJH-UHFFFAOYSA-N 439.534 1.600 0 40 IDAB COc1cccc(/C=C2/SC(=O)N(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)c1 33585689 XUTAXMXYCRHFEI-DSQDWWTGSA-N 438.527 1.767 0 40 IDAB CS(=O)(=O)N1C[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)Oc2ccccc21 38831821 RHJNWALLCQKDBX-OAQYLSRUSA-N 445.541 1.362 0 40 IDAB COc1ccc(N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cccs2)cc1 40159322 VXRGSDHRFLDPRC-CYBMUJFWSA-N 444.556 1.255 0 40 IDAB CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 72260190 QSGQHCFDZXMGJW-UHFFFAOYSA-N 444.923 1.574 0 40 IDAB CCCN1C(=O)N[C@H](CCC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)C1=O 72393303 KQLQQEOUOXPPPM-MRXNPFEDSA-N 428.489 1.281 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@H]1[C@H]3Sc2[nH]c(=O)sc2[C@H]1c1cccnc1 100902027 MLQZGIPLWFHGLW-BQFLWHNLSA-N 443.506 1.389 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222626609 OBDQKLUUCJUIKO-CQSZACIVSA-N 447.488 1.524 0 40 IDAB CC(=O)N(C)[C@H]1CC2(CCN(C(=O)COc3ccc(F)cc3F)CC2)OC[C@]1(C)O 257317188 VISHMGFAIJNAPJ-ICSRJNTNSA-N 426.460 1.723 0 40 IDAB COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccc3c(c1)S(=O)(=O)N=C1N=CNN13)C2 680056529 IAGBPCBHFHZNNR-OAHLLOKOSA-N 425.470 1.394 0 40 IDAB NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]32)cc1 1213318229 BMOYHTIMAUPDPS-FVQBIDKESA-N 443.344 1.713 0 40 IDAB COC(=O)Cc1cccc(S(=O)(=O)NCCn2cc(Br)ccc2=O)c1 1655475740 JGJTTYJDCAGZLU-UHFFFAOYSA-N 429.292 1.305 0 40 IDAB COc1ccc(F)c(CN2CCO[C@@]3(CO[C@H](C(=O)NCCCn4ccnc4)C3)C2)c1 2056225942 FTLKTUIMOGODAX-RBBKRZOGSA-N 432.496 1.597 0 40 IDAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(I)c(O)c(OC)c1 683708 CGUUSQFBHXCWTM-NSHDSACASA-N 434.255 1.971 0 40 IDAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O 3256137 DCFPCYQGMIYJLB-OAQYLSRUSA-N 444.875 1.685 0 40 IDAB O=C(COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)NCc1ccc2c(c1)OCO2 3279305 VAPKFUHVJNRSII-CMDGGOBGSA-N 432.454 1.165 0 40 IDAB C[C@H](Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)C(=O)NC(N)=O 3521785 KQLCDUDAWCGFAX-LBPRGKRZSA-N 426.502 1.936 0 40 IDAB CC(C)C[C@@H](C(=O)NC(C)(C)C)N(C[C@@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N 6134974 GXOAYZPJQNCWMT-STQMWFEESA-N 439.582 1.775 0 40 IDAB COCCN(CC(=O)NCc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1nccs1 8676928 FIUMRHWFGDBICI-UHFFFAOYSA-N 448.501 1.382 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1 9037439 NQFQFKHXVSBNGI-ZDUSSCGKSA-N 434.470 1.764 0 40 IDAB COc1ccc(C)cc1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21 11689613 URQUDNVUPWSJFY-UHFFFAOYSA-N 446.481 1.815 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 13060501 IFKLARASNBRMTR-GOSISDBHSA-N 427.482 1.585 0 40 IDAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 13567080 XRODXLMJRATOCS-UHFFFAOYSA-N 434.470 1.762 0 40 IDAB COc1ccc([C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285462 IUTYZXNRQHVAQO-TYCQWZJGSA-N 440.544 1.765 0 40 IDAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CN(C(=O)Cn3cccnc3=O)CCO2)n1 19692718 KJJPQUCUVRKZGV-SFHVURJKSA-N 438.463 1.506 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)[C@@H]3CC=CCC3)C1)C2=O 19699585 MIRWNVRBYQFKEK-MSOLQXFVSA-N 430.549 1.903 0 40 IDAB CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2cnn(C)c2)CCO1 19703136 STEDXFDOTJIYFT-OAHLLOKOSA-N 429.502 1.308 0 40 IDAB Cc1nc([C@H]2CCN(C(=O)COc3ccc(F)cc3F)C2)ncc1C(=O)N1CCOCC1 19757795 PBZHYLQPEOZDJN-HNNXBMFYSA-N 446.454 1.931 0 40 IDAB CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1 22097055 LXUWTSYZKPQNIH-UHFFFAOYSA-N 445.608 1.933 0 40 IDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc1 25014800 ROIJRGYXSCFVRS-JLTOFOAXSA-N 447.513 1.752 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4c(C)nn(C)c34)CC2)cc1OC 28557467 RCGKAPXQQPGXFT-UHFFFAOYSA-N 446.533 1.508 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)Cc2csc(NC(=O)c3cnccn3)n2)n1 36657910 JIZVZCSUNCIVAJ-UHFFFAOYSA-N 432.487 1.929 0 40 IDAB C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)n1nc(-c2ccc(F)cc2)ccc1=O 42380971 NNXXMBMCHYGEEI-AWEZNQCLSA-N 444.488 1.617 0 40 IDAB COCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945826 VWKIWIKWLMRILJ-LJQANCHMSA-N 432.496 1.551 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1OC 113946532 WQHUJMQVARDFEW-UHFFFAOYSA-N 432.546 1.998 0 40 IDAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206910986 DIPSUDVOUDPEAV-UHFFFAOYSA-N 429.506 1.194 0 40 IDAB C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222893419 ZDDJIEXDWKWDRR-INIZCTEOSA-N 435.521 1.751 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NC[C@@H]1COc2ccccc2O1 225281999 XXSBUEXGOWMWLZ-MRXNPFEDSA-N 434.514 1.834 0 40 IDAB COCCO[C@H]1CCCN(C(=O)c2cncc(C(=O)N3CCC[C@H](OCCOC)C3)c2)C1 559058728 RKJRIYXHTUUGFK-SFTDATJTSA-N 449.548 1.617 0 40 IDAB COc1cc(CN(C)C[C@@]2(O)CCCN(c3ncccn3)C2)ccc1OCCN(C)C 585271990 HXHGPOYEEZGKRT-QHCPKHFHSA-N 429.565 1.889 0 40 IDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 617976388 YSFVRINHZHYRIZ-QZTJIDSGSA-N 437.562 1.234 0 40 IDAB Cc1cc(N2C[C@H]3CN(C(=O)C[C@@H]4CSc5nc(C)c(C)c(=O)n54)C[C@H]3C2)ncn1 1889404705 MWCLIBCNZWUWPP-IXDOHACOSA-N 426.546 1.590 0 40 IDAB O=S(=O)(N1CCOCC1)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 2087117055 FPEOOTZAHYXCOC-UHFFFAOYSA-N 440.529 1.843 0 40 IDAB O=C(c1ccccc1OC(F)F)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243122 KQHWWZQMJGKEFI-ZDUSSCGKSA-N 427.429 1.193 0 40 IDAB COc1ccc(N(CC(=O)NCCC(C)C)C(=O)c2snc(C(N)=O)c2N)c(OC)c1 6134005 UXZRZWGGZFRRSE-UHFFFAOYSA-N 449.533 1.651 0 40 IDAB O=C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]2CCCC[C@H]12 8932168 FYCUCUDXCHKGHM-ROUUACIJSA-N 442.559 1.230 0 40 IDAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 9671364 PUZXSMVOKAJZOE-UHFFFAOYSA-N 434.470 1.514 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccccn1 9715265 DIHGODHFWFMZMR-GOSISDBHSA-N 448.520 1.587 0 40 IDAB CCCCN(C(=O)Cn1c(=O)cnc2ccccc21)c1c(N)n(CCC)c(=O)[nH]c1=O 9960875 CGOAZZXGNBTGKF-UHFFFAOYSA-N 426.477 1.072 0 40 IDAB COc1ccc(NCCN2N=C(C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1Cl 10108789 OSOMAXJXANILPI-UHFFFAOYSA-N 431.884 1.404 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCCC3)nn2)cc1 11792423 RWHVYMJGNUMHJQ-UHFFFAOYSA-N 449.558 1.694 0 40 IDAB O=C(NCCc1ccc(F)cc1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029454 OEYHEKINLWBFJG-GOSISDBHSA-N 425.503 1.759 0 40 IDAB O=C(c1ccc[nH]c1=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 12752306 MJYWFDAKMQWFET-UHFFFAOYSA-N 425.514 1.510 0 40 IDAB O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc2c(c1)OCCCO2 12795819 WYTQHFWJLZIIBR-UHFFFAOYSA-N 445.497 1.892 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNC(=O)c1cccs1 13135044 XLCQUELECGFHQC-UHFFFAOYSA-N 439.515 1.146 0 40 IDAB O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14116413 WXTWTNSBZNJMGQ-OAHLLOKOSA-N 425.938 1.412 0 40 IDAB CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3N=CC[C@@]3(O)C(F)(F)F)C2)c(C)n1 17101266 VPJSUTRZBAGHIW-IUODEOHRSA-N 437.444 1.081 0 40 IDAB CN(C)c1ncc(CN2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cn1 19759755 WBSCRCSFNWOLGE-OAQYLSRUSA-N 436.516 1.386 0 40 IDAB CC(=O)NCC(=O)N1CCC(c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)CC1 19766589 WPLJTLJIFVUJSF-UHFFFAOYSA-N 427.480 1.696 0 40 IDAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCOCC2)c1=O)CC[C@H](C)C3 20591147 KDWMRUUDLLOQKR-AWEZNQCLSA-N 435.546 1.245 0 40 IDAB CCc1nnc(NC(=O)CSc2nc(C3CC3)nc3c2c(=O)n(C)c(=O)n3C)s1 20604934 ZNRZFZWHGUWSML-UHFFFAOYSA-N 433.519 1.049 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)C1=O 22804425 DSSBMTFRFIPDBP-HGJFNOKFSA-N 447.539 1.816 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)C1=O 22804432 DSSBMTFRFIPDBP-FPVCCHAOSA-N 447.539 1.816 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(-c4nnco4)c3)c2)CCN1 23146684 AADZKPNHGJJJOF-UHFFFAOYSA-N 427.442 1.109 0 40 IDAB CS(=O)(=O)c1ccc2nc(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)sc2c1 36646460 FZMSQZCSOUUYLN-UHFFFAOYSA-N 448.526 1.689 0 40 IDAB CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC(=O)N3CCCC3)cc21 40156726 SXEDCKMHIXJAKI-UHFFFAOYSA-N 430.324 1.259 0 40 IDAB COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1OC 44884590 XKWZNBFEDDOZJQ-UHFFFAOYSA-N 448.541 1.838 0 40 IDAB COc1cccc(CNC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)c1OC 67320375 ZMEOWOCUPIYLMB-UHFFFAOYSA-N 427.432 1.780 0 40 IDAB Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 69947905 ADQPQSIMGWJIJA-QGZVFWFLSA-N 426.521 1.961 0 40 IDAB CN(C)S(=O)(=O)N1CCCC[C@H]1Cc1c(C(=O)NCCO)sc2ccccc12 72370448 BXQYLZKZUXAGQJ-AWEZNQCLSA-N 425.576 1.827 0 40 IDAB CN(C)c1nc([C@H]2CCN(C(=O)c3cccc(N4CCCCS4(=O)=O)c3)C2)cc(=O)[nH]1 72395217 MSPJVCFDWHSQDI-INIZCTEOSA-N 445.545 1.396 0 40 IDAB CCN(CC)C(=O)CCCNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 95465630 XLSFTDMJDGPTJB-QHCPKHFHSA-N 426.517 1.893 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 108879036 FAERPQIMQZYLND-UXLLHSPISA-N 438.546 1.994 0 40 IDAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 147938270 XWZPPYRAUPROIX-INIZCTEOSA-N 430.578 1.964 0 40 IDAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223492895 STTBQANJJKROJL-HSALFYBXSA-N 425.529 1.924 0 40 IDAB COc1cccc(OCCNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1 225154470 KKISPSNTDCVOSS-UHFFFAOYSA-N 434.470 1.715 0 40 IDAB CN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3cccc4c3OCO4)CN(C)C(=O)C2)CC1 225406244 ZPAOLZRGOZXFQI-IEBWSBKVSA-N 430.549 1.296 0 40 IDAB biogenic,in-vitro O=C(c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1)N1CCOCC1 257243257 IGCMAXMHSFVFGU-CYBMUJFWSA-N 440.472 1.729 0 40 IDAB CNc1nc([C@H]2CCN(C(=O)COc3ccc4c(c3)OCCO4)C2)nc2c1CN(C)CC2 257332520 XXQJTHJJXIEAOL-HNNXBMFYSA-N 439.516 1.672 0 40 IDAB Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CC2)nc(C(C)C)n1 523870618 BPNQFTCGVYYGPQ-UHFFFAOYSA-N 429.546 1.705 0 40 IDAB COCC(=O)N1CCN(CC2(O)CCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 585282154 HPUSYWZFSSVRMF-DEOSSOPVSA-N 434.577 1.899 0 40 IDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)C1 607754350 DOGJWJUGPXLNJA-GJZGRUSLSA-N 435.550 1.079 0 40 IDAB Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 1139151689 QKNZWDGDXQPIAG-NRFANRHFSA-N 439.493 1.983 0 40 IDAB Cn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F 9741472 OMDUZCPDXUKGSV-MNOVXSKESA-N 442.485 1.121 0 40 IDAB COc1ccccc1C(=O)NCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 11451709 DZSZXDKJPHMTIB-UHFFFAOYSA-N 437.543 1.456 0 40 IDAB CCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC[C@H]2CCCO2)cc1 12137107 BDBNHRYTTBNGFS-SJORKVTESA-N 449.529 1.013 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCC(C)CC2)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12251457 KZRPADJHRLHYOL-UHFFFAOYSA-N 440.479 1.776 0 40 IDAB O=C(CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NC1CCCCC1 12409149 PVFMBTMBADBXOG-UHFFFAOYSA-N 437.504 1.747 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 12520887 DNEAAOFNUMGCLG-HNNXBMFYSA-N 448.497 1.900 0 40 IDAB C[C@]1(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)Cc2ccccc2C(=O)O1 12936498 WPYSUOXFLRLPSM-OAQYLSRUSA-N 432.473 1.830 0 40 IDAB CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)C(C)(C)C 13014315 NYVBQYUPODTBOT-UHFFFAOYSA-N 431.942 1.804 0 40 IDAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OC)cc2OC)c1=O 13533186 LEPOYGPUKMSWEE-UHFFFAOYSA-N 433.486 1.917 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 14184846 FOOWWCQDWAYQCK-PXRHCINRSA-N 436.530 1.973 0 40 IDAB C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)N1CCOCC1 15221844 PCDLZKQEXKXZAO-AWEZNQCLSA-N 444.937 1.919 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCN(c3ncccn3)CC2)cc1 17298931 MLAIFQKHTLKCGG-LJQANCHMSA-N 431.562 1.827 0 40 IDAB O=C(c1ccccc1F)N1CCc2c(nc([C@@H]3CCN(C(=O)[C@H]4CCCO4)C3)[nH]c2=O)C1 19347662 JVWSYLHVXFCQEY-AUUYWEPGSA-N 440.475 1.602 0 40 IDAB Cc1nn(CC(=O)N[C@@H](C)Cn2nc(-c3cccs3)oc2=O)c(=O)c2ccccc12 19565984 NKZBOVOLPPYGOI-LBPRGKRZSA-N 425.470 1.788 0 40 IDAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)CN1CCCCCC1=O)CC2 19752426 XGMYSKRCWSMZSU-KRWDZBQOSA-N 442.564 1.532 0 40 IDAB COC(=O)[C@@H](CN1CCN(c2ccccc2)CC1)[C@@](O)(c1nccn1C)C(F)(F)F 24927231 IRRDDUWDHNSBTL-VQIMIIECSA-N 426.439 1.781 0 40 IDAB CS(=O)(=O)N1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 26208695 KTZBWOPPGXATHI-UHFFFAOYSA-N 432.340 1.063 0 40 IDAB NC(=O)C1(N2CCCCC2)CCN(c2ncc(S(=O)(=O)c3ccccc3)c(N)n2)CC1 33301804 MQDFLFUUKJPAOF-UHFFFAOYSA-N 444.561 1.202 0 40 IDAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC(C(=O)N2CCOCC2)CC1 36745218 STTZHZHDZZNLCA-UHFFFAOYSA-N 440.500 1.033 0 40 IDAB CCOC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 48275430 LMBFSRNAEPWRPU-KRWDZBQOSA-N 447.532 1.832 0 40 IDAB Cc1sc2nc(CN3CCOCC3)nc(NC[C@@H](Cc3cnn(C)c3)C(N)=O)c2c1C 89565275 SSDZZMARBXYTRC-MRXNPFEDSA-N 443.577 1.630 0 40 IDAB COc1ccsc1S(=O)(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 95415192 PXWURMKRIAYVON-HNNXBMFYSA-N 429.951 1.943 0 40 IDAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)CC1 95482171 SVBLWOINZOJREN-UHFFFAOYSA-N 430.574 1.630 0 40 IDAB O=C(c1ccco1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 96056174 MYCYEZPWYBICKF-JTSKRJEESA-N 425.489 1.287 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 105346772 OJBPQRSSQGMMPR-MGXIVBFVSA-N 437.471 1.744 0 40 IDAB Cc1ccc(C)n1-n1c(CCCN2CCN(C)CC2)nnc1CCCN1CCN(C)CC1 225153315 SAAAIWVMDRMNQT-UHFFFAOYSA-N 442.656 1.368 0 40 IDAB CC[C@H](C)N1CCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 248272108 ZYTHJAXEJAPGST-LLJLJFOGSA-N 441.576 1.882 0 40 IDAB CN1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3cccnc3N2)CC1 253596524 SDDDCBPFOZNGQF-TUMZOIKCSA-N 426.565 1.123 0 40 IDAB C[C@H]1CN(C)CC[C@H]1CCc1ccc(NC(=O)Cn2cnc3c2c(=O)nc(O)n3C)cc1 253602846 RZXLHGJYWVWKLL-DOTOQJQBSA-N 438.532 1.995 0 40 IDAB O=C(c1cnccn1)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2C1 306124090 BFYXZKWZUTZNAL-ROUUACIJSA-N 437.481 1.348 0 40 IDAB CN(C)CCNC(=O)[C@@H]1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N12 306132877 LVEIUBZZSWTZHG-QUCCMNQESA-N 443.573 1.301 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCCN1CCOCC1 408593779 OENDDBCNGJXZJE-UHFFFAOYSA-N 445.541 1.265 0 40 IDAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)c1 408668512 LWLRCILJDIPMFU-OAHLLOKOSA-N 425.441 1.679 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H](Oc2ncccn2)C1 575613120 PAZHFZDNVCYOCB-KRWDZBQOSA-N 432.502 1.181 0 40 IDAB C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1617374144 YDPMUDYQIPWYCY-DNVCBOLYSA-N 442.491 1.478 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cnn1C 6156805 XLCMILSAGJRIBZ-LBPRGKRZSA-N 442.339 1.925 0 40 IDAB CC(C)CNC(=O)CN(CC(=O)NCC(C)C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 7779504 GCERYUREQGXQRJ-INIZCTEOSA-N 426.583 1.241 0 40 IDAB NC(=O)c1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3ccncc3)s2)cc1 8770615 KUVDLGXKNWYFDD-GFMRDNFCSA-N 436.497 1.795 0 40 IDAB CC(=O)Nc1cccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)c1 8849718 XAVIYVHHAOEREG-UHFFFAOYSA-N 434.456 1.462 0 40 IDAB CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)NC(C)C 8877662 WVNCUCUJMSDSCA-QKKBWIMNSA-N 431.489 1.344 0 40 IDAB biogenic CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)NCCN)c(=O)n3Cc2ccccc2)CO1 9133918 WHBLUMGCDBKDKJ-UHFFFAOYSA-N 442.541 1.199 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC3CCCC3)nc(-c3ccccc3)nc2n(C)c1=O 9277959 VKCWAFSVJAUITL-UHFFFAOYSA-N 425.514 1.845 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 9590521 ZLHVQQHFOXETTO-NRFANRHFSA-N 437.521 1.992 0 40 IDAB CN(C(=O)COC(=O)c1ccccc1I)[C@@H]1CCS(=O)(=O)C1 9612639 KNVAKBYQAGPSEM-SNVBAGLBSA-N 437.255 1.094 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3nn(C)c(=O)c4ccccc34)CC2)cc1 9666011 UHKFTVIVDDUVIH-UHFFFAOYSA-N 440.525 1.779 0 40 IDAB CCOC(=O)C1CCN(C(=O)c2cn(C)c3c(=O)n(-c4ccc(C)cc4)c(=O)[nH]c23)CC1 9821071 RNEXHEZQZKKETB-UHFFFAOYSA-N 438.484 1.741 0 40 IDAB COc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1S(=O)(=O)N1CCOCC1 10815221 WOKRZAGNKISKMA-UHFFFAOYSA-N 439.578 1.755 0 40 IDAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cn3cnc4c(cnn4C)c3=O)n2)c(F)c1 11177980 IETLENIMPPYPSQ-UHFFFAOYSA-N 441.448 1.990 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccccc1F 11906101 VFNVGGZZJZMZAI-UHFFFAOYSA-N 428.463 1.379 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)N4CCCC4)CC3)CC2)cc1 12824366 QBGGSWKWHZJKBW-UHFFFAOYSA-N 448.589 1.756 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cn1nnc(-c2ccsc2)n1 12937560 LHOWBLQFGKOUFM-UHFFFAOYSA-N 432.531 1.631 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 13058571 DUKVTSVJDFHMLJ-UHFFFAOYSA-N 431.514 1.843 0 40 IDAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCC(=O)NC(C)(C)C)ccc2Cl)C[C@@H](C)O1 15175915 NYUQEKXZSSHTKY-BETUJISGSA-N 445.969 1.782 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 15614982 NUSZIZAIFCIXLV-ZDUSSCGKSA-N 447.351 1.919 0 40 IDAB COc1ccc([C@H]2N=C3NCN(N4CCN(C)CC4)CN3c3nc4ccccc4n32)cc1 19171513 JGEFTWQHMQGZHL-NRFANRHFSA-N 432.532 1.750 0 40 IDAB COC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 19460551 IZMMNXRTNWXGMV-KEXUJGGDSA-N 440.427 1.979 0 40 IDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)cs1 19571866 AAVQEJYFFPIFHW-UHFFFAOYSA-N 431.543 1.999 0 40 IDAB COc1cc(CN2CCO[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)ccc1OCC(N)=O 19693799 VGUANZQPFYNNQT-QFIPXVFZSA-N 437.500 1.928 0 40 IDAB C[C@H]1C[C@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 19699429 MNBMMYVBOXMGQF-QFBILLFUSA-N 438.528 1.860 0 40 IDAB CC(=O)c1cc2c(cc1NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O)OCO2 21925002 RTJFGMNGJXNMJP-UHFFFAOYSA-N 425.319 1.536 0 40 IDAB CC(=O)c1ccccc1OCCOC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 22177104 VJDMXJLKNYASKA-UHFFFAOYSA-N 448.497 1.609 0 40 IDAB COc1ccc(CCN2C[C@H](C(=O)N3CCN(C[C@@H]4CCCO4)CC3)CC2=O)cc1OC 25638708 KICCUAVDOSGOOB-UXHICEINSA-N 445.560 1.418 0 40 IDAB O=CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 26110794 ZMIRKYUTYYFQTQ-AWEZNQCLSA-N 448.372 1.836 0 40 IDAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 39984226 DZVVQEABZYGMER-UHFFFAOYSA-N 449.916 1.922 0 40 IDAB CN1CCN(S(=O)(=O)c2ccc(SCCS(=O)(=O)c3ccccc3)nc2)CC1 40024296 TWPSTECFKJRHEF-UHFFFAOYSA-N 441.600 1.584 0 40 IDAB COCc1nn2c(nnc3c(=O)n(CCN4CCOCC4)ccc32)c1-c1ccc(F)cc1 40392313 LKYYAIVMGAUQIT-UHFFFAOYSA-N 438.463 1.724 0 40 IDAB COc1ccc(CN2CCN(C(=O)C3(n4cnnn4)CCCCC3)CC2)c(OC)c1OC 72402815 JGDYBMIPJPSLRG-UHFFFAOYSA-N 444.536 1.703 0 40 IDAB CC(=O)Nc1ccc(N(C[C@@H](O)CN2CCNCC2)S(=O)(=O)c2ccc(C)cc2)cc1 95117131 ORNOIMRZJGCVQT-NRFANRHFSA-N 446.573 1.415 0 40 IDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(C)CC1 95464876 IPEIHWBCFPQXOF-MJGOQNOKSA-N 430.549 1.437 0 40 IDAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(F)cc2)CC1=O 138714541 VONPLQUMRUBTQY-ZDUSSCGKSA-N 429.404 1.510 0 40 IDAB CN(C)S(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1ccccc1F 219245081 CRCRNOCEXAYCOQ-UHFFFAOYSA-N 439.494 1.866 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)s1 223777480 GOONWZJLZNEHTL-SECBINFHSA-N 448.523 1.736 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCO2 224992716 NCBADDYULSUNQJ-UHFFFAOYSA-N 433.486 1.657 0 40 IDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2[C@H]3CC[C@H]2Cn2c(nc4ccccc4c2=O)C3)C1=O 248027085 KPSPJIPGSWRIMU-NPGVVQFXSA-N 435.484 1.033 0 40 IDAB C[C@@]1(C(=O)N2CCOCC2)CN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)CCO1 257224656 FCTHYAWMWBQSBA-QHCPKHFHSA-N 440.500 1.762 0 40 IDAB CC(C)c1nc2cc(C(=O)N3CC[C@@H](n4cnc5c(N)nc(N)nc54)[C@](C)(O)C3)ccc2[nH]1 257231206 GFUBQRIHFMRJMF-IVZQSRNASA-N 449.519 1.829 0 40 IDAB COC(=O)CN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)O)N(C)C1=S 409208898 DXGYVKIBPBFZJS-WDZFZDKYSA-N 443.275 1.485 0 40 IDAB CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)ccc1OC 575420775 DYHZCFFQAOOYRC-MRXNPFEDSA-N 448.607 1.614 0 40 IDAB O=C(Cc1ccccc1)N1CCC2(CC1)CCn1c2nn(Cc2ccccc2)c(=O)c1=O 585106518 HYPKAKXFWBLQHR-UHFFFAOYSA-N 430.508 1.960 0 40 IDAB COCCN1C(=O)CN(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)C1=O 824411938 HXQXALYKNWPCRD-OAHLLOKOSA-N 446.479 1.080 0 40 IDAB COC(=O)c1cnc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)s1 1557104630 HEZMYIAYCBXLIC-CFVMTHIKSA-N 433.486 1.879 0 40 IDAB CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@]12C(=O)Nc1cc(Br)ccc12 1246778 APZLASSTPVKXLO-GOSISDBHSA-N 437.246 1.850 0 40 IDAB CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)O 2158923 YXFYDKGOUWOCQS-WLRWDXFRSA-N 432.473 1.829 0 40 IDAB biogenic Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Cn3nc(C)nc3C)CC2)c(C)c1 8714473 BNIQUXOHPPDKNJ-KRWDZBQOSA-N 433.578 1.989 0 40 IDAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(-n2cccn2)cc1 8724032 DVTOKJFONVSLFK-UHFFFAOYSA-N 426.498 1.823 0 40 IDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9540493 MWJKGTZWJWZMJU-UHFFFAOYSA-N 434.518 1.664 0 40 IDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O 9666553 VOJFAEVNTVSPJB-MGPUTAFESA-N 431.470 1.267 0 40 IDAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 11906377 ZQZXOJLVZILHDU-UHFFFAOYSA-N 438.483 1.731 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)cc1F 12085419 OYSHPAKHKUGASQ-AWEZNQCLSA-N 432.481 1.984 0 40 IDAB CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)c1 12770819 MRMJLLPRVKPKJD-UHFFFAOYSA-N 426.472 1.095 0 40 IDAB O=C(NCc1ccc(Cn2cccn2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 12924659 SIBLZFXYYFVNBQ-UHFFFAOYSA-N 440.525 1.882 0 40 IDAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)C1=CN2CCS(=O)(=O)N=C2C=C1 12976538 PDCCLJASRWADQC-HNNXBMFYSA-N 430.486 1.032 0 40 IDAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 15820268 XXEVSXOYDQBTMA-UHFFFAOYSA-N 433.440 1.692 0 40 IDAB COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(OC)cc2)n(C)c1=O 17012089 VQDYDLAGGFGJTF-UHFFFAOYSA-N 438.488 1.403 0 40 IDAB CCCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)C1=O 17271972 RHKOPVSMKVQFIU-AWEZNQCLSA-N 448.545 1.469 0 40 IDAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)C[C@H]3SC(=O)N(C)C3=O)CC1)O2 19586827 BHGKSZLEYODHRT-OAHLLOKOSA-N 433.486 1.263 0 40 IDAB CCCN1C[C@@H](C(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)cn3)CC2)CC1=O 19708349 KRWKAHRYQGVZEJ-IBGZPJMESA-N 428.533 1.519 0 40 IDAB CNc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CCNCC2)n1 19710117 CPTZFVNQYDWZSD-LJQANCHMSA-N 436.560 1.992 0 40 IDAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 19819021 JGIIIXSBYLJYHC-KRWDZBQOSA-N 433.486 1.149 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@H]([C@H](C)O)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 20546883 BUPDNDBUWANODG-BWCBDTGESA-N 439.443 1.136 0 40 IDAB CCCn1c(CN2CCN(c3ncccn3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 20681465 OJQPMCRZHARINX-UHFFFAOYSA-N 443.577 1.809 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCn3ccnc3)c2c1 21325979 WQWSRJWYBYJTAN-UHFFFAOYSA-N 431.518 1.575 0 40 IDAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1OC 22278078 XAONKDLWXFEQAX-UHFFFAOYSA-N 434.514 1.982 0 40 IDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 23248772 HUSNGKQDWCGAFS-LJQANCHMSA-N 439.512 1.831 0 40 IDAB C[C@@H](OC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C(=O)Nc1ccc2c(c1)OCO2 23818826 RHSJNJKMJYRHSV-MCMMXHMISA-N 439.424 1.753 0 40 IDAB CCCn1c(=O)n(CCC(=O)N2CCC(NS(=O)(=O)CCC)CC2)c2ccccc21 31598037 FEBQKDYRNZJMLC-UHFFFAOYSA-N 436.578 1.924 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1 31806769 DKGUGBKCGQMJFO-AWEZNQCLSA-N 448.545 1.709 0 40 IDAB COc1ccccc1-n1cnn(CN2CCN(S(=O)(=O)c3ccn(C)c3)CC2)c1=S 32935402 QZEQGNWWVCIPSZ-UHFFFAOYSA-N 448.574 1.714 0 40 IDAB Cc1cc(C)nc(SCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 32942896 JNKIMLMXDJPELN-GOSISDBHSA-N 428.514 1.696 0 40 IDAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 33939868 BSGYUIALRLVCSU-GBHCNSOCSA-N 437.540 1.921 0 40 IDAB COC(=O)c1cc(Cl)c(NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1OC 48324117 ZJLYNXWNFAVPQC-CXAGYDPISA-N 441.912 1.994 0 40 IDAB C[C@H](C(=O)Nc1ccc(Br)cc1S(=O)(=O)N1CCOCC1)n1cncn1 84069702 IWUKWFBZPSGBKP-LLVKDONJSA-N 444.311 1.261 0 40 IDAB CS[C@@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C[C@H]1N(C)C 89314092 SPPBCRHHUYYHQI-UKRRQHHQSA-N 428.352 1.679 0 40 IDAB COC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1 89914346 WWFWTKJEQCVVTF-SPLOXXLWSA-N 434.395 1.958 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 104894868 GOHXUCSULUQICZ-IBGZPJMESA-N 444.619 1.710 0 40 IDAB CCOC(=O)[C@@H]1CSCCN1C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 105769287 CHCVUBWZGSGKIK-PJSUUKDQSA-N 425.551 1.630 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O 206640845 KKOGBKDCNBEERO-UHFFFAOYSA-N 433.465 1.568 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)CN(C)S(C)(=O)=O)cc1 222740081 IMFCXSIJKNKDAH-KRWDZBQOSA-N 447.557 1.620 0 40 IDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(S(=O)(=O)NC)ccc2C)cc1 222879611 JDNUXMWXIMGAON-UHFFFAOYSA-N 425.532 1.383 0 40 IDAB COC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)c2ccccc2O1 222900268 NIJLCHAXBNJFMP-GOSISDBHSA-N 448.497 1.963 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)s1 225063311 VWGWLTUUXXGPFQ-GFCCVEGCSA-N 432.549 1.720 0 40 IDAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)C1 250672041 MXEGWLMTZZTNRV-GUYCJALGSA-N 446.456 1.167 0 40 IDAB CS(=O)(=O)Nc1ccc(NC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 607214474 GQQBNJMXWGJNJR-UHFFFAOYSA-N 437.566 1.610 0 40 IDAB Cc1cc(=O)c(O)c(C2(CC(=O)NCCn3cnc4ccccc4c3=O)CCOCC2)o1 1547139129 KDZXFRWABGYQHW-UHFFFAOYSA-N 439.468 1.618 0 40 IDAB biogenic COc1cc([C@H]2c3cc4c(cc3[C@H](O)[C@H](CO)[C@@H]2C(=O)O)OCO4)cc(OC)c1OC 4782902 XRBSKUSTLXISAB-UOWJPWOOSA-N 432.425 1.929 0 40 IDAB O=C(COc1ccccc1)NCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 8749137 UIKDKXFZJKZLEE-UHFFFAOYSA-N 433.486 1.310 0 40 IDAB Cc1ccc(Nc2nc(COC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cs2)cc1 8826080 SCEUWMRLUBCCMT-UHFFFAOYSA-N 440.485 1.686 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)c1ccc2c(c1)OCCO2 9001504 DOLGQSJSZHSZAF-UHFFFAOYSA-N 430.420 1.656 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2cccc(C)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 9974840 LERJREBRRWXADA-XIYVOTBMSA-N 437.445 1.030 0 40 IDAB NC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3ncccc32)cc1 11613204 HTBGLXLMORZVME-UHFFFAOYSA-N 435.465 1.406 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)C1 12601615 SLRRFABZUSIOOD-JZXOWHBKSA-N 438.546 1.900 0 40 IDAB CC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 12757410 OAFDGTPLIBNNSN-UHFFFAOYSA-N 428.001 1.685 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 13731505 HIGHFYZONSDZFF-OAHLLOKOSA-N 435.506 1.323 0 40 IDAB CC(C)N1CCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 19447969 FCCXTESTXGAZNA-GAJHUEQPSA-N 427.549 1.492 0 40 IDAB COCCN1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)c3cccc(F)c3)n2)CC1=O 19700978 WYYKCQLSTARFFA-INIZCTEOSA-N 429.496 1.916 0 40 IDAB CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1F)C(=O)C2 19744272 RNWUIVXQYKXEAH-LJQANCHMSA-N 439.491 1.856 0 40 IDAB COC(=O)Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2cc3c(cc21)OCO3 20936802 LJBDWZRXJXDPBA-UHFFFAOYSA-N 436.380 1.163 0 40 IDAB COc1ccc(NC(=O)NC(=O)COC(=O)C2(CC(=O)N3CCOCC3)CCCC2)cc1 23026516 CPDJGPCKKSCBRG-UHFFFAOYSA-N 447.488 1.696 0 40 IDAB CNC(=O)CSc1nnc(N2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)s1 23141781 FFSCBQHHWLYBAK-UHFFFAOYSA-N 444.542 1.994 0 40 IDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 24839444 DAWWTDIVSYPWIT-BETUJISGSA-N 442.028 1.931 0 40 IDAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)c1=O 32682504 FLKOBOWVPCDURC-UHFFFAOYSA-N 436.310 1.521 0 40 IDAB COc1ccc([C@@H](CNC(=O)CCNS(=O)(=O)c2ccccc2)N2CCOCC2)cc1 32969182 DPACNILPOHARFR-OAQYLSRUSA-N 447.557 1.553 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCN2CCOCC2)cc1Cl 39986575 AGGMHUQEJIQTHF-UHFFFAOYSA-N 433.958 1.198 0 40 IDAB O=C(NCc1cccnc1OCc1ccccc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 48324919 KCFCDQHXGPOKMZ-MOPGFXCFSA-N 443.525 1.312 0 40 IDAB Cc1noc([C@H](C)NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)n1 58157673 ZUXBEIXKCYOLSL-LBPRGKRZSA-N 449.489 1.338 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)c(Br)c1 59746053 CCYLVVLMQIINPR-UHFFFAOYSA-N 449.323 1.186 0 40 IDAB C[C@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 61984093 XNNCFLDMFTWHAO-CQSZACIVSA-N 446.554 1.614 0 40 IDAB O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CCC2(CC1)OCCO2 72329653 OZKALHKPQIBZKC-UHFFFAOYSA-N 425.445 1.429 0 40 IDAB C[C@@H](NC(=O)c1cc(C2CC2)nn1C)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 72394939 BQWDBPJGDLXGSL-CRAIPNDOSA-N 425.533 1.767 0 40 IDAB COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 79111293 SGMXETMUZWLPIM-UHFFFAOYSA-N 447.517 1.518 0 40 IDAB CCCC(=O)N1CCc2nc3cc([C@H]4CCCN(S(=O)(=O)CC)C4)nn3c(O)c2C1 100234632 FVEOJEIPTCKZSZ-AWEZNQCLSA-N 435.550 1.649 0 40 IDAB O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 101398139 UTEHXFJKOUNMJY-IYBDPMFKSA-N 436.513 1.152 0 40 IDAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OC(C)=O 214299174 PXIYLXBNDIRKSZ-GZTJUZNOSA-N 434.470 1.906 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)[C@@H]3[C@H]4CCCC[C@H]43)nc2C1 247521494 LSJXOPXAXGBVDD-NONVJHHQSA-N 434.562 1.990 0 40 IDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 409125604 DFEZPSLLPNTRFM-UHFFFAOYSA-N 435.477 1.177 0 40 IDAB Cc1c(NCc2nnc3n(C)c(=O)c4ccccc4n23)cccc1C(=O)N1CCOCC1 516368126 LJSWQRCGTVQHRP-UHFFFAOYSA-N 432.484 1.974 0 40 IDAB Cc1cc(CC(=O)N2CCC3(CC2)N(Cc2ccccc2)C(=O)[C@H]2CN(C)CCN23)on1 1772595435 WPBGBZAEXRXFEW-OAQYLSRUSA-N 437.544 1.503 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)C5CCCCC5)C[C@H]4C3)ncnc21 1888906409 KYFMLTDLNWJOEI-HZPDHXFCSA-N 434.566 1.503 0 40 IDAB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3N=CC=C[C@H]3[C@@H]2C1=O 1311022 NBMDFEYMLHFTAW-STECZYCISA-N 426.429 1.933 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc2c1=O 4766425 OYIVOZLPTTXLCD-KRWDZBQOSA-N 436.512 1.996 0 40 IDAB COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3cccnc3)s2)cc1 8770751 FJCBCVAOZJUBHB-QOCHGBHMSA-N 425.470 1.551 0 40 IDAB CCN(CC)C(=S)SCC(=O)N(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8880401 XPMLUNNBXIHPAX-UHFFFAOYSA-N 449.602 1.880 0 40 IDAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 9464139 PBFJDVDUZUUBRL-CMDGGOBGSA-N 444.465 1.642 0 40 IDAB O=C(NCCCN1CCCC1=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 9519449 JYRMDBBCZGDIIT-UHFFFAOYSA-N 438.528 1.965 0 40 IDAB O=S(=O)(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 9570286 CYZHFNRHXKDLDH-UHFFFAOYSA-N 427.523 1.256 0 40 IDAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 9660370 UTOKROUYNDJDPD-UHFFFAOYSA-N 444.517 1.719 0 40 IDAB C[C@@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1S(=O)(=O)c1ccc(F)cc1 10119336 JYAXGMOCPRYWQC-CQSZACIVSA-N 440.518 1.987 0 40 IDAB CC(C)C[C@@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)C(=O)NCC(N)=O 12656085 GERRPKWGPQXGKB-GOSISDBHSA-N 432.521 1.168 0 40 IDAB biogenic COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C(=N)O)CC3)C2)c1 13566427 CFELAXJHHUBQJI-HNNXBMFYSA-N 439.534 1.878 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 13858162 ZJHPZGCABPTMGC-UHFFFAOYSA-N 448.545 1.704 0 40 IDAB Cc1ccc2c(COC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)cc(=O)oc2c1 14076576 USRMIIBHHZUEMB-AWEZNQCLSA-N 432.454 1.310 0 40 IDAB CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OCc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 15250450 NLYXGZTYODRENV-MJCUULBUSA-N 438.429 1.286 0 40 IDAB in-vitro O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCOCC1 15485244 YEUYDVIVROSDQO-QFIPXVFZSA-N 443.569 1.734 0 40 IDAB O=S(=O)(c1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 15884134 RVMLHBWOCNLBDB-UHFFFAOYSA-N 439.476 1.861 0 40 IDAB COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3c(C)nn(C)c3C)c(=O)n12 17102263 QWJJUGWLQHRWNT-OOFGAGIJSA-N 438.509 1.209 0 40 IDAB CCOC(=O)[C@@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C 17296776 TWKAJKABRORCLA-CYBMUJFWSA-N 429.502 1.895 0 40 IDAB CC(C)OC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 18263573 VXSHHVJGIDDAPL-UHFFFAOYSA-N 441.502 1.743 0 40 IDAB Cc1cnc(C(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)cn1 19702712 DMTFKNNFWHEBOV-OAHLLOKOSA-N 427.486 1.331 0 40 IDAB CNc1nc([C@H]2CCCCN2CCC(=O)N2CCOCC2)nc2c1CN(C(C)=O)CC2 19710388 UBPPWSREEVPVSF-LJQANCHMSA-N 430.553 1.199 0 40 IDAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 22509240 BCJYJZUTUBSWQN-GOSISDBHSA-N 437.591 1.837 0 40 IDAB O=C1NC[C@@H](CCC(=O)N2CCc3ccccc32)N2C[C@@H](NCc3ccc(CO)o3)C[C@@H]12 22936729 FRIAXLRMRSBFFT-SVMVAKDDSA-N 438.528 1.172 0 40 IDAB biogenic,in-vitro COc1ccc(CN2CCN(C(=O)Cc3c(C)nc4nc(N)nn4c3C)CC2)cc1F 24637977 NXLZNHVJPJVVAZ-UHFFFAOYSA-N 427.484 1.358 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)NC(=O)NC1CCCC1 35459484 NTLHVBBLSXFYFH-UHFFFAOYSA-N 448.589 1.640 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 36365628 WQDVAYHAHHYPHS-OAHLLOKOSA-N 444.513 1.887 0 40 IDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 57315537 QCEHNPABQYALKA-GOSISDBHSA-N 449.598 1.792 0 40 IDAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC1)O2 72328089 OYBMJQRZKQOYGH-XCGNWRKASA-N 448.541 1.403 0 40 IDAB CCNS(=O)(=O)c1cc(/C=C/C(=O)NC2(C(=O)O)Cc3ccccc3C2)ccc1OC 95424511 JNUSKEGSFJMIKN-PKNBQFBNSA-N 444.509 1.745 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(OC)c(OC)c4)[C@H]3C2=O)cc1 101165967 RTYYFXIMHRVRMH-RBUKOAKNSA-N 439.428 1.644 0 40 IDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 102311409 CVUVYLAGNMYYGE-YXUGBTPSSA-N 429.498 1.217 0 40 IDAB CCN(CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223062496 ZTCQSBJYWARZGH-UHFFFAOYSA-N 439.559 1.100 0 40 IDAB CNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)[C@@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 245227128 BHFZYJRIBUYLBS-OSAVLUCMSA-N 429.542 1.594 0 40 IDAB COc1cccc(N2C(=O)[C@@H]3C=C[C@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C[C@H]3C2=O)c1 248153344 XQNXNMMTUFNFLS-DFQSSKMNSA-N 446.463 1.702 0 40 IDAB Cc1nc([C@H]2CCN(C(=O)CN3CCCC3=O)C2)nc2c1CC(=O)N2CCc1ccccc1 257202839 ANQUYCXBOVYPCK-IBGZPJMESA-N 447.539 1.855 0 40 IDAB COc1ccc(OC)c(-c2cc(C(=O)NC3CCN([C@@H]4CCS(=O)(=O)C4)CC3)n[nH]2)c1 390830023 IFEXMJLOBXROQX-OAHLLOKOSA-N 448.545 1.475 0 40 IDAB O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5ccccc5CS(=O)(=O)N5CCCC5)[C@@H]4[C@H]3[C@@H]12 503548743 RIYMNXRGLAFPML-RPOKIZPRSA-N 426.538 1.555 0 40 IDAB COc1ccc(C(=O)CN(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1OC 575421511 IUPHGCDKHMVXLQ-SFHVURJKSA-N 440.562 1.098 0 40 IDAB O=C(O)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1 575421636 KGVRYLUVFRKLNF-LBPRGKRZSA-N 440.337 1.492 0 40 IDAB C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1617374149 YDPMUDYQIPWYCY-KXBFYZLASA-N 442.491 1.478 0 40 IDAB CNC(=O)c1cccc([C@@H]2CNCCN2CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1848354038 XYZYXAUISMJPJS-QFIPXVFZSA-N 439.535 1.480 0 40 IDAB CC(=O)N1CCC2(CCCC[C@H]3CN(C(=O)C(C)C)CC[C@H]3NC(=O)CNC2=O)CC1 2037844071 NEYHIMQVFKANOT-RBUKOAKNSA-N 434.581 1.295 0 40 IDAB O=C(CC1CCOCC1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243140 LZFZZWNWPYXKFV-KRWDZBQOSA-N 433.530 1.248 0 40 IDAB CC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C3\C(=O)Nc4ccccc43)c(=O)n12 2699436 IZKAOEVHZXAETM-PZEXXVHVSA-N 431.473 1.597 0 40 IDAB O=C(CSc1nnnn1-c1ccccc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 3323499 YDZLKNCFFSJVCZ-GOSISDBHSA-N 443.554 1.970 0 40 IDAB CC(C)[C@H](C(=O)N1CCOCCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O 4018327 POTTZAFHTAXLOH-HXUWFJFHSA-N 448.516 1.216 0 40 IDAB COc1ccc(Cl)cc1-c1ccc2c(c1)C(=O)N1CCN(C(=O)CO)C[C@@H]1C(=O)N2 4235981 HLLLCPXNXAICDZ-QGZVFWFLSA-N 429.860 1.613 0 40 IDAB biogenic,in-vitro O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N[C@@H]1CS(=O)(=O)C[C@@H]1O 8764456 QYEJYNLGGVATQN-MSOLQXFVSA-N 429.450 1.113 0 40 IDAB biogenic O=C(CN1C(=O)c2ccccc2C1=O)OCc1cc(=O)n2cc(Br)ccc2n1 9283580 WKUATNFSYLBPRQ-UHFFFAOYSA-N 442.225 1.796 0 40 IDAB CN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@H]1CCS(=O)(=O)C1 9464609 MPTFCRRZNXUKDY-IBGZPJMESA-N 448.566 1.693 0 40 IDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1 9600299 CKWWPAJXNHRGCO-QGZVFWFLSA-N 437.905 1.120 0 40 IDAB CCOC(=O)Cn1c(C)cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 10233587 VFTOCYINHNAQEG-UHFFFAOYSA-N 429.864 1.723 0 40 IDAB CN1CCN(n2c3c(c(SCC(=O)Nc4ccc5c(c4)OCO5)nc2=O)CCC3)CC1 10255091 DYRXFDAMMJMJIQ-UHFFFAOYSA-N 443.529 1.075 0 40 IDAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2ccc(Br)cc2)N(C)S(=O)(=O)N1 12131250 RTOLRMDBMARRNA-GJZGRUSLSA-N 442.339 1.709 0 40 IDAB COc1ccc(C2=NN(C(=O)CN(C)CC(=O)N3CCOCC3)[C@H](c3ccco3)C2)cc1 12684123 SMONKWBWKXUYKR-FQEVSTJZSA-N 440.500 1.757 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 12738457 OVPQVBJXCRDQIR-HDICACEKSA-N 429.608 1.914 0 40 IDAB CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)CCO)c(=O)c2cc3c(cc21)OCO3 12895126 HYHGFAFIFHZITA-INIZCTEOSA-N 431.489 1.345 0 40 IDAB biogenic CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3N=CC[C@@]3(O)C(F)(F)F)C2)c(C)n1 17101268 VPJSUTRZBAGHIW-SWLSCSKDSA-N 437.444 1.081 0 40 IDAB O=C(C1CCOCC1)N1CCc2nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)nc(O)c2C1 19014490 PFEVNYMMMFQRFH-LJQANCHMSA-N 444.532 1.379 0 40 IDAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccccc1 19077921 QYQRZQRUNLAIGL-HNNXBMFYSA-N 445.570 1.875 0 40 IDAB COc1ccccc1N(C[C@H](O)CN1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1 19361185 ASQQCDWLPORCLY-LJQANCHMSA-N 433.574 1.807 0 40 IDAB COCCN1C[C@H](C(=O)N2CCC(C(=O)c3cnn(-c4ccccc4)c3N)CC2)CC1=O 19593341 VECCYHCTEBFINR-QGZVFWFLSA-N 439.516 1.371 0 40 IDAB COc1ccc(NC(=O)c2cnc([C@H]3CCCN(C(=O)CNC(C)=O)C3)nc2C)cc1 19765443 MFLIJJXMIDXPKC-INIZCTEOSA-N 425.489 1.888 0 40 IDAB OC[C@@H]1O[C@H](CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@@H](N2CCOCC2)[C@@H]1O 20464680 AZJJGOQOFMAZJT-UEQSERJNSA-N 448.510 1.788 0 40 IDAB biogenic,in-vitro Cc1ccc(NC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 22327346 VMVISXBHQLFYNL-UHFFFAOYSA-N 445.545 1.765 0 40 IDAB CN1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)CC1 22768374 QTXFXSDNBAQWOF-OAHLLOKOSA-N 428.493 1.532 0 40 IDAB COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 30940097 BWHRGDJBUNONHP-IBGZPJMESA-N 447.513 1.619 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccn4c(=O)c3C=O)CC2)cc1 32826102 YZNBJOPOFMZANA-UHFFFAOYSA-N 428.470 1.027 0 40 IDAB C[C@@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2)c1ccc(S(C)(=O)=O)cc1 69560039 WZWPDHZFOOGAOX-LLVKDONJSA-N 447.498 1.276 0 40 IDAB CCN1CCN([C@@H](C)CNC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)CC1 95993675 DLADIQLVBAGXPU-BXKMTCNYSA-N 439.560 1.270 0 40 IDAB O=C1C[C@H](N2CCC(NS(=O)(=O)c3cccs3)CC2)C(=O)N1Cc1ccccc1 102616753 GMEBCTAJIFVAGZ-KRWDZBQOSA-N 433.555 1.819 0 40 IDAB Cn1c(=O)c2c(nc(S)n2Cc2cccc(I)c2)n(C)c1=O 103124884 QFFZJIYRRMQMID-UHFFFAOYSA-N 428.255 1.375 0 40 IDAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)CC1 104346223 COWKZIPAMUPNCH-QGZVFWFLSA-N 446.456 1.167 0 40 IDAB CC(C)C[C@H](C(=O)N(C)C[C@H](O)COCCOC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 107067723 HFWAGDMXHQTNFB-LWYYNNOASA-N 438.565 1.613 0 40 IDAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)C1(C)CCN(c2ncccn2)CC1 257230700 GDMBZWLOJYIZEM-HXUWFJFHSA-N 436.560 1.542 0 40 IDAB CN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257253021 JXGOIJGPAOXJIF-JBYIUTFZSA-N 447.967 1.332 0 40 IDAB Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)c1 408614754 HGWSNKNGJJZGRY-SJORKVTESA-N 425.485 1.862 0 40 IDAB Cc1nnc2ccc(N3CCCN(C(=O)Cn4nc(-c5ccccc5)ccc4=O)CC3)nn12 1775972448 GUOWRQRXQMBRGO-UHFFFAOYSA-N 444.499 1.395 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2C[C@@H]3CN(c4nccs4)C[C@@H]3C2)cc1 1888909526 OPQWRMJHBDFONG-OKILXGFUSA-N 432.527 1.553 0 40 IDAB COC(=O)[C@@H](C)[C@@H]1c2cc(Br)ccc2OC(=O)[C@H]1C(=O)N1CCOCC1 4302010 BGMDJXVXRCLPGC-COLVAYQJSA-N 426.263 1.736 0 40 IDAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 9128438 ZTRTXUDQXQOWFP-UHFFFAOYSA-N 445.570 1.504 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 9195880 ZPBBBYDTFPDTKS-DOPJRALCSA-N 427.457 1.857 0 40 IDAB Cn1c(=O)c2c(SCC(=O)Nc3nccs3)nc(-c3ccco3)nc2n(C)c1=O 9411468 AHTCYIHDJWJEHJ-UHFFFAOYSA-N 430.471 1.475 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 9512319 KKUPDGHIIRDZFX-NRFANRHFSA-N 429.498 1.675 0 40 IDAB COc1ccc(CC(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)cc1 12129611 BJDNYJNVFXMIDS-OAHLLOKOSA-N 429.502 1.485 0 40 IDAB O=C(O)COCC(=O)Nc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 12375891 PCBDUWJVPKGCAE-UHFFFAOYSA-N 425.441 1.325 0 40 IDAB NC(=O)N[C@@H](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 12633361 AVPVKZYQMFODMF-AWEZNQCLSA-N 441.307 1.835 0 40 IDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 15899635 JKJSAHRVLZNIEH-HUUCEWRRSA-N 442.509 1.793 0 40 IDAB CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCN1CCOCC1 16742334 HYQFLYPUPITGTK-RUZDIDTESA-N 445.475 1.801 0 40 IDAB CC(C)(CNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)CNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 17098969 BWDKSEMRRGORJK-KJUMLMGVSA-N 434.533 1.739 0 40 IDAB Cc1cc(C)cc(N2C(=O)C[C@@H](N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)C2=O)c1 22528148 JNKVSZDCYLZMSB-KNQAVFIVSA-N 449.507 1.920 0 40 IDAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCCN2CCOCC2)c2ccccc21 22628312 BGIGKHSKPSUKIW-UHFFFAOYSA-N 428.533 1.531 0 40 IDAB COc1ccc2cc(C(=O)OCC(=O)NCc3ccccc3S(=O)(=O)N(C)C)[nH]c2c1 27248555 GCICHIJGDGZEGT-UHFFFAOYSA-N 445.497 1.900 0 40 IDAB O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)C1 31772912 ZYWHRZPIJUSNHU-KRWDZBQOSA-N 441.552 1.399 0 40 IDAB COc1cccc(NC(=O)CN(C)C(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)c1 32826941 OBLMECKWNYEDHD-UHFFFAOYSA-N 425.489 1.917 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)OCc2nc(N)nc(N(C)C)n2)c(C)c1 32901729 BKEJHRWQEGUMRU-OAHLLOKOSA-N 448.549 1.342 0 40 IDAB CC(C)(C)NC(=O)[C@H]1N(C2CC2)C(=O)[C@H]2[C@@H](C(=O)NCc3cccs3)[C@H]3C=C[C@]21O3 35313249 FVPQTNDTWVLOFT-HGRWERBWSA-N 429.542 1.592 0 40 IDAB CCOC(=O)CNC(=O)CN1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 35598351 CIWRBNPMPCDDIZ-UHFFFAOYSA-N 449.555 1.882 0 40 IDAB CN(C)C(=O)COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)NC3CC3)o2)n1 36365734 DATLYTRPKOBCEY-UHFFFAOYSA-N 432.458 1.904 0 40 IDAB O=C(O)CN1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C[C@H]2[C@H]2Sc3[nH]c(=O)sc3[C@H](c3ccco3)[C@H]12 40205457 VEAZGPPZOQXRGA-USSAXZKLSA-N 432.479 1.587 0 40 IDAB O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(N2CCOCC2)cc1 102128401 XCDVXHZMVBBPNJ-KDURUIRLSA-N 443.500 1.570 0 40 IDAB C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 105347266 WOVDBFKGXHXRMP-BYWWRHNPSA-N 443.862 1.781 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 225434504 ZBONPUAENCWDOG-MRXNPFEDSA-N 435.521 1.918 0 40 IDAB CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 225958112 CFLGRCWRJLKUCK-IBGZPJMESA-N 431.514 1.379 0 40 IDAB CN1CCN([C@H]2CC[C@](CNC(=O)Cn3ccnc3)(c3ccccc3)CC[C@@H]2O)CC1 257257583 KQGPRYXZOJRRBP-FIXSFTCYSA-N 425.577 1.488 0 40 IDAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408652855 DDLNBMFQYOMEJQ-RUUSSUOPSA-N 428.441 1.375 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 409393773 XZDQCIYWKNHQMQ-NSHDSACASA-N 438.333 1.961 0 40 IDAB O=C(c1cnc(O)n(-c2ccc(F)cc2)c1=O)N1CCN(c2ccc(C3CC3)nn2)CC1 575618556 CRVMDBMUBSLRRL-UHFFFAOYSA-N 436.447 1.707 0 40 IDAB CCCCN1CCOc2ccccc2C(=O)N[C@@H](C(=O)O)CC(=O)N[C@H](CC(C)C)C1=O 643551276 YXRCQUUYSGRONL-QZTJIDSGSA-N 447.532 1.812 0 40 IDAB NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc3c(Br)cnn3c2)cc1 1533973658 MLADTHVZRMVOOA-UHFFFAOYSA-N 430.262 1.242 0 40 IDAB Cc1ccc(CN2C(=O)[C@@H]3[C@@H](C(=O)NC4CC4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 1380958 PMOHSBMXAZPEMG-RZFRIWOHSA-N 449.551 1.983 0 40 IDAB CCOc1ccc(S(=O)(=O)NCCO)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1 2290832 ZYXYEWKVTATYOK-UHFFFAOYSA-N 449.533 1.290 0 40 IDAB CC(=O)OC[C@H]1O[C@](COC(C)=O)(OCc2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4721289 OHRHZBQVAOMZNX-ANULTFPQSA-N 438.429 1.288 0 40 IDAB Cc1ccccc1OC[C@H](O)Cn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C 7425573 FXRRITUYFQVAIR-MRXNPFEDSA-N 427.505 1.408 0 40 IDAB COc1ccccc1-n1cnnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 8720737 DPQJSAUYKNHYIZ-UHFFFAOYSA-N 429.502 1.556 0 40 IDAB Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 8994329 KWLPYVYGJQXOIU-UHFFFAOYSA-N 446.510 1.998 0 40 IDAB CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCC2)CC1 9636910 JEAQIQBZKYPGLF-UHFFFAOYSA-N 436.578 1.588 0 40 IDAB CC(C)[C@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc2ccccc2[nH]1 9644898 PUKFPTYNWSLBKQ-KRWDZBQOSA-N 437.504 1.604 0 40 IDAB COCCNC(=O)NC(=O)CSc1nnc(N2CCC(C)CC2)n1C[C@H]1CCCO1 11748056 CDWQKUKJBIZOIG-OAHLLOKOSA-N 440.570 1.258 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cc(=O)[nH]c3ccccc13)n2CC 12519828 PTJCUUOQARJPCN-UHFFFAOYSA-N 437.456 1.905 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1C(N)=O 12928391 UBARFVJRFDPMSP-UHFFFAOYSA-N 445.328 1.578 0 40 IDAB NS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1 13302785 VKQHZFOQEFQMFV-UHFFFAOYSA-N 442.474 1.964 0 40 IDAB COC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3ccc(I)cc3)C2=O)C1 13714407 VDXLWCZHWQJMLG-CQSZACIVSA-N 442.169 1.209 0 40 IDAB COc1cccc(NS(=O)(=O)c2cc(N3C(=O)[C@@H](C)CS3(=O)=O)ccc2OC)c1 13734440 NHTMUVAIPOSNFT-LBPRGKRZSA-N 440.499 1.817 0 40 IDAB COCCn1cnc2c1c(=O)n(CC(=O)N[C@H](C)C(C)C)c(=O)n2Cc1ccccc1 14073136 WAQXQBARLBLQSM-MRXNPFEDSA-N 427.505 1.215 0 40 IDAB COc1ccc([C@H](CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)N(C)C)cc1 14119107 WUNJDQSNKNPEHC-SFHVURJKSA-N 430.530 1.543 0 40 IDAB CCOP(=O)(OCC)OCC(=O)NCCNC(=O)COP(=O)(OCC)OCC 16688028 NDTIOEKWICNAPQ-UHFFFAOYSA-N 448.346 1.614 0 40 IDAB CC1CCN(C(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)CC1 17245842 WWBGOLWUCZPYEA-UHFFFAOYSA-N 440.529 1.585 0 40 IDAB COCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O 19824853 ZDUGQLASATXPTQ-UHFFFAOYSA-N 434.562 1.192 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(S(=O)(=O)c2cccs2)CC1 20745195 KWPNEQSTLORKKN-CQSZACIVSA-N 437.518 1.773 0 40 IDAB CC(C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 36576369 JAWMUUFGZPJACF-CHWSQXEVSA-N 439.563 1.121 0 40 IDAB CC(C)NC(=O)[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 36719579 CNHVRDWUQCTIEA-BPYKYCOYSA-N 434.540 1.264 0 40 IDAB COC(=O)c1sccc1NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 40149929 ZXTPOBRARDXJFI-UHFFFAOYSA-N 434.499 1.833 0 40 IDAB O=C(Nc1nnc([C@H]2CCCO2)s1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 44891447 NKPZWJMVXKFCLE-JKSUJKDBSA-N 431.518 1.981 0 40 IDAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nnc([C@H]2CCCO2)s1 44901218 OHFMAWNUPLTSOM-OAHLLOKOSA-N 434.497 1.999 0 40 IDAB CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1 72260168 QGXRZUHDRYQDML-UHFFFAOYSA-N 448.886 1.323 0 40 IDAB CS[C@@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C[C@@H]1N(C)C 89314094 SPPBCRHHUYYHQI-DZGCQCFKSA-N 428.352 1.679 0 40 IDAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]32)cc1 102442245 NGRMHTNKLNULNF-QZTJIDSGSA-N 439.403 1.934 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222422069 POJYJBAODSCZBZ-OAHLLOKOSA-N 429.498 1.303 0 40 IDAB NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1 257314216 UVVXJUONXAFNHN-HSZRJFAPSA-N 425.508 1.388 0 40 IDAB COc1ccccc1CN1CC[C@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 306130943 JSZGQWHECQQSGO-QFIPXVFZSA-N 439.541 1.774 0 40 IDAB COCCN(CCOC)C(=O)c1nc([C@@H]2CCCN(S(C)(=O)=O)C2)n2ccccc12 306132092 KYDNXUASCVDOFT-MRXNPFEDSA-N 438.550 1.208 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(Br)c2)cc1 408713169 MOZUABAPHYNKKT-UHFFFAOYSA-N 440.319 1.954 0 40 IDAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ccccn3)n2C)cc1 409171159 ZENCUSNUFBHJCX-UHFFFAOYSA-N 426.502 1.808 0 40 IDAB O=C(COc1ccccc1)N1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 604381756 MZFMRXWKRHVETJ-GOSISDBHSA-N 439.487 1.642 0 40 IDAB biogenic,in-vitro O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 681675957 NISUOKQJHXLDHU-JOCHJYFZSA-N 441.509 1.444 0 40 IDAB Cc1cc(N2C[C@H]3CN(C(=O)c4ccc(S(=O)(=O)N5CCCC5)cc4)C[C@@H]3C2)ncn1 1775975148 ANOGUAXSKWFZCK-OALUTQOASA-N 441.557 1.778 0 40 IDAB Cc1nnc(SCCn2c(N3CCCCCC3)nc3c2c(=O)n(C)c(=O)n3C)s1 812629 NIWRXFOVBACSPW-UHFFFAOYSA-N 435.579 1.766 0 40 IDAB CCOC(=O)C1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)CC1 8775061 RGJMJVCGHKMJFZ-UHFFFAOYSA-N 439.516 1.570 0 40 IDAB CCOc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(=O)OC)c(=O)n2C)cc1 9156994 ICRJCTROUDGYPM-ZDUSSCGKSA-N 427.461 1.256 0 40 IDAB CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O)[C@@H]1CCS(=O)(=O)C1 9665597 RVAVOCWUGQBIKN-VLIAUNLRSA-N 433.486 1.235 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 9883668 HNQJGTIUOMEYCP-KGLIPLIRSA-N 447.513 1.960 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2ccccc2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 9974859 KJHQVFWBNCVROC-JRSUCEMESA-N 437.445 1.030 0 40 IDAB Cc1cc(OCC(=O)N[C@H](C(=O)NCCC(=O)O)C(C)C)c2c3c(c(=O)oc2c1)CCC3 11866870 MMLGYLURLBDWNW-NRFANRHFSA-N 444.484 1.701 0 40 IDAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCC(C(N)=O)CC1)CC1(CCOCC1)O2 12086918 XDTFDNWRPZQHNS-INIZCTEOSA-N 429.517 1.491 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCc2ccccc2)cc1 12140198 OIBNXAHYQZNKOS-FQEVSTJZSA-N 445.541 1.207 0 40 IDAB OCc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](N3CCC(Cc4ccccc4)CC3)[C@H]2O)o1 12483435 IPKUJUNCJHVHQN-ZSXJVMONSA-N 428.529 1.669 0 40 IDAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)Cc3ccccc3)CC2)cc1OC 12784473 MYYOCKDYCHAXQE-UHFFFAOYSA-N 447.557 1.669 0 40 IDAB CCC[C@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O 13097751 YXXRDPQGCKZYGJ-LJQANCHMSA-N 430.530 1.824 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 14120440 RNKRFABOHXGALF-UHFFFAOYSA-N 427.429 1.397 0 40 IDAB O=C(N1CCOCC1)N1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 14302774 RNHXHRKNYYVWDT-UHFFFAOYSA-N 427.288 1.617 0 40 IDAB O=C(CNC(=O)Nc1cccc(Cl)c1)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O 16478750 WHBMOKUGGNCTKW-MRXNPFEDSA-N 432.864 1.390 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 17066792 ZWGRMCZQVHWSNE-UHFFFAOYSA-N 436.490 1.626 0 40 IDAB CCN(CC)S(=O)(=O)N1CCC(c2nc(CN(C)C(C)=O)cc(N(C)C)n2)CC1 19752051 KDHZYUBHVLNDDH-UHFFFAOYSA-N 426.587 1.287 0 40 IDAB CNCc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)n1 19760899 TUBSZBHNNHAWPH-GOSISDBHSA-N 444.561 1.307 0 40 IDAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)OCCO2 20110607 QZLIWMCAVBAZOQ-UHFFFAOYSA-N 448.482 1.849 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)CC1 20244659 YZJQCQTVEVKJQR-UHFFFAOYSA-N 426.539 1.217 0 40 IDAB O=C1S/C(=C2\C(=O)N(CN3CCOCC3)c3ccccc32)C(=O)N1CN1CCOCC1 31771895 SWZLWOBEWONNOD-ZCXUNETKSA-N 444.513 1.019 0 40 IDAB COc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1OC 32615439 NCMXKDHOSQKBPV-UHFFFAOYSA-N 447.451 1.609 0 40 IDAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 32722656 UKNPDTAIHDDWIS-SNAWJCMRSA-N 437.972 1.517 0 40 IDAB COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F)C(=O)OC 36579816 JVLAOMGRSXSNLH-RHSMWYFYSA-N 438.843 1.964 0 40 IDAB CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)cc1 48287707 KKSWZGNMHYFQDS-UHFFFAOYSA-N 444.556 1.140 0 40 IDAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ncccc32)c(OC)c1 57293430 XZQJVVOIGHHICE-UHFFFAOYSA-N 436.424 1.855 0 40 IDAB O=C(NCc1cccnc1N1CCCCC1)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 69841021 KUUAYHGDHSRDJR-UHFFFAOYSA-N 439.501 1.697 0 40 IDAB CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)C1 72280660 YKYITWJETCCBSL-AWEZNQCLSA-N 436.559 1.819 0 40 IDAB C[C@H](C(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)n1nnc2ccccc21 72325735 MIEGVUQNOWIOAC-CQSZACIVSA-N 426.502 1.715 0 40 IDAB Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccco2)cc1 100229906 WILNNEXLSOHUSY-LJQANCHMSA-N 448.357 1.626 0 40 IDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21)Nc1cc(F)ccc1F 101352892 RRFGCGIFDIMFEG-ROUUACIJSA-N 443.366 1.668 0 40 IDAB COc1ccc(CN2CC3(C2)C(=O)N(Cc2ccccc2F)C(=O)[C@@H]2C[C@@H](O)CN23)cc1 225389832 FLLHIZQHVYSVJD-NQIIRXRSSA-N 439.487 1.393 0 40 IDAB biogenic,in-vitro CCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1 225882299 PABATJJBEAYGTH-UHFFFAOYSA-N 427.578 1.946 0 40 IDAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1O2 248127466 MCRDORIAGVSXFF-SGXKBVARSA-N 449.573 1.126 0 40 IDAB CN1CCN(C(=O)c2cn3cccnc3n2)C[C@@H]1C(=O)NCc1ccc2c(c1)CCCO2 257245819 IREQMUYGNXLGAC-LJQANCHMSA-N 434.500 1.127 0 40 IDAB O=C(C1CCOCC1)N1CCC[C@@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 306141290 VQRNCFVDQXEYIL-WMZHIEFXSA-N 427.549 1.474 0 40 IDAB Cc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 408616529 ZJAUKGOMXMLKBF-IAGOWNOFSA-N 425.485 1.862 0 40 IDAB CC(C)n1cc2c(n1)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)CC2 501025224 PRMUPGGYFIRKRM-AWEZNQCLSA-N 426.926 1.817 0 40 IDAB C[C@H]1C(=O)Nc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN(C)C)ccc2N1C 510705849 SSAUQJPRDNTOPL-JXFKEZNVSA-N 437.544 1.482 0 40 IDAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 575423115 OFRYEYYAWCKBIS-MSOLQXFVSA-N 444.575 1.924 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 3486991 SVJSTRYKHJLELG-UHFFFAOYSA-N 428.507 1.920 0 40 IDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 8987070 JKRXVSLMUSAUSQ-KSFYIVLOSA-N 425.441 1.418 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nnc(Cc3ccccc3)o2)cc1 9125798 PTCVEDKVQUKCBF-UHFFFAOYSA-N 432.527 1.759 0 40 IDAB CCOCCn1c(=O)c2c(nc3n(-c4cc(OC)ccc4OC)c(C)c(C)n23)n(C)c1=O 9713128 WXGDWGACOTWSGE-UHFFFAOYSA-N 441.488 1.809 0 40 IDAB COCCn1cnc2c1c(=O)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n2CC(C)C 10579506 QFESEDAVHZAHAQ-UHFFFAOYSA-N 433.896 1.954 0 40 IDAB NC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1 12052038 ZKMQGWQUOHYFIH-OAQYLSRUSA-N 441.553 1.919 0 40 IDAB COc1ccccc1CCC(=O)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 12322472 RMHDZCWAOBDJKU-UHFFFAOYSA-N 430.486 1.697 0 40 IDAB COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c1 12391428 DOZLHMNPNWLFGP-UHFFFAOYSA-N 432.458 1.387 0 40 IDAB Cn1c(=O)n(CCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c2ccccc21 12734932 RNMIHWUKMNACSN-UHFFFAOYSA-N 446.504 1.402 0 40 IDAB O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1cccc(Br)c1 12787502 HGAUUVFIPKWMGA-UMVBOHGHSA-N 430.324 1.795 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](CCSC)C(=O)O 12889854 PZDCDLRIQOKDII-MRRJBJDNSA-N 436.534 1.892 0 40 IDAB biogenic O=C(NCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C1CCCCC1 12908400 AKYWMZLHYOETDY-UHFFFAOYSA-N 429.489 1.494 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 14230152 OUAKJLIAWKGOSV-UHFFFAOYSA-N 442.515 1.526 0 40 IDAB C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)OCCO2 14250548 QXOXMYVHDUAWKE-JTQLQIEISA-N 440.861 1.943 0 40 IDAB Cc1cc(C)n(C)c(=O)c1C(=O)NCCc1cc(N2CCOCC2)nc(N2CCCC2)n1 19572261 RKEKFAWQRVYUOL-UHFFFAOYSA-N 440.548 1.201 0 40 IDAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@H]1C(=O)NCCCN1CCOCC1 20609985 ZOTBCWGYVUOQSL-NQIIRXRSSA-N 449.573 1.891 0 40 IDAB biogenic CCCCc1ccc(NC(=O)Cn2nc([C@@H]3CCCN(S(C)(=O)=O)C3)n(C)c2=O)cc1 23141202 NLVXSOUNGKHTJI-QGZVFWFLSA-N 449.577 1.702 0 40 IDAB O=C(Nc1snnc1C(=O)N1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33435758 ZDILWHZPLBXACU-KGLIPLIRSA-N 428.518 1.977 0 40 IDAB CCCN(CC(=O)N(C)C)CC1=C(C(=O)OCC)[C@@H](c2ccc(OC)cc2)NC(=O)N1 40157236 QEKBKFMJXMVVTC-HXUWFJFHSA-N 432.521 1.667 0 40 IDAB CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)cc21 62581008 ZTXUJFHVCOXFKC-UHFFFAOYSA-N 444.513 1.948 0 40 IDAB COCCCNC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc21 71772588 CHUITELVRCJXBO-HNNXBMFYSA-N 436.534 1.112 0 40 IDAB NC(=O)C1CCN(c2nc(N3CCOCC3)nc3c2CCN(Cc2ccccc2)C3)CC1 72335698 AZLFHPMVUUMYLW-UHFFFAOYSA-N 436.560 1.573 0 40 IDAB COc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(-c4ccccn4)n(C)c3=O)[nH]n2)c1 90591005 SZFTVBRIIVGLQU-UHFFFAOYSA-N 449.471 1.481 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)C1CCN(c3cc(-n4cncn4)ncn3)CC1)CC2 96105238 RWSUZKLQTDLONK-UHFFFAOYSA-N 449.515 1.876 0 40 IDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 102840069 LOKZQFOKXNEFLC-HDICACEKSA-N 431.514 1.751 0 40 IDAB COc1ccc(CCN2CC(=O)N(c3ccc(OC)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 230099343 DSFWKBREMJZELW-RTWAWAEBSA-N 430.526 1.761 0 40 IDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245228155 HJZJGNUXRCXQFE-QRVBRYPASA-N 426.469 1.187 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1C[C@@H](C)O[C@H](C)C1 245228414 WLZOMBNZFSRRDK-CLCXKQKWSA-N 426.535 1.787 0 40 IDAB CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc(O)c4c(n3)CN(S(C)(=O)=O)CC4)C2)CC1 257239528 HPTBOHXUSOYWJN-KKUMJFAQSA-N 438.550 1.021 0 40 IDAB CCCc1onc(C)c1C(=O)N1CC2(C1)[C@@H](COc1nccc(C)n1)CCS2(=O)=O 306129012 HRIBIEVZUHIFKF-OAHLLOKOSA-N 434.518 1.742 0 40 IDAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2)CC1=O 408655216 LPJQCKXDXNLIGC-OAHLLOKOSA-N 425.441 1.679 0 40 IDAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)NCCc2sc(C)nc2C)cc1 550145417 DJUSAZZUDKZUKV-LJQANCHMSA-N 430.574 1.917 0 40 IDAB CN1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c2cccs2)CC1 574148477 UWSVJPNADITJGG-SFHVURJKSA-N 434.587 1.534 0 40 IDAB Cn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cc(F)ccc5F)C[C@@H]4C3)ncnc21 1888930349 SBOGSVPZKBDSJL-KBPBESRZSA-N 434.472 1.540 0 40 IDAB CCOC(=O)Cn1nnnc1CN(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O 925844 XWEHXXDWUBDYQL-UHFFFAOYSA-N 447.499 1.984 0 40 IDAB O=C([C@@H]1C[C@@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(-n4cccn4)cc3)[C@H]12)N1CCCCC1 8636301 HAOTVZMXKLWIHI-WAPOTWQKSA-N 441.557 1.058 0 40 IDAB biogenic,in-vitro Cc1ccc(C(=O)CCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 8929629 IFNRLRGYHQNQEU-UHFFFAOYSA-N 432.498 1.507 0 40 IDAB O=C(N[C@H](CO)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9050988 RMNFUWQGSZPCEF-NVXWUHKLSA-N 446.554 1.942 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 9539478 ZBVAFAVRNLLUIC-SFHVURJKSA-N 434.470 1.567 0 40 IDAB COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4cc(OC)ccc4OC)c(C)cn23)n(C)c1=O 9713108 BPQPMBKSEYXNHN-GFCCVEGCSA-N 441.444 1.198 0 40 IDAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)N1CCN(c2ccccc2Cl)CC1 11927524 NDZMRUJGQZVUIC-UHFFFAOYSA-N 431.924 1.666 0 40 IDAB CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1Cl 12232340 ZFVVVVAPMZDHMU-NSHDSACASA-N 442.303 1.992 0 40 IDAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 12677795 NJMRBUMMOLKPQQ-UHFFFAOYSA-N 427.473 1.548 0 40 IDAB CC(C)C[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Br)N1CCOCC1 12907950 YZAXIJFNPVKIKT-CYBMUJFWSA-N 448.383 1.573 0 40 IDAB COc1ccc(CN(C)C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 13009301 XYIDQNHWNHMPRC-UHFFFAOYSA-N 448.541 1.926 0 40 IDAB Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H](NCCCN1CCCC1=O)C2 14733536 YJUVUUPYIUNCRS-GOSISDBHSA-N 427.524 1.949 0 40 IDAB COCCNC(=O)Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CSC2 23139034 DUOQUEMBTRYCIW-AWEZNQCLSA-N 443.529 1.384 0 40 IDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 36369734 IFGOVMJYCMDUSM-JKSUJKDBSA-N 432.480 1.529 0 40 IDAB biogenic C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(CN3CCOC3=O)c2)C[C@H](C)O1 40120681 GYTFLQLLKCHAPL-GJZGRUSLSA-N 440.522 1.199 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)NCC3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1C 44003867 LVDPJUWANCAUHQ-SFHVURJKSA-N 433.574 1.977 0 40 IDAB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 49504259 OWSUJQKZRAQTFN-QGZVFWFLSA-N 437.518 1.357 0 40 IDAB CN(C)CCn1cc(NC(=O)c2ccnc(C(=O)Nc3cnn(CCN(C)C)c3)c2)cn1 97002762 QQHZTFAHANHQOC-UHFFFAOYSA-N 439.524 1.102 0 40 IDAB Cn1c(NC(=O)CN2CCC[C@@H](c3ccc(-c4ccccn4)cn3)C2)cc(=O)n(C)c1=O 100700281 VUCUHDMJTUTMGZ-QGZVFWFLSA-N 434.500 1.359 0 40 IDAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCCN(c3ncccn3)CC2)c2ccc(F)cc21 105690446 BRGRODJDSBVZCB-LJQANCHMSA-N 427.436 1.993 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1 220214861 WSWULSCSBHVFIJ-CQSZACIVSA-N 442.534 1.660 0 40 IDAB COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223330163 OIYWLCQENIHIRJ-NRFANRHFSA-N 447.557 1.411 0 40 IDAB CCSc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)s1 223791861 XREFVHWNALJWIB-UHFFFAOYSA-N 441.604 1.980 0 40 IDAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@]2(O)CCCc3cc(OC)ccc32)c1 225713271 ZVPKKQLRYPOASR-NRFANRHFSA-N 435.498 1.993 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 226020620 QKZVECAXKLZUKI-UHFFFAOYSA-N 445.950 1.816 0 40 IDAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)cc1 226654869 HEQTYXGTZHVIOU-RQXXJAGISA-N 429.425 1.741 0 40 IDAB COc1cccc(NC(=O)[C@@H]2CN(C)CC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)c1 306130051 IVBZLQJIFCXLNC-IBGZPJMESA-N 427.505 1.373 0 40 IDAB C1CC[C@@H](NCCOCCN[C@@H]2CCCC[C@@H]2N2CCOCC2)[C@@H](N2CCOCC2)C1 566953418 LZAUUWNWCIYZHY-LWSSLDFYSA-N 438.657 1.469 0 40 IDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCc4sc(Br)cc4C3)cc2[nH]c1=O 676419666 RZWZSHBJTHYXFP-UHFFFAOYSA-N 442.316 1.787 0 40 IDAB CCc1ccccc1Nc1nc(N)nc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)n1 8966149 PMAUDWXESUAXRN-UHFFFAOYSA-N 441.883 1.209 0 40 IDAB CN(C)c1nc(N)nc(COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 11276976 NZSWPDPOFQWVHX-ZDUSSCGKSA-N 440.913 1.070 0 40 IDAB Cn1c(=O)c2c(SCC(=O)Nc3nccs3)nc(-c3cccs3)nc2n(C)c1=O 11758319 VDPIDZDJMKFJFU-UHFFFAOYSA-N 446.539 1.943 0 40 IDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(CCNS(C)(=O)=O)s1)C2=O 12813042 NSQVMZZEIWPYIX-KPZWWZAWSA-N 427.548 1.523 0 40 IDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 12895351 UGURJOKPMBTJLS-UHFFFAOYSA-N 437.543 1.107 0 40 IDAB O=C(Nc1ccccc1C(=O)N1CCCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12948389 QCGZOQRXNKAWGE-OAHLLOKOSA-N 446.529 1.417 0 40 IDAB O=C(O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16021993 RTTDALGSQFWQQJ-QLBZUPSYSA-N 433.464 1.515 0 40 IDAB O=C(NCc1cccnc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 17169548 DVMCMOOVJKTNCY-GOSISDBHSA-N 431.445 1.761 0 40 IDAB C[C@H](C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2)c1ccccc1 19459296 AAWWDNALQVBQMA-KXBFYZLASA-N 444.557 1.945 0 40 IDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)Cn1cnc2ccc(F)cc2c1=O 23111144 PPZLEQWGURRJAB-UHFFFAOYSA-N 439.447 1.512 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)n1 23137035 RBISRJAGNSCFTH-GFCCVEGCSA-N 438.531 1.546 0 40 IDAB O=C(NCc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 23196576 GAABNOVYBGAXIL-UHFFFAOYSA-N 442.541 1.926 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1=O 23805966 VMYLKJIPEVLOBD-DEOSSOPVSA-N 445.479 1.880 0 40 IDAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2cccs2)CC1 34800058 CJDHZBQETZTTMI-CQSZACIVSA-N 437.543 1.853 0 40 IDAB COc1ccc(N2C(=O)CN(CCc3ccccc3OC)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 56998076 YWRONASVWLGKOR-WOJBJXKFSA-N 430.526 1.761 0 40 IDAB O=C(CN1CCN(c2ccccc2O)CC1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 57270824 LRFZEWDUYZQJSP-HXUWFJFHSA-N 443.569 1.730 0 40 IDAB Cc1cccc(C)c1OCC(=O)N[C@H](C)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1 57775009 BOEHVRISTRIMDU-IAGOWNOFSA-N 438.546 1.039 0 40 IDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(CN3CCOC3=O)cc2)C[C@@H](C)O1 58129823 YYVHDBLDQOBFOI-HUUCEWRRSA-N 440.522 1.199 0 40 IDAB C[C@@H](C(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)n1nnc2ccccc21 72325734 MIEGVUQNOWIOAC-AWEZNQCLSA-N 426.502 1.715 0 40 IDAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCN(c4ccccn4)CC3)CC2)Oc2ccccc21 72326108 DWFQXOJSNUXSTF-DEOSSOPVSA-N 449.511 1.261 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)CC1)O2 72328017 JOTXISZZKPQTCG-ZBLHWPFVSA-N 443.544 1.893 0 40 IDAB CS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3Cc4cnc(N5CCCC5)nc4[C@H]3C2)cc1 72342358 VTRJNHXGVLCKGK-MJGOQNOKSA-N 426.542 1.821 0 40 IDAB COc1cccc(S(=O)(=O)N2CC[C@@]3(CN(c4cccc(F)c4)C(=O)CN3C)C2)c1 96237996 AQNUPNFPZAEEFZ-NRFANRHFSA-N 433.505 1.946 0 40 IDAB CC(C)C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100928573 HUYQJPSECCTJSR-JQJKNKOQSA-N 431.514 1.494 0 40 IDAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccc(OC)c(OC)c1 217466051 XHBNVDUZOIFCFW-UHFFFAOYSA-N 438.502 1.981 0 40 IDAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 223536510 VPMRLYPSXXHZIM-FQEVSTJZSA-N 433.530 1.403 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CCC(F)(F)CC4)C3)C2=O)cc1 225384224 IANSWCYNPHTIMA-MJGOQNOKSA-N 449.498 1.632 0 40 IDAB biogenic,in-vitro O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@@H](Cn2nccn2)c2ccccc2)cc1 253398925 HVOULBICEZRTMX-SFHVURJKSA-N 425.470 1.651 0 40 IDAB COc1ccc(C(=O)N2CCN(CCc3ccccc3)C[C@H]2C(N)=O)cc1Cn1cccn1 257262495 LLQIHPYEXBVWSG-QFIPXVFZSA-N 447.539 1.794 0 40 IDAB CC(=O)N1CCN([C@@H]2CCCC[C@@H](NC(=O)c3cc4ccccc4nc3O)[C@H]2O)CC1 257342799 ZQFUPOCJGAOVKP-NJDAHSKKSA-N 426.517 1.506 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H](CO)c3ccc(F)cc3)c2)CC1 515700717 DNQIIPYBZBKFGU-IBGZPJMESA-N 436.509 1.617 0 40 IDAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 3216147 APMNPWBFFCAJBC-UHFFFAOYSA-N 449.504 1.936 0 40 IDAB N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O 4535897 RCMWNNJFKNDKQR-VAMGGRTRSA-N 425.485 1.065 0 40 IDAB biogenic COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)NC1CC1 8776466 IHWYQMADDBOIGQ-UHFFFAOYSA-N 448.453 1.660 0 40 IDAB Cc1ccc2c(c1)[C@@]1(N[C@H](CCC(=O)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 8790439 BMRYPTQIJUYKGS-ZHBILRMLSA-N 447.491 1.823 0 40 IDAB biogenic CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)cc1 9001108 HMHIRIVBJAUSGV-UHFFFAOYSA-N 444.451 1.599 0 40 IDAB CCCCN1C(=O)C(=O)N(CC2=C(C(=O)OCC)[C@@H](c3cccs3)NC(=O)N2)C1=O 9963034 WWJPNDNSWCEEPZ-CQSZACIVSA-N 434.474 1.510 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 10324754 IEPQTLNDNDZTST-UHFFFAOYSA-N 446.595 1.174 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H](c2cn(C)nc2C)NS(=O)(=O)N1C 12131315 RVRRFXYTTKGWNI-DZGCQCFKSA-N 427.914 1.609 0 40 IDAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 12753567 FQVZZZKHTNUAPM-UHFFFAOYSA-N 432.502 1.581 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 13097699 ANPBDXKVACGQMF-IBGZPJMESA-N 434.543 1.479 0 40 IDAB CCOC(=O)c1c(C)oc(NC(=O)CSc2nnc(-c3ccoc3C)n2N)c1C(N)=O 18525196 SHYFNDVLVLXEDR-UHFFFAOYSA-N 448.461 1.468 0 40 IDAB Cn1c(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc(=O)n(C)c1=O 19288687 BTZKCJSMMBXANL-LLVKDONJSA-N 435.406 1.999 0 40 IDAB Cc1ccccc1-c1noc(COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 23042881 PRKLDSPRNXGLLD-ZDUSSCGKSA-N 432.458 1.254 0 40 IDAB Cc1c(Cl)cccc1Nc1ccccc1C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 77319528 UOKJMFLLHHYVOM-GHHWKCCRSA-N 437.832 1.441 0 40 IDAB in-vitro CC(C)NC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCCc1ccccn1)Cn1ccnc12 96263234 VMHPYGGSWVTPLZ-GOSISDBHSA-N 426.521 1.445 0 40 IDAB O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(N2CCOCC2)cc1 101163543 QFGRRQITIPURGF-HSZRJFAPSA-N 434.540 1.973 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3ccc(F)cc3)C2)cs1 306135418 OQCKTFLHNDCUJC-OAQYLSRUSA-N 427.505 1.905 0 40 IDAB CN(Cc1ccc(OCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1)S(C)(=O)=O 408705941 QTFQGUANOUQEFY-UHFFFAOYSA-N 432.502 1.286 0 40 IDAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)N[C@@H](CC1CC1)C(=O)O 554289727 KEGUOOQSUSEYGJ-PZJWPPBQSA-N 435.480 1.869 0 40 IDAB O=S1(=O)CC[C@@H](N2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 575608590 OQXASKNGVLPVPU-CQSZACIVSA-N 426.482 1.635 0 40 IDAB CCOc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(OCC)cc1-n1cnnn1 1325384 ZBJSAWKOZPBKAV-UHFFFAOYSA-N 447.473 1.667 0 40 IDAB CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)N(C)c3ccccc32)C(C(=O)OC)=C(N)O1 2367451 HSSYOWQVFAJYFP-JOCHJYFZSA-N 444.440 1.045 0 40 IDAB CC(C)CNS(=O)(=O)c1cc(C(=O)OCC(=O)NC(N)=O)c(Cl)cc1Cl 2621865 JUCIOKODRKTIKE-UHFFFAOYSA-N 426.278 1.279 0 40 IDAB CCN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)CC(=O)NC(C)(C)C 7683276 WXYLHGQGBNBKRX-JOCHJYFZSA-N 431.537 1.198 0 40 IDAB COCCN(C(=O)c1cnc2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9253850 LCBOYTPJEGOMBA-UHFFFAOYSA-N 446.467 1.404 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3ccnc3)CC2)cc1OC 9467350 JWYCDTBMMHJAFY-UHFFFAOYSA-N 436.534 1.508 0 40 IDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9742152 LVWSKXKIFXRKQJ-IBGZPJMESA-N 433.530 1.867 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)N1CCc3sccc3[C@@H]1c1cccs1)c(=O)n2C 9744378 KEVYOMPMAFRWNA-MRXNPFEDSA-N 441.538 1.731 0 40 IDAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1O2 12086422 NZTVOXARYABQQL-PGRDOPGGSA-N 449.573 1.679 0 40 IDAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)cc1 12235020 SRBIKVFRQQZADA-UHFFFAOYSA-N 430.530 1.370 0 40 IDAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1 12521211 PYKISOWQRPCVJN-UHFFFAOYSA-N 433.530 1.948 0 40 IDAB COCCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2c(c1)OCO2 13151101 GRLKZFZQERPDEJ-UHFFFAOYSA-N 434.474 1.386 0 40 IDAB Cc1cc(C)c2c(c1)[C@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15967482 HBCVETSGEQSJJA-XVIHEJCXSA-N 446.507 1.142 0 40 IDAB biogenic COc1ccc(S(=O)(=O)NC2CCC(C(N)=O)CC2)cc1I 16226925 QWNABFMYYUZCLS-UHFFFAOYSA-N 438.287 1.622 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 16321212 QGFFRIUPODHFKF-UHFFFAOYSA-N 433.486 1.683 0 40 IDAB CNc1nc([C@@H]2CCCN(CC(=O)N3CCC(C)CC3)C2)nc2c1CN(C(C)=O)CC2 19710471 HXKAOARHEKSINO-GOSISDBHSA-N 428.581 1.861 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(C)ncc2C(=O)N2CCOCC2)cc1 19767100 YULSKJFVOXFXPA-LJQANCHMSA-N 446.529 1.792 0 40 IDAB COc1ccc(OC[C@H](O)CN2CCN(C[C@@H](O)COc3ccc(OC)cc3)CC2)cc1 19882312 AAUPHOUSNSWUKE-WOJBJXKFSA-N 446.544 1.501 0 40 IDAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCCN2CCOCC2)C(=O)[C@]31C 20609781 HKURDXBJODMVAR-QHCPKHFHSA-N 426.517 1.341 0 40 IDAB biogenic O=S1(=O)CC[C@@H](S(=O)(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)C1 31772910 ZYWHRZPIJUSNHU-QGZVFWFLSA-N 441.552 1.399 0 40 IDAB C[C@H](OC(=O)[C@@H]1COc2ccccc2C1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 32823877 FQNXNTIUYWUZON-YOEHRIQHSA-N 432.498 1.176 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1 32833835 STCDYEDNTUCPQX-UHFFFAOYSA-N 442.515 1.981 0 40 IDAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)NC1c2ccccc2-c2ccccc21 32857850 NXDBQMATDMZYSS-KRWDZBQOSA-N 425.554 1.677 0 40 IDAB O=C(NCc1ccccn1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36352653 AUACCLJXWCRARG-MRXNPFEDSA-N 428.514 1.535 0 40 IDAB CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)n1 72337234 CVGJXZOBBKCNQE-UHFFFAOYSA-N 426.521 1.147 0 40 IDAB CCN1CCN(C(=O)[C@H]2CCC(=O)NC(=O)N2)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351402 MNNRJOYGPXTWSQ-RTWAWAEBSA-N 448.523 1.944 0 40 IDAB Cn1nc(N2CCC[C@@H](C(=O)NCCn3nc(-c4cccs4)ccc3=O)C2)ccc1=O 77100966 OVEWIFKIOUUYIY-OAHLLOKOSA-N 440.529 1.098 0 40 IDAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCC[C@H](CN2CCN(C)CC2)C1 95446742 DVFAGKDCLXXONQ-LJQANCHMSA-N 431.581 1.018 0 40 IDAB Cc1nc2cc(C3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nn2c(O)c1C 100137293 OKWMFELHTDNMGX-UHFFFAOYSA-N 435.550 1.429 0 40 IDAB Cn1c(NC(=O)CN2CCC[C@H](c3ccc(-c4ccccn4)cn3)C2)cc(=O)n(C)c1=O 100700279 VUCUHDMJTUTMGZ-KRWDZBQOSA-N 434.500 1.359 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)ccc1OC 108149595 SIWBNRCQAOKXNG-UHFFFAOYSA-N 428.470 1.914 0 40 IDAB COc1ccccc1OCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225142041 KLEHONDZNPMRDL-UHFFFAOYSA-N 434.470 1.715 0 40 IDAB CCn1c(C)nc2cc(C(=O)N3C[C@@H](O)[C@H](n4ccc5c(C(N)=O)ccnc54)C3)ccc21 257209606 BRBDERRFQMSIAB-WOJBJXKFSA-N 432.484 1.871 0 40 IDAB CN1CCN(C[C@@]2(O)CCN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)C2)CC1 257330416 XOHDGSWUOHIHPG-QHCPKHFHSA-N 425.533 1.497 0 40 IDAB CNc1nc([C@@H]2CCN(C(=O)COc3ccc4c(c3)OCCO4)C2)nc2c1CN(C)CC2 257332521 XXQJTHJJXIEAOL-OAHLLOKOSA-N 439.516 1.672 0 40 IDAB CC(=O)N1CC(=O)[C@@H]([C@H](c2cccnc2)c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])C1=O 524732790 NYKSQASWADIOKX-VXKWHMMOSA-N 432.480 1.888 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)c1 1888944442 JFHTVQANJSWKMB-KBPBESRZSA-N 444.517 1.137 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4887476 PYXZXWLFAMZVPY-AVNXNWIJSA-N 447.231 1.457 0 40 IDAB C[C@H]1CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C[C@H](C)O1 9335173 AKBLHPQDPWXGFG-IRXDYDNUSA-N 446.525 1.958 0 40 IDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C 9376219 OXILDPLUTGTZJI-UHFFFAOYSA-N 447.513 1.524 0 40 IDAB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccc2)CC1 9907269 NWWBMMBNEYCLPY-UHFFFAOYSA-N 440.519 1.840 0 40 IDAB CCc1nc(SCC(=O)Nc2ccc(OC)cc2OC)c2c(=O)n(C)c(=O)n(C)c2n1 11758070 SNWMWLNTVGFLSQ-UHFFFAOYSA-N 445.501 1.338 0 40 IDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 11858200 BIOSIESXIMUWPN-GFCCVEGCSA-N 440.499 1.817 0 40 IDAB COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)cc1NC(C)=O 12521408 AVEPCIBPXWOWGN-UHFFFAOYSA-N 443.503 1.410 0 40 IDAB CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCN(C)C 12891473 UMWBQRWFAJTPSB-VLIAUNLRSA-N 444.532 1.572 0 40 IDAB biogenic O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(OC(F)(F)F)cc1 12995128 NSBURZHNRLPWTQ-UMVBOHGHSA-N 435.424 1.931 0 40 IDAB COCCN(C(=O)CCC(=O)Nc1ccc(C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13057390 ZTTITNIJSWCEGV-UHFFFAOYSA-N 445.520 1.482 0 40 IDAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccc(F)c(F)c1F 13057635 RJUJVONPUDWZPM-JTQLQIEISA-N 444.435 1.649 0 40 IDAB Cc1ccccc1-c1nnn(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 14142380 ABUZBKADVJUFFY-SFHVURJKSA-N 425.514 1.864 0 40 IDAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 16044772 MLEILEKXCDITIB-UHFFFAOYSA-N 445.541 1.423 0 40 IDAB COc1ccc(CN2CCc3c(O)nc([C@@H]4CCN(C(=O)Cn5cccn5)C4)nc3C2)cc1 19555636 KGYCMJPTHQERTC-GOSISDBHSA-N 448.527 1.962 0 40 IDAB COCCN1CCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)CC1 19590938 XQFVXGUNYGSOAK-NRFANRHFSA-N 438.532 1.163 0 40 IDAB CNS(=O)(=O)Cc1ccc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 26026323 YGVIDTBDLUUKJT-BQFCYCMXSA-N 440.591 1.078 0 40 IDAB CC(=O)c1ccc(NC(=O)CSc2nnc(CCc3c(C)[nH]c(=O)n(C)c3=O)o2)cc1 35597142 KEVFAKHAGJIELW-UHFFFAOYSA-N 443.485 1.484 0 40 IDAB COc1ccc(OCCN2CC(=O)N(c3ccc(OC)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 36592925 MSRXSRSKVDILFW-RTWAWAEBSA-N 446.525 1.597 0 40 IDAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 40023655 UPLHUIXFXLXMKG-UHFFFAOYSA-N 436.421 1.582 0 40 IDAB COC(=O)c1cc(Cl)c(NC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1OC 48324119 ZJLYNXWNFAVPQC-GUYCJALGSA-N 441.912 1.994 0 40 IDAB Cn1nnnc1-c1cccc(NC(=O)NCCS(=O)(=O)N2CCc3ccccc32)c1 58217100 QVJZEIFFYXNPKQ-UHFFFAOYSA-N 427.490 1.391 0 40 IDAB CCOc1ccccc1CN1CCC(c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)CC1 72399022 IXYVADSNGKUCJX-UHFFFAOYSA-N 446.573 1.866 0 40 IDAB Cn1cc(CN2C[C@@H]3CN(Cc4ccccn4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 96056195 UNLYIRSYMKCSQK-URXFXBBRSA-N 438.576 1.388 0 40 IDAB CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CCN(C)CC4)cc32)n1 96156462 FPIITPICGZHSLN-KRWDZBQOSA-N 432.550 1.158 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)NC[C@H]3CCCO3)CC1)O2 248327559 AEQDPZQDCBBPKE-YGKZAACZSA-N 429.517 1.552 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3nc4cc(Cl)ccc4n3C)CC[C@@H]2O)CC1 257334051 YEIIFRDMUIPTSJ-OALUTQOASA-N 433.940 1.356 0 40 IDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1O 408548003 BQRLBVYEJHOXIS-BJMVGYQFSA-N 446.197 1.461 0 40 IDAB CC(=O)NCCN(Cc1ccc(C)s1)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 669873394 BHNOPUDWHLIXHH-LJQANCHMSA-N 437.610 1.111 0 40 IDAB C[C@]1(C(=O)NCc2ccc3c(c2)C(=O)NCC3)C[C@@H](O)CN1C(=O)OCc1ccccc1 1611288255 BWAPNZQOUJWQQB-NTKDMRAZSA-N 437.496 1.751 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC(=O)Nc1ccc2c(c1)OCCO2 3463816 NTOSTWNCGFSOTR-JOCHJYFZSA-N 436.424 1.499 0 40 IDAB COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)c4ccc5c(c4)OCO5)CO[C@H]23)cc1 4235591 RDFKUHGBEIRHQZ-YGWPLHOASA-N 442.424 1.937 0 40 IDAB biogenic,in-vitro CCn1nc(C(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc2c1=O 8807007 PQTQCNMXGBFFOC-UHFFFAOYSA-N 439.468 1.949 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccccn1 8990726 SPKBNNIXTROIRP-OAHLLOKOSA-N 434.493 1.054 0 40 IDAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N[C@H]1CCS(=O)(=O)C1 9410390 WIOUQTGYNRPRCA-AWEZNQCLSA-N 429.450 1.848 0 40 IDAB biogenic COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 9592795 PEBLOMRVAPKRIM-SEIPJRMCSA-N 438.436 1.970 0 40 IDAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9909939 UKRYDTWLQYPFKU-UHFFFAOYSA-N 433.486 1.927 0 40 IDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 10299495 YNPGEXJPAGCSDL-UHFFFAOYSA-N 426.489 1.781 0 40 IDAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccccc1C(N)=O 11858153 ANXCSBXTIJBKSP-UHFFFAOYSA-N 437.499 1.270 0 40 IDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1=O 12005938 NCBHMOLUDOKEAG-AWEZNQCLSA-N 431.470 1.190 0 40 IDAB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 12818922 PZBABCQIRBFLAJ-LJQANCHMSA-N 429.498 1.781 0 40 IDAB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3)CC1)CS2 13022077 AZKOXNDFQPEXTN-QAPCUYQASA-N 443.978 1.627 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 13128608 XWYLYNYLGQQDRA-UHFFFAOYSA-N 433.511 1.345 0 40 IDAB C[C@@H](C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2)c1ccccc1 19459250 LUDXLEOTOURZKA-RDTXWAMCSA-N 430.530 1.555 0 40 IDAB CCCN1C(=O)N[C@H](CCC(=O)N2CCC[C@H](c3c(C)c(=O)nc4n3CCC4)C2)C1=O 19502564 DMPHIRCBRFGVHB-JKSUJKDBSA-N 429.521 1.315 0 40 IDAB O=C(CCCN1C(=O)CNC1=O)N1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1 19693364 CMJHTMVBNGWGPR-INIZCTEOSA-N 427.436 1.515 0 40 IDAB CN1CCN(CCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)CC1 22933779 MJIIDJPEPCGGHC-UHFFFAOYSA-N 430.574 1.879 0 40 IDAB CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)c(F)c1 24363827 HZUNMOUVNJCDIA-UHFFFAOYSA-N 446.460 1.069 0 40 IDAB O=C(C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24987904 SGVGFHVWWJFVDV-OAQYLSRUSA-N 447.601 1.165 0 40 IDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnnn2CC(C)C)CC1 29633435 SIKGIPLPNRMNTB-UHFFFAOYSA-N 445.593 1.767 0 40 IDAB 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)COS(C)(=O)=O 31333883 AFMXNPUMXZCVGU-CWNVBEKCSA-N 440.558 1.766 0 40 IDAB in-vitro CS(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1Cl 32003172 NTESPMKGGJEEIV-UHFFFAOYSA-N 436.877 1.744 0 40 IDAB O=C(c1ccc2cn[nH]c2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 32900965 BSAVJMLDNNKMNJ-UHFFFAOYSA-N 442.497 1.871 0 40 IDAB C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35365989 XKLVJEDXEYQMDS-NJJAPQNDSA-N 432.480 1.434 0 40 IDAB biogenic CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc(NC(N)=O)c1 48325695 MBHOFFCYPZOICE-KRWDZBQOSA-N 429.502 1.557 0 40 IDAB CC(C)N1C(=O)c2ccc(C(=O)NC3=NS(=O)(=O)c4ccccc43)cc2S1(=O)=O 58053614 SXKLVKGREDRNKG-UHFFFAOYSA-N 433.467 1.118 0 40 IDAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1ccccn1 68736469 UBESLJDSHIGNQD-CVEARBPZSA-N 448.520 1.443 0 40 IDAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1-c1ccc(C(N)=O)cc1 72233892 KAHJDCHQROLGCB-UHFFFAOYSA-N 442.479 1.903 0 40 IDAB CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 72260158 YKBNXTVSIACZAR-UHFFFAOYSA-N 430.896 1.184 0 40 IDAB O=C(Nc1ncccc1Cl)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 95457240 MPIMGQFZHJDEBV-UHFFFAOYSA-N 448.888 1.850 0 40 IDAB COC(=O)[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 95955467 BEWKYIQKJBZQTF-CYBMUJFWSA-N 439.317 1.044 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)c2ccccc2Cl)sc2cc(S(N)(=O)=O)ccc21 100876582 DQRCWEOLQGBGHO-JZJYNLBNSA-N 439.902 1.918 0 40 IDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102858470 HJZJGNUXRCXQFE-GBESFXJTSA-N 426.469 1.187 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc2c(c1)OCCO2 220009522 PICWIEMWZRAXLM-UHFFFAOYSA-N 431.514 1.955 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222839532 RBDKDABBFGWNEU-QGZVFWFLSA-N 447.557 1.933 0 40 IDAB C[C@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(S(C)(=O)=O)cc1 223875632 QNQDLBSUJPCTRT-ZDUSSCGKSA-N 436.511 1.502 0 40 IDAB CN(c1ccc(OCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1)S(C)(=O)=O 224753648 CEKPALJVIFABTN-UHFFFAOYSA-N 447.557 1.610 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cc4ccccc4oc3=O)CC2)cn1C 253472181 JYSAKUMYLXBEJC-UHFFFAOYSA-N 430.486 1.372 0 40 IDAB Cc1ccc2[nH]nc(C(=O)N3CCN(C)[C@H](C(=O)NCCOc4cccc(F)c4)C3)c2c1 257286232 PKUWLXAUBMDTMM-FQEVSTJZSA-N 439.491 1.962 0 40 IDAB COC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 408588991 DJLQJGFOTZPBRU-UHFFFAOYSA-N 439.442 1.843 0 40 IDAB COc1cc([C@@H](c2n(C)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc(OC)c1O 524733831 SVNOSLVVVVKVNP-OAHLLOKOSA-N 434.445 1.582 0 40 IDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Br)cc1)C2)NC[C@@H]1CCCO1 1547201011 HKGPAFDHCPEABW-ZDUSSCGKSA-N 436.266 1.091 0 40 IDAB COc1ccc(-n2c(=O)c3cc4c(=O)n(-c5ccc(OC)cc5)c(=O)c4cc3c2=O)cc1 793746 ADXXPBHDOJKTFE-UHFFFAOYSA-N 428.400 1.908 0 40 IDAB Cc1ccccc1OCn1ccc(C(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1 2728921 HVYXESXTCLOMDH-UHFFFAOYSA-N 444.517 1.108 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 3344755 WUZRKDKVPDGNOG-QGZVFWFLSA-N 431.514 1.470 0 40 IDAB CC(C)(C)C(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1 4124401 XTHCCECFXZPRBX-QGZVFWFLSA-N 428.342 1.537 0 40 IDAB O=C(Nc1ccccc1O)C1CCN(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)CC1 8752529 OOBNYSRSJNVAHL-KRWDZBQOSA-N 435.546 1.221 0 40 IDAB Cc1ccccc1-n1nnnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 9120301 BRVJTLZSJOYAKE-UHFFFAOYSA-N 432.531 1.069 0 40 IDAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 9284334 JXZDQQAKNDPPKY-CQSZACIVSA-N 443.481 1.888 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3ccncc3)C2)cc1 9420600 OBFRWYNYHRIFAY-OAHLLOKOSA-N 432.502 1.246 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C\c2ccccc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 9430161 NBLPYLGNOWTTPP-FBKCMUNRSA-N 438.527 1.767 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)n(C)c1=O 9672274 XAENIWRSONFKFD-CQSZACIVSA-N 438.513 1.797 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccccn1 9715251 PRRRAJGSDNZYQI-SFHVURJKSA-N 430.530 1.448 0 40 IDAB COc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1 10219693 IIYJVRGPSHPASS-UHFFFAOYSA-N 440.481 1.564 0 40 IDAB Nc1nnc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1 11479912 NUFRAYVRPCWHEQ-UHFFFAOYSA-N 449.967 1.525 0 40 IDAB CCOC(=O)C1=C(COC(=O)COc2ccc(Br)cc2)NC(=O)N[C@@H]1C 12880154 KNZOVLXPLIDGJJ-SNVBAGLBSA-N 427.251 1.890 0 40 IDAB CCN(C(=O)CSc1nc2ccccc2c(=O)n1CCOC)[C@H]1CCS(=O)(=O)C1 13132837 WMFYYUZELVONNC-AWEZNQCLSA-N 439.559 1.171 0 40 IDAB Cc1nc([C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)ncc1C(=O)N1CCCCC1 19763343 UNOBXKHUUOPGRM-MRXNPFEDSA-N 432.550 1.713 0 40 IDAB COC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccco1 20478134 WEJFDOYYMOPKSQ-RTBURBONSA-N 440.456 1.142 0 40 IDAB COc1ccc(C)cc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22229238 UJXVQVHDVUWTHJ-UHFFFAOYSA-N 433.530 1.988 0 40 IDAB COc1cc(CNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc(OC)c1OC 22335189 DZCYDKSHKBERLX-UHFFFAOYSA-N 426.466 1.934 0 40 IDAB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1 22851248 CFVUXYDQEBYANV-LJQANCHMSA-N 442.491 1.276 0 40 IDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)C1 29198246 BINKFCVHYLUBLP-JSGCOSHPSA-N 444.351 1.342 0 40 IDAB O=C(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 34290351 WTTRUBICDWFROZ-QWFCFKBJSA-N 436.420 1.907 0 40 IDAB CCn1c(=O)c(C(=O)CN2CCN(c3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O 36408750 PVJLRHQRPUFGOC-UHFFFAOYSA-N 447.539 1.665 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(C)CC1 95464877 IPEIHWBCFPQXOF-IEBWSBKVSA-N 430.549 1.437 0 40 IDAB COc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@@]32CCN(C)C2=O)cc1 96144064 URXXOBCHMAJYIM-HSZRJFAPSA-N 428.533 1.763 0 40 IDAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5cccnc5)[C@H]34)[C@@H]2C1=O 169678376 MLQZGIPLWFHGLW-PGMOUUFXSA-N 443.506 1.389 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 225193341 WISKMQMKBSKARS-MRXNPFEDSA-N 433.530 1.625 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 225199627 RQLYOYQWJMKGNQ-MRXNPFEDSA-N 445.541 1.819 0 40 IDAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cc(-c4ccccc4)nn3C)CC2)cn1C 238823571 DFECVLWQIVFUDL-UHFFFAOYSA-N 442.545 1.666 0 40 IDAB COc1cccc(N2C(=O)[C@@H]3C=C[C@@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C[C@H]3C2=O)c1 248153350 XQNXNMMTUFNFLS-MISYRCLQSA-N 446.463 1.702 0 40 IDAB CC[C@H](C)N1CCN(C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)CC1 248238752 NOAFMJJIPHLCKV-HOOSLVGPSA-N 442.560 1.849 0 40 IDAB O=C1CCCN1CCOCC(=O)N1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 257311707 UKROVFQYRAXPBA-IBGZPJMESA-N 443.479 1.898 0 40 IDAB Cc1nc(C(=O)N2CC[C@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)cs1 306127083 FOEBGTMZNUITPY-NRFANRHFSA-N 441.488 1.446 0 40 IDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CCN(C(=O)Cc4ccccc4)C[C@H]32)cc1 306129514 IFPZRCZWNHZABL-RTWAWAEBSA-N 430.508 1.950 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCc1ccncc1 408602138 HWZYJBASXQVVNQ-UHFFFAOYSA-N 425.894 1.451 0 40 IDAB CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O 1636010080 ULRWFLPOCKJCFV-CVEARBPZSA-N 426.945 1.698 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5c(C)nn(CC)c5C)C[C@@H]4C3)nn12 2087065711 NNEHEGWIBHCFLA-HOTGVXAUSA-N 444.565 1.277 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(CC)o3)cc2)CC1 2720169 RDYBTFGGNBHFNR-UHFFFAOYSA-N 437.478 1.347 0 40 IDAB O=C(COc1ccc(-c2nnco2)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9316297 CIHLEFKDPNXZDA-UHFFFAOYSA-N 444.469 1.775 0 40 IDAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)NC1CCCCC1 9632951 ZFUSBCNETYQNHD-UHFFFAOYSA-N 444.937 1.967 0 40 IDAB COc1ccccc1N1CCN(C(=O)COCC(=O)NCc2ccc3c(c2)OCO3)CC1 9720544 KLNJRVNNEONTEW-UHFFFAOYSA-N 441.484 1.406 0 40 IDAB COCCCNC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 10219912 VBFCXCXFQXDZFH-UHFFFAOYSA-N 426.882 1.045 0 40 IDAB Cc1cc(C)nc(SCCn2c(N3CCC[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1 10248643 KHIKFECXEWORGY-ZDUSSCGKSA-N 443.577 1.869 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccc(OC)cc1 10385681 RHYJTRBEXXBVFB-WOJBJXKFSA-N 437.500 1.619 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)c1ccc3c(c1)NC(=O)CO3)C2=O 10761907 QTVDSTIGLFTFKV-GTJPDFRWSA-N 429.429 1.244 0 40 IDAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 12549200 UOPRJZJCNJXEPB-CALCHBBNSA-N 440.566 1.138 0 40 IDAB O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12556630 VTTBXAMQMKZHBO-UHFFFAOYSA-N 448.545 1.652 0 40 IDAB CCOC(=O)N1CCN(CC(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)CC1 12773239 DIVAABPKECTEPS-UHFFFAOYSA-N 445.564 1.106 0 40 IDAB CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 12863816 MXDOVNGTWHYGCZ-ZDUSSCGKSA-N 449.597 1.530 0 40 IDAB CN(C(=O)CCN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 13576333 HWDWJIAVOHSXBA-MFYHJKBNSA-N 426.491 1.898 0 40 IDAB CN(C)CCCNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 13670147 BIILSELLSWFVOP-UHFFFAOYSA-N 439.319 1.125 0 40 IDAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 14915488 JVCFOTLYRLWUKM-ZWKOTPCHSA-N 437.562 1.183 0 40 IDAB COc1ccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CCN(C(=O)CN4CCOCC4)C[C@H]32)cc1 19557247 ASMZNMAIJAMXTP-FKBYEOEOSA-N 427.545 1.580 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)c3[nH]nc4c3CCCCC4)C1)C2=O 19700805 UCVTZLZCORDMPY-INIZCTEOSA-N 442.564 1.690 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(SCC(=O)NC(=O)NCc2ccco2)nc1 22119620 LALCLHDGOKWIGX-UHFFFAOYSA-N 426.520 1.823 0 40 IDAB Cc1cc(C)n2c(SCC(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)nnc2n1 22200868 ISCHHAKUHHWFKE-SFHVURJKSA-N 426.546 1.850 0 40 IDAB CCCCN(C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1c(N)n(CCCC)c(=O)[nH]c1=O 24004527 DREJXTQUIUNJNM-ZUOKHONESA-N 437.566 1.506 0 40 IDAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(-c2ccoc2C)n1N 27257044 AQIHNLUFRRBXFP-UHFFFAOYSA-N 434.547 1.879 0 40 IDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCN(c2ccccc2F)CC1 27556878 KSAFAPBKVHXODZ-OAHLLOKOSA-N 432.521 1.573 0 40 IDAB CCOC(=O)C1=C(COC(=O)C2=NN(C)C(=O)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 29904533 XPRHWXFEEUTZNA-QGZVFWFLSA-N 448.863 1.663 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 32902006 FMWRRGAGLTXERP-OAHLLOKOSA-N 431.580 1.636 0 40 IDAB CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H]2C=CC3C(C4C=C[C@H]5[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]5C34)[C@H]12 33783520 NVFCLEIDAMUEOZ-QRUBKJBESA-N 444.480 1.823 0 40 IDAB COc1ccc(CCNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 34896061 PZOXKRUAVXITMQ-UHFFFAOYSA-N 445.585 1.977 0 40 IDAB CN(C)CCn1c(=O)oc2ccc(NC(=O)C[C@](O)(c3nccn3C)C(F)(F)F)cc21 58104870 BSULJCOKUAFNKB-SFHVURJKSA-N 441.410 1.668 0 40 IDAB O=C(c1cc(Br)ccc1-n1cnnn1)N1CCN(CCc2ccccn2)CC1 79478630 GZYHDWCGJGMHRM-UHFFFAOYSA-N 442.321 1.820 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3cn(CC)ccc3=O)c2c1 95451125 KYDXKDKQEFHLQF-UHFFFAOYSA-N 444.513 1.993 0 40 IDAB O=C(CC1CCCC1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 96251474 SCJGFULYMLUOQK-RDPSFJRHSA-N 441.576 1.961 0 40 IDAB NC1=C2C(=O)Oc3ccccc3[C@H]2[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2S1 101413076 DICCXHOPHCSSGA-JZXOWHBKSA-N 436.445 1.936 0 40 IDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)s1 225857740 VZJIFDIJXZSPHR-UHFFFAOYSA-N 428.448 1.261 0 40 IDAB CC[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC)O[C@H]1COC(=O)c1ccccc1C(=O)O 252286825 LSYZNSASYNHALF-BEACGEKWSA-N 438.429 1.803 0 40 IDAB COc1ccc(-c2cccc([C@@H]3CN(CC(=O)N4CCC(C(N)=O)CC4)CCO3)n2)cc1 257275960 NRSVQKZGJOREED-QFIPXVFZSA-N 438.528 1.854 0 40 IDAB COCCOc1cc(CN[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1OC 257328588 XGIFJCAJXVWKRI-KZNAEPCWSA-N 440.537 1.541 0 40 IDAB CN1C[C@H](C(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3cccc(F)c3F)cc2)CC1=O 257341680 ZLKPOKQGWKFBGM-APWZRJJASA-N 427.451 1.980 0 40 IDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)c(Cl)c1 408587000 ATUFOZBFIBEDKJ-UHFFFAOYSA-N 433.958 1.246 0 40 IDAB CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CCN1CCO 682009288 SVCXFJSZVOYCLZ-MRXNPFEDSA-N 425.476 1.808 0 40 IDAB CCN(C(=O)COc1ncnc2ccc(Br)cc12)[C@@H]1CCS(=O)(=O)C1 3421473 IHURHSKNNJOPSX-GFCCVEGCSA-N 428.308 1.807 0 40 IDAB O=C(COc1ccccc1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 9569828 XBGWGFZDCSDRGL-UHFFFAOYSA-N 437.949 1.987 0 40 IDAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 12819951 OEPKLDBXGFRPCJ-FATZIPQQSA-N 437.452 1.865 0 40 IDAB CCOC(=O)CC(=O)N1CCC(c2nc(=O)c3nnn(Cc4ccc(C)cc4)c3[nH]2)CC1 13565522 BZDJIIFBXIMVJD-UHFFFAOYSA-N 438.488 1.531 0 40 IDAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1CCN(S(C)(=O)=O)CC1 14112560 BJKBUXQMMZIVNT-UHFFFAOYSA-N 426.926 1.597 0 40 IDAB Cn1ccnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 18217973 ALFQCEHHORBIIY-UHFFFAOYSA-N 434.587 1.924 0 40 IDAB CC(C)NC(=O)[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1c1ccnc(N2CCCCC2)n1 19450104 NMQRVEKACIJLLL-ROUUACIJSA-N 442.564 1.156 0 40 IDAB COc1ccccc1N1CCN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)CC1 19571120 GZOIASAEWWBLME-UHFFFAOYSA-N 425.514 1.911 0 40 IDAB CCCN1C[C@H](C(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)cn3)CC2)CC1=O 19708350 KRWKAHRYQGVZEJ-LJQANCHMSA-N 428.533 1.519 0 40 IDAB Cc1cnc(C(=O)N2CCC[C@@H]2c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)cn1 19743593 CPBLRXUVBGERMY-CQSZACIVSA-N 448.405 1.727 0 40 IDAB Cc1nn(C)c(C)c1CN(C)C(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O 19751614 RDOZRHBCHSMFJD-UHFFFAOYSA-N 439.491 1.926 0 40 IDAB NC(=O)CS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 20443588 VEFGGULPXRUXFU-UHFFFAOYSA-N 430.460 1.634 0 40 IDAB O=C(CNc1nc(Cl)nc2[nH]cnc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20647229 AJINEKVDKRSIRR-UHFFFAOYSA-N 429.868 1.491 0 40 IDAB O=S(=O)(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 22227723 QIUSHHULHPLYTB-UHFFFAOYSA-N 444.962 1.882 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)c2cccc(NC(=O)c3cccs3)c2)c(=O)n(C)c1=O 23069314 JFHAJDLSULTGIG-UHFFFAOYSA-N 442.453 1.020 0 40 IDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C 24605174 AITWZFWXWMKZKM-NRFANRHFSA-N 431.558 1.736 0 40 IDAB O=C1C[C@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C(=O)N1c1ccccc1F 25480275 KRABIHNEFPBQDR-KRWDZBQOSA-N 435.452 1.603 0 40 IDAB C[C@@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 40121860 LAQZMVHVAWQQQC-AWEZNQCLSA-N 435.531 1.589 0 40 IDAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(OC)c3)c2=O)cc1 40478159 KKARNSZJRHHPRR-UHFFFAOYSA-N 448.439 1.470 0 40 IDAB CCn1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)ccc1=O 49362511 JHMPKAFQWWBIFA-UHFFFAOYSA-N 428.474 1.723 0 40 IDAB CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1 58178855 BRJRJZTYZOBCII-UHFFFAOYSA-N 430.368 1.624 0 40 IDAB CCCN1C(=O)N[C@@H](CC(=O)N2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)C1=O 72394353 KIRPUSHEPSEKJE-SFHVURJKSA-N 442.516 1.509 0 40 IDAB COC(=O)c1cnc(N[C@H](C)c2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCOCC2)c1 95356484 DFSXZWTXQNXPGR-CYBMUJFWSA-N 449.485 1.791 0 40 IDAB Cc1cccc(CN2CCC3(CC2)O[C@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)n1 96243776 CTOXFXLGOFBJQT-UXHICEINSA-N 425.533 1.772 0 40 IDAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C(=O)N1c1ccccc1F 102835953 KRABIHNEFPBQDR-QGZVFWFLSA-N 435.452 1.603 0 40 IDAB CCOc1ccc(Cc2cc([C@]34OC[C@](OC)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1 219550478 UFWQAQJFRMQRFR-CUUWFGFTSA-N 436.888 1.968 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224325812 CAWPNMXBQPIOAT-UHFFFAOYSA-N 433.534 1.141 0 40 IDAB O=C(NC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O)NC1CCCCC1 225519384 JOJFPXAZWAWMEM-GRLWTPEZSA-N 431.480 1.162 0 40 IDAB biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC2(C3)NC(=O)N[C@H]3OCCC[C@H]32)cc1 257220318 DKJFVDTWIRWYEZ-DKKFBQAASA-N 448.545 1.765 0 40 IDAB CNc1nc([C@@H]2CCN(C(=O)CN3CCc4ccccc4C3)C2)nc2c1CCN(C(C)=O)C2 257256792 KMXXLQYXDILQDE-HXUWFJFHSA-N 448.571 1.797 0 40 IDAB Cc1cc(C(F)F)n2nc(C(=O)N(C)C[C@@]3(O)CCCN(c4cnccn4)C3)nc2n1 257328279 XEZHFLIZAZNGCX-IBGZPJMESA-N 432.435 1.264 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)cc1 575612705 NYCIENPTBJEYAP-QFIPXVFZSA-N 432.542 1.981 0 40 IDAB CCn1c(N2C[C@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@@H]3C2)nc2ccccc21 1888899170 RHNFDZRPIHDPLS-QZTJIDSGSA-N 445.589 1.622 0 40 IDAB Cc1nc(C(=O)N2CCC3(CC2)O[C@@H](C(=O)N2CCOCC2)Cn2ccnc23)cs1 2055793417 ATHWDPBYFWSQOM-MRXNPFEDSA-N 431.518 1.037 0 40 IDAB O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363801 KYCTVSXBJLJHOO-KRWDZBQOSA-N 426.502 1.379 0 40 IDAB C[C@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(C(N)=O)cc1 4327896 PQDNLZJJAVCERK-HDDXYUSQSA-N 427.501 1.988 0 40 IDAB CCN(C(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O)[C@H]1CCS(=O)(=O)C1 8710546 DIOHMEIPBLPABC-ZDUSSCGKSA-N 434.543 1.659 0 40 IDAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCCNC(N)=O)ccc2OC)cc1 9130212 BRVNQYMNMWKBOZ-UHFFFAOYSA-N 436.490 1.892 0 40 IDAB O=C(NCC(=O)N1CCC2(CC1)NCCc1[nH]cnc12)c1ccc(Br)cc1 9130722 CEWAWDLFOGXVNG-UHFFFAOYSA-N 432.322 1.566 0 40 IDAB Cc1csc2nc(CN3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)cc(=O)n12 9207390 SJGRYUGTPYQDRS-GOSISDBHSA-N 426.498 1.691 0 40 IDAB O=C(Cn1cc(S(=O)(=O)CC(=O)N2CCCCC2)c2ccccc21)N1CCOCC1 9519732 HNCFGFQPBRMPSV-UHFFFAOYSA-N 433.530 1.286 0 40 IDAB CCOc1ccc(C(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OCC 10218474 NIKCGHHDJLBGBM-UHFFFAOYSA-N 449.529 1.220 0 40 IDAB O=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)NC1CC1 10781368 MRSIEIYUZAECDS-UHFFFAOYSA-N 425.688 1.203 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2cc(F)c(F)cc2Cl)cc1 11400861 SYDHYCUFEZFQJK-UHFFFAOYSA-N 432.832 1.781 0 40 IDAB COc1ccc(CCNC(=O)C(=O)NC[C@@H]2OCCN2C(=O)c2ccc(Cl)cc2)cc1 12080708 FUYDQAYNQRVTGC-IBGZPJMESA-N 445.903 1.622 0 40 IDAB Cc1cccc(NC(=O)CN2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)c1C 12682087 HLPLBCJCNVQDIM-UHFFFAOYSA-N 441.532 1.251 0 40 IDAB CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 12892225 PGFLKXBWOMFGJG-QGZVFWFLSA-N 428.576 1.439 0 40 IDAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 12897145 UXDDOTSDTGEIPW-UHFFFAOYSA-N 428.514 1.427 0 40 IDAB Cc1ccc(OCC(=O)NCC(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1 15733915 USVAZGOLHRMHGU-UHFFFAOYSA-N 428.470 1.575 0 40 IDAB Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](CO)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15968279 LPHFXVHCLFLXOK-DDOIHHOZSA-N 439.899 1.604 0 40 IDAB biogenic O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCCN1CCOCC1 16428853 DVWUKPXSVUEJFR-UHFFFAOYSA-N 425.551 1.079 0 40 IDAB COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3c(C)nn(C)c3C)c(=O)n12 17102261 QWJJUGWLQHRWNT-KUUOAQSOSA-N 438.509 1.209 0 40 IDAB O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)Nc1nccs1 22908998 YSPYNJACZSAICR-UHFFFAOYSA-N 435.575 1.642 0 40 IDAB CS(=O)(=O)c1ccc2nc(NC(=O)CCn3nnc4ccccc4c3=O)sc2c1 27445851 JXLNQSZDKIJBSS-UHFFFAOYSA-N 429.483 1.834 0 40 IDAB C[C@H]1CN(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C[C@H](C)O1 32899247 IVDMUIJNAONTRO-IRXDYDNUSA-N 435.546 1.987 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2C(C)C)c1=O 32958176 MSRIXVYMTTXANT-UHFFFAOYSA-N 443.548 1.991 0 40 IDAB O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36108731 JZKNWZHEKGCZRR-LJQANCHMSA-N 439.493 1.054 0 40 IDAB CCNC(=O)CN(CC)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 59875055 JYBUAUPKSAELCI-KRWDZBQOSA-N 435.571 1.848 0 40 IDAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(C4CCOCC4)[C@@H]3CO)cc2)n(C)n1 72321545 WFIZIONOQVGQRT-TZIWHRDSSA-N 428.489 1.421 0 40 IDAB biogenic,in-vitro O=C(Nc1ccccc1)N1CCC2(CC1)O[C@@H](C(=O)N1CCOCC1)Cn1ccnc12 96144815 YEJPXJCDXQTFLV-GOSISDBHSA-N 425.489 1.664 0 40 IDAB COc1ccc(Br)cc1CCC(=O)N1CC(S(=O)(=O)c2nccn2C)C1 240104302 UPHYKJCOEXMNLN-UHFFFAOYSA-N 442.335 1.809 0 40 IDAB CCN1CCN(CC(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)CC1 257265643 LZRQOPFBDJNIRP-UHFFFAOYSA-N 436.984 1.841 0 40 IDAB O=C1CCCN1C[C@@H]1CC[C@@]2(COCCN(Cc3ccccc3N3CCOCC3)C2)O1 306130925 JSTFAAKNGCUWMG-XUZZJYLKSA-N 429.561 1.896 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC 409115199 JJYNDYMLQRJLBV-UHFFFAOYSA-N 437.493 1.470 0 40 IDAB COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 504632341 JOFDLDCIVLRMLK-QGZVFWFLSA-N 425.441 1.593 0 40 IDAB biogenic CCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2c1c(=O)n(C)c(=O)n2C 880814 VHIGVJFPUZMIOM-UHFFFAOYSA-N 429.502 1.777 0 40 IDAB COc1ccc(Cl)cc1NC(=O)Cn1nnc(-c2ccc(C)cc2-n2cnnn2)n1 1361515 FORQWVZXOOPQNG-UHFFFAOYSA-N 425.840 1.925 0 40 IDAB CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 2722989 INXWVCJVINUPKX-CYBMUJFWSA-N 428.470 1.111 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 3357460 CJWKINWXMSZAQT-UHFFFAOYSA-N 429.420 1.788 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCC[C@H](C)C2)cc1 6081283 YUAUNVQUHALXCP-AWEZNQCLSA-N 425.507 1.067 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1C(N)=O 8923741 CQGOPPYOWPLAQY-UHFFFAOYSA-N 448.589 1.610 0 40 IDAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NN1C(=O)NC2(CCCCC2)C1=O 8940862 UBGNERBDAYMGDY-MRXNPFEDSA-N 428.489 1.881 0 40 IDAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1cccc(O)c1 9530737 BZPFGGMIKPJCAH-CQSZACIVSA-N 435.477 1.687 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 9954298 DBQBEQKPXOMDCA-DEOSSOPVSA-N 447.495 1.825 0 40 IDAB Cc1cccc(NC(SCC(=O)N2CCOCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 9973657 RMXDJFALGWKPDF-UHFFFAOYSA-N 432.502 1.261 0 40 IDAB O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 10109524 GQUZQBANGJWXTO-QGZVFWFLSA-N 441.509 1.730 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccccc3C(=O)O)CC2)cc1 11566389 YKESKIJUTKENHJ-UHFFFAOYSA-N 432.498 1.857 0 40 IDAB CC(C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1Cl 12232343 IGUWRAGADXQWGL-LLVKDONJSA-N 442.303 1.990 0 40 IDAB Cc1ccc(NC(=O)CCNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)cc1 12776700 IXNXMPGKKJPONP-VAVNGKDRSA-N 434.489 1.836 0 40 IDAB biogenic CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 12977691 WJFFSNWTJRLSNM-UHFFFAOYSA-N 441.525 1.964 0 40 IDAB COc1ccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1OC 13858159 ANCUBLGWZXQXAZ-UHFFFAOYSA-N 448.501 1.299 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCN(C(=O)C2CC2)CC1 14016719 SRCBXYVDLCGSAR-UHFFFAOYSA-N 444.351 1.198 0 40 IDAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3OC)c2N)c(OC)c1 15942832 NWLBUKUTFYIHJM-UHFFFAOYSA-N 426.433 1.777 0 40 IDAB O=C1[C@@H]2[C@@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C[C@@H]1CCCO1 16026501 QWTPFGWYUWQUJX-FHAWQSFUSA-N 431.492 1.829 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)NC1CCCCCC1 19110898 SEAQEIWGWDCIFJ-UHFFFAOYSA-N 437.591 1.837 0 40 IDAB O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 19332087 LBVFURNYOVWUMN-RBUKOAKNSA-N 440.475 1.950 0 40 IDAB CCS(=O)(=O)N1CC[C@H](c2nc(O)c3c(n2)CN(Cc2ccc(OC)cc2)CC3)C1 19520254 QBEWVSHRGGGRGG-INIZCTEOSA-N 432.546 1.888 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC2)cc1 19557086 DFIZGFZDXPHKRO-HXUWFJFHSA-N 448.541 1.896 0 40 IDAB CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)c4cccc(-n5cnnc5)c4)CC3)cc2n1 19585762 LZDUKWOKSKSTPI-UHFFFAOYSA-N 444.499 1.985 0 40 IDAB Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 23819187 SODRLCGDFUOHHI-UHFFFAOYSA-N 447.380 1.455 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(Cn3ccnc3)c2)c1 25174759 FTKVUJXKHYIWJV-UHFFFAOYSA-N 443.529 1.762 0 40 IDAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 25404611 YIQLDXQBKAAOHW-OXQOHEQNSA-N 444.532 1.518 0 40 IDAB CNS(=O)(=O)c1ccc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 32895126 QDJJGLMBDIHYLZ-UHFFFAOYSA-N 442.423 1.849 0 40 IDAB COc1c2c(c(S(=O)(=O)NCc3ccc4c(c3)OCO4)c3c1OCO3)CCN(C)C2 40309878 SWUIJHXARZBYIF-UHFFFAOYSA-N 434.470 1.619 0 40 IDAB biogenic Cc1cc(Cl)c(C)c(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1Cl 48302683 DZYJFVLLSBSNJP-UHFFFAOYSA-N 444.406 1.466 0 40 IDAB COc1cccc(NC(=O)COc2ccc(C(=O)N3CC[C@@H](OCC(N)=O)C3)cc2)c1 72312704 WXYPUDIJWPBKAF-LJQANCHMSA-N 427.457 1.429 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCC4CCOCC4)CC3)CC2=O)cc1 72403725 FAJAVZCZJZRECX-IBGZPJMESA-N 443.544 1.830 0 40 IDAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCCN(S(=O)(=O)c3ccccc3F)C2)C1 96225102 XSIZYTYQJZYKBI-FQEVSTJZSA-N 432.477 1.837 0 40 IDAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 197917546 SPBMJJYWQZRUJD-INIZCTEOSA-N 430.578 1.964 0 40 IDAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c1 223793666 AVXWWMFIRQZTAP-UHFFFAOYSA-N 442.515 1.969 0 40 IDAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 225008716 MUJSIRMBSUJZJW-UHFFFAOYSA-N 445.541 1.938 0 40 IDAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccco5)[C@H]34)[C@H]2C1=O 238937415 VEAZGPPZOQXRGA-MGRAFPBCSA-N 432.479 1.587 0 40 IDAB O=C(O)CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3ccco3)c3sc(=O)[nH]c3S[C@@H]12 245235262 IOYLOAKNPVOCST-CVUGGDQUSA-N 446.506 1.977 0 40 IDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)n1 257210767 BWCAELOCEJTCOR-IBGZPJMESA-N 448.527 1.953 0 40 IDAB Cc1nc2ccccc2n1CCCC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(O)nc2=O)C1 257240401 HTGVEJPPZHQKSH-XMSQKQJNSA-N 425.489 1.612 0 40 IDAB O=C(CCCN1C(=O)CNC1=O)N1CCO[C@H](c2cncc(-c3cccc(F)c3)n2)C1 257298862 RNOAZOXTWBKKRT-SFHVURJKSA-N 427.436 1.515 0 40 IDAB O=C(CN1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1)Nc1ccc2c(c1)OCCCO2 257299371 RPTIBNPWGUDGSV-YLJYHZDGSA-N 428.441 1.609 0 40 IDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cncc(Br)c5)C[C@H]4C3)nn12 1888890661 QVLZPSDBYGNSBR-ZIAGYGMSSA-N 428.294 1.799 0 40 IDAB Brc1cnc(N2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)nc1 1888913413 UUCKYHNVMXGGEK-AWEZNQCLSA-N 445.325 1.884 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(c5cc(C)nc(SC)n5)C[C@@H]4C3)ncnc21 1888913939 XTKUXYRXHMUVAX-HUUCEWRRSA-N 426.550 1.866 0 40 IDAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O 9532760 UULHTPCWGYDSIG-QFIPXVFZSA-N 436.424 1.210 0 40 IDAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)N2CCC(C)CC2)CS(=O)(=O)C3)cc1 10219723 VAUXBAPDUWEJSC-UHFFFAOYSA-N 432.502 1.506 0 40 IDAB CCOc1ccc(N2C[C@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 12180200 MOXXNSSUMDSPAA-MRXNPFEDSA-N 446.529 1.380 0 40 IDAB COc1cc2cc(N)c(C3CCN(C(=O)[C@H]4CCS(=O)(=O)C4)CC3)nc2cc1OC 12231028 WXECXTJZTPMLMN-AWEZNQCLSA-N 433.530 1.975 0 40 IDAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 12548711 JAYJRLBHUQVMEO-UHFFFAOYSA-N 442.471 1.016 0 40 IDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)[C@H](C)O)CC1 12866567 DSYKOLXYZDJCGD-BPUTZDHNSA-N 443.541 1.115 0 40 IDAB biogenic O=S1(=O)N=C([C@H]2CCCN(Cc3ccnc(N4CCOCC4)n3)C2)Nc2ccccc21 19375682 ZXRHLTFAZCGSAN-INIZCTEOSA-N 442.545 1.738 0 40 IDAB CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)CN4CCCC4=O)C3)nc3ccccc23)CC1 19761206 XSNYIXVQFSILPB-GOSISDBHSA-N 449.555 1.561 0 40 IDAB COc1ccc(OCCN2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)CC2)cc1 21382153 YYPCQEFMBQYBKP-UHFFFAOYSA-N 433.455 1.926 0 40 IDAB COCCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nnc1-c1ccncc1 22133991 YCJBCOBLBIRSBW-UHFFFAOYSA-N 434.566 1.306 0 40 IDAB CNC(=O)NC(=O)[C@H](OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 23486123 FGSJQBIFYRMZQY-QSZISKGPSA-N 430.461 1.227 0 40 IDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23673364 XIOGUWMMVULMKK-UHFFFAOYSA-N 442.516 1.704 0 40 IDAB CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)N[C@H](Cc1ccccc1)C(=O)OC 24173133 BAVOHPPVJLHHQQ-QGZVFWFLSA-N 433.482 1.538 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cc(Cl)ccc1F 32717729 GQMHFUNJWLBXPQ-UHFFFAOYSA-N 426.901 1.756 0 40 IDAB CN(C1CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1)S(C)(=O)=O 58156054 KCRDSQWADKFECY-UHFFFAOYSA-N 440.525 1.882 0 40 IDAB COCCN(CCC(=O)OC)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 72282089 YKTKYMTWHHPBDI-UHFFFAOYSA-N 439.559 1.745 0 40 IDAB O=C(COc1coc(CN2CCOCC2)cc1=O)N1CCN(c2cccc(Cl)c2)CC1 72401199 QWCMOHZQIGDOQN-UHFFFAOYSA-N 447.919 1.853 0 40 IDAB O=c1[nH]c2cc(Br)c(S(=O)(=O)NC[C@@H]3COc4ccccc4O3)cc2[nH]1 78967586 CQQCWLOOFZGAEK-SECBINFHSA-N 440.275 1.737 0 40 IDAB Cc1nn(C)cc1-c1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C[C@H]1CCCO1 95443932 IOUUEPBVQGPEOJ-MRXNPFEDSA-N 445.545 1.945 0 40 IDAB COc1cccc(CCN2C[C@@]34CN(C(=O)c5ccccc5)C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 96146016 MZHKXHKWEPSWCM-GIWBLDEGSA-N 442.537 1.935 0 40 IDAB CS(=O)(=O)N1CCC(C2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 102405590 ZXKZAOOQRNDVJU-LJQANCHMSA-N 437.537 1.841 0 40 IDAB O=c1c(-c2ccc(Cl)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12 170591484 PIIJBWCFNYXGGN-LELZANKISA-N 434.828 1.292 0 40 IDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 224225830 IDLZIEWDUYKQLZ-UHFFFAOYSA-N 441.531 1.117 0 40 IDAB O=C1CCc2cc(S(=O)(=O)NC[C@](O)(c3ccoc3)c3ccco3)cc3c2N1CC3 390827077 SYYLRLWOYCXNLC-NRFANRHFSA-N 428.466 1.922 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 408624527 QPXHRKGXVUYAFJ-ZDUSSCGKSA-N 447.941 1.706 0 40 IDAB COC(=O)c1cccc(C(=O)N2CC3(CN(Cc4ccccc4)C[C@@H]4C[C@@H](O)CN43)C2)c1 514288452 AGMFNGGUXOBIJE-FCHUYYIVSA-N 435.524 1.619 0 40 IDAB biogenic,in-vitro CN=c1[nH]c(=NCc2cn3cccc(C)c3n2)[nH]c(=NCc2cn3cccc(C)c3n2)[nH]1 553175573 RAWGIUNCCINNNQ-UHFFFAOYSA-N 428.504 1.315 0 40 IDAB O=S1(=O)C[C@@H](O)[C@H](Nc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C1 575426569 VVGGNRYYFNIIEA-IAGOWNOFSA-N 433.511 1.605 0 40 IDAB Cc1noc(C)c1C(=O)N1CCO[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 585106999 NONIVOJFEUNZHJ-AUSIDOKSSA-N 426.517 1.690 0 40 IDAB CN1C(=O)CN(C2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCCC5)CC2)C1=O 675008304 PWZPPYKKTFVTTD-AWEZNQCLSA-N 445.545 1.044 0 40 IDAB CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C 4090792 MVXWMRJNABVTPR-TWOQFEAHSA-N 427.567 1.196 0 40 IDAB biogenic Nc1cc(=O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1-c1ccccc1 6474574 HZVOGRKTJRTPOL-UHFFFAOYSA-N 431.499 1.193 0 40 IDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(Br)cc3Br)C(=O)[C@@H]12 8416440 WZDRINMQXQMNQM-ZJUUUORDSA-N 445.067 1.592 0 40 IDAB COC(=O)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 9056627 ZGKJKBCVJWPMOI-UHFFFAOYSA-N 434.470 1.755 0 40 IDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9284105 LZKBGEQZHWELTR-UHFFFAOYSA-N 445.419 1.527 0 40 IDAB CCn1c(=O)c(C(=O)CSc2nnc(C3CC3)o2)c(N)n(Cc2ccccc2)c1=O 9446683 ZBLFJUOEKUZIKC-UHFFFAOYSA-N 427.486 1.896 0 40 IDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)c2ccc(CC(=O)N3CCOCC3)s2)C1=O 9595546 ODODHOIFRLRWQN-HXUWFJFHSA-N 431.470 1.392 0 40 IDAB COc1ccc(CC(=O)Nc2nnc(C3CC3)s2)cc1S(=O)(=O)N1CCOCC1 9664725 XLYBPZRBFSEVCL-UHFFFAOYSA-N 438.531 1.626 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(CC(C)C)C2=O)cc1 12401445 KGFADPZYPXOIGE-OAHLLOKOSA-N 436.412 1.390 0 40 IDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 12526290 QZDDVBNYDMUVLS-UHFFFAOYSA-N 425.532 1.383 0 40 IDAB Cc1[nH]c(SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)nc1Cc1ccccc1 12551206 PQVFTJVWUUXTNA-UHFFFAOYSA-N 427.574 1.824 0 40 IDAB COc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2)cc(OC)c1OC 13564004 NRRQSMRFDDAIPB-IAGOWNOFSA-N 429.473 1.996 0 40 IDAB COc1ccc(CNS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1 13692598 QKWKPELRZTVGDR-UHFFFAOYSA-N 438.527 1.876 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)Cc2ccc3c(c2)OCCO3)c(=O)[nH]c1=O 14669797 USEQLYZCJITFCC-UHFFFAOYSA-N 430.505 1.922 0 40 IDAB CC(=O)NCc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)o1 16050706 KFZKBVPIVPQJAV-IBGZPJMESA-N 426.425 1.962 0 40 IDAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCO2 18891765 UEYUZVZSBSEJJC-OAHLLOKOSA-N 432.498 1.970 0 40 IDAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)cc1 19209765 KBDQQNUPNJBKMH-IBGZPJMESA-N 444.557 1.692 0 40 IDAB COc1ccc(CN2CCC[C@@H]2c2nc(O)c3c(n2)CN(S(C)(=O)=O)CC3)cc1OC 19561022 DPQHMAROIZVWSI-QGZVFWFLSA-N 448.545 1.854 0 40 IDAB Cc1nc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc2c1CCC(=O)N2CC1CC1 19741519 YPKDQAJYSSHFAM-INIZCTEOSA-N 444.561 1.776 0 40 IDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc2c(c1)OCO2 20745673 MSZJYDCGBDPNNZ-CQSZACIVSA-N 429.860 1.968 0 40 IDAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCNC(=O)c3nonc3N)o2)c1 22108536 NZRZSTAKOYYXJG-UHFFFAOYSA-N 443.416 1.005 0 40 IDAB Cc1ccc([C@@H](CNC(=O)C(=O)NCCc2ccc(F)cc2)N2CCN(C)CC2)cc1 22796508 UMTDYRGOKZNMDN-JOCHJYFZSA-N 426.536 1.898 0 40 IDAB C[C@@]1(c2ccco2)NC(=O)N(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1=O 23806041 PSBHWKLQJGQFGH-NMQRCDEWSA-N 444.513 1.622 0 40 IDAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)NC[C@@H]1CCCN2CCCC[C@@H]12 43746991 GHPGYLQPBJKRLB-ANULTFPQSA-N 440.588 1.955 0 40 IDAB biogenic CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 72260189 HOSPKUWXKCVUCL-UHFFFAOYSA-N 428.468 1.059 0 40 IDAB CN(Cc1ccccn1)C(=O)c1ccc2nnc([C@H]3CN(c4ncccn4)CCN3C)n2c1 96156695 WTZMYZOAXVAICT-LJQANCHMSA-N 443.515 1.680 0 40 IDAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 101514431 KNRNUHCLCXISSR-LZWOXQAQSA-N 432.539 1.214 0 40 IDAB C[C@H](C(=O)N1CCN2CCCC[C@H]2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 253377500 XGVMVDMYPISSMB-NXMSCROESA-N 440.544 1.603 0 40 IDAB CC(C)C[C@H](NC(=O)c1cc(Cl)ccc1OC[C@H](C)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O 257216495 CUSOHRKTGDYSPO-RBNVPPIJSA-N 443.928 1.161 0 40 IDAB O=C(CCNC(=O)c1cccnc1)NCC[C@@]12CCCC[C@@H]1c1c(O)nc(O)nc1O2 257268479 MLVWQRDSILETMA-SZNDQCEHSA-N 427.461 1.398 0 40 IDAB O=C(NC[C@]1(O)COCCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1)c1ccccn1 257299153 ROYDZTAMABYFAF-JOCHJYFZSA-N 439.447 1.244 0 40 IDAB COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1I 408629844 IXZJITJSKOJJNY-UHFFFAOYSA-N 440.303 1.300 0 40 IDAB C[C@H](C(=O)NCCN1CCCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704882 VBQYROPGFAYKBK-MRXNPFEDSA-N 425.551 1.605 0 40 IDAB CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 524730042 SHRIEBVKGSKUHS-GJYPPUQNSA-N 444.557 1.872 0 40 IDAB biogenic C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)O)CC(=O)N[C@@H](c2ccccc2)C(=O)N1 643559987 XHWWJJURRGSUCI-AZOIQLNYSA-N 425.441 1.014 0 40 IDAB CC[C@H]1NC(=O)N(c2cccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)c2)C1=O 1128895992 ZGHRTFVMDSZBHI-WBVHZDCISA-N 435.440 1.601 0 40 IDAB COCCn1c(NC(=S)NC(=O)c2cccc(Br)c2)cc(=O)[nH]c1=O 3281249 ZAVVFDGOZCRTJE-UHFFFAOYSA-N 427.280 1.072 0 40 IDAB COc1ccc(/C=C/C(=O)OCC(=O)c2ccc[nH]2)cc1S(=O)(=O)N1CCOCC1 3335754 GRWRSNAZIPXLMH-FNORWQNLSA-N 434.470 1.484 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)COC(=O)c2cc(C)oc2C)c(=O)[nH]c1=O 3534218 NLYVGSKFSCMSSE-UHFFFAOYSA-N 434.493 1.975 0 40 IDAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)CN3CCC(C)CC3)C2)cnn1C 6921754 LGWUUUPUHWVZJA-WMZOPIPTSA-N 425.599 1.366 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(=O)Nc3ccccn3)C2)cc1 9304956 UIPYRRCMSHPZPE-MRXNPFEDSA-N 446.529 1.636 0 40 IDAB COC(=O)N1CCc2c(sc(NC(=O)c3ccccc3S(C)(=O)=O)c2C(N)=O)C1 9325355 JSXXOKHGBFOOBH-UHFFFAOYSA-N 437.499 1.627 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)N3CCC(C(=O)O)CC3)C(C)C)CC2=O)cc1 9488254 FQTXAHMWVLFMEE-JXFKEZNVSA-N 445.516 1.512 0 40 IDAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)NCc1ccc2c(c1)OCO2 9672692 FYFWLKADQSSMKN-NRFANRHFSA-N 439.468 1.158 0 40 IDAB NC(=O)c1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 10939733 NCSIGCBQAXVMHF-UHFFFAOYSA-N 442.541 1.219 0 40 IDAB CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1nccs1 11326684 FHIVIYXNNOXPNR-WEKMIXOTSA-N 429.545 1.475 0 40 IDAB COc1cccc(CCNC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)c1 12085586 BHPHEPLFAZHRHM-DEOSSOPVSA-N 436.512 1.918 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc3c(OC)cc(OC)cc3n2C)CC1 12324917 DAWYFDULTRLSJV-AWEZNQCLSA-N 446.504 1.615 0 40 IDAB CCOC(=O)C1=C(CSc2nc(N)cc(=O)[nH]2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 12412590 SERWYQFBOORPLN-MRXNPFEDSA-N 445.457 1.044 0 40 IDAB CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 12630774 XJTIXQLXFSHLBA-MRXNPFEDSA-N 426.491 1.886 0 40 IDAB COc1cc(OC)c(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1Cl 12821121 LQORAUJURZWAMY-SNVBAGLBSA-N 429.882 1.461 0 40 IDAB O=C(CNC(=O)NCc1ccccc1)NCc1ccccc1S(=O)(=O)N1CCCCC1 12824255 XKAOEIQSZVDALY-UHFFFAOYSA-N 444.557 1.977 0 40 IDAB COC(=O)c1cccc(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c1 14896201 ZXUUNDGVVFOVTN-QGZVFWFLSA-N 444.465 1.511 0 40 IDAB CCN(C(=O)Cn1nnc(-c2ccc(Br)cc2)n1)[C@H]1CCS(=O)(=O)C1 15481679 OJBIOJAVADDFJZ-ZDUSSCGKSA-N 428.312 1.138 0 40 IDAB O=C(Nn1cnc2ccccc2c1=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 15599200 RCFZQSWZAXPXBG-HNNXBMFYSA-N 428.470 1.238 0 40 IDAB CC[C@H](C)[C@@H](NC(=O)N1CCN(C(=O)N[C@H](C(=O)OC)[C@H](C)CC)CC1)C(=O)OC 16810472 GCNHBHXKPVRWGP-SYMSYNOKSA-N 428.530 1.199 0 40 IDAB COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 17599337 NOBOSCWXFPFXRI-UHFFFAOYSA-N 430.442 1.324 0 40 IDAB CS(=O)(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)CCCn3cncn3)C2)C1 19573125 FCDGWGFWXSCAHZ-FQEVSTJZSA-N 433.534 1.274 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3OC)C1)C2=O 19699621 LUIHKSLAROHGIE-INIZCTEOSA-N 442.516 1.623 0 40 IDAB CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1CN(C(C)=O)CC2 19710571 UIKZXEPSUQPZSL-INIZCTEOSA-N 429.546 1.991 0 40 IDAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)CN4CCCC4=O)C3)nc2C)cc1 19766145 ZEZAOXWVLVYYTQ-MRXNPFEDSA-N 437.500 1.984 0 40 IDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCCN4CCOCC4)nn12)CC(C)(C)OC3 20519468 HDQXKNFYHLTFHL-UHFFFAOYSA-N 444.561 1.951 0 40 IDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 21668519 PQDDDUQSTJHZTK-QGZVFWFLSA-N 429.564 1.614 0 40 IDAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)C1 22693646 ULOWPZTVVAOJRU-INIZCTEOSA-N 429.970 1.867 0 40 IDAB O=C(CN1CCN(CC(=O)N2CC(=O)Nc3ccccc32)CC1)Nc1ccccc1Cl 22796784 YNGRVSWPBJINHG-UHFFFAOYSA-N 441.919 1.881 0 40 IDAB CCOC(=O)Cc1csc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)n1 23137037 RBISRJAGNSCFTH-LBPRGKRZSA-N 438.531 1.546 0 40 IDAB O=S1(=O)CC[C@@H](S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)C1 31772937 IFQZDOUSUCXBIZ-MRXNPFEDSA-N 433.504 1.587 0 40 IDAB CCN(CC(=O)Nc1ccccc1OC)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 33000585 LCCOQGHDTFATQY-HSZRJFAPSA-N 438.484 1.949 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@H]2[C@@H](C(=O)NCc3cccs3)[C@H]3C=C[C@]21O3 35313250 FVPQTNDTWVLOFT-YGRDSASPSA-N 429.542 1.592 0 40 IDAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)N(C)S(=O)(=O)N1 72335199 WBVHLCYQTVPRDF-ZETIMSEASA-N 435.594 1.641 0 40 IDAB CC(C)(C)S(=O)(=O)c1ccsc1C(=O)NCCn1nnn(-c2cccs2)c1=O 72341061 WTDRLIZFRIYLRR-UHFFFAOYSA-N 441.560 1.554 0 40 IDAB O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2F)CC1 77099312 PKCSHPUERVPZPT-UHFFFAOYSA-N 426.423 1.826 0 40 IDAB COc1ccc(Br)cc1S(=O)(=O)N1CCC(C(=O)NCCCO)CC1 95367801 KGUKNDPKCIGJEV-UHFFFAOYSA-N 435.340 1.357 0 40 IDAB O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 95431427 WVKNISVANMDAJY-UHFFFAOYSA-N 449.514 1.293 0 40 IDAB O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 95991644 LBHFFRPBLHQUEC-CVEARBPZSA-N 426.922 1.893 0 40 IDAB CC(=O)NCC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CCN2Cc1ccccc1 96230410 NUUWLRDXFVATNB-UHFFFAOYSA-N 449.555 1.736 0 40 IDAB COc1ccc(CC(=O)N2CCc3nc(N4CCOCC4)nc(N(C)C)c3CC2)cc1 96254915 HVWMZIHGVISARC-UHFFFAOYSA-N 425.533 1.558 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@H](C(=O)OC)[C@@H]3C2=O)cc1 102916350 OGHTWSBACFWVHF-DMDPSCGWSA-N 448.478 1.534 0 40 IDAB COc1ccc(C(=O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1CN1CCOCC1 257265492 LYWIIWXVYCQMHF-UHFFFAOYSA-N 447.513 1.605 0 40 IDAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCCN1CCOCC1 408597999 YPKUNXDGVUZAES-UHFFFAOYSA-N 439.578 1.433 0 40 IDAB COCCNC(=O)c1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)ccc1C 408627296 ZFFUQKSVVDHDBE-UHFFFAOYSA-N 436.530 1.909 0 40 IDAB O=C(NCC1(N2CCOCC2)CCSCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 1775973859 HZLLTALVLKREAG-UHFFFAOYSA-N 446.573 1.466 0 40 IDAB CCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 8753636 NIPXTTDVIXSSFN-LBPRGKRZSA-N 432.531 1.991 0 40 IDAB COCCn1c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nnc1-c1ccccc1 9638084 SRPOFWCFHYUTAS-UHFFFAOYSA-N 442.501 1.334 0 40 IDAB O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 12632675 KPSDPPKCNPPTCA-UHFFFAOYSA-N 426.463 1.861 0 40 IDAB C[C@@H](O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(=O)O 12759050 LCVOEJJLTFTRGA-YGRLFVJLSA-N 438.424 1.056 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C)Cc4ccccc4C(=O)O3)CC2)cc1 12806341 MLKYJZWKFHCZHI-QFIPXVFZSA-N 428.510 2.000 0 40 IDAB C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 12911356 NCOBCQVAZGCONL-MAUKXSAKSA-N 449.529 1.577 0 40 IDAB CC(C)(CNC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)N1CCOCC1 12976454 UOHJFAPZXXVQPN-DEOSSOPVSA-N 438.528 1.834 0 40 IDAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 13018681 HFERUWDRFYWWRJ-HXUWFJFHSA-N 443.525 1.793 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cn3nnc(-c4ccccc4)n3)CC2)c1 14245593 NRGHHMVOWYPLOL-UHFFFAOYSA-N 444.517 1.321 0 40 IDAB Cc1occc1-c1nnc(SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)n1C 16045596 ZLLJCQXIKNDKCN-FQEVSTJZSA-N 440.485 1.974 0 40 IDAB COCC(=O)N1CCc2nc3cc([C@@H]4CCCN(C(=O)C(C)(C)C)C4)nn3c(O)c2C1 19081249 FIQSJKVFOVBIAL-CQSZACIVSA-N 429.521 1.718 0 40 IDAB COc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@]3(CCc4ccccc4C(=O)N3)C2)cc1F 19559641 KHKHSDNDMASDPR-YCRPNKLZSA-N 434.489 1.562 0 40 IDAB Cc1cc(=O)n2nc(CN3CCNC(=O)[C@H]3c3c(C)nn(-c4ccccc4)c3C)sc2n1 24215867 GXJLJOMSCIDOSW-HXUWFJFHSA-N 449.540 1.935 0 40 IDAB COc1ccc([C@@H]2CCCN2C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 25716242 PQGUVTNTEVBGQS-KRWDZBQOSA-N 425.489 1.586 0 40 IDAB O=C(NCCC(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccccc1 32788134 BTGGBWYXEADVFH-HXUWFJFHSA-N 438.484 1.851 0 40 IDAB NC(=O)c1ccc(N2CCN(C(=O)COc3ccc(F)cc3Br)CC2)nc1 32916659 BZWRWGDXFWEHCW-UHFFFAOYSA-N 437.269 1.810 0 40 IDAB COCCNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O 32947214 MNIGJNSTRNCJID-JTQLQIEISA-N 430.324 1.395 0 40 IDAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 33407918 UMPBOSVMJAMGIS-QIPHDZALSA-N 438.461 1.788 0 40 IDAB O=C(CN1CCN(c2cnccn2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 36392087 JIHSKDXQHTXMON-UHFFFAOYSA-N 434.466 1.966 0 40 IDAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCCS(=O)(=O)N1CCc2ccccc21 40091135 NEGPEXRFYJUJSE-UHFFFAOYSA-N 444.509 1.929 0 40 IDAB CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)c2)n1 48277495 KGIFJYCUQVOMFF-UHFFFAOYSA-N 448.439 1.247 0 40 IDAB C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cc2F)C[C@@H](C)O1 48291012 KTSVMSVSZGQXEU-FMKPAKJESA-N 428.530 1.985 0 40 IDAB O=C(NCc1ccnc(Oc2ccccc2)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 57996138 IKRHFEJOFBTPQF-IRXDYDNUSA-N 429.498 1.526 0 40 IDAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 58129754 MBKYGRPYTXISTM-OAHLLOKOSA-N 438.550 1.867 0 40 IDAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 65590312 YSVONJXWRUZMKI-CHUTXNTCSA-N 431.558 1.360 0 40 IDAB COc1ccccc1-n1ccn(CC(=O)NCc2cccc(OC)c2OC)c(=O)c1=O 67256413 KRLGFQVQDGYCTA-UHFFFAOYSA-N 425.441 1.341 0 40 IDAB COc1ccccc1Nc1nc(N)nc(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1 72308904 CNUYEITUIKYBOR-FQEVSTJZSA-N 426.481 1.016 0 40 IDAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)NCc1ccc2c(c1)OCO2 72326035 BLZBIOSFBMVRDB-HSZRJFAPSA-N 437.452 1.563 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)cc(C)c1C 89585672 HRVMITDBZDDDQS-HOTGVXAUSA-N 441.550 1.576 0 40 IDAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(F)c4)[C@@H]3C2=O)cc1OC 101169836 OSIBDANQJVOQNR-ROUUACIJSA-N 427.392 1.775 0 40 IDAB CCOC(=O)Cn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(F)ccc21 101345556 NCWSLSXJCOBKAP-DPHDRGAJSA-N 443.522 1.646 0 40 IDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1Cc1ccccc1CN1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 104161678 AFZBOEIXLDLNRS-GWLLLGGASA-N 436.464 1.011 0 40 IDAB COc1cc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC 224199972 MUDBWIUCAFKYIE-UHFFFAOYSA-N 438.502 1.772 0 40 IDAB COC[C@@H]1O[C@H](O[C@@H](CCCCCC(C)=O)CCCCCC(=O)O)[C@@H](O)[C@H](O)[C@H]1O 253534720 IBDPEULNUMJDEE-YUWMHKDHSA-N 434.526 1.400 0 40 IDAB biogenic,in-vitro CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 409294219 AJQNARSDGDCJKO-QZNHQWIBSA-N 439.342 1.971 0 40 IDAB Cc1ccn(-c2ccc(N3CCN(CC(=O)N4CCN(c5ccccc5)CC4)CC3)nn2)n1 1889249483 CMIZBFGUCCGQBK-UHFFFAOYSA-N 446.559 1.442 0 40 IDAB CNCCOc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O 2037879512 AODAFBGIIKJQIR-KSSFIOAISA-N 447.919 1.869 0 40 IDAB CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O 3593073 OWJQEDVBVLKJGW-QGZVFWFLSA-N 425.283 1.840 0 40 IDAB CC(C)CNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 3593217 ILZRNSFCHVOJTQ-KRWDZBQOSA-N 425.283 1.698 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 7425560 PDQNXQOLCGIKEW-MRXNPFEDSA-N 427.505 1.408 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 9257519 CWURUNMQZXDZFC-UHFFFAOYSA-N 443.529 1.500 0 40 IDAB Cc1cccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1 9713230 ICHIOGDXUGHRLR-UHFFFAOYSA-N 428.452 1.599 0 40 IDAB Cc1cc(C)nc(SCCn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248512 DCVZIICKELQSAK-GFCCVEGCSA-N 429.550 1.859 0 40 IDAB COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 12409643 FCTPXGZIKKODIT-UHFFFAOYSA-N 448.526 1.855 0 40 IDAB CCOc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 12444811 UIMVGPOIRBZHDH-UHFFFAOYSA-N 432.546 1.291 0 40 IDAB Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)Cc2cccc3ccccc23)CC1 12735976 XZXRWMBDJSLNER-UHFFFAOYSA-N 431.539 1.974 0 40 IDAB Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 12975193 VGQDWQJLOICDIT-GOSISDBHSA-N 437.587 1.915 0 40 IDAB Cc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)n2)cc1 12987207 ZGEKUVJIORFBOK-HXUWFJFHSA-N 448.483 1.159 0 40 IDAB CC(C)CN(C(=O)CN1CCC(C)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13041046 RRDPDUYQXOSLNZ-UHFFFAOYSA-N 427.549 1.888 0 40 IDAB COC(=O)c1c(NC(=O)C(=O)NCCCN2CCOCC2)sc2c1CC(C)(C)OC2 13593201 MAFIDDJXOCAWDZ-UHFFFAOYSA-N 439.534 1.163 0 40 IDAB COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccccc1 13728548 TVUPHWXEXRUSKA-UHFFFAOYSA-N 438.527 1.876 0 40 IDAB Cc1nn(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c(=S)[nH]1 14159230 DVZHKXVDDXSWCY-UHFFFAOYSA-N 432.369 1.976 0 40 IDAB O=C(CCNS(=O)(=O)c1ccccc1F)NCC(=O)Nc1ccc(F)c(F)c1F 14200428 YGKSKISLYDLRJB-UHFFFAOYSA-N 433.383 1.666 0 40 IDAB CN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Br 14251099 KGBNQFXXPMGSQX-UHFFFAOYSA-N 446.348 1.546 0 40 IDAB 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)COP(=O)(O)O 15449253 JDOZJEUDSLGTLU-UUHAENJBSA-N 440.429 1.675 0 40 IDAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccc4c(c3)OCO4)=C2)cc1 15952178 WFOPFACEFOSNQP-UHFFFAOYSA-N 429.454 1.604 0 40 IDAB Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 15969312 SEVGYGLCWSWWEZ-UJAPCULTSA-N 446.507 1.142 0 40 IDAB biogenic Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 16026193 NOQMWPSDBROJAC-BKJGLDIHSA-N 432.480 1.099 0 40 IDAB biogenic COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(C(=O)c2ccco2)CC1 16943047 DELFSCPEHFRTTP-UHFFFAOYSA-N 426.404 1.571 0 40 IDAB O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 17063900 DPFGZQMTBACDAJ-UHFFFAOYSA-N 426.292 1.284 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCN(C4CCCC4)CC3)CC2)Nc2ccccc21 19374627 RBYGYTWIEFLBDD-DEOSSOPVSA-N 439.560 1.638 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3C)C1)C2=O 19699752 KBDXVRHSPXFRKX-LJQANCHMSA-N 440.544 1.852 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(C)ncc2C(=O)N2CCOCC2)cc1 19767102 YULSKJFVOXFXPA-IBGZPJMESA-N 446.529 1.792 0 40 IDAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccccc2)cc1 19943129 NGFGBRLUILQRMA-UHFFFAOYSA-N 447.557 1.729 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 20745947 HRVLHCDRJLLYHB-UHFFFAOYSA-N 426.882 1.064 0 40 IDAB O=C1C[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1CCc1ccccc1 21817360 JNWYNKWSJAFMHP-FQEVSTJZSA-N 427.526 1.363 0 40 IDAB CN1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)CC1 22768377 QTXFXSDNBAQWOF-HNNXBMFYSA-N 428.493 1.532 0 40 IDAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)NN1C(=O)NC2(CCCCC2)C1=O 23717465 NRDZXHSKPITDOU-LLVKDONJSA-N 440.551 1.507 0 40 IDAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 25404607 YIQLDXQBKAAOHW-JXFKEZNVSA-N 444.532 1.518 0 40 IDAB Nc1ccc(S(=O)(=O)Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 32604820 AEWZZFSMOITMDM-UHFFFAOYSA-N 427.490 1.835 0 40 IDAB CC(C)CNC(=O)NC(=O)COC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 34718862 VTSCDJZBTTZXPT-GZTJUZNOSA-N 438.444 1.956 0 40 IDAB COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 57415585 ILMWGOUCBPDTTJ-GOSISDBHSA-N 426.452 1.219 0 40 IDAB CCN(CC)C(=O)CN1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1 60091703 NFHNZSQQCMZZSZ-UHFFFAOYSA-N 443.592 1.811 0 40 IDAB O=S(=O)(Cc1cccc(F)c1)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70924427 OZMHRQLDTWTWGV-UHFFFAOYSA-N 427.523 1.741 0 40 IDAB CCn1nc([C@@H](C)C(=O)NCCn2nnn(-c3cccs3)c2=O)c2ccccc2c1=O 72341025 DLDMMNAMIFSQMG-CYBMUJFWSA-N 439.501 1.140 0 40 IDAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)CNC(C)=O)nc32)cc1 72371916 PGBBRNYMOWCEFQ-IBGZPJMESA-N 437.500 1.683 0 40 IDAB CCCS(=O)(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ccccn3)C[C@@H]2C1 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1.749 0 40 IDAB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)NC(=O)NC 9157242 QAQJLXCCWWFVPR-UHFFFAOYSA-N 425.555 1.575 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(=O)[nH]c1=O 9223220 YUUZINTYMCYYEH-UHFFFAOYSA-N 448.480 1.863 0 40 IDAB Cn1c(=O)c2c(SCC(=O)NC3CCCC3)nc(-c3cccs3)nc2n(C)c1=O 9411570 LZMDWAWSMYWDPE-UHFFFAOYSA-N 431.543 1.907 0 40 IDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccc(Cl)cc1 9420273 VRQWTZKZHQYQGM-DLBZAZTESA-N 442.907 1.658 0 40 IDAB O=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 9561710 AYLBDGPFRCIFCI-RDJZCZTQSA-N 447.465 1.008 0 40 IDAB CC(C)[C@@H](C(=O)OCC(=O)NC(=O)NCc1ccco1)N1C(=O)c2ccccc2C1=O 9589206 CKJJZTOJMYWYPR-KRWDZBQOSA-N 427.413 1.469 0 40 IDAB COC(=O)C1CCN(C(=O)c2cn(C)c3c(=O)n(-c4ccc(F)cc4)c(=O)[nH]c23)CC1 9820513 VVAFRUUZJFZVAS-UHFFFAOYSA-N 428.420 1.182 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n(C)c1 10027704 QJSHPZILXVOXMM-UHFFFAOYSA-N 448.501 1.153 0 40 IDAB Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)no1 11279974 COSSQTNEUKVXLV-UONOGXRCSA-N 446.485 1.714 0 40 IDAB Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(=O)(=O)N1CCOCC1 11479872 MMHQKRAQBOVPGD-UHFFFAOYSA-N 429.549 1.180 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 12140186 GDWQBVABKVAMPO-LJQANCHMSA-N 449.504 1.304 0 40 IDAB COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 12508105 XTSCWNDMRDTLET-UHFFFAOYSA-N 449.304 1.684 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 12813446 BYSQFSWEWYWLLF-UHFFFAOYSA-N 429.498 1.873 0 40 IDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1cnc2sccc2c1=O 13038246 DMZRLJJPBWLRQG-UHFFFAOYSA-N 425.470 1.370 0 40 IDAB CC[C@@]1(c2ccc(NC(=O)C(=O)NCCn3nc(C)cc3C)cc2)CCC(=O)NC1=O 13734851 WBOCWCNELUEJOL-QFIPXVFZSA-N 425.489 1.339 0 40 IDAB COc1ccc(OC)c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 14192993 KPNMVDNFJKCVQN-UHFFFAOYSA-N 433.530 1.957 0 40 IDAB CC1(C)NC(=O)N(CCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O 14242380 MECZSSFQMCFVFX-UHFFFAOYSA-N 430.461 1.313 0 40 IDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1C 14255426 VUDXUSLMBQXAOB-KGLIPLIRSA-N 428.507 1.389 0 40 IDAB CC(C)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1Cl 16839464 WHMIWIBEIKIPJO-ZDUSSCGKSA-N 435.912 1.595 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCc3ccco3)CC2)c1 17305091 UUBYAIRVQUGZBK-UHFFFAOYSA-N 433.530 1.826 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)NCC(=O)Nc2cccc(Cl)c2C)ccc1OC 18147215 SFGYBMJQXFUDHU-UHFFFAOYSA-N 425.894 1.934 0 40 IDAB O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3C(=O)c3cnccn3)[nH]c(=O)c2C1 19332096 QKWOSNSQLIQFQB-LJQANCHMSA-N 448.458 1.875 0 40 IDAB COc1ccccc1[C@H]1N=C2NCN(N3CCN(C)CC3)CN2c2nc3ccccc3n21 20220177 VKWVLZJQWXXAJN-NRFANRHFSA-N 432.532 1.750 0 40 IDAB COc1ccc(CC(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3CCN(C(C)=O)CC3)C2)cc1 20463236 BEOJRMDQIMAUDB-SFTDATJTSA-N 445.560 1.731 0 40 IDAB biogenic,in-vitro Cc1nn(Cc2noc(C(=O)NCCNC(=O)c3ccccc3)n2)c(C)c1Br 21455172 FSRGRPBARQWPGF-UHFFFAOYSA-N 447.293 1.854 0 40 IDAB Cc1cc(C)cc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1 22379565 KJMVKNCXTPCTFL-UHFFFAOYSA-N 439.559 1.958 0 40 IDAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 22791019 WOILUIAOWVJFRE-UHFFFAOYSA-N 428.533 1.953 0 40 IDAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22824850 JHPNVCHBTFJQEL-DZGCQCFKSA-N 435.468 1.717 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccc(C)cc2)c(=O)n1CC(=O)N1CCC(C)CC1 33528106 QRBHUUKEZCVLQB-PVAQLMIFSA-N 428.554 1.649 0 40 IDAB COC(=O)c1cn([C@H]2CCCC[C@H]2NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)nn1 40152508 TUDJJWLHMPJTJQ-ZBFHGGJFSA-N 446.508 1.262 0 40 IDAB COCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(OC)c(OC)c2)c1=O 44841155 WGYRBYUBPPYKPL-UHFFFAOYSA-N 441.484 1.533 0 40 IDAB CC(=O)N1CCN(CCNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)CC1 69443223 LNJXMVDBDPFTCK-UHFFFAOYSA-N 432.594 1.716 0 40 IDAB Cc1cccc(-c2noc(CNC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)n2)c1 219270126 NZROZPZWGIOBMR-KRWDZBQOSA-N 428.470 1.888 0 40 IDAB C[C@@H](C(=O)NCCCN1CCOCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220436284 DECGEOYADRNSIK-ZDUSSCGKSA-N 438.377 1.986 0 40 IDAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1 252523046 BSFRMZFDGMATCW-UHFFFAOYSA-N 445.541 1.758 0 40 IDAB O=C(c1ccc(=O)n(Cc2ccc(F)cc2)n1)N1CCN(c2cc3c(nn2)CCC3)CC1 575620166 OGDNASGMGQVBAS-UHFFFAOYSA-N 434.475 1.672 0 40 IDAB COc1cc(C)ccc1S(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@H]2C1 1888930534 NXYHSBQKITZWAX-GJZGRUSLSA-N 428.518 1.437 0 40 IDAB O=C1Nc2ccc(S(=O)(=O)N3CCCC3)c3ccc(S(=O)(=O)N4CCCC4)c1c23 628557 FJZSFTDTAPXLGV-UHFFFAOYSA-N 435.527 1.975 0 40 IDAB Cc1cc(=O)oc2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cnn(C)c4)C3)ccc12 2806610 IKDXPCIXOCPART-AWEZNQCLSA-N 430.486 1.874 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(C)(C)C)n2N)c1 3295631 DNRNKQVFRFROBI-UHFFFAOYSA-N 440.595 1.696 0 40 IDAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 4144331 GRPFDCPNNYNHDW-HNNXBMFYSA-N 431.543 1.131 0 40 IDAB 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O=C(COc1ccc(-n2cnnn2)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13164729 VRIVYKFFCQUBNW-UHFFFAOYSA-N 428.474 1.464 0 40 IDAB CCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 13608073 XGDBRZHVOZTLJU-UHFFFAOYSA-N 439.607 1.940 0 40 IDAB Cn1c(=O)c2nc(SCC(=O)Nc3ccccc3C(F)(F)F)n(C)c2n(C)c1=O 15882247 HUACSTSHIKHRDS-UHFFFAOYSA-N 427.408 1.720 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccccc3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16022058 PBHPEXDLKNNCAD-ZHSNQQFMSA-N 439.899 1.950 0 40 IDAB O=C(O)[C@H]1[C@@H](c2ccccc2)N2[C@H](C(=O)O)[C@H](C(=O)O)[C@H](c3ccccc3)N2[C@H]1C(=O)O 19170562 RCMUBGHNTZSDQN-XFZGEKFBSA-N 440.408 1.323 0 40 IDAB CC(C)NC(=O)[C@H]1CN(C(=O)CCc2ccno2)C[C@@H]1c1ccnc(N2CCCC2)n1 19450059 PHESPXJBZNQDFE-ROUUACIJSA-N 426.521 1.764 0 40 IDAB CCOC(=O)C1CCN(C(=O)Cn2nc3c4ccccc4nc(C(C)C)n3c2=O)CC1 19530385 ZPPXDVXERRARHU-UHFFFAOYSA-N 425.489 1.969 0 40 IDAB CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1CN(C(C)=O)CC2 19710570 UIKZXEPSUQPZSL-MRXNPFEDSA-N 429.546 1.991 0 40 IDAB Cc1nc([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)nc2c1CC(=O)N2CC1CC1 19739626 AELYQDMNMZZSSZ-MRXNPFEDSA-N 430.534 1.734 0 40 IDAB CN(c1ccc(OCC(=O)NCCCN2CCOCC2)cc1)S(=O)(=O)c1ccccc1 19937871 HUFJIBMPRGFPJB-UHFFFAOYSA-N 447.557 1.729 0 40 IDAB CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 20032253 TXTRLAWIBOAODK-UHFFFAOYSA-N 443.591 1.149 0 40 IDAB COc1ccccc1N1CCN([C@@H]2[C@@H](O)[C@H](N(CC3CC3)CC3CC3)[C@H]3CO[C@@H]2O3)CC1 20463632 KNJFWLYOKRBHSX-UUFXTFJOSA-N 443.588 1.792 0 40 IDAB biogenic,in-vitro COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21 20635786 BESCMFDZTPDWST-LLVKDONJSA-N 432.868 1.622 0 40 IDAB Cc1cc(NC(=O)CSCC(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)no1 23528331 AHLUTCKSOHHSRC-GFCCVEGCSA-N 426.495 1.745 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnnn1Cc1cccs1)C2=O 23819243 UJWGWJJEKPOBFW-UHFFFAOYSA-N 435.535 1.407 0 40 IDAB COCC(=O)Nc1cccc(CNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)c1 29263419 OWHGJXQDEGYHNB-UHFFFAOYSA-N 447.513 1.459 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCN(c3ccccn3)CC2)CC1)Nc1ccc(F)cc1 32759663 BAZGMPXWPJNVLH-UHFFFAOYSA-N 440.523 1.126 0 40 IDAB Cc1cc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@@H]3CS2(=O)=O)ccc1N1CCCC1 32858258 MJEMYWQKLIODEE-POAQFYNOSA-N 434.562 1.941 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 32869676 GIFODKPDTVAHEB-UHFFFAOYSA-N 445.427 1.649 0 40 IDAB O=C(Nc1nccs1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 36354045 VJSQNKXRBAYYIL-CYBMUJFWSA-N 436.515 1.156 0 40 IDAB O=C(NCc1ccncc1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945245 VUICCJGSADOGDO-NRFANRHFSA-N 433.512 1.971 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(N3CCCC3)nn2)s1 58224945 KQUZJHJFEXKLFA-UHFFFAOYSA-N 438.531 1.270 0 40 IDAB CN1C[C@H](NC(=O)c2cnccn2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 96113347 JZUSVFOVIYLEPN-CRAIPNDOSA-N 445.470 1.818 0 40 IDAB biogenic,in-vitro CCOC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]32)cc1 102442241 NGRMHTNKLNULNF-ROUUACIJSA-N 439.403 1.934 0 40 IDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 223280201 FMHTYMMIADYQHB-UHFFFAOYSA-N 436.442 1.185 0 40 IDAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCCN(C)C)cc3)C2)ncn1 257288217 PTJQUJJDYMQVLY-QHCPKHFHSA-N 427.549 1.829 0 40 IDAB C1CC[C@@H](N2CCOCC2)[C@@H](NCCOCCN[C@@H]2CCCC[C@@H]2N2CCOCC2)C1 566953419 LZAUUWNWCIYZHY-NVPYSNMXSA-N 438.657 1.469 0 40 IDAB C[C@H]1CCC[C@@]1(O)CNC(=O)CN(CC(=O)NC[C@@]1(O)CCC[C@H]1C)c1ccccc1 568128124 HQNXKJBRAIQZLP-WLJAXQAKSA-N 431.577 1.828 0 40 IDAB FC(F)(F)c1nnc(CN2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)o1 1888918072 UAIKDEOXDJVITD-GFCCVEGCSA-N 438.414 1.729 0 40 IDAB Cc1nc(N2CCCC2)cc(N2CCN(CC(=O)N3CCN(c4ccccc4)CC3)CC2)n1 1889224952 HFLXVZFAXHURLE-UHFFFAOYSA-N 449.603 1.856 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1 3443316 FLEMVKSRHZMNIM-UHFFFAOYSA-N 430.490 1.710 0 40 IDAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 8941419 MIBZDDDFLRETTE-GFCCVEGCSA-N 430.313 1.881 0 40 IDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)c1 9426251 UFHDQKZEMIEXQO-VLMPBXDWSA-N 443.408 1.129 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)Nc3cccc(F)c3)C2)cc1 9486696 ZRDKISXZFSECOK-HNNXBMFYSA-N 449.504 1.990 0 40 IDAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc3c(c2)OCCCO3)c1 11763753 LEKWJCRZRGORKV-UHFFFAOYSA-N 433.486 1.584 0 40 IDAB Cn1c2c(c(=O)n(C)c1=O)[C@](O)(c1ccc(Br)cc1)N=C1SC=CN1C2 12427882 BBUIUGSIUPUCCT-QGZVFWFLSA-N 435.303 1.430 0 40 IDAB COc1ccc(CCC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 12444833 QUZTYTPGPQGBMA-UHFFFAOYSA-N 432.546 1.291 0 40 IDAB NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccccc2)c2ccccc2F)c1N 12472610 SGOOPAZSFBLCHY-UHFFFAOYSA-N 427.461 1.927 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1C(N)=O 13016178 BPFMYZSJEZLUKK-UHFFFAOYSA-N 437.547 1.109 0 40 IDAB COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 16954157 MCTUMHISWQFGTC-UHFFFAOYSA-N 447.495 1.853 0 40 IDAB COc1cc([C@H]2CC(=O)c3cnc(N4CCN(CCO)CC4)nc3C2)cc(OC)c1OC 19636106 QUEMOTAFFLMBBG-OAHLLOKOSA-N 442.516 1.529 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 22389255 LNOAQCXMGNGXDQ-UHFFFAOYSA-N 443.591 1.710 0 40 IDAB CCCn1c(=O)n(C)c(=O)c2c(SCCN3C(=O)CCC3=O)nc(CC(C)C)nc21 23103583 DMJWMDXWUGXQDU-UHFFFAOYSA-N 433.534 1.340 0 40 IDAB CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 25664876 QTKLLDKZZDTARF-UXHICEINSA-N 438.484 1.168 0 40 IDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 36762939 NTJCLGUHVPHZST-SFHVURJKSA-N 439.545 1.827 0 40 IDAB O=C(Cc1ccc(NS(=O)(=O)CCN2C(=O)CCCC2=O)cc1)NCc1cccs1 38678514 OWPGDANLXXDPNZ-UHFFFAOYSA-N 449.554 1.888 0 40 IDAB C[C@]1(c2cccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)c2)NC(=O)NC1=O 40111099 WZWOCSDWRIPQES-HXUWFJFHSA-N 428.470 1.316 0 40 IDAB CCOC(=O)N1CCC(NC(=O)CCn2nc(-c3ccc4c(c3)OCO4)ccc2=O)CC1 41253888 MDBBHRDHZVVTKN-UHFFFAOYSA-N 442.472 1.766 0 40 IDAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)o1 48263161 HHLODEMWRQMQQM-KRWDZBQOSA-N 447.513 1.394 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cc(C3CC3)on2)CC1 56908011 LKEQLEIYCRLDBX-INIZCTEOSA-N 433.534 1.687 0 40 IDAB COc1cc(Br)c(S(=O)(=O)NCC2(C(N)=O)CCOCC2)cc1OC 59746060 CVLGAWVKPAIRSK-UHFFFAOYSA-N 437.312 1.027 0 40 IDAB CC1(C)C(=O)N2c3ccccc3[C@]3(C[C@@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@H]2N1O 85564482 NRWLZYIHXSJKCU-HCLVMJGWSA-N 432.436 1.936 0 40 IDAB biogenic,in-vitro CN(C)c1nc(N2CCOCC2)nc2c1CCN(C(=O)NCc1cccc(F)c1)CC2 96254922 RTSXNWCJEFDDCB-UHFFFAOYSA-N 428.512 1.829 0 40 IDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 102325724 VJOFIPHKADYWFZ-SOUVJXGZSA-N 430.457 1.874 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 107913746 KSQBJQBUSNNORM-SMTRIPRVSA-N 447.491 1.589 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c(C)c1C 224326386 ZDYGDOFQLPIKIY-UHFFFAOYSA-N 447.561 1.450 0 40 IDAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1 252487102 HSQAZHCSEDVWHV-UHFFFAOYSA-N 438.481 1.606 0 40 IDAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C)C(=O)NCc2ccncc2)cc1 260726441 YOXKEGCSUZXTOR-MRXNPFEDSA-N 448.545 1.015 0 40 IDAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCCN1CCOCC1 408619786 NJOZFSRUCYRSLE-UHFFFAOYSA-N 435.521 1.860 0 40 IDAB CCNC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1C 408622351 NHDKMAWAFHRFMG-UHFFFAOYSA-N 445.541 1.980 0 40 IDAB CCN1C(=O)N/C(=C/c2ccc(OCC(=O)OC)c(I)c2)C1=O 409175064 YYNBLTVZVBVAML-YRNVUSSQSA-N 430.198 1.756 0 40 IDAB C[C@@]1(c2cccc(CNC(=O)NC[C@@H](O)c3cc(F)c(F)c(F)c3)c2)NC(=O)NC1=O 1678011286 CKWFNSGHDFRJBD-QRWLVFNGSA-N 436.390 1.691 0 40 IDAB Cc1nc(N2C[C@@H]3CN(C(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C[C@H]3C2)nc(O)c1F 1888897862 RFZPUYDWEZWTEL-GJZGRUSLSA-N 449.508 1.088 0 40 IDAB COc1cc2oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c(C)c2cc1Cl 2116670 SNJSGRRICZYRNP-SFHVURJKSA-N 438.864 1.648 0 40 IDAB biogenic Cc1ccc([C@H](CC(=O)O)Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 8680446 WVSNBQMWNXFFPT-KRWDZBQOSA-N 428.493 1.481 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4cccc(OC)c4)c(C)c(C)n23)n(C)c1=O 8709689 UKAOUTQHXRQAMM-UHFFFAOYSA-N 425.445 1.327 0 40 IDAB Cn1c(=O)c2c(SCC(=O)N3CCCCC3)nc(-c3ccccc3F)nc2n(C)c1=O 8902015 BVLTUUIKMCQHKI-UHFFFAOYSA-N 443.504 1.938 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 9403479 RGRSJECZGYTCLE-UHFFFAOYSA-N 439.515 1.467 0 40 IDAB CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)Nc2nccs2)CO1 9410503 KDHCCACNQZJXKV-UHFFFAOYSA-N 436.515 1.164 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O 9412782 MZEGYYNAFCFBBF-UHFFFAOYSA-N 436.403 1.932 0 40 IDAB Cc1occc1-c1nnc(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)n1N 9585540 IYLXSOZALYMEDE-CYBMUJFWSA-N 427.552 1.324 0 40 IDAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1 9660604 FAAYTWSSZQCORG-UHFFFAOYSA-N 444.491 1.974 0 40 IDAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 10255955 GIQLPBFGCZAHKM-IBGZPJMESA-N 429.498 1.025 0 40 IDAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cn2cccn2)cc1 11402432 SZAFZOGPFGCLRW-UHFFFAOYSA-N 440.525 1.882 0 40 IDAB CCCCN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)c1c(N)n(CCCC)c(=O)[nH]c1=O 12858860 FKMXNFBUGFTYDX-MRXNPFEDSA-N 428.489 1.834 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1C 13009317 RSDAGQCLJKWPEF-UHFFFAOYSA-N 428.518 1.799 0 40 IDAB COc1ccccc1/C=C1\SC(=O)N(CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1=O 13574445 AYQWDWWUXMGRNN-VQCBNXJZSA-N 438.527 1.767 0 40 IDAB NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 15958031 AQTXQMDMTDVYHA-PBWVOLNLSA-N 438.871 1.531 0 40 IDAB biogenic CNC(=O)c1cc([C@@H]2CN(C(=O)c3cnc(N(C)C)nc3C)CCO2)nc2ccccc12 19762793 MKXRPSOITVZISX-FQEVSTJZSA-N 434.500 1.973 0 40 IDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCCN(CC(=O)NC(C)(C)C)CC1 22931828 SKKLGVGWCIZQQL-LJQANCHMSA-N 445.608 1.669 0 40 IDAB Cc1cc(F)c2c(c1)C(=O)C(=O)N2CN1CCN(S(=O)(=O)N2CCCCCC2)CC1 29503889 JVFWBGDYGSUJJG-UHFFFAOYSA-N 438.525 1.359 0 40 IDAB CCN1C[C@H](C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1=O 32816007 GZGOJJOPLTWKCM-QGZVFWFLSA-N 441.532 1.415 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)c(C)c1 35594973 FALIPPJTKCNQHP-LJQANCHMSA-N 431.514 1.832 0 40 IDAB COc1ccccc1C(=O)NCCC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 48299290 ZKLPIRCEPBFHKD-GOSISDBHSA-N 428.411 1.505 0 40 IDAB O=C(NCC1CCN(c2ccccn2)CC1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 49522646 UZMMBNLXNBAFDG-UHFFFAOYSA-N 433.512 1.888 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)Nc2nccs2)CC1 56938880 NWHDXYSDOZLPEV-HNNXBMFYSA-N 438.579 1.077 0 40 IDAB CC(C)[C@@H](C(=O)N[C@H](C)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1)c1ccccc1 57775028 CQCLXYLNEFWXNF-IMFGXOCKSA-N 436.574 1.783 0 40 IDAB C[C@@H](CCc1ccco1)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326224 UDSWBOFLYZHAHB-NYHFZMIOSA-N 425.489 1.676 0 40 IDAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccncc1 95471240 DXYQTHMBFDPHGN-HUUCEWRRSA-N 434.493 1.765 0 40 IDAB CC(C)[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 95471249 RVBXWYYNNZLCTM-APWZRJJASA-N 437.562 1.347 0 40 IDAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1cccnc1 95471254 XXTIGXRVCQVXNU-CABCVRRESA-N 434.493 1.765 0 40 IDAB CN(C)S(=O)(=O)c1ccc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2c1 95944747 ACGIEYXPHPJJGQ-UHFFFAOYSA-N 449.514 1.482 0 40 IDAB O=C(CN1CCC[C@@H]1c1nnc2ccccn12)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 105553533 FFORUPXOIIASJN-RCCFBDPRSA-N 447.561 1.061 0 40 IDAB C[C@@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 225903706 JNYIQGHGWGMQQM-QGZVFWFLSA-N 449.625 1.168 0 40 IDAB Cc1cn([C@H]2CCN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)C[C@]2(C)O)c(O)nc1=O 257334276 YFFNYGIJLGSRFZ-KKSFZXQISA-N 445.907 1.944 0 40 IDAB COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)c1 408653076 HSEOTCGUBCHSJI-OAHLLOKOSA-N 441.440 1.379 0 40 IDAB CS(=O)(=O)N(CCCC(=O)NCCN1CCCCCC1)c1ccc2c(c1)OCO2 408704317 LUILBSPPSMQSPH-UHFFFAOYSA-N 425.551 1.954 0 40 IDAB COCCNC(=O)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)c2ccc(COC)cc2)C1 1565556372 SBNAPDMQGIRFRZ-HSZRJFAPSA-N 441.532 1.670 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)CCc5ccccc5)C[C@H]4C3)ncnc21 1888935238 IJQPWBXWNHBEAQ-HDICACEKSA-N 426.546 1.787 0 40 IDAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3nc(C)no3)c(=O)c3cc4c(cc32)OCO4)cc1 8593783 ASUJTCQAYSLROH-UHFFFAOYSA-N 449.423 1.579 0 40 IDAB CNC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1 8861011 ILYDJJZLOIPRKB-WMLDXEAASA-N 449.554 1.689 0 40 IDAB C[C@@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 9666216 CWMRTBWTJWTHNW-LZQZEXGQSA-N 443.500 1.569 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccncc1 9715270 SJHRNMDTLTXJBB-GOSISDBHSA-N 448.520 1.587 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCc3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 9763396 HQHOJDCECBCHFF-QGZVFWFLSA-N 436.468 1.475 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2C)cc1 9806826 QFCCXGUOHPLTNJ-INIZCTEOSA-N 431.514 1.912 0 40 IDAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(CCOCCO)c(C)cn34)n(C)c2=O)c1 10233365 RMBAHFQPYWLODY-UHFFFAOYSA-N 425.489 1.132 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)NCc3cccs3)CC1)O2 12087091 JZZUWOYREOGLNB-JOCHJYFZSA-N 443.525 1.947 0 40 IDAB COc1ncc(C(=O)N2C[C@@H](C(=O)NC(C)(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)cn1 12126854 UDDCWZQJWBUFTG-GAJHUEQPSA-N 437.500 1.197 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-n4cncn4)nc3)CC2)cc1 12528422 VNPUBJAMBHQHRZ-UHFFFAOYSA-N 442.501 1.710 0 40 IDAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1F 12862191 WCDDAELMFVGVON-UHFFFAOYSA-N 436.509 1.289 0 40 IDAB Cc1cc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2c(C)cc(=O)oc2c1 13571737 SEJFKXVGMGAXHN-UHFFFAOYSA-N 430.482 1.795 0 40 IDAB CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)NC(=O)NC1 16250320 OWNXAFJRZGKYTG-UHFFFAOYSA-N 449.891 1.865 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccc3F)[nH]c2=O)C1 19520467 FBLZUESXAKHZJP-SFHVURJKSA-N 448.520 1.984 0 40 IDAB CN1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C(C)(C)C)CC1 19973375 UIXHJFIXIISIIN-SFHVURJKSA-N 425.493 1.335 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 22401465 TZMIXODUSIXDQS-IBGZPJMESA-N 433.486 1.698 0 40 IDAB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(C(C)=O)CC1 23156659 DSCIGEGWYCNHJY-INIZCTEOSA-N 442.379 1.991 0 40 IDAB COc1cc(OC)c(C2=CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c(OC)c1 24653452 ZEYWKICPWNQVRY-UHFFFAOYSA-N 439.534 1.244 0 40 IDAB C[C@]1(NC(=O)CCC(=O)c2ccc(I)cc2)CCS(=O)(=O)C1 30998181 WFKQFOQVXCZUAL-HNNXBMFYSA-N 435.283 1.948 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)C(C)(C)C)n2Cc2ccc(F)cc2)n(C)c1=O 35291108 HZXWGCAOEJSASW-UHFFFAOYSA-N 430.484 1.195 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCCOCCOCC2)cc1 39988380 SGQTWOBIFXMJBR-LJQANCHMSA-N 426.535 1.040 0 40 IDAB Cc1ccccc1-n1ncc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1C1CC1 48253285 ZIXOPEOTJGTUAL-INIZCTEOSA-N 430.530 1.481 0 40 IDAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(C(=O)COCC(=O)O)C2)on1 72338468 VJTWOIDKLQAOQO-OAHLLOKOSA-N 429.477 1.847 0 40 IDAB CCN1CCN(C(=O)[C@H]2CCC(=O)NC(=O)N2)[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 72351807 FEZCDAONZYVXBA-NHCUHLMSSA-N 448.523 1.944 0 40 IDAB CC(=O)N1C[C@H](c2ccc(CN(C)Cc3ccnc(N4CCCC4)n3)cc2)[C@@H](C(N)=O)C1 72370202 DJRGQRMBLHIHLJ-YADHBBJMSA-N 436.560 1.756 0 40 IDAB CN(CCNC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)C(=O)OC(C)(C)C 78757663 XBYBVLRETGMVTR-UHFFFAOYSA-N 435.525 1.946 0 40 IDAB CSc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 83992988 FWTLKCNMJADLOZ-HNNXBMFYSA-N 433.577 1.075 0 40 IDAB CN(C)C(=O)COc1ccccc1C(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 95459666 DHQLTOXJYROUOU-UHFFFAOYSA-N 435.502 1.334 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 105377005 PPCAFGJIMNCBIO-SUCPGFJNSA-N 435.480 1.305 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)CC1 222599461 ROKPITGLLOJLIW-UHFFFAOYSA-N 427.523 1.542 0 40 IDAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCCN(C)C)cc3)C2)ncn1 257288216 PTJQUJJDYMQVLY-HSZRJFAPSA-N 427.549 1.829 0 40 IDAB Cc1ccc2[nH]c(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cnc5c(N)ncnc54)C3)nc2c1 257326951 WZFPOIMXQABHHO-OPAMFIHVSA-N 434.504 1.750 0 40 IDAB Cn1ccc(C(=O)N2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)n1 306140655 UZUYMXJZFHBMCF-AVRDEDQJSA-N 437.525 1.914 0 40 IDAB Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)c1 409262868 GAOAEMCPNXPMDI-UHFFFAOYSA-N 431.514 1.872 0 40 IDAB Cc1ccc(=O)n(CC(=O)N2CCCN(C(=O)CC(C)C)c3ccccc3CNCC2)n1 643557163 JZPGFRZIAYGLQJ-UHFFFAOYSA-N 439.560 1.953 0 40 IDAB CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)c1 1536375372 OAIPCEZJZPDEAU-UHFFFAOYSA-N 434.905 1.948 0 40 IDAB CCCn1c(N)c(C(=O)CN2CCC[C@@H]2c2cc(OC)ccc2OC)c(=O)n(C)c1=O 9113988 QSFJGFXGCICMAE-MRXNPFEDSA-N 430.505 1.576 0 40 IDAB Nc1cc(N)nc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)n1 9492680 JNGVQZJUAGIIEE-UHFFFAOYSA-N 436.563 1.937 0 40 IDAB Cn1cc(S(=O)(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c(=O)n(C)c1=O 9620486 KIPTXGADKIXXKN-HNNXBMFYSA-N 444.538 1.737 0 40 IDAB CNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NC)ccc2Br)cc1 9631686 MYYUWDOMXWFUFC-UHFFFAOYSA-N 426.292 1.969 0 40 IDAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccncc1 9715297 NTBROGCOXBLAEP-INIZCTEOSA-N 436.559 1.509 0 40 IDAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(OC)c(OC)c4)[C@H]3C2=O)cc1 9835882 RTYYFXIMHRVRMH-RTBURBONSA-N 439.428 1.644 0 40 IDAB CCN(CC(=O)N1CCC(c2ccccc2)=N1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10431441 ACMKYBLEZMOHHV-UHFFFAOYSA-N 446.511 1.630 0 40 IDAB CC(C)(C)c1ccc(OCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OC[C@@H]2CCCO2)cc1 12137041 WAODDSGIKJYOAQ-OALUTQOASA-N 432.517 1.802 0 40 IDAB CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 12747486 SJDOUMUSRZPCGC-UHFFFAOYSA-N 429.926 1.940 0 40 IDAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(=O)NCCN3CCCCC3)cc2)no1 13688044 RZVPEYDLJDPPPN-UHFFFAOYSA-N 435.506 1.324 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1nnc2ccccc2c1=O 16274648 AGPPYELWAGZNIO-UHFFFAOYSA-N 432.440 1.776 0 40 IDAB COc1cccc(-c2nc(SCC(=O)N3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 16837367 HDYLKGQEESGPHS-UHFFFAOYSA-N 441.513 1.417 0 40 IDAB Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(c3ccccc3F)CC2)cc1 19211255 IHMGBYWWBKVXSQ-UHFFFAOYSA-N 430.509 1.874 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3cccs3)[nH]c(=O)c2C1 19592896 LSOPFTKMAKAPDX-QGZVFWFLSA-N 430.530 1.659 0 40 IDAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CN(C(=O)c3ccccn3)CCO2)n1 19694949 FTHFUXQGRXBYQP-LJQANCHMSA-N 432.484 1.917 0 40 IDAB COc1cn(CC(=O)Nc2ccc(F)cc2F)c(CN2CCN(C(C)=O)CC2)cc1=O 22698521 YEHKCGDASQORKR-UHFFFAOYSA-N 434.443 1.438 0 40 IDAB NS(=O)(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 28713155 HZLORASHKAHONJ-UHFFFAOYSA-N 427.490 1.843 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)Nc1ccccc1OC(F)F 29818837 YHUSPGZMGNSRBH-UHFFFAOYSA-N 426.445 1.628 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 30014245 ULSFZBCCDOAWAK-ROUUACIJSA-N 440.500 1.864 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2=O)c(F)c1 32334347 DLAHRLHXJFTRDN-SFHVURJKSA-N 440.523 1.606 0 40 IDAB COc1ccc(N(C[C@H](O)CN[C@H](C)C(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1 35590780 XIJYLMXKGISIIK-CZUORRHYSA-N 442.921 1.968 0 40 IDAB O=C(CN1CCN(C(=O)c2cccs2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 36385134 BNNWPFOWRBYMMS-UHFFFAOYSA-N 430.486 1.625 0 40 IDAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(O)CC3)cc2c1 57594484 YDFSXWZNLRSDCK-PXNSSMCTSA-N 440.504 1.248 0 40 IDAB COC(=O)[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 58142270 ZDXFAOYHKLKZMD-JSGCOSHPSA-N 433.324 1.451 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 58157594 FQTNRZHWSFHANT-UHFFFAOYSA-N 446.529 1.133 0 40 IDAB C[C@@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O 58264798 PECSNNBNNYILSQ-QFIPXVFZSA-N 433.424 1.618 0 40 IDAB Cc1n[nH]c(=O)c2c(NC(=O)CN3CCC(C(=O)NCC(F)(F)F)CC3)oc(C)c12 58440095 JLESOAJGLLWGQJ-UHFFFAOYSA-N 429.399 1.462 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCCC1 65512472 WOFYIPXBAQBZOD-QAPCUYQASA-N 440.566 1.568 0 40 IDAB CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@H](c3ccccc3Cl)NC(=O)N2)CC1 67285830 PKEDQMPWVILJSS-KRWDZBQOSA-N 436.896 1.895 0 40 IDAB CCn1cc(C(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c(=O)c2ccc(C)nc21 77148724 GVUXUQYAABFGCD-UHFFFAOYSA-N 436.516 1.975 0 40 IDAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)s1 95457532 DAPVLEQZKSIOQN-HNNXBMFYSA-N 427.592 1.885 0 40 IDAB COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 95472014 MBVPIUBMWHITCI-UHFFFAOYSA-N 431.558 1.912 0 40 IDAB COc1ccc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)s2)cc1 223150841 QTBDPPFAMVYYQA-ZDUSSCGKSA-N 425.536 1.671 0 40 IDAB COc1cccc(OCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 224190130 QOMVPLSGJICUJI-UHFFFAOYSA-N 425.482 1.642 0 40 IDAB COc1ccccc1/C=C/C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224430476 FGZWDHPVAFSTNS-IZZDOVSWSA-N 446.525 1.925 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)s1 225286925 RJCYYTPBIULJGV-UHFFFAOYSA-N 444.560 1.825 0 40 IDAB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)Cn3nnc4ccccc4c3=O)cc21 500308384 OCGJOFIIOQJACT-UHFFFAOYSA-N 447.499 1.611 0 40 IDAB Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O 575426627 XDVBLTVYONOURX-IRXDYDNUSA-N 429.947 1.997 0 40 IDAB CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1=O 643556443 MIRRYGZBNMWUCN-XMMPIXPASA-N 445.560 1.180 0 40 IDAB CCc1ccc(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NCCOC)n4CC3)C2)cn1 1565555945 JYMNKQLCRFZNEG-JOCHJYFZSA-N 426.521 1.481 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888899298 MMSQWDUCRLHDRB-OAHLLOKOSA-N 425.464 1.900 0 40 IDAB COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NS(=O)(=O)Cc4ccccc4)CO[C@H]23)cc1 4235635 UAUMZYRPGNKVMV-MTQWCTHYSA-N 448.497 1.898 0 40 IDAB biogenic,in-vitro CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4403054 XVGNADCCCZEHRJ-QSUVIHHLSA-N 438.429 1.457 0 40 IDAB CCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nc2c1c(=O)n(C)c(=O)n2C 6530513 HWMWDZAOQLKNEI-UHFFFAOYSA-N 434.547 1.520 0 40 IDAB COc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 9710643 PYOKARNMKRKSPX-UHFFFAOYSA-N 425.532 1.777 0 40 IDAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccncc1 9715260 GFIQHCKVMMWLLH-GOSISDBHSA-N 430.530 1.448 0 40 IDAB COCCn1cnc2c1c(=O)n(CCOc1ccccc1C(C)=O)c(=O)n2CC(C)C 10580690 KTVGAYSDAYTITP-UHFFFAOYSA-N 428.489 1.944 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030239 CNGLGZASGFTKSB-INIZCTEOSA-N 437.495 1.306 0 40 IDAB Cn1ncc(Cl)c1[C@@H]1CCCCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 12159833 CXOMTFZAKHJBGB-HNNXBMFYSA-N 437.909 1.909 0 40 IDAB NC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c(F)c1 12185736 KLCKCMRJXFPBHB-UHFFFAOYSA-N 425.416 1.991 0 40 IDAB COC(=O)c1cccc(NS(=O)(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 12236019 JITZLHNSESQDHR-HNNXBMFYSA-N 427.504 1.447 0 40 IDAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)O1 12779017 SXFKDXCDPNNWBN-GJZGRUSLSA-N 428.489 1.739 0 40 IDAB O=C(Nc1cc(Cl)ccc1-n1cncn1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12813603 DHLKEIPMZYXHTA-GFCCVEGCSA-N 436.881 1.025 0 40 IDAB Cc1ccc(-c2noc(COC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cc1 12972472 VRJXIOSJAALQJZ-AWEZNQCLSA-N 432.458 1.254 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)ccc1Cl 13003661 UFOONCVCCVPZKZ-UHFFFAOYSA-N 426.907 1.818 0 40 IDAB Cn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1C1CC1 13113175 CPKYEEROUQBAQA-UHFFFAOYSA-N 437.547 1.444 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N1CCN(C(=O)c2ccco2)CC1 13114269 BRKUMIRINDJMKF-NRFANRHFSA-N 442.497 1.409 0 40 IDAB CCOC(=O)N1CCN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 13132622 AGIHWURHXLZWOW-UHFFFAOYSA-N 442.501 1.502 0 40 IDAB C[C@@H](Oc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1)C(=O)NC1CCCCC1 13566672 JGSYPNVVZMGUTL-OAHLLOKOSA-N 437.562 1.789 0 40 IDAB O=C(c1ccno1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699883 VXZFVVCABZMAMB-SFHVURJKSA-N 437.500 1.866 0 40 IDAB Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C)CC3)c(=O)[nH]c2cc1C 19940814 QHXACNILJWOAPW-WIYYLYMNSA-N 437.548 1.647 0 40 IDAB CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ccccc2O1 29767498 ZAPVUNRFJNCLRJ-VLIAUNLRSA-N 437.452 1.351 0 40 IDAB CCOC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3cc(NC(=O)CCC(=O)O)ccc23)CC1 31819281 AYFGJSPDGPZFDG-IBGZPJMESA-N 446.460 1.871 0 40 IDAB CC[C@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 35326193 SMAIETFYDOXFJV-QGZVFWFLSA-N 431.928 1.367 0 40 IDAB NC(=O)[C@@H]1CCCN1[C@@H](C(=O)O)c1cn(CCC(=O)O)c2cc(Br)ccc12 36366429 ZFWVMYZFVLIIIX-XJKSGUPXSA-N 438.278 1.954 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)C3CC3)n2Cc2ccccc2Cl)n(C)c1=O 57681221 GETJBRIWRYGYDB-UHFFFAOYSA-N 430.896 1.074 0 40 IDAB COCCCNC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc21 71772585 CHUITELVRCJXBO-OAHLLOKOSA-N 436.534 1.112 0 40 IDAB CCN(CC)C(=O)CCCNC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 95465629 XLSFTDMJDGPTJB-HSZRJFAPSA-N 426.517 1.893 0 40 IDAB Cc1cccc(CN2CCn3c(nn(CC(=O)N[C@@H]4CCc5ccccc54)c3=O)C2=O)c1 98213160 JYTSZBVCSYDQDP-HXUWFJFHSA-N 431.496 1.813 0 40 IDAB Cc1ccc(-c2noc(CNC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)n2)cc1 219270297 UWEQGUKAMXICCN-QGZVFWFLSA-N 428.470 1.888 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 224812528 QZZMAMQEIKQQQO-UHFFFAOYSA-N 427.523 1.179 0 40 IDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 225769092 FAPJLWGAGCABTC-IDTSFGKNSA-N 430.935 1.757 0 40 IDAB CN([C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1)S(C)(=O)=O 260885915 ATAOFTQTJTUMFF-NRFANRHFSA-N 431.558 1.768 0 40 IDAB O=C(c1ccoc1)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@@H]2C1 306144490 ZGMOFTDRBPVEQQ-SJORKVTESA-N 426.454 1.546 0 40 IDAB CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)NC(C)C 408700815 MKLLJYPNFUJTTI-UHFFFAOYSA-N 441.531 1.672 0 40 IDAB C[C@@]1(c2ccccc2)CN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCO1 531589779 IYNNZAIWHISWAT-DEOSSOPVSA-N 436.512 1.716 0 40 IDAB O=C(c1cccc(F)c1)N1CCC2(CC1)CCn1c2nn(Cc2cccnc2)c(=O)c1=O 585106515 HMMAPRTYIAPUGQ-UHFFFAOYSA-N 435.459 1.565 0 40 IDAB NS(=O)(=O)c1ccc(CCN[C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1 2225605 PUXVRBIUEHTUJP-MRXNPFEDSA-N 441.431 1.817 0 40 IDAB CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O 8224290 AESVHDJZQFVULG-UHFFFAOYSA-N 429.521 1.403 0 40 IDAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)c1 9000949 HNDMEDCGOWUOTI-UHFFFAOYSA-N 429.436 1.843 0 40 IDAB CCOCCn1c(=O)c2c(nc3n2CCN3c2ccc(Br)cc2)n(C)c1=O 9406707 NESPJKBOVACKMI-UHFFFAOYSA-N 434.294 1.847 0 40 IDAB COc1ccc(CN(C(=O)c2nn(C)c(=O)c3ccccc23)[C@@H]2CCS(=O)(=O)C2)cc1 9666739 GHFVUSIVVWNLKN-MRXNPFEDSA-N 441.509 1.772 0 40 IDAB COCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CCCc1ccccc1)c(=O)n2C 12231870 MGZGLPFLTZNIGB-UHFFFAOYSA-N 436.516 1.978 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1 12599379 DIHZMJBPMLNAQF-UHFFFAOYSA-N 431.514 1.971 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)CCN1 12892058 SYTYOHWHJSVRNB-UHFFFAOYSA-N 441.431 1.756 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c(=O)[nH]c1=O 12896829 AGIFEZZZUXAOSV-ZUOKHONESA-N 437.566 1.362 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 13130564 PIUVWOBEZVAVEV-UHFFFAOYSA-N 433.486 1.722 0 40 IDAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)CC1 13847163 ULTJQRAIDBTVSQ-UHFFFAOYSA-N 439.578 1.325 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)c(OCC)c1 13847798 FTUUYWWLYBYVNL-UHFFFAOYSA-N 432.506 1.433 0 40 IDAB CCCCN1C(=O)NC(=O)[C@@]2(Cc3c(nc4ccccn4c3=O)N3CCCCC[C@@H]32)C1=O 17016894 IUABTZSJJDEPRP-MWTRTKDXSA-N 437.500 1.865 0 40 IDAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccnn4C)CC3)n2)CC1 19497076 GPGPYNUEURIKDK-UHFFFAOYSA-N 446.577 1.870 0 40 IDAB CCOC(=O)N1CCN(C(=O)COC(=O)COc2ccc(F)cc2Br)CC1 21152923 JLPQBTJQHHQHPU-UHFFFAOYSA-N 447.257 1.811 0 40 IDAB COc1ccccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O 22362774 JUCISCWXVZBPMG-CQSZACIVSA-N 440.543 1.742 0 40 IDAB CCOC(=O)N1CCN([C@H](c2ccccn2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697837 MUBYZFJTTKQAGW-HXUWFJFHSA-N 430.505 1.767 0 40 IDAB CNC(=O)CN1CCN(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1 22786943 RAZZENWOXYABQX-UHFFFAOYSA-N 444.557 1.416 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1 23702491 DMDUOABJRNCADA-UHFFFAOYSA-N 435.546 1.668 0 40 IDAB Cc1cc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)no1 24601908 ODNCDDHRDBEUDI-UHFFFAOYSA-N 438.575 1.790 0 40 IDAB COc1ccc(CNC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 36385506 VSGVAFJCJWKKAW-INIZCTEOSA-N 435.521 1.846 0 40 IDAB CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cccs2)S(=O)(=O)c2ccc(C)cc2)CC1 36625395 KYOSOPXHJQVCOX-IBGZPJMESA-N 449.554 1.277 0 40 IDAB C[C@@H]1CN(c2ccc(CNC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cn2)C[C@@H](C)O1 40106841 JSAPIFMNGRSVCF-IAGOWNOFSA-N 443.548 1.956 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 56903880 ZXNMOCXJFADJJQ-UHFFFAOYSA-N 435.575 1.525 0 40 IDAB COc1cc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)ccc1OCC(N)=O 57742343 BXMJQHAWZVVTCP-CYBMUJFWSA-N 440.547 1.194 0 40 IDAB CC(C)(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(N)=O 72307933 AHXIAYLVZMFDOH-LJQANCHMSA-N 435.590 1.982 0 40 IDAB C[C@@H](C(=O)NCCCN1CCOCC1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327618 OVXSFRDJNVSIEU-MHECFPHRSA-N 443.544 1.630 0 40 IDAB NC1=C2C(=O)Oc3ccccc3[C@H]2[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2S1 79492110 DICCXHOPHCSSGA-BQFCYCMXSA-N 436.445 1.936 0 40 IDAB COc1cccc(N2C(=O)[C@H]3C=C[C@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C[C@H]3C2=O)c1 100930652 XQNXNMMTUFNFLS-YSIASYRMSA-N 446.463 1.702 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 101499725 GEUADDACMQBGLF-XHSDSOJGSA-N 444.575 1.083 0 40 IDAB CS(=O)(=O)c1ccc(OC[C@]2(CNC(=O)COc3ccccc3)C[C@H](O)[C@H](O)C2)cc1 107283786 VWDZPUUQKAPERR-XVAYZXCPSA-N 449.525 1.166 0 40 IDAB biogenic,in-vitro COCCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCc3ccccc3C2)n1 225898034 YMMGHTHGMVHEMC-UHFFFAOYSA-N 428.562 1.809 0 40 IDAB Nc1ncnc2c1ncn2[C@@H]1CN(C(=O)CCCc2nc3cc(Cl)ccc3[nH]2)C[C@H]1O 257225287 FFPBDCZAYOHKNV-HUUCEWRRSA-N 440.895 1.705 0 40 IDAB CCOc1cc(CN2CCC[C@]3(CC2)Cc2c(O)nc(O)nc2O3)ccc1OCC(N)=O 257283173 OXAOLSQCUVQEOD-QFIPXVFZSA-N 444.488 1.510 0 40 IDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC[C@]3(O)C[C@H]4CC[C@H]3C4)cc2)CC1 560704416 ZIJTUIPTOJSKME-JLMWRMLUSA-N 449.573 1.210 0 40 IDAB Cc1ccc(S(=O)(=O)N(CCCCCC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)c(C)c1 575422952 DRUXLMLRGYZCBK-HZPDHXFCSA-N 433.548 1.097 0 40 IDAB CO[C@H]1O[C@@H](OC)[C@H](O)[C@@]1(O)CC[C@]1(C)[C@H](C)CC[C@]23COC(=O)C2=C[C@H](O)C[C@@H]31 1549184315 RNTHUVMZQFSSFH-UYJVANJFSA-N 426.506 1.120 0 40 IDAB CCOc1ccccc1S(=O)(=O)N1C[C@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888932231 AOWUXCKKTFWFIH-HUUCEWRRSA-N 428.518 1.519 0 40 IDAB CC[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C)c(I)c1 938261 FXRQCEAQFSGGTA-GFCCVEGCSA-N 431.299 1.825 0 40 IDAB CN1C(=O)N(C)C(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4[C@H]32)C1=O 2434378 SUNHHZBPRHZEJC-SFHVURJKSA-N 443.463 1.391 0 40 IDAB Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)sc3nc12 2722926 FPYIXMMAMSITNV-UHFFFAOYSA-N 442.522 1.838 0 40 IDAB COC(=O)c1cc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc(C(=O)OC)c1 3318304 HWPQHUGAZUWEEN-UHFFFAOYSA-N 431.445 1.843 0 40 IDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8861559 DZLIFKQHPGMAKV-CQSZACIVSA-N 434.452 1.706 0 40 IDAB COc1ccc(NC(=O)CSc2nnc(C)s2)cc1S(=O)(=O)N1CCOCC1 9127350 OADAGGUMRXVIEX-UHFFFAOYSA-N 444.560 1.607 0 40 IDAB O=C(Nc1ccnn1Cc1ccccn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9368215 SIMFSSLLQYNXRU-UHFFFAOYSA-N 427.486 1.600 0 40 IDAB CCOC(=O)/C=C1\SCC(=O)N1CCSc1n[nH]c(=O)n1CCc1ccccc1 9387627 ZZCGNCLKTWYUPX-VBKFSLOCSA-N 434.543 1.886 0 40 IDAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccncc1 9883613 KJUZTPLRZCDZPS-UHFFFAOYSA-N 439.493 1.925 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCC(n3nnc(-c4ccc(F)cc4)n3)CC2)CC1 12143215 BYKUHHZDPDGBGB-UHFFFAOYSA-N 436.513 1.314 0 40 IDAB Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC3CCC(C(=O)O)CC3)ccc12 12296497 MOMBTNLTSZMDFH-UHFFFAOYSA-N 430.457 1.604 0 40 IDAB biogenic O=C(COc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 12422808 URXFAHTWBFMWEP-UHFFFAOYSA-N 435.521 1.468 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)c(C)c1 13147936 QYNWXPMKDJTHPR-UHFFFAOYSA-N 429.498 1.744 0 40 IDAB Cc1ccc(-n2nnnc2SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)c1 15089456 IFYGSNXEEYDQFJ-UHFFFAOYSA-N 443.533 1.903 0 40 IDAB CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCO)ccc3OCC)nc12 15985169 UVAJBRFMOFTOJG-UHFFFAOYSA-N 449.533 1.288 0 40 IDAB O=C(CSc1nnnn1Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 16447385 KCKIKORRVAYRMN-UHFFFAOYSA-N 426.458 1.933 0 40 IDAB COc1ccc(/C=C/C(=O)NCCN2CCn3cc(OC)c(=O)cc3C2=O)cc1OC 16850503 IFXGKTSRGFCYNY-FNORWQNLSA-N 427.457 1.160 0 40 IDAB Cc1ccc(C(=O)N(C)C[C@@H]2CCN(C)C2)c(N2CCN(C(=O)c3ccco3)CC2)n1 19134513 VXBUDYGYUHYHQX-GOSISDBHSA-N 425.533 1.969 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3cccc(F)c3)C1)C2=O 19699617 RMBNHTHYLXDJMF-KRWDZBQOSA-N 430.480 1.753 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3ccccn3)CC1)C2=O 19700721 QSBFKPBTFBQPQE-UHFFFAOYSA-N 427.549 1.659 0 40 IDAB CCC(=O)N1CCN(CCNc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)CC1 20357479 OGEYFTCJABMTGJ-UHFFFAOYSA-N 441.532 1.450 0 40 IDAB biogenic C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@@H](C)O1 20548243 BJTOWIKGLXDSPI-VXGBXAGGSA-N 435.887 1.873 0 40 IDAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N4CCN(CCO)CC4)ccc23)cc1 20622015 WTVXWAZJYAZIJG-UHFFFAOYSA-N 438.480 1.984 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc1C 21604202 PTECKZRNEFZCFY-UXLLHSPISA-N 426.535 1.274 0 40 IDAB CCNC(=O)[C@@H](C)Nc1nc(CN2CCOCC2)nc2sc(C(=O)OCC)c(C)c12 23873225 KKFJRVNSVFUUGH-CYBMUJFWSA-N 435.550 1.945 0 40 IDAB COc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)N3CCOCC3)co2)CC1 56949787 NRYZZJPYHMXIFV-UHFFFAOYSA-N 443.500 1.208 0 40 IDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cccc(Cn2cccnc2=O)c1 58283352 YPMRHSAZOPEQJH-IBGZPJMESA-N 426.521 1.356 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@H]1c1ccccc1OCC 67286843 LCFKEYUUBHSKHT-FQEVSTJZSA-N 430.505 1.421 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)Nc2nnc(SCC(=O)NC3CCCC3)s2)CC1 70634911 OPFZYVAWGKDROS-UHFFFAOYSA-N 447.608 1.299 0 40 IDAB CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cccnc4)CC3)n2)CC1 72335881 NBICKLSADJUCQT-UHFFFAOYSA-N 444.561 1.047 0 40 IDAB CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cnc(N(C)C)nc4)C[C@H]32)c(OCC)n1 72392649 LJPIXWPHQBMWNV-AQOAWAETSA-N 428.537 1.860 0 40 IDAB COC(=O)C[C@H](c1ccc(OC)c(OC)c1C(=O)O)c1c(O)nc2ccccn2c1=O 96114469 DTMNBSBYHJPYDX-GFCCVEGCSA-N 428.397 1.811 0 40 IDAB biogenic Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)cc1F 98213092 BMXAXSRRLPXVEA-UHFFFAOYSA-N 427.411 1.926 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)CC1 219973836 XFBJYCXBMSPJJH-UHFFFAOYSA-N 446.548 1.724 0 40 IDAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCN1CCOCC1 408587739 CAYYXOKAMOEKKS-UHFFFAOYSA-N 447.557 1.035 0 40 IDAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C)cc3)C2)cc1 408650850 CDROLYIIWWGCMP-INIZCTEOSA-N 425.441 1.679 0 40 IDAB COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3cnc(O)n(C)c3=O)c2C)c1 501158782 FSZBXARYKQPJFE-GOSISDBHSA-N 439.472 1.511 0 40 IDAB CC(=O)N1CCN([C@H]2CN(Cc3cccc(OCCN4CCCCC4)c3)C[C@@H]2O)CC1 585271488 FTYWIZYRNYXFHX-ZEQRLZLVSA-N 430.593 1.261 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 585287786 ROQHHAMOWZEZJT-NRFANRHFSA-N 426.485 1.251 0 40 IDAB CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)O)CCC(=O)NC2(CCCC2)C(=O)N1 643579402 WXKNSOIQWDZRRK-DLBZAZTESA-N 445.516 1.612 0 40 IDAB CN1C(=O)N(C)C(=O)C2(Cc3cc(N)ccc3N3CCN(c4ccccc4F)C[C@H]32)C1=O 4038167 HDCQCUNQDDNREQ-IBGZPJMESA-N 437.475 1.696 0 40 IDAB COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(CC(=O)Nc2cccc(C)c2)c1=O 8592129 JHHFZURMCKMMLQ-UHFFFAOYSA-N 445.435 1.676 0 40 IDAB C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 8747758 XMSWFQJQCXZWKQ-IBGZPJMESA-N 445.273 1.954 0 40 IDAB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCCO 8856017 IGNDYCMABNKDQK-UHFFFAOYSA-N 427.320 1.749 0 40 IDAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 9095554 CEQJLJJHNXNPKA-CQSZACIVSA-N 447.513 1.994 0 40 IDAB CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 9138666 KABVLXVZTSDFCD-HNNXBMFYSA-N 441.575 1.679 0 40 IDAB C[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O 9159069 ITTCLBHTTYJURL-YJBOKZPZSA-N 447.532 1.950 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccco1 9418413 MIEAOWDLYIVPHW-MOPGFXCFSA-N 426.473 1.817 0 40 IDAB O=C(OCn1nnc2ccccc2c1=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 9958696 FLRKGJXEZVWTFM-GOSISDBHSA-N 428.470 1.536 0 40 IDAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12588275 OVQLGYKTJSJDBL-UHFFFAOYSA-N 431.558 1.758 0 40 IDAB Cc1cc(Cl)c2c(c1)[C@@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 16010078 PSLFARPWFHKJMQ-DYXJYMTDSA-N 444.919 1.577 0 40 IDAB COCCN1C[C@@H](c2cc(N(C)C)nc(C3CCN(C(=O)C(C)(C)OC)CC3)n2)CC1=O 19697465 KYKBESPGFZILDL-KRWDZBQOSA-N 447.580 1.636 0 40 IDAB Cc1noc(CCC(=O)N2CCC(c3ccc(C(=O)N4CCN(C)CC4)cn3)CC2)n1 19708425 RPUAAEVBFSSBLF-UHFFFAOYSA-N 426.521 1.499 0 40 IDAB COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3CCNC(=O)C3)CC2)c1 19747116 SZNBXUDRWJAJNA-OAQYLSRUSA-N 442.560 1.360 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCO2 22514635 RDQDSUYGAUMPIU-UHFFFAOYSA-N 445.497 1.989 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCN1CCN(C)CC1 22829928 IWTXPHXPOAKVGL-UHFFFAOYSA-N 436.622 1.927 0 40 IDAB CC[C@H](C)NC(=O)CN1CCN(CN2C(=O)C(=O)c3c(Br)cccc32)CC1 22916838 AURRUKXEQPHDFF-ZDUSSCGKSA-N 437.338 1.468 0 40 IDAB Cc1nc2cc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)ccc2n1-c1ccccc1 25738933 WGLLVLQVVYCFBA-UHFFFAOYSA-N 427.530 1.898 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc1N 26249948 MQUGMFDQIVQDQP-UHFFFAOYSA-N 442.501 1.764 0 40 IDAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCc1ccc(-n2cccn2)cc1 27186533 YMLIXVSLMVWGGM-UHFFFAOYSA-N 427.530 1.968 0 40 IDAB Cc1cc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2)n2ncnc2n1 30690122 KYXIOUNSNPTVIC-UHFFFAOYSA-N 437.323 1.706 0 40 IDAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)C1 30861805 FMUMBLCYBFHAJI-KDURUIRLSA-N 437.606 1.946 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H](c2nnc3n2CCC3)C1 32921804 ZNSUOFQLMDEUEN-KRWDZBQOSA-N 445.545 1.265 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3noc4ccccc34)CC2)o1 40106622 DMVXJSVHXUTAHA-UHFFFAOYSA-N 447.469 1.673 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CCCc3nnnn3-c3ccccc3)CC2)cc1 40153406 LMAFKFTURGWQOF-UHFFFAOYSA-N 442.545 1.610 0 40 IDAB Cc1nn(C)c(=O)c(C(=O)N2CSC[C@@H]2C(=O)NCCSCc2ccccc2)c1C 72296580 CYWXVBLPUUYIKE-QGZVFWFLSA-N 446.598 1.962 0 40 IDAB CCOC(=O)N(C)c1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 79073137 XYWGPSQQIKKPIL-UHFFFAOYSA-N 433.509 1.288 0 40 IDAB CC(C)CN1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)C1 79107560 OBTVIZCURQWYLI-HNNXBMFYSA-N 437.591 1.502 0 40 IDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC3CC(C)(C)NC(C)(C)C3)C2=O)cc1 96232663 QGWBGKKALNBJSA-SFHVURJKSA-N 430.549 1.974 0 40 IDAB COc1cc(CCC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OC)c1OC 107076578 OMFGARPHFLICCE-IQGAEYHTSA-N 428.485 1.568 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCCOc1ccc(OC)cc1)c1ccc2c(c1)OCO2 224160774 ZVFKOAVVQUQUME-UHFFFAOYSA-N 436.486 1.775 0 40 IDAB S=C(NCCN1CCOCC1)Nc1nc(Oc2ccccc2)cc(N2CCOCC2)n1 225903946 JJJAWBQBZNWGAW-UHFFFAOYSA-N 444.561 1.724 0 40 IDAB COc1cc(CN2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCO 257290675 QDWSPZDRRIOMKL-VWLOTQADSA-N 441.572 1.825 0 40 IDAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1 408622085 MKHSYTHODMSIAV-UHFFFAOYSA-N 441.531 1.348 0 40 IDAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 575609110 RXMHDXWSZWAEDG-GOSISDBHSA-N 442.603 1.179 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)NCCN1C(=O)CSC1=O 2627296 JTDFOVLFSCQFDT-CMDGGOBGSA-N 442.497 1.857 0 40 IDAB Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 2801193 LQHRASVRSMVVPA-UHFFFAOYSA-N 445.526 1.501 0 40 IDAB CCCCN1C(=O)c2ccc(C(=O)Nc3c(N)n(CCCC)c(=O)n(C)c3=O)cc2C1=O 4195244 BYVBDKVTWRREPS-UHFFFAOYSA-N 441.488 1.578 0 40 IDAB Cn1c(=O)c2c(nc(N3CCC(C(N)=O)CC3)n2Cc2cccc3ccccc23)n(C)c1=O 8642848 DJQUQBPXMUUKJF-UHFFFAOYSA-N 446.511 1.337 0 40 IDAB Cc1cccc2c1NC(=O)[C@]21N[C@@H](CCC(=O)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 8790764 HRLBJLBAUIJCAE-UJAPCULTSA-N 447.491 1.823 0 40 IDAB biogenic CCCCn1c(=O)n(CC(=O)Nc2cc(C)on2)c(=O)c2c1ncn2Cc1ccco1 8862507 RUIRDCJIBUBPGU-UHFFFAOYSA-N 426.433 1.736 0 40 IDAB Cn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c2ccccc2c1=O 8966239 AUASTCFMKUQDKV-UHFFFAOYSA-N 449.511 1.859 0 40 IDAB O=C(COc1cccc(N2CCCC2=O)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9605450 WUVRBFPINAANDP-UHFFFAOYSA-N 443.525 1.725 0 40 IDAB CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 12029844 MQQFXCIQIADXBJ-GOSISDBHSA-N 436.511 1.858 0 40 IDAB COC(=O)[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12751992 JAQWUKMSRDGSES-MRXNPFEDSA-N 438.502 1.023 0 40 IDAB CCOc1ccc(/C=C/C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 12795931 WBAJZPWSODYHOS-KPKJPENVSA-N 432.498 1.648 0 40 IDAB COCCCN(C(=O)/C=C/c1ccc2c(c1)OCO2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13128076 BYAXPKXZZQHKEW-SOFGYWHQSA-N 444.488 1.586 0 40 IDAB Cc1ccc(OC[C@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 14000240 MRCPGNNGRZIBHC-WMLDXEAASA-N 441.532 1.716 0 40 IDAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1S(=O)(=O)N(C)C 18287722 JCZMXMXVVYTJSQ-UHFFFAOYSA-N 430.490 1.546 0 40 IDAB Nc1nc(C2CCN(C(=O)COC[C@@H]3CCCCO3)CC2)ccc1C(=O)N1CCOCC1 19765987 JUMHJAUKOQSMNL-SFHVURJKSA-N 446.548 1.428 0 40 IDAB Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C)CC3)c(=O)[nH]c2cc1C 19940815 QHXACNILJWOAPW-NQIIRXRSSA-N 437.548 1.647 0 40 IDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=O)CSCc1ccccc1 24843625 CGWVJPARNYXTRL-UHFFFAOYSA-N 437.543 1.236 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 25748829 RQLMFRGGZQMRQF-UHFFFAOYSA-N 438.575 1.623 0 40 IDAB CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 27914579 LMTQBHJGVQHDMA-UHFFFAOYSA-N 433.486 1.644 0 40 IDAB CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 32850820 JGYIHUOTRYEDKM-MOPGFXCFSA-N 436.555 1.572 0 40 IDAB CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)CC1 35325848 PGNFEKRCBSDSLK-UHFFFAOYSA-N 442.589 1.906 0 40 IDAB O=C(NCc1ccncc1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36360380 LXUMICWXQOJXMB-KRWDZBQOSA-N 428.514 1.535 0 40 IDAB COc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)cc1Cl 65213779 JFMVIKFGAVZJLJ-UHFFFAOYSA-N 425.894 1.934 0 40 IDAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 67287122 MQJMTSXZWRUCAY-LJQANCHMSA-N 446.504 1.640 0 40 IDAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCc1ccc(N2CCOCC2)nc1 72276883 GVJNBWSBMRKVLI-JOCHJYFZSA-N 449.511 1.010 0 40 IDAB Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N[C@H]4CC(=O)N(C(C)C)C4=O)cc3)nc12 79111277 VPQPPPXVRCITPD-KRWDZBQOSA-N 433.468 1.900 0 40 IDAB C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C[C@@H](C(=O)O)O1 95991966 QCJBQRFKXYAYRP-KUHUBIRLSA-N 436.530 1.277 0 40 IDAB CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)c4cccnc4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143740 CIYXSUQAURSTTD-LAUBAEHRSA-N 434.562 1.064 0 40 IDAB NS(=O)(=O)CCN1CCC(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 97101393 UBFXVWLFHFRTLB-IBGZPJMESA-N 436.965 1.941 0 40 IDAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)c1 100188111 UFHDQKZEMIEXQO-GEYWLOKFSA-N 443.408 1.129 0 40 IDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(F)c(F)c3)C(=O)[C@H]21)Nc1ccc2c(c1)OCO2 101169296 GOEJWZSECZPHNV-SJORKVTESA-N 429.339 1.625 0 40 IDAB CN(C(=O)Cn1c2c(c3cc(F)ccc31)CCCC2)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257227281 FOMPOUYZJXIRSN-PQNGQFLHSA-N 442.535 1.441 0 40 IDAB CN1CCN([C@H]2CC[C@](CNC(=O)c3ccn(C)n3)(c3ccccc3)CC[C@@H]2O)CC1 257286560 PMADNPJLBPNIOO-FIXSFTCYSA-N 425.577 1.639 0 40 IDAB Cc1ncc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cn1 257316147 VEIGHVDPMRCSKA-UGKGYDQZSA-N 437.544 1.859 0 40 IDAB CCn1c(C)nc2cc(C(=O)N3CC[C@H](O)[C@@H](N4CCN(C(C)=O)CC4)CC3)ccc21 257335520 YKNHFFFQHDSCPA-VXKWHMMOSA-N 427.549 1.494 0 40 IDAB O=C(c1cnccn1)N1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 306124089 BFYXZKWZUTZNAL-QZTJIDSGSA-N 437.481 1.348 0 40 IDAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)cc2)cc1 408614853 IWUAOKOOIJMUKS-DLBZAZTESA-N 425.485 1.862 0 40 IDAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCN1CCOCC1 524729208 IYLKNNPSHUHDLT-JOCHJYFZSA-N 434.496 1.640 0 40 IDAB biogenic NC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCCCCC2)CC1 1712892979 FZRBXXKYODJKLC-SFHVURJKSA-N 432.569 1.667 0 40 IDAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCCn1nc(C(F)(F)F)ccc1=O 1888856719 FZVFPKGMAMLBCI-JTQLQIEISA-N 441.435 1.161 0 40 IDAB CCS(=O)(=O)N1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)CC1 2728378 DTKCKYURLSRUIP-UHFFFAOYSA-N 441.351 1.801 0 40 IDAB O=C(C(=O)N1CCC2(CC1)OCCO2)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007669 SRBZGSIOUTWQMC-UHFFFAOYSA-N 441.484 1.048 0 40 IDAB COC(=O)[C@]1(C)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 4399675 VFOVZBMOVLHSID-KEXUJGGDSA-N 438.436 1.545 0 40 IDAB CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccc(N(C)C)cc2)[C@@H](O)[C@H]1O 8627116 OGESAYROAQDTJY-PABCKOPISA-N 441.528 1.020 0 40 IDAB biogenic,in-vitro COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1OC 8707212 DBWOAKIRRPQFJG-NRFANRHFSA-N 426.429 1.208 0 40 IDAB CC(=O)N[C@H]1[C@H](Oc2ccc(C)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 8834019 QHNUAZWNAPSBQV-PFAUGDHASA-N 437.445 1.030 0 40 IDAB biogenic O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 9548795 CRUPBSVEIZVKDF-UHFFFAOYSA-N 430.530 1.964 0 40 IDAB COc1cccc(-c2nnn(CC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)n2)c1 9723283 UOVYFOOLHSRSIH-KRWDZBQOSA-N 433.534 1.697 0 40 IDAB C[C@@H](OC(=O)CCOc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 10623181 LJWRTDVEMUBLKA-GOSISDBHSA-N 446.525 1.920 0 40 IDAB COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)c1 12029857 SJPHKYQZJQFJSR-QGZVFWFLSA-N 437.495 1.686 0 40 IDAB COc1ccccc1CNC(=O)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1 12080714 MMHQXEWFSJQEJJ-SFHVURJKSA-N 431.876 1.580 0 40 IDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1C(=O)c1ccc2c(c1)OCO2 12080751 FTPRGGIIWMVDIM-GOSISDBHSA-N 445.859 1.300 0 40 IDAB O=C1OCC[C@H]1Sc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1 12523610 JSVVLPNPWVJNKP-GOSISDBHSA-N 433.555 1.996 0 40 IDAB Cn1c(=O)c2c(nc(NCCNC(=O)c3ccccc3)n2Cc2ccccc2)n(C)c1=O 12639154 RLSSEHCHPJVPAE-UHFFFAOYSA-N 432.484 1.324 0 40 IDAB O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)Nc1ccc2c(c1)OCO2 13117608 FRTFGNVEVLMZAK-FQEVSTJZSA-N 425.441 1.338 0 40 IDAB O=C(Nc1cccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1)c1cccs1 14021074 KYAZWGNKKRZBCP-KRWDZBQOSA-N 433.555 1.945 0 40 IDAB COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 15513558 DYJCCFKELHDUQR-UHFFFAOYSA-N 434.514 1.697 0 40 IDAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccccn2)c2ccco2)cc1 17043311 VHIAZDGHDWUHDX-LJQANCHMSA-N 427.482 1.931 0 40 IDAB NC(=O)c1ccc(-c2ccc([C@H]3CN(CC(=O)NCc4ccccn4)CCO3)nc2)cc1 19692601 KXBPDJNUWMONSF-JOCHJYFZSA-N 431.496 1.932 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3)CC1)C2=O 19699419 HXLXLSYOJKWMPQ-UHFFFAOYSA-N 440.544 1.789 0 40 IDAB CN1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4cnccn4)CCO3)nc3ccccc23)CC1 19762747 PZPKLFWRJQYLFN-JOCHJYFZSA-N 446.511 1.626 0 40 IDAB Cc1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1C 20504080 IQEUUZIYGNKJRG-UHFFFAOYSA-N 436.516 1.396 0 40 IDAB O=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCN(c2ccc3nnnn3n2)CC1 22968201 BARUSBUSZZDNCY-UHFFFAOYSA-N 444.503 1.918 0 40 IDAB O=C(c1cc(=O)c2ccccc2o1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134579 NBFWDNXVHFYTFA-UHFFFAOYSA-N 434.431 1.866 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 28197854 SNGFIGVLYYATNF-UHFFFAOYSA-N 425.551 1.953 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 32780674 JINXFUKNXMPJEC-UWVGGRQHSA-N 429.347 1.306 0 40 IDAB CNC(=O)C1CCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 32858105 TWHVLOOWHDJFLK-UHFFFAOYSA-N 444.557 1.908 0 40 IDAB O=C(c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)N1CCC2(CC1)OCCO2 33325392 MTNHEGKBAGPGNG-AWEZNQCLSA-N 437.543 1.950 0 40 IDAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc3c(=O)n(CC)c(=O)[nH]c3c1)CC2 72295906 YDKGLOYKSAUKLX-UHFFFAOYSA-N 442.497 1.211 0 40 IDAB O=C(CCNS(=O)(=O)c1ccccc1F)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104273 RIFPTKYPDRYORF-UHFFFAOYSA-N 444.481 1.318 0 40 IDAB CCOC(=O)c1sc(NC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)nc1C 96395888 PYPXIANKYRKJBB-UHFFFAOYSA-N 442.505 1.854 0 40 IDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21)Nc1ccc2c(c1)OCCO2 101166613 RZZRTAUGFWTTAH-ROUUACIJSA-N 425.376 1.529 0 40 IDAB CC[C@H](C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OC 102439145 DDEFJHHJRVDANA-BORJPKMPSA-N 426.535 1.802 0 40 IDAB Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)no1 102539710 GIOATLHAKLVXOT-RNEDXHKXSA-N 449.463 1.883 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222860892 CZUJUPSFDSOFRU-KRWDZBQOSA-N 447.557 1.787 0 40 IDAB Cn1cnc(S(=O)(=O)N2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 238930852 VBKJGJCSWJZBJA-UHFFFAOYSA-N 430.452 1.905 0 40 IDAB O=C(CN1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 257316501 VFWYAYPYECOLOA-FPOVZHCZSA-N 437.562 1.416 0 40 IDAB CCOCC(=O)N1CC[C@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306129864 IPDGWCDQWAQPOZ-NRFANRHFSA-N 431.514 1.673 0 40 IDAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1OCC(=O)O 409191716 LJSWDGXNEOHEOW-RUDMXATFSA-N 432.170 1.286 0 40 IDAB COc1cc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc(OC)c1OC 585292001 WNMUZKBGCHTVPI-QPPBQGQZSA-N 444.528 1.369 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC2(C[C@@H](NCc3cccnc3)CS2)C1 2056224844 YUBQGOXKZFMLJN-MRXNPFEDSA-N 433.555 1.891 0 40 IDAB COc1cccc(NC(=O)Cn2ccc(=O)n(CC(=O)Nc3cccc(OC)c3)c2=O)c1 2633203 DWAHVOUQICUKSP-UHFFFAOYSA-N 438.440 1.305 0 40 IDAB Cn1c(=O)c(C(=O)COC(=O)c2ccc(Cl)cc2)c(N)n(Cc2ccccc2)c1=O 2643925 VJNVDSVVTPQPQP-UHFFFAOYSA-N 427.844 1.871 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1c[nH]c2ccccc12 3226420 MGRYXUNKBOYZGM-UHFFFAOYSA-N 443.525 1.927 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)c(C)c1 4988258 XXGHWSSEWFXFHQ-UHFFFAOYSA-N 429.608 1.895 0 40 IDAB Cc1cccc(NC(=O)CSc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 9295614 USPQGMHQEUMWBB-UHFFFAOYSA-N 430.534 1.584 0 40 IDAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)NC(=O)Nc1ccc2c(c1)OCO2 9549991 GNOHGOIGSHEUJZ-UHFFFAOYSA-N 442.428 1.745 0 40 IDAB CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 9599591 RGZFHMDYNVSBKG-HNNXBMFYSA-N 443.481 1.622 0 40 IDAB CCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OCC)c(OC)c1)C1=C(COC1=O)N2 9704864 KVDRUZVFECTRCB-MRXNPFEDSA-N 427.457 1.733 0 40 IDAB Cc1cc(C)n2nc(C(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)nc2n1 9960270 KWVUBSLVQQBKIF-UHFFFAOYSA-N 428.497 1.132 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@@H](c2ccc(C(=O)OC)cc2)n2nnnc2N1 10232311 YOXYZZMNUIAEQX-GOSISDBHSA-N 449.423 1.793 0 40 IDAB CCOCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(Br)cc3)nnc12 10967686 ZKLRJFPRZPPPLP-UHFFFAOYSA-N 433.266 1.537 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)C2=COCCO2)ccc1C 11444864 OVYNHUCFUBVMIB-CQSZACIVSA-N 426.491 1.784 0 40 IDAB NC(=O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1 12052034 ZKMQGWQUOHYFIH-NRFANRHFSA-N 441.553 1.919 0 40 IDAB Cc1cc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)nn1C 12443132 LPPOVXZJOBTNLZ-UHFFFAOYSA-N 448.480 1.957 0 40 IDAB Cc1cccc(N2C(=O)N[C@](NS(=O)(=O)c3ccc(N)cc3)(C(F)(F)F)C2=O)c1 12462782 ALQNJCRWJGXTCV-MRXNPFEDSA-N 428.392 1.871 0 40 IDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)N1C[C@H](C)O[C@@H](C)C1)n2CC(C)C 12507093 IDPZLRRIIZUVFS-HOTGVXAUSA-N 433.553 1.911 0 40 IDAB CC[C@@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccc(OC)cc1)C(=O)O 12531190 BIJVTWLWOMNVAH-CQSZACIVSA-N 432.502 1.640 0 40 IDAB COc1ccc(-c2nc(NC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)sc2C)cc1 12556901 GQEUADWXHGRYQI-UHFFFAOYSA-N 440.485 1.513 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c1 13009324 PUDKKAKAYCGZNO-UHFFFAOYSA-N 444.517 1.499 0 40 IDAB CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccc(F)cc2)cc1 13372063 VKRSCAGZJHSNGS-PMACEKPBSA-N 441.546 1.996 0 40 IDAB O=C(OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1cc(=O)c2ccccc2o1 17527575 OXNGHVBCAQZKHS-OAHLLOKOSA-N 433.482 1.908 0 40 IDAB Cn1nccc1C(=O)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 19289188 PSQZLUWPVOEVON-QGZVFWFLSA-N 426.452 1.193 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)CCn3nccc3C)CC1)C2=O 19700677 WJLLRBOFTOMTCX-UHFFFAOYSA-N 444.580 1.617 0 40 IDAB COc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1OC 26533991 RFVRVAPRXUABPU-WOJGMQOQSA-N 425.441 1.806 0 40 IDAB COc1ccc(OC)c2c1CN(CN1C(=O)C(=O)c3cc4c(cc31)OCCO4)C[C@@H]2O 31783739 IVBPNKFLJMNJKK-HNNXBMFYSA-N 426.425 1.511 0 40 IDAB CCOC(=O)C1=C(CN2C(=O)c3ccccc3S2(=O)=O)NC(=O)N[C@@H]1c1cccs1 32667632 IGNKMLLFRPGHML-MRXNPFEDSA-N 447.494 1.764 0 40 IDAB COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc1 36394181 AYJXOALGGKBDRZ-FQEVSTJZSA-N 435.546 1.653 0 40 IDAB Cc1noc([C@@H](C)NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)n1 58157672 ZUXBEIXKCYOLSL-GFCCVEGCSA-N 449.489 1.338 0 40 IDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)n1 72301577 AFZQCQPMBUTQSC-SCLBCKFNSA-N 425.489 1.183 0 40 IDAB COc1ccc(OCCc2cc([C@H]3CCN(S(=O)(=O)c4cn(C)cn4)C3)n[nH]2)cc1 72371769 LGFXJMHMISIPBC-HNNXBMFYSA-N 431.518 1.952 0 40 IDAB COc1ccc(C(=O)NCCNC(=O)C(C)(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 95398694 LJBSJHNUWMFXCB-UHFFFAOYSA-N 448.564 1.873 0 40 IDAB O=S1(=O)CCN(C2CCN(c3ccccc3S(=O)(=O)C(F)(F)F)CC2)CC1 95946035 WKSHHSHIUIAHEQ-UHFFFAOYSA-N 426.482 1.679 0 40 IDAB O=C1COC(=O)N1C[C@@H](NS(=O)(=O)c1ccc(-n2cccn2)cc1)c1ccccc1 225638961 UQUDCVRLIHDWBE-GOSISDBHSA-N 426.454 1.871 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@H]2[C@H](C(=O)NCc3cccs3)[C@H]3C=C[C@]21O3 245229794 FVPQTNDTWVLOFT-PXHXRNRRSA-N 429.542 1.592 0 40 IDAB CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCCN(C)C)cc3)C2)ncn1 257315023 UZOVGXOESPNXDO-HSZRJFAPSA-N 442.564 1.562 0 40 IDAB Cn1cc(C(=O)N2CC[C@@H](c3ccc4c(=O)n(C)c(=O)n(Cc5ccccc5)c4n3)C2)cn1 257329422 XJYFVGYDUWOSRG-QGZVFWFLSA-N 444.495 1.507 0 40 IDAB CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(-c2ccccc2)n(C2CCCC2)c1=S 504423799 HJKQNVULGADNMX-ILRSOXBSSA-N 448.545 1.312 0 40 IDAB biogenic Cc1cnc(CNC(=O)[C@H]2C[C@]3(CO2)CN(Cc2c(C)nc4ccccn24)CCO3)nc1 585102211 QHLFDHSBMKOGID-AUSIDOKSSA-N 436.516 1.417 0 40 IDAB Cc1ncn(CC(=O)N2CCC(COc3ncc(Br)cn3)CC2)c(=O)c1C 1776000722 HGAAGNHRRXBQCE-UHFFFAOYSA-N 436.310 1.730 0 40 IDAB CCN(C(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)[C@@H]1CCS(=O)(=O)C1 3376714 GGURNLJGYJSXSQ-BFUOFWGJSA-N 438.527 1.194 0 40 IDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 9120026 LBQKUPYSWJWNMR-INIZCTEOSA-N 433.486 1.865 0 40 IDAB O=C([C@@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2O1)N1CCCCC1 9335718 GBWPECBADIJYJR-SFHVURJKSA-N 440.500 1.658 0 40 IDAB Cc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCCN2S(=O)(=O)c2ccccc2)cc1 9576616 FPMZWMVMJKFDHS-IBGZPJMESA-N 431.514 1.165 0 40 IDAB COc1ccccc1C(=O)NCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 12790134 YEJFGVMGKYZLIX-UHFFFAOYSA-N 438.528 1.825 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)N1CCN(C(=O)C2CC2)CC1 12891961 CDYLWMFAGLFKAX-RGDDUWESSA-N 440.953 1.299 0 40 IDAB COc1ccc(CCNC(=O)[C@@H](C)NC(=O)Cc2nnc(O)c3ccccc23)cc1OC 13549218 KOSVNBKRFJMXPH-CQSZACIVSA-N 438.484 1.759 0 40 IDAB COc1ccc(N(CCCC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1Cl 13681891 FLTNRUYXWIVMRW-UHFFFAOYSA-N 431.942 1.619 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(F)c(F)c3)CC2)cc1 15730000 SXLFSRYOUOPWGO-UHFFFAOYSA-N 439.484 1.710 0 40 IDAB COc1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(CCc4ccccc4)C3=O)NN2)cc1OC 16994421 KQRRCSYMGYYRRN-SBCIHWNMSA-N 436.468 1.818 0 40 IDAB COc1ccccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22229106 UWGJMICJRNPLJJ-UHFFFAOYSA-N 447.513 1.014 0 40 IDAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCOCC2)cc1 23106931 WCTZFFJSRLOQAJ-IBGZPJMESA-N 425.485 1.894 0 40 IDAB O=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCN(C[C@H]2CCCO2)CC1 23817765 YXYUZSIJGSAAMR-LJQANCHMSA-N 433.530 1.695 0 40 IDAB CN(C)C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 27221169 GZZXXRQQZRIGRZ-VSRDTVRMSA-N 431.514 1.851 0 40 IDAB NS(=O)(=O)c1cccc(NC(=O)CCN2CCN(CCOc3ccccc3)CC2)c1 28883752 GXIPLAHINPCUKE-UHFFFAOYSA-N 432.546 1.359 0 40 IDAB Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)N4CCC[C@H]4C(N)=O)CC3)cccc2c1 32899598 OPMBTMVPOKPRJN-KRWDZBQOSA-N 430.530 1.420 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 33905146 OBNBHYQEYRONSE-SRHPJPHMSA-N 438.429 1.457 0 40 IDAB Cc1cccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C(=O)N1CCCC1 58129448 AMHJISQJCSMRSW-HOTGVXAUSA-N 433.530 1.205 0 40 IDAB COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 58142258 ZDXFAOYHKLKZMD-OCCSQVGLSA-N 433.324 1.451 0 40 IDAB CCN1CCC[C@@H]1CNC(=O)C1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 58344818 RNQXEWSQEMWESM-HXUWFJFHSA-N 444.580 1.763 0 40 IDAB CCCN1C(=O)N[C@@H](CCC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)C1=O 72393302 KQLQQEOUOXPPPM-INIZCTEOSA-N 428.489 1.281 0 40 IDAB COc1ccccc1-c1cn2nnc(C(=O)NCc3nc4ccccc4n3C)c2c(=O)[nH]1 90591893 JDRXIXRDJQJIOK-UHFFFAOYSA-N 429.440 1.910 0 40 IDAB O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 95455439 RNKOZMALBVQEOJ-UHFFFAOYSA-N 448.368 1.415 0 40 IDAB Cc1cccc(CN2CCn3c(nn(CC(=O)Nc4ccc(F)c(F)c4)c3=O)C2=O)c1 98213159 BDDXUILENFGFAY-UHFFFAOYSA-N 427.411 1.926 0 40 IDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 101405603 YILUCZSTQJXXCA-IRXDYDNUSA-N 446.529 1.661 0 40 IDAB COc1cccc(N2C(=O)[C@H]3C[C@@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C=C[C@H]3C2=O)c1 221844229 XQNXNMMTUFNFLS-SXLOBPIMSA-N 446.463 1.702 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c1 226040270 KBGSOOVSHQSOAM-UHFFFAOYSA-N 439.559 1.346 0 40 IDAB CC(C)n1ccc(C(=O)N2CCN(C)[C@H](C(=O)Nc3cccc(N4CCCC4=O)c3)C2)n1 257296261 RBZMUWMJPCNUEF-FQEVSTJZSA-N 438.532 1.986 0 40 IDAB Cn1nc([C@H]2CN(CC(=O)N3CCNC3=O)CCO2)cc1CCOc1ccccc1Cl 257297399 RHCOGCKBOJMNED-LJQANCHMSA-N 447.923 1.620 0 40 IDAB CN(C)CCNC(=O)[C@H]1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N21 306132878 LVEIUBZZSWTZHG-UYAOXDASSA-N 443.573 1.301 0 40 IDAB COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(C2)CN(C(=O)c2ccccc2)C3)c1 514288802 FFBGZSZCPTUZSG-FCHUYYIVSA-N 435.524 1.619 0 40 IDAB biogenic,in-vitro CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1 574192899 HTWOAKMIVXRMIY-UHFFFAOYSA-N 436.622 1.817 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)c1 575421332 IXUYTFQZLXOODF-JKSUJKDBSA-N 427.500 1.057 0 40 IDAB CCCS(=O)(=O)N1CC2(CN(C(=O)c3ccc(Cl)cc3)C[C@@H]3COCCN32)C1 604381823 QESWFGNICFSKEK-QGZVFWFLSA-N 427.954 1.291 0 40 IDAB biogenic,in-vitro O=C(C1CC1)N1CC2(C1)OC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)C[C@H]12 1549162648 ULVRRVXWQVZDTI-HNNXBMFYSA-N 425.894 1.156 0 40 IDAB O=S(=O)(N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccco4)n3)CO[C@H]12)c1cccs1 5433932 UNABVPDGYQMHIC-WRFANHODSA-N 434.499 1.723 0 40 IDAB biogenic,in-vitro C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2cccc(Br)c2)C1=O 8705835 DSBNDWAGOQBICG-IBGZPJMESA-N 445.273 1.677 0 40 IDAB CC(=O)N1CCc2cc(S(=O)(=O)NCCn3nc(-c4cccs4)ccc3=O)ccc21 8954964 ULSSOVRLTYUVCZ-UHFFFAOYSA-N 444.538 1.859 0 40 IDAB Cc1nc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2n1 9244614 ZUKQIBKVDOVJJP-UHFFFAOYSA-N 442.497 1.977 0 40 IDAB O=C(COC(=O)c1cccnc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9441745 SXSZFAJCIMOKIK-UHFFFAOYSA-N 439.877 1.551 0 40 IDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 10556495 ISRVYNCFUXGYRY-UHFFFAOYSA-N 448.527 1.799 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)CC2)c(C)c1 12852171 HKTUFPGRROCQCQ-LJQANCHMSA-N 428.510 1.918 0 40 IDAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12869356 AQPRRPAHPFXXMS-CQSZACIVSA-N 430.465 1.841 0 40 IDAB CC(=O)NCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 12880139 KHIIYKCGCVCABY-FQEVSTJZSA-N 426.469 1.874 0 40 IDAB biogenic CCCCN(C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 13074320 HGEWSHZCWFCOKO-UTKZUKDTSA-N 435.546 1.660 0 40 IDAB Cc1ccc(OC[C@@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 13806211 ZKBFZZVOBNMNKK-INIZCTEOSA-N 427.505 1.552 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cn2nnc3ccccc3c2=O)c1 15195653 FRUSXWSIJWCMMG-UHFFFAOYSA-N 429.502 1.769 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1 15940588 BZYVBFKTWPCQDS-UHFFFAOYSA-N 434.470 1.714 0 40 IDAB CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)O 15956508 CIKMDCQKPKFRRX-MPBGBICISA-N 432.473 1.829 0 40 IDAB biogenic COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)Cn2nc(C)nc2C)C1 19703950 UGZRVDKMXWBNGY-OAHLLOKOSA-N 442.545 1.897 0 40 IDAB COc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(C)CC3)c(=O)[nH]c2cc1OC 20084132 DUDZGQRGEZBHCQ-LJQANCHMSA-N 441.536 1.624 0 40 IDAB C[C@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1CCCC1 21327099 OUKIDJPAOUCEOU-ZDUSSCGKSA-N 426.491 1.117 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)o1 40116497 KDECNLTUWXAADK-LJQANCHMSA-N 435.458 1.312 0 40 IDAB Cc1c([C@@H]2C[C@@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)N(C)S(=O)(=O)N2)cnn1C 72335095 OEHPAPNLZMSTCU-ZETIMSEASA-N 435.594 1.641 0 40 IDAB Cn1nccc1C(=O)C1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 72337595 LQRPNDPSKXRHCL-INIZCTEOSA-N 436.559 1.756 0 40 IDAB O=C(C[C@H](CN1CCN(CCN2CCCC2)CC1)C(=O)O)Nc1ccc2c(c1)OCO2 72405683 WEDGTKNWWBGNHE-QGZVFWFLSA-N 432.521 1.158 0 40 IDAB CC(C)c1c(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(=O)n(-c2ccccc2)n1C 78254005 BPFAFVWZKVMWQI-UHFFFAOYSA-N 441.513 1.736 0 40 IDAB O=C(CN1CCC(N[C@H]2CCS(=O)(=O)C2)CC1)NCc1ccccc1OC(F)(F)F 95962960 NHUKGOHGSNAZIM-INIZCTEOSA-N 449.495 1.443 0 40 IDAB O=C(NC1CCCCC1)[C@H]1N(C2CCCC2)C(=O)[C@H]2[C@@H](C(=O)NC3CC3)[C@H]3C=C[C@@]21O3 100432000 TUORRBUWABAHCA-YBZAYSDLSA-N 427.545 1.807 0 40 IDAB O=c1c(CN2CCSCC2)coc(O)c1CN1CCn2c(nnc2C(F)(F)F)C1 101372958 LPCHFXFVGDGTLP-UHFFFAOYSA-N 431.440 1.520 0 40 IDAB C[C@H]1C[C@@H](C)CN(C[C@H](C)NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 107075933 ILLGNPXGINGWKR-XHSDSOJGSA-N 429.608 1.772 0 40 IDAB CCN1CCN(Cc2ccccc2CNC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 107591336 VSWUBHSBZHTILG-UHFFFAOYSA-N 426.565 1.225 0 40 IDAB Cc1c(NC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 225251138 YVBUSFOMMUZDBT-CWLKWCNXSA-N 435.484 1.413 0 40 IDAB aggregator O=C(Cn1cnc2ccccc2c1=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225758688 YOPPZVPXXSWYNA-UHFFFAOYSA-N 431.452 1.263 0 40 IDAB O=C1CNC(=O)C2(CC=CC[C@H]3COCC[C@H]3N1)CCN(Cc1ncccc1F)CC2 2037818700 OUVDYFNUOQMCLI-PKOBYXMFSA-N 430.524 1.790 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 2726004 APYWYJIFEUWSQY-UHFFFAOYSA-N 443.572 1.145 0 40 IDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c1 3360976 QUSTUEMXGWZOQB-UHFFFAOYSA-N 445.925 1.906 0 40 IDAB Cn1c(=O)c2c(nc(CN3CCC(Cc4ccccc4)CC3)n2CCCO)n(C)c1=O 6211266 MROSDJBXPDFINO-UHFFFAOYSA-N 425.533 1.271 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 7058369 XUPYAENQOMYZOY-GOSISDBHSA-N 425.551 1.989 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)c1 8848907 LKEUUMDFIHKPJW-UHFFFAOYSA-N 441.419 1.352 0 40 IDAB COC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)NCCc2ccccc2)c1=O)CCC3 9410387 GHXVHIBOQCXBDO-UHFFFAOYSA-N 441.509 1.245 0 40 IDAB COC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)NCc2ccccc2)c1=O)CCC3 9435267 RVTOPTFCDVQZQT-UHFFFAOYSA-N 427.482 1.203 0 40 IDAB O=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9607343 NHHMGTNWZPGLRW-UHFFFAOYSA-N 442.501 1.675 0 40 IDAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(OCC)cc4)c(C)cn23)n(C)c1=O 9829408 FFOBFFYSWGBJJF-UHFFFAOYSA-N 439.472 1.799 0 40 IDAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccncc2)CS(=O)(=O)C3)cc1 10250511 LKLFPWLFBAEWBZ-UHFFFAOYSA-N 425.470 1.259 0 40 IDAB Cc1cc(C)n(CCCNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)n1 12603727 FJVPJUFRNVQAQU-UHFFFAOYSA-N 446.577 1.776 0 40 IDAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1 12792267 OGVUDBHHQIWHGX-AWEZNQCLSA-N 441.484 1.690 0 40 IDAB CC(C)N(CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1)C(C)C 12909230 XECYDNJJEHNPLF-QGZVFWFLSA-N 445.607 1.001 0 40 IDAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCCCC1 12945892 HJZLKAPMWQYULF-HNNXBMFYSA-N 440.518 1.461 0 40 IDAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 16056419 OPFDSTNTXFXQQZ-UHFFFAOYSA-N 427.852 1.126 0 40 IDAB Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)c1 17135559 WZOGTKCONMSNAS-UHFFFAOYSA-N 426.502 1.258 0 40 IDAB CN(C)c1ncc(CN2CCO[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)cn1 19703006 VIBDVEFVPMRXLD-MRXNPFEDSA-N 442.545 1.448 0 40 IDAB Cc1nc(C2CCN(C(=O)CCCN3CCOCC3)CC2)ncc1C(=O)N1CCCC1 19766439 KEQYRVHBZQUXAX-UHFFFAOYSA-N 429.565 1.839 0 40 IDAB COC(=O)c1c(NC(=O)CN2CCN(Cc3ccccc3)CC2)sc(C(N)=O)c1C 23477224 QSOIVKIITBJZQW-UHFFFAOYSA-N 430.530 1.698 0 40 IDAB CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(CO)cc2)ccc1Cl 23646484 BQKKOQNUVZOKJP-UHFFFAOYSA-N 426.878 1.878 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 23865841 MZEZMKIXOPVKIV-NRFANRHFSA-N 444.513 1.829 0 40 IDAB O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc(Cl)c2)CC1 24802998 LHMBPZQMHSQTDS-PBHICJAKSA-N 425.938 1.024 0 40 IDAB COc1ccc(C(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1OC 32615729 IQZWSFLUUKNVHH-UHFFFAOYSA-N 432.436 1.853 0 40 IDAB O=C1CCC(=O)N1CCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 32932262 WNPDHFXUIGYJCL-UHFFFAOYSA-N 433.530 1.680 0 40 IDAB CN1CCN(c2cc(OCCNS(=O)(=O)c3cccc(Cl)c3Cl)ncn2)CC1 35598402 BDMGRBYYJRCCOY-UHFFFAOYSA-N 446.360 1.893 0 40 IDAB C[C@](N)(Cc1cc(I)c(O)c(I)c1)C(=O)O 35644111 PXCMIGZYZKLYAA-JTQLQIEISA-N 447.010 1.946 0 40 IDAB in-vitro CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 36384128 FRZGFFSFINBMQX-HXUWFJFHSA-N 436.503 1.486 0 40 IDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 36708441 UZMDHYIUONZSLN-OAHLLOKOSA-N 439.457 1.731 0 40 IDAB CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 57415503 VMGZKUZGOLEXTG-IBGZPJMESA-N 430.505 1.454 0 40 IDAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 58154529 QXVYTXGQOYEDCX-QUCCMNQESA-N 444.557 1.265 0 40 IDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cnn(CC(=O)NC2CCCC2)c1 70010278 OVWNLEYHAJUBOT-UHFFFAOYSA-N 431.880 1.959 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)CC1 96121508 OSWREWGRRJVDRT-UHFFFAOYSA-N 431.562 1.612 0 40 IDAB COc1cccc(-c2noc(CNC(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)n2)c1 224787781 LZDOFFSVYHDVKN-SFHVURJKSA-N 430.486 1.994 0 40 IDAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)COc3cccc4cccnc34)[C@H]2O)CC1 257252941 JWUXYSPMIZLAHU-DNVFCKCGSA-N 426.517 1.176 0 40 IDAB O=C1N(Cc2ccccc2)CC=CC[C@]12CN(Cc1cnc(N3CCOCC3)nc1)CCO2 257302041 SBEDQTZBRWZTNJ-VWLOTQADSA-N 449.555 1.873 0 40 IDAB CCOC(=O)c1c(NC(=O)CN2CCC[C@@H](c3nc(C)no3)C2)sc(C(N)=O)c1C 505553016 HLYPNLBMZDVYAB-GFCCVEGCSA-N 435.506 1.842 0 40 IDAB COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 516577919 WTUQFZDVUPVDOF-CXAGYDPISA-N 434.518 1.400 0 40 IDAB COc1ccc(CCNC[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc1OC 585290231 OZCGSXNORSLWKL-ZCYQVOJMSA-N 442.556 1.793 0 40 IDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCCc2nc3ccc(F)cc3[nH]2)C1 585290451 BIXXSXMFRKUEQB-CTNGQTDRSA-N 448.520 1.021 0 40 IDAB CO[C@H]1CN(C(C)=O)CCCN(Cc2ccccc2Cl)CCCCOC[C@H](O)[C@@H]1O 643913050 OVKRPDFNAJNDFD-FKBYEOEOSA-N 442.984 1.928 0 40 IDAB Cc1nc(N2CCOCC2)cc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n1 2069538954 XAKRMPILOXMMQP-UHFFFAOYSA-N 449.441 1.405 0 40 IDAB CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccc(Br)cc1 717792 VXVSZPSLVXDEPL-UHFFFAOYSA-N 448.321 1.925 0 40 IDAB CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 1847786 MWTKHYIBRBUQHF-IBGZPJMESA-N 438.406 1.795 0 40 IDAB CCOC(=O)CSc1nnc(-c2nnc(SCC(=O)OCC)n2CC)n1CC 4034520 VRARVGXEOCXYDW-UHFFFAOYSA-N 428.540 1.887 0 40 IDAB COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)c(OC)c1 8761993 IRBNXFLCFIHNST-CAOSSQGBSA-N 434.489 1.624 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCSCc2ccco2)cc1 9125831 LSAXYGOSUWXWPJ-ZDUSSCGKSA-N 425.532 1.954 0 40 IDAB CC(C)CN(C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 9491992 XKLPUZYVZKWIDC-MRXNPFEDSA-N 444.937 1.285 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)Nc3nccs3)C2)cc1 9530923 LEUFUAYBYKBCCL-ZDUSSCGKSA-N 438.531 1.307 0 40 IDAB CC(C)CN(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 9792299 LKKCUGRZMFSWHR-IERDGZPVSA-N 433.530 1.052 0 40 IDAB Cc1cc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1C[C@H]1CCCO1 9981455 PWEZAMXIPIWRQJ-MRXNPFEDSA-N 431.489 1.874 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@H](c2ccc(O)c(OC)c2)n2nnnc2N1 10232074 YQVMRACUPLJQLN-KRWDZBQOSA-N 425.376 1.851 0 40 IDAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc21 10856547 ZCARSYGJQADRBF-CYBMUJFWSA-N 445.501 1.886 0 40 IDAB CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)C1CCN(S(C)(=O)=O)CC1 12185376 WLMZYMOKPYSYNE-ZDUSSCGKSA-N 428.536 1.131 0 40 IDAB CN1C(=O)Cc2cc(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)ccc21 12599260 SRCWXEUCILTERW-GFCCVEGCSA-N 434.543 1.286 0 40 IDAB CCOc1ccc(CCNC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1OCC 13533638 OTWNKAZXEYJKRG-UHFFFAOYSA-N 431.514 1.918 0 40 IDAB C[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 19079563 DPMLLRPXAYGMEY-RGUAHJAXSA-N 434.496 1.333 0 40 IDAB Cn1cnc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccc(F)cc2)c1 19290790 XVZOWXJOLGXLED-KRWDZBQOSA-N 426.452 1.193 0 40 IDAB COc1ccccc1CN1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)C1 19570354 DFAXTUURYQNJMD-MRXNPFEDSA-N 432.546 1.476 0 40 IDAB COc1cccc(N2C[C@H](C(=O)NCCNC(=O)[C@@H]3COc4ccccc4O3)CC2=O)c1 20745915 XKEJPCJLZAMDMI-QRWLVFNGSA-N 439.468 1.121 0 40 IDAB Cc1ccc(OCC(=O)N2CCN(CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 20891190 UVIXGVXEDYUQEY-UHFFFAOYSA-N 425.485 1.677 0 40 IDAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134453 VKJSPEHANIWBFX-KRWDZBQOSA-N 449.490 1.499 0 40 IDAB O=C(CN1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1)Nc1ccccc1 23762638 OZRIORQSLCBGIH-UHFFFAOYSA-N 427.530 1.595 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c1 30655311 YFYMZJHOACKOBN-UHFFFAOYSA-N 430.530 1.501 0 40 IDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2c(C)nn(C)c2C)CC1 32215764 WYEIAURFGZRYPM-UHFFFAOYSA-N 434.518 1.863 0 40 IDAB O=C(CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1)NC1CC1 35325250 WFEBUTUOXQQKDZ-KRWDZBQOSA-N 432.952 1.615 0 40 IDAB CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 44842627 HRPAVPNXBHIZCG-UHFFFAOYSA-N 432.384 1.669 0 40 IDAB COc1ccccc1CCNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72325891 HJGQDWLDQAUWPB-XMMPIXPASA-N 436.512 1.918 0 40 IDAB O=C(CCn1nnc2ccccc21)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338778 UHLDAULEUBTELF-OAQYLSRUSA-N 440.529 1.790 0 40 IDAB COC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1 89914345 WWFWTKJEQCVVTF-SZNDQCEHSA-N 434.395 1.958 0 40 IDAB CN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CCC(N(C)C)CC4)cn23)CC1 96267386 ZDIQVBQNWOUENI-UHFFFAOYSA-N 440.592 1.316 0 40 IDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2nc(NC[C@@H]3CCCO3)nc(N3CCCC3)n2)C1 100149873 DTMVUOWUEBKXAB-BZSNNMDCSA-N 437.548 1.848 0 40 IDAB COCCn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cc(S(N)(=O)=O)ccc21 100873031 ADULVPJPCVFUPI-XOMICKMZSA-N 449.510 1.264 0 40 IDAB O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 108479372 VKTYFABUADBNOK-QBPKDAKJSA-N 432.464 1.111 0 40 IDAB CCOC(=O)[C@]1(Cc2ccc(O)cc2)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 169304432 CLJUXOSYNIMXSO-FZONSQQESA-N 426.444 1.951 0 40 IDAB COC(=O)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2O1 222881616 IYGVIABCPXEVPD-LJQANCHMSA-N 432.498 1.837 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 225197995 JLRWWCORCXHTKC-INIZCTEOSA-N 433.530 1.625 0 40 IDAB Cn1nc(-c2ccccc2)cc1C(=O)NCCN1CCN(C[C@H](O)COC(C)(C)C)CC1 252490098 KJAYSZCPKSGXAJ-FQEVSTJZSA-N 443.592 1.611 0 40 IDAB CNc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(OCCN(C)C)cc3)C2)ncn1 257289018 PWQXMBRSQDMWLB-JOCHJYFZSA-N 428.537 1.220 0 40 IDAB O=C(CN1CCOCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257308391 TWOLTRWCSYBWHM-CQOQZXRMSA-N 431.577 1.009 0 40 IDAB Cc1nn(C)cc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 257322236 WFDFKBGTCAWCBU-RXVVDRJESA-N 426.517 1.887 0 40 IDAB CN1CCN(C(=O)CCC2=NNC(=O)CC2)C[C@@H]1C(=O)Nc1cccc(N2CCCC2)c1 257326569 WXRJOFJGZIVIFK-HXUWFJFHSA-N 440.548 1.414 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(F)cc1 409267055 RVVVCHPVFSNPDV-UHFFFAOYSA-N 435.477 1.703 0 40 IDAB NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)Cn3c(O)nc4ccccc4c3=O)c2)C1 518141332 PYPSCWQMPLSORS-GOSISDBHSA-N 449.511 1.116 0 40 IDAB C[C@@H]1Cc2ccccc2N1CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1626136834 UYOOFWCOMCMALB-GTCCEBARSA-N 425.504 1.897 0 40 IDAB COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccnc3)cc2)ncn1 2284396 YPRFDEFGTPVUPP-UHFFFAOYSA-N 444.498 1.808 0 40 IDAB CCCn1nnnc1Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O 9199719 CDWHNONDRFBOOQ-UHFFFAOYSA-N 434.504 1.968 0 40 IDAB CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 9218373 SPASYDSRAQJQDN-OXJNMPFZSA-N 441.557 1.884 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1 9337477 ZUHCUHYOEGBBIF-UHFFFAOYSA-N 433.530 1.147 0 40 IDAB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CS2 9465587 FXYRPRXRAGJMJF-MAUKXSAKSA-N 427.523 1.113 0 40 IDAB O=C(COCC(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ccccc2)CC1 9601645 BWDMREGTXSGXAB-UHFFFAOYSA-N 440.519 1.840 0 40 IDAB CCOc1ccc(NCCN2N=C(C)[C@@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 10108873 KFEAQVZGHXGYON-CQSZACIVSA-N 425.493 1.701 0 40 IDAB COc1ccc(OC[C@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 10385388 GLZZBDACDKESOH-CQSZACIVSA-N 431.493 1.330 0 40 IDAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)cc2n1 12134564 VZUPJPDWKDQYHL-HNNXBMFYSA-N 435.550 1.375 0 40 IDAB CN1N=C(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CCC1=O 16233664 DWPOZCZLIDGJFJ-UHFFFAOYSA-N 425.411 1.396 0 40 IDAB CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 16682932 WQBVFILOFNKOJW-UHFFFAOYSA-N 439.534 1.587 0 40 IDAB COc1ccccc1OCCNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 18075450 LQKMQQYOXVBFQM-IBGZPJMESA-N 431.514 1.954 0 40 IDAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccccc3)[nH]c2=O)C1 19520457 NYDKREOECKQYRX-IBGZPJMESA-N 444.557 1.774 0 40 IDAB CS(=O)(=O)N1CCc2cc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)ccc21 19819407 DEUSAKZUWPFTSS-UHFFFAOYSA-N 449.510 1.463 0 40 IDAB Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C)CC3)c(=O)[nH]c2cc1C 19940812 QHXACNILJWOAPW-GHTZIAJQSA-N 437.548 1.647 0 40 IDAB COc1ccc(OCC(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cc1 23134763 HWFITAOKYSXJEX-UHFFFAOYSA-N 444.442 1.672 0 40 IDAB O=C(O)c1nc(C(=O)O)c(I)c(O)c1I 31298008 HXICYCRHINUFJM-UHFFFAOYSA-N 434.911 1.393 0 40 IDAB CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)N(C)C 32933045 SKSQZPSETQUBPE-AEFFLSMTSA-N 425.551 1.377 0 40 IDAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 32990944 DHFDIXXDGUDQGP-HNNXBMFYSA-N 435.933 1.991 0 40 IDAB CCNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)NC4CCCC4)c(=O)c3s2)C1 33141268 PBUNKIAJUVEMFG-ZDUSSCGKSA-N 432.550 1.264 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 40013172 JOAUPGRUTFHEBX-MRXNPFEDSA-N 438.550 1.306 0 40 IDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1 48374712 WUPAUWNNSCPSSI-OAHLLOKOSA-N 425.551 1.833 0 40 IDAB CC(=O)[C@@H]1CC(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)=NN1c1ccccc1 58225474 OIDNKEYNISZBRY-IBGZPJMESA-N 438.488 1.290 0 40 IDAB COc1cc2c(cc1OC)CN(C(=O)COc1coc(CN3CCOCC3)cc1=O)CC2 72324814 HUNZZDMWSKNUQP-UHFFFAOYSA-N 444.484 1.453 0 40 IDAB biogenic COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)C(C)C)cc1 79016164 HVSCCXLPZWQVBW-ULYRPOKDSA-N 430.505 1.286 0 40 IDAB O=C(Cn1cc(NC(=O)C(=O)NCc2cccc(-n3cccn3)c2)cn1)NC1CCCC1 79111326 JHIOCYDLTAGFSF-UHFFFAOYSA-N 435.488 1.383 0 40 IDAB Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1S(=O)(=O)N1CCOCC1 95955695 QEXUNEOREUWCRL-GOSISDBHSA-N 432.498 1.442 0 40 IDAB COc1ncccc1CN1CCC2(CC1)O[C@H](C(=O)NC[C@@H]1CCCO1)Cn1ccnc12 96243778 HQOGRSZWJUJREE-OALUTQOASA-N 441.532 1.472 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1 222625019 RDVRGSAGZDKLMO-OAHLLOKOSA-N 449.504 1.902 0 40 IDAB COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)s1 222783577 HNCOSNAQMRXERY-JTQLQIEISA-N 430.533 1.596 0 40 IDAB COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)C(=O)NCc2ccncc2)cc1 222969642 YOXKEGCSUZXTOR-INIZCTEOSA-N 448.545 1.015 0 40 IDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)ccc1OC 223850252 WVAOUVKDLAUHAG-UHFFFAOYSA-N 431.514 1.656 0 40 IDAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 224650643 KRDCRJHYXRUMJA-INIZCTEOSA-N 443.525 1.775 0 40 IDAB O=C1CCCN1CC(=O)N1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 257252600 JVJHEJJJCHCLMV-IBGZPJMESA-N 434.443 1.832 0 40 IDAB CN(Cc1ccc(C(C)(C)C)cc1OCC(N)=O)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257258610 KUTDOXOXQTWZOV-TXTKFYIRSA-N 433.593 1.894 0 40 IDAB Cn1ccc(C(=O)N2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)n1 306134879 OAKUVHXBEKFHCO-YKSBVNFPSA-N 431.496 1.853 0 40 IDAB CS(=O)(=O)N[C@H]1CCN(C(=O)N2CCCC2)C[C@]12CCN(Cc1cccs1)C2 306142191 WSFWVLNBOFPGAD-PKOBYXMFSA-N 426.608 1.780 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(=O)N1CCOCC1 408617885 DXYLOBRIUVZWAU-UHFFFAOYSA-N 429.542 1.978 0 40 IDAB CC(C)N1CCN([C@H]2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)CC1 610727341 NOIXPVHZURRBNR-RXVVDRJESA-N 426.565 1.374 0 40 IDAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1=O 643556051 GFDHSCXQZYXVOM-HSZRJFAPSA-N 431.533 1.374 0 40 IDAB C[C@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)N(c1ccccc1)S(C)(=O)=O 640229 NASFEZHWBGURKL-MRXNPFEDSA-N 431.514 1.952 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)NCc3ccccc3)n2Cc2ccccc2)n(C)c1=O 930450 LKUDKKFMAVESIQ-UHFFFAOYSA-N 449.536 1.891 0 40 IDAB CC(C)CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 8738998 PKFTYAHBOKBCLH-UHFFFAOYSA-N 430.940 1.903 0 40 IDAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 9549028 QICKTKYPIMHBIM-VFNWGFHPSA-N 445.497 1.378 0 40 IDAB COc1cccc(-n2nnc3c(N4CCN(C(=O)COc5ccccc5)CC4)ncnc32)c1 9850962 WOTINHBLSYSNGK-UHFFFAOYSA-N 445.483 1.947 0 40 IDAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)C1=O 9909783 HEXYVWQKOGWEAZ-RTWAWAEBSA-N 429.498 1.300 0 40 IDAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 10255957 GIQLPBFGCZAHKM-LJQANCHMSA-N 429.498 1.025 0 40 IDAB CC(C)(C)NC(=O)COC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11052795 KXQDFWCMHKQVGT-UHFFFAOYSA-N 428.415 1.817 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCCCc2ccccc2)cc1 12080772 WGJGYQWDIOELAO-HXUWFJFHSA-N 445.541 1.207 0 40 IDAB Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(Br)cc3)=C2)cnn1C 12155100 SOTCJZQKHLIETK-UHFFFAOYSA-N 438.307 1.993 0 40 IDAB COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cc(Cl)ccc1OC)c(=O)n2C 12445468 STDITEMITNCARM-UHFFFAOYSA-N 446.847 1.491 0 40 IDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 12764306 NBEOQHNYNOHSOL-UHFFFAOYSA-N 444.499 1.697 0 40 IDAB CCOc1ccc(OCCC(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1 12858502 SCTZTDDXQSETKC-UHFFFAOYSA-N 447.488 1.379 0 40 IDAB CCOc1ccc(C(=O)NCC(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1 12897817 MZXFKPWHGYNQEK-NRFANRHFSA-N 426.469 1.958 0 40 IDAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)c1ccsc1 12982661 KVDDDYZLRSOTLM-UHFFFAOYSA-N 443.497 1.679 0 40 IDAB O=C1C(=O)N(CN2CCN(C(=O)N3CCOCC3)CC2)c2cc(Br)ccc21 12983872 CLLIXFRLDMHGQM-UHFFFAOYSA-N 437.294 1.006 0 40 IDAB Cc1cc(C)c2c(c1)[C@@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 15959538 RPQFRVHPUSVADI-HBIFWPJPSA-N 433.508 1.647 0 40 IDAB C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 19079990 KTMPNFKAMZQMQF-VTJXTGGHSA-N 434.514 1.095 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)[C@H]2c2ccccc2)cc1 19211524 XQIQRUSPSNHALZ-JOCHJYFZSA-N 429.542 1.859 0 40 IDAB CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)C1 19530339 PAJNPFPDGHNLPN-LJQANCHMSA-N 444.576 1.951 0 40 IDAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)CN2CCCC2=O)CC1 19573761 HXPGNYLXCNYAMR-UHFFFAOYSA-N 449.577 1.199 0 40 IDAB CNc1cc(C(=O)N2CCO[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)ccn1 19762843 OQFGCWCLFTUDJW-NRFANRHFSA-N 449.511 1.950 0 40 IDAB NC(=O)C1CCN(CC[C@H]2CN(C(=O)COc3ccccc3)CC[C@H]2CC(=O)O)CC1 20463123 HCWFTASRHQAIRY-OALUTQOASA-N 431.533 1.592 0 40 IDAB biogenic,in-vitro C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O 23718490 QLLAQDCJRMEMLW-JOCHJYFZSA-N 446.573 1.550 0 40 IDAB Cn1cccc1[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 32759763 ZIELZIUISFWXSI-LJQANCHMSA-N 434.537 1.834 0 40 IDAB O=C(c1ccccc1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 40072733 RGBPPNSHYTZKNC-UHFFFAOYSA-N 442.541 1.467 0 40 IDAB O=C(CNS(=O)(=O)c1cccs1)N1CCC(c2oncc2-c2cnccn2)CC1 57743558 KIFUEFORCJIQEX-UHFFFAOYSA-N 433.515 1.878 0 40 IDAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 58077634 VQKLYJVPNWQOCB-IBGZPJMESA-N 430.505 1.929 0 40 IDAB Cc1cc(C)c(CNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1 58916188 YWMMHPDLISNSOF-UHFFFAOYSA-N 442.335 1.691 0 40 IDAB COc1ccc(OC)c(NC(=O)Cn2nc3c(N4CCC[C@@H](C)C4)nccn3c2=O)c1 71328210 ORECZBAGGCRHSS-CQSZACIVSA-N 426.477 1.783 0 40 IDAB O=C(Cn1nnn(-c2ccc(NC(=O)c3ccccc3F)cc2)c1=O)NCc1ccco1 77100275 YFWVBKKYUKJXJK-UHFFFAOYSA-N 436.403 1.730 0 40 IDAB COC(=O)[C@@]1(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CCSC1 95444109 VGKKXBAVWIOGTK-OAHLLOKOSA-N 436.349 1.529 0 40 IDAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 169685338 VCIRVTJQPNZIIS-NXEZDXNNSA-N 439.342 1.971 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 222413692 TYDDRQUVOCQUBV-KRWDZBQOSA-N 447.557 1.933 0 40 IDAB COCCOCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257302144 SBRWHCZLUVVSMK-FIXSFTCYSA-N 434.577 1.464 0 40 IDAB Cc1cccc(Oc2ccc(S(=O)(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)cc2)c1 544666772 RUENEYNVXQRSCS-MRXNPFEDSA-N 439.559 1.981 0 40 IDAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCN(C)C(=O)C2)C3)c1 585103564 HLDHNQHQVQTMJM-FQEVSTJZSA-N 431.533 1.489 0 40 IDAB COC(=O)c1cnc([C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)s1 1557104633 HEZMYIAYCBXLIC-YUELXQCFSA-N 433.486 1.879 0 40 IDAB COCCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)c5ccccc5F)C[C@H]4C3)ncnc21 1888944434 WTDFKZCWGBUMCM-HUUCEWRRSA-N 446.508 1.369 0 40 IDAB O=C(NC1CCCC1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)Cn2ccccc2=O)C1 2055793213 AHRGWTVQGXQEKI-QHCPKHFHSA-N 438.532 1.367 0 40 IDAB O=C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]2CCCC[C@@H]12 1088442 FYCUCUDXCHKGHM-MSOLQXFVSA-N 442.559 1.230 0 40 IDAB Cc1c(CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2111844 XGXOZGUERVOFMS-ZDUSSCGKSA-N 439.852 1.411 0 40 IDAB biogenic CSC[C@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)O 8876682 SMJDGBAVGNJKCB-IRXDYDNUSA-N 433.530 1.868 0 40 IDAB biogenic CS(=O)(=O)N1CCc2cc(C(=O)Cn3cnc4c(cnn4-c4ccccc4)c3=O)ccc21 8882997 FSCBFUOREWZNJH-UHFFFAOYSA-N 449.492 1.787 0 40 IDAB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cn(CC(N)=O)c3ccccc23)C1=O 8995428 DWGHYXFUNVRHSU-ZDLGFXPLSA-N 431.452 1.966 0 40 IDAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCCC1=CCCCC1 9170068 NRPHNIJPAJQSQN-UHFFFAOYSA-N 435.546 1.956 0 40 IDAB COC(=O)CCn1c(=O)c2c(nc3n(Cc4ccc(OC)cc4)c(C)c(C)n23)n(C)c1=O 9713025 IBTYLDZZCPHNOW-UHFFFAOYSA-N 439.472 1.386 0 40 IDAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCCCO2 9816413 CLJJKTZGNRNHHA-UHFFFAOYSA-N 448.497 1.886 0 40 IDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C2=O 9982176 JUQNTOPVXXTLDZ-APBUJDDRSA-N 426.395 1.659 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc21 10749326 ZOUDBRGEQAEJKX-UHFFFAOYSA-N 442.541 1.664 0 40 IDAB CCCc1nc(SCC(=O)Nc2ccc(F)cc2F)c2c(=O)n(C)c(=O)n(C)c2n1 11758088 SSMSTBIVXDIKNU-UHFFFAOYSA-N 435.456 1.989 0 40 IDAB CCCN(C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 12567707 WYFSODKJUSWNMB-YJYMSZOUSA-N 439.559 1.257 0 40 IDAB COc1ccc(-c2nnc(S)n2CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 12763084 OTPHPFARRRJTIW-UHFFFAOYSA-N 433.515 1.206 0 40 IDAB COCCNC(=O)[C@@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1 13625610 AWKCENBFUQTOKC-WWDZGPRUSA-N 439.578 1.347 0 40 IDAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 16594465 MVQZBZLDDQXELP-HSZRJFAPSA-N 436.468 1.622 0 40 IDAB CNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)NC)ccc2F)nc1C 19711227 TVWNEQOXQPWOQZ-SFHVURJKSA-N 434.493 1.774 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1cccc(Br)c1 44791333 ZDSZUSZACWOOSH-UHFFFAOYSA-N 426.292 1.953 0 40 IDAB CCOc1ccc(-c2cc(C(=O)N3CCN(CC(=O)NCCCOC)CC3)n[nH]2)cc1 57413294 SVKDSAUHTIKJCA-UHFFFAOYSA-N 429.521 1.386 0 40 IDAB CCCOc1ccc([C@]2(C)C(=O)N(N3CCOCC3)C(=O)N2CN2CCOCC2)cc1 57471652 NBUCYEDDOZSVFR-JOCHJYFZSA-N 432.521 1.492 0 40 IDAB COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)cc1OC 57520591 HWPVLVZZQUJZGY-UHFFFAOYSA-N 445.501 1.413 0 40 IDAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cnn(-c2ccccc2)c1 58014136 OHULDXXGLHNFIA-UHFFFAOYSA-N 448.526 1.694 0 40 IDAB COCCn1c2c(c(=O)[nH]c1=O)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(O)=N2 61720945 UMUYXLGUVCEZRR-NSHDSACASA-N 426.351 1.916 0 40 IDAB COc1ccc(N2C[C@H](C(=O)N3CCC(N(C)CC(=O)NC(C)C)CC3)CC2=O)cc1 95432321 UYKAUCDJUCDFAL-QGZVFWFLSA-N 430.549 1.496 0 40 IDAB CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1cc(C(=O)C(=O)O)c2ccccc21 101112334 GKASZHXFBQGIKI-GTAWCEEGSA-N 447.396 1.233 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN4CCOCC4)ccc32)cc1 223069705 VLBJLUMCSCBBLP-UHFFFAOYSA-N 429.542 1.808 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1 253403093 PIFPQCOWXYXURL-UHFFFAOYSA-N 445.541 1.677 0 40 IDAB CN(C)CCOc1cccc(C(=O)N[C@H]2CCC[C@H](n3cnc4c(N)ncnc43)[C@H]2O)c1 257252875 JWLVGKLVURCTAW-LNLFQRSKSA-N 439.520 1.233 0 40 IDAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)N4CCC(C(N)=O)CC4)[C@H](O)[C@@]3(O)[C@@H]1C2 257324669 WPQPZTMPSWWUBT-OGPMQWJKSA-N 430.501 1.321 0 40 IDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CCN(C(=O)Cc4ccccc4)C[C@@H]32)cc1 306129513 IFPZRCZWNHZABL-NHCUHLMSSA-N 430.508 1.950 0 40 IDAB CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccccc2)n(C2CCCC2)c1=S 504423801 HJKQNVULGADNMX-YFYQMDMQSA-N 448.545 1.312 0 40 IDAB biogenic CCCC(=O)N1CC=CCOC[C@H](O)[C@H](O)[C@@H](OCCC(C)C)CN(C(C)=O)CC1 1615160534 JHZTUKCVPXWZFW-ONTIZHBOSA-N 428.570 1.203 0 40 IDAB COc1cc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc(OC)c1OC 1251567 ZQDVHYMDYNLOLH-PDGQHHTCSA-N 437.477 1.676 0 40 IDAB O=C1[C@@H]2C3C=CC([C@H]2C(=O)N1c1cccc(O)c1)[C@H]1C(=O)N(c2cccc(O)c2)C(=O)[C@H]31 8397312 CEYMZESSFHGLPA-CVUDOADXSA-N 430.416 1.825 0 40 IDAB COc1ccc(CCC(=O)N[C@@H](C)C(=O)N2CCC3(CC2)NCCc2[nH]cnc23)cc1 8791975 NCCXLHNSFHHUMC-INIZCTEOSA-N 425.533 1.519 0 40 IDAB biogenic COc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 9047512 YXMLBRDFLVMRCB-MRXNPFEDSA-N 431.514 1.851 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)OCCCn2c(=O)[nH]c3ccccc32)nc1N 9463275 WOZXBUBZCHKNKK-UHFFFAOYSA-N 431.474 1.604 0 40 IDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21)Nc1ccc2c(c1)OCCO2 9674899 RZZRTAUGFWTTAH-QZTJIDSGSA-N 425.376 1.529 0 40 IDAB COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2C)c1 9699345 DASISNSTWNZSRM-UHFFFAOYSA-N 433.519 1.644 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCCc2ccccc21 11906161 AJYYPMBUFGGZMI-UHFFFAOYSA-N 436.511 1.903 0 40 IDAB O=C(NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1 12164426 GNYNWMPTGNPUAT-UHFFFAOYSA-N 425.461 1.027 0 40 IDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13097327 IHVCDVQNXHSOGT-KDOFPFPSSA-N 447.513 1.659 0 40 IDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCN(C(=O)c2cccs2)CC1 13116937 IUOXXKKYRRTZMN-JOCHJYFZSA-N 438.509 1.426 0 40 IDAB CCOc1ccc(N(CC(=O)NCCOC)C(=O)CCC(=O)Nc2ccccn2)cc1 13501536 OJVCKYAUDLLKDA-UHFFFAOYSA-N 428.489 1.995 0 40 IDAB CS(=O)(=O)N(CCCC(=O)NCCN1CCOCC1)c1cc(Cl)ccc1Cl 14396796 WYZWQCNACMPXBZ-UHFFFAOYSA-N 438.377 1.988 0 40 IDAB Cn1c(=O)c(C(=O)CSc2nnc(-c3ccc[nH]3)o2)c(N)n(Cc2ccccc2)c1=O 18364824 RLXPOQDOBDJLLI-UHFFFAOYSA-N 438.469 1.531 0 40 IDAB CC(C)OCCCNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19079942 GUKWXGNKORDDFB-UHFFFAOYSA-N 427.552 1.522 0 40 IDAB CCCN1CCN([C@H](c2cc3c(C)cc(C)cc3[nH]c2=O)c2nnnn2CCOC)CC1 19503405 DEEXNOSHTUZNBI-OAQYLSRUSA-N 439.564 1.895 0 40 IDAB CS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 19573379 IRZCMUWCYRHPNL-INIZCTEOSA-N 438.509 1.794 0 40 IDAB Cc1nc(CC(=O)N2CCO[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cs1 19759091 GIFCPEFPOCVDFY-FQEVSTJZSA-N 440.525 1.864 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)cc1 20031050 IUTPOUUQDFDUCJ-UHFFFAOYSA-N 445.950 1.065 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)[C@H](NC(=O)c2cccs2)C(C)C)cc1 22971462 ZXRPCFGSUQALEC-QGZVFWFLSA-N 439.559 1.606 0 40 IDAB O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134567 AVCZWMNSNKWBDQ-UHFFFAOYSA-N 434.431 1.866 0 40 IDAB Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 23156356 OLIYNBKALVJYIK-OAQYLSRUSA-N 449.548 1.992 0 40 IDAB CCN(C(=O)[C@H](C)OC(=O)COc1cccc2c1OC(C)(C)C2)[C@@H]1CCS(=O)(=O)C1 24224322 RZIDMFHIHFURHG-GOEBONIOSA-N 439.530 1.746 0 40 IDAB O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 26096760 ZUEADKODKGGDGG-HXUWFJFHSA-N 440.529 1.426 0 40 IDAB Cn1c(=O)c(C(=O)Cn2cccc(C(F)(F)F)c2=O)c(N)n(Cc2ccccc2)c1=O 31813512 LIYVFBTVGWOFCB-UHFFFAOYSA-N 434.374 1.241 0 40 IDAB CCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccccc3OC)CC2)c1=O 57478690 IHNJYFKOUAZQAD-UHFFFAOYSA-N 428.514 1.602 0 40 IDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCC(O)CC3)cc2)cc1 77200946 ZSMLQTGHDJVDOW-UHFFFAOYSA-N 432.498 1.800 0 40 IDAB COC(=O)N1CCC(CNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1 90567500 VMEGHFUUHURNHJ-UHFFFAOYSA-N 445.563 1.373 0 40 IDAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@@H]1CCN(C2CC2)C1=O 95441560 KPXJOFXNIFZUFB-HXUWFJFHSA-N 427.526 1.967 0 40 IDAB O=C(O)CCOCCOCCOCCOCCNC(=O)OC[C@@H]1[C@H]2CCC#CCC[C@H]21 109280617 MOPSTLKSTPBGBX-PMOLBWCYSA-N 441.521 1.693 0 40 IDAB in-vitro CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2OC)C1 138799428 GSAFYGOZEHJAPE-INIZCTEOSA-N 439.468 1.933 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 223041591 YAZKQPCGZQODKC-UHFFFAOYSA-N 441.575 1.032 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@H](COc4ccc(C5CC5)nn4)C3)cc21 1888928908 PCXVHTFHHMLSPN-ZDUSSCGKSA-N 430.486 1.889 0 40 IDAB Nc1ccc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2ccc(N)cc2)cc1 1621087 WGGVKAPXKRHXAH-UHFFFAOYSA-N 426.564 1.668 0 40 IDAB Cc1nc(N)nc(O)c1CCCNc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1 8626528 NBUXEXTYPLVFND-OAHLLOKOSA-N 431.449 1.165 0 40 IDAB CCCCn1c(N)c(N(C(=O)Cn2nnc3ccccc32)C2CCCC2)c(=O)[nH]c1=O 9054170 KKZNDFTYPWSRJX-UHFFFAOYSA-N 425.493 1.639 0 40 IDAB Cc1c(NC(=O)[C@H](C)Sc2nnnn2C[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 9316737 PHFPZEGJXCMZIY-GOEBONIOSA-N 443.533 1.769 0 40 IDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9481733 GFDYOVINRBJOCZ-UHFFFAOYSA-N 448.508 1.962 0 40 IDAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@H](c2ccc(C(=O)OC)cc2)n2nnnc2N1 10232072 DBDWWZKYEWMOBO-KRWDZBQOSA-N 437.387 1.924 0 40 IDAB COC(=O)c1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc(C(=O)OC)c1 11342692 SAUJBOGMDZQSMD-UHFFFAOYSA-N 432.410 1.043 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)n(C)c1 12677817 YEFBTHFFOBINLF-UHFFFAOYSA-N 442.563 1.558 0 40 IDAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NN1C(=O)NC2(CCCCC2)C1=O 12795818 XBUDMEOADILHBD-UHFFFAOYSA-N 429.502 1.692 0 40 IDAB CC(=O)N1CCCN(C(=O)CN2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)CC1 19017615 XBIZAOJTLQHQRR-UHFFFAOYSA-N 429.565 1.230 0 40 IDAB CCN1CCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)CNC(=O)c2ccccc2O3)CC1 19527778 IUZDXSPIPABEGC-SBUREZEXSA-N 428.533 1.113 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C[C@@H]3C=CCC3)C1)C2=O 19699597 KOFVGLXESLJWMU-MSOLQXFVSA-N 430.549 1.903 0 40 IDAB CC1CCN(Cc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)CC1 19897544 BYAMLIXGTQDTAB-UHFFFAOYSA-N 425.536 1.680 0 40 IDAB C[C@@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 24756789 GYEFWVKFYANGKH-IUODEOHRSA-N 444.351 1.054 0 40 IDAB COc1ccc(Br)c(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c1 31387342 QRJBPTGJRITSQK-UHFFFAOYSA-N 432.340 1.556 0 40 IDAB CC(=O)NCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 32969355 JCCFSDAMGRZOQU-UHFFFAOYSA-N 438.369 1.164 0 40 IDAB C[C@@H]1NC(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)=NN(c2ccccc2)C1=O 33001811 LUSWYWUJKCYHKP-GJZGRUSLSA-N 428.514 1.948 0 40 IDAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(CC(=O)N3CCCC3)CC2)c2ccccc21 36365680 KIQHVXKXTMTKIN-NRFANRHFSA-N 428.489 1.092 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccsc3)CC2)o1 46776493 QRTZLGQNPNAVFA-UHFFFAOYSA-N 426.516 1.984 0 40 IDAB O=C(Cc1ccncc1)NCCc1nc(-c2ccccc2)ncc1C(=O)N1CCOCC1 72356116 VLBMCNSIUHQDQJ-UHFFFAOYSA-N 431.496 1.912 0 40 IDAB Cn1nnn(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)c1=O 77100081 OPCAMILCIXFTEB-UHFFFAOYSA-N 442.501 1.393 0 40 IDAB CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccccc3)cn12 96156705 DDGCOJDNZQAEGP-LJQANCHMSA-N 428.500 1.942 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 107154377 FVGQIQWVILZBNR-MRXNPFEDSA-N 426.539 1.474 0 40 IDAB CN(c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1)S(C)(=O)=O 219693742 JCBRXBKSENYLPK-UHFFFAOYSA-N 445.950 1.995 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224733711 RDFMDTMSMZDXOS-UHFFFAOYSA-N 431.558 1.764 0 40 IDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888913351 YKVNQNMWGBLOSN-LLVKDONJSA-N 445.427 1.573 0 40 IDAB COc1ccc(NC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc1OC 3337321 CCJILVCVZKIDRF-ZHACJKMWSA-N 434.470 1.776 0 40 IDAB COCCn1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 8677500 VZTZUOGCZZSOTK-UHFFFAOYSA-N 438.444 1.685 0 40 IDAB C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9493654 IZXTZGMMVOCUHW-CQSZACIVSA-N 433.486 1.875 0 40 IDAB O=C([C@@H]1CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)c2ccccc2O1)N1CCOCC1 9495409 GPIZDHHHXCLNNA-FQEVSTJZSA-N 434.452 1.119 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)Nc3ncc(C)s3)CC1)O2 12087104 SBDAUNAWCXQXAO-NRFANRHFSA-N 444.513 1.972 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccs2)NC(=O)N[C@H]1c1cccs1 12722023 CIJIRYDMDZBHEH-INIZCTEOSA-N 449.510 1.954 0 40 IDAB O=C(c1ccco1)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 12764970 VGJXQLITFUFVEL-QGZVFWFLSA-N 431.514 1.665 0 40 IDAB COC(=O)CNC(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 12869643 KYVRUQJFSZNPIS-UHFFFAOYSA-N 427.504 1.384 0 40 IDAB C[C@@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 13009809 VPEOLPAJLOQGEF-NSHDSACASA-N 435.333 1.240 0 40 IDAB CC(C)CN(C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13011816 KXGQOXAOFRSRFC-RBZFPXEDSA-N 437.566 1.218 0 40 IDAB COCCN(CCOC)C(=O)COc1ccc2c(c1)OC1(CCN(C(C)=O)CC1)CC2=O 13688062 DMGJAVKDHQHAQP-UHFFFAOYSA-N 448.516 1.533 0 40 IDAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2C)cc1 14252553 ORFUGQAPMRVFIY-FQEVSTJZSA-N 430.574 1.802 0 40 IDAB O=C(c1cn(C[C@@H]2CCCN(C(=O)c3cc(-c4ccco4)on3)C2)nn1)N1CCOCC1 19342481 LFGFAHHTRSTYQT-OAHLLOKOSA-N 440.460 1.551 0 40 IDAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCOCC3)cc2c1 19519913 PUUDIARHAQSKDZ-PXNSSMCTSA-N 440.504 1.514 0 40 IDAB COc1ncc(C2(O)C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3c(c2)OCCO3)c(OC)n1 19594777 KBPZEBNSBNBLMM-SZLXDWMPSA-N 427.457 1.920 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN(C(=O)c4cnccn4)C3)nc2n(C)c1=O 19743496 AJUCIXWVLASRSI-LLVKDONJSA-N 448.405 1.461 0 40 IDAB COc1cccc(N2CCN(C(=O)Cn3cnc4cc(OC)c(OC)cc4c3=O)CC2)c1 20745332 ITVOIRFSLLECAP-UHFFFAOYSA-N 438.484 1.771 0 40 IDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1COc2ccccc2O1 25984881 NQYCJEFLTDMPEW-LIRRHRJNSA-N 429.498 1.706 0 40 IDAB COC(=O)/C=C/c1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1OC 30952751 LMGNKUYPAFGZGU-VMPITWQZSA-N 434.470 1.621 0 40 IDAB O=C(NCCCn1ccnc1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36355038 ZDPYBEDRXAIDAE-KRWDZBQOSA-N 445.545 1.227 0 40 IDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N1CCN(Cc3ccccc3)CC1)O2 38850822 BZXOOEYBPVCFNU-NRFANRHFSA-N 429.542 1.866 0 40 IDAB O=C(Cn1cnc(-c2cccs2)cc1=O)NCCOc1cc(N2CCCCC2)ncn1 49028351 GOJVYTPARKJNHJ-UHFFFAOYSA-N 440.529 1.947 0 40 IDAB CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 72260188 YZQDCMXJYBBCRU-UHFFFAOYSA-N 428.468 1.059 0 40 IDAB CCOC(=O)c1c(NC(=O)CN2CCN(Cc3ncc[nH]3)CC2)sc(C(=O)NC)c1C 72284581 JGUQTAHOLXIMSO-UHFFFAOYSA-N 448.549 1.072 0 40 IDAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccn(CC(=O)N3CCN(C)CC3)n2)C(C)C)cc1 95399036 WXTYTYYIBBOMRT-NRFANRHFSA-N 440.548 1.359 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)CC1 220229279 STBDUICGJAYLCK-CQSZACIVSA-N 443.522 1.159 0 40 IDAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)s1 223269513 PDMIAIOBJPYNMQ-UHFFFAOYSA-N 442.544 1.903 0 40 IDAB COc1ccc(OCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 224190214 KGEPBXSASNQDED-UHFFFAOYSA-N 425.482 1.642 0 40 IDAB COc1cccc(OCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1 224342099 SYNWWSRTBNMEJA-UHFFFAOYSA-N 425.482 1.642 0 40 IDAB Cn1c(=O)sc2cc(NC(=O)CN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)ccc21 225037990 FEOMMFPRHLMJHR-UHFFFAOYSA-N 449.510 1.776 0 40 IDAB CS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)nc2C1 247503328 GELJSTNBFHRIHU-VUNQQRPYSA-N 444.557 1.766 0 40 IDAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3ccc4[nH]c(C(C)C)nc4c3)CC[C@@H]2O)CC1 257208886 BNXODQQUEPJTBL-SFTDATJTSA-N 427.549 1.816 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)CC1 408610774 VUZGOEVOZFVSDO-OAHLLOKOSA-N 427.523 1.441 0 40 IDAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408655495 DEPSJSPMUBSHSX-AFHBHXEDSA-N 427.457 1.548 0 40 IDAB O=C(Cc1ccccc1)N1CC[C@@H](O)[C@](O)(CN2CCN(Cc3ccc(F)cc3)CC2)C1 585283658 BKAZIDODODPOOE-NOZRDPDXSA-N 441.547 1.510 0 40 IDAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1OC 2146153 FCWVLBUYYYNUQR-UHFFFAOYSA-N 448.530 1.950 0 40 IDAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(-c3nnc4n3CCCCC4)cc1)c(=O)n2C 8862086 LBFBHEKUPPRDFL-UHFFFAOYSA-N 448.487 1.057 0 40 IDAB CCOC(=O)c1cnc(SCC(=O)OCCN2C(=O)c3ccccc3C2=O)nc1N 9635414 OAGOLGQNNMVVEU-UHFFFAOYSA-N 430.442 1.167 0 40 IDAB CCOC(=O)c1c(NC(=O)COC(=O)[C@H]2Cc3ccccc3O2)sc(C(N)=O)c1C 10617941 SREYKRCHXOGKNA-CYBMUJFWSA-N 432.454 1.818 0 40 IDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)C1 11905991 MYUUTELWWMNNNC-CQSZACIVSA-N 444.531 1.025 0 40 IDAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2Cl)CC(=O)N3)CC1 12389215 WXZXYHFZILVMKG-LLVKDONJSA-N 444.879 1.190 0 40 IDAB C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 12911351 NCOBCQVAZGCONL-CRAIPNDOSA-N 449.529 1.577 0 40 IDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 13495706 LFYITDURLBJZSW-UHFFFAOYSA-N 434.426 1.274 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 15164501 SAKFWHBEISFNLE-UHFFFAOYSA-N 442.501 1.350 0 40 IDAB O=C1S/C(=C2/C(=O)N(CN3CCOCC3)c3ccccc32)C(=O)N1CN1CCOCC1 16941087 SWZLWOBEWONNOD-ISLYRVAYSA-N 444.513 1.019 0 40 IDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 19173699 UVJBLYRBZRBUGC-UHFFFAOYSA-N 439.559 1.725 0 40 IDAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 19573713 BGXKXFPOEOAKPV-QGZVFWFLSA-N 434.562 1.779 0 40 IDAB Cc1ccc(=O)n(CC(=O)N2CCO[C@@]3(CC=CCN(CCc4ccccc4)C3=O)C2)n1 19704489 DYRORCMBSPCHCD-DEOSSOPVSA-N 436.512 1.181 0 40 IDAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCCN3CCOCC3)cc2c1 19824432 AEIPWHFPOFNZJE-UHFFFAOYSA-N 448.589 1.318 0 40 IDAB COc1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3CCC(C(N)=O)CC3)C2)cc1 20463146 JPLQGAWREHYNEE-OALUTQOASA-N 431.533 1.836 0 40 IDAB biogenic,in-vitro Cn1cc(CN2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)cn1 20528480 AVPWDKGGZXBPCL-SFHVURJKSA-N 449.552 1.304 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3cc(=O)n4ccsc4n3)CC1)C2=O 22796770 STWAZPKXIFKVEL-QVKFZJNVSA-N 444.561 1.332 0 40 IDAB Cc1cccc(NC(=O)CN2CCN(Cn3nnn(-c4cccs4)c3=O)CC2)c1C 22919712 ZLEYIQDYSCRJFE-UHFFFAOYSA-N 427.534 1.321 0 40 IDAB O=C(CCSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)NC(=O)NCc1ccccc1 23007314 ZUQBTHPXHWSTPG-CQSZACIVSA-N 438.531 1.555 0 40 IDAB O=S(=O)(NCCCOC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 24345716 QTQFZYQBCDDLMS-INIZCTEOSA-N 432.564 1.335 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 25802084 OVFCBCQOBIXZRU-QAPCUYQASA-N 445.607 1.708 0 40 IDAB COc1ccc(CC(=O)Nc2nc(C)c(C)s2)cc1S(=O)(=O)N1CCOCC1 32983764 RPZWCIWAIKBCMC-UHFFFAOYSA-N 425.532 1.971 0 40 IDAB O=C(CN1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1)Nc1cccc(F)c1 36385061 JREPXWNSSHFFTR-UHFFFAOYSA-N 442.447 1.067 0 40 IDAB COc1ccc(CCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1OC 38849006 YTJNIUUJQBIWOV-FQEVSTJZSA-N 434.514 1.898 0 40 IDAB CCN1CCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cn2)CC1 40121470 MXOQNFIGKWZCCD-UHFFFAOYSA-N 443.573 1.594 0 40 IDAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)o1 40142133 VBOYQRMNEXRCEN-VXGBXAGGSA-N 437.440 1.580 0 40 IDAB CCCN(C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)[C@@H]1CCS(=O)(=O)C1 49643439 VNISTAFPFJQAFP-CRAIPNDOSA-N 446.529 1.057 0 40 IDAB O=C(CCC(=O)N1CCOCC1)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1 57985052 XOEYPQAYXXHIQT-UHFFFAOYSA-N 427.457 1.645 0 40 IDAB CS(=O)(=O)c1snnc1C1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 72392494 NTSXGJAMCQUSOH-UHFFFAOYSA-N 447.542 1.448 0 40 IDAB COc1cccc(-n2nnc(C(=O)Nc3cc(C(=O)O)cc(S(C)(=O)=O)c3)c2C)c1 95425591 BBGGACCQKNJCEI-UHFFFAOYSA-N 430.442 1.938 0 40 IDAB O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95474113 NKUGXECALUMJCJ-ZDUSSCGKSA-N 430.461 1.645 0 40 IDAB CCOC(=O)N1CCN(C(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)CC1 220041534 UNLDZXULDXVCPH-UHFFFAOYSA-N 437.440 1.772 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC(N)=O)cc2)cc1Cl 226047523 CEWLWNFHJGAELY-UHFFFAOYSA-N 425.894 1.636 0 40 IDAB CCOC(=O)[C@H]1NN=C(C(=O)[C@@](C)(O)CBr)[C@H]1c1ccc([N+](=O)[O-])cc1 229940552 QMMFHUORWJAFJZ-FFSVYQOJSA-N 428.239 1.284 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(Oc2ccncc2)CC1 245174002 YFWKALYTDWWRIG-UHFFFAOYSA-N 431.514 1.786 0 40 IDAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 257198849 JZMHEXPQRVKICL-GVDBMIGSSA-N 435.480 1.618 0 40 IDAB CNc1cc(N2CCC[C@](O)(CNCc3cccc(CN4CCOCC4)c3)C2)ncn1 257281264 OOIZHYUQGVXRAF-QHCPKHFHSA-N 426.565 1.472 0 40 IDAB CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCCN(C)C)cc3)C2)ncn1 257315024 UZOVGXOESPNXDO-QHCPKHFHSA-N 442.564 1.562 0 40 IDAB CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)CN(C(=O)Cc3ccco3)CC2)C1 306140500 UVDANFWHVDODJR-QHCPKHFHSA-N 439.516 1.429 0 40 IDAB COC(=O)COc1ccccc1/C=C1\SC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O 409212383 QWZKWUOXNXXDDQ-SLVCOGOPSA-N 434.470 1.570 0 40 IDAB Cc1ccccc1NC(=O)[C@H](C)NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 504294994 SOJAAJNZOAFWND-KUMVCOKESA-N 434.489 1.835 0 40 IDAB biogenic CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 557419842 HFDFFNISVLZFTP-HNNXBMFYSA-N 426.498 1.503 0 40 IDAB CN1CCc2c(CNC(=O)c3cncc(Br)c3)c3c(c(O)c2C1=O)OCO3 604405231 OCVSSTGMCUGPOT-UHFFFAOYSA-N 434.246 1.837 0 40 IDAB biogenic CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 1668572511 NNHPFTFAPGRBSY-IBGZPJMESA-N 431.514 1.284 0 40 IDAB CCCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C 930435 SYYRIFLXGHBECI-CYBMUJFWSA-N 427.530 1.914 0 40 IDAB CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 2651254 DSCDPKNKJPYSPB-UHFFFAOYSA-N 433.486 1.398 0 40 IDAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 3250861 IOCAWSRAULGNCO-CQSZACIVSA-N 433.486 1.802 0 40 IDAB CCOC(=O)N1CCN2c3cc(Cl)ccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 8773673 OQURATWSWSOLSI-OAHLLOKOSA-N 434.880 1.580 0 40 IDAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)Cc4ccccc4)CC3)C2=O)cc1 9189866 RKMBMOXEBJUBMN-HXUWFJFHSA-N 435.480 1.492 0 40 IDAB Cc1ccc(Nc2nc(N)nc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)n2)cc1 9376581 HFVLJHFVOJPAPY-UHFFFAOYSA-N 441.517 1.500 0 40 IDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN(c2ccccn2)CC1 9446872 KQPBHEVGGXRURJ-INIZCTEOSA-N 446.529 1.259 0 40 IDAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 9466933 OEHOPHNJQFJONC-WBMJQRKESA-N 445.588 1.576 0 40 IDAB COC(=O)C1CCN(C(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)CC1 9519385 PIDYKGUMUGLLJL-UHFFFAOYSA-N 441.484 1.094 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1COc2ccccc2O1 9632616 ALYOKPHWKCUILY-INIZCTEOSA-N 432.498 1.586 0 40 IDAB O=C(Cn1ccn(-c2ccc3c(c2)OCCO3)c(=O)c1=O)NCc1ccccc1Cl 9808656 WRBQDIOJHUYFNU-UHFFFAOYSA-N 427.844 1.740 0 40 IDAB O=C(O)C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O 11635149 QHMULILFQFNFLV-SSDOTTSWSA-N 431.058 1.418 0 40 IDAB COc1cccc([C@@H]2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)N(C)S(=O)(=O)N2)c1 12159550 WMZSXJKFJKPZAU-DLBZAZTESA-N 433.486 1.320 0 40 IDAB COCCN1C[C@H](C(=O)N2CC(=O)N(c3ccc(OC)cc3)C3(CCCC3)C2)CC1=O 12191412 ZPHNCFHJQBFLPK-QGZVFWFLSA-N 429.517 1.678 0 40 IDAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2)C1 12289090 IJFOBQWRHHJLIO-DZGCQCFKSA-N 447.923 1.753 0 40 IDAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)N[C@@H]1CCS(=O)(=O)C1 12324083 PQIWYKZAUVSKRW-LLVKDONJSA-N 449.963 1.443 0 40 IDAB CCC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 12922366 POJBAUWWLJLABF-LBPRGKRZSA-N 432.340 1.197 0 40 IDAB CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)O 12946026 MCFFHLINMWUGDL-KRWDZBQOSA-N 426.491 1.084 0 40 IDAB Cn1c(CCNC(=O)[C@H]2COc3ccccc3O2)nc2cc(NS(C)(=O)=O)ccc21 13691308 CAWCRBGPNAUEGN-GOSISDBHSA-N 430.486 1.444 0 40 IDAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCCCN(C)C)C(=O)[C@@H]1C2 13691953 JLADMFSCNPYYFB-KRWDZBQOSA-N 432.521 1.241 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(C)cc(C)c2)n(C)c1=O 13776697 RYOURFHFWKVPNV-HNNXBMFYSA-N 425.489 1.864 0 40 IDAB Cn1nc2c(c1C(=O)N[C@@H]1CCc3ccc(S(=O)(=O)N4CCOCC4)cc31)CCCC2 19749501 YAGOIMBQMYYGNU-LJQANCHMSA-N 444.557 1.737 0 40 IDAB CN1CCN(C(=O)c2cc([C@H]3CCN(C(=O)CN4CCCC4=O)C3)nc3ccccc23)CC1 19761209 XSNYIXVQFSILPB-SFHVURJKSA-N 449.555 1.561 0 40 IDAB COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 20454108 SYXWAYHJGZBDHY-UHFFFAOYSA-N 434.514 1.997 0 40 IDAB CCCCNC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 21874492 OVBGCPRNQMRJAC-SFHVURJKSA-N 425.551 1.378 0 40 IDAB COc1ccc(N([C@@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1Cl 22934917 YSRZUINKKYPTMH-HNNXBMFYSA-N 447.001 1.257 0 40 IDAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23701870 YVDPVLSKRMMAKO-WOMSROEHSA-N 440.949 1.846 0 40 IDAB COc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1S(=O)(=O)N1CCOCC1 23873374 YXIJQBQWLDUYBA-UHFFFAOYSA-N 446.529 1.964 0 40 IDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)NCC(F)(F)F 25703212 DLBCJDOVUHONOJ-UHFFFAOYSA-N 436.383 1.102 0 40 IDAB O=C(c1ccc(F)cc1-n1cnnn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 32072590 AUFVMXJAAAMVNB-UHFFFAOYSA-N 434.428 1.087 0 40 IDAB C[C@H](OC(=O)CCn1ncc(=O)c2ccccc21)C(=O)c1ccc(NS(C)(=O)=O)cc1 32829240 NGVSYUDNDYKGLV-AWEZNQCLSA-N 443.481 1.973 0 40 IDAB COc1ccc(OC)c(CN2CCN(C(=O)C3=NN(c4ccccc4)C(=O)CN3)CC2)c1 32983008 XQOOYKMYODMTPN-UHFFFAOYSA-N 437.500 1.298 0 40 IDAB C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O 40127973 GWZGVTBJDRKCGM-HXUWFJFHSA-N 425.470 1.638 0 40 IDAB NC(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc4c(c3)CCC4)CC2)o1 40154129 NVTGWROLYWQCRD-UHFFFAOYSA-N 446.529 1.202 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)OC)c1 57615381 ZRJYNFFHKSEWFQ-QGZVFWFLSA-N 441.550 1.151 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)C(C)C)c1 72272931 XQWKUYPBRVWAEF-UWJYYQICSA-N 434.581 1.458 0 40 IDAB Cc1nc2cc(C(=O)NC[C@H](C(C)C)N3CCOCC3)ccc2n1[C@H]1CCS(=O)(=O)C1 78902867 WLQBYYVOYMPEQB-GHTZIAJQSA-N 448.589 1.791 0 40 IDAB O=C(NCC(=O)N1CCC[C@H](C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1)c1ccccc1 95474257 HGUOPZQUHFUFBC-DCLXLUIPSA-N 427.545 1.809 0 40 IDAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)Cc1ccccc1F 225854301 HHGMGSKWDABBLE-UHFFFAOYSA-N 449.504 1.698 0 40 IDAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCN2CCOCC2)c1 408709541 DAXMUFPVEXWWKS-UHFFFAOYSA-N 440.500 1.012 0 40 IDAB Cc1c(C(=O)NC[C@@H]2CCN(C)C2)sc2ncc(C(=O)NC[C@H]3CCN(C)C3)cc12 522832415 KIFVFILRRPAQJH-CVEARBPZSA-N 429.590 1.968 0 40 IDAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCN1CCOCC1 524729209 IYLKNNPSHUHDLT-QFIPXVFZSA-N 434.496 1.640 0 40 IDAB biogenic CC1CC(C(=O)N2CCN3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@H]3C2)C1 585109940 PTPXEAZQJTUCMO-JFUPDXTOSA-N 426.496 1.592 0 40 IDAB O=S(=O)(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1c(F)cccc1F 585147749 XJLMYODSACTHBZ-UHFFFAOYSA-N 429.470 1.977 0 40 IDAB O=C1CN(C(=O)c2cccc(NC(=O)c3cc(-c4ccc5c(c4)CCO5)[nH]n3)c2)CCN1 1565524258 CQCBPJXMDKCXFP-UHFFFAOYSA-N 431.452 1.836 0 40 IDAB CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O 1636010083 ULRWFLPOCKJCFV-JKSUJKDBSA-N 426.945 1.698 0 40 IDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5cncc(Br)c5)C[C@H]4C3)ncnc21 1888910350 KDVGLIDBASYKJI-BETUJISGSA-N 428.294 1.729 0 40 IDAB O=C(COc1ncnc2ccc(Br)cc12)NCCN1C(=O)CSC1=O 2657224 SCRMDRSTEGVIEY-UHFFFAOYSA-N 425.264 1.583 0 40 IDAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 3337800 VKQRBICMPSTLGX-UHFFFAOYSA-N 432.820 1.323 0 40 IDAB CCS(=O)(=O)Nc1ccc2c(c1)c(C(=O)OCCOC)c(C)n2S(=O)(=O)CC 6142902 HCIKMIGRFZISMW-UHFFFAOYSA-N 432.520 1.712 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 9068051 TYAFFARJUFWYPD-QGZVFWFLSA-N 443.481 1.713 0 40 IDAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C(=O)N1CCCC1 9191847 IAYOJNLDOZDJMP-UHFFFAOYSA-N 444.513 1.922 0 40 IDAB CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)c1 9348972 DEZQCIUUORZZIV-UHFFFAOYSA-N 435.458 1.051 0 40 IDAB Cc1cccc(-n2nnnc2SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 9492239 TWBUTBDFMKZHCZ-FQEVSTJZSA-N 437.485 1.561 0 40 IDAB CCOC(=O)C1=C(CSCC(=O)OCC(=O)Nc2ccc(F)cc2)NC(=O)N[C@@H]1C 13149360 XWVSKXVDZGXUHG-LLVKDONJSA-N 439.465 1.559 0 40 IDAB COc1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1 15881633 WWCUWBZADOWVQC-UHFFFAOYSA-N 447.557 1.749 0 40 IDAB O=C(CNC(=O)c1ccc(Br)o1)N[C@@H](CN1CCOCC1)c1ccccc1 16830539 YVQVPLRNYVNSGX-HNNXBMFYSA-N 436.306 1.962 0 40 IDAB O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C2CCCC2)CC1 19292031 YAGQAUIBQFIUHU-LJQANCHMSA-N 427.593 1.846 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)nc2n(C)c1=O 19744822 JMTAQDBMLCTVEX-AWEZNQCLSA-N 440.422 1.536 0 40 IDAB COc1ccc(C(=O)N2CC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc1N1CCOCC1 19758129 ABIBCRXVTXZFJJ-INIZCTEOSA-N 425.489 1.359 0 40 IDAB COc1cccc([C@H]2N=C3NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)c1 19960446 VQWQSFMXQBFVPD-QFIPXVFZSA-N 447.543 1.920 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1OC 20005224 KZALSKQZWDPAPS-IEBWSBKVSA-N 448.541 1.889 0 40 IDAB COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 22278440 GWMBWPYCICHIGA-UHFFFAOYSA-N 447.513 1.708 0 40 IDAB CCCCn1c(=O)n(CC(=O)Nc2ccccc2OC)c(=O)c2c1ncn2CCOC 32957972 JJCBRMOXMYZSGS-UHFFFAOYSA-N 429.477 1.454 0 40 IDAB CCn1c(=O)c2sccc2n2c(CCC(=O)N3CCN(c4ncccn4)CC3)nnc12 35528466 NHFBXMAHZOYDOC-UHFFFAOYSA-N 438.517 1.197 0 40 IDAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 38946943 YMNQXSDHDGVFSY-VQTJNVASSA-N 435.455 1.896 0 40 IDAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(Cc3cc(C)no3)CC2)C(C)C)cc1 40013319 NHGZPTVNQKKCDP-HXUWFJFHSA-N 434.562 1.939 0 40 IDAB O=C1N[C@]2(COc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)N1CCC(O)CC1 72334431 IZLGAWAKCWKOTP-OFVILXPXSA-N 435.524 1.663 0 40 IDAB O=C(Cn1ccc(=O)[nH]c1=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 72393442 DGYXGWQGBBQSTH-UHFFFAOYSA-N 428.508 1.768 0 40 IDAB CC(C)COc1cccc(OCC(=O)NS(=O)(=O)c2cccc(-n3cnnn3)c2)c1 89856407 MUDLIYDRIGCSER-UHFFFAOYSA-N 431.474 1.581 0 40 IDAB CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)Cc3ccccc3)CC2)O1 96243658 UQSMJWQMMXYZBR-GOSISDBHSA-N 432.546 1.628 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 223577057 PXQYQYQXPVQHOG-UHFFFAOYSA-N 430.486 1.991 0 40 IDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224327085 ZVKVCXFVQDHKIM-UHFFFAOYSA-N 425.461 1.102 0 40 IDAB COC(=O)[C@]1(C)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 245230609 VFOVZBMOVLHSID-PABYOWBDSA-N 438.436 1.545 0 40 IDAB CC(=O)OC[C@@H]1O[C@H](n2ccc3ccccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 245377421 LCOUBIHGTOPVKV-ITBHCLRTSA-N 447.440 1.897 0 40 IDAB Cc1cc(Nc2cc([C@H]3CCCN3C(=O)C3CCN(S(C)(=O)=O)CC3)nc(C)n2)[nH]n1 257340445 ZGDVUGUAQXYKRY-QGZVFWFLSA-N 447.565 1.895 0 40 IDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@](O)(c2ccoc2)c2ccco2)cc1 390826820 QBGVLVUGWFNMHJ-FQEVSTJZSA-N 430.438 1.740 0 40 IDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4c4ccccc4)C3)C2)[nH]n1 540328606 OAMHDZAKUHAMIU-VIPLHTEESA-N 436.516 1.555 0 40 IDAB O=C(C1CN(c2cc(-n3cncn3)ncn2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 575607358 BSOZRJNXZUTQQF-UHFFFAOYSA-N 442.886 1.635 0 40 IDAB Cc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)ccc1S(N)(=O)=O 677621146 IEBLAYJBQTUKQQ-MRXNPFEDSA-N 441.431 1.975 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)NCC3(N4CCSCC4)CCOCC3)cc21 1888881971 CBKCTRYDMORCCB-UHFFFAOYSA-N 427.548 1.008 0 40 IDAB CCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2c1c(=O)n(C)c(=O)n2C 880914 ZTVAKCDFSMLSDC-UHFFFAOYSA-N 445.501 1.361 0 40 IDAB O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(c2ncccn2)CC1 2966832 ROIBGKZTYPMROQ-MRXNPFEDSA-N 435.513 1.273 0 40 IDAB COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)CCC(=O)O)CO[C@H]34)n2)cc1 5433656 AFLXCTQJGFYXGK-XAMWDVODSA-N 428.445 1.080 0 40 IDAB biogenic,in-vitro COc1cc(/C=C/c2ccc(OC)c(OC)c2)cc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1 5811542 KHKHFCBOAIPKGG-COKMPOBYSA-N 448.468 1.062 0 40 IDAB CCOC(=O)c1ccccc1NC(=O)CSc1c(C)cnc2c1c(=O)n(C)c(=O)n2C 8601855 OOHNACQUNJXTPM-UHFFFAOYSA-N 442.497 1.848 0 40 IDAB COc1ccc(-n2c(C)c(C)n3c4c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c4nc23)c(OC)c1 8708916 DJUFUAXJZXCHGC-ZDUSSCGKSA-N 439.472 1.923 0 40 IDAB CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)n2N)cc1 9508843 WSSKYPAJTFYVAM-UHFFFAOYSA-N 448.530 1.436 0 40 IDAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc(C(=O)OC)cc1)c(=O)n2C 9571750 KJAXNCHAVQFOHZ-UHFFFAOYSA-N 440.456 1.482 0 40 IDAB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 10072930 AUXKVMQUSCOAJX-OAHLLOKOSA-N 436.468 1.873 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@H](O)[C@@H]4CCCC[C@H]43)CC2)Oc2ccccc21 12085748 FITYWQWDWQCQAH-SYSFZUQMSA-N 441.528 1.670 0 40 IDAB C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cnccn4)CC3)n2)C1 12133520 CMFOUKCLDSHJIK-OAHLLOKOSA-N 444.561 1.926 0 40 IDAB Cn1cnc2c1c(=O)n(CCCSc1nnc(COc3ccc(F)cc3)o1)c(=O)n2C 12581082 KWPOYXFOFDQDLW-UHFFFAOYSA-N 446.464 1.717 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5ccncc5)C(=O)[C@H]24)O3)cc1OC 15894291 PXEJCMCVHDBDIB-TVPUMLRDSA-N 449.507 1.740 0 40 IDAB biogenic NS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 17155203 VQDJMEZBOLKXGO-UHFFFAOYSA-N 430.467 1.849 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(C(=O)c4ccccc4F)C3)[nH]c(=O)c2C1 19572703 IVJDNSQCIFFJCL-CYBMUJFWSA-N 434.493 1.247 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCN(C(=O)CCc4ccccc4)C3)[nH]c(=O)c2C1 19572783 IVOVROMOMLHXNM-INIZCTEOSA-N 430.530 1.036 0 40 IDAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)no1 19635824 MVODOTJQSUVAEU-HNNXBMFYSA-N 442.472 1.956 0 40 IDAB COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCOCC3)c(=O)[nH]c2c1 19940418 ZJAZJENZXBKVMH-QFBILLFUSA-N 426.477 1.124 0 40 IDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1nc(N)nc(Nc3ccccc3)n1)C2=O 20067423 INWUYZYDBFASQN-ZSEKCTLFSA-N 439.476 1.741 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCC2=CCCCC2)cc1 20862117 CNQXVRCTAZGHER-UHFFFAOYSA-N 437.518 1.473 0 40 IDAB Cn1c(NCCCN2CCOCC2)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C 23115183 QHZNGKLOAGFNNH-UHFFFAOYSA-N 446.939 1.270 0 40 IDAB C[C@@H](Sc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 23368602 DLWFUDSPOOLQSI-OCCSQVGLSA-N 447.517 1.723 0 40 IDAB Cc1ccc(C(=O)NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 23747244 DRVGODSXRWEXDT-UHFFFAOYSA-N 437.543 1.124 0 40 IDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cc2csc(N3CCCC3=O)n2)C1=O 23948779 LXGOURUXYLCEQG-OAQYLSRUSA-N 441.513 1.787 0 40 IDAB Cn1ncc2c(N3CCN(c4ccc(S(=O)(=O)C(F)(F)F)cc4)CC3)ncnc21 32829284 LUICSUCRDOKYGI-UHFFFAOYSA-N 426.424 1.983 0 40 IDAB COc1ccc2c(c1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)C[C@@]1(CCCN(C)CC1)O2 72394492 LSXQDBKTSFAPEQ-VGSWGCGISA-N 430.505 1.259 0 40 IDAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(-n2nnn(CC(=O)NC3CC3)c2=O)cc1 77100225 JJRNCJYARPBYCY-WTDSWWLTSA-N 448.439 1.088 0 40 IDAB Cc1cc(NC(=O)C2CCN(C(=O)CN3C(=O)NC4(C[C@H](C)C[C@@H](C)C4)C3=O)CC2)no1 89605162 DZIHSNZLTUTLRI-ZIAGYGMSSA-N 445.520 1.907 0 40 IDAB Cn1cnc(-c2ccc(NS(=O)(=O)c3ccccc3C(=O)N3CCOCC3)cc2)n1 96011284 QROUVTJCOUIMMR-UHFFFAOYSA-N 427.486 1.755 0 40 IDAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)c2cccc(C)n2)CC3)C1=O 96036601 JUWPBZPMAOJZLL-HSZRJFAPSA-N 427.549 1.848 0 40 IDAB O=C(c1ccoc1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 96100665 HBSWMVZXRYIUCD-AVRDEDQJSA-N 425.489 1.287 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222858301 TYZACBUQPUGYNW-MRXNPFEDSA-N 435.521 1.751 0 40 IDAB COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1NC(=O)c1ccccc1 408598387 ZROCSEOKOCIBAT-UHFFFAOYSA-N 433.530 1.948 0 40 IDAB CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O 1136085595 KYGPMHVXQSSDMD-INIZCTEOSA-N 444.488 1.558 0 40 IDAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)c4cn(C)c5ccccc45)C[C@@H]23)n1 1549162368 PKBISDXWXVNHOI-LJQANCHMSA-N 432.484 1.812 0 40 IDAB Cc1cc(N2C[C@H]3CN(S(=O)(=O)c4ccc(N5C(=O)CCC5=O)cc4)C[C@@H]3C2)ncn1 1775976081 VICKEPMHXUJAAS-HOTGVXAUSA-N 441.513 1.195 0 40 IDAB Cn1c(=O)oc2ccc(S(=O)(=O)NC3CN(c4cc(C(F)(F)F)ccn4)C3)cc21 1888913374 CDXBVBLNLDDPAD-UHFFFAOYSA-N 428.392 1.712 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3nc(O)c(F)c(C4CC4)n3)CC2)cc1 1888917907 KFTKIYYJCZBHJC-UHFFFAOYSA-N 449.508 1.411 0 40 IDAB CCCCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@@]12C(=O)Nc1ccccc12 2234384 ZOQMJQPAPPSBKL-JOCHJYFZSA-N 444.440 1.411 0 40 IDAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccn2)CC1 3230388 RCOFLJFUPBVYDY-RMKNXTFCSA-N 442.541 1.465 0 40 IDAB Cc1nc(N)nc(O)c1CCCNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 8626527 NBUXEXTYPLVFND-HNNXBMFYSA-N 431.449 1.165 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccccc1OC 8990459 OREUEFQZCPQKON-MSOLQXFVSA-N 438.488 1.014 0 40 IDAB CCn1cc(C(=O)NCCC(=O)NCCCn2ccnc2)c(=O)c2cc3c(cc21)OCO3 9060181 WVHSKNLLVHGZFD-UHFFFAOYSA-N 439.472 1.273 0 40 IDAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NC[C@H]1COc2ccccc2O1 9494314 NJMOKXWIYSPMRE-INIZCTEOSA-N 435.415 1.678 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC2CCCCCC2)cc1 9576391 LDHNECROQLGRHX-IBGZPJMESA-N 437.562 1.687 0 40 IDAB CCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 9579971 OWGZKGAGMQPIRN-IIBYNOLFSA-N 433.530 1.196 0 40 IDAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)NCc1ccc2c(c1)OCO2 9672691 FYFWLKADQSSMKN-OAQYLSRUSA-N 439.468 1.158 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCN1CCCCCC1 10111302 CYYGFROAELSLJG-UHFFFAOYSA-N 439.578 1.712 0 40 IDAB O=C(CN1CCOCCN(CC(=O)Nc2ccccc2)CCOCC1)Nc1ccccc1 13475863 JVPKDLHEUUYQDC-UHFFFAOYSA-N 440.544 1.915 0 40 IDAB Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)NC(=O)N(C)C1=O 17027413 CSZIBGKKHPBELW-MZNJEOGPSA-N 443.463 1.357 0 40 IDAB O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCc2nc(-c3ccccn3)[nH]c(=O)c2CC1 19403134 YJYZDLJAJSRQLX-MRXNPFEDSA-N 435.528 1.940 0 40 IDAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3CCCC[C@H]3C)CC1)O2 19496285 YSCUQFWZJLKYKM-WAIKUNEKSA-N 429.517 1.970 0 40 IDAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(S(C)(=O)=O)CC2 19568740 MNMBSQDKAHQFNT-QGZVFWFLSA-N 446.529 1.464 0 40 IDAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(F)c3F)[nH]c(=O)c2C1 19592909 XXIKLNGFHAKFQH-KRWDZBQOSA-N 446.454 1.947 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCc3ccccc3)C1)C2=O 19699615 OBXSUTALLZCFOL-IBGZPJMESA-N 440.544 1.933 0 40 IDAB CCOc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 22229173 WCRIASIALILCEL-UHFFFAOYSA-N 447.513 1.361 0 40 IDAB COc1ccc(C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)cc1S(=O)(=O)N1CCCC1 22612101 SNABEILNLANWIQ-HZPDHXFCSA-N 425.551 1.319 0 40 IDAB O=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 23846573 GMXMFVGZWWJCBB-UHFFFAOYSA-N 433.486 1.278 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 31807711 VZLUUXZWYQKDLD-CQSZACIVSA-N 426.539 1.001 0 40 IDAB C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 32091729 LGYCCHKDXTXMJL-GXTWGEPZSA-N 432.527 1.509 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)NCCC(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 32094208 VBJNEYYIDMBRNG-AWEZNQCLSA-N 425.441 1.922 0 40 IDAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 33939867 BSGYUIALRLVCSU-JFHULYJISA-N 437.540 1.921 0 40 IDAB CCOC(=O)[C@@H](CNS(=O)(=O)c1cc(NC(C)=O)ccc1OC)Cc1cccnc1 58154186 VMXBRJRFYBRVNS-MRXNPFEDSA-N 435.502 1.749 0 40 IDAB COc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1OC 72395197 WSCAPKDDWUEKAN-MRXNPFEDSA-N 428.489 1.182 0 40 IDAB O=C(Cn1nnn(-c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)c1=O)NC1CC1 77100234 OCWIMGFMWGGWMM-UHFFFAOYSA-N 446.423 1.066 0 40 IDAB O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 95466917 LJILTTRWMGXGNF-CQSZACIVSA-N 435.424 1.835 0 40 IDAB O=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 96099010 HHKFCOBRELGCES-UHFFFAOYSA-N 432.424 1.353 0 40 IDAB COCCC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CCOC)C2 96145172 BTZWSCLTJJHLLP-UHFFFAOYSA-N 426.535 1.361 0 40 IDAB O=C(O)CCOCCOCCOCCOCCNC(=O)OCC1[C@H]2CCC#CCC[C@H]12 96299616 MOPSTLKSTPBGBX-OALUTQOASA-N 441.521 1.693 0 40 IDAB in-vitro O=C(NCc1nc(-c2cccs2)no1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 219972961 FCGFBHWTALRNDV-UHFFFAOYSA-N 448.526 1.890 0 40 IDAB CN1CCO[C@@](Cc2ccccc2)(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C(N)=O)C1 257328204 XEPIHPWCMGZVPW-WIOPSUGQSA-N 436.556 1.128 0 40 IDAB Cn1nccc1C(=O)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 306124806 CAASOFGIAMKYCM-MSOLQXFVSA-N 439.497 1.292 0 40 IDAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCCN2CCOCC2)c1 408709649 DFTRQFWLUBGOMI-UHFFFAOYSA-N 438.528 1.702 0 40 IDAB NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1 547383402 GWQQPPOMFOMZSN-SFHVURJKSA-N 428.562 1.666 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccc(OC)c(F)c5)C[C@@H]4C3)ncnc21 1888941910 XYGQRTRSAAPPCN-KBPBESRZSA-N 446.508 1.751 0 40 IDAB Cc1c(Cl)c(S(N)(=O)=O)cc(S(N)(=O)=O)c1NC(=O)c1ccc(Cl)cc1 1628092 WPSGQNFKDREQNP-UHFFFAOYSA-N 438.314 1.849 0 40 IDAB in-vitro CCNS(=O)(=O)c1ccc(OCCOc2ccc(S(=O)(=O)NCC)cc2)cc1 1664665 UCXJSLCDURTRIZ-UHFFFAOYSA-N 428.532 1.741 0 40 IDAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 3466694 KDHVGRHVWHTZCI-UHFFFAOYSA-N 435.436 1.245 0 40 IDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)C2=O 8719114 PBMVBAKXPIPTPG-VFNWGFHPSA-N 448.545 1.910 0 40 IDAB Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)sc2nc3n(c(=O)c12)CCC3 8762688 BUSAUWVAKCHSQT-NSHDSACASA-N 440.481 1.996 0 40 IDAB O=C(COc1cccc(-n2cnnn2)c1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9366560 AJYQCMGBMJQMGL-SFHVURJKSA-N 427.486 1.257 0 40 IDAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O 9498752 OKJUAZJJFRABKT-SFHVURJKSA-N 442.925 1.880 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)Nc3cccnc3)CC2)cc1 13726742 DTTVLPKEICPGAZ-UHFFFAOYSA-N 432.502 1.246 0 40 IDAB O=C1CN(C(=O)CSc2nnnn2-c2cccc(Cl)c2)C2(CCCCC2)C(=O)N1 14253298 YERVBUFRNRWLIN-UHFFFAOYSA-N 434.909 1.596 0 40 IDAB Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)n1 15032797 GILZJIPWODULFU-MRXNPFEDSA-N 446.577 1.705 0 40 IDAB CC(=O)N1CCC(C(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(O)n3)CC2)CC1 19016720 KUGNHOWAOTXUNS-UHFFFAOYSA-N 426.521 1.761 0 40 IDAB CCc1cc(C(=O)N2C[C@H](C(=O)N(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)on1 19522755 AWGNAZORLFMAES-IRXDYDNUSA-N 426.521 1.961 0 40 IDAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 19710301 JLLHGQAXKHPXPA-MRXNPFEDSA-N 429.546 1.991 0 40 IDAB Cc1nc(CC(=O)N2CCC(c3ncc(C(=O)N4CCOCC4)c(C)n3)CC2)cs1 19752010 FAZIHXWDSVQIOP-UHFFFAOYSA-N 429.546 1.971 0 40 IDAB O=C(NCCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19861127 GYSCRJZJWHGPEZ-KRWDZBQOSA-N 429.970 1.330 0 40 IDAB CC[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1nnc2ccccc2c1=O 20547390 HRWXZOIZRWVOIU-IBGZPJMESA-N 435.484 1.816 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCN1CCOCC1 27772807 ZIKBZECNLXRACM-UHFFFAOYSA-N 425.551 1.322 0 40 IDAB C[C@@H](NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 30379398 NUOPXWXEASTQSR-CYBMUJFWSA-N 444.506 1.856 0 40 IDAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc2O1 31720300 HWGUPCROHDAJBB-IBGZPJMESA-N 446.529 1.733 0 40 IDAB COc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 32071232 QFTCXIZINHGBMN-CQSZACIVSA-N 425.441 1.574 0 40 IDAB O=C(CN1CCN(CC(=O)Nc2cccc(F)c2)CC1)NC[C@H]1COc2ccccc2O1 32759466 GPBIZLJSNQRDGN-IBGZPJMESA-N 442.491 1.338 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(C(=O)N4CCCC4)cn3)CC2)cc1 32908976 OTJRQMGSELXKBV-UHFFFAOYSA-N 430.530 1.837 0 40 IDAB O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 40153135 DFVBHPCJIQSNEL-UHFFFAOYSA-N 436.559 1.895 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)NCCN1CCN(C(=O)c2cccs2)CC1 44455341 NVVFZJVWJRSCIW-UHFFFAOYSA-N 443.572 1.333 0 40 IDAB O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1ccc(N2CCCS2(=O)=O)cc1 58308226 ULGOKVFWGYXQKK-UHFFFAOYSA-N 434.522 1.133 0 40 IDAB CCS(=O)(=O)N1CCC(c2nc(NC)cc([C@H]3CC(=O)N(CCOC)C3)n2)CC1 72341530 GMXJIUCIMLZLGI-HNNXBMFYSA-N 425.555 1.010 0 40 IDAB O=C(O)[C@H](CCCCN1C(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100537571 QVQQYVHBVKGSMN-ZOFSQYNYSA-N 438.480 1.224 0 40 IDAB COC(=O)C1CCN(C(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)CC1 219192280 RTYVFJUFINBLRH-UHFFFAOYSA-N 438.502 1.626 0 40 IDAB COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)OC)ccc2F)cc(C(=O)OC)c1 223430163 SFVBETCUQFEZTK-UHFFFAOYSA-N 425.390 1.986 0 40 IDAB COC(=O)CSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)s1 223455792 RAJIPQGMPVWJSP-UHFFFAOYSA-N 445.548 1.298 0 40 IDAB O=C(C[C@H]1CCCN(C(=O)c2ccnc(N3CCOCC3)c2)C1)NCCn1ccnc1 257280148 OJRQCCYTJPGQAF-GOSISDBHSA-N 426.521 1.173 0 40 IDAB CN1C[C@@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)c3ccnn3C)CC2)C1 306126734 FDSJNNJHHOORFA-IBGZPJMESA-N 429.496 1.181 0 40 IDAB COC(=O)N1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3ccn(C)n3)CC2)C1 306134310 NIRGUGACIYVKNK-UHFFFAOYSA-N 441.517 1.954 0 40 IDAB COc1cccc(N2C[C@H](C(=O)NC3CCN(c4nccn5c(C)nnc45)CC3)CC2=O)c1 575414962 UBZQHEBYSFDBRV-MRXNPFEDSA-N 449.515 1.579 0 40 IDAB C[C@H]1COCCCCC2(CCN(C(=O)CCCn3ccnc3)CC2)C(=O)N[C@@H](C)C(=O)N1 643564226 ZOVDPYWJCYNXQI-OALUTQOASA-N 447.580 1.482 0 40 IDAB COc1cccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(C)cc2)c1 785486 NLROSCOAVDIGPN-UHFFFAOYSA-N 445.541 1.923 0 40 IDAB CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 2022743 QZWUQVSQIFFFKY-IBGZPJMESA-N 446.529 1.652 0 40 IDAB in-man NC(=O)CSc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 8745470 VBIGWWWTZYQQHX-NRFANRHFSA-N 440.481 1.432 0 40 IDAB CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1 9570137 SODPUMYNIMMBIP-UHFFFAOYSA-N 447.557 1.976 0 40 IDAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc(OC)cc1OC)c(=O)n2C 9571733 VGGFTJZLXXEXNW-UHFFFAOYSA-N 442.472 1.712 0 40 IDAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c1 9708638 VNCPOHNBTAIZKD-UHFFFAOYSA-N 444.465 1.896 0 40 IDAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 9948888 BUCLZGDQOVSCCK-VGOFRKELSA-N 445.541 1.338 0 40 IDAB Cc1ccc(NC(=O)CCNC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 12447821 IXNXMPGKKJPONP-LYYGHALDSA-N 434.489 1.836 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(=O)[nH]c1=O 12853096 JXTJPECKAFHPAL-GASCZTMLSA-N 447.536 1.083 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ncccn3)CC2)c1 13042004 LBXNPWCSPVPWPV-UHFFFAOYSA-N 432.550 1.268 0 40 IDAB CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccccc1Cl 13131002 ZAYYHDJZJMTMSR-UHFFFAOYSA-N 438.937 1.217 0 40 IDAB C[C@@H]1CN(CC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)C[C@@H](C)O1 19497438 XIMKJQQUVBUZAU-WQLIQUDQSA-N 437.487 1.275 0 40 IDAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1 19563428 VWQCCWVTXJTDLG-OAQYLSRUSA-N 432.484 1.993 0 40 IDAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C)CC2)C1 19938142 RNCVFLADSZVSPL-OAHLLOKOSA-N 429.970 1.913 0 40 IDAB Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(OC[C@H]3CCCO3)cc1)c(=O)n2C 23640871 GWZAPPRADJOFLC-QGZVFWFLSA-N 442.472 1.239 0 40 IDAB O=c1n(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nnn1-c1cccs1 23818526 JNPYOHFCNGNWFM-RIYZIHGNSA-N 432.531 1.066 0 40 IDAB COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccnc(-n4cccn4)c3)cc2)[nH]1 25123434 DOJKOAFWHCBAKN-UHFFFAOYSA-N 432.440 1.392 0 40 IDAB CCCn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2c(C)nn(C)c2c1=O 28557114 LWKQNQLYYMVWLI-UHFFFAOYSA-N 444.561 1.500 0 40 IDAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCc2cccc(NS(N)(=O)=O)c2)cc1 32754072 CIRGDSVUIDGHON-BMGYJQCNSA-N 432.502 1.145 0 40 IDAB O=C(CCNC(=O)c1ccc(Cl)cc1)OCCN1C(=O)c2ccccc2S1(=O)=O 32947078 JWVDPIJLAAMWPA-UHFFFAOYSA-N 436.873 1.848 0 40 IDAB O=C(CN1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1)Nc1ccc(F)cc1 35413711 USNSKFSVVTZYQB-UHFFFAOYSA-N 429.481 1.324 0 40 IDAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)NC[C@@H]1CCCN2CCCC[C@H]12 36576375 GHPGYLQPBJKRLB-IVAOSVALSA-N 440.588 1.955 0 40 IDAB biogenic Cc1ccc(-n2ncc3c(N4CCOCC4)nc(N[C@@H]4CCS(=O)(=O)C4)nc32)cc1 71195148 XPHSCEBUIVFKIG-OAHLLOKOSA-N 428.518 1.560 0 40 IDAB Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(CC(=O)N3CCCCC3)CC1)O2 72394456 HPOYOMBPVMDRII-UHFFFAOYSA-N 435.590 1.996 0 40 IDAB CN1CCN([C@@H]2CCCCN(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3F)C2)CC1 95454980 GBENWZOMWXKCCT-MRXNPFEDSA-N 441.573 1.710 0 40 IDAB NC(=O)CNC(=O)c1ccc(CNC(=O)c2nc(OCC3CC3)c3ccccc3n2)cc1 95468814 WECWOJUKBHFVCQ-UHFFFAOYSA-N 433.468 1.564 0 40 IDAB O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(C3CCCC3)[C@@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 100432003 TUORRBUWABAHCA-BORCDFBASA-N 427.545 1.807 0 40 IDAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](CN5C(=O)[C@H]6[C@H]7C=C[C@@H](C7)[C@H]6C5=O)(O4)[C@@H]3C2=O)cc1 102139859 GVMWDTYFFKRHRZ-QTAMJDFHSA-N 430.460 1.615 0 40 IDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(CN2CCOCC2)c1 216364462 ALVBSNNEJQMTOZ-UHFFFAOYSA-N 429.542 1.972 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)[C@@H]3[C@H]4CCCC[C@H]43)C1)C2=O 248171385 SEVIJTKPJXZXAV-YRXWBPOGSA-N 444.576 1.983 0 40 IDAB COCCN1C[C@@]2(CCN(Cc3cccnc3OC)C2)Oc2ccccc2S1(=O)=O 306140149 ULTSYMOCLIKMHY-NRFANRHFSA-N 433.530 1.764 0 40 IDAB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Cl)c(C(=O)O)c1 408543784 QKTHPLYPXAHNHJ-UHFFFAOYSA-N 425.898 1.730 0 40 IDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 409393876 YVCQGJUIJAGKGF-INIZCTEOSA-N 433.530 1.719 0 40 IDAB CCCn1cc(C(=O)N2CCC3(CCCCn4cc(nn4)COCCNC3=O)CC2)cn1 643563851 BPTSTQTURLMGOI-UHFFFAOYSA-N 443.552 1.624 0 40 IDAB CO[C@H]1CN(C(C)=O)CCCN(C(=O)/C=C/c2ccccc2)CCCCOC[C@H](O)[C@@H]1O 643584137 UTOPDNVEFYSINY-AHUZKVNSSA-N 448.560 1.314 0 40 IDAB Cn1c(OCc2ccc3c(c2)OCO3)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 789639 QYRWTXIEOJIZOX-UHFFFAOYSA-N 438.415 1.929 0 40 IDAB biogenic COCCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)Nc1ccccc12 3097252 JSRBSYGVUOXATR-HSZRJFAPSA-N 434.404 1.784 0 40 IDAB CC(C)c1nnc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)s1 6015191 YOMDITLRZNXVCD-UHFFFAOYSA-N 437.551 1.720 0 40 IDAB CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)C[C@H](C(=O)O)O2 6182867 IIUNUPAFFGKONB-QGZVFWFLSA-N 425.484 1.830 0 40 IDAB Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)NC(=O)N=C1O 9087918 FTJWRGBHGALMTH-MRXNPFEDSA-N 429.436 1.856 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)n(C)c1=O 9715432 NGSHBWCHCUKMKW-UHFFFAOYSA-N 432.412 1.474 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2OC)n2nnnc2N1 10232219 VQULIWHMWOSXBM-QGZVFWFLSA-N 436.384 1.915 0 40 IDAB CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1c(F)cccc1F)CS(=O)(=O)C2 10250681 LPQPBYYMOUUECM-UHFFFAOYSA-N 426.445 1.600 0 40 IDAB CCCCN(C(=O)COC(=O)c1ccc2c(c1)OCO2)c1c(N)n(CCC)c(=O)[nH]c1=O 10717209 OVLMWUNHQITBPZ-UHFFFAOYSA-N 446.460 1.248 0 40 IDAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2cc(C)no2)C[C@@H]1C(=O)N(C)C 12125463 ZZVHJHXXUNCMMW-VGSWGCGISA-N 426.473 1.267 0 40 IDAB O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1cccc(Br)c1 12787509 HGAUUVFIPKWMGA-NFAWXSAZSA-N 430.324 1.795 0 40 IDAB CCc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2C)s1 13956064 ORJWCFSKKHGOFH-UHFFFAOYSA-N 447.546 1.898 0 40 IDAB COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16022188 GCIOUAJSSPCYOF-PUFAWVJESA-N 449.507 1.619 0 40 IDAB O=C([C@H]1CN(C(=O)CN2C(=O)COc3ccccc32)c2ccccc2O1)N1CCOCC1 16964624 LVUJPPLKESBSEP-HXUWFJFHSA-N 437.452 1.065 0 40 IDAB Cc1cnc(C(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ccccc34)C2)cn1 19697669 GLTBARNWUVGJID-INIZCTEOSA-N 426.498 1.936 0 40 IDAB CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 20572459 IVVLACIXMCNWIS-CBBYRDHQSA-N 433.505 1.478 0 40 IDAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccno4)o3)cc2)C[C@@H](C)O1 22710800 NBIVDPRODICLDD-VXGBXAGGSA-N 433.446 1.775 0 40 IDAB O=C(CN1CCN(Cc2ccsc2)CC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 23264090 RWNPHCNQBYSSEL-LJQANCHMSA-N 425.620 1.824 0 40 IDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCN(C/C=C/c2ccccc2)CC1 23762141 QEUMDRLSABYQHD-KPKJPENVSA-N 444.535 1.916 0 40 IDAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCS(=O)(=O)CCC(N)=O)CC2 23865026 KZRKLXLAGOZFRI-JOCHJYFZSA-N 432.542 1.942 0 40 IDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 32752729 HZNOEBPMYMDCRB-UHFFFAOYSA-N 447.495 1.933 0 40 IDAB CNS(=O)(=O)c1ccc(NC(=O)CCCNS(=O)(=O)c2cc(C)ccc2C)cc1 33028203 RRVFCRBNYLDQOU-UHFFFAOYSA-N 439.559 1.909 0 40 IDAB COc1ccc(N2C(=O)CN(Cc3ccc(OC)c(OC)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408609 MAOYCCSILAQNLG-RBUKOAKNSA-N 446.525 1.727 0 40 IDAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCC(C(=O)NC(C)C)CC2)cc1OC 58215097 DCJNRJSEWQLETF-UHFFFAOYSA-N 441.550 1.135 0 40 IDAB C[C@@H](C(=O)N1CCN(C)CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326599 XABJNAFGVJLLLN-LHSJRXKWSA-N 433.940 1.367 0 40 IDAB CCOC[C@H](O)CN1CCN(C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)CC1 95399141 QLRDJKXQVMASPI-SONOPUAISA-N 427.567 1.129 0 40 IDAB COc1cccc(CCN2C[C@@]34CN(C(=O)c5cccnc5)C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 96146017 AIEGHMMAMUVOBV-URVUXULASA-N 443.525 1.330 0 40 IDAB C[C@H](C(=O)NCc1ccccn1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222895181 QSWZKRQVWWCGFW-OAHLLOKOSA-N 436.509 1.146 0 40 IDAB COC(=O)CCc1c(C)nc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n(C)c1=O 223809649 ZKTCYLHZNZWUQT-UHFFFAOYSA-N 431.470 1.500 0 40 IDAB CCS(=O)(=O)N(CC(=O)NCCOCc1ccccc1)c1ccc2c(c1)OCCO2 224162710 JCUDEDPOAATSEQ-UHFFFAOYSA-N 434.514 1.947 0 40 IDAB COC(=O)c1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 225564173 CLWHGIWDAAPHQM-UHFFFAOYSA-N 434.470 1.755 0 40 IDAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CN(C)[C@H]3CCS(=O)(=O)C3)C2)on1 247948209 BMIGOQSGJOKASK-KBPBESRZSA-N 439.563 1.326 0 40 IDAB O=C(c1ccno1)N1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 306144462 ZGBJGVPEYMQOKS-NVXWUHKLSA-N 426.454 1.546 0 40 IDAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Br)cc1 408652314 CFRLCQJMWBHPPV-NXKWAJLKSA-N 435.274 1.962 0 40 IDAB CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)[C@H]2O)CC1 514288408 CWHBWIBDWRUGBH-OKZBNKHCSA-N 429.439 1.118 0 40 IDAB biogenic,in-vitro C[C@]1(c2ccc(C(=O)N3C[C@H](C[C@H]4COCC(=O)N4)c4ccccc43)cc2)NC(=O)NC1=O 554656826 FCGVXBWCLUSFHF-OWWADGOUSA-N 448.479 1.390 0 40 IDAB O=C(NCc1cc(=O)n2c(n1)CN(C(=O)CCc1cncnc1)CCC2)c1ccsc1 585111031 UXBWWTCQRUJBQY-UHFFFAOYSA-N 438.513 1.390 0 40 IDAB O=C(NC1CCN(c2ncccn2)CC1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 643186672 JXGMSFNVUWXEIF-MRXNPFEDSA-N 435.575 1.867 0 40 IDAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(COc4ccc5c(c4)OCO5)nn23)C1 1501040102 AHCGWPISHJOBFY-NSHDSACASA-N 437.503 1.633 0 40 IDAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(c2ccccn2)CC1 9420062 FSQYNWZAULJGPZ-KRWDZBQOSA-N 432.521 1.970 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1nccs1 9483336 LYDNZRLPIFSTDF-LBPRGKRZSA-N 442.950 1.952 0 40 IDAB COCCN1N=C(c2ccc(Cl)cc2)Cn2c1nc1c2c(=O)n(CCOC)c(=O)n1C 9707542 OWBQVLRMRJYZGN-UHFFFAOYSA-N 446.895 1.067 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 10188098 FTEBNBKARXIWIU-UHFFFAOYSA-N 435.477 1.436 0 40 IDAB COc1ccccc1OCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1 12163179 SATKRPHQIRPBAK-UHFFFAOYSA-N 448.545 1.127 0 40 IDAB Cc1ccc(N2C[C@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1C 12180128 MMKZJWZOGZRHBA-QGZVFWFLSA-N 430.530 1.598 0 40 IDAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCN(C)CC3)n2C)cc1Cl 15019498 SRSQXJZBEYWDOS-UHFFFAOYSA-N 436.969 1.824 0 40 IDAB COc1ccccc1CN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 15956650 PPCAFGJIMNCBIO-GJBMREDPSA-N 435.480 1.305 0 40 IDAB COc1ccc(N(C[C@H](O)CN[C@@H](C)C(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1 16839613 XIJYLMXKGISIIK-XJKSGUPXSA-N 442.921 1.968 0 40 IDAB O=C(CN1CCC(N2CCCC2)CC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292001 NCILWQPQTZMULX-LJQANCHMSA-N 427.593 1.846 0 40 IDAB CCc1nnsc1C(=O)N1Cc2cn(C)nc2[C@@H](C(=O)NCc2ccc(OC)cc2)C1 19701547 RTDUDIWNVMWLOT-INIZCTEOSA-N 440.529 1.899 0 40 IDAB CCC(=O)Nc1cc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1OC 20033323 BLEQVCZLYFLNRK-UHFFFAOYSA-N 427.504 1.170 0 40 IDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 21137570 YYIKUIIKLZJIIU-UHFFFAOYSA-N 430.486 1.929 0 40 IDAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1C(=O)NC1CCCC1 23479711 LWMKLGJQYYGJNA-SFHVURJKSA-N 448.589 1.102 0 40 IDAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 23718588 QWECMEUUYGGHTD-UHFFFAOYSA-N 445.463 1.687 0 40 IDAB COCCn1cnc2c1c(=O)n(C[C@@H](O)COc1cc(C)ccc1C)c(=O)n2CC(C)C 25058988 NNOIUQSBQMPKDI-GOSISDBHSA-N 444.532 1.719 0 40 IDAB COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 26770770 QXLRMUFDIUWRLF-UHFFFAOYSA-N 448.469 1.951 0 40 IDAB CNS(=O)(=O)c1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)n(C)c1 29689508 PZBQPPUGDVPUHJ-UHFFFAOYSA-N 443.323 1.373 0 40 IDAB COC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NCCn2nc(C)cc2C)n1 36354042 DEYSISFIJBSNQY-UHFFFAOYSA-N 426.433 1.281 0 40 IDAB COC(=O)c1cn(Cc2ccc(OC)c(F)c2)nc1S(=O)(=O)N1CCSCC1 49402236 ZQYKUCQDTLVUOZ-UHFFFAOYSA-N 429.495 1.603 0 40 IDAB O=C(CN1C(=O)c2ccccc2C1=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 56965943 PSLWTSBMDNZKBV-UHFFFAOYSA-N 426.904 1.874 0 40 IDAB CCCOc1ccc([C@@]2(C)C(=O)N(N3CCOCC3)C(=O)N2CN2CCOCC2)cc1 57471653 NBUCYEDDOZSVFR-QFIPXVFZSA-N 432.521 1.492 0 40 IDAB COc1cccc(C[C@H](C(=O)NCc2ccnc(-n3ccnc3C)c2)n2nnnc2C)c1 69652697 YZRNQIPZJTUIMS-HXUWFJFHSA-N 432.488 1.979 0 40 IDAB CN1CCN(C[C@H](O)CN(C)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 95406737 TWYISXCDROWVAC-AZUAARDMSA-N 436.984 1.259 0 40 IDAB CC1(C)Oc2ccc(C(=O)N3CCC[C@@]4(CC3)Cc3c(O)nc(O)nc3O4)cc2NC1=O 257295319 QXWHSADWFPUVEZ-JOCHJYFZSA-N 440.456 1.997 0 40 IDAB O=C1CCCN1CCOCC(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N2CCCCC2)C1 257308573 TXGJBDKOTQZSRI-QGZVFWFLSA-N 431.537 1.381 0 40 IDAB CN1CCN([C@H]2CC[C@](CNC(=O)c3ccnn3C)(c3ccccc3)CC[C@@H]2O)CC1 257326378 WWZOTXSQPDUGAI-SSPYTLHUSA-N 425.577 1.639 0 40 IDAB COc1ccc(-c2nc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)n[nH]2)c(OC)c1 524735294 OTUNUIXZHGHCJA-HNNXBMFYSA-N 436.428 1.568 0 40 IDAB O=S1(=O)C[C@@H](O)[C@H](N(Cc2ccccc2)S(=O)(=O)c2cccc3cccnc23)C1 575426025 KYPFHWXKYCFZBU-QZTJIDSGSA-N 432.523 1.584 0 40 IDAB COc1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc(N2CCOCC2)n1 575603397 FWCCTPCBMFWYHX-INIZCTEOSA-N 440.504 1.003 0 40 IDAB COc1cc(CN(C)C[C@@]2(O)CCN(c3ncccn3)C2)ccc1OCCCN(C)C 585271495 FUPLBKPDKFKCEE-QHCPKHFHSA-N 429.565 1.889 0 40 IDAB Cc1nc(S(=O)(=O)N(C)C2CN(c3ncnc(-c4ccc(F)cc4)c3F)C2)cn1C 1775974196 MUFVBRDCGTWYBL-UHFFFAOYSA-N 434.472 1.973 0 40 IDAB COc1ccc(-c2ncnc(N3CCN(C(=O)Cn4cnc(C)cc4=O)CC3)c2F)cc1 1775974809 RBHWCOCAZXXERX-UHFFFAOYSA-N 438.463 1.505 0 40 IDAB CCOc1cc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)ccc1OC(C)=O 724096 RDOHOVMROYGJDE-DEDYPNTBSA-N 449.488 1.974 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1Cl 814602 NEABEIGIIOCBQJ-UHFFFAOYSA-N 443.953 1.473 0 40 IDAB COC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 932466 NFHLFOMGBVKBFZ-UHFFFAOYSA-N 427.442 1.951 0 40 IDAB CN1CCC(N(C)C(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)CC1 4272224 RFEJRVBQCUVQSN-UHFFFAOYSA-N 426.517 1.235 0 40 IDAB COCCn1c(C)cn2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc12 8709682 ZGJXAMPEQNOCHN-UHFFFAOYSA-N 446.305 1.915 0 40 IDAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCCc2ccccc2OC)n1 9038144 JOOGZRYSSYOLCF-UHFFFAOYSA-N 438.488 1.523 0 40 IDAB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)NCCOC34CC5CC(CC(C5)C3)C4)ccc21 9614378 IMOGYZYNVWNKNJ-UHFFFAOYSA-N 447.557 1.501 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)ccc1C 9853409 AWZCDKJHYDHCAS-UHFFFAOYSA-N 431.580 1.179 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)NCCCn2nc(-c3ccncc3)ccc2=O)c1 11746631 QCAJFXRHRXYEFW-UHFFFAOYSA-N 430.486 1.691 0 40 IDAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)c(OC)c1 12030637 GOKJLTPDCSXWGY-MRXNPFEDSA-N 439.511 1.917 0 40 IDAB O=C1NCC2(CCC(C(=O)N3CCS(=O)(=O)CC3)CC2)Oc2ccc(Cl)cc21 12087253 YNZUYRQLPIZEBO-UHFFFAOYSA-N 426.922 1.648 0 40 IDAB Cn1cc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(F)c3)CC2)c(-c2cccnc2)n1 19290303 XGCJKKDXZUWGTD-UHFFFAOYSA-N 443.504 1.697 0 40 IDAB C[C@H](C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2)c1ccccc1 19459252 LUDXLEOTOURZKA-KBXCAEBGSA-N 430.530 1.555 0 40 IDAB CC(C)CN(Cn1nc(CCC(N)=O)n(CC(C)C)c1=S)[C@@H]1CCS(=O)(=O)C1 22315568 UPNBKCSYXQCOFI-OAHLLOKOSA-N 431.628 1.591 0 40 IDAB COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2cccs2)N1C 22923589 MJHUXKVIVQXWKG-DIJFTKHXSA-N 434.606 1.539 0 40 IDAB biogenic,in-vitro CCNC(=O)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccco1 24205232 DMIYOWGUMPYHBC-UHFFFAOYSA-N 444.469 1.762 0 40 IDAB O=CN1CCN(C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)CC1 26113828 WMUOYVICQOGENZ-IBGZPJMESA-N 449.916 1.597 0 40 IDAB Cc1ccc2nc(C)c(C(=O)N3CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)cc2c1 30664393 PMCRSZABHXRYRV-IAGOWNOFSA-N 446.573 1.963 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21)NC[C@H]1CCCO1 57486459 UJETUQYVJZGRFA-CQSZACIVSA-N 443.481 1.297 0 40 IDAB COc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)cc1 57520637 GBHFOOCXXKCFFM-UHFFFAOYSA-N 429.502 1.082 0 40 IDAB COCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)c4cccnc4)C3)cc(=O)[nH]2)CC1 72399226 FLEYVAQEQJWJDT-GOSISDBHSA-N 439.516 1.537 0 40 IDAB CCOC(=O)N1CCN(c2ncc3c(=O)n(Cc4ccccc4F)c(O)nc3n2)CC1 77100729 YMXDKDSEUPTNIP-UHFFFAOYSA-N 428.424 1.358 0 40 IDAB COC(=O)[C@]1(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CCSC1 95444108 VGKKXBAVWIOGTK-HNNXBMFYSA-N 436.349 1.529 0 40 IDAB CC[C@]1(C)NC(=O)N(NC(=O)CN(Cc2ccc(C(=O)NC)cc2)Cc2ccco2)C1=O 96743033 OWSLMFITVQPAQH-QFIPXVFZSA-N 441.488 1.393 0 40 IDAB O=c1c(CN2CCOCC2)coc(O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 101411367 PTECEANNJABWLZ-UHFFFAOYSA-N 443.500 1.224 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4nc(O)sc4[C@@H](C(=O)OC)[C@@H]3C2=O)cc1 137870012 OGHTWSBACFWVHF-GMXVVIOVSA-N 448.478 1.946 0 40 IDAB COc1cccc(-n2nccc2-c2nc(C(=O)NCCN3CCOCC3)c3cnccn23)c1 306130121 IWQHHIIIOQVAHC-UHFFFAOYSA-N 447.499 1.653 0 40 IDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)c(Cl)c1 408636715 UDZBQPJPTGFENM-UHFFFAOYSA-N 433.958 1.246 0 40 IDAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148538 WOBSVUUBJDLKQR-UHFFFAOYSA-N 427.379 1.775 0 40 IDAB Cc1nnc2ccc(N3CCCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)nn12 1775967450 RUIUZMVPSZLYER-UHFFFAOYSA-N 444.517 1.495 0 40 IDAB CCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nc2c1c(=O)n(C)c(=O)n2C 880840 MBWRGPUYLUASDL-UHFFFAOYSA-N 431.518 1.973 0 40 IDAB Cc1c(CCC(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2154892 GRMKNNMIRVOSAL-UHFFFAOYSA-N 440.452 1.976 0 40 IDAB biogenic CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cnc(C)cn2)c1 9443097 KSYMEMUHRHKJGX-UHFFFAOYSA-N 433.534 1.904 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1c(C)noc1C 9663296 LQISGIBUVBKYIC-UHFFFAOYSA-N 437.474 1.416 0 40 IDAB O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9883538 XJLUMSPGLOQTGM-UHFFFAOYSA-N 437.905 1.729 0 40 IDAB COc1cc(OC)nc(NC(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)n1 10892454 KKXRBXVDTIPVNH-UHFFFAOYSA-N 446.504 1.698 0 40 IDAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)nn2c1O 12154124 IPAKGPDUOJFWGH-RHSMWYFYSA-N 435.550 1.088 0 40 IDAB C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)cc21 12879847 WLDQEENCJRLNMB-NEPJUHHUSA-N 434.543 1.823 0 40 IDAB CN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1 13015505 WSGGYWBLMCJRIY-QGZVFWFLSA-N 434.539 1.697 0 40 IDAB O=C(O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 13040500 SODBWYGHUMZNEF-UHFFFAOYSA-N 426.472 1.207 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)C2CCCCC2)cc1OC 13116863 CEUAMVKLZKXPTC-UHFFFAOYSA-N 439.578 1.801 0 40 IDAB CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(N(C)C)cc3)CN21 15708635 HUMCDRWXUKZLTL-SXLOBPIMSA-N 429.565 1.072 0 40 IDAB biogenic,in-vitro COc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@@H]3C(=O)O)C(C)C)CC2=O)cc1 15959692 IHWJGQUDIGPWGB-YJLNNSPDSA-N 431.489 1.265 0 40 IDAB Nc1nc(COC(=O)c2nn(CCO)c(=O)c3ccccc23)nc(Nc2ccccc2)n1 16047006 BCJXKMLRDUDLGO-UHFFFAOYSA-N 433.428 1.257 0 40 IDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl 16188250 MTBFYOVDKONSHU-UHFFFAOYSA-N 447.922 1.255 0 40 IDAB CCCC(=O)Nc1ccc(C(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1 18776749 BCAJCOHSNUHGBA-UHFFFAOYSA-N 443.481 1.890 0 40 IDAB CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)nc(O)c2C1 19081290 YXWIXMSWGIGSDP-CYBMUJFWSA-N 425.555 1.099 0 40 IDAB O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1cnc(N2CCOCC2)nc1 19332978 HYWLXBWKTLKULA-UHFFFAOYSA-N 429.496 1.166 0 40 IDAB Cc1ccc(CS(=O)(=O)N(C)Cc2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)cc1 19700918 PNECDBTYQHRDAY-KRWDZBQOSA-N 431.562 1.759 0 40 IDAB Cc1nonc1C(=O)N1CC[C@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)C1 19761406 AINQKZYZYLCUMO-INIZCTEOSA-N 434.500 1.944 0 40 IDAB COc1ccc([C@@H](CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)N2CCOCC2)cc1 22226891 BOTCZPUZHUIGLK-QHAWAJNXSA-N 441.528 1.526 0 40 IDAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC1CCN(S(C)(=O)=O)CC1 32754753 KIBAMUPYYQJBBH-UHFFFAOYSA-N 429.546 1.972 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)c2c[nH]c3cc(OC)ccc3c2=O)cc1 32928408 FJHBORQZFRZIEG-UHFFFAOYSA-N 431.470 1.254 0 40 IDAB O=S(=O)(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 36647038 IGBYISLNCMCFEA-UHFFFAOYSA-N 427.523 1.256 0 40 IDAB O=C(CN1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1)Nc1ccc(F)cc1 38581057 FPYZUHGDVUCFTG-UHFFFAOYSA-N 426.496 1.615 0 40 IDAB COc1ccc([C@@H]2CC(=O)c3cnc4nc(NCCN5CCOCC5)[nH]c(=O)c4c3C2)cc1 38829509 GHLJXPNUXQYWHH-INIZCTEOSA-N 449.511 1.984 0 40 IDAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1cccnc1N1CCOCC1 40141879 QCXSUOBKJJNNHN-UHFFFAOYSA-N 429.868 1.486 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 56903586 OYBZEKYTSNLDDM-UHFFFAOYSA-N 427.468 1.597 0 40 IDAB O=C(Nc1ccc(F)cc1Br)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 59304929 CKGXFBKFTCIBDN-JTQLQIEISA-N 432.271 1.692 0 40 IDAB CC(C)(C)N(CCS(C)(=O)=O)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 84169961 MJZJVXMMVAJMIB-UHFFFAOYSA-N 445.607 1.555 0 40 IDAB C[C@@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@@H]1CO 89929846 WJHCSFXGXZPMJZ-ZWNOBZJWSA-N 426.354 1.634 0 40 IDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@](C)(O)CC(=O)OCC)cc(C(C)C)nc21 96011908 DBPVETXWVWAYQO-OAQYLSRUSA-N 434.493 1.052 0 40 IDAB Cc1sc2nc(CN3CCN(Cc4cc(=O)n5ccsc5n4)CC3)[nH]c(=O)c2c1C 96315799 SHPMNQWZSDISNX-UHFFFAOYSA-N 442.570 1.989 0 40 IDAB C[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222678912 UDSCXVPTIKGMIN-CYBMUJFWSA-N 434.470 1.830 0 40 IDAB O=C(NCC1CCN(c2cccnc2)CC1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 225657168 LVJINFCYPHVFCL-UHFFFAOYSA-N 433.512 1.888 0 40 IDAB COC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc(C(=O)OC)c1 408584997 XMFLNUKAKYIUSU-CYBMUJFWSA-N 434.470 1.874 0 40 IDAB Cc1ccc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1 575419903 AKUNEWOUAKRQOH-GHMZBOCLSA-N 444.793 1.933 0 40 IDAB CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1=O 643556441 MIRRYGZBNMWUCN-DEOSSOPVSA-N 445.560 1.180 0 40 IDAB CC(C)CC(=O)N1CCCN(C(=O)Cn2ccc(O)nc2=O)CCNCc2ccccc21 643557108 DKSSCISCBILKRZ-UHFFFAOYSA-N 441.532 1.350 0 40 IDAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5ccccc5F)C[C@@H]4C3)ncnc21 1888930522 JGXGAMBIOQEVGW-HOTGVXAUSA-N 430.509 1.883 0 40 IDAB COc1cc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c(OC)c1OC 601252 YNZXWQJZEDLQEG-UHFFFAOYSA-N 435.481 1.267 0 40 IDAB world CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)o1 2457016 ZSFDUIBEVPCLQN-RYUDHWBXSA-N 426.520 1.983 0 40 IDAB CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 3593075 OWJQEDVBVLKJGW-KRWDZBQOSA-N 425.283 1.840 0 40 IDAB O=C(O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 4915437 XLUMOZQZGPJGTL-MSOLQXFVSA-N 444.440 1.664 0 40 IDAB CSCC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)Cc1ccccc1)C(=O)O 5699487 DFSPWFNMFGQHRL-GJZGRUSLSA-N 434.605 1.550 0 40 IDAB CCCCn1c(SCC(=O)Nc2ccccc2OC)nc2c1c(=O)n(C)c(=O)n2C 6162151 OIZZYDRCOIJOSJ-UHFFFAOYSA-N 431.518 1.973 0 40 IDAB CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)CC1 9001528 FOOTUGGAJBROQT-UHFFFAOYSA-N 426.477 1.059 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OCC)cc2)n(C)c1=O 9160467 OISQEZAAGCETRT-AWEZNQCLSA-N 441.488 1.646 0 40 IDAB O=C(CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCC3)NC[C@H]1CCCO1 9479274 VFXPSCHBTUJVDD-SNVBAGLBSA-N 429.531 1.766 0 40 IDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cccs1 9600531 VTALHWPVTWTCLB-AWEZNQCLSA-N 443.934 1.181 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 10127450 QELVJVCWPWTJKX-SNVBAGLBSA-N 426.292 1.854 0 40 IDAB COc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC 10188089 FRSJQJYSNDOAOS-UHFFFAOYSA-N 433.530 1.586 0 40 IDAB Cn1c(=O)[nH]c2ccc(S(=O)(=O)NCCCOC34CC5CC(CC(C5)C3)C4)cc2c1=O 12427750 OPQKQSPUCMUQEU-UHFFFAOYSA-N 447.557 1.881 0 40 IDAB O=C(Nc1nc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cs1)c1ccc(=O)[nH]c1 12439988 AQKQLNCZFZFZNK-UHFFFAOYSA-N 441.469 1.204 0 40 IDAB Cc1ccccc1N1CCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC1 13057457 LOZDUTOILKUBNE-UHFFFAOYSA-N 447.539 1.491 0 40 IDAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cc(=O)[nH]c2ccccc12 14700208 LSFYDPPUZIKAEU-UHFFFAOYSA-N 431.445 1.940 0 40 IDAB O=C(NCc1cccnc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 17169546 DVMCMOOVJKTNCY-SFHVURJKSA-N 431.445 1.761 0 40 IDAB Cc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)o1 19559351 AJNYXIVMLWHTIO-UHFFFAOYSA-N 430.490 1.234 0 40 IDAB CNC(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)N2CCOCC2)CCO1 19697840 RFLHMDHDKXWHJR-AWEZNQCLSA-N 425.532 1.211 0 40 IDAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)c1 26537592 MUUMEZAMULNHNV-LJQANCHMSA-N 427.505 1.597 0 40 IDAB Cc1cccc(N2C[C@@H](C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)CC2=O)c1C 32745225 GBZRFUYPOBLOMB-INIZCTEOSA-N 432.498 1.926 0 40 IDAB Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)N4CCC[C@@H]4C(N)=O)CC3)cccc2c1 32899597 OPMBTMVPOKPRJN-QGZVFWFLSA-N 430.530 1.420 0 40 IDAB CCOc1ccccc1NC(=O)Cn1c(=O)c(N2CCCCC2)c(N)n(CCOC)c1=O 32958171 ZMBKVNBHAGDWAA-UHFFFAOYSA-N 445.520 1.266 0 40 IDAB CNS(=O)(=O)c1cc(/C=C/C(=O)N(C)C[C@H]2COc3ccccc3O2)ccc1OC 33024114 VNXFMUKDZZBPMA-SOGBHIHOSA-N 432.498 1.915 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)O)c(OC)c3)C2=O)o1 34721385 PTOHQDUFJQJXHL-QPEQYQDCSA-N 430.369 1.631 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)N3CCCc4cc(F)cc(F)c43)c2)CCN1 59265569 JETUCSLMXCMXQK-UHFFFAOYSA-N 435.452 1.678 0 40 IDAB CC(C)(C)NC(=O)Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O 67225608 ZLJBLHIDHXXJAN-UHFFFAOYSA-N 432.550 1.263 0 40 IDAB CS[C@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C[C@H]1N(C)C 89314087 SPPBCRHHUYYHQI-HIFRSBDPSA-N 428.352 1.679 0 40 IDAB O=CNc1ccc(C(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)cc1 89814128 MGFUXVKEFZKHPV-UHFFFAOYSA-N 434.246 1.929 0 40 IDAB COC(=O)CSc1nnc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)s1 223260468 OUEVAZVYIXIIHK-UHFFFAOYSA-N 430.533 1.760 0 40 IDAB COC(=O)[C@H]1CN(C(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)c2ccccc2O1 226062577 XRKVZPRAOJQENT-GOSISDBHSA-N 436.461 1.555 0 40 IDAB COc1ccc(C2=NN(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)[C@H](C(=O)O)C2)cc1 256028019 OGYOHANIHIZBSO-FDIDWWNZSA-N 448.464 1.242 0 40 IDAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O 408653080 HTAPFFJFEWUTJS-MRXNPFEDSA-N 439.468 1.987 0 40 IDAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 409227163 SSZNNISXFAAQTP-RIYZIHGNSA-N 427.413 1.949 0 40 IDAB CC(C)CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)CCc1cncnc1)C2 1614937916 UZDMNTZAGALPFW-JOCHJYFZSA-N 425.537 1.119 0 40 IDAB COc1ccc(-c2cnc(N3CCN(C(=O)Cn4ccccc4=O)CC3)c3nccn23)cc1 2055738834 UHEHIRLVZMNVTP-UHFFFAOYSA-N 444.495 1.915 0 40 IDAB CC(C)CNC(=O)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3373102 FQIJGYKWISPBBR-UHFFFAOYSA-N 427.413 1.714 0 40 IDAB CSCC[C@@H](NC(=O)c1cccs1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 8743158 XELGBTYOVSOPIJ-OAHLLOKOSA-N 433.603 1.986 0 40 IDAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)NC1CCCCC1 9519773 JTGIUIGURBLWAY-UHFFFAOYSA-N 447.557 1.723 0 40 IDAB CCC(CO)(CO)N(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(OC)cc1 9630721 YLDGAUWHWAZXON-UHFFFAOYSA-N 445.516 1.716 0 40 IDAB CN(C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O)[C@@H]1CCS(=O)(=O)C1 9794947 VJANDOXKNSOQCY-VFNWGFHPSA-N 429.498 1.252 0 40 IDAB COc1ccccc1CC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 9984904 UBLTVFMHNZNIKQ-UHFFFAOYSA-N 431.514 1.762 0 40 IDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O 12631674 SWSHOUJNJUSDNU-GOSISDBHSA-N 426.448 1.776 0 40 IDAB Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 12715169 YEXLQYGFVHSWQS-OCCSQVGLSA-N 431.518 1.463 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)cc1 12776733 XAQKDCNTIZQWEW-UHFFFAOYSA-N 441.509 1.804 0 40 IDAB CN(Cc1c(F)cccc1Cl)C(=O)CN1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 12797466 NYAMDIWPLAXUQQ-AWEZNQCLSA-N 445.944 1.016 0 40 IDAB O=C1c2ccccc2S(=O)(=O)N1CCSc1n[nH]c(=O)n1CCc1ccccc1 12846005 HLEKZTGYTLFLMU-UHFFFAOYSA-N 430.511 1.751 0 40 IDAB Cc1ccc(-c2noc(CN3C(=O)N[C@](C)(c4cccc(-n5cnnn5)c4)C3=O)n2)cc1 13127141 JDANFYRJYFZNOL-OAQYLSRUSA-N 430.428 1.988 0 40 IDAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 14291878 OFWHXJQLURMSDN-UHFFFAOYSA-N 434.470 1.755 0 40 IDAB C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C[C@H](C)O1 20533327 KKAINDYLNWPYSC-KBPBESRZSA-N 431.924 1.745 0 40 IDAB CCOC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1cccs1 20559166 ODRAULWXMZZNTL-QGZVFWFLSA-N 428.518 1.531 0 40 IDAB CCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1cccc(C(=O)OC)c1 26540763 HOHBGYZWFLGSCH-UHFFFAOYSA-N 427.504 1.743 0 40 IDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC(C(=O)NCCCN2CCCC2)CC1 32928702 RBTVMDNQUXVFOH-HSZRJFAPSA-N 442.604 1.617 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 36357226 RCBZEYSHSQHZJN-RMKNXTFCSA-N 445.523 1.370 0 40 IDAB Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NC[C@@H]5CCCO5)nc34)n2)cc1 57503465 DIHXPRGMZHXFRD-INIZCTEOSA-N 434.456 1.817 0 40 IDAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C[C@H]3CCCO3)cc12 57640328 KWCPDZKWXUODDC-GOSISDBHSA-N 426.521 1.695 0 40 IDAB CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 72300957 CRKDBJSCTDINCF-OAGGEKHMSA-N 426.535 1.802 0 40 IDAB O=C(COc1coc(CN2CCOCC2)cc1=O)NC1CCN(Cc2ccccc2)CC1 72401901 JFAWHLBHUNDGFQ-UHFFFAOYSA-N 441.528 1.632 0 40 IDAB CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 95461859 SQDBXBYEVDRQAZ-KRWDZBQOSA-N 425.507 1.315 0 40 IDAB COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)c1 96096690 LLTUWDMKQJVVIQ-UHFFFAOYSA-N 436.578 1.396 0 40 IDAB COc1ccc(CN2C[C@H](C(=O)Nc3ccc4ncn(C)c(=O)c4c3)CC2=O)cc1OC 96223899 AWHKOHYQFUESCQ-OAHLLOKOSA-N 436.468 1.938 0 40 IDAB O=C(CN1CCC[C@@H]1c1nnc2ccccn12)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 105553525 FFORUPXOIIASJN-OKZBNKHCSA-N 447.561 1.061 0 40 IDAB CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(S(C)(=O)=O)cc1 219268044 OKOYQHVPLIBMGC-RDJZCZTQSA-N 431.580 1.176 0 40 IDAB O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 224454932 NECQULHRFHUHJR-UHFFFAOYSA-N 444.506 1.204 0 40 IDAB COC(=O)CSc1nnc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)s1 225536176 OIZSVKMEGUNPPT-UHFFFAOYSA-N 430.533 1.516 0 40 IDAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3ccc(F)cc3)C2)cs1 306135417 OQCKTFLHNDCUJC-NRFANRHFSA-N 427.505 1.905 0 40 IDAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)N1CCOCC1 408542577 JUPSCRJMAJZSAJ-UHFFFAOYSA-N 437.953 1.704 0 40 IDAB COc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1 575426743 ZEEJKIVRUQVNPO-HOTGVXAUSA-N 427.500 1.057 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5cccc(C)c5)C[C@H]4C3)ncnc21 1888944360 ABWZZWIPPBQKMI-CALCHBBNSA-N 442.545 1.538 0 40 IDAB CC1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@]3(C)CCS(=O)(=O)C3)c2)CC1 8601243 POOCUQZGKUTBDX-LJQANCHMSA-N 428.576 1.756 0 40 IDAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1ccncc1 9061003 QVJHBTMFVXHGLL-DOTOQJQBSA-N 448.520 1.443 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O 9292817 LTPJTHXITUXLBB-LBPRGKRZSA-N 431.880 1.901 0 40 IDAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)c1 9467934 FQGHUXUPDBPUEA-UHFFFAOYSA-N 444.488 1.074 0 40 IDAB O=C(Cn1cnc2c(nnn2-c2ccc(Br)cc2)c1=O)NC[C@H]1CCCO1 9517795 FLVPZOUGEVUQGV-CYBMUJFWSA-N 433.266 1.035 0 40 IDAB CCOc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 9570240 PJHLERAUXGFAAR-UHFFFAOYSA-N 447.557 1.732 0 40 IDAB Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@H]1CNC(=O)C(=O)NC1CCCCC1 9577655 BHZTYSGVSZXUFZ-SFHVURJKSA-N 441.525 1.436 0 40 IDAB COc1ccccc1CNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccccc1 9806093 RGRFKXMYZLQLRA-QGZVFWFLSA-N 431.514 1.281 0 40 IDAB Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cc1NC(=O)c1ccco1 9883578 JWDBFDUBVSEJSU-UHFFFAOYSA-N 445.453 1.809 0 40 IDAB Cc1ccnc(SCCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248816 LFOADGMAHAXASB-UHFFFAOYSA-N 429.550 1.940 0 40 IDAB Cc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)no1 11279979 COSSQTNEUKVXLV-KBPBESRZSA-N 446.485 1.714 0 40 IDAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCCc2c1cnn2C 12974638 XGEDWBRVRMTMJQ-OXJNMPFZSA-N 448.545 1.688 0 40 IDAB Cc1ccc2nc(C)c(Cc3nnc(SCC(=O)NC[C@H]4CCCO4)n3C)c(=O)n2c1 15859198 IAHPPZBPFDHCLH-OAHLLOKOSA-N 442.545 1.418 0 40 IDAB COc1ccc([C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285460 IUTYZXNRQHVAQO-ORYQWCPZSA-N 440.544 1.765 0 40 IDAB Nc1c(C(=O)[C@H]2CCN(C(=O)COCCN3CCCC3=O)C2)cnn1-c1ccccc1 19374455 UETJNHFKGMUIBG-INIZCTEOSA-N 425.489 1.125 0 40 IDAB Cc1sc2ncn(CC3(O)CCN(C(=O)[C@H](C)N4CCOCC4)CC3)c(=O)c2c1C 19561302 ONMSVKKLTLHHJN-HNNXBMFYSA-N 434.562 1.149 0 40 IDAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CC[C@@H]3CCCO3)[nH]c2=O)C1 19572877 PVZLAHXYMQDJPO-YOEHRIQHSA-N 438.550 1.100 0 40 IDAB COc1ccc(CCNC(=O)c2ccc3c(=O)n4c(nc3c2)CCN(C)CC4)cc1OC 19590763 BPDHXZNJMBASLE-UHFFFAOYSA-N 436.512 1.874 0 40 IDAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)CCN3CCOCC3)nc(N(C)C)c2C1 19710255 FFPKMLNWIXNASQ-HXUWFJFHSA-N 444.580 1.223 0 40 IDAB CC(=O)NCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)C3)C1 19743888 CTNLHBMTQIWGQO-KRWDZBQOSA-N 439.491 1.856 0 40 IDAB Cn1c(=O)c2c(C(F)(F)F)cc(C3CCN(C(=O)[C@H]4CCCO4)CC3)nc2n(C)c1=O 19744823 JMTAQDBMLCTVEX-CQSZACIVSA-N 440.422 1.536 0 40 IDAB CCOC(=O)c1c(N)/c(=C\c2ccco2)c2n1C(=O)[C@@H](c1ccco1)SC=2C(=O)OC 20029222 GFSRMWVBCSPMFF-DPCFLFMUSA-N 442.449 1.671 0 40 IDAB COc1cc(OC)cc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 22733066 VCEFSOPDVFODHL-UHFFFAOYSA-N 447.557 1.749 0 40 IDAB Cc1cc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)ccc1-n1cnnn1 28896043 OXLIZCHFQRQWQD-KRWDZBQOSA-N 443.533 1.416 0 40 IDAB CC(=O)N1c2ccc(S(=O)(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)cc2C[C@@H]1C 32869172 MTHJBYFAVDVMMB-STQMWFEESA-N 449.554 1.771 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 32885646 CPSWBMRVZVFSFT-UHFFFAOYSA-N 434.484 1.811 0 40 IDAB COc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)cc1S(=O)(=O)N1CCCCC1 32912422 ZISXPWABKYSCAZ-DZGCQCFKSA-N 428.532 1.020 0 40 IDAB Cc1ccc2c(c1)[C@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 35363886 FJRWKXNZDUURGR-MAVLCVCESA-N 449.463 1.025 0 40 IDAB biogenic CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)o2)cc1 35590102 WSNCXOAOPHUECH-CYBMUJFWSA-N 442.519 1.140 0 40 IDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 36762942 NTJCLGUHVPHZST-GOSISDBHSA-N 439.545 1.827 0 40 IDAB O=C(Nc1cccc(OCC(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)c1)C1CC1 70019544 QSAOMDNOZZQBHT-CQSZACIVSA-N 431.436 1.994 0 40 IDAB COc1nc(C)c(CC(=O)N2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)c(OC)n1 72393315 PYUGEYCXFJIDFP-UHFFFAOYSA-N 440.500 1.837 0 40 IDAB COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@@](O)(Cc2ccc(O)cc2)C(=O)O)cc1O 222491879 WBGMKAAMRFEBHK-USUZYHNNSA-N 432.381 1.174 0 40 IDAB biogenic,in-vitro Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)CN(C)S(C)(=O)=O)cc1 222739341 LRGGYRHEVDKKGK-GOSISDBHSA-N 431.558 1.920 0 40 IDAB CC(=O)N[C@H]1C[C@@H](C(=O)O)N(CC(=O)NCCOc2ccccc2)[C@H]1c1ccccc1 257266600 MDRBBORQXFVBEW-ONTIZHBOSA-N 425.485 1.587 0 40 IDAB CCn1c(CCCC(=O)N2CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)nc2ccccc21 257282331 OTIAPIWZBNWGDK-VXKWHMMOSA-N 427.593 1.978 0 40 IDAB CN(C)CC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 257297076 RFSFNSKJSFOJIS-PXNSSMCTSA-N 436.984 1.662 0 40 IDAB COC(=O)c1ccc(S(=O)(=O)N2CCC(n3c(O)nc4ncccc4c3=O)CC2)cc1 390831810 VEABYHYVHWHVQA-UHFFFAOYSA-N 444.469 1.310 0 40 IDAB O=C(CCc1nc(O)c2ccccc2n1)NCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 524731560 BSQQUWMOHZIHOC-DLBZAZTESA-N 433.512 1.665 0 40 IDAB CN1CCCCN(C(=O)CNS(C)(=O)=O)CCCOc2ccc(Cl)cc2C1=O 643558691 UEGTZFNPEKTACE-UHFFFAOYSA-N 431.942 1.353 0 40 IDAB COc1cc2ncn([C@@H]3[C@@H](O)[C@H](NCc4ccncc4Cl)[C@H]4CO[C@@H]3O4)c2cc1OC 952844881 QOUSLLBKTOMRJA-SSSFQFABSA-N 446.891 1.917 0 40 IDAB biogenic,in-vitro Cn1c(=O)oc2ccc(S(=O)(=O)N3CC(n4nc(-c5ccccc5)ccc4=O)C3)cc21 1775972438 GFUBGGXJCQRYTA-UHFFFAOYSA-N 438.465 1.601 0 40 IDAB CN(C)C(=O)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1(F)CCOCC1)C2 2056226750 ZBBQXANIVIZGNI-HSZRJFAPSA-N 441.507 1.727 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2ccccc2Br)cc1 3281380 SJGYZXDPNVJKKP-UHFFFAOYSA-N 442.360 1.944 0 40 IDAB COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@]1(O)C(=O)OC[C@@]1(O)C2 4720837 DPEYSAOEFZKBPG-WTIAFYNJSA-N 446.452 1.437 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)c(C)c1-n1cnnn1 6198233 GGJHTJXLORHYON-MRXNPFEDSA-N 433.465 1.701 0 40 IDAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1cccnc1 9061118 WCLXDMXPPXLNJI-WMZOPIPTSA-N 430.530 1.303 0 40 IDAB C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1CCCC1 9339524 BUVGJSIUAVNLDN-CYBMUJFWSA-N 428.482 1.451 0 40 IDAB CN(C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O)[C@@H]1CCS(=O)(=O)C1 9794952 VJANDOXKNSOQCY-QVKFZJNVSA-N 429.498 1.252 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCC(C)CC3)CC1)CNC2=O 12086676 KGMYEBDECRJEAL-QHCPKHFHSA-N 429.517 1.827 0 40 IDAB COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2CCc2ccccc2)n(C)c1=O 12231828 ZVDQAXXBXRTRHK-UHFFFAOYSA-N 436.472 1.115 0 40 IDAB O=C(COC(=O)CCCOc1cccc(Br)c1)N[C@H]1CCS(=O)(=O)C1 12858529 DREHISOCYHHJJM-ZDUSSCGKSA-N 434.308 1.455 0 40 IDAB C[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O 13098116 ROTKDYMXIFJLOU-QFIPXVFZSA-N 442.541 1.559 0 40 IDAB COc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)NCCc1ccccc1 13581965 COYVBIINSAOTAE-UHFFFAOYSA-N 447.557 1.278 0 40 IDAB C[C@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 14135411 MMEJCLBULUBJBT-CWRNSKLLSA-N 428.441 1.669 0 40 IDAB COc1ccccc1C1=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2S(=O)(=O)N1 15682408 OMFFLALBBRRRJL-UHFFFAOYSA-N 437.499 1.086 0 40 IDAB COc1ccc(S(=O)(=O)NCC(=O)N2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)cc1 19130415 DKDZIFHFMZASMF-KBXCAEBGSA-N 441.513 1.613 0 40 IDAB COCCC(=O)N1CCC[C@H](c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)C1 19743298 ASSUYMKTOHMMDY-NSHDSACASA-N 428.411 1.394 0 40 IDAB COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566865 NKZXHBWKHXAHSY-CMCWBKRRSA-N 435.480 1.392 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)CSc2nnnn2Cc2cccs2)s1 21761724 ICINTHSPOOPLHD-UHFFFAOYSA-N 443.601 1.911 0 40 IDAB C[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22335456 NLAXHGAGPJSXLG-CYBMUJFWSA-N 428.507 1.873 0 40 IDAB Cc1c(Cl)cccc1NC(=O)Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O 49409369 HTYXLHKRUSJXJA-UHFFFAOYSA-N 425.894 1.470 0 40 IDAB CCOc1ccc(NC(=O)[C@H]2CSCN2C(C)=O)cc1S(=O)(=O)N1CCCC1 58168042 JFFLCRYBCYYHIK-OAHLLOKOSA-N 427.548 1.730 0 40 IDAB O=C1N[C@]2(COc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)NC[C@H]1CCCO1 72334430 ZHMMOKRGUCBQTB-QVNIBDNGSA-N 435.524 1.975 0 40 IDAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)N(C)S(=O)(=O)N1 72335128 MHMVLTNLGWFNME-CABCVRRESA-N 431.440 1.966 0 40 IDAB CNC(=O)Cn1nnn(-c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)c1=O 77100207 AQBOHTNMWULHCP-UHFFFAOYSA-N 444.879 1.625 0 40 IDAB CNC(=O)CN1Cc2c(C(=O)N3CCCC[C@@H]3C)ncn2-c2ccccc2S1(=O)=O 96147492 BZXAOSLQBFIKJA-AWEZNQCLSA-N 431.518 1.137 0 40 IDAB CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 100773376 SEHBEXPIHLFLJI-JSJNYSNDSA-N 447.601 1.946 0 40 IDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 102216432 DUBQOIFSALCGIN-JTDSTZFVSA-N 438.546 1.805 0 40 IDAB CC(=O)N(C)[C@H]1CC2(CCN(C(=O)CN3Cc4ccccc4C3=O)CC2)OC[C@]1(C)O 257247632 IZVVHPDGZNDPFR-UGKGYDQZSA-N 429.517 1.022 0 40 IDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C1=O 409209543 CHEPZLYZKUPFSL-QPEQYQDCSA-N 428.850 1.602 0 40 IDAB O=C(NCC(F)(F)F)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccnc(N3CCOCC3)c2)C1 585108693 APVZHGJJZWXDEU-GVDBMIGSSA-N 428.455 1.576 0 40 IDAB CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)[C@H](C)N1Cc2ccccc2C1=O 604406373 SSKVAUMUZWCCHB-LIRRHRJNSA-N 437.496 1.748 0 40 IDAB biogenic Cc1ncnc(C(=O)NC[C@@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)c1C 1614941181 ULSXPYQFXJSHHY-KRWDZBQOSA-N 434.500 1.628 0 40 IDAB CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)O 2115592 FYEFTAXZMDGBPL-ZSEKCTLFSA-N 444.484 1.701 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 2617289 FZBDPNNTWILNBA-UHFFFAOYSA-N 431.470 1.144 0 40 IDAB O=C(O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 4915448 XLUMOZQZGPJGTL-QZTJIDSGSA-N 444.440 1.664 0 40 IDAB O=c1/c(=C/c2ccccn2)sc2n1CN(c1ccc(I)cc1)CN=2 9109966 JTMGETZZLAKNBQ-DHDCSXOGSA-N 448.289 1.793 0 40 IDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(C3CCCCC3)n2N)C1=O 9127345 OLNJQCLGZYYSPC-HXUWFJFHSA-N 443.533 1.630 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2ccc3c(c2)OCCO3)cc1 9244402 FUJWNNGTROPWIS-UHFFFAOYSA-N 436.511 1.757 0 40 IDAB Nn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1C1CCCCC1 9442729 WSTAKWHTSXQYJN-UHFFFAOYSA-N 438.579 1.138 0 40 IDAB O=S(=O)(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 9570275 DVVBRXSBYUXWNI-UHFFFAOYSA-N 445.513 1.395 0 40 IDAB CN(C(=O)COC(=O)c1ccccc1I)[C@H]1CCS(=O)(=O)C1 9612640 KNVAKBYQAGPSEM-JTQLQIEISA-N 437.255 1.094 0 40 IDAB CSc1nc2nc(C)c(CC(=O)NCc3cccc(NS(C)(=O)=O)c3)c(C)n2n1 10548831 TUPXGLLZMULATK-UHFFFAOYSA-N 434.547 1.693 0 40 IDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2n1CC 11421437 KIDCQHGVOIBYFJ-CQSZACIVSA-N 438.575 1.300 0 40 IDAB COCCN(CCOC)C(=O)CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCN12 12086106 ZALWOKMFXAVMAW-UHFFFAOYSA-N 449.983 1.741 0 40 IDAB C[C@@H](C(=O)NCCCN1CCCC1=O)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 12086364 VKRTZIBLCCPPAL-BXKMTCNYSA-N 441.528 1.920 0 40 IDAB Cn1nc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c2ccccc2c1=O 12781396 RNAHGOMYZIQJLZ-LJQANCHMSA-N 434.452 1.058 0 40 IDAB O=C(CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)NCc1ccccc1Cl 12816764 JXOVMOPHWQMMRL-HXUWFJFHSA-N 429.904 1.940 0 40 IDAB COc1ccc(Cn2nnnc2SCC(=O)N2CCN(c3ccccn3)CC2)cc1 13127507 FTQHNGDOIDVRRZ-UHFFFAOYSA-N 425.518 1.566 0 40 IDAB O=C1NCCN(C(=O)CCc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164454 KQYQMTAMRFCRBF-JOCHJYFZSA-N 434.540 1.685 0 40 IDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)o1 20745338 NWRLGUSJHJRCGV-AWEZNQCLSA-N 434.290 1.937 0 40 IDAB CCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 20768635 UJOCNWOHJSXAJZ-UHFFFAOYSA-N 441.531 1.984 0 40 IDAB COc1ccc(NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)cc1 21278938 YXYRPBGTKFZDFW-UHFFFAOYSA-N 449.485 1.482 0 40 IDAB COCCNC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 22781959 WQWDZPGCKVBRHU-UHFFFAOYSA-N 446.548 1.437 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc1 22971458 ZXRPCFGSUQALEC-KRWDZBQOSA-N 439.559 1.606 0 40 IDAB CC(C)(Sc1nnnn1-c1ccccc1)C(=O)Nc1nnc(SCC(N)=O)s1 30831869 GEUZVKAJHIDTQD-UHFFFAOYSA-N 436.548 1.601 0 40 IDAB COC(=O)C[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(OC)c(OC)c1 31494506 LULKZMNVJYXXRK-INIZCTEOSA-N 425.441 1.985 0 40 IDAB COc1ccc(CNC(=O)C(=O)Nc2ccc(OC)c(N3CCCCS3(=O)=O)c2)cc1 36359956 OSVIROAHNQVUHZ-UHFFFAOYSA-N 447.513 1.889 0 40 IDAB COCc1nn2c(nnc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccccc1 40391336 WLYMVESDTJLVIA-UHFFFAOYSA-N 434.500 1.975 0 40 IDAB CCc1noc(CCC(=O)N2CCC[C@H](c3ccc(C(=O)N4CCN(C)CC4)cn3)C2)n1 72345755 ZYRRFYDLKORJKP-SFHVURJKSA-N 440.548 1.753 0 40 IDAB CN1c2ncccc2C(=O)NC12CCN(C(=O)CCN1C(=O)[C@H]3CCCC[C@H]3C1=O)CC2 100167896 YAMTWQLZICAOOR-IYBDPMFKSA-N 439.516 1.145 0 40 IDAB Cc1cc(C)c2c(c1)[C@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 105379586 RPQFRVHPUSVADI-VBKCDYCISA-N 433.508 1.647 0 40 IDAB biogenic CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1 224324448 GKSJCRUKHTYPLU-UHFFFAOYSA-N 433.534 1.223 0 40 IDAB O=C1CCCN1Cc1cn(C2CN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)nn1 225633834 AGZWAQIWKMCQPH-UHFFFAOYSA-N 429.424 1.665 0 40 IDAB Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225975095 JKAQWQDNUNOJNT-UHFFFAOYSA-N 439.559 1.028 0 40 IDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC1)C2=O 257215704 CRGYLHCGFZAQBR-QZTJIDSGSA-N 444.576 1.983 0 40 IDAB CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H]1C[C@H](O)[C@H](O)[C@H]1n1ccc(O)nc1=O 257248940 JFWWAYRBTSJMHG-CAMMJAKZSA-N 431.489 1.669 0 40 IDAB CN1CCN(S(C)(=O)=O)C[C@H]1c1nnc2ccc(C(=O)NCCc3cccs3)cn12 306123256 AIOUMEVNPOPMPY-INIZCTEOSA-N 448.574 1.011 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCN3CCOCC3)C2)c(C)c1 408591148 JCKWIORBXOLDPP-HXUWFJFHSA-N 437.606 1.851 0 40 IDAB CCN1CCN([C@H]2CCN(c3nnc(-c4ccccn4)n3C[C@@H](COC)OC)C2)CC1 1547725342 WKUHQVDTVVKGPS-OALUTQOASA-N 429.569 1.218 0 40 IDAB O=C(Cn1cnc2ccccc21)N1CCN2C(=O)OC3(CN(c4ccc(F)cn4)C3)[C@H]2C1 1549161495 LJLVRDOFKAIHNF-GOSISDBHSA-N 436.447 1.492 0 40 IDAB Cc1ccsc1S(=O)(=O)N1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 2055795964 AQCXVLLIRBLCER-IBGZPJMESA-N 436.559 1.546 0 40 IDAB COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)O)c(C(=O)OC)c1C 3296773 YTJKBBDBJDDGEQ-MRVPVSSYSA-N 425.506 1.114 0 40 IDAB COc1ccc([C@H]2c3cc4c(cc3O[C@@](O)(CO)[C@@H]2C(=O)O)OCO4)c(OC)c1OC 5809666 PCTHWZMPAXEOPM-FIKGOQFSSA-N 434.397 1.347 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(C(=S)NC2CCCCC2)CC1 6949567 FGWIVGNVSMBGRC-UHFFFAOYSA-N 425.576 1.971 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccc(OC)cc1 9183795 GYCCIRBUWKNYKX-QZTJIDSGSA-N 438.488 1.014 0 40 IDAB COc1ccc(CCNC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 9806070 HDTLLQKFDDJEBI-SFHVURJKSA-N 445.541 1.323 0 40 IDAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc(C)cc2)cc1 10283783 ZERAKGMPMXZIRX-UHFFFAOYSA-N 431.514 1.500 0 40 IDAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 11583935 UTDFQUARVNHCHZ-LJQANCHMSA-N 437.424 1.774 0 40 IDAB O=C(COc1ccc(F)cc1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1 11796085 NQJRLRFEMFJZJJ-UHFFFAOYSA-N 435.521 1.863 0 40 IDAB COc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 12727435 MZQVRKCLPLLKHD-UHFFFAOYSA-N 435.502 1.775 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc(Cl)nc3nc[nH]c23)cc1 13552748 CGAMGOFNPICWRN-UHFFFAOYSA-N 426.911 1.105 0 40 IDAB CNC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)[C@H]13 13561504 BHFZYJRIBUYLBS-JTJFMMGNSA-N 429.542 1.594 0 40 IDAB CCOc1ccccc1N(CC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccc(C)cc1 13649776 WTOHBARFGQFZBT-UHFFFAOYSA-N 445.541 1.890 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1n[nH]c(=O)c2ccccc12 15702819 HDNZUVVCFVXFLL-UHFFFAOYSA-N 442.497 1.434 0 40 IDAB Cc1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1 19201006 LVEPOBSQIZVTCD-UHFFFAOYSA-N 436.516 1.147 0 40 IDAB CN1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccccc4)CC3)n2)CC1 19590134 KYKVAGJGTAWALC-UHFFFAOYSA-N 443.573 1.652 0 40 IDAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N[C@H](c1ccccc1)c1cccs1 22920091 GNAJRYCDMFBJJX-WIYYLYMNSA-N 433.599 1.758 0 40 IDAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 24877646 CSDAWNWYVKWDSW-QFIPXVFZSA-N 439.424 1.678 0 40 IDAB NC(=O)COc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)cc1 28256442 JACHCGLBRHABOR-UHFFFAOYSA-N 429.248 1.812 0 40 IDAB O=C(OCC(=O)N1CCc2ccccc21)C1CCN(S(=O)(=O)c2cccnc2)CC1 32814971 IRFBPSFVSUZFLL-UHFFFAOYSA-N 429.498 1.615 0 40 IDAB CCOC(=O)CN1CCN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 33519512 GQHGOGSVFIIZMV-UHFFFAOYSA-N 437.496 1.923 0 40 IDAB CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C3CC3)c3nn(CC(=O)NC(C)C)c(=O)n3c2c1 38486851 HXTXPILRMFHPGW-CYBMUJFWSA-N 440.504 1.199 0 40 IDAB CN1CCN(C(=O)c2ccc(C3CCN(C(=O)COC[C@H]4CCCO4)CC3)nc2)CC1 72374412 TXJAONUBGDCQEB-HXUWFJFHSA-N 430.549 1.371 0 40 IDAB Cc1nnnn1-c1cccc(NC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 84297427 GNXMZWBATIJEBS-UHFFFAOYSA-N 426.525 1.379 0 40 IDAB CCCN(CC)C(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2 96266281 GDMIYZXXOKNTAB-UHFFFAOYSA-N 433.534 1.337 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H](c2ccccc2)c2sc(=O)[nH]c2S[C@H]31 100531342 GBYMFODZINXBOP-BDPQLWMOSA-N 442.518 1.994 0 40 IDAB CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 219270992 YRQLESFCXOYCSB-QGZVFWFLSA-N 428.470 1.922 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)CC1 220614701 INHHTNLVPBFUGF-KRWDZBQOSA-N 427.523 1.541 0 40 IDAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 222970204 QOARKYUWQSACFU-INIZCTEOSA-N 427.567 1.610 0 40 IDAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225199996 JJUYITLGRBWJLC-OAHLLOKOSA-N 447.513 1.345 0 40 IDAB COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccccc4)C3)C2=O)cc1 225395450 LXKYPWJWVJEOPS-RTWAWAEBSA-N 449.507 1.032 0 40 IDAB biogenic,in-vitro CCN(CC(=O)Nc1cc(S(=O)(=O)NC)ccc1C)S(=O)(=O)c1ccc(F)cc1 226056566 RQJDZAAXQHSKNS-UHFFFAOYSA-N 443.522 1.692 0 40 IDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O 252394295 FNBLRADOWVNAIT-BBWFWOEESA-N 440.585 1.933 0 40 IDAB NC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1 408555808 GLTCWPNKFFNQEA-LJQANCHMSA-N 429.542 1.964 0 40 IDAB O=C(NCc1ccccn1)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408709449 AAUKNHPWIHAFDP-UHFFFAOYSA-N 432.436 1.995 0 40 IDAB O=C(NCCn1nc(-c2cccs2)ccc1=O)C1CN(c2cc(-n3ccnc3)ncn2)C1 575608116 DNVVMPVMNMYYKR-UHFFFAOYSA-N 448.512 1.200 0 40 IDAB CCn1nc(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C 575616607 SUTMGMBUKPGXLO-UHFFFAOYSA-N 436.460 1.460 0 40 IDAB COCCN1C(=O)CN(C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)C1=O 824411969 RNUCPUNTCTZDCB-UHFFFAOYSA-N 429.926 1.545 0 40 IDAB CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O 1636010082 ULRWFLPOCKJCFV-HZPDHXFCSA-N 426.945 1.698 0 40 IDAB CN(C)[S@@](C)(=O)=NCC1CCN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 1655055761 SPJCVLIAASMOHL-VKGTZQKMSA-N 431.624 1.584 0 40 IDAB NC(=O)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2)CC1 1750400677 NQPADDRNAUPLDK-UHFFFAOYSA-N 428.512 1.988 0 40 IDAB CC(C)C[C@H](NC(=O)c1ccccc1OC[C@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)O 2037879898 WDCBZTXFEYEFFH-NJAFHUGGSA-N 437.537 1.145 0 40 IDAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCC1 859431 PBFURKMOUOWFGW-ICSRJNTNSA-N 442.578 1.580 0 40 IDAB O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1ccco1 2237522 DKBOEFCISTZZHZ-QGZVFWFLSA-N 438.293 1.398 0 40 IDAB CSCC[C@@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 3874395 PRQROPMIIGLWRP-SQNIBIBYSA-N 437.562 1.197 0 40 IDAB in-vitro CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1ccccc1-c1ccccc1 4195456 JLXWZBWIENDDRY-GOSISDBHSA-N 430.526 1.884 0 40 IDAB COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc2c(c1)OCCO2 8995122 RKSLITNJSZNTIP-UHFFFAOYSA-N 442.472 1.367 0 40 IDAB Cc1c(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9306846 XKXWPWPPCOORKR-DLBZAZTESA-N 447.509 1.962 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 9418511 NVSSUVKNMCYNLD-MRXNPFEDSA-N 439.534 1.397 0 40 IDAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1cccc(-n2cnnn2)c1 9465307 GRBRMPWJTMWYEQ-UHFFFAOYSA-N 429.458 1.427 0 40 IDAB CN(CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)Cc1cccc(Cl)c1 9509422 AZVFTEDPBXYNME-UHFFFAOYSA-N 441.919 1.915 0 40 IDAB COc1ccc(N2C[C@H](NC(=O)NC[C@H]3COc4ccccc4O3)CC2=O)cc1OC 9568855 BRMBBUSAHZTZOL-ZBFHGGJFSA-N 427.457 1.948 0 40 IDAB COc1ccc(CCNS(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)cc1OC 10188101 JWFPHHBYGNCYTL-UHFFFAOYSA-N 436.486 1.324 0 40 IDAB C[C@H](C(=O)NCCCN1CCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 10279806 OPNCDLRKRSEPGJ-MRXNPFEDSA-N 425.551 1.605 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 12738459 OVPQVBJXCRDQIR-ROUUACIJSA-N 429.608 1.914 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 13000247 VXFDTTLXJUWSCU-IBGZPJMESA-N 444.575 1.567 0 40 IDAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 13005980 ZEQKHXOJEOQZCB-UHFFFAOYSA-N 425.397 1.974 0 40 IDAB C[C@H](N[C@H]1CCS(=O)(=O)C1)C(=O)N(C)Cc1nc(C2CC2)ncc1-c1ccccn1 19077460 INQWAPWCJAPJKZ-HOCLYGCPSA-N 429.546 1.540 0 40 IDAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)n1 19573371 KACZEKDXDGZNPX-IBGZPJMESA-N 438.532 1.632 0 40 IDAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCO)C(=S)NCCCN3CCOCC3)cc12 19824057 WHCMAFOBQZGDQK-UHFFFAOYSA-N 432.590 1.536 0 40 IDAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(Cc3ccncc3)CC1)C2=O 23653568 NOHZOGBJXRYYRJ-GAJHUEQPSA-N 427.549 1.863 0 40 IDAB COc1cccc(-n2cnnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 23818729 HXVAMIWVYNGZBF-UHFFFAOYSA-N 430.490 1.654 0 40 IDAB Cc1cc(C)c2c(c1)[C@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 35363877 RPQFRVHPUSVADI-LCKXGBKKSA-N 433.508 1.647 0 40 IDAB biogenic COc1ccccc1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O 40478068 DNFIEGDWGURKCR-UHFFFAOYSA-N 426.383 1.962 0 40 IDAB CC1=NN(c2ccc(C(=O)N3CCN(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)CC3)cc2)CC1 48262642 LMEIHNGPXSYQSU-HDICACEKSA-N 449.577 1.384 0 40 IDAB O=C(NC[C@@H]1CCCO1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945552 SLGBFKGBWPQNEW-VQTJNVASSA-N 444.507 1.693 0 40 IDAB COc1ccc(-c2nnc(SCC(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)o2)cc1 58011007 ZKRJYFBMXABLSF-UHFFFAOYSA-N 447.517 1.033 0 40 IDAB CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)CC1 58064337 XEJHHFYBXDYRAK-LJQANCHMSA-N 440.566 1.441 0 40 IDAB COc1cccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)N(C)C)c1 72297089 RKKJEOZYYUDDKO-HXUWFJFHSA-N 447.557 1.590 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC[S@@](=O)C[C@@H]1C 78969402 QHIUIWQFQJNHFO-OQRWROFFSA-N 427.592 1.561 0 40 IDAB CC(C)NC(=O)CSc1ccccc1C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 95430113 WDPDZTQQUCOWPI-OAHLLOKOSA-N 427.592 1.846 0 40 IDAB COc1ccc(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c(OC)c1OC 219665330 SOIPRRVZFVYWFI-UHFFFAOYSA-N 434.470 1.563 0 40 IDAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 222850286 GVIWVOCXWXWVOW-AWEZNQCLSA-N 445.497 1.003 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1C 224333287 MRWSXNARHOCXCD-UHFFFAOYSA-N 431.562 1.749 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCCCN1CCOCC1 225211167 YPYUVJVNGWATOJ-UHFFFAOYSA-N 442.607 1.488 0 40 IDAB COc1cc(CNC[C@]2(O)CCCN(c3ncccn3)C2)ccc1OCCCN(C)C 257204220 ATPFEYLNMLBXBG-HSZRJFAPSA-N 429.565 1.937 0 40 IDAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(CC(=O)Nc1ccc(OC)cc1)CC2 257244347 IKWXMSFHSXBOHC-MRXNPFEDSA-N 438.532 1.860 0 40 IDAB COCCn1cnc2cc(C(=O)N3CC[C@@](C)(O)[C@H](n4cc(C)c(O)nc4=O)C3)ccc21 257271545 MYTBXGRGLLVMKB-XMSQKQJNSA-N 441.488 1.092 0 40 IDAB Cc1nc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@]42CCN(CC3CC3)C2)cs1 306131107 JWRMORQXHRUCAI-QFIPXVFZSA-N 425.558 1.964 0 40 IDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2ccc4c(c2)COC4)C3)n1 306138432 RXJVUKFMYBVNAB-SFHVURJKSA-N 429.498 1.524 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O 575422156 MOTQHNFBMIJGIB-DLBZAZTESA-N 425.528 1.352 0 40 IDAB COCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc3ccccc23)c(=O)n1C 8725395 KZUWMMKKXBRFEQ-UHFFFAOYSA-N 432.484 1.941 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)NCCc1cccc(F)c1)c(=O)n2Cc1ccccc1 9315086 HHTIGPFWCRIPNS-UHFFFAOYSA-N 449.486 1.926 0 40 IDAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 9354704 HXXOSWKEWJKHTR-UHFFFAOYSA-N 436.486 1.951 0 40 IDAB Cn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NS(=O)(=O)c3ccc(F)cc3)cc21 9686037 CCFPSVXDHAEBNB-UHFFFAOYSA-N 432.477 1.777 0 40 IDAB COC[C@@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 10219920 QYZKQIQVNPTOPG-SNVBAGLBSA-N 426.882 1.044 0 40 IDAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@H]4CC(=O)N(Cc5cccnc5)C4)C3)cc2n1 12088728 KBQIKJBZLNKRSP-MSOLQXFVSA-N 434.500 1.893 0 40 IDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089446 DCQCCBHDMYQDSO-OAQYLSRUSA-N 431.562 1.938 0 40 IDAB COC(=O)COc1ccc(OC)c(NC(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 12428033 XLLTVTKOEZBHCS-UHFFFAOYSA-N 427.413 1.050 0 40 IDAB Nc1ncnc2sc3c(c12)CCN(C(=O)CCNS(=O)(=O)c1ccccc1F)C3 12606113 YUEDOBDGNAENJE-UHFFFAOYSA-N 435.506 1.666 0 40 IDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 12614850 AVMZOMBVWHEDAG-UHFFFAOYSA-N 442.497 1.803 0 40 IDAB Cc1cccc(C(=O)NCCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 12868585 ZWBQFFWXHFCGHC-UHFFFAOYSA-N 431.514 1.775 0 40 IDAB C[C@@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 17599051 YRQNBVZTKRCCBF-OAHLLOKOSA-N 446.504 1.504 0 40 IDAB Cc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 19209478 SRYUOWQPXMCILB-QGZVFWFLSA-N 444.557 1.345 0 40 IDAB COc1ccc([C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285468 BXNNADCYTWEYGX-ZYSHUDEJSA-N 445.541 1.621 0 40 IDAB Cc1nc([C@@H]2CCN(C(=O)c3[nH]nc4c3CCCCC4)C2)ncc1C(=O)N1CCOCC1 19757701 OFKPGVQJENHXNQ-MRXNPFEDSA-N 438.532 1.879 0 40 IDAB CCOC(=O)[C@@H](N)CS[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O 19814817 NXQCKDNMDMGVKK-RYUDHWBXSA-N 448.282 1.547 0 40 IDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 23624041 PEGSJLZIVILYCL-UHFFFAOYSA-N 444.513 1.933 0 40 IDAB COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccc3c(c2)OCO3)c1 26912294 MUVXOBXEVGWIPH-UHFFFAOYSA-N 440.905 1.966 0 40 IDAB Cn1c(=O)n(CC(=O)N2CCC(c3ccccc3)=N2)c(=O)c2ccc(C(F)(F)F)nc21 31451878 CHDRMPIREPKJAN-UHFFFAOYSA-N 431.374 1.751 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)NCCc2csc3nc(-c4cccs4)nn23)CC1 38669691 FBHGSQNUDIVDLT-UHFFFAOYSA-N 439.588 1.850 0 40 IDAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 40072446 DONFSMQVLUPKAD-OAGGEKHMSA-N 428.530 1.124 0 40 IDAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)C(=O)NC[C@H]1CCCO1 56945816 LJDJQLAOZDDMDU-XLIONFOSSA-N 444.507 1.693 0 40 IDAB Cc1ccc(N2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c(C)c1 71281609 XNMBSEZWRSMYAK-QGZVFWFLSA-N 432.546 1.118 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 72348181 XVKVKVLNUFEPFY-UHFFFAOYSA-N 447.561 1.137 0 40 IDAB Cc1n[nH]c(=S)n1CCNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 95404451 MAXXQNYEBCZABL-UHFFFAOYSA-N 433.353 1.743 0 40 IDAB CCCS(=O)(=O)N1CCC2(CC1)C(=O)N(c1cnn(C)c1)CCN2Cc1ccccc1 96230358 XYPJXMJALFOYGW-UHFFFAOYSA-N 445.589 1.843 0 40 IDAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 96377883 YFVBWHSODSRSDH-UHFFFAOYSA-N 438.527 1.244 0 40 IDAB CCN1/C(=c2/s/c(=C3\C(=O)N(C)C(=S)N3C)n(CC)c2=O)C=Cc2ccccc21 100636879 QUCYCYKFPZKCPA-XBTKLTQZSA-N 426.567 1.388 0 40 IDAB NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 106014677 RFKOLPRGCFYIKK-ONFVETCGSA-N 440.459 1.640 0 40 IDAB COc1ccccc1N1CCN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)CC1 219431144 JFNSUSPRPSSBIR-UHFFFAOYSA-N 443.525 1.969 0 40 IDAB COc1cc(N(CC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)c(OC)cc1Cl 220057374 JPKJPPWKTVFPIJ-UHFFFAOYSA-N 441.893 1.861 0 40 IDAB Cc1n[nH]c(SCCNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)n1 222769594 PJQRDNRSILFAMR-UHFFFAOYSA-N 427.552 1.396 0 40 IDAB COc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 224100165 ZDPJVRVFLHQPTG-UHFFFAOYSA-N 434.514 1.833 0 40 IDAB O=C(NC1CC1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(Cc1ccccc1)[C@H]3C(=O)NC1CCCC1 245230834 ZWWNKLNYFSHSJN-RPMNLZPZSA-N 435.524 1.675 0 40 IDAB C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@]21C[C@H]2C(=O)N(C)[C@@H](O1)c1nc3ccccc3c(=O)n12 247722436 BOZGEGDMHAOPIQ-ILGQKIMSSA-N 443.463 1.388 0 40 IDAB biogenic,in-vitro O=C(O)COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCC(F)(F)CC1 257233271 GOONAOXEAHLNNA-MDUILUSMSA-N 446.422 1.023 0 40 IDAB CC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]2C1 257319100 VQSPFVHAIDMMQL-JDNANXKCSA-N 429.517 1.532 0 40 IDAB Cc1nc(CN2CC[C@@]3(CN(C(=O)c4ccnn4C)C[C@H]3c3cn(C)cn3)C2=O)cs1 306138809 SHYBQIBLPFIMKM-KKSFZXQISA-N 439.545 1.577 0 40 IDAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 408603523 KOEQSUSCROYAJY-QGZVFWFLSA-N 427.567 1.227 0 40 IDAB CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 515631371 VZNTUGBTWYFJSA-OAHLLOKOSA-N 445.497 1.556 0 40 IDAB O=S1(=O)C[C@H](O)[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cccc3cccnc23)C1 575426026 KYPFHWXKYCFZBU-ROUUACIJSA-N 432.523 1.584 0 40 IDAB O=C(NC[C@]1(O)CN(Cc2ccc(OCc3ccccn3)cc2)C[C@H]1O)c1ccccn1 585271262 VRFVKVQZHCPPHJ-VWNXMTODSA-N 434.496 1.393 0 40 IDAB CCOc1cccc2c1OCCOCCN(C(=O)Cn1cncn1)C[C@@H]1CCCN1C2 643567848 ZRRYPMOAWPVUNR-IBGZPJMESA-N 429.521 1.579 0 40 IDAB Cc1cc(C)n(-c2cc(OCC3CCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)ncn2)n1 1775974421 QXVBUAGTKFPPJX-UHFFFAOYSA-N 445.549 1.801 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)CCCSc2nc3ccccc3s2)c(=O)n(C)c1=O 3340888 CEBIUNAFEGMVQV-UHFFFAOYSA-N 448.526 1.574 0 40 IDAB O=C(Nc1nccs1)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc4c(c3)OCO4)S[C@@H]21 8636424 AAMPCCBFFSRZFO-GHBALNIRSA-N 434.499 1.504 0 40 IDAB biogenic,in-vitro C[C@@]1(CSc2ccccc2C(=O)NC[C@H]2COc3ccccc3O2)NC(=O)NC1=O 9167213 FRBIYJMSRHXZGD-ZSEKCTLFSA-N 427.482 1.947 0 40 IDAB COCCNC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(Br)c1 9238843 BKQNPSOSMFNWNO-KGLIPLIRSA-N 442.339 1.879 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 10911950 PXUNKAVWHXSBRI-UHFFFAOYSA-N 440.385 1.342 0 40 IDAB COc1ccccc1[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1nccn1C 12525176 FFTICMKVAZRGGC-FQEVSTJZSA-N 433.468 1.728 0 40 IDAB COc1cc(C)c(CN2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)cc1OC 12861726 OFJPMZIFURBELF-HSZRJFAPSA-N 444.532 1.377 0 40 IDAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1Cn1cccn1 12919695 CHVZNPQGDMFOTL-UHFFFAOYSA-N 427.530 1.984 0 40 IDAB CCCOc1ccc([C@@]2(C)C(=O)N(CN3CCOCC3)C(=O)[C@@H]2CN2CCOCC2)cc1 13511197 ATLKMLJYBCDKDF-XUZZJYLKSA-N 445.560 1.340 0 40 IDAB COCCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCCOC)[C@H]1c1ccc(Cl)cc1 16956776 XDEMGJMCDOZVRB-NYUBLWNDSA-N 442.892 1.759 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1 19372082 OXLZTXPTZVIAKO-UHFFFAOYSA-N 429.542 1.666 0 40 IDAB COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C)CC3)c(=O)[nH]c2c1 19940425 RJKWLPYUPLEYKV-XLIONFOSSA-N 439.520 1.039 0 40 IDAB CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)CC1 20503988 GMGPSUBDLCJSDP-UHFFFAOYSA-N 430.940 1.273 0 40 IDAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cc(=O)[nH]c2ccccc12 23041377 JBBHLZJELJWRBX-UHFFFAOYSA-N 427.482 1.479 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1NC(C)=O 24084332 IIJURQCTZMHFFL-GOSISDBHSA-N 437.518 1.907 0 40 IDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)c1 25832109 CRPRXHQFDIOOCE-UHFFFAOYSA-N 443.481 1.330 0 40 IDAB COC(=O)c1sc(NC(=O)c2nn([C@@H]3CCS(=O)(=O)C3)c3c2CCCC3)nc1C 27985811 OVLJBUMUUBGPPE-LLVKDONJSA-N 438.531 1.925 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2Cl)c1=O 32958163 IJVNBJLXKOBJIH-UHFFFAOYSA-N 435.912 1.521 0 40 IDAB O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C(=O)NC3CCCC3)[C@]23C=C[C@H]1O3 33939987 ZWWNKLNYFSHSJN-GBHCNSOCSA-N 435.524 1.675 0 40 IDAB O=C(CCN1C(=O)CNC1=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 40139094 SVGAMTPQOZSWTD-ACCUITESSA-N 428.470 1.980 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)cc1 40160237 AVVFBDAOUNUJEY-UHFFFAOYSA-N 445.497 1.526 0 40 IDAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)NCCN3CCCS3(=O)=O)CC2)c1 58210584 WHJVFQMEKHBXDL-IBGZPJMESA-N 437.610 1.230 0 40 IDAB COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)c3nnc4n3CCC4)CC2=O)cc1OC 58329534 RTRBNMNTYDMHQH-GDBMZVCRSA-N 427.505 1.510 0 40 IDAB CCN(CC)C(=O)CN1C[C@H](C(=O)N(CC)CC)[C@]2(CCc3ccccc3C(=O)N2)C1 72334384 XMSSJYBREKPWRV-YKSBVNFPSA-N 428.577 1.770 0 40 IDAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 72334484 XZWHILQHAFIGNE-ISJBWFOZSA-N 448.567 1.654 0 40 IDAB O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)NCCCc1ccccc1 98213206 CXXBNCWFVCBDIB-UHFFFAOYSA-N 437.475 1.589 0 40 IDAB O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)NC[C@H]1CCCO1 101486167 DNYAZPSSXZBRBH-FGTMMUONSA-N 437.562 1.183 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3ncn[nH]3)CC2)cc1 226074769 KYGXDLGQUBGLBG-UHFFFAOYSA-N 425.536 1.123 0 40 IDAB Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CC4)[C@@H](C(=O)NC4CCCC4)[C@@]34C=C[C@@]2(C)O4)no1 227207068 GIROLZLCWUZLJH-BRZWXCIUSA-N 440.500 1.683 0 40 IDAB O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CNCC2=O)NCCN1CCCC1 253402981 PFUPRWZHJGBXIY-RNCACEEWSA-N 440.588 1.792 0 40 IDAB COc1ccc(C2=NN(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)[C@@H](C(=O)O)C2)cc1 256028020 OGYOHANIHIZBSO-FEEIMYBTSA-N 448.464 1.242 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 408592798 LTHJPSWXQLBBJB-LBPRGKRZSA-N 433.914 1.316 0 40 IDAB CCOC(=O)[C@]12CCCN(C(=O)c3cn(C)nc3C(F)F)C[C@H]1CN(CCN(C)C)C2 585108067 LKAAVMSBSGMWEY-VFNWGFHPSA-N 441.523 1.637 0 40 IDAB CC(=O)N1CCN(C[C@@]2(O)CCN(Cc3cccc(OCCN4CCCCC4)c3)C2)CC1 585271799 HRNMUYXEMYLIHO-VWLOTQADSA-N 444.620 1.652 0 40 IDAB C[C@@](O)(CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)Cc1ccsc1 618255950 AUNRINBZRDCWKD-SFHVURJKSA-N 444.600 1.950 0 40 IDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 705003 SPXDXUUUBFGVIB-IBGZPJMESA-N 433.461 1.124 0 40 IDAB CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C 3305756 BNVCDQBNCYRKPY-UHFFFAOYSA-N 429.429 1.502 0 40 IDAB COc1ccccc1CNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H](N)CC(C)C)CC1 4084053 BRFNOJXPTOLWMI-LPHOPBHVSA-N 432.565 1.428 0 40 IDAB biogenic O=C(C[C@@H]1O[C@H](CNC(=O)Nc2cccc(F)c2)[C@@H](O)[C@H]1O)NCc1ccc(F)cc1 8624354 QASJFSJDFWJLLE-KVPLUYHFSA-N 435.427 1.282 0 40 IDAB biogenic,in-vitro O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CCCCC1 8986025 BSKKZSSMOCJWIH-UHFFFAOYSA-N 433.983 1.931 0 40 IDAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)CC1 9153055 BNSVOIOUANCSDH-UHFFFAOYSA-N 434.474 1.579 0 40 IDAB O=C(c1cnc2ccccn2c1=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089448 HKIHCQYWQIZEPC-LJQANCHMSA-N 439.497 1.277 0 40 IDAB Cc1cccc(NC(=O)CNC(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c1C 12542510 PPJTUIJZOBMKSY-UHFFFAOYSA-N 436.559 1.796 0 40 IDAB CCOC(=O)C1=C(COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)NC(=O)N[C@H]1C 12846569 XITISLVDUZYLLG-GUOLPTJISA-N 434.445 1.787 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nnc(-c3cc(C)nn3C)o2)cc1 13615041 VERAVHQIBURHOW-OAHLLOKOSA-N 446.489 1.579 0 40 IDAB Cc1ccnc(SCCCn2c(N3C[C@H](C)O[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 18098501 ZBDIBSQCYNYKJY-OKILXGFUSA-N 445.549 1.318 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 19520404 ICAYEJAKJPPIQL-GOSISDBHSA-N 448.520 1.984 0 40 IDAB CCN(CC)S(=O)(=O)N(C)Cc1nc([C@H]2CC(=O)N(C(C)C)C2)cc(N(C)C)n1 19701013 OBFHEINWKRFKIK-HNNXBMFYSA-N 426.587 1.285 0 40 IDAB Cc1nnsc1C(=O)N1CCO[C@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19702887 QDCVTXVVCYNEGU-LBPRGKRZSA-N 433.515 1.392 0 40 IDAB NC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)CC1 19935402 WRYKQGAVKHXZDR-UHFFFAOYSA-N 429.926 1.227 0 40 IDAB COC(=O)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(OC)c(OC)c1 22139682 OUUVSKIRHAUECT-QGZVFWFLSA-N 429.473 1.970 0 40 IDAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(NC(=O)COC)c2)cc1 23100651 OKKHXZBZNOUHLA-UHFFFAOYSA-N 435.502 1.977 0 40 IDAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 23184100 FKDZHVNEPAQCBP-HNNXBMFYSA-N 429.498 1.879 0 40 IDAB NC(=O)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 26161613 ABTPWJYPOLDMHX-FQEVSTJZSA-N 431.514 1.381 0 40 IDAB CCc1[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1C(=O)OC 30061932 TXDPFCLCUOSYTA-UHFFFAOYSA-N 437.493 1.958 0 40 IDAB COCCN(C(=O)CSCc1ccc(C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32994528 VRTSGGJDVHMBAA-UHFFFAOYSA-N 434.562 1.996 0 40 IDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)N3CCCC3)cn(C)c2=O)cc1 38486399 XOONUVBBXZRMPC-UHFFFAOYSA-N 432.502 1.124 0 40 IDAB Cc1cc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cn1 49343603 DWIJUOFTKLCACN-UHFFFAOYSA-N 428.474 1.398 0 40 IDAB CCCS(=O)(=O)N1CCC(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)CC1 49462023 VTQQLXRLNISAFW-NRFANRHFSA-N 437.606 1.936 0 40 IDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 58157742 ZFMDUZZHUPFPMG-OAHLLOKOSA-N 430.552 1.017 0 40 IDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2)NCc1cccnc1 71279615 HCQHMYKCWSFPDS-UHFFFAOYSA-N 443.261 1.507 0 40 IDAB COc1ncnc(N(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 79061318 ZTKOXGNYKLGNIL-KBPBESRZSA-N 449.533 1.601 0 40 IDAB O=C(c1ccnnc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccc(Cl)cc1)S3(=O)=O)O2 96145974 OMHLWTXMJKFBGA-AOIWGVFYSA-N 434.905 1.328 0 40 IDAB CN(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccccc1 106033175 KSGXOKFATUNQAY-MRXNPFEDSA-N 431.514 1.855 0 40 IDAB CC[C@H](C(=O)NCCN1CCOCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220704821 BYPVCACOHBRRAT-MRXNPFEDSA-N 438.377 1.986 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCSc2nc(C)n[nH]2)cc1 222746550 AKOPWEDZARWFQK-UHFFFAOYSA-N 427.552 1.431 0 40 IDAB COc1ccc(C(=O)NCCSc2ncn[nH]2)cc1S(=O)(=O)NCc1ccccc1 222907224 UCJBLUWEUHNDEK-UHFFFAOYSA-N 447.542 1.814 0 40 IDAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225856098 QVDDTZLMXXWNKR-UHFFFAOYSA-N 441.535 1.700 0 40 IDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@](O)(c1ccccc1)C1CCOCC1 575613542 STGPTHIFSXSWMG-HSZRJFAPSA-N 426.469 1.462 0 40 IDAB Cc1nc(C(=O)N2CCC3(CC=CC[C@H]4COCC[C@@H]4NC(=O)CNC3=O)CC2)cs1 1615526242 RKPVEWFHROHYHT-IRXDYDNUSA-N 446.573 1.661 0 40 IDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 2633845 OGFNWZLTLVDUNM-UHFFFAOYSA-N 426.498 1.700 0 40 IDAB COC(=O)c1sc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)c(C(=O)OC)c1C 3289661 YZFPWJFROOBFDO-GFCCVEGCSA-N 441.483 1.604 0 40 IDAB CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)C[C@@H](C(=O)O)O2 6182865 IIUNUPAFFGKONB-KRWDZBQOSA-N 425.484 1.830 0 40 IDAB COc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccccc4F)CC3)N2)cc1 8777034 RQMDTVYYSGUAPE-GOSISDBHSA-N 425.464 1.840 0 40 IDAB CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 9344691 BNSFWPQRJBCJOI-CHWSQXEVSA-N 432.365 1.612 0 40 IDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9466742 YIBHZQPMYXHCAJ-UHFFFAOYSA-N 426.498 1.140 0 40 IDAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 9633080 MHKOHYPSMDFTLY-AWEZNQCLSA-N 447.513 1.920 0 40 IDAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3sccc3C(N)=O)cc2C1=O 9700600 GRHXJQNSLQVLHW-UHFFFAOYSA-N 445.453 1.275 0 40 IDAB COCCCn1c(C)c(C)n2c3c(=O)n(CC(=O)c4ccc(F)cc4)c(=O)n(C)c3nc12 9713197 SDVXBDFPEQXWDC-UHFFFAOYSA-N 441.463 1.825 0 40 IDAB CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(OC)c2)CC1 9851214 CDSFTWZHTWYVQQ-UHFFFAOYSA-N 439.476 1.211 0 40 IDAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 10022378 QRXNTTQWUQJTRP-UHFFFAOYSA-N 431.514 1.693 0 40 IDAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cnn1C 12808032 VFLNMAJEASBHCN-UHFFFAOYSA-N 427.324 1.638 0 40 IDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 12865027 IZSVJILAPNDIHA-HUUCEWRRSA-N 435.999 1.869 0 40 IDAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)N1CCC[C@H]1C(=O)O 12886078 JOFBCJSJNSSHRO-ZDUSMZPESA-N 445.516 1.655 0 40 IDAB biogenic O=C(NCCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 13007697 QHZUHZBSAVETRJ-KRWDZBQOSA-N 432.498 1.845 0 40 IDAB COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1F 13729815 FYHRDLUGIQXMQZ-LLVKDONJSA-N 428.463 1.948 0 40 IDAB CN1CC(=O)N(CCCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)C1=O 14183803 HVLFKEHIWJZEEJ-UHFFFAOYSA-N 434.474 1.371 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1sccc1C(N)=O 15400439 GKIALZORJVDTFW-UHFFFAOYSA-N 436.559 1.879 0 40 IDAB CN(C)C(=O)CSc1nn2c(=O)c3c(nc2s1)CCN(CCc1ccccc1)C3 15414121 MFHDYEAKFRYINW-UHFFFAOYSA-N 429.571 1.932 0 40 IDAB COc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C[C@]34C=C[C@H]2O4)cc(OC)c1OC 15905308 LQAIALVFPHCXFW-CBSYKJJGSA-N 444.484 1.612 0 40 IDAB O=C(CNC(=O)c1ccc(Br)o1)N[C@H](CN1CCOCC1)c1ccccc1 16830541 YVQVPLRNYVNSGX-OAHLLOKOSA-N 436.306 1.962 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nn2cnc3ccccc3c2=O)C1 17849096 LSMDFHLZNQGZOM-CQSZACIVSA-N 431.474 1.172 0 40 IDAB Cc1nc(C)n(CC(=O)N2CC[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)n1 19756856 WLWKIXJKGMISOO-GOSISDBHSA-N 448.527 1.932 0 40 IDAB COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)cc1OC 19796926 ICUKWWMPQFHCRT-PXNSSMCTSA-N 439.555 1.475 0 40 IDAB O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(COCC(F)(F)F)cc3)cc2[nH]c1=O 23436306 UBPZOXDBSMEYRP-UHFFFAOYSA-N 443.403 1.774 0 40 IDAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 39488478 NDLNMXONQXBWCG-QNGOZBTKSA-N 444.509 1.928 0 40 IDAB C[C@@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 39996342 DDCBQYBZGPXEIW-GFCCVEGCSA-N 441.893 1.873 0 40 IDAB COC(=O)[C@H]1c2ccccc2CCN1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 95405170 VZQPMGJMHWWBPY-LYNDWLEASA-N 428.489 1.291 0 40 IDAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96050448 PAWBDBSUONNAFT-HXUWFJFHSA-N 430.896 1.945 0 40 IDAB COC(=O)c1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 96121909 ITAUQVXISKVNSY-UHFFFAOYSA-N 425.484 1.329 0 40 IDAB CC[C@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)COC)CC4)C1 100234601 FOCQSKLOSDZZML-GJZGRUSLSA-N 429.521 1.718 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219664740 PPNFCFAJRSGVRV-UHFFFAOYSA-N 445.497 1.626 0 40 IDAB CCc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 223990342 LYAFILZGCJUICB-UHFFFAOYSA-N 434.514 1.981 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)c1 225975692 QFRVJWJZEDEYMV-UHFFFAOYSA-N 425.532 1.480 0 40 IDAB CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H](n1cnc3c(O)nc(N)nc31)[C@](C)(O)C2 257292689 QMOSJVUASDSGPT-ZUOKHONESA-N 448.524 1.844 0 40 IDAB CCN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)O)c(OC)c2)C1=O 409173342 PDZJXYCDIQNUDS-BJMVGYQFSA-N 446.197 1.676 0 40 IDAB O=C(NC1CCC1)N[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O 514289409 SFAPGCLRPIEAKP-GBESFXJTSA-N 442.482 1.807 0 40 IDAB biogenic,in-vitro Cc1ccc(C(=O)O)cc1S(=O)(=O)N(CCCCCC(=O)O)[C@H]1CCS(=O)(=O)C1 575426354 RUALOVYKBFSESP-HNNXBMFYSA-N 447.531 1.516 0 40 IDAB Cn1ncnc1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)CC(C)(C)C)C[C@@H]1CO2 1772594814 YRUNAHKLXMQORH-MRXNPFEDSA-N 426.521 1.762 0 40 IDAB CC(C)n1nc(C(=O)N(C)C2CN(c3ccc4nnc(-c5cccnc5)n4n3)C2)ccc1=O 1775971429 ODQJETSQMZIJPQ-UHFFFAOYSA-N 445.487 1.285 0 40 IDAB COCCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]4C3)ncnc21 1888941904 SUUCMQZQKQVWTL-HOTGVXAUSA-N 428.518 1.230 0 40 IDAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C3/C(=O)Nc4ccccc43)c(=O)n12 2699428 VBGOOFXCJVDNGT-JIBBXCGWSA-N 447.472 1.181 0 40 IDAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)O)c3ccccc3)CC2=O)cc1 8790724 YOZMAMAVPGOUIC-YYFZDKIDSA-N 439.468 1.495 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@H](C)c3ccncc3)CC2)cc1 9616442 VALBLRBOWLDTFJ-GOSISDBHSA-N 444.557 1.881 0 40 IDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCS[C@@H]2c2ccccc2F)c1 9671855 RRHPJQRYBBOQDY-GOSISDBHSA-N 425.507 1.512 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccccc2C)cc1 9806862 URKJNFORTYXADZ-SFHVURJKSA-N 445.541 1.589 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)OC)C(C)C)c1 9956136 VGJXLRKMQSIIIR-RHSMWYFYSA-N 441.550 1.149 0 40 IDAB C[C@H]1CN(c2ccc(Br)cc2)c2nc3c(c(=O)n(CC(=O)O)c(=O)n3C)n2C1 10271965 DSQJCAXCHILRJR-JTQLQIEISA-N 448.277 1.532 0 40 IDAB Cc1ccc(C(C)C)c(OC[C@@H](O)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385512 RLIWZHCDDIYGHH-INIZCTEOSA-N 441.532 1.895 0 40 IDAB NC(=O)Cn1c(CSc2nnnn2CCc2cccs2)nc2ccccc2c1=O 10880789 FZNOYPDTNHIEIW-UHFFFAOYSA-N 427.515 1.465 0 40 IDAB CCCn1c(N)c(C(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 12622654 PWNICFLYDXPTMF-UHFFFAOYSA-N 427.379 1.527 0 40 IDAB CCc1ccccc1NC(=O)CN(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 13070316 LWXHGSJFBJHTJR-UHFFFAOYSA-N 428.514 1.775 0 40 IDAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 13134154 RQPGZNWZJHBYBG-UHFFFAOYSA-N 444.509 1.449 0 40 IDAB O=c1oc(-c2ccc(F)cc2)nn1CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 14245597 XOHQUEDWYKLKQU-UHFFFAOYSA-N 436.440 1.746 0 40 IDAB C[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 14254093 PXWAGOOCJCTIHF-SNVBAGLBSA-N 429.549 1.261 0 40 IDAB COc1ccc([C@@H](CNC(=O)CCn2cnc3ccccc3c2=O)N2CCOCC2)cc1 14899903 KHYCOTZVQDYSRO-JOCHJYFZSA-N 436.512 1.985 0 40 IDAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)NCCN1C(=O)CSC1=O 16097190 TZJDJWSGHIZSCT-UHFFFAOYSA-N 428.499 1.719 0 40 IDAB Cc1cc(C)nc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)n1 19118779 XKJOZYCEPNMOKK-OAQYLSRUSA-N 445.589 1.661 0 40 IDAB Cc1ccc(C(=O)N2CCC(c3nc(N4CCN(C)CC4)ncc3S(C)(=O)=O)CC2)o1 19216248 RDJSRRXUELTJKA-UHFFFAOYSA-N 447.561 1.553 0 40 IDAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(=O)[nH]c1)CC1(CCOCC1)O2 19219343 WAUGMPAOECAASQ-YJBOKZPZSA-N 425.485 1.991 0 40 IDAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NCc1ccccc1Cl 19349487 UAFNUKCDPDQWQA-OAQYLSRUSA-N 427.892 1.916 0 40 IDAB O=C1CCCC[C@]2(CN(C(=O)c3ccnc(N4CCOCC4)c3)C[C@H]2c2ccccn2)N1 19402258 KNZAYIMRXSNEEC-YADARESESA-N 435.528 1.982 0 40 IDAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)COc3ccccc3)C1)C2=O 19699977 OFIBPAOPCVBLNR-SFHVURJKSA-N 428.533 1.853 0 40 IDAB Cc1nc([C@H]2CCCN2CC(=O)N2CCNC2=O)nc2c1CCC(=O)N2Cc1ccccc1 19741819 WKOZHGRCRRNNDT-LJQANCHMSA-N 448.527 1.953 0 40 IDAB Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=S)NCCCN3CCOCC3)cc2c1 19823809 AICSEDYGGOAUBE-UHFFFAOYSA-N 432.590 1.536 0 40 IDAB COc1ccc(OC)c(NC(=O)CSCC(=O)Nc2csc3nc(=O)c(C)nn23)c1 20731464 KNVNAMCNSVPAHT-UHFFFAOYSA-N 449.514 1.787 0 40 IDAB CC(=O)c1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 21682945 DMPKNJIWADBRSS-UHFFFAOYSA-N 429.498 1.946 0 40 IDAB Cn1c(N)c(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)n(C)c1=O 21822131 BWILESCCGLFWJI-UHFFFAOYSA-N 447.539 1.256 0 40 IDAB CN1CCN(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 22829785 HLDOYHZAABZSGP-UHFFFAOYSA-N 448.564 1.775 0 40 IDAB CN(c1ccc(OCC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1)S(C)(=O)=O 30952847 NNWUPRGRVLQYNN-UHFFFAOYSA-N 431.514 1.904 0 40 IDAB CC1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1 39984849 IDIUGUJOXMHIRR-MRXNPFEDSA-N 436.983 1.680 0 40 IDAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)Cn3c(=O)c(=O)[nH]c4ccccc43)ccc21 40138913 XZIKQOVRQVIYNX-CYBMUJFWSA-N 435.436 1.413 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c1 48290570 JPXFWCGJIQJRJZ-SFHVURJKSA-N 430.592 1.204 0 40 IDAB C[C@@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1ccc(S(=O)(=O)N(C)C)cc1 48312329 YDUUGYSJRKTOHL-CYBMUJFWSA-N 432.477 1.663 0 40 IDAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1O2 72327805 MCRDORIAGVSXFF-CDMIOBSGSA-N 449.573 1.126 0 40 IDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCn3nc(C)nc3C2)c(Br)c1 79023907 AENVQONJMIJIOI-UHFFFAOYSA-N 429.296 1.730 0 40 IDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 95424601 GSTOVTIHVDDANW-UFUQCMIWSA-N 427.482 1.901 0 40 IDAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223038320 UQJRXWVAECYUJM-GOSISDBHSA-N 443.525 1.693 0 40 IDAB COC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 247835753 MHVHYRDHICVICQ-FOUBCARRSA-N 441.415 1.013 0 40 IDAB O=C(NCc1cccnc1)[C@H]1CN(CC2CC2)C[C@@]2(CCN(C(=O)c3cccnc3)C2)O1 306142483 XAJRQCIQCIUQEO-ZJSXRUAMSA-N 435.528 1.489 0 40 IDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3I)C(=O)[C@@H]12 409284276 TWGHZIWJTQCOAP-VMUDFCTBSA-N 439.205 1.667 0 40 IDAB CCc1nn(C)c(CC)c1CNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 533683171 HHTAOQRQDXVNTC-FQEVSTJZSA-N 438.532 1.711 0 40 IDAB CCc1nc([C@H](C)NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)n[nH]1 536502354 LYMSDYAPIPZVOB-VIFPVBQESA-N 441.457 1.247 0 40 IDAB Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(Cc5ccccn5)CC4)C3)ncn2)n1 575609718 OMJIUDURQZZFKS-UHFFFAOYSA-N 432.532 1.455 0 40 IDAB COc1ncc(CN2C[C@@H](C(=O)NCCc3noc(C)n3)C3(CCOCC3)C2)cc1C 585101908 IRLBTWLIFNVNAD-SFHVURJKSA-N 429.521 1.678 0 40 IDAB CC(=O)N1CCC(N2CC3(CN(C(=O)c4ccccc4F)C[C@@H]4COCCN43)C2)CC1 604382012 YVFOANPOCGRCJV-LJQANCHMSA-N 430.524 1.048 0 40 IDAB biogenic,in-vitro O=C(N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccco4)n3)CO[C@H]12)c1ccc2c(c1)OCO2 5433927 OLDZIBPAFWXROX-IQGAEYHTSA-N 436.424 1.842 0 40 IDAB biogenic,in-vitro COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@]12C(=O)Nc1ccccc12 9186326 FMIKCAYZNIHZTF-QHCPKHFHSA-N 433.420 1.772 0 40 IDAB CN(CC(=O)Nc1ccc2c(c1)OCCCO2)S(=O)(=O)c1ccc2c(c1)OCCO2 9481350 NUQFNINNSRJDNO-UHFFFAOYSA-N 434.470 1.878 0 40 IDAB COc1ccc2oc(C(=O)OCC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)c(C)c2c1 9508744 DPINYJMRJKFZJF-UHFFFAOYSA-N 425.397 1.743 0 40 IDAB Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@@H]1CNC(=O)C(=O)NCc1ccccc1 9577635 YZPAPMWZWXPBFH-LJQANCHMSA-N 449.504 1.304 0 40 IDAB Cc1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 9664500 LRODMYKLBQMZIE-UHFFFAOYSA-N 432.498 1.836 0 40 IDAB CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)CC1 9708308 PSXZGHFUCFXPEE-IBGZPJMESA-N 426.542 1.659 0 40 IDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C2=O 9982172 JUQNTOPVXXTLDZ-GIGQVBGESA-N 426.395 1.659 0 40 IDAB CCOC(=O)C[C@H](NC(=O)CSc1nnnn1-c1cccnc1)c1ccc(OC)cc1 10337204 HJJCFXXGJKSQKL-KRWDZBQOSA-N 442.501 1.969 0 40 IDAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1OC 12030646 YLNQTEJYIDIKLM-INIZCTEOSA-N 439.511 1.917 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1C(N)=O 12755763 URKDQPOVLGXNAQ-UHFFFAOYSA-N 426.445 1.442 0 40 IDAB Cn1c(=O)c2cc(C(=O)N3CCCN(Cc4ccc(F)cc4)CC3)cnc2n(C)c1=O 12913264 BSXWSFVAQLTNGO-UHFFFAOYSA-N 425.464 1.119 0 40 IDAB O=C(NC[C@@H](O)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 13628680 RMVAALSXGRNPDM-NVXWUHKLSA-N 446.554 1.942 0 40 IDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13848525 YOIZNZSYCIGQCK-UHFFFAOYSA-N 442.501 1.284 0 40 IDAB CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)NC1=NCCS1 13956060 QTHPTPPYBDLJBU-UHFFFAOYSA-N 436.538 1.721 0 40 IDAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 14356678 NWUAJUZUSCCDQD-OQLYILNASA-N 443.500 1.966 0 40 IDAB CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 14901137 BLNVIJAYRTYCRJ-UHFFFAOYSA-N 429.477 1.872 0 40 IDAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)n(C)c1 18396467 OEIWJWIJCVSPLL-UHFFFAOYSA-N 432.502 1.729 0 40 IDAB C[C@@H](C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2)c1ccccc1 19459294 AAWWDNALQVBQMA-BEFAXECRSA-N 444.557 1.945 0 40 IDAB CS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c(=O)c2C1 19572614 MCZNFIDXNGBPKB-QGZVFWFLSA-N 434.493 1.594 0 40 IDAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)C2=O)cc1C 22528125 PDSIEGCFRMBVEG-KNQAVFIVSA-N 449.507 1.920 0 40 IDAB Cc1cn2c3c(=O)n(CCCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(F)cc1 22883601 OBGXWIJXFJFSGI-UHFFFAOYSA-N 440.479 1.308 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1 24608794 QIHXWWBIGCOXJS-UHFFFAOYSA-N 427.954 1.606 0 40 IDAB CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 25664866 QTKLLDKZZDTARF-PMACEKPBSA-N 438.484 1.168 0 40 IDAB CN(Cc1ccccc1Br)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 32826469 VWYYQWVYEJEGEU-KGLIPLIRSA-N 429.336 1.443 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)cc1C 34898220 YESBUJTUHUAQTF-UHFFFAOYSA-N 445.541 1.655 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(NC(=O)c3ccc(C(F)(F)F)nc3)c2)CCN1 40106951 DLCJHJBMXQXAPD-UHFFFAOYSA-N 428.392 1.473 0 40 IDAB COC(=O)[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 72278430 BJVLIDIMMPVNTQ-SFHVURJKSA-N 438.527 1.342 0 40 IDAB Cc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)C2)n[nH]1 79107797 GBYHWKRJWLTSPT-ZDUSSCGKSA-N 431.440 1.974 0 40 IDAB Cc1ccc(CNC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]32)cc1 100036670 QQURJDVPKTUYQZ-VQTJNVASSA-N 435.440 1.376 0 40 IDAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C(OC(C)=O)OC(C)=O)C=C[C@]3(C)O2)cc1 100339639 MWDJUKCLWRCKSS-CTOYSFNJSA-N 443.408 1.267 0 40 IDAB O=C(O)C12C3(Cl)[C@@]4(Cl)C5(Cl)C(O)(O)C(Cl)([C@@]14Cl)[C@]2(Cl)[C@]53Cl 104078515 XTWBNKWREPGTEI-CGPVRTRUSA-N 435.301 1.650 0 40 IDAB O=C(NCc1ccccc1)[C@H]1[C@@H]2C(=O)N(C3CC3)[C@H](C(=O)NC3CCCC3)[C@@]23C=C[C@H]1O3 245230322 PEQRRQDTRSBGEN-RCCCMVMJSA-N 435.524 1.675 0 40 IDAB NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCCN3CCCC3=O)c2)C1 257224150 FANHIIYRSOPZQF-DEOSSOPVSA-N 436.512 1.742 0 40 IDAB NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 408591044 IOHNMOFVJRNQFE-LJQANCHMSA-N 449.960 1.954 0 40 IDAB Cn1c(C(F)(F)F)nn(C2CCN(S(=O)(=O)CCOc3ccccc3)CC2)c1=O 575615985 MPZWKZMDSJHOOO-UHFFFAOYSA-N 434.440 1.646 0 40 IDAB O=C(c1ncc[nH]c1=O)N1CCCN(c2ccc3nnc(-c4cccc(F)c4)n3n2)CC1 1775972597 MMKQFVXBWJXWHW-UHFFFAOYSA-N 434.435 1.366 0 40 IDAB O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)Nc1ccccc1Br 1361428 KNWDZJADTSOPIE-UHFFFAOYSA-N 426.238 1.717 0 40 IDAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 3323406 HAKNZSWFCODFKD-OAHLLOKOSA-N 426.491 1.324 0 40 IDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 9256953 NQAOROAOLIFRKN-UHFFFAOYSA-N 432.531 1.858 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3nccs3)C2)cc1 9530925 LEUFUAYBYKBCCL-CYBMUJFWSA-N 438.531 1.307 0 40 IDAB Cc1cnc2c(c1SCC(=O)N1CCN(c3ccccc3)CC1)c(=O)n(C)c(=O)n2C 10216258 ZPKNHEVCQZMZEC-UHFFFAOYSA-N 439.541 1.382 0 40 IDAB Cn1c(=O)c2c(SCC(=O)N3CCCCC3)nc(-c3cccs3)nc2n(C)c1=O 11758290 YIVHYFFGQWKEEL-UHFFFAOYSA-N 431.543 1.860 0 40 IDAB COCCCN(C(=O)Cc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12690649 STQXEPFFQASRKZ-UHFFFAOYSA-N 440.475 1.918 0 40 IDAB COc1ccc(N2C(=O)C(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)C2=O)cc1 12736589 VZWCWKBTUQLAPZ-CYBMUJFWSA-N 436.424 1.754 0 40 IDAB Cc1cccc(C(=O)NCC(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 13011977 VOUCLSYTDAXAEX-UHFFFAOYSA-N 425.485 1.948 0 40 IDAB COc1ccc(OCCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 13371381 LMAWETSAUMIIIN-PMACEKPBSA-N 439.555 1.612 0 40 IDAB C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16010089 PWWIMLJAYVPOBC-MESGYOSKSA-N 443.862 1.781 0 40 IDAB CC(C)Cc1c(O)nc(SCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)[nH]c1=O 16033407 ATPIYBAKXRKNEJ-KGLIPLIRSA-N 430.530 1.574 0 40 IDAB biogenic Cn1cc(C(=O)C2CCN(C(=O)c3ccccc3OCCN3CCCC3=O)CC2)c(N)n1 19290253 LNTHPXNYORLVGG-UHFFFAOYSA-N 439.516 1.739 0 40 IDAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(Cc2cn(CC(N)=O)c3ccccc23)C1 19573276 LYFAVCLYJBZDBV-CYBMUJFWSA-N 433.559 1.761 0 40 IDAB Cc1nnsc1C(=O)N1CCO[C@@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19702885 QDCVTXVVCYNEGU-GFCCVEGCSA-N 433.515 1.392 0 40 IDAB COc1ccc(Cn2ccn(CC(=O)Nc3ccc(OC)c(OC)c3)c(=O)c2=O)cc1 20488671 BSRBFEDRHUHUBU-UHFFFAOYSA-N 425.441 1.723 0 40 IDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)ccc21 23560700 LTVJXXDRTWFDJI-FQEVSTJZSA-N 440.475 1.652 0 40 IDAB C[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O 23718487 QLLAQDCJRMEMLW-QFIPXVFZSA-N 446.573 1.550 0 40 IDAB O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 23805080 FKJQYEWLBUXRJE-OAQYLSRUSA-N 425.485 1.917 0 40 IDAB Cc1nc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n(C[C@@H]2CCCO2)c1C 24514423 QXCZEMZKJSBPRC-HNNXBMFYSA-N 432.550 1.608 0 40 IDAB O=C(Cc1ccc2c(c1)OCCCO2)NCCNS(=O)(=O)c1cccc2nsnc12 36366748 QJVUJCQMGLQUDO-UHFFFAOYSA-N 448.526 1.490 0 40 IDAB C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccccc3Br)CC2)C[C@H](C)O1 40086122 LIMBIHZNBHZACT-GJZGRUSLSA-N 432.384 1.921 0 40 IDAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O 40086513 SAXLEIFTTHSKPB-HRZDDSQGSA-N 426.517 2.000 0 40 IDAB CCCc1noc(CCCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 40152898 NFQUXLKTBCHZMH-UHFFFAOYSA-N 425.511 1.483 0 40 IDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1OC 67286475 YUHWIZTVTWNHOQ-QGZVFWFLSA-N 435.477 1.216 0 40 IDAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 70894645 ZMZQEGVEWGXNRT-UHFFFAOYSA-N 449.511 1.816 0 40 IDAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](O)CN3CCCC3=O)c2)c1 72311671 YLNAQNWESZMWMT-LJQANCHMSA-N 445.541 1.817 0 40 IDAB O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395598 ZQPKJTGLWNZZSR-FPMFFAJLSA-N 435.472 1.629 0 40 IDAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@]4(O)CCOc5ccccc54)cc1c32 77100024 NDKUWWVRFZAQRT-JBEBIEQOSA-N 435.480 1.808 0 40 IDAB COc1cc(NC2CCN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc(OC)c1 79025625 CLPGNRNJCIRCPZ-UHFFFAOYSA-N 448.545 1.866 0 40 IDAB O=C(COC(=O)CNC(=O)c1ccccn1)NC1CCN(C(=O)C2CCCCC2)CC1 84609830 CAAUOYCKLWKEOV-UHFFFAOYSA-N 430.505 1.042 0 40 IDAB O=C(c1ccco1)N1CCN(c2ncc3c(=O)n(Cc4ccccc4)c(=O)[nH]c3n2)CC1 90591692 FSQHBDBCEZGQEV-UHFFFAOYSA-N 432.440 1.084 0 40 IDAB COc1ccc(/C=C/C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1OC 225597031 XTZDGSVLSGKASY-SOFGYWHQSA-N 434.518 1.374 0 40 IDAB Cn1c(=O)sc2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21 225674174 SQRVUVRDVVQROW-UHFFFAOYSA-N 447.538 1.835 0 40 IDAB CC1(C)CCC2(CCN(CC(=O)N3CC(=O)Nc4ccccc43)CC2)CN1S(C)(=O)=O 257250953 JOSREDJSNVEUMV-UHFFFAOYSA-N 448.589 1.888 0 40 IDAB CCN1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257263096 LOJFJSPSKSHKQQ-IBGZPJMESA-N 449.511 1.150 0 40 IDAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CN(C(=O)CCn3c(C)cc(C)nc3=O)CCO2)n1 257341733 ZLTIBKDHTCODGL-OAQYLSRUSA-N 436.516 1.954 0 40 IDAB COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1NC(=O)c1ccccc1F 408595675 QYSKSFNTFRCUTC-UHFFFAOYSA-N 437.493 1.697 0 40 IDAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3OC)C2)c1 408658890 RTWBYEIUXPBELE-CQSZACIVSA-N 441.440 1.379 0 40 IDAB CCC1(CC)NC(=O)N(CC(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O 512400413 QERQASDXDWJUOM-GOSISDBHSA-N 442.516 1.904 0 40 IDAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 3398566 ABRBHPLOMVSGKX-UHFFFAOYSA-N 431.514 1.858 0 40 IDAB CCn1c(SCC(=O)Nc2nc3ccccc3s2)nc2c1c(=O)n(C)c(=O)n2C 6198436 WOPKYSCMJUICIJ-UHFFFAOYSA-N 430.515 1.794 0 40 IDAB O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O)Nc1ccccc1 8624529 KGJQUYIIPROOQR-OGWHTMIXSA-N 440.905 1.136 0 40 IDAB biogenic,in-vitro Cn1c(=O)n(CC(=O)OCc2ccccc2)c(=O)c2c1nc1n2CCCN1Cc1ccco1 9519028 HXMUJQMLJMEMTO-UHFFFAOYSA-N 449.467 1.643 0 40 IDAB O=C(COc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569907 FKSLWMBSAUMKSB-UHFFFAOYSA-N 439.484 1.612 0 40 IDAB COc1ccc(OC)c(-n2c(C)c(C)n3c4c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c4nc23)c1 9713139 RVOAJEABAYNEEW-ZDUSSCGKSA-N 439.472 1.923 0 40 IDAB CS(=O)(=O)N(CCCC(=O)NCCCN1CCCCC1)c1ccc2c(c1)OCO2 10279823 HBCRGHONRPANGP-UHFFFAOYSA-N 425.551 1.954 0 40 IDAB COc1ccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 11758051 QZISRLALYQOOTE-UHFFFAOYSA-N 431.474 1.084 0 40 IDAB COCCn1c(=O)[nH]c2cc(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)ccc21 12185731 KLZSMULBKZCYOA-UHFFFAOYSA-N 436.468 1.731 0 40 IDAB CC[C@H](C)C(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 12639103 LWAWCRLAVPGIQD-ZDUSSCGKSA-N 446.939 1.710 0 40 IDAB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 12818927 PZBABCQIRBFLAJ-IBGZPJMESA-N 429.498 1.781 0 40 IDAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1S(=O)(=O)N1CCCCC1 13117918 WDBKHHZODXUPKO-OAQYLSRUSA-N 448.545 1.829 0 40 IDAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)Nc1ccccc1 17190633 UWUYPSZQXAQZER-UHFFFAOYSA-N 434.481 1.966 0 40 IDAB COc1cc(CNCCNC[C@H](C)O)ccc1OCc1nnnn1-c1ccc(C)cc1 22108300 BBKFGMKBNCFYCP-KRWDZBQOSA-N 426.521 1.618 0 40 IDAB COc1ccc(CC(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 22226926 ICMNYPZRSDDTHF-UHFFFAOYSA-N 448.541 1.626 0 40 IDAB O=C(NCCc1ccc(-n2cccn2)cc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 22683452 KOBAIOJIVSLBFN-UHFFFAOYSA-N 429.502 1.194 0 40 IDAB Cc1ccc(NC(=O)CN2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1 22782948 GIDQEBXXFRISPK-UHFFFAOYSA-N 430.574 1.838 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN(CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 23702559 ZEYZXBSLNHDXMQ-ORAYPTAESA-N 439.538 1.056 0 40 IDAB Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)n1 24374175 SYEPWIZXFIVRPQ-UHFFFAOYSA-N 446.529 1.500 0 40 IDAB O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCN(c2cnccn2)CC1 25343526 SJSMPPZANIOYQJ-UHFFFAOYSA-N 443.305 1.688 0 40 IDAB Cc1nn(C)c2c(=O)n(C(C)C)c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc12 28556969 LLZUANFTXBNMHQ-UHFFFAOYSA-N 448.524 1.669 0 40 IDAB O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)Nc1ccc2c(c1)OCCO2 32615460 ALCQKMBHMPDWFN-UHFFFAOYSA-N 445.435 1.363 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(NS(=O)(=O)CC)CC2)cc1 32912034 KTYKLKNBSYNDLF-UHFFFAOYSA-N 431.580 1.261 0 40 IDAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 38771269 BNICZCQURXROGJ-IBGZPJMESA-N 447.513 1.619 0 40 IDAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)c(OC)c1 89960385 WUAVQJLFSRONQN-CQSZACIVSA-N 448.563 1.811 0 40 IDAB CC1(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CCOCC1 95409525 PHJGCHQUPVNQDQ-QGZVFWFLSA-N 426.535 1.649 0 40 IDAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)[C@H]5CCCO5)CC4)nn3c(O)c2C1 100243071 HXVYYQHTDVUGAC-GOSISDBHSA-N 427.505 1.615 0 40 IDAB COc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1 223874950 SNFSJSFLEIUAKI-UHFFFAOYSA-N 434.514 1.997 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224333619 YCBQOMCOVYTTHB-UHFFFAOYSA-N 433.534 1.141 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)cc1C 225596750 AUKFARFTABACER-UHFFFAOYSA-N 444.506 1.964 0 40 IDAB CCn1c(CCCC(=O)N2C[C@@H](O)[C@H](n3cc(C)c(O)nc3=O)C2)nc2ccccc21 257230202 GBHAYDDZUYZTLQ-QZTJIDSGSA-N 425.489 1.394 0 40 IDAB O=C(c1cccc(OCCN2CCCC2)c1)N1CC[C@H](O)[C@@H](n2ccc(O)nc2=O)CC1 257258594 KURZZXLTZSTCMW-PMACEKPBSA-N 442.516 1.262 0 40 IDAB O=C1CCCN1C[C@H]1CC[C@]2(COCCN(Cc3ccccc3N3CCOCC3)C2)O1 306130923 JSTFAAKNGCUWMG-QPPBQGQZSA-N 429.561 1.896 0 40 IDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 504094017 WTCJKKKDUOSBGS-QUCCMNQESA-N 425.485 1.268 0 40 IDAB biogenic O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 552438272 QHECXPJQKWESRK-UYAOXDASSA-N 428.533 1.553 0 40 IDAB Cc1ccc(CC(=O)N2CC[C@@]3(CCc4nnc(C(=O)NCCN(C)C)n4CC3)C2)cc1 585106787 PDHSUMWHWMGMPX-XMMPIXPASA-N 438.576 1.676 0 40 IDAB O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCCc2ccc(-c3ccccc3)cc2)CC1 676020381 GOHSMAANJAZILM-UHFFFAOYSA-N 448.523 1.899 0 40 IDAB COc1ccccc1OC[C@H](O)Cn1c(=N)n(CCN2CCOCC2)c2ccccc21 809650 DOXBCNGHOKZNIB-GOSISDBHSA-N 426.517 1.703 0 40 IDAB Cc1ccc(Nc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)s2)c(C)c1 3361411 LJLOZLFCJBJTBX-UHFFFAOYSA-N 432.531 1.853 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)cc1 3419207 WNELTDSSGBODJF-UHFFFAOYSA-N 425.488 1.952 0 40 IDAB CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCC2 6529628 NGSFGYGMGRLFQO-UHFFFAOYSA-N 449.554 1.870 0 40 IDAB COCCn1c(=O)c2c(nc3n(-c4ccc(Br)cc4)c(C)cn23)n(C)c1=O 8708317 VKTFKKXOYZUCRX-UHFFFAOYSA-N 432.278 1.856 0 40 IDAB COc1ccc(CCC(=O)NCCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 8740582 SYDJYGNFKFQPFA-UHFFFAOYSA-N 425.533 1.521 0 40 IDAB Cc1nn2c(=O)cc(COC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2s1 8829641 YWMRSPAWUWXKJU-UHFFFAOYSA-N 448.526 1.991 0 40 IDAB O=S(=O)(c1ccc(Sc2nnc(NC[C@@H]3CCCO3)s2)nc1)N1CCOCC1 9208004 ANKKGIZUOYRFTE-LBPRGKRZSA-N 443.576 1.696 0 40 IDAB Cc1cccc(OC[C@@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 10386225 QLUOCOAVABRVFQ-IRXDYDNUSA-N 441.532 1.418 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1OC 11858250 VCZBIOOEPBBGAQ-GFCCVEGCSA-N 440.499 1.817 0 40 IDAB CCCn1c(CCC(=O)O[C@@H](C)C(N)=O)nc2cc(S(=O)(=O)N3CCCC3)ccc21 12045710 HIOBIEZALVIPOW-AWEZNQCLSA-N 436.534 1.580 0 40 IDAB C[C@H](C(=O)NCCCN1CCCC1=O)N1CC2(CCOCC2)Oc2ccccc2C1=O 12086869 WYMFXIGKAGYMBM-QGZVFWFLSA-N 429.517 1.588 0 40 IDAB COC(=O)C1=C(C)NC(=O)[C@@]1(Nc1nc2ccc(S(C)(=O)=O)cc2s1)C(F)(F)F 12402643 BSIMPUWNCMDUGH-OAHLLOKOSA-N 449.432 1.990 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)C2=COCCO2)c1 12527230 GUFJWUCSICXYNS-UHFFFAOYSA-N 438.550 1.296 0 40 IDAB Cn1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(C)(=O)=O)ccc3F)CC2)c1 12873139 PAAAJLSSLQZATB-UHFFFAOYSA-N 443.522 1.607 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 13165341 CUEWFDWIJVANTR-LJQANCHMSA-N 432.546 1.961 0 40 IDAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 15323934 HFZIJYBYQLUMDT-UHFFFAOYSA-N 429.498 1.908 0 40 IDAB CCCCn1c(N)c(N(C)C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)[nH]c1=O 16707125 XERCHBXQVOZHAF-UHFFFAOYSA-N 436.896 1.939 0 40 IDAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)[C@@H]4CCOC4)CC3)n2)CC1 19497069 PYDLDLRJGLPUKN-QGZVFWFLSA-N 436.578 1.859 0 40 IDAB O=C(NCCCCOc1ccc(F)cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23133628 PRXMYUZCAAUXGR-HNNXBMFYSA-N 425.482 1.266 0 40 IDAB CS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134268 MARWMWKRVHFAED-UHFFFAOYSA-N 426.502 1.024 0 40 IDAB CN(C)CCNC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(S)nc2c1 23212057 STMFZCUBZBZBTH-UHFFFAOYSA-N 426.498 1.754 0 40 IDAB COc1ccccc1C(=O)O[C@H](CN1CCN(C)CC1)CN1C(=O)c2ccccc2C1=O 28293238 GNJDTZBQETUCAK-QGZVFWFLSA-N 437.496 1.764 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)cc1 34867511 BIBPCLBGCLUZMM-UHFFFAOYSA-N 425.457 1.918 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)NCCc1c[nH]c2ccccc12 35392919 MLMMOLQHJALKAR-UHFFFAOYSA-N 432.571 1.895 0 40 IDAB Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCCCn2nc(C)cc2C)c1 39995426 VTFLTVAUAKVYHN-IBGZPJMESA-N 434.562 1.548 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3nnc(SC)s3)CC2)c1 48303021 CMGKRUMTZFPUBS-UHFFFAOYSA-N 430.577 1.784 0 40 IDAB Cc1nonc1CC(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325537 WWBSKHBKSIXPCQ-FQEVSTJZSA-N 431.880 1.907 0 40 IDAB Cn1c(=O)c2ccc([C@@H]3CCCCN3C(=O)COc3ccc(F)cc3)nc2n(C)c1=O 72374615 RPDUSZITKIXWSB-SFHVURJKSA-N 426.448 1.904 0 40 IDAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)cc1 95410457 RUKKSCCNIQRAOF-HNNXBMFYSA-N 433.534 1.559 0 40 IDAB COC(=O)C[C@@H](c1ccc(OCC(=O)O)c(OC)c1)c1c(O)nc2ccccn2c1=O 96116217 JXSMIGXUHWWSNA-ZDUSSCGKSA-N 428.397 1.567 0 40 IDAB biogenic Cc1cccc(S(=O)(=O)NCC(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 96380845 RHQKEQRZLPCETR-UHFFFAOYSA-N 442.946 1.611 0 40 IDAB Cc1ccc(Cn2[nH]cc/c2=N\C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 101014261 NUPBSEPISJDWHF-DARPEHSRSA-N 440.525 1.935 0 40 IDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 222438601 XBOKQNSWCGYWGW-FUMNGEBKSA-N 442.493 1.800 0 40 IDAB CCn1nc(C)c(S(=O)(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1C 225743773 UMGCDIXBCWRLBF-UHFFFAOYSA-N 443.577 1.952 0 40 IDAB CCn1c(CCCC(=O)N2C[C@H](O)[C@@H](n3cnc4c(N)nc(N)nc43)C2)nc2ccccc21 257224358 FBMKZWJJBMTVPX-HOTGVXAUSA-N 449.519 1.127 0 40 IDAB COCC(=O)NCc1cccc([C@@H]2CN(C)C[C@H]2C(=O)NCCc2ccc(OC)cc2)c1 257308532 TXCDYMWIRAAJEQ-XZOQPEGZSA-N 439.556 1.962 0 40 IDAB COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1C(=O)N1CCOCC1 408693441 UQDRBCZTXKPZPQ-UHFFFAOYSA-N 440.543 1.972 0 40 IDAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 409294217 AJQNARSDGDCJKO-GJRWTSMGSA-N 439.342 1.971 0 40 IDAB NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1 547383401 GWQQPPOMFOMZSN-GOSISDBHSA-N 428.562 1.666 0 40 IDAB CN1CCN(CC(=O)N(C)c2ccc(NC(=O)c3cccc4ncnc(O)c34)cc2)CC1 1632577072 SHKMZLUGJXPUGN-UHFFFAOYSA-N 434.500 1.798 0 40 IDAB CO[C@@](C)(CNC(=O)CCc1c(C)nc2nc(N)nn2c1C)COCc1ccccc1 1654712862 TWNLKVWZGGXNEV-QFIPXVFZSA-N 426.521 1.994 0 40 IDAB CC(C)(C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 8745722 IRIHSHBPCLEVEW-UHFFFAOYSA-N 436.578 1.425 0 40 IDAB O=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)Nc1ccc2c(c1)OCO2 8769217 YLYZPPFCOITMSQ-UHFFFAOYSA-N 436.468 1.940 0 40 IDAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1ccc2c(c1)OCO2 8991202 DIYWBPPVNFODCV-HNNXBMFYSA-N 445.497 1.571 0 40 IDAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)COc2cccc(Cl)c2)cc1 9445272 ROVVXALWHKHMMD-UHFFFAOYSA-N 426.878 1.268 0 40 IDAB CNC(=O)c1ccc(NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 9508792 IEIOXSHLGYOGRZ-UHFFFAOYSA-N 426.472 1.790 0 40 IDAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)N1CCc1ccccc1 9562291 VQSGYMDJDLFWFE-QGZVFWFLSA-N 433.555 1.425 0 40 IDAB C[C@H](Oc1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569894 ZIHJOENPSWMZOM-KRWDZBQOSA-N 435.521 1.861 0 40 IDAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(N)=O)[C@@H](C)CC)cc1 9612567 ICRMLBYCFDHVIN-WFASDCNBSA-N 427.527 1.496 0 40 IDAB COc1cccc(CNC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 9807018 FLCNBPCFSKTYSK-OAHLLOKOSA-N 437.543 1.342 0 40 IDAB COc1cc(CCNC(=O)Cn2nnn(-c3cccs3)c2=O)ccc1OC(F)F 10815793 SNOXGVFKBCJXCL-UHFFFAOYSA-N 425.417 1.459 0 40 IDAB CCCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c(=O)n(C)c21 11796849 CSXAOOLINRPZHQ-UHFFFAOYSA-N 427.480 1.550 0 40 IDAB CCn1c(=O)n(CC(=O)N2CCCC[C@@H]2C)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12276812 DWZVRRZEYJUNLW-ZDUSSCGKSA-N 440.479 1.919 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)CC2)cc1 13063550 WZHTWTLEZHFJTL-LAUBAEHRSA-N 434.562 1.760 0 40 IDAB COc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 13141277 MLJDRGIOEWKIIV-UHFFFAOYSA-N 432.498 1.694 0 40 IDAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 14155302 QUVRNIKVXKSJOJ-UHFFFAOYSA-N 439.515 1.331 0 40 IDAB CC1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)CC1 14157191 JMEIOKYSEGJZCO-QAPCUYQASA-N 435.546 1.940 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 15717921 ZVKVGCBXVFLGTQ-UHFFFAOYSA-N 437.543 1.390 0 40 IDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2s1 18186598 VMIPUEDJWSBEJR-LBPRGKRZSA-N 427.573 1.540 0 40 IDAB Cc1cc(-c2cnc(C(C)C)nc2CN(C)S(=O)(=O)[C@H]2CCS(=O)(=O)C2)on1 19123543 QNTDEHZMZPKALI-ZDUSSCGKSA-N 428.536 1.512 0 40 IDAB CN(C)c1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@@H]2CCCCN2)n1 19709867 QJBFYVFOLQQHIE-KRWDZBQOSA-N 447.561 1.949 0 40 IDAB COc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 20033463 WANTXDGEOGQNRD-UHFFFAOYSA-N 426.516 1.195 0 40 IDAB CCOC(=O)[C@]1(Cc2ccc(O)cc2)N[C@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@@H]21 20150424 CLJUXOSYNIMXSO-RTXPOLOASA-N 426.444 1.951 0 40 IDAB COc1cc([C@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(Br)c1OC 20730450 DULXBYUXHIXAAK-LLVKDONJSA-N 425.239 1.088 0 40 IDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CN1C(=O)NC2(CCCCC2)C1=O 22096218 OPTCOQKEMSQCBK-INIZCTEOSA-N 437.566 1.504 0 40 IDAB CCCCc1ccc(NC(=O)Cn2nc(C3CCN(S(C)(=O)=O)CC3)n(C)c2=O)cc1 23141097 ODVQPJHSGPBCEC-UHFFFAOYSA-N 449.577 1.702 0 40 IDAB CNC(=O)CSc1nnc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)s1 23141711 IQYKLHNUOGNNAQ-UHFFFAOYSA-N 441.966 1.757 0 40 IDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 23649099 YCMAYWPEVDNPJJ-FQEVSTJZSA-N 430.480 1.956 0 40 IDAB CS(=O)(=O)c1ccccc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 23693998 UTRPIMKHXVSHEC-UHFFFAOYSA-N 438.527 1.041 0 40 IDAB COC(=O)C[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 24493152 GUXMZTCLGREFOA-QGZVFWFLSA-N 429.498 1.844 0 40 IDAB C[C@@H]1C[C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C(=O)O1 32736514 ANQUOSHHTMNJCN-FZKQIMNGSA-N 439.486 1.496 0 40 IDAB NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CSc1nnc(-c2ccco2)o1 36646213 PCUDJIIEBIWUIK-UHFFFAOYSA-N 425.430 1.799 0 40 IDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CCNC(=O)c2ccc(F)cc2F)cc1 40146140 AVPBBIQRTDTOHL-UHFFFAOYSA-N 425.457 1.651 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(-n3cccn3)c(F)c2)C[C@@H](C)O1 69459981 MMEYEVSWPHQXTG-OKILXGFUSA-N 425.486 1.572 0 40 IDAB CN(C)C(=O)CN1C(=O)CO[C@H](c2ccc(NC(=O)COc3ccccc3)cc2)[C@H]1CO 72321302 NRTXTPVWHZSRTC-AUSIDOKSSA-N 441.484 1.053 0 40 IDAB biogenic,in-vitro O=S1(=O)CCCCN1c1ccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)cc1 77200964 ZHSMROGJCURLQY-UHFFFAOYSA-N 430.548 1.534 0 40 IDAB CN(C)C(=O)N1CCC(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CC1 89312022 WGVLXLIQSSSKFM-UHFFFAOYSA-N 435.956 1.816 0 40 IDAB CCNS(=O)(=O)c1ccc(/C=C/C(=O)NCc2nc3ccccc3c(=O)n2C)cc1 95467820 FXGSGCLLXMNWPG-JLHYYAGUSA-N 426.498 1.561 0 40 IDAB COc1cccc(NC(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@@]32CCNC2=O)c1 96262560 SBCIOCJZBMTTGT-JOCHJYFZSA-N 429.521 1.813 0 40 IDAB CCCCn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 96305234 MDAWBJRDTCDYMC-UHFFFAOYSA-N 428.512 1.695 0 40 IDAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCN(C)CC2)n1C 197340394 KVCVDFPNYIAIRH-GOSISDBHSA-N 430.578 1.808 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)c1 222757997 LKOOHDLBQTZYGL-UHFFFAOYSA-N 441.531 1.171 0 40 IDAB CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc(C)nc2)CC3)C1=O 2055795729 MGIJXGFECOMOCB-NRFANRHFSA-N 434.562 1.126 0 40 IDAB Nc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)[nH]c(=O)c1NC(=O)c1ccco1 2712526 HUHWRQGYTXPESF-UHFFFAOYSA-N 443.441 1.699 0 40 IDAB CN1C(=O)c2ccc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2C1=O 3168736 SAGKYMKISVXXSP-UHFFFAOYSA-N 447.444 1.325 0 40 IDAB Cc1ccc(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)cc1 3273629 YHFYXIRUWAXQFG-ACJLOTCBSA-N 440.905 1.858 0 40 IDAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 3405946 MIDKZVBYMXFTKG-UHFFFAOYSA-N 430.461 1.069 0 40 IDAB CCc1ccc(O[C@H]2O[C@@H](C(=O)OC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 5049633 DRXDDSAONXSIMP-KKKDIUQISA-N 438.429 1.321 0 40 IDAB Cn1c(=O)c2c(SCC(=O)N3CCCc4ccccc43)nc(C3CC3)nc2n(C)c1=O 6529962 MDDULOUSEWOWOW-UHFFFAOYSA-N 437.525 1.976 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCn2c(SC)nnc(C)c2=O)cc1 8860136 INPXONNTBHZYOR-UHFFFAOYSA-N 426.520 1.514 0 40 IDAB CCN(C(=O)CN1C(=O)S/C(=C\c2ccccc2OC)C1=O)[C@@H]1CCS(=O)(=O)C1 9430159 NBLPYLGNOWTTPP-KWZJRMENSA-N 438.527 1.767 0 40 IDAB O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 9569980 LMKHZFNPRSCHRY-UHFFFAOYSA-N 427.448 1.986 0 40 IDAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc2c(c1)OCO2 9631966 NQOPZTCABRNLRL-XBXARRHUSA-N 430.482 1.766 0 40 IDAB COc1cccc(NC(=O)COc2ccc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2)c1 9646174 ORCIAIWUVXIDKW-KRWDZBQOSA-N 432.498 1.972 0 40 IDAB COc1ccc(NC(=O)CSc2nnc(-c3nonc3NC(C)=O)n2C)c(OC)c1 9877998 PRSISGFGYISFEI-UHFFFAOYSA-N 433.450 1.572 0 40 IDAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NC(=O)Nc1ccc2c(c1)OCCO2 10913562 KDSDUZJVGPKUGB-UHFFFAOYSA-N 438.396 1.128 0 40 IDAB COCCCn1c(C(=O)Nc2cc(Cl)ccc2OC)cc2c(=O)n(C)c(=O)n(C)c21 11845164 JUPOUSBLVQYZSJ-UHFFFAOYSA-N 434.880 1.990 0 40 IDAB O=C(NCc1ccccc1F)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031045 ALSSIZLQLHIIKF-CQSZACIVSA-N 429.466 1.856 0 40 IDAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)c(OC)c3)C2=O)cc1 14162029 VSBMITMXHHIYQF-QFIPXVFZSA-N 440.456 1.469 0 40 IDAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)NCC(F)(F)F)cc1OCC 16772441 JNISNAOWFBQJAX-UHFFFAOYSA-N 449.382 1.145 0 40 IDAB CCCNC(=O)CN1CCN(CC(=O)Nc2ccc(I)cc2)CC1 19538030 MQRLHHKMTAFNAU-UHFFFAOYSA-N 444.317 1.374 0 40 IDAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CCN(C)CC1 20546397 RZSZIJUUEITTRM-SVMVAKDDSA-N 444.601 1.950 0 40 IDAB CCc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)s1 21149621 ISBKAJBLXHUDPP-UHFFFAOYSA-N 436.538 1.932 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 22069754 YOANTVKGZIEKRI-UHFFFAOYSA-N 430.427 1.000 0 40 IDAB Cc1cc(C)cc(N2C(=O)C[C@@H](N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)C2=O)c1 22528159 JNKVSZDCYLZMSB-DENIHFKCSA-N 449.507 1.920 0 40 IDAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)c1 22796439 AMLFMDNHJAKIQT-OAQYLSRUSA-N 441.507 1.828 0 40 IDAB NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)N4CCCC4)cc3)CC2)o1 40154128 ONCMYVUNFAADTC-UHFFFAOYSA-N 446.529 1.121 0 40 IDAB CN1CCN(S(=O)(=O)CC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1 58420959 RHLNOSPPWWLTLG-SFHVURJKSA-N 428.986 1.170 0 40 IDAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(CC(=O)N1CCC(C)CC1)C2 72345734 KTTSDQNMEWGOKQ-UHFFFAOYSA-N 428.581 1.861 0 40 IDAB C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 105347263 WOVDBFKGXHXRMP-NHRZQYMUSA-N 443.862 1.781 0 40 IDAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 219267515 SOSDGQVQJOXJTH-RHSMWYFYSA-N 425.551 1.932 0 40 IDAB CCOC(=O)N1CCN(C(=O)[C@H](CC)N(c2ccc(OCC)cc2)S(C)(=O)=O)CC1 220666884 QVNOKBHKVHWRJS-SFHVURJKSA-N 441.550 1.931 0 40 IDAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 222889415 SMDMFMSANJCGOH-KRWDZBQOSA-N 447.557 1.667 0 40 IDAB O=S(=O)(Cc1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224463443 ZKAPJEKKLNCYLZ-UHFFFAOYSA-N 440.543 1.206 0 40 IDAB C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225256065 ZOKCFVGJTJVWJF-GOEBONIOSA-N 448.497 1.569 0 40 IDAB CC(=O)Nc1ccnn1CCNC(=O)c1ccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)cc1 257221594 DPTRYXZGVXFALK-QRFRQXIXSA-N 426.477 1.378 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 408552650 MMGUWJHUCRONQT-CYBMUJFWSA-N 433.511 1.793 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N(c2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1C 575421159 HAGBXGOGIWQJCW-MSOLQXFVSA-N 425.528 1.671 0 40 IDAB CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OC)c2)C1 1746535051 JQCWVHVGTSSSCB-KRWDZBQOSA-N 430.534 1.848 0 40 IDAB COc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1S(=O)(=O)N1CCOCC1 3293509 MQPVUIFIBJJJLV-UHFFFAOYSA-N 442.497 1.726 0 40 IDAB CCC[C@@]1(C(=O)OC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 4388773 YITHMDNOIAFBJL-ACTFIFLWSA-N 434.489 1.690 0 40 IDAB CCCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@H](CCC(=O)OC)C(=O)OC 5396004 ZSLUCURJGQBZTH-SJORKVTESA-N 438.546 1.816 0 40 IDAB COc1ccc(N2CCn3c2nn(CC(=O)NCc2ccccc2Cl)c(=O)c3=O)cc1 8849324 QRNJWKRUXFTFKG-UHFFFAOYSA-N 441.875 1.535 0 40 IDAB COc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1OC 9094986 YONSTWJRDJGSTO-UHFFFAOYSA-N 436.486 1.986 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)n(C)c1=O 10021785 FHUDOOYYYUMFIW-UHFFFAOYSA-N 444.447 1.431 0 40 IDAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 10912026 HPWHPDZEVJVTEP-UHFFFAOYSA-N 440.385 1.342 0 40 IDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@@H]3CCCOC3)CC1)O2 12086669 OJVRJHUKHZYTNX-SEPYTNNBSA-N 429.517 1.552 0 40 IDAB Nc1c(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(=O)[nH]c(=O)n1C1CC1 12567636 SKEIBNCWOOXMGM-UHFFFAOYSA-N 425.474 1.417 0 40 IDAB Cc1nc2ncnn2c(C)c1CC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12920704 KJGDPLLDXSELBS-UHFFFAOYSA-N 446.508 1.346 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2C[C@@H](C(N)=O)Oc3ccccc32)c1 13095262 KKMOSANIQMOSBO-IBGZPJMESA-N 446.529 1.409 0 40 IDAB CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)Nc2ccccc2)CO1 13593410 XKJUQHQJVAGSIG-UHFFFAOYSA-N 429.498 1.707 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)c1 16187617 GLBGEBCPIYMPTM-UHFFFAOYSA-N 447.557 1.669 0 40 IDAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)CCn3c(C)csc3=O)ccc21 17153937 LJZGSRHSAOPZJD-UHFFFAOYSA-N 438.527 1.747 0 40 IDAB O=C(CCc1ccccc1)N1CCN(S(=O)(=O)c2c[nH]nc2-c2ccncc2)CC1 19370820 DRFULVPNRDNSBV-UHFFFAOYSA-N 425.514 1.937 0 40 IDAB CC(C)c1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCOC2)CC1 19451699 ZUOKFSACZVFTCK-QGZVFWFLSA-N 445.545 1.531 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccc(OC)cc3)C1)C2=O 19699606 ZJIABATWEKVJJY-QGZVFWFLSA-N 442.516 1.623 0 40 IDAB O=C1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 19961089 WEGLFFPWERSCCK-LBPRGKRZSA-N 438.271 1.978 0 40 IDAB CN(Cc1ccccc1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCCN1CCOCC1 20503815 XRHBGMXNLOKXFJ-RJGXRXQPSA-N 445.677 1.625 0 40 IDAB biogenic,in-vitro COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCCCn1c(=O)[nH]c2ccccc21 21763253 YHFIHYJPIJNION-UHFFFAOYSA-N 443.456 1.376 0 40 IDAB COCCCNC(=O)CN1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 22934518 CWBGXFHRPQWHPN-UHFFFAOYSA-N 442.354 1.491 0 40 IDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 27344533 HIUSKRJTCPJHNX-OAHLLOKOSA-N 441.561 1.741 0 40 IDAB COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(Cl)ccc1F)C(=O)OC 31808687 OWIXSENYGDBBLU-WMLDXEAASA-N 438.843 1.964 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(C)cc2Cl)c1=O 32958172 ADPIRXBRVUPXMG-UHFFFAOYSA-N 449.939 1.829 0 40 IDAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 35897755 FAPJLWGAGCABTC-BVIHXZOGSA-N 430.935 1.757 0 40 IDAB O=C(CN1CCN(C(=O)CN2CSCC2=O)CC1)Nc1ccccc1C(F)(F)F 36384050 UWFYECGSUDSJGN-UHFFFAOYSA-N 430.452 1.321 0 40 IDAB CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccs3)CC2)CC1 38731522 MDTFJZPXHPGZQQ-HZPDHXFCSA-N 425.576 1.194 0 40 IDAB Cc1cc(C)n2nc(CC(=O)Nc3cc(C(C)(C)C)nn3[C@@H]3CCS(=O)(=O)C3)nc2n1 40089942 IOURGZHYIFCFNY-CQSZACIVSA-N 445.549 1.776 0 40 IDAB CNS(=O)(=O)c1cc(/C=C/C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)ccc1OC 83882429 JAYYMCKRKILKOO-MNDMWVCDSA-N 444.513 1.042 0 40 IDAB COc1ccc(CCNC(C)=O)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 95454109 RXVYPPASMKZFTK-UHFFFAOYSA-N 431.558 1.880 0 40 IDAB Cc1cc(N2CCN([C@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1 95563900 WGRQANOPCQRCME-UXHICEINSA-N 426.590 1.566 0 40 IDAB O=C(N[C@H]1C=CS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 101513925 WCZIOJIMYNHZLV-LZWOXQAQSA-N 430.523 1.337 0 40 IDAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225083449 YFBFUFJTOIOAAJ-UHFFFAOYSA-N 445.497 1.907 0 40 IDAB CC(C)c1ccc(S(=O)(=O)N([C@@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1 575423811 QIDZSZWZGWSQIN-HZPDHXFCSA-N 435.589 1.175 0 40 IDAB COc1nc(CNS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)nc(N2CCOCC2)n1 575606749 LFPCUDFIVDYLEP-UHFFFAOYSA-N 446.489 1.159 0 40 IDAB COc1cc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)cc(OC)c1 932563 BYVXUSWGZIPJST-UHFFFAOYSA-N 447.517 1.763 0 40 IDAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 1357705 JNHUDBHMUSMDDS-KXBFYZLASA-N 432.550 1.758 0 40 IDAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 4986237 XMVLREGUEPGISF-UHFFFAOYSA-N 425.576 1.533 0 40 IDAB O=C1O[C@H](C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)Cc2ccccc21 8748568 ICTHYVWKMBHYKN-KRWDZBQOSA-N 434.445 1.567 0 40 IDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C 8880287 GHWJHXFSLIPAQW-JIUVDOBVSA-N 426.477 1.927 0 40 IDAB Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)n(-c2nc(O)cc(C(C)C)n2)n1 9038489 OFCYOYAUHZNWEX-UHFFFAOYSA-N 438.444 1.783 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 9767988 NCNLSSBSQORULQ-UHFFFAOYSA-N 439.559 1.337 0 40 IDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1c[nH]c(C(=O)N2CCCC2)c1 9995984 GMUQBDDWFDUKPQ-UHFFFAOYSA-N 432.502 1.080 0 40 IDAB CCCN(C(=O)CSc1nnnn1-c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 10886144 JPSPXLDUASEFHQ-CYBMUJFWSA-N 425.536 1.189 0 40 IDAB O=C(CCc1cccnc1)NCc1nnc2n1CCN(C(=O)Cc1cccc(F)c1)CC2 12099759 MSPRHQHECUCWCE-UHFFFAOYSA-N 436.491 1.689 0 40 IDAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1N1CCOCC1 13037947 KPYAZHNTWYPSEK-UHFFFAOYSA-N 444.557 1.468 0 40 IDAB CC[C@H](C)N(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 13117699 LAFVFWLVQDLLHA-WDUKFBBWSA-N 433.530 1.194 0 40 IDAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 14047732 KUEPCQZUGBMFGH-QGZVFWFLSA-N 442.545 1.423 0 40 IDAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 19239458 QCJXTQCSSSDMIU-RBUKOAKNSA-N 437.500 1.514 0 40 IDAB Cc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 19362760 AVFNTEPHYXMXBT-UHFFFAOYSA-N 430.526 1.755 0 40 IDAB COc1cc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2N(C)Cc2ccccc2)cc(OC)c1 20465958 BGBWLADNCITQMW-CIAFKFPVSA-N 445.516 1.447 0 40 IDAB biogenic,in-vitro CCCOc1ccc([C@]2(C)C(=O)N(CN3CCOCC3)C(=O)[C@@H]2CN2CCOCC2)cc1 20791396 ATLKMLJYBCDKDF-URXFXBBRSA-N 445.560 1.340 0 40 IDAB CCc1ccccc1NC(=O)CN1CCN(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 22797810 YKEWTVBIMBWWDI-UHFFFAOYSA-N 441.532 1.496 0 40 IDAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c1 23144444 MUPOQTZTFDVYCI-UHFFFAOYSA-N 444.517 1.499 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)nc4c3c(C)nn4C)CC2)cc1 24356458 PGVUDARSMNUNBF-UHFFFAOYSA-N 443.529 1.740 0 40 IDAB Cc1ccc(C(=O)NCC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 24655540 YFHROZVFRADSMX-UHFFFAOYSA-N 439.534 1.849 0 40 IDAB Cc1nc(NC(=O)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)sc1C(=O)N(C)C 38488419 ZLXWRYGLRFUOQE-ZDUSSCGKSA-N 439.563 1.507 0 40 IDAB COc1cc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)cc(OC)c1 57520576 JBXZOKZUAWBPDM-UHFFFAOYSA-N 445.501 1.413 0 40 IDAB O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NCCCc1n[nH]c(=O)[nH]1 72311595 VFAGJXBRQQROOF-UHFFFAOYSA-N 448.277 1.997 0 40 IDAB Cc1cnccc1CN1CCC(c2nc3c(c(=O)[nH]2)CN(S(=O)(=O)N(C)C)CC3)CC1 72399034 NDQIOUACUGXQFB-UHFFFAOYSA-N 446.577 1.017 0 40 IDAB Cn1nc([C@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)n(-c2ccccc2)c1=O 77148970 UCLUHVMCYITFEJ-KRWDZBQOSA-N 430.472 1.567 0 40 IDAB CS(=O)(=O)N(C[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)S(C)(=O)=O 77262411 IORDVXBRUULZFS-XYJFISCASA-N 444.531 1.014 0 40 IDAB biogenic,in-vitro O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1cccc(Cn2cccnc2=O)c1 84374448 KPESBRDJPUGYMF-UHFFFAOYSA-N 448.531 1.415 0 40 IDAB CC(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@]2(CC(=O)N(C)C2)C1 96143453 SRDCBIQJDGUJMT-LJQANCHMSA-N 442.969 1.613 0 40 IDAB COc1cccc(NC(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@]32CCNC2=O)c1 96262561 SBCIOCJZBMTTGT-QFIPXVFZSA-N 429.521 1.813 0 40 IDAB O=c1c(CN2CCCCCC2)coc(O)c1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 101374576 YRRZOAXMZNQRFR-SFHVURJKSA-N 439.578 1.026 0 40 IDAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)NCC(C)C)CC2)cc1 101481447 KXPJBPNDYNYWFB-CALCHBBNSA-N 439.578 1.668 0 40 IDAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)[C@H]2CCCN2C(C)=O)CC1 257222372 DTBDPMCCEPPSKU-GBEXAXCTSA-N 429.561 1.833 0 40 IDAB CNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2cc(OC)ccc2NC(C)=O)C1 257255988 KJRIEQJDYAGMLB-HSZRJFAPSA-N 439.516 1.767 0 40 IDAB CCS(=O)(=O)N1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccc(OC)cc1)C2=O 306123726 AURCSUBMYZTJOH-IRLDBZIGSA-N 445.541 1.637 0 40 IDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 922607 FCDCFSUXTBJKNP-CQSZACIVSA-N 426.516 1.397 0 40 IDAB CN(c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1cccs1 3256511 IWZKANRXCNVTRF-UHFFFAOYSA-N 437.543 1.676 0 40 IDAB COC(=O)CCn1c(=O)c2c(nc3n(-c4cccc(OC)c4)c(C)c(C)n23)n(C)c1=O 8706562 FEIDQCFFSKEMSF-UHFFFAOYSA-N 425.445 1.327 0 40 IDAB O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)C2CC2)CC1 8937565 MCPOCUAOBKEVBK-UHFFFAOYSA-N 449.451 1.334 0 40 IDAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1ccccn1 9060821 MRABKXRCCROMEB-IRXDYDNUSA-N 430.530 1.303 0 40 IDAB C[C@]1(CSc2ccccc2C(=O)NC[C@@H]2COc3ccccc3O2)NC(=O)NC1=O 9167207 FRBIYJMSRHXZGD-LRTDBIEQSA-N 427.482 1.947 0 40 IDAB NC(=O)c1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 9244400 RMMOPRRGFPVHII-UHFFFAOYSA-N 431.470 1.366 0 40 IDAB Cc1ccc(C)c(-c2nn(CC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c1 9256398 YQPUCNGLXUZGTC-MRXNPFEDSA-N 425.510 1.984 0 40 IDAB O=C1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)NC(N2CCN(c3ccccc3)CC2)=N1 9355699 KZRULPSYDLOSBS-SFHVURJKSA-N 435.484 1.463 0 40 IDAB CCCCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@]12C(=O)Nc1ccccc12 9428572 ZOQMJQPAPPSBKL-QFIPXVFZSA-N 444.440 1.411 0 40 IDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1=O 9666547 VOJFAEVNTVSPJB-FOIQADDNSA-N 431.470 1.267 0 40 IDAB NC(=O)c1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)cc1 9827601 QRSVCZWSIDLTJV-UHFFFAOYSA-N 431.518 1.264 0 40 IDAB O=C(CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ncccn2)CC1 11693270 PDGBTFXQICABPC-UHFFFAOYSA-N 448.462 1.250 0 40 IDAB NS(=O)(=O)c1ccc(NC(=O)CCCSc2ccc(NC(=O)C3CC3)nn2)cc1 11793973 KMGORKSQWHEUQZ-UHFFFAOYSA-N 435.531 1.984 0 40 IDAB O=C(COc1ccccc1F)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1 12163215 QABNCZUDYFXDMV-UHFFFAOYSA-N 436.509 1.258 0 40 IDAB CCc1cccc(OC[C@H](O)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 12289086 ZLWYKTKYQPZRHK-NVXWUHKLSA-N 441.532 1.662 0 40 IDAB COc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)c1 12445074 SNADJIJKLZXRRI-UHFFFAOYSA-N 447.557 1.651 0 40 IDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)cnc21 12765882 HPOIIZQLIUOALI-UHFFFAOYSA-N 429.864 1.847 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)CC2)cc1C 13006303 UQJITIGPZARKFT-YLJYHZDGSA-N 437.587 1.590 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N=C(N2CCN(c3ccccn3)CC2)N1 14607053 MLXPKEGCFHSWRV-INIZCTEOSA-N 442.907 1.749 0 40 IDAB O=C(Cn1cnc2c(cnn2[C@@H]2CCS(=O)(=O)C2)c1=O)Nc1ccc(F)c(Cl)c1 16849857 UGXDKXPAWODXIC-LLVKDONJSA-N 439.856 1.384 0 40 IDAB Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 17012880 OXMWABJTPDSCNL-UHFFFAOYSA-N 437.953 1.786 0 40 IDAB CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)o1 17247334 ZSFDUIBEVPCLQN-TXEJJXNPSA-N 426.520 1.983 0 40 IDAB COCCn1nnnc1[C@@H](c1ccc(OC)cc1OC)N1CCN(C2CCCC2)CC1 19594001 XEESOSPONBJQFR-OAQYLSRUSA-N 430.553 1.986 0 40 IDAB Cc1n[nH]cc1C(=O)N1CCO[C@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)C1 19759451 BGGOWRNKPBQQRP-QFIPXVFZSA-N 448.527 1.868 0 40 IDAB Cc1nc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)ncc1C(=O)NCc1ccccc1 19763544 FUAGUAIQXRDVDP-SFHVURJKSA-N 446.511 1.829 0 40 IDAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCCN1CCOCC1 19943623 SDCLMHOTSVETJT-UHFFFAOYSA-N 433.530 1.623 0 40 IDAB NC(=O)C1CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 20717258 WILLSDRXZXZVKP-UHFFFAOYSA-N 425.415 1.083 0 40 IDAB Cc1ccccc1N(CC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccccc1 22829400 YFDPDTOOUYBZHT-UHFFFAOYSA-N 444.601 1.944 0 40 IDAB CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 22851483 NEWQTUBLFXCYQT-IBGZPJMESA-N 442.491 1.670 0 40 IDAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCN(C)CC3)cc2c1 22929148 YLIZIECGSDPRBJ-NRFANRHFSA-N 449.515 1.891 0 40 IDAB CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1 23674130 SBDKDTQYCREJRI-UHFFFAOYSA-N 427.542 1.453 0 40 IDAB CCOC(=O)C1=C(CSc2nnnn2C[C@@H]2CCCO2)NC(=O)N[C@H]1c1ccccc1 29798597 MXKXHHDJIPDPJL-YOEHRIQHSA-N 444.517 1.816 0 40 IDAB C[C@H](NC(=O)c1ccccc1)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 32810661 QPOZADXRVGWPDV-INIZCTEOSA-N 433.505 1.867 0 40 IDAB CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 57731422 AXNLIVGBXIDXHH-ZDUSSCGKSA-N 427.486 1.964 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(S(N)(=O)=O)ccc21 100876805 TVZHOWZTSDYUBM-FXBPSFAMSA-N 441.437 1.543 0 40 IDAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H](c2cccnc2)c2sc(=O)[nH]c2S[C@H]31 100902033 MLQZGIPLWFHGLW-PYYQUQTDSA-N 443.506 1.389 0 40 IDAB CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 106918830 CRKDBJSCTDINCF-HRCADAONSA-N 426.535 1.802 0 40 IDAB CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222741675 WADWMKZASORNHN-QGZVFWFLSA-N 427.567 1.226 0 40 IDAB C[C@@]1(NC(=O)c2cccc(-n3cccn3)n2)CCN(C(=O)c2cccc(-n3cccn3)n2)C1 647728447 DASBRGALRNMNJH-HSZRJFAPSA-N 442.483 1.883 0 40 IDAB COc1cc(C(=O)NC[C@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)on1 1565555540 CLEXKTICGGCEIV-CQSZACIVSA-N 425.445 1.218 0 40 IDAB C[C@@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)[C@H](O)c1c(Cl)cccc1Cl 1630183193 YRIWNRUSZIWSSC-CLAHSXSESA-N 434.301 1.400 0 40 IDAB O=C(COn1nnc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccc(F)cc1 3429351 PHOXPKXCFXLMNS-UHFFFAOYSA-N 447.492 1.490 0 40 IDAB CCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C 6162563 ITCNSPIDZHJQNI-UHFFFAOYSA-N 431.518 1.892 0 40 IDAB COc1ccc(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OC 8992242 UUDCCJVZDFGLKP-UHFFFAOYSA-N 441.484 1.474 0 40 IDAB CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)oc(C)c1C(C)=O 9061683 JIGOJGCKPAIEEU-UHFFFAOYSA-N 434.426 1.751 0 40 IDAB C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12 9409955 BZQMLBXRCDTONP-AWEZNQCLSA-N 431.924 1.610 0 40 IDAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)cnc32)cc1C 9517821 ZUYKNWLWIGKTSN-UHFFFAOYSA-N 432.440 1.639 0 40 IDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCc2ccncc2)cc1 9715277 WOAITJKYWZUANR-LJQANCHMSA-N 444.557 1.756 0 40 IDAB C[C@H](OC(=O)CCOc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 10623174 LJWRTDVEMUBLKA-SFHVURJKSA-N 446.525 1.920 0 40 IDAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C 11978543 XYZBMQJAVCQOOJ-ZDUSSCGKSA-N 436.511 1.902 0 40 IDAB Cc1sc2nc(C(C)C)n3c(=O)n(CC(=O)N4CCNC(=O)C4(C)C)nc3c2c1C 12131658 GOAFEVAQGFPETC-UHFFFAOYSA-N 430.534 1.583 0 40 IDAB CCCn1c(N)c(C(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)c(=O)[nH]c1=O 12903705 CAIDWKIAPWJRIQ-UHFFFAOYSA-N 429.506 1.603 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)N3CCCC3)CC2)cc1 13108760 JJURKKFTVXJCJX-UHFFFAOYSA-N 437.562 1.615 0 40 IDAB NC(=O)c1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)/C=C/C(=O)O)c3)C2=O)cc1 13576424 XCQRFNGCIVMZAI-FDMDGMSGSA-N 439.449 1.789 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 14183415 IOSFMEGLZCOJDL-NRFANRHFSA-N 449.548 1.721 0 40 IDAB O=C(Cn1ncc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 15085583 RUDQGRPGZPKPMX-UHFFFAOYSA-N 428.470 1.056 0 40 IDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ncccn4)CC3)c(Cl)c2)C1=O 19797452 HZVGURJMUBGPRH-CYBMUJFWSA-N 449.920 1.405 0 40 IDAB C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20760321 XKLVJEDXEYQMDS-CYZXZAEJSA-N 432.480 1.434 0 40 IDAB biogenic CCn1c(=O)n(CC)c2cc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)ccc21 21174310 FBGOAJJOSSKBSS-UHFFFAOYSA-N 428.470 1.626 0 40 IDAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 22805538 HDOGHXRQMYDMFC-UHFFFAOYSA-N 445.608 1.380 0 40 IDAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccccc1OC(F)F 23636618 VKEOJJFROPVVME-UHFFFAOYSA-N 430.385 1.740 0 40 IDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 40134201 CWMDCEPQDCIJPG-INIZCTEOSA-N 429.502 1.154 0 40 IDAB Cn1nc([C@@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)n(-c2ccccc2)c1=O 77148969 UCLUHVMCYITFEJ-QGZVFWFLSA-N 430.472 1.567 0 40 IDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 102641427 FAPJLWGAGCABTC-JLUCKKNBSA-N 430.935 1.757 0 40 IDAB CCCn1c(C(=O)NC[C@H]2CCCN2c2nccs2)cc2c(=O)n(C)c(=O)n(C)c21 206779661 HTTRYCZRHAAJEG-CYBMUJFWSA-N 430.534 1.304 0 40 IDAB Cc1n[nH]cc1C(=O)N1CCN(C)[C@H](C(=O)N2CCC(Oc3cccc(F)c3)CC2)C1 257278169 OBDDJIITPWPLTD-FQEVSTJZSA-N 429.496 1.683 0 40 IDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 408597299 UTJULVYCQXIOPN-GFCCVEGCSA-N 427.504 1.038 0 40 IDAB CCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408659741 MVIJSNNZSCSTFG-LSOMNZGLSA-N 428.441 1.376 0 40 IDAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 514289556 KZJNZTNYZAKZAJ-CTNGQTDRSA-N 438.509 1.993 0 40 IDAB biogenic,in-vitro COc1cccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cnc4cc(OC)c(OC)cc43)[C@H]2O)c1 1534639724 AKHNARDTBQOZBP-FWKCKQQBSA-N 441.484 1.878 0 40 IDAB O=C(NCc1ccccc1)N1C[C@@H]2OCCS(=O)(=O)N(Cc3cccc(F)c3)[C@@H]2C1 1534645956 ZFQQWOUSSOKUQG-UXHICEINSA-N 433.505 1.950 0 40 IDAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@H]3C2)nn1 1888890054 CBLMXZWMFIGJIK-IAGOWNOFSA-N 435.594 1.340 0 40 IDAB O=S(=O)(N1CCCCCC1)N1CC[C@@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888901049 QPYRMZQLTMXCFL-CYBMUJFWSA-N 448.471 1.965 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N1C[C@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888930600 OVOACKVBVAELSC-CHWSQXEVSA-N 432.481 1.268 0 40 IDAB Cc1c(NC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 2479949 DLWRKMHURDDMQL-UHFFFAOYSA-N 448.435 1.196 0 40 IDAB CC(C)Cn1c(N)c(C(=O)COC(=O)CCc2nc3ccccc3s2)c(=O)n(C)c1=O 2625368 RTKFGJGDGNKVCU-UHFFFAOYSA-N 444.513 1.754 0 40 IDAB CC(C)[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC(N)=O 3426170 SZUFTFSDDKIZFC-GOSISDBHSA-N 437.452 1.902 0 40 IDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCc3ccccc3C1)n2CCCSc1ncccn1 6444845 NOKYUWJOKOMNFK-UHFFFAOYSA-N 449.540 1.958 0 40 IDAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 8709002 KBCCCLKUOGVKFN-KRWDZBQOSA-N 443.554 1.784 0 40 IDAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 8825785 DOUKPJNAFSTDFR-UHFFFAOYSA-N 436.461 1.169 0 40 IDAB O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)Nc1ccc2c(c1)OCO2 9001603 MASMQCBYQDOCEV-UHFFFAOYSA-N 431.408 1.369 0 40 IDAB Cn1c(=O)c2c(nc3n2CC(c2ccc(Cl)cc2)=NN3CC(=O)C(C)(C)C)n(C)c1=O 9707498 KLLCLIWAAPKGML-UHFFFAOYSA-N 442.907 1.927 0 40 IDAB CN(CC(=O)NCc1ccccc1CN1CCCC1)C1=NS(=O)(=O)c2ccccc21 9713076 PWJPEWVZZYCWSC-UHFFFAOYSA-N 426.542 1.980 0 40 IDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C2=O 9982169 JUQNTOPVXXTLDZ-OVWNDWIMSA-N 426.395 1.659 0 40 IDAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1C(N)=O 10490723 KQIGJCGRFFKIBB-UHFFFAOYSA-N 442.900 1.956 0 40 IDAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(F)cc3F)C2=O)cc1 10871008 NVRAVQNTZULGCV-FQEVSTJZSA-N 433.367 1.629 0 40 IDAB COc1cc(C(=O)O[C@@H](C(N)=O)c2ccccc2)ccc1OCC(=O)N1CCOCC1 11328685 ZNHGRKKVRWDAAG-HXUWFJFHSA-N 428.441 1.316 0 40 IDAB CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O 13425457 MMYOLAYKEMCIIR-BHYGNILZSA-N 434.537 1.253 0 40 IDAB O=C(CN1C(=O)COc2ccccc21)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 15969649 NGKMMVINTSEKDY-UHFFFAOYSA-N 446.481 1.176 0 40 IDAB CCc1ccccc1-n1c(SCC(=O)NCCCC(=O)OC)nnc1N1CCOCC1 19370306 DRVHEJNAVLVQGO-UHFFFAOYSA-N 447.561 1.828 0 40 IDAB CN(C)c1ncc(CN2CCO[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)cn1 19703008 VIBDVEFVPMRXLD-INIZCTEOSA-N 442.545 1.448 0 40 IDAB Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1 19750843 ZGQZJXWFLRWRNX-AWEZNQCLSA-N 425.464 1.837 0 40 IDAB CNCc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)n1 19760897 TUBSZBHNNHAWPH-SFHVURJKSA-N 444.561 1.307 0 40 IDAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 20020615 XSWFRIFIKGJNSP-MRXNPFEDSA-N 434.514 1.972 0 40 IDAB CC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc2ccccc2c1 23115287 XPHSDWOMZRNDQZ-KRWDZBQOSA-N 437.500 1.847 0 40 IDAB O=C(NCCNc1ncccn1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 32913201 MJDFKOHACJIHCP-UHFFFAOYSA-N 425.461 1.384 0 40 IDAB COCCN(C(=O)CSC(F)(F)F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 33150476 HNKSMIROGFPUHF-UHFFFAOYSA-N 432.424 1.400 0 40 IDAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1 33567220 KNNQWKTYXFUFIF-KBCRCOCESA-N 425.397 1.337 0 40 IDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OC)c3OCC(=O)O)C2=O)o1 33659348 MTQZTCMZIXFENJ-JYRVWZFOSA-N 430.369 1.631 0 40 IDAB CCOC(=O)[C@@H]1CSCCN1C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 40047059 CHCVUBWZGSGKIK-LAPQFRIASA-N 425.551 1.630 0 40 IDAB CCc1[nH]c(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c(C)c1C(=O)OC 40111550 QSLQURLDKFZJBH-UHFFFAOYSA-N 426.517 1.990 0 40 IDAB CCOCCCNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1 48343315 JAZAWTBPGNUYPE-FQEVSTJZSA-N 446.527 1.686 0 40 IDAB COc1ccc(CNC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)cc1 49421708 ZAWNLFMPVHHHNE-UHFFFAOYSA-N 431.445 1.540 0 40 IDAB CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 57517751 DMQBJQRBCCUDSL-JQISIZPESA-N 442.512 1.617 0 40 IDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O 70666265 LVVUXNUFPWOJOI-INIZCTEOSA-N 425.441 1.314 0 40 IDAB biogenic COC(=O)c1cc(NC(=O)CN(C)Cc2nc(C(F)(F)F)no2)cc(C(=O)OC)c1 95446871 OZCYPHVJTIJNAF-UHFFFAOYSA-N 430.339 1.732 0 40 IDAB CCOc1cccc2cc(C(=O)N3CCN(c4ccc(-n5cncn5)nn4)CC3)c(=O)oc12 96124229 SQUZAKLYFPYNSU-UHFFFAOYSA-N 447.455 1.525 0 40 IDAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 223084842 FNHZKVXJZJGJEZ-GOSISDBHSA-N 443.525 1.693 0 40 IDAB NC(=O)COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 225737468 SDZVVRJLBPOAEG-CQSZACIVSA-N 445.419 1.807 0 40 IDAB O=C1Cc2cc(S(=O)(=O)N3[C@H]4CC[C@H]3CC3(C4)NC(=O)N[C@H]4OCCC[C@H]43)ccc2N1 257266336 MCOOTYJYNQIGMU-BFIPOCKSSA-N 446.529 1.301 0 40 IDAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(Cl)c1 408636516 RKTGPHKOHALEHV-UHFFFAOYSA-N 441.893 1.381 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N(c2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1C 575421160 HAGBXGOGIWQJCW-QZTJIDSGSA-N 425.528 1.671 0 40 IDAB COc1ccc(S(=O)(=O)N(CCCCCC(=O)O)[C@H]2CCS(=O)(=O)C2)c(OC)c1 575426478 UFCGHZFUNXUGTK-AWEZNQCLSA-N 449.547 1.527 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccc(F)c(C)c3)C2)CC1 585283504 RCPJDHHXVDSLTD-QFIPXVFZSA-N 440.512 1.560 0 40 IDAB CN(C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1)S(=O)(=O)N1CCOCC1 1775974442 ROHPSMYWASAHFF-UHFFFAOYSA-N 425.461 1.119 0 40 IDAB Cc1cc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)nc(N2CCOCC2)n1 2069538882 IERYFVJLSHEAFC-UHFFFAOYSA-N 449.441 1.405 0 40 IDAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2)n(C)c1=O 8778504 LGJMDZIMWOESRL-CYBMUJFWSA-N 427.461 1.256 0 40 IDAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 9223044 CBVNKAMBPZPVDW-QGZVFWFLSA-N 437.566 1.088 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2cccs2)cc1 9806685 OUZGWSVPPYWORG-CQSZACIVSA-N 437.543 1.342 0 40 IDAB CC(C)OCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 10219780 VGWGFJSRMPAECZ-UHFFFAOYSA-N 438.481 1.310 0 40 IDAB O=C(C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1)N1CCC2(CC1)OCCO2 12408598 NQWMCBKQKSWDAI-LJQANCHMSA-N 441.528 1.644 0 40 IDAB O=C(COc1ccccc1)NCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 12890713 YOGFVLCCQHBFKF-UHFFFAOYSA-N 437.543 1.213 0 40 IDAB CCCCn1c(N)c(N(CCC)C(=O)CCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1=O 13004049 VKBJWPXYEDDVDP-UHFFFAOYSA-N 440.504 1.531 0 40 IDAB COC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc(C(=O)OC)c1 15012768 ISZLAEFJEGETSI-UHFFFAOYSA-N 438.433 1.658 0 40 IDAB COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 16030075 PLROOIZZXLNFSK-IRXDYDNUSA-N 434.518 1.658 0 40 IDAB biogenic C[C@@H](C(=O)N1CC[C@@H](c2nc(O)c3c(n2)CN(C(=O)C2CCC2)CC3)C1)N1CCCC1=O 19077699 HATHACQBBNNPTH-GOEBONIOSA-N 441.532 1.194 0 40 IDAB CC(=O)N1CCN([C@@H]2[C@@H](O)[C@H](NCc3ccc(-c4ccccc4)cc3)[C@H]3CO[C@@H]2O3)CC1 20463655 KDJXFGHNVIFVJZ-UUFXTFJOSA-N 437.540 1.461 0 40 IDAB biogenic,in-vitro COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1)C(=O)OC 20763061 ZUWJYCHFZLPDJI-LPHOPBHVSA-N 430.461 1.570 0 40 IDAB biogenic COc1ccc([C@@H](CNS(=O)(=O)c2cc(OC)ccc2OC)N2CCN(C)CC2)cc1 22795073 MECHFLCOEIKGPE-HXUWFJFHSA-N 449.573 1.979 0 40 IDAB CCOC(=O)Nc1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 24755105 DGDWZRAWGYBTTH-UHFFFAOYSA-N 447.469 1.595 0 40 IDAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36312366 SMHJYMCIPNEPTG-UHFFFAOYSA-N 437.587 1.834 0 40 IDAB CCn1nc(C)c(CNC(=O)c2nc(CC(=O)Nc3ccccc3C(=O)OC)no2)c1C 36365795 CDNCKKVWBBUUMG-UHFFFAOYSA-N 440.460 1.801 0 40 IDAB CN(C)C(=O)N1CCC(C(=O)Nc2cc(C(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)CC1 40088477 IHIBDIUZFJLKRM-OAHLLOKOSA-N 439.582 1.872 0 40 IDAB C[C@H](Sc1ncn[nH]1)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 40152766 WGVPPORTVSTFDP-NSHDSACASA-N 449.480 1.837 0 40 IDAB COC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(C)cc1 46086783 IMHVERDXLNBNCL-IBGZPJMESA-N 425.485 1.132 0 40 IDAB O=C(NCc1cccnc1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945243 UTMMVHQVIFIJGY-NRFANRHFSA-N 433.512 1.971 0 40 IDAB COCCN(CCOC)C(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21 57731635 FZPBQLDDIBVISY-UHFFFAOYSA-N 440.504 1.386 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC[C@@H](O)COCC3CC3)CC2)c(C)c1 72311679 YHEZJGFTTUMKHK-HXUWFJFHSA-N 438.590 1.916 0 40 IDAB CS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1 72393292 LBQGCUNOUIQHGP-UHFFFAOYSA-N 428.510 1.816 0 40 IDAB C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC(OCCCN(C)C)CC1 79014252 BEIYHBMBGCMFHC-CQSZACIVSA-N 444.498 1.980 0 40 IDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@H]3C(C)(C)O)c(Br)cc21 89761629 YEPNAMSAGBMCBK-AWEZNQCLSA-N 432.340 1.564 0 40 IDAB COC(=O)Cn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cc3c(cc21)OCCO3 101035410 WGRQDKBVCMEGCH-KTVWJZFRSA-N 442.449 1.914 0 40 IDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)c1 225944162 SOKZAOLFLGMXCP-QGZVFWFLSA-N 443.522 1.661 0 40 IDAB CCc1noc(CCC(=O)N2CCN(C)[C@@H](C(=O)NCc3ccc4c(c3)CCCO4)C2)n1 257312173 UMTOZGMJWMHVRZ-GOSISDBHSA-N 441.532 1.349 0 40 IDAB O=C(Cc1cccnc1)N1CC2(C1)CN(c1ncccn1)C[C@]21C(=O)Nc2ccccc21 306135940 PEZUUOPACAMGOE-DEOSSOPVSA-N 426.480 1.653 0 40 IDAB Cc1ncc2n1C[C@@H](C(=O)NCC(C)(C)CNC(=O)[C@H]1CCc3cnc(C)n3C1)CC2 520629462 MXQGETDGZTXSBJ-ROUUACIJSA-N 426.565 1.780 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(C(=O)c1ccncc1)C2 1549166466 DYOIZBCHUXMVAQ-NRFANRHFSA-N 448.523 1.783 0 40 IDAB Cc1noc(C)c1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243188 QCLVJACNBSLBSU-HNNXBMFYSA-N 430.486 1.350 0 40 IDAB COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCCOC(C)=O 2957355 HCDLBDLZKDWYBW-BOPFTXTBSA-N 426.425 1.874 0 40 IDAB NC1=NC(=O)[C@@H](CC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)S1 3331533 WDUQXKHBFMQLDC-MRXNPFEDSA-N 426.454 1.995 0 40 IDAB Cn1ccnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 8686215 KFVUNSOWZUZESI-UHFFFAOYSA-N 430.939 1.825 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)CC(=O)N3CCOCC3)cc2)cc1 8938560 GCUNYTWGEUTZMS-UHFFFAOYSA-N 445.541 1.751 0 40 IDAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 9155983 DGBSTIBFPBBNSC-KRWDZBQOSA-N 431.452 1.881 0 40 IDAB CCn1cnc2c1c(=O)n(CC(=O)NCCc1ccc(F)cc1)c(=O)n2Cc1ccccc1 9338175 UQRLFONQMWIDPK-UHFFFAOYSA-N 449.486 1.926 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 9549387 YWJMZDMABJFYKY-UHFFFAOYSA-N 446.529 1.142 0 40 IDAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCO3)c(=O)n2C 9571738 RUSTYKBDVIJIMH-UHFFFAOYSA-N 426.429 1.424 0 40 IDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 9639514 IPAHLLWFONFBNZ-ZQDZILKHSA-N 430.457 1.872 0 40 IDAB COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cn1 9736105 PQPDANFOPYSCGW-UHFFFAOYSA-N 430.530 1.795 0 40 IDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9750285 LZVOKALYSLEIGZ-INIZCTEOSA-N 427.482 1.860 0 40 IDAB O=C(NCCNS(=O)(=O)c1cccc2nonc12)c1cccc(Br)c1 12390620 JBIOKLMAVJHSBH-UHFFFAOYSA-N 425.264 1.694 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CNC(=O)c2ccco2)c1 12530502 QSMPNOXIVKADIY-UHFFFAOYSA-N 437.474 1.222 0 40 IDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12920993 ZCWIRMLSQYQDQT-UHFFFAOYSA-N 430.574 1.991 0 40 IDAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 13101412 WCONIVAKCOLFJR-SFHVURJKSA-N 446.525 1.888 0 40 IDAB CCOC(=O)C1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(OCC)cc2)CC1 13633347 CUTSEJONHLCPSG-UHFFFAOYSA-N 426.535 1.898 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3ccncc3)CC2=O)cc1 17168299 QUBOAEQPWLEGBW-QGZVFWFLSA-N 430.530 1.781 0 40 IDAB CC(C)S(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19451108 YOIYGFAZJDGJFV-GOSISDBHSA-N 445.545 1.629 0 40 IDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)NCc3ccco3)CC1)CNC2=O 19562803 YXUHAAPPDIZSMX-QFIPXVFZSA-N 427.457 1.478 0 40 IDAB CC(=O)NCC(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1c[nH]c3ccccc13)C(=O)CC2 19698373 BRKRNQLRTHXDBP-UHFFFAOYSA-N 448.527 1.883 0 40 IDAB COc1ccc2c(c1)C=C(CN1CCc3nc(N)c(C(=O)N4CCOCC4)cc3C1)CO2 19701091 RUMDGEJIGAIMNA-UHFFFAOYSA-N 436.512 1.979 0 40 IDAB Cc1nnsc1C(=O)N1CCO[C@H](c2c(C(=O)N(C)CCO)sc3ncccc23)C1 19702848 JGWDBAGBBRFZHS-ZDUSSCGKSA-N 447.542 1.734 0 40 IDAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(S(=O)(=O)c1ccccc1)C2 19710673 CPSOFISJLCPNPF-UHFFFAOYSA-N 429.546 1.991 0 40 IDAB Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 19767128 TYKJFTVMDOMYGI-IBGZPJMESA-N 445.545 1.429 0 40 IDAB COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCN(C)CC2)cc1 19819990 ZCWKUDSWFLMWOZ-FQEVSTJZSA-N 447.557 1.733 0 40 IDAB CC[C@H](C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N 20793019 RKILLWFNNIHRGV-ZDUSSCGKSA-N 440.595 1.696 0 40 IDAB Cn1c(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)cc(=O)n(C)c1=O 27973048 KXBQWPJMFXBZJK-UHFFFAOYSA-N 434.250 1.332 0 40 IDAB Cn1c(=O)c(C(=O)CN2CCN(c3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O 36408744 LIOAIUGYLUPYTE-UHFFFAOYSA-N 433.512 1.182 0 40 IDAB CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 36411685 OBNBHYQEYRONSE-JRSUCEMESA-N 438.429 1.457 0 40 IDAB biogenic CCOC(=O)[C@@H]1CSCCN1C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 40047055 CHCVUBWZGSGKIK-CKNLXJGOSA-N 425.551 1.630 0 40 IDAB COc1ccc(N2C(=O)CN(CCc3cccc(OC)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 56998081 OLOJIFBFXVFXQT-NHCUHLMSSA-N 430.526 1.761 0 40 IDAB COCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O 57485968 KPZFJQNJEDFEJJ-UHFFFAOYSA-N 446.504 1.359 0 40 IDAB Cc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCC3)N(C3CC3)C(=O)[C@H]24)no1 100436316 RDQVWFSCWYQCKD-VBPIOOKNSA-N 426.473 1.293 0 40 IDAB COc1cccc(CN(Cc2ccccn2)CC2C(=O)N(C)C(=O)N(C)C2=O)c1OC 100725605 KOZTYLDLPTYVDU-UHFFFAOYSA-N 426.473 1.768 0 40 IDAB COc1ccc(NC(=O)[C@](C)(NS(C)(=O)=O)c2ccc(F)cc2)cc1C(=O)N(C)C 225958791 GJISWQKSEUPUTD-HXUWFJFHSA-N 437.493 1.939 0 40 IDAB Cn1cc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CN[C@H]3C=CS(=O)(=O)C3)CC2)n1 257234462 GTPNNFNMZJEONX-WDSOQIARSA-N 443.573 1.772 0 40 IDAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257262792 LMYCIFRGELHRQD-IRXDYDNUSA-N 426.439 1.739 0 40 IDAB Cn1ccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCC(O)CC3)CC2)n1 257297141 RGBWHHZYWYQSID-FIXSFTCYSA-N 426.561 1.848 0 40 IDAB CN(c1cccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c1)S(C)(=O)=O 260772540 ZACBGPKODNRSJF-KRWDZBQOSA-N 425.532 1.654 0 40 IDAB Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(c4nccn5c(C)nnc45)C3)CC2=O)cc1C 575608405 SLDYDUVHKWUFBX-ZWKOTPCHSA-N 433.516 1.798 0 40 IDAB CC(C)N1CCOCCOc2ccc(C(=O)NC[C@@H](O)CO)cc2Cc2cccc(c2)C1 2037949479 GGFYSHABUVXOEF-HSZRJFAPSA-N 442.556 1.980 0 40 IDAB COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)NC(N)=O)nc2c1 2652054 IFIHNYQVWSPCHL-UHFFFAOYSA-N 436.471 1.924 0 40 IDAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2C)c1 3495627 VHRKOEQPJGNZTC-UHFFFAOYSA-N 433.515 1.869 0 40 IDAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)NC[C@H]1COc2ccccc2O1 8756485 GQQPNLXKKDUAJM-INIZCTEOSA-N 427.457 1.624 0 40 IDAB C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc(Cl)cc1 8853046 HLNVRHRMVBOCHR-FZMZJTMJSA-N 441.893 1.376 0 40 IDAB CN(Cc1ccccc1N1CCOCC1)C(=O)CNC1=NS(=O)(=O)c2ccccc21 8900991 HGKPYOCFRCDTES-UHFFFAOYSA-N 428.514 1.220 0 40 IDAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCCc2ccc(OC)cc2)n1 9038154 BCBAUZLBCZPKBQ-UHFFFAOYSA-N 438.488 1.523 0 40 IDAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9516135 UJDKPIAGUWPAQN-NRFANRHFSA-N 444.509 1.685 0 40 IDAB COc1ccc(CN(C)C(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)cc1 9579350 ZIVZJLHPPZHDQA-UHFFFAOYSA-N 433.530 1.365 0 40 IDAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)c1 12322894 KYDJFKLAGUTNJT-ZDUSSCGKSA-N 427.461 1.842 0 40 IDAB Cc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(Br)c1 12914433 VIBJLDFISDQSEN-NSHDSACASA-N 428.308 1.862 0 40 IDAB NC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N(C3=CCCCC3)C3CC3)CC2)cc1 12999998 HXQVJPCRPUYMIV-UHFFFAOYSA-N 446.573 1.541 0 40 IDAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc21 13019007 RWXAXCVVPOFQEM-UHFFFAOYSA-N 447.417 1.599 0 40 IDAB COc1cc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1OCC(N)=O 14244048 CYKLDWHZZFLSSV-CQSZACIVSA-N 439.472 1.982 0 40 IDAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 15008555 HXTSRTDUXRAEJD-LFIBNONCSA-N 434.470 1.524 0 40 IDAB CCn1c(S[C@H](C)C(=O)NC(=O)NC(C)(C)C)nc2cc(S(N)(=O)=O)ccc21 17039293 QEMLTCVMXBCCPJ-SNVBAGLBSA-N 427.552 1.809 0 40 IDAB Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1N 19242196 SNWNBMBZFQRATJ-UHFFFAOYSA-N 431.514 1.408 0 40 IDAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccc(F)cc3)C1)C2=O 19699568 FXPKWKAXVNOIQH-GOSISDBHSA-N 444.507 1.682 0 40 IDAB CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2ccnn2C)CCO1 19702915 ZIKPRZUNAYFGLC-HNNXBMFYSA-N 429.502 1.308 0 40 IDAB CCN1C(=O)[C@@H]2[C@@H](c3ccccc3F)N[C@@](Cc3ccc(O)cc3)(C(=O)OC)[C@@H]2C1=O 20150544 DVARYMCFDJNTDD-PABYOWBDSA-N 426.444 1.951 0 40 IDAB Cn1c(=O)c2c(SCCN3CCOCC3)nc(-c3ccccc3Cl)nc2n(C)c1=O 20665131 RTTCFYWXCUYDMP-UHFFFAOYSA-N 447.948 1.772 0 40 IDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 22787146 AURXXRHCEDFPCC-AWEZNQCLSA-N 441.513 1.630 0 40 IDAB O=C(CN1CCN(Cc2ccsc2)CC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 23264094 RWNPHCNQBYSSEL-IBGZPJMESA-N 425.620 1.824 0 40 IDAB CCOC(=O)c1cnn(-c2ccc(C(=O)NC3CCN(S(=O)(=O)CC)CC3)cc2)c1C 24824505 YGLNXJOPNWZCTG-UHFFFAOYSA-N 448.545 1.901 0 40 IDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 24839452 DAWWTDIVSYPWIT-STQMWFEESA-N 442.028 1.931 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(CC(N)=O)cc3)CC2)cc1 32045968 BKRQFKICEXZUFP-UHFFFAOYSA-N 431.514 1.762 0 40 IDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 32780867 RTEWBMURJXZATO-UHFFFAOYSA-N 429.502 1.698 0 40 IDAB O=C(NC[C@H]1CCCO1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945554 SLGBFKGBWPQNEW-WOJBJXKFSA-N 444.507 1.693 0 40 IDAB O=S(=O)(NCCCN1CCN(c2ncccn2)CC1)c1ccc(Cl)nc1Cl 58084688 SXMYPLDCVRFJLA-UHFFFAOYSA-N 431.349 1.669 0 40 IDAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)cc1 79110989 RXBHDJMHGCIXHW-KRWDZBQOSA-N 430.530 1.757 0 40 IDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)O)CC1 100775187 FGJHHMJVTCZYHE-WCVJEAGWSA-N 425.526 1.898 0 40 IDAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 104215872 JVCFOTLYRLWUKM-MSOLQXFVSA-N 437.562 1.183 0 40 IDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 108017162 WOGRMDMRZQEQQQ-MRXNPFEDSA-N 431.514 1.427 0 40 IDAB CCOc1ccc(N(CCCC(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1 222621844 MCZRKBUHAHMLLV-UHFFFAOYSA-N 427.567 1.470 0 40 IDAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1F 224549144 VAOADRTZDCIICW-UHFFFAOYSA-N 435.521 1.740 0 40 IDAB C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 253373967 KTMPNFKAMZQMQF-LRAJWGHMSA-N 434.514 1.095 0 40 IDAB CCN1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 257208727 BNKGWQBOQWSFGK-VQTJNVASSA-N 449.511 1.339 0 40 IDAB Cc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H](C)O)CC2=O)cc1 408616526 ZJAUKGOMXMLKBF-DLBZAZTESA-N 425.485 1.862 0 40 IDAB CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 524730043 SHRIEBVKGSKUHS-JTDSTZFVSA-N 444.557 1.872 0 40 IDAB biogenic Cc1c(C)[n+]([O-])c([C@@H](c2ccc(C(C)C)cc2)C2C(=O)NC(=O)NC2=O)n1CCN(C)C 524734681 CCMSMXIOXFFQHW-SFHVURJKSA-N 441.532 1.537 0 40 IDAB Cc1cc(C(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)nc2nc(O)nc(O)c12 557566752 RWLXMFHNOQFVEF-GOSISDBHSA-N 448.527 1.777 0 40 IDAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1 810422 MDOHMLFHWCMGHH-UHFFFAOYSA-N 447.513 1.572 0 40 IDAB COc1ccc2c(C)c(CC(=O)N[C@@H](CCCCNC(N)=O)C(=O)O)c(=O)oc2c1C 2126899 RCUBXHXUESUAKV-HNNXBMFYSA-N 433.461 1.369 0 40 IDAB biogenic Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 3446397 ALIYRKIJXKVLOL-AWEZNQCLSA-N 425.532 1.140 0 40 IDAB CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](CO)O[C@@H](n2cnc3cc(C)c(C)cc32)[C@@H]1OC(C)=O 8740370 OKTXAXMQJTYAFD-YMQHIKHWSA-N 434.445 1.338 0 40 IDAB biogenic Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)NCc1ccco1 8881691 WIGJTIFWTQSFPX-IHVVCDCBSA-N 441.893 1.670 0 40 IDAB COCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O 9433940 XXVALQCLLLNFGZ-HYBUGGRVSA-N 434.496 1.649 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCO3)cc1 9502842 ONDBTGXJVOAXOH-UHFFFAOYSA-N 433.486 1.814 0 40 IDAB CC(=O)N1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2C(N)=O)C1 12378146 VFZXOUAYPCZKAE-UHFFFAOYSA-N 440.481 1.657 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)n(C)c1=O 12647648 GVQVGHNLFSOLFZ-UHFFFAOYSA-N 448.487 1.057 0 40 IDAB CCOc1ccccc1-c1nnc(SCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 12683218 JIYYZWYHUBUORU-LLVKDONJSA-N 440.503 1.240 0 40 IDAB COc1ccc([C@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)N2CCOCC2)cc1 12904616 IXPSZAXBUQXQSB-SFHVURJKSA-N 430.505 1.049 0 40 IDAB CCOc1ccccc1N(CC(=O)NCCOC)C(=O)CCC(=O)Nc1ccccn1 13151156 SSXUMSAZZRZIFH-UHFFFAOYSA-N 428.489 1.995 0 40 IDAB CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)Cc1nc2ccccc2c(=O)[nH]1 13164050 NYHQVWZKOLHQRC-UHFFFAOYSA-N 449.511 1.428 0 40 IDAB CCn1nnc2c(N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)ncnc21 13534607 SNVCQVGWYYYNDD-UHFFFAOYSA-N 441.439 1.771 0 40 IDAB CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCCO2 14101681 TXNYLMBGZKAFLW-UHFFFAOYSA-N 426.516 1.577 0 40 IDAB COc1ccccc1NC(=O)CSc1nc(C2CC2)nc2c1c(=O)n(C)c(=O)n2C 17148795 CFBMTYLAKYHTBX-UHFFFAOYSA-N 427.486 1.644 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3ccc(OC)c(OC)c3)CC2=O)cc1 20744560 GMIDINMCPAUQAN-AWEZNQCLSA-N 427.457 1.820 0 40 IDAB O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc(N2CCCCCC2)cc1 22802170 PZXCMSWDRUKQJI-UHFFFAOYSA-N 443.592 1.482 0 40 IDAB COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1 22916526 ZZSSUAKLPNEEPY-OAHLLOKOSA-N 432.546 1.879 0 40 IDAB CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 26390111 AFUAEARLVZSANV-UHFFFAOYSA-N 431.470 1.770 0 40 IDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Cc2csc(Cc3ccccc3)n2)C[C@@H](C)O1 29186651 BVURFIBXNOIHBK-IYBDPMFKSA-N 437.587 1.832 0 40 IDAB COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCOCC1 30595755 UMTZKGQVCHUYDT-ZDUSSCGKSA-N 433.324 1.470 0 40 IDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@@H](C(=O)OCC)C3)cc(C3CC3)nc21 32059886 BXNRWEDRXXMABQ-CQSZACIVSA-N 428.489 1.788 0 40 IDAB C[C@@]1(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CCS(=O)(=O)C1 32970970 UYDLJXNTCFGCAR-HXUWFJFHSA-N 436.555 1.571 0 40 IDAB CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)s1 34859797 SDSJQHXDLGYEBG-UHFFFAOYSA-N 427.577 1.839 0 40 IDAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 38828167 NFPXJMYBRZBBSD-LLVKDONJSA-N 433.852 1.333 0 40 IDAB COc1ccc(CNC(=O)Cn2nc3nc(Nc4ccccc4)ccn3c2=O)cc1OC 57507491 HEAYJYZLWDVXPK-UHFFFAOYSA-N 434.456 1.968 0 40 IDAB O=C(Cn1nc(N2CCSCC2)ccc1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 71283191 JAVWMXBUCUODQN-UHFFFAOYSA-N 448.976 1.960 0 40 IDAB COc1ccc(OC)c([C@@H]2C[C@H](C(=O)NCc3cccs3)N(C)S(=O)(=O)N2)c1 72335002 MXXAHOQMNLZBPU-JKSUJKDBSA-N 425.532 1.661 0 40 IDAB COc1ccc(CCNC(=O)Cn2ncc3cc(OC)c(OC)cc3c2=O)cc1OC 94993071 NRUFKOREZUZNGN-UHFFFAOYSA-N 427.457 1.790 0 40 IDAB O=C(NCCc1ccncc1)c1cn(-c2nc(CN3CCOCC3)c3ccccn23)cn1 96267063 ZHGFGDDDFPUQFH-UHFFFAOYSA-N 431.500 1.720 0 40 IDAB CC1(C)NC(=O)N(CCC(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)C1=O 100145792 FSDVWXPQHJJPOX-IRXDYDNUSA-N 439.516 1.641 0 40 IDAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@@]34C=C[C@H]2O4)cc1OC 107077247 WNDGURXLUQSKEF-NNHNJENNSA-N 439.468 1.646 0 40 IDAB Cc1c([C@@H]2C[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)N(C)S(=O)(=O)N2)cnn1C 208531400 JLROMDGKMIGZFX-LSDHHAIUSA-N 447.439 1.845 0 40 IDAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)c2)CC1 225058849 OLNFMMQTIOTJJN-UHFFFAOYSA-N 446.554 1.788 0 40 IDAB COC(=O)c1sccc1S(=O)(=O)NCc1nnc2c(-c3nc(C)no3)cccn12 225749878 VYOMVEZGRRBPJA-UHFFFAOYSA-N 434.459 1.414 0 40 IDAB CN(C)C(=O)CN1C[C@H]2CC[C@H](C(=O)N3CCCCC3)N2c2ccccc2S1(=O)=O 306129558 IGVUHIMKJCIHKZ-SJLPKXTDSA-N 434.562 1.129 0 40 IDAB O=C1CCc2cc(S(=O)(=O)NCc3nnc4n3CC[C@@H](C(F)(F)F)C4)ccc2N1 575609055 XZVPCKHUIXRYCA-LLVKDONJSA-N 429.424 1.766 0 40 IDAB CCOC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccc(F)c(C)c3)C2)CC1 585283503 RCPJDHHXVDSLTD-JOCHJYFZSA-N 440.512 1.560 0 40 IDAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3c(O)ncnc3C2)c(C)c1 680224292 WGIXZMUFNFHUCN-GOSISDBHSA-N 430.530 1.845 0 40 IDAB CCN1C(=O)[C@H]2CN(C(=O)c3cccc(-c4cnc5nc(O)n(C)c5c4)c3)CCN2C1=O 681224449 XJBGIAOWZMUMFM-QGZVFWFLSA-N 434.456 1.449 0 40 IDAB O=C(CCn1cnc2ccccc2c1=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888898026 NNAWQELJVHCXOL-UHFFFAOYSA-N 432.406 1.944 0 40 IDAB NC(=O)NCCC[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 2140278 SPDVCKVVLULAFV-MRXNPFEDSA-N 431.445 1.069 0 40 IDAB biogenic O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccco1 2498347 FJTQJWZYJWFTMZ-UHFFFAOYSA-N 438.465 1.773 0 40 IDAB Cn1c(N)c(C(=O)COC(=O)CCCSc2ccc(Cl)cc2)c(=O)n(C)c1=O 3280853 NFZPTSAFBIJZKZ-UHFFFAOYSA-N 425.894 1.618 0 40 IDAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O 3593679 STADJFLLGCQLTG-OAQYLSRUSA-N 444.875 1.685 0 40 IDAB CC[C@@H](CO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl 8926307 ADKZLPSUQMFQGQ-JTQLQIEISA-N 426.304 1.972 0 40 IDAB CCCn1c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nnc1-c1ccncc1 9712627 XMAVDOBCMQYBPT-UHFFFAOYSA-N 427.490 1.492 0 40 IDAB COc1ccc(N(CC(=O)NCCCN(C)C)S(=O)(=O)c2ccccc2)c(OC)c1 10111358 MZZNUNBEIIJXFE-UHFFFAOYSA-N 435.546 1.967 0 40 IDAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCCCOC(C)C)CS(=O)(=O)C2 10250577 ZAMRMFCCSAEZIL-UHFFFAOYSA-N 434.518 1.479 0 40 IDAB O=C(NCCNC(=O)c1ccccc1F)c1nc(CS(=O)(=O)c2ccccc2)no1 12376817 JKZKRVIHVVBJHD-UHFFFAOYSA-N 432.433 1.342 0 40 IDAB CCn1c(CCC(=O)Nc2cccc(C(N)=O)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 12519893 ZYQAHLXBMJVNJR-UHFFFAOYSA-N 443.529 1.977 0 40 IDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12599240 MQAONDYLTZKIMR-YCRPNKLZSA-N 439.468 1.727 0 40 IDAB O=C([C@@H]1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2O1)N1CCOCC1 13008644 FUYULAHOFDNKGL-FQEVSTJZSA-N 449.463 1.326 0 40 IDAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2ccc(F)cc2)CC1 16187625 RSKSWFQOOLOPFW-UHFFFAOYSA-N 439.484 1.943 0 40 IDAB COc1ccc([C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)N2CCCC2)cc1 17911969 JXLQUEUGXDJGKM-IBGZPJMESA-N 433.530 1.918 0 40 IDAB CC(=O)N1CCCN(C(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)CC1 19017617 UPMOLZDIIMNDPB-QHCPKHFHSA-N 427.501 1.484 0 40 IDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20489244 UXIMBHDBENQQBR-UHFFFAOYSA-N 440.525 1.468 0 40 IDAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCN1C(=O)c3ccccc3C1=O)C2=O 21868860 VVLIJCRJZPBREI-XMHCIUCPSA-N 427.457 1.920 0 40 IDAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 22332793 XFAYJMSHILPKGG-AWEZNQCLSA-N 440.543 1.742 0 40 IDAB CCOc1ccc(N(CC(=O)NC)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 27914538 VNVFYSIMOVWZCQ-UHFFFAOYSA-N 432.502 1.217 0 40 IDAB Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CC4)[C@H](C(=O)NC4CCCC4)[C@@]34C=C[C@]2(C)O4)no1 35289990 GIROLZLCWUZLJH-RQKGZFLVSA-N 440.500 1.683 0 40 IDAB CCOC(=O)C1=C(CN2Cc3ccccc3C[C@@H]2C(=O)NC)NC(=O)N[C@H]1c1ccco1 36390221 LDAZPUDDUJMEIJ-XLIONFOSSA-N 438.484 1.624 0 40 IDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCNC(=O)C[C@@H]1c1ccccc1 48235421 XYJQGTFZYVPFPX-MGPUTAFESA-N 442.541 1.175 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)c1 57615378 ZRJYNFFHKSEWFQ-KRWDZBQOSA-N 441.550 1.151 0 40 IDAB Cc1nccn1-c1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)ccn1 58367235 RWCBYINKBAOWOA-UHFFFAOYSA-N 431.474 1.120 0 40 IDAB O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1C[C@H](O)CN1CCc2ccccc2C1 60330173 AMBXSCISMAPFQU-BVAGGSTKSA-N 448.567 1.992 0 40 IDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCc3ccccc3[C@@H]2CO)C1=O 79074989 UYOUVTFSCXSZLS-RDPSFJRHSA-N 436.512 1.553 0 40 IDAB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CN1CC[C@@H](CO)C1 84774485 GRIRDPJDBHHMAY-QGZVFWFLSA-N 440.610 1.816 0 40 IDAB COc1cccc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)c1OC 96114391 DQGTUUIAWHMUOU-UHFFFAOYSA-N 432.381 1.186 0 40 IDAB biogenic O=C(c1ccncn1)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 96145894 YIBYBVJTLYYCRH-ROUUACIJSA-N 428.514 1.943 0 40 IDAB COc1cccc(CCNC(=O)c2ccc3nnc([C@H]4CCN(S(C)(=O)=O)C4)n3c2)c1 96156302 UMYYCDQLPDDVJE-INIZCTEOSA-N 443.529 1.459 0 40 IDAB O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1cnn2cccnc12 96993374 XWEDCYCAEBFTAM-CXUHLZMHSA-N 437.437 1.924 0 40 IDAB COCCC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)C4CC4)nn3c(O)c2C1 100243314 TUIIOUMDLLPYQU-GOSISDBHSA-N 427.505 1.820 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1S(=O)(=O)N1CCOCC1 225596680 IPGAZZCCQMMCFN-UHFFFAOYSA-N 444.506 1.964 0 40 IDAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@H](O)[C@@H]4CCCC[C@@H]43)CC2)Oc2ccccc21 247847404 FITYWQWDWQCQAH-OETAKHSWSA-N 441.528 1.670 0 40 IDAB CC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(C)cc4OC(C)(C)[C@H]3C[C@@H]2C1 257221434 DOZQJMDUCQAENV-SUQDKLLUSA-N 443.544 1.841 0 40 IDAB CNCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1 257323599 WLAORKCPUZSZCN-HTDNTCHWSA-N 442.535 1.233 0 40 IDAB Cc1nnc2c(N3CC[C@H](NS(=O)(=O)c4ccccc4Br)C3)nccn12 575414708 WGCMSLJCPIOQLQ-LBPRGKRZSA-N 437.323 1.752 0 40 IDAB CCOC(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1CC(=O)N[C@H]1CCCC[C@@H]1C 585139642 ZAJVTOBDHGIBFN-YVPDGRRMSA-N 446.544 1.916 0 40 IDAB CCOC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 810442 FIHLWSZAHAOGFS-UHFFFAOYSA-N 425.551 1.997 0 40 IDAB COCCNC(=O)[C@@H](c1ccccc1)N(CCOC)C(=O)Cn1nnc2ccccc21 4876028 QHRQXUASTIFPGV-OAQYLSRUSA-N 425.489 1.410 0 40 IDAB CCOC(=O)[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 8433057 FLXDKBNUHWAQLZ-IIYDPXPESA-N 436.383 1.839 0 40 IDAB CC(C)NC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 9134048 RFFBISZELGXEIY-LBPRGKRZSA-N 439.563 1.121 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccccc3)CC2)cc1OC 9645403 HWVSCVAPAUXKBW-UHFFFAOYSA-N 449.529 1.799 0 40 IDAB COc1ccc(OC)c(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc5c(c4)OCO5)c3n2)c1 9739537 ZPGJLJTYTLNNPJ-UHFFFAOYSA-N 435.396 1.621 0 40 IDAB NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 9742523 DNCPNNOQBDKXBQ-KRWDZBQOSA-N 445.903 1.834 0 40 IDAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)c1nccnc1N 10138900 WDKNZMVOZODBID-UHFFFAOYSA-N 447.517 1.808 0 40 IDAB Cc1nccn1CC1(O)CCN(C(=O)c2ccccc2OCCN2CCCC2=O)CC1 12143535 MQNFFTLHYNOILU-UHFFFAOYSA-N 426.517 1.860 0 40 IDAB O=C(CSc1ccncc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12592610 BNWHGKVQMYPGLK-UHFFFAOYSA-N 435.527 1.478 0 40 IDAB NC(=O)c1c(NC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)sc2c1CCC2 13150100 TXGCZRZQUDSXNX-UHFFFAOYSA-N 426.454 1.297 0 40 IDAB COCCN1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 13573069 OTEVWJFZAPLMQH-PBQROFAYSA-N 433.508 1.913 0 40 IDAB Cc1cccc(-c2nnc(S)n2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 17126846 YPSIUZJLFZVYMJ-UHFFFAOYSA-N 431.543 1.549 0 40 IDAB Cn1c(=O)c2c(ncn2CC(=O)N[C@H](c2ccc3c(c2)CCC3)c2cccs2)n(C)c1=O 18235382 HIGIPHMMRVCUHZ-LJQANCHMSA-N 449.536 1.890 0 40 IDAB Cc1cc(NC(=O)Cn2cccc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)c2=O)no1 19750033 IRCWQISSPZERHJ-LJQANCHMSA-N 435.484 1.912 0 40 IDAB Cc1nc([C@@H]2CCCN2C(=O)Cn2cnc3ccccc32)ncc1C(=O)N1CCOCC1 19755758 RNMBJDPPNGUAPU-FQEVSTJZSA-N 434.500 1.971 0 40 IDAB O=S(=O)(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 20033448 BGECDLKNWHVTAR-UHFFFAOYSA-N 430.935 1.839 0 40 IDAB COc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)Nc1ccc(C)cc1 21866011 RRVZHBQQOBWJMY-UHFFFAOYSA-N 433.530 1.866 0 40 IDAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23135160 TVQIZWVEFDVHOT-UHFFFAOYSA-N 425.424 1.880 0 40 IDAB O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612625 YKKUTNSAFFIXKE-UHFFFAOYSA-N 427.542 1.206 0 40 IDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 25014794 ROIJRGYXSCFVRS-VLIAUNLRSA-N 447.513 1.752 0 40 IDAB CCOc1cc2c(cc1NC(=O)C1=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC1)O[C@H](C)C2 26886453 HVHWGNUDSKTAPT-OCCSQVGLSA-N 435.502 1.513 0 40 IDAB CC(=O)N1c2ccc(S(=O)(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)cc2C[C@H]1C 32869171 MTHJBYFAVDVMMB-OLZOCXBDSA-N 449.554 1.771 0 40 IDAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(F)c(F)c2)c1=O 32958166 YAIQNFABMOFMOR-UHFFFAOYSA-N 437.447 1.146 0 40 IDAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 35388261 CUEWFDWIJVANTR-IBGZPJMESA-N 432.546 1.961 0 40 IDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 40023413 SNSNWTQXLWYSRB-CYBMUJFWSA-N 428.514 1.616 0 40 IDAB COc1ccc(CNC(=O)Cn2nc(N3CCN(Cc4ccccc4)CC3)ccc2=O)cc1 44893087 SPXPICMXVFINDE-UHFFFAOYSA-N 447.539 1.891 0 40 IDAB O=C1CN(c2ccc(NC(=O)NCc3cccnc3-n3cncn3)cc2Cl)CCN1 48249908 GKSUCXYPUVNQPT-UHFFFAOYSA-N 426.868 1.574 0 40 IDAB CCOc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1OCC 58154584 PRKWJYXJPXXYGH-UHFFFAOYSA-N 434.518 1.489 0 40 IDAB COc1ccc(S(=O)(=O)N2CCCN(C(=O)Cc3ccccn3)CC2)cc1NC(C)=O 58209179 BNZNDYOHQMRXJJ-UHFFFAOYSA-N 446.529 1.514 0 40 IDAB COc1ccc(CC(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)cc1OC 72392489 XHCWUOUZSDWIJU-UHFFFAOYSA-N 425.532 1.908 0 40 IDAB CC(=O)C[C@H]1COCCN1S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 96008973 PDOFJCVRZTWHOS-NSHDSACASA-N 446.323 1.008 0 40 IDAB CCOc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)cc1 98213081 ZFOZJSDJCWYVPC-UHFFFAOYSA-N 439.447 1.877 0 40 IDAB O=C(CCC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC[C@@H]1CCCN2CCCC[C@H]12 100791217 GHPGYLQPBJKRLB-XSDIEEQYSA-N 440.588 1.955 0 40 IDAB biogenic O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)N1CCc1ccccc1 103292912 IMSQQRWEFVSMKI-FQEVSTJZSA-N 445.516 1.502 0 40 IDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3nc(C)n[nH]3)C2)cc1 226083860 XSMWEDCOSZAOAW-CQSZACIVSA-N 439.563 1.431 0 40 IDAB O=C(C[C@H]1CN(C(=O)CCCn2cncn2)CC[C@@H]1Oc1ccccc1)N1CCOCC1 257274223 NKBLZSYPHLVBEO-FPOVZHCZSA-N 441.532 1.603 0 40 IDAB Cn1ccc(C(=O)N2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccc(F)cc2)C3=O)n1 306139041 SNRZBOCWAGGLHV-RDPSFJRHSA-N 449.486 1.992 0 40 IDAB CN(C)CCN1CCN(C(=O)c2nc([C@@H]3CCCN3C(=O)N(C)C)n3ccccc23)CC1 306141503 VYIWVFIUMHYTQI-IBGZPJMESA-N 441.580 1.472 0 40 IDAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1 408606943 PKSDSOXRMZPFML-UHFFFAOYSA-N 433.530 1.339 0 40 IDAB CCC1(CC)NC(=O)N(CC(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O 512400414 QERQASDXDWJUOM-SFHVURJKSA-N 442.516 1.904 0 40 IDAB CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 575616643 VLDNMCZBBGIIPH-UHFFFAOYSA-N 446.414 1.307 0 40 IDAB COc1cc2ncn([C@@H]3[C@@H](O)[C@H](NC(=O)NC4CCCCC4)[C@H]4CO[C@@H]3O4)c2cc1OC 952845013 YMFWTUYXXVFKDS-SSSFQFABSA-N 446.504 1.711 0 40 IDAB biogenic,in-vitro O=C(NC1CCCC1)N[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@H](O)[C@H]1c1cnc(C2CC2)[nH]1 2332241813 MEUQEQFCPPHHOV-QFHJOOASSA-N 431.537 1.221 0 40 IDAB O=P1(NC[C@@H]2CCCO2)OCC2(CO1)COP(=O)(NC[C@H]1CCCO1)OC2 1569445 DYJYIWILVNSJEQ-MTDKXJKZSA-N 426.343 1.820 0 40 IDAB COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@]1(O)C(=O)OC[C@]1(O)C2 4720835 DPEYSAOEFZKBPG-UEVCKROQSA-N 446.452 1.437 0 40 IDAB NC(=O)c1cc(NC(=O)COC(=O)c2ccccc2NCc2ccco2)cc(C(N)=O)c1 9119547 NWHLERZZHTXQPL-UHFFFAOYSA-N 436.424 1.885 0 40 IDAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)Nc1nccs1 9134080 GUYLLBXCERNPGD-LBPRGKRZSA-N 440.522 1.826 0 40 IDAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@]12C(=O)Nc1ccccc12 9189943 PDBRRUIOLAGAFM-ZLOXQWCVSA-N 437.452 1.310 0 40 IDAB CNC(=O)CNC(=O)COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1 9254757 ZAIJUGFZXXZLEJ-FMIVXFBMSA-N 425.441 1.366 0 40 IDAB Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 9344298 USZJCNVBTGVXLJ-HNNXBMFYSA-N 432.355 1.701 0 40 IDAB Cn1c(=O)c2sccc2n2c(CCCC(=O)N3CCN(c4ncccn4)CC3)nnc12 9431322 NORIAKIWBYXGJZ-UHFFFAOYSA-N 438.517 1.104 0 40 IDAB O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)NC[C@H]1COc2ccccc2O1 9516666 XOVDEMDMTKQIGS-STQMWFEESA-N 439.515 1.095 0 40 IDAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 9634670 RRJMXHPNUOROBR-UHFFFAOYSA-N 436.494 1.100 0 40 IDAB CC(=O)N[C@@H]1[C@H](Oc2cccc(C)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 9974842 LERJREBRRWXADA-JRSUCEMESA-N 437.445 1.030 0 40 IDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)cc1 12232220 RZTCZQMXSSARDV-UHFFFAOYSA-N 425.514 1.937 0 40 IDAB COC(=O)[C@@]1(C(F)(F)F)N=C(c2ccc(OC)c(OC)c2)OC(N2CCOCC2)=N1 12371250 FCXBEFQDXBOUGJ-QGZVFWFLSA-N 431.367 1.600 0 40 IDAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)c(OC)c1 12408508 BUWZEEBBALDTOF-CYBMUJFWSA-N 427.461 1.842 0 40 IDAB CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 12757390 MSEKKYULZYXAKB-SFHVURJKSA-N 443.591 1.541 0 40 IDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)Cn2c(C)csc2=O)c1 13109685 MBHUIEMECNISNF-UHFFFAOYSA-N 441.531 1.431 0 40 IDAB Cc1csc(CC(=O)N2CCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC2)n1 14022992 DBTAUDRRODSSLT-UHFFFAOYSA-N 447.561 1.310 0 40 IDAB CCOc1ccc([C@@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(C)C)cc1OCC 14679442 AFONPVHQQJZPFG-SFHVURJKSA-N 439.534 1.557 0 40 IDAB CCCCN(C(=O)CSc1n[nH]c(=O)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 16803024 FECSHSDUNOQOPC-MRXNPFEDSA-N 438.575 1.528 0 40 IDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)N(C)C 18708121 OOZQZBBTWPEHOC-UHFFFAOYSA-N 439.515 1.631 0 40 IDAB CN(Cc1ccccc1F)C(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 19054003 LBWVDMBQTBPLEF-UHFFFAOYSA-N 433.461 1.456 0 40 IDAB O=C(CN1CCN2CCCC[C@@H]2C1)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19291995 BJXOSFRBEVEIIU-WOJBJXKFSA-N 427.593 1.846 0 40 IDAB C[C@H](CC(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)c(N)n2)CC1)n1cccn1 19766005 GYBUNSYGHHXDHP-MRXNPFEDSA-N 426.521 1.690 0 40 IDAB Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCN1c1ccc(Cl)cc1 20517629 PVTSEIYWZXLHDW-UHFFFAOYSA-N 430.896 1.034 0 40 IDAB O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(CCc2ccccn2)CC1 20622890 TTWHOQZWEKVHGH-FQEVSTJZSA-N 442.585 1.869 0 40 IDAB COc1cc2nc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc(N)c2cc1O 22060611 DSVHRYIETHRCFI-IBGZPJMESA-N 437.456 1.415 0 40 IDAB in-vitro O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)NC[C@@H]1CCCO1 22228434 QCDLPZOOMBTDGT-SFHVURJKSA-N 437.562 1.252 0 40 IDAB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 23221570 IKTZQMPGPHZBOQ-CQSZACIVSA-N 436.511 1.492 0 40 IDAB Nc1cc(CCCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)nn1-c1ccccc1 24788373 FVPMJGAHPNKUKR-UHFFFAOYSA-N 426.502 1.001 0 40 IDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1COc2ccccc2O1 31039917 MCIHFTOBBKJXBU-OAHLLOKOSA-N 448.497 1.286 0 40 IDAB O=C(Cn1cnc2nc(N3CCSCC3)sc2c1=O)Nc1ccc2c(c1)OCCO2 45970641 GFWXBVWNQWFYAE-UHFFFAOYSA-N 445.526 1.816 0 40 IDAB CCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1C[C@@H](OCC)C12CCCCC2 78874771 AZXRPQWAEXRIMV-DLBZAZTESA-N 445.564 1.800 0 40 IDAB COC(=O)C[C@@H](c1c(O)cc(C)n(CC(=O)O)c1=O)c1cc2cccc3c2n(c1=O)CC3 96222390 GTQPMSDGOVKWQT-OAHLLOKOSA-N 438.436 1.513 0 40 IDAB biogenic CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)ccc1OC 222913443 RVFHPWRNBWTZPF-KRWDZBQOSA-N 434.470 1.574 0 40 IDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](Sc4[nH]c(=O)sc4[C@H]3C(=O)OC)C2=O)cc1 245039123 OGHTWSBACFWVHF-NTZNESFSSA-N 448.478 1.534 0 40 IDAB CN(CC(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCCC3)[C@H]1CCS(=O)(=O)C1 247962636 FTBPCPHORBLBDC-KBXCAEBGSA-N 447.561 1.096 0 40 IDAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cc(C)on4)cc3)C(=O)[C@@H]12 408668610 VFNVWHMOJABZKL-NBPAUJCUSA-N 435.436 2.480 0 40 IDAB CN([C@@H](C(=O)O)c1ccc(F)cc1)S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 547925046 OHGUQCVCISYPOQ-QGZVFWFLSA-N 442.490 1.812 0 40 IDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(S(=O)(=O)C(C)C)C2 1549167969 SCFVCQNJFWRHKK-IBGZPJMESA-N 449.573 1.286 0 40 IDAB C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)N1CCC(c2nc(N)n[nH]2)CC1 1641801576 FLKIIBSGHKPXRU-GWNIPJSYSA-N 440.426 1.079 0 40 IDAB CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CC1 1911936313 PMKVKOLFYHLKAP-INIZCTEOSA-N 442.472 1.145 0 40 IDAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)C2)cc1 9059864 QSFBACJBHIVNRU-OAHLLOKOSA-N 441.513 1.983 0 40 IDAB Cc1cccc(OC[C@@H](O)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 9089371 CJZPAUFXEUMAKP-SFHVURJKSA-N 449.511 1.808 0 40 IDAB NC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 9217180 AEGNTOBYCLEDSM-LJQANCHMSA-N 433.574 1.690 0 40 IDAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)N1 12561131 FMNZFFXIIOQFNY-UHFFFAOYSA-N 428.470 1.302 0 40 IDAB Cc1c(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)sc2nc[nH]c(=O)c12 12677498 UKHMHPRJDKTXAD-HNNXBMFYSA-N 440.481 1.417 0 40 IDAB CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)NC(=O)NC1 12862197 ABHXXZRUZSCYGI-UHFFFAOYSA-N 432.429 1.484 0 40 IDAB C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCCc2ccccc21 12972486 ZNTFBNQRJXOMFS-HOCLYGCPSA-N 447.513 1.063 0 40 IDAB O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)NCc1ccc(Cl)cc1 13037968 ITZPJRIQCKONBS-FQEVSTJZSA-N 429.904 1.940 0 40 IDAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H]1c1nnc2ccccn12 14190020 HOFUKICTBZOJRT-SFHVURJKSA-N 441.513 1.728 0 40 IDAB CC(C)S(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19451076 HJGZRHSXOCLJMA-SJORKVTESA-N 438.550 1.099 0 40 IDAB CCN(CC)CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@]2(C)NC(=O)c2ccccc21 19526387 ZIWOYMXXILCMPL-SXTNBDNLSA-N 426.561 1.978 0 40 IDAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1 19592914 SJVOXYKAFXUGNR-GOSISDBHSA-N 428.464 1.808 0 40 IDAB Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@@H](O)COc2ccccc2Cl)n(C)c1=O 23115198 QHJCEPABYDOSRB-CYBMUJFWSA-N 433.896 1.127 0 40 IDAB COc1cccc(N2CCN(CC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)c1 23652899 ASFVAXRNEWMYCC-UHFFFAOYSA-N 430.593 1.969 0 40 IDAB CC[C@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)N1CCCC1 24799827 FUVONXKIEUZFPN-MRXNPFEDSA-N 435.594 1.747 0 40 IDAB CC(=O)NCc1ccc(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 25588612 YLSAXGGNVJDCNN-UHFFFAOYSA-N 437.374 1.652 0 40 IDAB O=S(=O)(c1cc(Br)ccc1Br)N1CCN(CCO)CC1 25748911 QMZBMVAGAPPWTI-UHFFFAOYSA-N 428.146 1.510 0 40 IDAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 32983212 YKLIJXROCFXXET-XOPAWIAISA-N 436.464 1.982 0 40 IDAB CN(C(=O)CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)[C@H]1CCS(=O)(=O)C1 33548606 HWDWJIAVOHSXBA-QTNMRXCUSA-N 426.491 1.898 0 40 IDAB CCOC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cnn(C)c3C)c(=O)n12 36007355 PKAOIWFZDIPOSS-MEXIHSERSA-N 438.509 1.291 0 40 IDAB Cn1c2c(c(=O)n(C)c1=O)[C@@](O)(c1cccc(Br)c1)N=C1SC=CN1C2 36358870 XGVGMDHZAGFBOI-KRWDZBQOSA-N 435.303 1.430 0 40 IDAB O=C(CSc1nnnn1-c1ccccc1)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386220 NUPZCASDEVJTJM-QGZVFWFLSA-N 434.481 1.932 0 40 IDAB Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCOCC1 49512873 VGIQLUXANVHYQN-HXUWFJFHSA-N 439.516 1.280 0 40 IDAB Cc1cnc2c(S(=O)(=O)N3CCN([C@H](C)C(=O)Nc4ncccn4)CC3)cccc2c1 58292656 SQDBLJRKLYZUIW-MRXNPFEDSA-N 440.529 1.667 0 40 IDAB O=C(CN1CCN(C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)CC1)N1CCCCC1 58332392 NHEVFHWIUPVARE-UHFFFAOYSA-N 448.467 1.145 0 40 IDAB CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@H](c3ccccc3OCC)NC(=O)N2)CC1 67287907 BACHNVMGBUOAAW-IBGZPJMESA-N 446.504 1.640 0 40 IDAB CC(=O)N1CCCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)CC1 72327636 NIMZWMYLDOQQTE-OSPHWJPCSA-N 441.528 1.872 0 40 IDAB O=C(c1ccc(CN2CCCCC2)cc1)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1 72346915 WUGSOKQARWZVLH-UHFFFAOYSA-N 437.544 1.791 0 40 IDAB CC(C)CS(=O)(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2)CC1 96374427 PMKZVPIMJMBFEI-UHFFFAOYSA-N 434.555 1.556 0 40 IDAB COc1cccc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1 224548457 AJMYPVLNSVKPDX-UHFFFAOYSA-N 447.557 1.610 0 40 IDAB CC(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)O[C@]2(CCN(C(=O)c3cccnc3)C2)C1 306126011 DJGXRZGRXPXHCE-UGKGYDQZSA-N 426.448 1.691 0 40 IDAB CN(C)CCNC(=O)[C@H]1CC[C@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N21 306132875 LVEIUBZZSWTZHG-AZUAARDMSA-N 443.573 1.301 0 40 IDAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCN2CCOCC2)cc1 408597774 YCDOTPDBSVYFRI-UHFFFAOYSA-N 447.557 1.335 0 40 IDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888920865 IQGZPCNZJPJLQQ-AWEZNQCLSA-N 431.522 1.442 0 40 IDAB Cc1c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(=O)n(-c2ccccc2)n1C 2629320 PSSQVQTXEJXLQU-UHFFFAOYSA-N 425.489 1.924 0 40 IDAB CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(Cl)cccc2Cl)CC1 6194037 YCEGAKZQHGCFTD-UHFFFAOYSA-N 437.331 1.920 0 40 IDAB Cn1c(=O)c2c(nc(N3CCN(c4ccccc4)CC3)n2Cc2ccc(F)cc2)n(C)c1=O 8775112 JREMWAJJJOAPQJ-UHFFFAOYSA-N 448.502 1.948 0 40 IDAB O=C(NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9068311 GSHWHNWUWASULX-GOSISDBHSA-N 445.497 1.463 0 40 IDAB CC(=O)Nc1ccc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@H]1CN(c3ccccc3)CCN21 9433911 DVWJOYXFWMOIMC-LJQANCHMSA-N 433.468 1.249 0 40 IDAB COc1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1S(=O)(=O)N(C)C 10288568 TXPDGLPIJYYIJN-UHFFFAOYSA-N 432.502 1.628 0 40 IDAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12391765 VDEWRZKVGBNOOF-INIZCTEOSA-N 431.489 1.712 0 40 IDAB COC(=O)C1=C(C)NC(=O)[C@]1(Nc1nc2ccc(S(C)(=O)=O)cc2s1)C(F)(F)F 12402644 BSIMPUWNCMDUGH-HNNXBMFYSA-N 449.432 1.990 0 40 IDAB CC(C)CN1CCO[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 12806086 YNRQHCAKLYUSDS-GOSISDBHSA-N 441.569 1.699 0 40 IDAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)NC(=O)N[C@H]1C 12888260 BUYLENRVMRVWML-VIFPVBQESA-N 444.271 1.785 0 40 IDAB CCOc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OCC 12986135 BHAAUIKOXZDWOM-IRXDYDNUSA-N 443.500 1.832 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 13135064 VVZPDHXCGZFYIF-HDICACEKSA-N 433.530 1.997 0 40 IDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(N2CCCC2=O)cc1 14189528 ABPRWFWTXKTFKL-QHCPKHFHSA-N 434.452 1.982 0 40 IDAB C[C@@H](C(=O)NCCN1CCCC1=O)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 19080101 RCLIBBSCKVQHFQ-HJPURHCSSA-N 427.501 1.530 0 40 IDAB CCCOc1ccc(N(CC(=O)N2CCN(C(=O)OCC)CC2)S(C)(=O)=O)cc1 22384270 ACNOOAMBEYJGDR-UHFFFAOYSA-N 427.523 1.542 0 40 IDAB COC(=O)c1ccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 22783734 VOSPIVDKBBNPDD-LJQANCHMSA-N 428.485 1.759 0 40 IDAB CS(=O)(=O)N1CCN(C(=O)Cc2cc(O)nc(SCc3ccccc3F)n2)CC1 23138386 XTPLCXMGMIPITN-UHFFFAOYSA-N 440.522 1.260 0 40 IDAB COc1ccc(CCN2C[C@@H](C(=O)N3CCN(C[C@@H]4CCCO4)CC3)CC2=O)cc1OC 25638701 KICCUAVDOSGOOB-PMACEKPBSA-N 445.560 1.418 0 40 IDAB COC(=O)c1cn(-c2ccc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)cc2)nn1 31779971 CEUILGRTBHEJJQ-UHFFFAOYSA-N 433.424 1.955 0 40 IDAB CCNC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)o1 32876743 LSKMXTFENBSQGN-UHFFFAOYSA-N 441.535 1.705 0 40 IDAB Cc1nonc1CN1CCN([C@@H](C(=O)O)c2cn(CCC(=O)O)c3cc(F)ccc23)CC1 36355004 FNYHDMGAALFNFM-HXUWFJFHSA-N 445.451 1.890 0 40 IDAB CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC2=O)cc1 36357691 NDSHCJSZPSXKKK-ZDUSSCGKSA-N 427.486 1.227 0 40 IDAB O=C1CN(S(=O)(=O)c2cccc(C(=O)NCCCc3nc4ccccc4[nH]3)c2)CCN1 40058956 YOUDONFWLNPIEZ-UHFFFAOYSA-N 441.513 1.046 0 40 IDAB COCCCNC(=O)CN1CCN(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)CC1 72289425 MGGUBHSMZWZAPX-UHFFFAOYSA-N 431.537 1.646 0 40 IDAB COC(=O)c1ccc(F)c(S(=O)(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c1 95449603 QEIMOIFGADDCIQ-GFCCVEGCSA-N 438.441 1.846 0 40 IDAB CCCCNC(=O)N1CCC2(CC1)O[C@H](C(=O)NCc1cnc(C)cn1)Cn1ccnc12 96243852 OVGQPWVTQKMEMD-SFHVURJKSA-N 441.536 1.498 0 40 IDAB O=C(NCc1ccccn1)[C@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 96243870 QSVLVNLQXLLVIL-LJQANCHMSA-N 438.532 1.937 0 40 IDAB COc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)cc1 98213076 XCUXCMXXEOYEGB-UHFFFAOYSA-N 439.447 1.165 0 40 IDAB COC(=O)[C@]1(C)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 169301085 VFOVZBMOVLHSID-FZONSQQESA-N 438.436 1.545 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 222435666 XEZMPHBSRNQGQO-INIZCTEOSA-N 443.525 1.693 0 40 IDAB COc1ccc(-c2noc(CN(C)C(=O)C3CCN(S(C)(=O)=O)CC3)n2)c(OC)c1 222626135 JXWFQWJQYYRWOD-UHFFFAOYSA-N 438.506 1.384 0 40 IDAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1 224441593 CIYDFTIZYZATNR-UHFFFAOYSA-N 445.541 1.868 0 40 IDAB CN(c1ccc(OCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1)S(C)(=O)=O 224586965 VDMAHTNTECFISW-UHFFFAOYSA-N 447.557 1.610 0 40 IDAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@H]4[C@H]5C=C[C@@]6(CN(C)C(=O)[C@H]46)O5)C3)cc2n1 248098766 ZJPCJEXVHIGRJL-VFBIAOHBSA-N 437.500 1.115 0 40 IDAB CC[C@H](C)N1CCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 248272107 ZYTHJAXEJAPGST-HOOSLVGPSA-N 441.576 1.882 0 40 IDAB Cc1nc2cc([C@@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)N1CCN(C)CC1 257227672 FQJHXDCTQROXQJ-LJQANCHMSA-N 438.576 1.779 0 40 IDAB CNCCOc1cccc(C(=O)N2C[C@]3(NC(C)=O)CCNC[C@@H]3[C@H]2c2ccccc2)c1 257231996 GIXZPFFESGSMPN-VDKIKQQVSA-N 436.556 1.966 0 40 IDAB CNc1nc([C@H]2CCNC2)nc2c1CCN(S(=O)(=O)c1cc(C)c(OC)cc1C)C2 257301769 RZWKTLYBTAUPNP-HNNXBMFYSA-N 431.562 1.968 0 40 IDAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)nc1 503317810 KSMRMWZNQYIPGS-CQSZACIVSA-N 437.456 1.537 0 40 IDAB C[C@@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1C(=O)Cc1ccc2c(c1)CCCO2 585096950 CZKZNDCTCRVFSX-QGZVFWFLSA-N 438.528 1.755 0 40 IDAB CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc(C(=O)NCCC(=O)O)cc3)cc21 604303778 PRARPDIAZGHPEF-UHFFFAOYSA-N 431.470 1.601 0 40 IDAB Cc1cc(N2C[C@H]3CN(C(=O)c4ccc(S(=O)(=O)N5CCCC5)cc4)C[C@H]3C2)ncn1 1775975147 ANOGUAXSKWFZCK-KDURUIRLSA-N 441.557 1.778 0 40 IDAB Cc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)Cc5cc(F)cc(F)c5)C[C@H]4C3)nn12 1888916654 DLWROHOSYVUSFX-HUUCEWRRSA-N 434.472 1.609 0 40 IDAB Cn1c(=O)c2c(nc(N3CCOCC3)n2Cc2ccc(Br)cc2)n(C)c1=O 832596 BTBIBVAKWAWQEX-UHFFFAOYSA-N 434.294 1.081 0 40 IDAB biogenic CC(=O)c1cccc(N2CN=c3s/c(=C4\C(=O)Nc5c(C)cc(C)cc54)c(=O)n3C2)c1 2253463 XVVOYGADHDRWRU-ZZEZOPTASA-N 432.505 1.935 0 40 IDAB CCn1cc(C(=O)NCCCCCC(=O)N(C)CCO)c(=O)c2cc3c(cc21)OCO3 9306815 GWTDREDZUWEEQN-UHFFFAOYSA-N 431.489 1.491 0 40 IDAB Cn1c(N)c(C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(=O)n(C)c1=O 9508239 LHXQJGDBTNQTIZ-UHFFFAOYSA-N 448.814 1.356 0 40 IDAB Cc1cccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 10022115 UAMVBGXHDWOFKM-XNTDXEJSSA-N 427.526 1.870 0 40 IDAB CC(=O)Oc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 10041482 JIPXHEUBUSHECJ-UHFFFAOYSA-N 446.843 1.537 0 40 IDAB O=C1NC(=O)[C@@H](CCC(=O)N2CCC(c3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)N1 12157799 NKNMWUQVSVCPMG-CYBMUJFWSA-N 443.529 1.558 0 40 IDAB COC(=O)c1ccc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)c(=S)[nH]c2c1 12415782 QSLHPXRIDWUKJZ-UHFFFAOYSA-N 427.438 1.891 0 40 IDAB C[C@]1(NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)CCS(=O)(=O)C1 12577959 HEXYVWQKOGWEAZ-SFTDATJTSA-N 429.498 1.300 0 40 IDAB O=c1[nH]c(=O)c2cc(S(=O)(=O)Oc3ccc(I)cc3)ccc2[nH]1 12853912 JNURFPBCPYCDPK-UHFFFAOYSA-N 444.206 1.589 0 40 IDAB CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)cc1 12986865 ACIHZXYHEFMTFK-UHFFFAOYSA-N 434.518 1.885 0 40 IDAB COc1cccc(CN(C)C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 12987697 XGBLLFMUKJCIBQ-UHFFFAOYSA-N 448.541 1.926 0 40 IDAB C[C@@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)NCc1ccc2c(c1)OCO2 14246586 KXLCNDFDNXLRDP-MRXNPFEDSA-N 446.500 1.773 0 40 IDAB CCCCn1c(N)c(N(CC(C)C)C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(=O)[nH]c1=O 15940460 HDPOTTSRCKBDER-HNNXBMFYSA-N 445.520 1.550 0 40 IDAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCOC3)[nH]c(=O)c2C1 19239462 WEZPOXPPKBVNTH-KXBFYZLASA-N 437.500 1.372 0 40 IDAB Cc1cc(C)c2cc(CN(CCO)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1 19822813 ZMXRODJDCNXGMM-UHFFFAOYSA-N 432.590 1.536 0 40 IDAB COc1ccc(CN2C(=O)[C@@H]3[C@H]([C@H](C)O)N[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 20610713 JBPHKLSPHJFFQO-BQJJVBGXSA-N 449.507 1.613 0 40 IDAB biogenic Cc1cccc2nc(C(=O)N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)cn12 24111747 OUBPZBCBIARPGD-UHFFFAOYSA-N 441.513 1.781 0 40 IDAB CN(C)S(=O)(=O)c1cccc(C(=O)NC(=O)CSc2ncnc3sccc23)c1 32815411 JQFAIMWHDPLODS-UHFFFAOYSA-N 436.540 1.990 0 40 IDAB COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3C3CCN(C(C)=O)CC3)n2)cn1 35425625 TUURQKDRJMGLOV-KRWDZBQOSA-N 428.493 1.864 0 40 IDAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@H](C)C2)cc1 36033982 MCGWXIKBYQBLFA-OAHLLOKOSA-N 440.543 1.788 0 40 IDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C[C@H](C(=O)N(C)C)[C@]2(COc3ccccc3C(=O)N2)C1 72334323 JIKDLPIBKYJSMB-NRVVDZMSSA-N 442.560 1.357 0 40 IDAB CCN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 96143625 TYNUEOKDUUEJAD-RBUKOAKNSA-N 441.557 1.615 0 40 IDAB CCN(CC)CCNC(=O)c1ccc2nnc([C@@H]3CN(c4ncccn4)CCN3C)n2c1 96156698 UIGCCBWAKWKBAJ-SFHVURJKSA-N 437.552 1.084 0 40 IDAB CCS(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C(C)C)CC4)C1 100234639 HRMSGLXFWJMBQJ-AWEZNQCLSA-N 435.550 1.505 0 40 IDAB Cc1cccc(N2C(=O)[C@H]3[C@@H](C(=O)NC4CC4)[C@H]4C=C[C@]3(O4)[C@@H]2C(=O)NC2CCCC2)c1 100432029 URIUFZZOHPBRSB-IKVZYYAVSA-N 435.524 1.987 0 40 IDAB C[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc2c(c1)OCO2 139092119 CAZRPQLNBNMHIP-WCQYABFASA-N 425.445 1.942 0 40 IDAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222814102 BMVASONXMTXHQG-KRWDZBQOSA-N 447.557 1.787 0 40 IDAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCCN3CCOCC3)o2)cc1 223406923 BIODBFVHLSFIQC-UHFFFAOYSA-N 435.546 1.861 0 40 IDAB O=C(CCn1cnc2ccccc2c1=O)NCCN1Cc2cc(Cl)ccc2OCC1=O 225771918 PYPIDJSGXXLFOF-UHFFFAOYSA-N 440.887 1.977 0 40 IDAB C[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@]21C[C@H]2C(=O)N(C)[C@@H](O1)c1nc3ccccc3c(=O)n12 247722446 BOZGEGDMHAOPIQ-WVEGZJIESA-N 443.463 1.388 0 40 IDAB biogenic,in-vitro COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)cc1OC 408650012 AEMRSKOAYMJCHR-OAHLLOKOSA-N 441.440 1.379 0 40 IDAB COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCC(O)CC2)cc1 585262417 VTPLBSWTFPASCH-LUKWVAJMSA-N 426.513 1.831 0 40 IDAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5cccc(OC)c5)C[C@@H]4C3)nn12 1888932248 REGVMMAAUALORV-GJZGRUSLSA-N 428.518 1.452 0 40 IDAB COC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)cc1 932469 BLBKNCAALXXEMV-UHFFFAOYSA-N 427.442 1.951 0 40 IDAB Cc1cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1CCCn1ccnc1 9059573 NSESKIPBAGYOKB-UHFFFAOYSA-N 431.500 1.987 0 40 IDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccc(OC)cc1 9183793 GYCCIRBUWKNYKX-MSOLQXFVSA-N 438.488 1.014 0 40 IDAB O=C(NCCCc1ccccc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(F)cc1 9600221 QUIUGWHDWDZGHL-IBGZPJMESA-N 449.504 1.038 0 40 IDAB O=C(CSc1nnnn1C1CC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9913975 KZWYJJYIMOEBNZ-MDWZMJQESA-N 434.547 1.245 0 40 IDAB Cn1c(=O)c2c(nc(SCC(=O)O)n2Cc2ccc(Br)cc2)n(C)c1=O 10003400 WFZMQRABTJZSPM-UHFFFAOYSA-N 439.291 1.421 0 40 IDAB COC(=O)C1=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2cccc(OC)c2)n2nnnc2N1 10232218 MLFOKXXOCFGMFV-KRWDZBQOSA-N 436.384 1.915 0 40 IDAB CN1Cc2cccc(C(=O)N3CCC4(CC3)Nc3ccccc3S(=O)(=O)N4)c2C1=O 12142328 KKUGDAFKZVUPLV-UHFFFAOYSA-N 426.498 1.609 0 40 IDAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)NC(=O)N[C@@H]1CC 12791605 UCQNWHALPPNRRQ-UONOGXRCSA-N 445.472 1.500 0 40 IDAB CCCn1c(=O)n(C[C@@H](O)COc2ccc(CC)cc2)c(=O)c2c1nc(C)n2CCOC 12805298 BRADEPFQDWORSS-GOSISDBHSA-N 444.532 1.727 0 40 IDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13116203 YOEZMQVBNNZFIV-UHFFFAOYSA-N 449.510 1.254 0 40 IDAB COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)cc1OC 13580933 JRSIWHBDMBWGGW-UHFFFAOYSA-N 440.493 1.831 0 40 IDAB COc1cc(/C=c2\s/c(=C\C(=O)Nc3ccccc3OC)n(C)c2=O)cc(OC)c1 16389816 BJQAXJWVCODIHK-CJUCSVCXSA-N 426.494 1.721 0 40 IDAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccccc3)[nH]c(=O)c2C1 19520396 LMUAHJFYDPVSSI-LJQANCHMSA-N 444.557 1.774 0 40 IDAB C[C@@H](NC(=O)C1(c2ccccc2F)CC1)C(=O)N1CCC[C@@H](C(=O)CS(C)(=O)=O)C1 19575404 BMRBJCNWYGJFRQ-HUUCEWRRSA-N 438.521 1.214 0 40 IDAB COc1cc(C(=O)NCC[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3)CCO2)nc(OC)n1 19712092 WRBFJWLFPPIXCT-ZBFHGGJFSA-N 435.502 1.635 0 40 IDAB Cc1cc2c(cc1Br)[C@@H](O)[C@](CN1CCOCC1)(N1CCOCC1)CO2 22941727 JMBQVTAGEXASNE-RTBURBONSA-N 427.339 1.587 0 40 IDAB O=C(OCc1nnc(-c2ccc(F)cc2)o1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23055068 HVWVZJPMGGDCGP-CYBMUJFWSA-N 436.421 1.084 0 40 IDAB CN(c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)S(C)(=O)=O 26052168 SJAJWERVKYZOMI-UHFFFAOYSA-N 431.514 1.769 0 40 IDAB COc1ccc(N2C[C@@H](C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 32090893 AENFADSETLIRFP-HNNXBMFYSA-N 439.468 1.964 0 40 IDAB COCCN(CCCN(C)C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 32923976 HQPCFUPOPMBECS-ROUUACIJSA-N 441.594 1.525 0 40 IDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 32983266 PDXXJEONIXCTIY-FQEVSTJZSA-N 444.509 1.523 0 40 IDAB O=C(COc1ccccc1Cc1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 35334225 PUOAWAPFWMFTIV-UHFFFAOYSA-N 437.540 1.659 0 40 IDAB COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(-n3ccnc3C)ncn2)CC1 35598103 NWRPEXBNSGFHQM-UHFFFAOYSA-N 428.518 1.799 0 40 IDAB COc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCN2CCCCCC2=O)C(C)C)cc1 36674340 DFVPPUCQJIGEHD-FQEVSTJZSA-N 439.578 1.907 0 40 IDAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COCCOC)c1 36797726 DBRAHEANFYSDMS-UHFFFAOYSA-N 429.539 1.155 0 40 IDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)CCNC(=O)c2ccoc2)CC1 40088949 FZSICBQCXSUJQC-UHFFFAOYSA-N 426.539 1.053 0 40 IDAB COc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 40090138 WEDPIXMOZGWYAB-INIZCTEOSA-N 438.550 1.018 0 40 IDAB O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1nnc([C@H]2CCCO2)s1 44890650 OATRMLNFIAGIKV-MRXNPFEDSA-N 430.534 1.856 0 40 IDAB Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)N1CCN(c2ccccc2F)CC1 56999877 HAVPDBSQEJIJKN-UHFFFAOYSA-N 428.512 1.067 0 40 IDAB COCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 57773620 KMWATVARLMQEMD-RTWAWAEBSA-N 425.529 1.712 0 40 IDAB C[C@H](C(=O)NCCS(=O)(=O)N1CCc2ccccc21)N1C(=O)[C@H]2CCCC[C@H]2C1=O 58101065 NIEGCYLOWUQAIB-OIISXLGYSA-N 433.530 1.059 0 40 IDAB CCOC(=O)CNC(=O)Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O 67255507 XIHNSOSOLFFTRT-UHFFFAOYSA-N 435.893 1.516 0 40 IDAB NC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1Cc1ccn(-c2cccc(F)c2)n1 70040676 DUVHNYSGYJURAD-UHFFFAOYSA-N 439.432 1.191 0 40 IDAB CCN1CCN(C(=O)[C@@H]2CCC(=O)NC(=O)N2)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351400 MNNRJOYGPXTWSQ-SFTDATJTSA-N 448.523 1.944 0 40 IDAB Cc1cc(N2CCN([C@H]3CN[C@@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1 95561221 WGRQANOPCQRCME-WOJBJXKFSA-N 426.590 1.566 0 40 IDAB O=C(CCn1cnc2sccc2c1=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005232 UFQRZIXEOOIDQS-HNNXBMFYSA-N 438.575 1.701 0 40 IDAB COC(=O)C1(CNC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CCOCC1 96006474 CAYWUYZHSJUOQY-SNVBAGLBSA-N 433.324 1.715 0 40 IDAB CCS(=O)(=O)N1CCC2(CC1)O[C@H](C(=O)NCc1ccc(OC)cc1)Cn1ccnc12 96062620 RQDDNPZWSNQNMR-SFHVURJKSA-N 448.545 1.248 0 40 IDAB CNC(=O)CN1CC2(CCN(Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O 96145245 AQVWERHRSDDZDP-UHFFFAOYSA-N 444.557 1.493 0 40 IDAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)cc1 138940282 MFDSFZKEDLOIML-SFHVURJKSA-N 437.452 1.873 0 40 IDAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1N1C(=O)CCC1=O 225150153 HEJYPWMXNSHEHD-UHFFFAOYSA-N 447.488 1.999 0 40 IDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 225600196 PVKIKEWYJLVAFF-UHFFFAOYSA-N 440.547 1.047 0 40 IDAB Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)N2CC[C@H](N3C(=O)COC3=O)C2)c1C 225700719 RPDQCTWUAMVDGO-INIZCTEOSA-N 437.518 1.168 0 40 IDAB O=C(CN1CCN2CCCC[C@H]2C1)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 257207918 BJXOSFRBEVEIIU-UXHICEINSA-N 427.593 1.846 0 40 IDAB CCc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](N2CCN(C(C)=O)CC2)CC1 257324071 WNABMSMJLIETST-SFTDATJTSA-N 427.549 1.115 0 40 IDAB CN(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc3c(c2)OCO3)CC1 306141562 WAOHBMSGQUCRSX-UHFFFAOYSA-N 440.548 1.527 0 40 IDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O 575612427 MJRHKIFNHBOTAJ-UHFFFAOYSA-N 445.542 1.699 0 40 IDAB O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3OC(F)(F)F)[C@@H](O)[C@H]2O1)NC1CC1 604381636 ILVMZUJRRJNBDY-ZLJHSHKTSA-N 430.423 1.629 0 40 IDAB biogenic,in-vitro CS(=O)(=O)N1CCC(c2nnc3sc(Cc4ccc5c(c4)OCCO5)nn23)CC1 1501040569 YWPXMUJQNVSNBN-UHFFFAOYSA-N 435.531 1.687 0 40 IDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5ccccc5S(C)(=O)=O)C[C@H]4C3)nn12 1888906554 NNMREXKXXRVORG-HUUCEWRRSA-N 426.502 1.045 0 40 IDAB