smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN1CCN(c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)CC1 6174364 ZEEHTCBOFSSBNY-UHFFFAOYSA-N 368.441 0.234 0 40 FCAB COCCNC(=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 6914656 FZJDSFWQCNSRGJ-UHFFFAOYSA-N 363.395 0.821 0 40 FCAB CCOCC(=O)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 9016632 QWBAECLFDLALHN-UHFFFAOYSA-N 373.388 0.933 0 40 FCAB O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)NCc1ccccc1 9530740 BXTFHHJVUSJDKO-UHFFFAOYSA-N 351.428 0.971 0 40 FCAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(N)=O)CC1)C2=O 12791408 OVZTXRYEJSEGKM-GTNSWQLSSA-N 350.419 0.211 0 40 FCAB CCCn1c(N)c(C(=O)CSc2nnc(C(C)C)[nH]2)c(=O)[nH]c1=O 14162248 ZOQWNGKITDVTCG-UHFFFAOYSA-N 352.420 0.745 0 40 FCAB CCOC(=O)c1nc(-c2nn(-c3ccccc3)c(=O)n(CC)c2=O)no1 21147198 FJMWGTQBFBCEAE-UHFFFAOYSA-N 357.326 0.641 0 40 FCAB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1[C@@H]1CCS(=O)(=O)C1 21902249 RMDKXTWCDPWYPW-LLVKDONJSA-N 369.472 0.963 0 40 FCAB CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 24584704 DKOPSEGKZREWGD-HNNXBMFYSA-N 358.402 0.758 0 40 FCAB O[C@H](CN1CCN(Cc2nnc3n2CCCCC3)CC1)Cn1cccn1 40153508 UAYIVURBULOBIH-MRXNPFEDSA-N 359.478 0.380 0 40 FCAB CSCC[C@H]1NC(=S)N([C@H]2CCCN(S(C)(=O)=O)C2)C1=O 58210219 ICAVKINJYWWVDH-VHSXEESVSA-N 351.519 0.249 0 40 FCAB CCN(CC)[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)c1ccco1 58290919 KZLOWTKTTMTCEX-AWEZNQCLSA-N 357.476 0.509 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2coc(NC(=O)c3ccco3)n2)CC1 62023051 GYEOUWSYRBPCHS-UHFFFAOYSA-N 368.371 0.237 0 40 FCAB O=C1NC2(CCOCC2)C(=O)N1C[C@@H](O)COCc1ccccc1F 69167992 LWBYLAURWOIMRI-CYBMUJFWSA-N 352.362 0.804 0 40 FCAB COCCc1noc(CN2CCCc3ccc(S(N)(=O)=O)cc32)n1 81015386 ULURCHJYSMMHLT-UHFFFAOYSA-N 352.416 0.859 0 40 FCAB CC(C)c1nnc(CNS(=O)(=O)c2ccccc2S(C)(=O)=O)n1C 96012541 BOCOYFKUKZTKQK-UHFFFAOYSA-N 372.472 0.821 0 40 FCAB CCNC(=O)c1cn(CC2(O)CCN(C(=O)OC(C)(C)C)CC2)nn1 96530284 XYIQZQMJDDWGPU-UHFFFAOYSA-N 353.423 0.790 0 40 FCAB C[C@H]1C(=O)[C@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(CO)[C@H](O)CCC(C)(C)[C@H]1C[C@H]3O 100359498 LIVDSGBMAPJLQG-VCEDBCMASA-N 368.470 0.090 0 40 FCAB O=C1COC(=O)N1[C@@H]1CCN(S(=O)(=O)c2cccc3cccnc23)C1 225704185 BDCGBWMWASSRBN-GFCCVEGCSA-N 361.379 0.977 0 40 FCAB CS(=O)(=O)CCC(=O)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 247499170 DZFUPPIAIQAMAX-OAHLLOKOSA-N 354.476 0.687 0 40 FCAB COc1ccc2nnc(CNC(=O)c3cnn(-c4ccccc4)n3)n2n1 253404601 REVXTBMDRSNWEA-UHFFFAOYSA-N 350.342 0.644 0 40 FCAB C[C@@H](C(=O)NCCN1CCOCC1)n1cc(COc2ccccc2)nn1 257173561 QTKZNCLXWBNWFL-HNNXBMFYSA-N 359.430 0.867 0 40 FCAB COc1ccc(OCC(=O)N2CC[C@](O)(CN3CCOCC3)C2)cc1 257214954 COBXAKVZKHGJEE-SFHVURJKSA-N 350.415 0.370 0 40 FCAB Cc1cc2nccc(C3CCN(C(=O)CNS(C)(=O)=O)CC3)n2n1 257226745 FLYGCHUMJXRCMM-UHFFFAOYSA-N 351.432 0.293 0 40 FCAB CCS(=O)(=O)N1CC[C@@](O)(CN2CCN(c3ccccc3)CC2)C1 257252173 JTUSUPKEURRXPI-QGZVFWFLSA-N 353.488 0.595 0 40 FCAB O=C(c1cc(O)nc(O)n1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575605853 HQZDUMWNXPNPRG-ZDUSSCGKSA-N 363.395 0.890 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc2c(c1)CCC(=O)N2C 643949735 SXYJONNOFKDPAS-LJQANCHMSA-N 359.426 0.963 0 40 FCAB CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H]1CCc3c(nnn3C)C1)CC2 654523691 ZCIRSRKLEXVIHA-NWDGAFQWSA-N 358.450 0.702 0 40 FCAB CN(C)S(=O)(=O)N1CCc2ccc(=O)n(CC3CCOCC3)c2CC1 2055782070 GYMBWHLCDZPZIX-UHFFFAOYSA-N 369.487 0.482 0 40 FCAB COCC(=O)N1CCOC[C@]2(C1)CN(c1cccc(OC)c1)C(=O)CO2 2055803590 NAUAHOCPAMYMTN-SFHVURJKSA-N 364.398 0.302 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-n3cnnn3)cc2)cc1 2645307 ZEIUHOGGVXRZLQ-UHFFFAOYSA-N 372.410 0.282 0 40 FCAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)O[C@H](C)C(N)=O 3307617 REKRCHJVUDYGFE-ZYHUDNBSSA-N 354.428 0.964 0 40 FCAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 4517776 YDKJMQOVDNGILY-UHFFFAOYSA-N 354.409 0.990 0 40 FCAB O=S1(=O)C[C@H](NC[C@H]2CCCO2)[C@@H](S(=O)(=O)c2cccs2)C1 13371082 LMRDLAWDSZPAAU-WOPDTQHZSA-N 365.498 0.456 0 40 FCAB O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(F)cc1 15080611 WVDSZPNAEBKCFW-UHFFFAOYSA-N 371.434 0.597 0 40 FCAB C[C@@H](OC(=O)CN1C(=O)CCC1=O)C(=O)N1CCN(c2ccccc2)CC1 24080074 CVIIEAOGDDWSIF-CQSZACIVSA-N 373.409 0.416 0 40 FCAB Cc1cc(C)n2ncc(C(=O)N3CCCN(S(C)(=O)=O)CC3)c2n1 24782366 BHJLWARTMJVHSJ-UHFFFAOYSA-N 351.432 0.454 0 40 FCAB CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 31168492 UJRMJTIXXKZFGB-AHDKKFSPSA-N 374.474 0.469 0 40 FCAB biogenic,in-vitro Cc1cc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)n(C)n1 32856024 ULWLBQVCEHOUCY-UHFFFAOYSA-N 355.354 0.771 0 40 FCAB CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2NCCN(C)C)cc1 80350129 AFAKJWHESKDGLT-JKSUJKDBSA-N 374.528 0.340 0 40 FCAB CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1 97015073 KVHIFRMQVYGZNT-CYBMUJFWSA-N 370.456 0.885 0 40 FCAB CS(=O)(=O)N1CC[C@@H](CNC(=O)NCc2cn3ccccc3n2)C1 124885890 QZEKBCBTUBVKRF-LBPRGKRZSA-N 351.432 0.415 0 40 FCAB CN(C)c1cc(N2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)ncn1 248146785 VZHBUZVUFUTDSY-AWEZNQCLSA-N 366.487 0.963 0 40 FCAB CN1CCN([C@H]2CCN(C(=O)CC3(O)CCCCC3)CC[C@@H]2O)CC1 257331598 XTNUTFAQEPSNRR-IRXDYDNUSA-N 353.507 0.671 0 40 FCAB O=C(C1CCC1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 306131038 JVFUXGVXKOROOH-CYBMUJFWSA-N 351.428 0.671 0 40 FCAB CCS(=O)(=O)N(CC(=O)N[C@H](C)COC)c1ccc2c(c1)OCO2 408706196 WZNGCQOICLUPKZ-LLVKDONJSA-N 358.416 0.723 0 40 FCAB COC[C@]1(C(N)=O)CCCN1C(=O)C1CCN(CC(F)(F)F)CC1 643937859 BHWFSUDTFYQEOU-AWEZNQCLSA-N 351.369 0.754 0 40 FCAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1C[C@@H](CO)[C@H](CCO)C1 1124101491 DNGPQBMYRIEOQM-MNOVXSKESA-N 361.364 0.840 0 40 FCAB Cn1c(C(=O)N2C[C@H]3OCCN(Cc4ccncc4)[C@@H]3C2)cccc1=O 2055750734 USRVORVLJVCTNC-IAGOWNOFSA-N 354.410 0.506 0 40 FCAB CN1Cc2ncc(-c3cnn(C)c3)n2C[C@]12CCN(C(=O)[C@@H]1CCOC1)C2 2055773041 OKCHATUBERSYNP-AUUYWEPGSA-N 370.457 0.737 0 40 FCAB O=CN1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 810651 IRTJXHXBIVCVHY-ZDUSSCGKSA-N 366.215 0.855 0 40 FCAB Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)cnn1C 2806671 PXDPGIPTPQBINM-LBPRGKRZSA-N 366.447 0.501 0 40 FCAB C[C@H](OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(N)=O 4950578 QTYPYZSASPNSHN-JTQLQIEISA-N 365.411 0.265 0 40 FCAB C[C@@H](C(=O)N(C)Cc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 6972407 FWLJEYVHGCFMME-LBPRGKRZSA-N 355.398 0.653 0 40 FCAB COc1ccc([C@@H]2C/C(=C3\C(=O)NC(=O)N(C)C3=O)NN2C(C)=O)cc1 9170870 CAXWZWUMRXNBQQ-BSHRGCEOSA-N 358.354 0.455 0 40 FCAB NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 9954884 BOXLYNGYPPWQPP-UHFFFAOYSA-N 374.422 0.923 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 14254705 MPQZIWVUHBSFBX-AWEZNQCLSA-N 371.459 0.987 0 40 FCAB Cc1nonc1CN(C)C(=O)c1ccc(=O)n(CC(=O)NC2CCCC2)c1 19750800 ZNBQHERGEJSXPV-UHFFFAOYSA-N 373.413 0.871 0 40 FCAB Cc1ccsc1CN(C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 20803396 DNFMYQBLWPSWQQ-SNVBAGLBSA-N 350.444 0.739 0 40 FCAB NC(=O)c1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 22409631 WOEQLBBTHMOKQB-UHFFFAOYSA-N 355.397 0.234 0 40 FCAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(CC(=O)NC2CC2)CC1 22800989 GHLMNVCSZUJHME-ZDUSSCGKSA-N 355.442 0.880 0 40 FCAB CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)c2cccc[n+]2[O-])c1 40152120 OOZAYCJNLZYDDA-UHFFFAOYSA-N 356.425 0.544 0 40 FCAB CCn1c(=O)n(CC(N)=O)c2c(C(N)=O)nc(-c3ccc(C)s3)nc21 57740163 DDMUVFXBDAFTJW-UHFFFAOYSA-N 360.399 0.234 0 40 FCAB CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)N(C)C)C[C@@H]32)C(=O)N1CC1CC1 96261651 OSFAWYJRLYOENM-JKIFEVAISA-N 368.503 0.934 0 40 FCAB O=C(NCc1cn[nH]n1)C1CCN(S(=O)(=O)c2cccs2)CC1 97011671 DBFCIGOQTNQOON-UHFFFAOYSA-N 355.445 0.583 0 40 FCAB CC(=O)Nc1nnc(S(=O)(=O)NCCOc2ccc(F)cc2)s1 225192488 CMWYHMQJGYDGGZ-UHFFFAOYSA-N 360.392 0.993 0 40 FCAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NCCSc1ncn[nH]1 225875984 YADVPPCQZZLZPM-UHFFFAOYSA-N 362.462 0.463 0 40 FCAB COc1cc(N2Cc3cncn3[C@H](C(=O)NCC3CCOCC3)C2)ncn1 247902594 RHAXPRJWKOPDPS-HNNXBMFYSA-N 372.429 0.786 0 40 FCAB CCn1nc(C)cc1C(=O)N1Cc2ccnn2[C@@H](CNS(C)(=O)=O)C1 306142792 XKBYTUCWDBDJNC-ZDUSSCGKSA-N 366.447 0.154 0 40 FCAB COCCNS(=O)(=O)c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408602212 IJKICVRSMFQQBJ-AWEZNQCLSA-N 372.443 0.285 0 40 FCAB Cc1nc(N(C)C2CN(c3ccc4nnc(C)n4n3)C2)c2cnn(C)c2n1 585606917 KKOGWFAFCZBWCA-UHFFFAOYSA-N 364.417 0.743 0 40 FCAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cccc2c1OCCO2 647927686 ZJDLSSQCHIMWKV-HNNXBMFYSA-N 357.384 0.712 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)CCOc2ccccc2)CCO1 681944536 ZZFZCYCIDFBAQY-INIZCTEOSA-N 364.398 0.616 0 40 FCAB CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cc(Cl)cn3)[C@H]2O)CC1 952844882 QUWOWKVUSOKKIB-DGXTUMSLSA-N 370.837 0.163 0 40 FCAB biogenic,in-vitro O=C(Cc1ccc(F)cn1)N1CC[C@H]2C[C@H](C(=O)N3CCCO3)O[C@@H]2C1 1565550419 CPBNBMZVUJAAAZ-APHBMKBZSA-N 363.389 0.933 0 40 FCAB CCOCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2cc(OC)n(C)n2)C1 1615057746 IMCNPPHPFVOIJB-HIFRSBDPSA-N 364.446 0.918 0 40 FCAB N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 3830390 QYIYFLOTGYLRGG-IMSIIYSGSA-N 367.814 0.621 0 40 FCAB biogenic,world CC(=O)N[C@H]1[C@H](Oc2ccc(Cl)cc2Cl)O[C@H](CO)[C@@H](O)[C@@H]1O 4044005 UHQRLFPKGHQKEN-DHGKCCLASA-N 366.197 0.316 0 40 FCAB biogenic O=C(NCc1ccccn1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 5315250 FGLUMXBLRJCINW-UHFFFAOYSA-N 374.422 0.876 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 6139089 FWTUCEZBNAHRMI-GFCCVEGCSA-N 360.457 0.001 0 40 FCAB Cc1nnc2nc(NC(=O)C(F)(F)F)nc(NC(=O)C(F)(F)F)n12 6320504 QAVVNCONFYISPS-UHFFFAOYSA-N 357.174 0.829 0 40 FCAB CC(C)N1C(=O)C(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O 6435933 WSWCWNBBJQFPNY-UHFFFAOYSA-N 372.381 0.950 0 40 FCAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1 6948539 OZPZNJMKALKAQB-UHFFFAOYSA-N 368.393 0.870 0 40 FCAB CCNC(=O)[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 7648869 MMEXCNHYKPEYJX-SNVBAGLBSA-N 369.443 0.390 0 40 FCAB O=C(NCC(=O)N1CCC2(CC1)NCCc1nc[nH]c12)c1cccc(F)c1 8856401 CHHMTPRZOYLHOU-UHFFFAOYSA-N 371.416 0.942 0 40 FCAB Cc1c(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(=O)oc2cc(O)ccc12 9134868 WUFRZWALOSSHCL-SNVBAGLBSA-N 351.380 0.653 0 40 FCAB C[C@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@H](C)O1 14187344 SFIRJRGREWNPFV-RYUDHWBXSA-N 353.444 0.332 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1cccc(CN2CCOC2=O)c1 44652014 HMEJIYBOTMJLSM-UHFFFAOYSA-N 372.381 0.895 0 40 FCAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)N[C@@H]1CCS(=O)(=O)C1 44921736 WXTAODMPMHFTJB-LLVKDONJSA-N 365.386 0.353 0 40 FCAB C/C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 64512469 BCJMNZRQJAVDLD-PSUHPXPKSA-N 351.399 0.165 0 40 FCAB biogenic,in-vitro CN1CCN(c2ncc3c(=O)n(-c4ccc(F)cc4)c(O)nc3n2)CC1 67264275 LDMFUFOTESNYRS-UHFFFAOYSA-N 356.361 0.772 0 40 FCAB O=C(Nc1cnn(CCN2CCOCC2)c1)N1CC[C@H](N2CCCC2)C1 80155114 INKOQSPFQPMKFU-KRWDZBQOSA-N 362.478 0.917 0 40 FCAB CC(C)NC(=O)Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O 98213094 FDAGDTNMLBISET-UHFFFAOYSA-N 361.377 0.365 0 40 FCAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4cn(C)nc4C)[C@H]3C2=O)cc1 101343378 JBKOCJPJGSVWRK-ZBFHGGJFSA-N 368.349 0.946 0 40 FCAB Cc1ccc(CN(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 222751956 MCLOBYMDUPNQKT-UHFFFAOYSA-N 367.471 0.481 0 40 FCAB O=C(c1ccnnc1)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 247871871 RBMOHOBKGQSIHY-CQSZACIVSA-N 374.422 0.580 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NC[C@]1(O)CCCN(c2cnccn2)C1 257341057 ZIRHCNNUKMHCRP-GOSISDBHSA-N 358.446 0.517 0 40 FCAB CC(=O)NCC(=O)N1C[C@]2(F)CN(Cc3ccccc3)C(=O)[C@]2(F)C1 306138470 RYJVPQLGUHLPJU-IAGOWNOFSA-N 351.353 0.424 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)NCc1cn(-c2ccncc2)nn1 390831103 PQLAGYYZCZUJKL-UHFFFAOYSA-N 350.338 0.887 0 40 FCAB CCn1ccnc1CN(C(=O)Cn1cnnc1O)[C@@H]1CC12CCNCC2 566248730 OZCYMVBMJYNTRP-CYBMUJFWSA-N 359.434 0.371 0 40 FCAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1n[nH]c2ccccc12 575615847 GWHVFDGYJYALGA-ZDUSSCGKSA-N 362.455 0.944 0 40 FCAB Cc1nnc2ccc(N3CC(N(C)c4cc(=O)n5ccccc5n4)C3)nn12 585606929 KWOQJXRMVPSDLA-UHFFFAOYSA-N 362.397 0.766 0 40 FCAB Cc1cnc(N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)nc1 677504232 RLMUIFOXCZUXMX-UHFFFAOYSA-N 374.426 0.878 0 40 FCAB COc1cc(C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)on1 1146933967 DCAWCNKWVZHKTD-UHFFFAOYSA-N 373.369 0.511 0 40 FCAB COc1cc(OC)nc(N2CCN(c3cc(C)nc(N(C)C)n3)CC2)n1 1888853297 TUBHWNAYZHMUSC-UHFFFAOYSA-N 359.434 0.985 0 40 FCAB CCn1nccc1C(=O)N1CCO[C@]2(COCC(=O)N(C(C)C)C2)C1 2037984433 BEQJRTAUVSMZLH-QGZVFWFLSA-N 350.419 0.381 0 40 FCAB CNC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1N)CCCC3 2181066 HVQOCGDOTLESTF-UHFFFAOYSA-N 367.456 0.598 0 40 FCAB COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NC(C)(C)C)c1 3346163 UFMOLBZZFYIOKR-UHFFFAOYSA-N 352.387 0.892 0 40 FCAB C[C@@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)C 7501875 YCEYAZSZUDXESN-SNVBAGLBSA-N 353.400 0.135 0 40 FCAB NS(=O)(=O)c1cccc(NC(=O)Cn2cnc3sccc3c2=O)c1 8345932 KVCSXXCQMWJHQR-UHFFFAOYSA-N 364.408 0.744 0 40 FCAB O=C(NCC(=O)N1CCC2(CC1)NCCc1nc[nH]c12)c1ccccc1 8996283 VFVJRIOTFUDSBL-UHFFFAOYSA-N 353.426 0.803 0 40 FCAB NC(=O)c1ccc(COC(=O)Cn2nnn(-c3cccs3)c2=O)cc1 11718176 GAANWSSWKSZDNP-UHFFFAOYSA-N 359.367 0.333 0 40 FCAB CC(C)CNS(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 11904834 PSBUQAOGYDTDTK-LLVKDONJSA-N 360.457 0.933 0 40 FCAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCN(c2ncccn2)CC1 12694743 HEQLVHWFJAIBNZ-ZIAGYGMSSA-N 355.398 0.076 0 40 FCAB CC(=O)OC1=C(C(=O)N2CCOCC2)N(C)S(=O)(=O)c2ccccc21 13624674 CNCHCWQJDWATHS-UHFFFAOYSA-N 366.395 0.411 0 40 FCAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N[C@H]1CCS(=O)(=O)C1)C2=O 17636958 PYEQYULCVRXULP-LBPRGKRZSA-N 364.423 0.675 0 40 FCAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCCN1CCCC1=O 19576244 SJYLITGNCVOILW-QMTMVMCOSA-N 355.394 0.812 0 40 FCAB COCCn1c(C(=O)NCCCN2CCCC2=O)nc2ccccc2c1=O 32101639 ZDYYDDMANXNLCG-UHFFFAOYSA-N 372.425 0.785 0 40 FCAB COc1ccc(C)cc1NC(=O)Cn1c(=O)c(N(C)C)c(N)n(C)c1=O 32682448 XSIFQXIYTWYLPD-UHFFFAOYSA-N 361.402 0.151 0 40 FCAB CC(=O)c1ccc(N2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1 36708429 XUFWDTAPEWNRDJ-UHFFFAOYSA-N 370.409 0.466 0 40 FCAB O=C1CCC(=O)N1CC(=O)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386169 UELZWSQTFVGJJU-CYBMUJFWSA-N 355.350 0.313 0 40 FCAB C[C@H](C(=O)NCCSc1nncn1C)n1nnc2ccccc2c1=O 44225909 SHDWQVQRBNREJB-SNVBAGLBSA-N 359.415 0.390 0 40 FCAB CCCn1nnnc1CN1C(=O)C(=O)N(c2ccccc2OCC)C1=O 55337918 GLOJOWOHIWBYFK-UHFFFAOYSA-N 358.358 0.977 0 40 FCAB Cn1cccc1C(=O)NC[C@@H]1CCC[C@]2(CCN(S(C)(=O)=O)C2)O1 96207745 LCMOOGBZYWOLKF-XJKSGUPXSA-N 355.460 0.728 0 40 FCAB CC(C)c1noc(CCC(=O)N2CC[C@@H]3OCC(=O)N(C)[C@H]3CC2)n1 257269812 MRMMRGKCWSDEKY-STQMWFEESA-N 350.419 0.974 0 40 FCAB O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@H](N2CCNC2=O)C1 518914828 LRYPMACEHZWRPW-HNNXBMFYSA-N 356.426 0.982 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)Cc3ccc4c(c3)CCCO4)C2)CN1C 575406309 WPFHMMODPNLLQT-MRXNPFEDSA-N 373.453 0.212 0 40 FCAB CN(C)S(=O)(=O)N1CCC(CNC(=O)c2cc(C3CC3)on2)CC1 575616617 TWGYQFGCGCYTIJ-UHFFFAOYSA-N 356.448 0.800 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)c3c(C)noc3C)C[C@@H]21 585110191 VNQTUYKVMJNWIA-VXGBXAGGSA-N 359.386 0.289 0 40 FCAB O=C(CCCC(=O)N1CCNC(=O)C1)NCCc1c[nH]c2ccccc12 604418957 XBCGZHUOYJKTQL-UHFFFAOYSA-N 356.426 0.955 0 40 FCAB CN1CC(=O)N(CCCC(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)C1=O 680339503 WKPWQXZXVPIBKW-OLZOCXBDSA-N 351.403 0.257 0 40 FCAB O=C(NCc1ccon1)[C@@H]1C[C@@]2(CO1)CN(Cc1nccs1)CCO2 1565541656 LDJAJEIQBDJFHM-BBRMVZONSA-N 364.427 0.807 0 40 FCAB Cc1nc(CCNC(=O)[C@H]2CN(c3ncccn3)CC23CCOCC3)no1 1565541910 PTBQAEJBXWWJDR-CQSZACIVSA-N 372.429 0.760 0 40 FCAB CCCNC(=O)c1n[nH]c2c1C[C@H](CNC(=O)c1cc(OC)no1)OC2 1565545048 CKSVBULEBVJBPP-SECBINFHSA-N 363.374 0.417 0 40 FCAB COc1cnc(C(=O)N2CCn3c(nc(CN4CCCC4)cc3=O)C2)nc1 1565554678 DINMTRSDQCLRMP-UHFFFAOYSA-N 370.413 0.294 0 40 FCAB COc1cnc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3C2)nc1 1565555894 IVZRCJSXUHELQI-UHFFFAOYSA-N 351.370 0.874 0 40 FCAB Cn1cnc(S(=O)(=O)N2CCO[C@@H]3[C@H](Cn4cccn4)CC[C@H]32)c1 2055719446 GIVOZNOGDDAADB-GZBFAFLISA-N 351.432 0.485 0 40 FCAB C[C@@H]1CN(C(=O)CN2CCN(c3ccc(N(C)C)nn3)CC2)C[C@@H](C)O1 2086884597 SCOLPNAPDDFFOD-HUUCEWRRSA-N 362.478 0.300 0 40 FCAB C[C@@H]1N(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1ccc(F)cc1 4985917 XECMBPJHBSRQOO-GFCCVEGCSA-N 357.407 0.930 0 40 FCAB C[C@@H]1CCc2sc3c(c2C1)c(=O)n(CC(=O)O)c(=O)n3CCN(C)C 6759678 HRKXRZAAMWQZPD-SNVBAGLBSA-N 365.455 0.996 0 40 FCAB Cc1cc(NC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)no1 8316701 PYRAKAJSIQXZPR-UHFFFAOYSA-N 350.331 0.329 0 40 FCAB Cc1nc2ccccc2c(=O)n1CC(=O)N1CCN(c2ncccn2)CC1 8510121 KMMPZNAWTWLKFD-UHFFFAOYSA-N 364.409 0.844 0 40 FCAB CCN(CC)C(=O)CN(C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 9501530 UECYXZZLTBBKQZ-UHFFFAOYSA-N 370.475 0.381 0 40 FCAB Nc1nc(N)nc(COC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 10738096 IDNWWLXVRAAXGN-UHFFFAOYSA-N 351.750 0.747 0 40 FCAB NC(=O)[C@@H]1CN(C(=O)CSc2nnc(N)s2)c2ccccc2O1 10790017 SKQTWNOWTFWPNR-VIFPVBQESA-N 351.413 0.492 0 40 FCAB Cc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2NC(=O)C(C)C)cc1 13681833 SVCBPUTULQOJQK-UONOGXRCSA-N 359.469 0.707 0 40 FCAB Cc1nc2ncnn2c(O)c1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 16249425 ULZKAMBJNBJHJK-UHFFFAOYSA-N 361.343 0.109 0 40 FCAB C[C@H](C(=O)N1CCc2sccc2C1)n1cnc2c1c(=O)n(C)c(=O)n2C 23294442 MMCUVZUDOLGKCU-SNVBAGLBSA-N 373.438 0.641 0 40 FCAB O=C(CCSc1nnnn1C1CC1)N1CCN(c2ncccn2)CC1 32777238 PBAAHLVUDCQWLU-UHFFFAOYSA-N 360.447 0.629 0 40 FCAB C[C@@H]1Oc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)cc2NC1=O 32918132 KGEXXCRLFSLOSR-VHSXEESVSA-N 354.384 0.891 0 40 FCAB O=C(Cc1noc(C(=O)NCCCO)n1)Nc1cccc2ncccc12 40283400 RSIFHZCFQAIVFB-UHFFFAOYSA-N 355.354 0.911 0 40 FCAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 48909135 GLUWZJANKHSDSQ-LBPRGKRZSA-N 358.398 0.381 0 40 FCAB CCNC(=O)c1nsc(C(=O)N2CCN(c3ccccn3)CC2)c1N 49006221 XCUHWTXUXDBALO-UHFFFAOYSA-N 360.443 0.832 0 40 FCAB CCN(CC)[C@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccco1 58281602 HPHYKHXTNWOIBN-CQSZACIVSA-N 372.429 0.922 0 40 FCAB CCOC(=O)c1cnc(/C=C/c2cn(C)c(=O)n(C)c2=O)c(C(=O)O)c1 95455297 JYVNFVZLAFRTOC-AATRIKPKSA-N 359.338 0.524 0 40 FCAB Cc1occc1C(=O)N1CC[C@@]2(C1)CN(c1cnn(C)c1)C(=O)CN2C 96230541 DOPAWKPZGLBWLE-GOSISDBHSA-N 357.414 0.885 0 40 FCAB NC(=O)COc1ccc(S(=O)(=O)N[C@@H]2CCn3nccc3C2)cc1 253473891 ZMFKLNNQOUUXSX-LLVKDONJSA-N 350.400 0.041 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2cnc(-c3nccn3C)cn2)CC1 257235285 GXDYMIZBHGQZHZ-UHFFFAOYSA-N 350.448 0.863 0 40 FCAB CN1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C[C@H]1C(N)=O 257241515 HYHLWMVJQJXFOK-LBPRGKRZSA-N 373.379 0.409 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 585095373 SJBDHUZCXHDKBA-HNNXBMFYSA-N 370.475 0.522 0 40 FCAB COC[C@H]1CCC2(CCN(C(=O)c3cc[nH]n3)CC2)N1S(C)(=O)=O 1565547809 NYPRJKWHGGWBHC-GFCCVEGCSA-N 356.448 0.455 0 40 FCAB Cn1cccc(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)c1=O 2055750769 WTNAQUKDIWLDFG-IRXDYDNUSA-N 354.410 0.506 0 40 FCAB CC(C)NC(=O)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 3336237 ABAWAVXWCYQWAA-GOSISDBHSA-N 358.398 0.700 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(NCCN)n2CCCOc1ccccc1 4911582 MKULTDLUMOJTDL-UHFFFAOYSA-N 358.402 0.263 0 40 FCAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCO)C2)c1 5008463 FBZOAWKRFQAYQR-GFCCVEGCSA-N 372.443 0.213 0 40 FCAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2cnn(C)c2)cc1 8546970 QTIXOFIXYQOQRS-UHFFFAOYSA-N 353.400 0.906 0 40 FCAB CCN(CC(=O)NC(C)C)S(=O)(=O)CCn1c(=O)oc2ccccc21 8922302 RCYXRDKKEZVBHH-UHFFFAOYSA-N 369.443 0.771 0 40 FCAB COc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC(=O)N(C)C1=O 12390173 XXCJBUKJQVJNKS-UHFFFAOYSA-N 369.399 0.115 0 40 FCAB CCN1C[C@@H](C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)CC1=O 19526961 AZCAIEHFACQDIY-KGLIPLIRSA-N 357.458 0.697 0 40 FCAB O=S(=O)(c1ccc(I)cc1)N1CCNCC1 20286754 WWRPVOCMZXEUBU-UHFFFAOYSA-N 352.197 0.885 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCOCC2)cc1 21822352 LKTQESWSEDLITE-UHFFFAOYSA-N 355.460 0.988 0 40 FCAB O=C(NCCN1CCOCC1)[C@@H]1CCCN1C(=O)Cc1cccs1 55114509 FSIGRQZZOAGUSC-HNNXBMFYSA-N 351.472 0.730 0 40 FCAB O=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)c1cnccn1 72403541 BXGZJJPHYRJBAI-UHFFFAOYSA-N 353.426 0.941 0 40 FCAB O=C(c1ccc(-n2cncn2)nn1)N1CCN(C(=O)c2ccco2)CC1 96097813 NCALDZJKQDQPIS-UHFFFAOYSA-N 353.342 0.249 0 40 FCAB COc1ccc([C@H](CC(=O)NC[C@H]2CCCO2)NS(C)(=O)=O)cc1 225955040 MYJWONICJFEMOE-CABCVRRESA-N 356.444 0.971 0 40 FCAB CN(C)C(=O)COCC[C@@H]1CCOC2(C1)CN(c1ccc3nncn3n1)C2 248043390 VWTBMAIPYAHISZ-CQSZACIVSA-N 374.445 0.605 0 40 FCAB Cc1ccnn1CCC(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257326049 WVOIYSWTBGVCQF-GFCCVEGCSA-N 351.432 0.724 0 40 FCAB Cc1[nH]nc2ncc(C(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)cc12 298998828 MDEQFPIZGQUPLM-GFCCVEGCSA-N 351.432 0.810 0 40 FCAB CN(C)c1ncc2c(n1)[C@H]1CN(S(C)(=O)=O)C[C@@H]1N(CC1CC1)C2 306130335 JCWKHFPUMNTTAJ-KBPBESRZSA-N 351.476 0.496 0 40 FCAB CC1CCN(C[C@@H]2OC[C@H](NS(=O)(=O)c3ccccc3)[C@H]2O)CC1 514288958 LQKMRVSPJPTFRK-YESZJQIVSA-N 354.472 0.825 0 40 FCAB biogenic,in-vitro COc1cc(OC)cc(S(=O)(=O)N[C@@H](C(=O)O)c2ccnn2C)c1 517231136 SNICKHVMPSJBNS-CYBMUJFWSA-N 355.372 0.542 0 40 FCAB Cn1ccc(C(=O)N2CCOC[C@](O)(COc3ccccc3)C2)cc1=O 585278955 XFDPXXOHVPOJSZ-IBGZPJMESA-N 358.394 0.668 0 40 FCAB CN1CCCN(C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)CC1 585284390 KRLUCUXAJVOWCL-AZUAARDMSA-N 361.486 0.191 0 40 FCAB CCOC(=O)Cn1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)n1 594170073 PRJQGQRBLJDDPW-UHFFFAOYSA-N 355.358 0.738 0 40 FCAB CCN1CCN(C(=O)NC[C@H](c2ccsc2)n2cccn2)C(=O)C1=O 618255599 GCHWYFUBAZXZGT-CYBMUJFWSA-N 361.427 0.934 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(OC)cc2C)C1 643695423 ODTKVQLJXWWVBT-MRXNPFEDSA-N 356.444 0.655 0 40 FCAB O=C(NCCc1ccc2c(c1)OCO2)c1coc(CN2CC[C@H](O)C2)n1 685942265 HHIFSQSKJWONRQ-ZDUSSCGKSA-N 359.382 0.942 0 40 FCAB CS(=O)(=O)N1CCOCC2(CCN(C(=O)C3CC(F)(F)C3)CC2)C1 1565554234 VEMGNZZEOWBZJB-UHFFFAOYSA-N 366.430 0.932 0 40 FCAB CS(=O)(=O)N(Cc1ccccc1F)Cc1nnc2n1CCOCC2 1615548443 DTDNFWXXGSIENS-UHFFFAOYSA-N 354.407 0.952 0 40 FCAB O=C(NCc1ccco1)C(=O)NCC1(N2CCSCC2)CCOCC1 1888906877 YFMDKXQDUFGYCH-UHFFFAOYSA-N 367.471 0.610 0 40 FCAB NC(=O)C1CCN(C(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 2952355 BAFSCPYMAMKEOD-UHFFFAOYSA-N 372.425 0.584 0 40 FCAB COc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)c(OC)c1 4337929 VDSQWQMGRFWSQM-UHFFFAOYSA-N 351.388 0.409 0 40 FCAB COc1ccccc1C(=O)NC(=O)COC(=O)CNC(=O)c1ccccc1 5716166 RUDSYUUATCWDQG-UHFFFAOYSA-N 370.361 0.925 0 40 FCAB COC[C@H](C)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1N 6172718 LGOSSRONPVHZSC-JTQLQIEISA-N 351.432 0.911 0 40 FCAB O=C(COC(=O)CNS(=O)(=O)c1ccc(F)c(F)c1F)NC1CC1 10900995 PPOGPCJXRAUFBJ-UHFFFAOYSA-N 366.317 0.204 0 40 FCAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@H]1CC 14094673 FMHIUWXEUFNJBD-LBPRGKRZSA-N 368.434 0.669 0 40 FCAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NC(=O)NC1CC1 22801302 PNMMWMQZSHWFLS-UHFFFAOYSA-N 360.414 0.521 0 40 FCAB CCOC(=O)N1CCN(Cc2cc(=O)n3nc(CC)sc3n2)CC1 23698758 VCLXHLDZVYVVSC-UHFFFAOYSA-N 351.432 0.988 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CNC(=O)Cc1ccccc1 24675101 HFXCDWDTEIUUDA-HNNXBMFYSA-N 367.471 0.276 0 40 FCAB O=C(O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 35126691 MOVUEBSTHKZOHL-UHFFFAOYSA-N 369.262 0.902 0 40 FCAB CCS(=O)(=O)N1CCN(c2cc(-n3nc(C)cc3C)ncn2)CC1 38670407 MCKAGZXJKZZZPL-UHFFFAOYSA-N 350.448 0.751 0 40 FCAB CN(Cc1nc(C(=O)O)cc(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1 49470209 ULOXELDBKRKOHY-UHFFFAOYSA-N 357.775 0.942 0 40 FCAB CCCn1c(N)c(C(=O)CN(C)Cc2cccc(OC)c2)c(=O)[nH]c1=O 58128404 FZPNIEZAUXCUKM-UHFFFAOYSA-N 360.414 0.852 0 40 FCAB O=C(NCc1nc(-c2ccccc2)no1)C1CN(C(=O)c2cnccn2)C1 70841071 XHAXFMOKVOXXTN-UHFFFAOYSA-N 364.365 0.915 0 40 FCAB C[C@H](NC(=O)CCC(=O)N1CCN([C@@H](C)C(N)=O)CC1)c1ccccc1 89905522 WODDMQPGKVBMMI-GJZGRUSLSA-N 360.458 0.662 0 40 FCAB NC(=O)NC1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 95453279 TWPPRWVHHVIJCM-UHFFFAOYSA-N 350.806 0.825 0 40 FCAB COc1ncccc1CN1CC[C@@]2(C[C@H](NS(C)(=O)=O)CCO2)C1 96219247 WWZWTTUUDQGGSR-GDBMZVCRSA-N 355.460 0.763 0 40 FCAB CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)C[C@@H]2N1C 107196945 VSHNICWGVAZUGB-DFBGVHRSSA-N 353.444 0.134 0 40 FCAB Cc1oncc1C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1 225597873 JWNATDLBQBJCFV-UHFFFAOYSA-N 353.404 0.253 0 40 FCAB COCCN1C(=O)CO[C@H]2CN(C(=O)c3cn4cc(C)ccc4n3)C[C@@H]21 257267725 MINWIJDZUSTWBS-GJZGRUSLSA-N 358.398 0.341 0 40 FCAB CC(=O)N1CCC[C@H]1c1cncc(CNS(=O)(=O)c2cn[nH]c2)n1 257281594 OQAVGTWBJACVNM-AWEZNQCLSA-N 350.404 0.362 0 40 FCAB Cc1cnc(C(=O)N2CCN(CCc3ccccc3)[C@@H](C(N)=O)C2)cn1 257283324 OXUISXWUJYMGLU-QGZVFWFLSA-N 353.426 0.639 0 40 FCAB COc1cc(CN2CC[C@@H](O)[C@@H](O)[C@H](N3CCOCC3)C2)ccc1F 257294730 QVKUUUUIGULDRB-NUJGCVRESA-N 354.422 0.463 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cnc(-c3ccnn3C)cn2)C1 257296559 RDILDFYNINDWGN-LBPRGKRZSA-N 350.448 0.548 0 40 FCAB Cn1cc([C@H]2CS(=O)(=O)CCN2Cc2ncnn2C(C)(C)C)cn1 560474537 QJPJQSARCPBHEO-CYBMUJFWSA-N 352.464 0.738 0 40 FCAB O=C1CC[C@@H](C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)N1 585111307 NUQULSAAFPVXPI-HOTGVXAUSA-N 354.410 0.940 0 40 FCAB Cc1cc(CN2CCN(C(=O)CN3CCCC[C@@H](O)C3=O)CC2)no1 644277757 YXEOGIVLXRQXPN-OAHLLOKOSA-N 350.419 0.001 0 40 FCAB CN1CCC(N[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(-c3ccccc3)nn2)CC1 1548925275 IVDHGDLRNOKJOD-IPMKNSEASA-N 357.458 0.757 0 40 FCAB CN([C@H]1CCCN(c2nc3ccccc3c(=O)n2C)C1)S(C)(=O)=O 1888866919 YJJCQHVGRFIFOK-LBPRGKRZSA-N 350.444 0.794 0 40 FCAB COc1cnc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2c(C)noc2C)nc1 2055750691 QFXSUHMYLMHQEO-JKSUJKDBSA-N 373.413 0.815 0 40 FCAB O=C(NN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O)c1ccc(Br)o1 2108450 TWZRJTJYNJRZFB-YUMGAWCOSA-N 355.144 0.849 0 40 FCAB COC(=O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)ccc1Cl 100188097 MYMVUHVMVHOLJG-NEULZYRMSA-N 363.753 0.932 0 40 FCAB COc1ccccc1CCNC(=O)Cn1nnn(-c2cccs2)c1=O 29974993 DISZUKRQVMBTGW-UHFFFAOYSA-N 359.411 0.858 0 40 FCAB Nn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccs1 3341063 QSYVKGXOCGKKCB-MRVPVSSYSA-N 373.485 0.116 0 40 FCAB COc1ccccc1CNC(=O)c1nc(CC(=O)N2CCOCC2)no1 44918945 KABBRZDRHKWVPG-UHFFFAOYSA-N 360.370 0.410 0 40 FCAB O=C(Cc1cccc(F)c1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 48280326 DTFVVEUFPSBUPJ-UHFFFAOYSA-N 361.373 0.188 0 40 FCAB C[C@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)N(C)Cc1ccccc1 12813865 IGEDJKMJFFYAKN-ZDUSSCGKSA-N 361.398 0.909 0 40 FCAB O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2cccs2)CC1 16046084 MJDFLEDICJZRFP-UHFFFAOYSA-N 353.425 0.583 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408597268 UOZIYGDGGCSNEV-ZDUSSCGKSA-N 356.444 0.999 0 40 FCAB COc1cccc(NC(=O)C[C@@H](CN2CCN(CCO)CC2)C(=O)O)c1 71282903 VRWCUZJCBNFBRO-AWEZNQCLSA-N 365.430 0.335 0 40 FCAB CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)O1 95460238 SQFYWQNYIXKCNM-NFAWXSAZSA-N 363.414 0.380 0 40 FCAB CN(C)[C@@H](CNC(=O)NCCN1CCNC(=O)C1)c1ccc(Cl)cc1 543762978 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1549160488 DWRICRORZAAWGF-HNNXBMFYSA-N 373.457 0.828 0 40 FCAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1 16681731 DXKWJXFHZWZXDB-UHFFFAOYSA-N 369.443 0.331 0 40 FCAB Cc1cc(N2CCOCC2)nc(N2CCN(c3nccn(C)c3=O)CC2)n1 1889082744 NRTHZHMDAPDXGI-UHFFFAOYSA-N 371.445 0.042 0 40 FCAB Cc1nccn1CC1CN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)C1 1849807097 JJGDNMZCDAWOTP-UHFFFAOYSA-N 362.411 0.957 0 40 FCAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(S(=O)(=O)N(C)C)C2 2055814180 GGPZJZHKSDDWSO-CQSZACIVSA-N 358.489 0.277 0 40 FCAB C[C@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3CCN1CCOCC1 19818751 OBPNNCLEWAIVTQ-LLVKDONJSA-N 358.398 0.182 0 40 FCAB C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCCCC1 40150064 IDFYAEORRRIHCV-LLVKDONJSA-N 354.432 0.857 0 40 FCAB Cn1c(NC(=S)NC(=O)c2ccc(Cl)cc2)cc(=O)n(C)c1=O 2339189 SHIKTGCCLFFOCV-UHFFFAOYSA-N 352.803 0.864 0 40 FCAB COc1cccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCO)c1 969941 UJRBYBRHQZJHCG-UHFFFAOYSA-N 369.381 0.354 0 40 FCAB CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 16682925 CUSVRGVTMMETGI-UHFFFAOYSA-N 369.443 0.608 0 40 FCAB CN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 12983667 AZAZRJWHUQDXAH-ZDUSSCGKSA-N 353.444 0.552 0 40 FCAB COCCN1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1=O 92029231 GUVSIFZMPQNTND-UHFFFAOYSA-N 351.369 0.578 0 40 FCAB COc1ccc2c(C)c(CCC(=O)N3CCOC[C@@H]3C(N)=O)c(=O)oc2c1 95455916 PRLCXRRPEXGDKX-OAHLLOKOSA-N 374.393 0.755 0 40 FCAB CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@@H]1CCCN(Cc2ccccc2)C1 74447115 NXFLROXUTSUFOC-MRXNPFEDSA-N 356.426 0.660 0 40 FCAB O=C(c1cccnc1)N1CCC[C@@](C(=O)N2CCOCC2)(n2cccn2)C1 306141254 VPYPQRKHDCDYBK-LJQANCHMSA-N 369.425 0.768 0 40 FCAB CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1 546698233 ZGICFYWZBLYWRA-HOCLYGCPSA-N 370.471 0.436 0 40 FCAB COc1cnc(C2(O)CCN(C(=O)CCn3ccnc3)CC2)c(OC)n1 72342910 HJTHROHYTGZWQR-UHFFFAOYSA-N 361.402 0.591 0 40 FCAB CCOC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)CC1 45669879 YALZLRFFCSNGGD-CYBMUJFWSA-N 369.443 0.654 0 40 FCAB COC(=O)c1ccc(C(=O)N2CC(S(=O)(=O)c3nccn3C)C2)cc1 225677690 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352.464 0.621 0 40 FCAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C3CC3)[nH]c(=O)c2C1 19592882 SEZJSAVRLBYQGG-OAHLLOKOSA-N 374.441 0.765 0 40 FCAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N1CCN(C(C)=O)CC1 21865815 APURXGKLNNZREM-SFQUDFHCSA-N 373.409 0.398 0 40 FCAB CCN(CCS(=O)(=O)CCC(N)=O)C[C@H]1COc2ccccc2O1 31173759 PGNXHXSDAWKSSS-ZDUSSCGKSA-N 356.444 0.439 0 40 FCAB COC(=O)CN(C(=O)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 32641243 MDRRTQLPBPKNQP-CYBMUJFWSA-N 355.412 0.426 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1C 38556518 KYQBORARXQVFAT-OLZOCXBDSA-N 356.444 0.966 0 40 FCAB CCN(CC(=O)N[C@H](C)COC)S(=O)(=O)c1cc(F)ccc1OC 39986390 GXCIARQUBKNBPE-LLVKDONJSA-N 362.423 0.996 0 40 FCAB COc1ccc(CNC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 57378875 FYLFHLYJPXFGCM-HNNXBMFYSA-N 367.471 0.710 0 40 FCAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCNC2=O)c1 58226651 ZWCDJACERVHGOD-CQSZACIVSA-N 353.444 0.726 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)N[C@H]3CCOc4ccc(F)cc43)cnc21 68167929 HIABLDMYIKYFFZ-ZDUSSCGKSA-N 357.345 0.909 0 40 FCAB Cn1ccc(C(=O)N2CCCC[C@H]2c2cc(C(=O)N3CCOCC3)[nH]n2)n1 72380567 AYSROCAHZQXNLJ-INIZCTEOSA-N 372.429 0.983 0 40 FCAB COc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCCC2)CC1 78705905 MKKMEXYRULNVQT-UHFFFAOYSA-N 367.471 0.624 0 40 FCAB COCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](CO)SC)cc1 84139682 FCMHGIRPUBIBHF-FZMZJTMJSA-N 361.485 0.949 0 40 FCAB Cc1noc(CN2CCN(c3cc(N4CCC[C@H]4CO)ncn3)CC2)n1 89721156 MXXGWTOUVSISCW-AWEZNQCLSA-N 359.434 0.451 0 40 FCAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(S(=O)(=O)C1CC1)C2 96050338 AKVAFRNFHLFILG-MRXNPFEDSA-N 350.444 0.297 0 40 FCAB O=C1[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)CCCN1CCO 97096145 KUEIQXZFTBLXTN-CYBMUJFWSA-N 370.427 0.110 0 40 FCAB CCCCN1C(=O)[C@H]2[C@@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 103088020 NWFXSQZYYDXSSS-CTYUOQFJSA-N 370.409 0.083 0 40 FCAB O=C(NCc1ccco1)C(=O)NCC1CCN(c2ncc(F)cn2)CC1 252497568 QKIBDLANQPHOFP-UHFFFAOYSA-N 361.377 0.858 0 40 FCAB O=C(NC[C@]1(O)CCN(CCCc2ccccc2)C[C@H]1O)c1cnco1 257250934 JOQIXJJLFAOABU-IEBWSBKVSA-N 359.426 0.835 0 40 FCAB O=C(NC[C@@]1(O)CCCN(c2ncccn2)C1)c1cnc(C2CC2)nc1 257337686 YTYOTKWMYVAQSN-SFHVURJKSA-N 354.414 0.905 0 40 FCAB C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)C[C@@H]1CCOC1 328933561 PQVGWFJORVCASR-CHWSQXEVSA-N 351.428 0.741 0 40 FCAB Cn1nccc1S(=O)(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 548334827 CRWILMLJBNZFDR-MNOVXSKESA-N 353.404 0.879 0 40 FCAB Cc1cncnc1N1CCN(C(=O)[C@@H](C)n2nc3c(cc2=O)CCC3)CC1 585150635 ZVESZVRHLWVJPV-CQSZACIVSA-N 368.441 0.740 0 40 FCAB COCCOc1ccccc1CNC(=O)CN1CCCC[C@@H](O)C1=O 644324369 RALYDPNAXQNEAM-OAHLLOKOSA-N 350.415 0.701 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C(C)(C)c3cc(C)ccn3)C2)C1 685941572 DGFXKCNESZHYPO-CYBMUJFWSA-N 358.442 0.473 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cnn(C)c5)C[C@H]4C3)nn12 1888904093 NOVILQCOENZQQX-ZIAGYGMSSA-N 366.429 0.629 0 40 FCAB CN1CCN(C(=O)c2ncn3c2CC[C@@H](C(=O)N2CCCCC2)C3)CC1 2055713432 OHAKQSHNWQCOQY-OAHLLOKOSA-N 359.474 0.846 0 40 FCAB CCOCC(=O)N1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055772390 FETOEWXYGAOFHP-AWEZNQCLSA-N 362.352 0.916 0 40 FCAB O=C(CCc1ccc[nH]1)N1CCOC[C@]2(C1)CN(CC1CC1)C(=O)CO2 2055795702 GMZGWGZAKGUTHF-IBGZPJMESA-N 361.442 0.814 0 40 FCAB COc1ccc(CNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1OC 607407 RMOLOTNINOJCNQ-UHFFFAOYSA-N 359.386 0.600 0 40 FCAB COC(=O)[C@@H]1CS[C@@H](c2c(COP(=O)(O)O)cnc(C)c2O)N1 1608323 OTJUDGXSYPMNAZ-KWQFWETISA-N 364.316 0.582 0 40 FCAB Cn1c(=O)c2c(nc(NCCO)n2Cc2ccccc2Cl)n(C)c1=O 2316884 ITRFOJQDWPEZPS-UHFFFAOYSA-N 363.805 0.540 0 40 FCAB biogenic Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(N)=O 3367316 IEAQRXDXTRQLCE-HPOULIHZSA-N 361.807 0.246 0 40 FCAB C[C@@H]1CN(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)C[C@@H](C)O1 4493270 QMOVCJXCKRPNKH-VXGBXAGGSA-N 359.382 0.645 0 40 FCAB CCNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 4569441 WZNOIPDHXHKYMH-GFCCVEGCSA-N 369.443 0.101 0 40 FCAB Cc1cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1C1CCCCC1 6444615 AQOOHEFLMXEIEV-UHFFFAOYSA-N 358.402 0.448 0 40 FCAB OC[C@@H]1O[C@H](n2cc(Br)c3c(=S)nc[nH]c32)[C@@H](O)[C@@H]1O 6505205 JPAXVONCMNIIEJ-YRCUVVFSSA-N 362.205 0.468 0 40 FCAB COC(=O)Cn1c(=O)n(CCO)c(=O)c2c3c(sc21)COC(C)(C)C3 6719605 STVAVHJIYSYVSN-UHFFFAOYSA-N 368.411 0.241 0 40 FCAB C[C@@H]1CCCC[C@H]1NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 8281663 TZMNHDOYKDBYIN-CHWSQXEVSA-N 361.446 0.909 0 40 FCAB COc1ccccc1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 9314235 JAXBIRIAINYYIL-UHFFFAOYSA-N 368.187 0.624 0 40 FCAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCn1cnc2ccccc21 10237867 CTHVHDBYNFHGQE-CYBMUJFWSA-N 371.484 0.875 0 40 FCAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCN(c2ncccn2)CC1 12236515 QLYHONWFXXOKQF-CYBMUJFWSA-N 372.454 0.727 0 40 FCAB CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)O 12417071 JZJFUWJJEDHNRG-PSASIEDQSA-N 374.440 0.891 0 40 FCAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(-n4cnnn4)cc3)cc2o1 12557265 GPQBNIYTMUQFEK-UHFFFAOYSA-N 358.339 0.898 0 40 FCAB Cn1c(CNC(=O)[C@H]2CCCO2)nc2cc(NS(C)(=O)=O)ccc21 13733536 YJNZZSHFCRBICC-CYBMUJFWSA-N 352.416 0.740 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 18095738 DOMSBGXMTOVLON-MBMAUGEUSA-N 357.410 0.588 0 40 FCAB CC(C)NC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 19448649 CLXSJPYPIQZRCX-KPZWWZAWSA-N 359.430 0.859 0 40 FCAB CCC(CC)NC(=O)Cn1c(=O)c(N2CCCCC2)c(N)n(C)c1=O 24984358 OGQSESJXQBCBRZ-UHFFFAOYSA-N 351.451 0.424 0 40 FCAB Cn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2c1CCS(=O)(=O)C2 41070342 BEPFSLCLWSCMSX-UHFFFAOYSA-N 363.395 0.550 0 40 FCAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1nnc2n1CCC2 78955001 CUSHEDARVCUESI-LBPRGKRZSA-N 355.464 0.087 0 40 FCAB Cc1cc(C(=O)Nc2nc(C(=O)NCCCn3ncccc3=O)co2)no1 90583221 GCFXJBYATOUTMK-UHFFFAOYSA-N 372.341 0.600 0 40 FCAB CC(C)OC[C@H](O)CN1CCN(CC(=O)N2CCc3ccccc32)CC1 97473141 CQPYYMJDYFCSKO-GOSISDBHSA-N 361.486 0.979 0 40 FCAB COc1cccc(CN2CCN(C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C(=O)O)CC2)c1 101442032 BGWXNYCWNDJRBT-XSLAGTTESA-N 372.421 0.994 0 40 FCAB CC(=O)N1c2ccccc2O[C@@H]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)[C@@H]21 257255473 KHPNXUDYARCMRR-DGCUDZEOSA-N 356.382 0.315 0 40 FCAB CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)c3cnn(C)c3)C2)ncn1 257256552 KLYMNKDDWBEDDR-QGZVFWFLSA-N 359.434 0.037 0 40 FCAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2nccc(CN(C)C)n2)C1 257258113 KSKYYRPJTAMKBX-CQSZACIVSA-N 357.480 0.498 0 40 FCAB CC(=O)N1CC2(CCN(C(=O)Cc3nonc3C)CC2)C[C@]1(C)CO 257287886 PRWRXOOACYZZCB-MRXNPFEDSA-N 350.419 0.533 0 40 FCAB O=C1CCCN1CC(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257313477 USQZRTMEYSJXHS-FQEVSTJZSA-N 357.454 0.631 0 40 FCAB CS[C@H](CO)[C@@H](C)NC[C@@H](O)Cn1c(-c2ccccc2)noc1=O 580445123 JZRPLMWWIVBQRB-MRVWCRGKSA-N 353.444 0.566 0 40 FCAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3[C@@H](CCN3C(=O)c3conc3C)O2)cn1 585108430 KKVMAIOLYVZNBC-BZUAXINKSA-N 371.397 0.770 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(Cn2ccnn2)cc1 585123792 QEYPQWFARBPSOA-SFHVURJKSA-N 357.414 0.694 0 40 FCAB COC[C@]1(CC(N)=O)CN(C(=O)CCOc2ccc(F)cc2)CCO1 585276466 AJHNSMYQQIRBJT-KRWDZBQOSA-N 354.378 0.714 0 40 FCAB O=C(CCCS(=O)(=O)N1CCCC1)N1CCOC[C@H]1c1ncon1 679319411 UMKJMMUQAUMDFC-LBPRGKRZSA-N 358.420 0.175 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cnc(C)nc3C(C)C)C2)C1 685942476 NPZVVQPHJWYWJB-GFCCVEGCSA-N 359.430 0.327 0 40 FCAB COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NC(=O)c2cccc(F)c2)nn1 1549160439 CSJXQHNTVGMZEA-RRFJBIMHSA-N 350.350 0.122 0 40 FCAB Cn1ccc(CC(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)n1 1565541600 FRYJXJMYPONVBQ-UHFFFAOYSA-N 358.446 0.076 0 40 FCAB Cc1cnnn1Cc1nnn2c1CN(C(=O)CCc1ccc[nH]1)CCC2 1565554899 JPVMFKOXTIIWSE-UHFFFAOYSA-N 354.418 0.920 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5nc[nH]n5)C[C@@H]4C3)nn12 1888914295 KLAGYNYBHGNERY-QWRGUYRKSA-N 353.390 0.013 0 40 FCAB O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(CC(=O)N2CCCC2)C1 2055746317 NWKWJBVCSXZTRB-RRFJBIMHSA-N 359.430 0.517 0 40 FCAB CNC(=S)NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 3305850 BNGRQODGVQTLLN-QPJJXVBHSA-N 369.468 0.341 0 40 FCAB CC(=O)CN1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148090 LDNWADRMBQEYJN-UHFFFAOYSA-N 366.381 0.247 0 40 FCAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1 5707226 GDDNLCRRKSFBEC-HUUCEWRRSA-N 366.414 0.978 0 40 FCAB CC[C@H](C)[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)OC 8197952 KRACPILRQKWXJU-GXFFZTMASA-N 357.432 0.721 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)Nc3ccccc3N3CCOCC3)cnc21 11328477 KIVSRDRRGPEHDU-UHFFFAOYSA-N 368.397 0.605 0 40 FCAB COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1 12437296 JNDOIVKCAMWRMW-LLDVTBCESA-N 366.366 0.787 0 40 FCAB O=C(NCc1ccccc1)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1 19372683 ZFVHSXCRSPAMNP-UHFFFAOYSA-N 369.425 0.874 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 20768743 XOMPXJYPSLUCJU-UHFFFAOYSA-N 374.415 0.960 0 40 FCAB COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NC(C)C 20889552 JJLXSTAJUXYIAQ-CYBMUJFWSA-N 356.444 0.753 0 40 FCAB COc1ccc(OC[C@H](O)CN2CCN(CC(=O)NC3CC3)CC2)cc1 25300897 UBLSFYKCAZLQEC-MRXNPFEDSA-N 363.458 0.331 0 40 FCAB Cc1cc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)[nH]n1 54762259 YFLAHJWPVYAQKK-UHFFFAOYSA-N 369.491 0.985 0 40 FCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NCCc1ccccc1 57637942 PSCVDIDYVUQTGT-UHFFFAOYSA-N 368.441 0.667 0 40 FCAB COc1ccc(NC(=O)c2nccnc2N)cc1OCC(=O)NC1CC1 58163108 XHRUCRFJIOGDGX-UHFFFAOYSA-N 357.370 0.977 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)N2CCn3cccc3[C@H]2C)CC1 58166043 GJNPJEJHACIXSL-CYBMUJFWSA-N 356.448 0.884 0 40 FCAB Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)Nn4cnnc4)C3)ncn2)n1 70638174 BRGRNTXHTLVHKQ-AWEZNQCLSA-N 367.417 0.857 0 40 FCAB CCn1cc([C@H]2C[C@H](C(=O)NC(C)(C)C)N(C)S(=O)(=O)N2)c(C)n1 72335030 PEQYEWWXRMTZSX-CHWSQXEVSA-N 357.480 0.706 0 40 FCAB COc1cc(N2C[C@H]3OCCN(C(=O)c4cccn4C)C[C@H]3C2)ncn1 96108070 DDTCCVLFTMVAFJ-DZGCQCFKSA-N 357.414 0.801 0 40 FCAB COC[C@@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2cncn2C1 96207176 WBGBBJQGMGYOFE-ZDUSSCGKSA-N 353.448 0.701 0 40 FCAB COC[C@H]1CCS(=O)(=O)C12CN(C(=O)Cc1cccc(OC)c1)C2 247830342 HJEUEPHEIKOFNL-CQSZACIVSA-N 353.440 0.900 0 40 FCAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1ccc(=O)n(-c2ccc(F)cc2)n1 257234480 GTRGRUAYPNYOTE-FRFSOERESA-N 361.373 0.766 0 40 FCAB CC(C)Cc1cc(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)n(C)n1 257310788 UGOZCKYWJWLMPC-GOSISDBHSA-N 358.446 0.780 0 40 FCAB CC[C@H]1CN(C(=O)Cn2c(=O)nc(O)c3ccccc32)C[C@@]2(CCOC2)O1 330166630 YEHOHTGDGQXLRF-ORAYPTAESA-N 373.409 0.899 0 40 FCAB COc1ccc(S(=O)(=O)N2CCc3cncnc3C2)cc1CC(=O)O 546959873 HFKOGNMBJVMMPU-UHFFFAOYSA-N 363.395 0.859 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)C1CN(c2cc(-c3ccccc3)ncn2)C1 575414010 CORVMAIERBOOKH-HNNXBMFYSA-N 372.450 0.883 0 40 FCAB C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1 580832345 XYKAMRMZWBNCOL-ZETCQYMHSA-N 355.821 0.750 0 40 FCAB C[C@H]1[C@@H](C(=O)O)CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 580939492 LMRZSIGSWSEQKJ-FZMZJTMJSA-N 358.460 0.902 0 40 FCAB CC[C@H](C)[C@@H](C(=O)NCCn1cnc2ccccc2c1=O)n1cnnn1 604419501 BMJVGAFUFYWKTM-WFASDCNBSA-N 355.402 0.787 0 40 FCAB Cc1nnc2n1C[C@H](C(=O)N1CCN(c3ccccc3F)CC1)N(C)C2 644236051 JDDBCSUGDFEXDV-MRXNPFEDSA-N 358.421 0.888 0 40 FCAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)nn1 663357361 LLLRYTUQZADFRV-UHFFFAOYSA-N 374.426 0.878 0 40 FCAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)[C@@H]4C[C@@H]4C)C[C@H]23)n1 1549162936 WZCQTPYPCWGYQF-YUTCNCBUSA-N 357.414 0.663 0 40 FCAB CC(C)N(C)CC(=O)N1CCOC[C@@]2(C[C@H](Cn3cnnc3)CO2)C1 1565545086 ACGAAQSAUGDAAX-NVXWUHKLSA-N 351.451 0.252 0 40 FCAB O=C([C@H]1CCOC1)N1CCOC[C@@]2(C1)CN(c1cccnc1)C(=O)CO2 1565554350 YHFCZTZGNKPTQB-KBXCAEBGSA-N 361.398 0.079 0 40 FCAB O=C(Nc1ccccc1)C1=NO[C@@]2(CCCN(C(=O)[C@H]3NCC[C@@H]3O)C2)C1 1565554580 BVPWGZKRCIKDAN-BXWFABGCSA-N 372.425 0.485 0 40 FCAB COCc1ccc(CN2CCOC[C@H]2CNC(=O)CCCC(N)=O)cc1 1615611393 LEJRPMAACZERKD-QGZVFWFLSA-N 363.458 0.806 0 40 FCAB O=C(CN1CCO[C@H](C(=O)N2CCSCC2)C1)NCc1ccco1 2086868767 FGGUNBWDZQZADG-AWEZNQCLSA-N 353.444 0.172 0 40 FCAB CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2CCO)c1=O 4940503 PKYGRRSPBLLVPQ-UHFFFAOYSA-N 357.370 0.623 0 40 FCAB O=C1CC[C@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc3c(c2)OCO3)N1 6764506 LCHVIENXLWXKIM-MNOVXSKESA-N 363.395 0.534 0 40 FCAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)c1nccnc1N)OCO2 7714650 BACWLMFKBRYWOQ-UHFFFAOYSA-N 358.310 0.786 0 40 FCAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC2CCCC2)cc1 11904377 GJDQUFAIQMDZJZ-UHFFFAOYSA-N 358.441 0.974 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnccn3)CC2)cc1 15929764 PQJONKPAPYUYTR-UHFFFAOYSA-N 362.411 0.632 0 40 FCAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NC2CCCC2)cc1 20768820 QHXXPRPREXOLST-UHFFFAOYSA-N 353.444 0.612 0 40 FCAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)NOCc1ccccc1 25284314 IMXVYSTXOIHZOB-UHFFFAOYSA-N 354.160 0.547 0 40 FCAB C[C@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C)C(=O)Nc1ncnc2nc[nH]c12 29683774 UZHZVEOALKVYKH-DTWKUNHWSA-N 362.390 0.774 0 40 FCAB CCc1cccc(CC)c1NC(=O)Cn1c(=O)c(N(C)C)c(N)n(C)c1=O 32682469 BSZKMHDFCDJTBH-UHFFFAOYSA-N 373.457 0.959 0 40 FCAB COc1ccc(CCN2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)cc1 58202737 QZXIDKICDWSOIZ-UHFFFAOYSA-N 371.489 0.889 0 40 FCAB CCCNC(=O)CN1c2ccccc2N(CC(=O)NCCC)S1(=O)=O 58244748 OVGBOYBJHAYKQW-UHFFFAOYSA-N 368.459 0.610 0 40 FCAB CN(CC(=O)NCCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 72274721 BDSATZISOPZLCA-AWEZNQCLSA-N 359.492 0.014 0 40 FCAB 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351.399 0.945 0 40 FCAB O=C(O)CN(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1 3193170 FFJHNJMZPCNIKN-UHFFFAOYSA-N 352.162 0.609 0 40 FCAB CC(=O)N[C@H](C)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 12983972 USQVOTMIYSIPIC-CYBMUJFWSA-N 367.471 0.789 0 40 FCAB Cc1noc(C)c1CC(=O)Nc1cnn(CC(=O)NC[C@H]2CCCO2)c1 19746177 LQCLNOKVUIOZSA-CQSZACIVSA-N 361.402 0.964 0 40 FCAB CCOc1cc(CNCCNC[C@@H](C)O)cc(Cl)c1OCC(N)=O 22075688 VFSYANDFOUMIGA-LLVKDONJSA-N 359.854 0.663 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)Nc3cccnc3-n3cccn3)cnc21 23170777 XZWLCIPLVCMGIM-UHFFFAOYSA-N 350.342 0.349 0 40 FCAB CCCCn1nnnc1CN1CCN(c2ncnc3c2cnn3C)CC1 23661844 KIGZYWCVSJXZJV-UHFFFAOYSA-N 356.438 0.472 0 40 FCAB CN(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 24688729 KSPLFMYIHMGQRU-UHFFFAOYSA-N 361.414 0.749 0 40 FCAB CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 32639834 DWPHRIANESMSHA-AAEUAGOBSA-N 371.459 0.989 0 40 FCAB COC(=O)[C@H](C)N(C(=O)COc1ccccc1)[C@H]1CCS(=O)(=O)C1 32641322 BVQXMKSBOGNGQM-STQMWFEESA-N 355.412 0.643 0 40 FCAB 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CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 29197260 IGYKEYPLURDKAI-CQSZACIVSA-N 363.443 0.480 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 35269212 BCVGOCNTTRBIFI-UHFFFAOYSA-N 354.476 0.829 0 40 FCAB COc1ncccc1NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 49058605 BXNMFSAFGABFRK-GHMZBOCLSA-N 353.400 0.064 0 40 FCAB CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 58019641 KIQRCADZYCZELU-UHFFFAOYSA-N 351.472 0.570 0 40 FCAB CCN(C(=O)CN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 58442213 CQETUYCFTNOYLP-KRWDZBQOSA-N 365.499 0.844 0 40 FCAB C[C@@]1(C2CCN(C(=O)NCc3ccc4c(c3)OCO4)CC2)NC(=O)NC1=O 79015867 QMVCZKQZLSTXLY-SFHVURJKSA-N 374.397 0.935 0 40 FCAB CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C1 84791016 SBGVRLSGXWJKEC-RYUDHWBXSA-N 356.492 0.854 0 40 FCAB Cc1nn(C)cc1CN1CC[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 108525918 AQXVAAWTGQLCNR-IRXDYDNUSA-N 356.430 0.634 0 40 FCAB O=C(O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1NCCCO 217631896 JRCBROFTNWSMBM-LLVKDONJSA-N 358.416 0.636 0 40 FCAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCn2ccnc2)s1 223398423 SWWFPWRAHBLXEW-UHFFFAOYSA-N 358.449 0.698 0 40 FCAB CS(=O)(=O)c1snnc1C1CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)CC1 247504919 GQHZHLGXYDVXOZ-GRYCIOLGSA-N 369.468 0.991 0 40 FCAB Cn1cc(N2CC[C@H](NC(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)C2=O)cn1 274527975 QDXKQNXWKGHYLM-SOUVJXGZSA-N 363.462 0.964 0 40 FCAB CO[C@]1(CC(=O)NCc2ccc(CO)cc2)COCCN(C(C)=O)C1 585280762 OOSKVSTZQNMWIX-SFHVURJKSA-N 350.415 0.449 0 40 FCAB COc1cc(/C=C/C(=O)N(C)[C@@H]2COC[C@@H](OC)[C@H]2O)cc(OC)c1 585285442 DCBSKRGGSZUNDK-YKTJGPKUSA-N 351.399 0.950 0 40 FCAB CN(CCN1CCCC1=O)S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 651558558 VEOWLFZEPACKOF-UHFFFAOYSA-N 372.468 0.358 0 40 FCAB O=S(=O)(NC[C@]1(OCCO)CCOC1)c1cnn(-c2ccccc2)c1 657084861 CFHBUWDOSLPAQD-MRXNPFEDSA-N 367.427 0.319 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCOC[C@]2(C1)CN(c1ccoc1)C(=O)CO2 1565545925 OZVOBKZXGZDERL-MMNPAVHPSA-N 362.382 0.133 0 40 FCAB CCOC(=O)[C@@H]1COC2(CCN1C(C)=O)CN(C(=O)c1ccc(C)o1)C2 1565552471 VSBQQGJIQYDFDZ-AWEZNQCLSA-N 364.398 0.983 0 40 FCAB C=CC(=O)N1CCC(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)(c2ccccc2)CC1 1596717721 WAQMBHRDLGAUFD-OSYLJGHBSA-N 358.438 0.733 0 40 FCAB CCN1CC[C@@H](S(=O)(=O)CCS(=O)(=O)[C@@H]2CCN(CC)C2)C1 4994911 WKGVJFDPFDGRMG-ZIAGYGMSSA-N 352.522 0.004 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)c2cc3c(s2)CCC3)c(=O)n(C)c1=O 7006659 CSEWTSWLLVUGSE-UHFFFAOYSA-N 363.395 0.256 0 40 FCAB O=C(C[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](O)[C@H]1O)N1CCCC1 8624292 UEYANEOSCIZVRY-CIRFHOKZSA-N 368.861 0.931 0 40 FCAB biogenic,in-vitro Cn1c(NCCN)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C 8642784 ZVGKEDZKLBGECF-UHFFFAOYSA-N 362.821 0.506 0 40 FCAB O=C(NCCCO)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 8879174 QBNLHAMXLJITFZ-PSFFPDNBSA-N 372.377 0.200 0 40 FCAB COc1cccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 10806837 QDGISLUKARVCGZ-UHFFFAOYSA-N 362.773 0.979 0 40 FCAB C[C@@H](C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1)N1CCOCC1 19078113 BQENWKLWLYAFIA-AWEZNQCLSA-N 359.474 0.549 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1 22934723 MZXPQQGQIFDMKC-UHFFFAOYSA-N 354.476 0.561 0 40 FCAB CC(=O)Nc1ccc(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)cc1 32647425 SOOAFQFQQKTAHN-UHFFFAOYSA-N 355.358 0.431 0 40 FCAB O=C(CCc1ccccc1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 32853742 WDVBINLBMFUZKU-MRXNPFEDSA-N 364.467 0.725 0 40 FCAB Cn1ncc(C(=O)O)c1C(=O)Nc1ncn(Cc2ccc(C(=O)O)cc2)n1 36617519 VJVNDPVXVATDIA-UHFFFAOYSA-N 370.325 0.709 0 40 FCAB O=C(CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 52997141 WQWIDLXGJGMXPC-MGPQQGTHSA-N 354.403 0.349 0 40 FCAB CCN(C)C[C@H]1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 96005494 XJXZQLHTMVPYHE-CQSZACIVSA-N 357.520 0.991 0 40 FCAB O=C(Cn1nc2n(c1=O)CCCC2)N1CCN(c2ccccc2F)CC1 98211232 IRXVAKRINCEHBW-UHFFFAOYSA-N 359.405 0.869 0 40 FCAB CNC(=O)c1cccc([C@H]2CNCCN2CC(=O)Nc2cn(C)nc2C)c1 257320893 VZBSQMBVQFYIAS-QGZVFWFLSA-N 370.457 0.673 0 40 FCAB COc1ncccc1CN1Cc2ccnn2C[C@@H](CNS(C)(=O)=O)C1 306124621 BUTAJFBXVWWZLR-ZDUSSCGKSA-N 365.459 0.468 0 40 FCAB CN1CCC(Oc2ccc(CNS(=O)(=O)c3cnnn3C)cc2)CC1 328823438 GPNRRDZHXGXCMZ-UHFFFAOYSA-N 365.459 0.767 0 40 FCAB O=C(CO[C@@H]1CCOC2(C1)CN(C(=O)c1cnccn1)C2)N1CCCC1 575405884 VLFQZZCXOOHGCB-CQSZACIVSA-N 360.414 0.489 0 40 FCAB CN(C)S(=O)(=O)c1ccc(N2CCC[C@H](F)C2)c(S(N)(=O)=O)c1 575845296 DJWFJDAFEXMIFQ-JTQLQIEISA-N 365.452 0.523 0 40 FCAB Cn1cnn(CC(=O)N(Cc2nccs2)[C@H]2CC23CCNCC3)c1=O 576519850 IZXWNDZGLIKGAK-LBPRGKRZSA-N 362.459 0.209 0 40 FCAB Cn1ccc(CC(=O)N2C[C@H]3OCCN(C(=O)c4ccccc4)C[C@H]3C2)n1 585107931 GOQQPXOXLOJONW-FUHWJXTLSA-N 368.437 0.962 0 40 FCAB CN1CCN(C(=O)C[C@@H]2C[C@H]3CN(C(=O)C4(F)CCC4)C[C@H]3O2)CC1 585109334 JWQSVLOGMIPJRB-SOUVJXGZSA-N 353.438 0.659 0 40 FCAB CNS(=O)(=O)/C=C/CNC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 585146116 HAGTYRKNEZVONM-CGAJTASUSA-N 355.391 0.358 0 40 FCAB CC(C)c1nnc2n1C[C@H](NC(=O)N1CCN(c3nncn3C)CC1)CC2 654522095 DMZLAQFUXPBYKN-CYBMUJFWSA-N 373.465 0.377 0 40 FCAB CCN(C)C(=O)c1cccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)c1 667093934 HKKASEFRGMWIKP-UONOGXRCSA-N 369.443 0.712 0 40 FCAB Cn1cnc(S(=O)(=O)N2C[C@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c1 1258995669 VMLIHQMMIFLIGQ-CHWSQXEVSA-N 366.468 0.874 0 40 FCAB C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@]12CC[C@H](C(=O)NCC1CC1)O2 1565550925 JXQACDXJNCRBTR-DFHBCGBQSA-N 361.446 0.741 0 40 FCAB O=C(O)CSc1nc(SCC(=O)O)nc(SCC(=O)O)n1 4896006 VXNGOCHAONEDDA-UHFFFAOYSA-N 351.387 0.402 0 40 FCAB Cc1cn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)n(CCCc2ccccc2)c1=O 4962153 LGNMCLVPLLWTIZ-ULQDDVLXSA-N 360.410 0.592 0 40 FCAB CCOc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(CC)CC3)=N2)cc1 5790804 FLADRWREEAAIDJ-MRXNPFEDSA-N 373.457 0.906 0 40 FCAB COC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl 7425943 MFAIVCJPPCNZPY-DAXSKMNVSA-N 358.807 0.831 0 40 FCAB CC1(C)Cc2c(sc3[nH]c(=O)n(CC(=O)NCCCO)c(=O)c23)CO1 8770372 TVVFZXLZTCCTKE-UHFFFAOYSA-N 367.427 0.101 0 40 FCAB O=C(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)NCc1ccccn1 9423669 VGBRSVGVKDPQAZ-UHFFFAOYSA-N 351.366 0.293 0 40 FCAB Cc1nc(C)n(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)n1 12187827 JYWPEIIMKLHXHS-VIFPVBQESA-N 365.415 0.593 0 40 FCAB COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)n(C)c(=O)n3C)c2c1 15107531 PFAZONNMUUPVKX-UHFFFAOYSA-N 356.382 0.546 0 40 FCAB CCOC(=O)c1nnn(-c2nonc2N)c1CN1C[C@H](C)O[C@@H](C)C1 20494296 BEEBPFAIAXXKEL-IUCAKERBSA-N 351.367 0.018 0 40 FCAB CCS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1 22822236 WCJMPVIDMAONHY-UHFFFAOYSA-N 368.503 0.816 0 40 FCAB CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 35291091 GVBFYIWALIJPCC-UHFFFAOYSA-N 370.413 0.030 0 40 FCAB COCCn1cc(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cn1 40139433 MMURCALUTIADMY-UHFFFAOYSA-N 362.386 0.915 0 40 FCAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc21 49659652 ZQDISUIZZIPQOV-VIFPVBQESA-N 358.441 0.382 0 40 FCAB Nc1cnccc1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 95451093 IIRDXAMNDYFEMB-UHFFFAOYSA-N 372.337 0.940 0 40 FCAB Cn1cc(N2C[C@]3(COCCN(C(=O)N4CCCC4)C3)OCC2=O)cn1 96051448 ODJANHMMMRCCMD-QGZVFWFLSA-N 363.418 0.070 0 40 FCAB CC(=O)NCC(=O)N1CC[C@@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96053565 DHTSDEVXLXOVAC-IBGZPJMESA-N 373.457 0.743 0 40 FCAB CCCS(=O)(=O)N1CC[C@]2(CN(c3cccnc3)C(=O)CN2C)C1 96230511 AWZGXMKOXMBLMT-MRXNPFEDSA-N 352.460 0.544 0 40 FCAB Cn1ccnc1CN1CCOC[C@]2(C[C@H](CNc3ncccn3)CO2)C1 96240497 SHNARACYDASRPU-QAPCUYQASA-N 358.446 0.930 0 40 FCAB COCCN1CC[C@H](c2nnc3ccc(C(=O)N4CCOCC4)cn23)C1 96267486 BTMCHLQCMZTFJO-AWEZNQCLSA-N 359.430 0.637 0 40 FCAB Cc1ccc(O[C@H]2CCCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)nn1 225460004 PZIKVLDFQLWQHI-ZDUSSCGKSA-N 359.386 0.095 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)c1c(-n2cnnn2)sc2c1CCC2 524732528 MOGLKFRLRYXIPQ-QMMMGPOBSA-N 353.429 0.129 0 40 FCAB O=S1(=O)CC[C@H](NCCNS(=O)(=O)c2ccc3ccccc3c2)C1 575421089 HSQMASNWYWVCAZ-HNNXBMFYSA-N 368.480 0.895 0 40 FCAB C[C@@H](C(=O)N(C)CC(=O)N1CCOc2ccc(CN)cc21)n1cccn1 638806371 RAVQVNBPLXOTCS-ZDUSSCGKSA-N 357.414 0.787 0 40 FCAB CCn1cc(CN2CCC(C(=O)NCCOC)(n3cccn3)CC2)cn1 2055781596 RTRXMWMTDPIXFI-UHFFFAOYSA-N 360.462 0.853 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3nn(C)c(C)c3Cl)[C@@H]2SC1 2758712 JPYGNUTTXKHNGF-RNCFNFMXSA-N 370.818 0.754 0 40 FCAB COc1cc(CC(=O)OCC(=O)N2CCCC2=O)cc(OC)c1OC 3442610 KJDLRHHNYOMUIU-UHFFFAOYSA-N 351.355 0.947 0 40 FCAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(C2=COCCO2)o1 4264430 HITQPTBXXZWQKO-UHFFFAOYSA-N 356.294 0.650 0 40 FCAB C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5895183 LJYKTCAARDGSQB-SECBINFHSA-N 356.356 0.092 0 40 FCAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)N1CCCCCC1 8848621 MTBKZRSVZAMCKJ-UHFFFAOYSA-N 369.425 0.959 0 40 FCAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc3nnnn3n2)CC1 12809289 QWOOWEOHPGAJAK-UHFFFAOYSA-N 353.342 0.210 0 40 FCAB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N(C)CC(=O)NC1CC1 12855358 AMASAAPENRZOBJ-UHFFFAOYSA-N 366.849 0.947 0 40 FCAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3c2nnn3C)CC1 13531710 WLOFOFRQCYPJTD-UHFFFAOYSA-N 365.419 0.151 0 40 FCAB COCCN(C(=O)c1ccncc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14161457 PBQDPAGUNVUEJI-UHFFFAOYSA-N 361.402 0.463 0 40 FCAB CCOC(=O)C1=C(COC(=O)CNC(=O)C2CCCCC2)NC(=O)NC1 18268283 GKSPTFWSRSFSHT-UHFFFAOYSA-N 367.402 0.356 0 40 FCAB O=C(O)Cc1c[nH]c(=O)n(-c2ccc(I)cc2)c1=O 20156434 JGCAMPPNHVOSSG-UHFFFAOYSA-N 372.118 0.758 0 40 FCAB NC(=O)[C@H]1CC(C(=O)NCCc2ccccn2)=NN1c1ccc(F)cc1 32657619 LAMCQNJPJQHVPL-MRXNPFEDSA-N 355.373 1.000 0 40 FCAB O=C(CCN1C(=O)CCC1=O)NCc1nnc2ccc(C(F)(F)F)cn12 33236565 DYHSAKRSUGJHKJ-UHFFFAOYSA-N 369.303 0.903 0 40 FCAB O=C(Cn1cnc(-c2ccccc2)cc1=O)NCCn1ncccc1=O 38509360 ADAOADCMOPGLGH-UHFFFAOYSA-N 351.366 0.283 0 40 FCAB CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)[C@H]2[C@H]1C(=O)O 40163782 KPMUTTPQTKHPLK-OJROKELRSA-N 364.423 0.671 0 40 FCAB Nc1ncnc2c1nc(OCc1ccccc1)n2[C@H]1C[C@H](O)[C@@H](CO)O1 43771683 RMKGWLUSIWDAMW-YNEHKIRRSA-N 357.370 0.628 0 40 FCAB CCCCn1c(CN2CCNC(=O)C2)nc2cc(S(N)(=O)=O)ccc21 58159150 IYPSCRSPYUFGGO-UHFFFAOYSA-N 365.459 0.416 0 40 FCAB Nc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc(-c3ccccc3O)n[nH]1)C2 71758913 DXYFQJHONPDBHO-UHFFFAOYSA-N 352.354 0.646 0 40 FCAB Cc1ccc(CN2CCO[C@@]3(COCCN(S(C)(=O)=O)C3)C2)s1 96049871 SCAZZGNZZWVHRR-HNNXBMFYSA-N 360.501 0.919 0 40 FCAB CC(=O)N1C[C@H]2C3(CCN(S(C)(=O)=O)CC3)CC[C@@]2(C(=O)N(C)C)C1 96262402 XAXFQUUHFKYKSS-WMLDXEAASA-N 371.503 0.375 0 40 FCAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCN1CCCC1=O 100217223 SJYLITGNCVOILW-YZVOILCLSA-N 355.394 0.812 0 40 FCAB Cc1ccn2c(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)nnc2c1 121832043 CAQUJNHABAQWSH-LWWSYDQCSA-N 351.366 0.783 0 40 FCAB CCOc1ccc(-c2noc(CNC(=O)CN3C(=O)CCC3=O)n2)cn1 225816050 QVMMQKCRFRTHHF-UHFFFAOYSA-N 359.342 0.296 0 40 FCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 229785099 SMCSYGSHRDGSMS-ZTENYAIWSA-N 371.345 0.952 0 40 FCAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3cn(C)cn3)cn2)CC1 257229619 FYUGWYCBUPQTFZ-UHFFFAOYSA-N 356.430 0.941 0 40 FCAB Cc1cc(NC(=O)CN2CCC[C@](C(N)=O)(c3ccccn3)C2)nn1C 257329822 XLRPJIXGEVAPTI-GOSISDBHSA-N 356.430 0.581 0 40 FCAB CCOc1ccc(CNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1F 264449510 CJCWQGDSWOCNOW-UHFFFAOYSA-N 359.423 0.756 0 40 FCAB Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CNS(C)(=O)=O)C2)c(C)o1 306139074 SOSVHKKRSYSXOE-CYBMUJFWSA-N 366.443 0.914 0 40 FCAB Cc1ncccc1NC(=O)[C@@H]1COC[C@H]2CN(C(=O)C3CC(O)C3)C[C@@H]12 585108480 UFYONIOUGQXPRR-JREQNMATSA-N 359.426 0.820 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2cccc(OCCOC)c2)C1 644036607 SRZHOTQKSZJWHW-GOSISDBHSA-N 350.415 0.815 0 40 FCAB CN1CCN(C(=O)CN2CCCC[C@@H](O)C2=O)C[C@H]1Cc1ccccc1 644472578 QIJJLFJGEKCVND-QZTJIDSGSA-N 359.470 0.745 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@]2(COCCN(c3cccnc3)C2)C1 1565544367 FRNXRPCCSWMPPZ-VUHPKUFZSA-N 359.426 0.408 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@]2(COCCN(Cc3ccncc3)C2)C1 1565544761 QJXJANPDIOAKEF-XFKSJGNHSA-N 373.453 0.404 0 40 FCAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(C(=O)CC3CC3)CC2)[nH]1 2055713875 URECXOPYVLBZJC-UHFFFAOYSA-N 356.430 0.795 0 40 FCAB O=C(c1ccccn1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332243243 UWQFOQUMSXVCLE-AWEZNQCLSA-N 365.455 0.186 0 40 FCAB CS(=O)(=O)c1cnc2c(S(=O)(=O)c3ccccc3)cnn2c1N 1393558 RSGMUZPHVSCTBW-UHFFFAOYSA-N 352.397 0.548 0 40 FCAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1cnc2c1c(=O)n(C)c(=O)n2C 4829806 JRNFDNNGSPUXPH-SECBINFHSA-N 371.353 0.362 0 40 FCAB Cn1nnnc1SCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 5742822 UWYJLSHNZRUSDY-LBPRGKRZSA-N 373.504 0.651 0 40 FCAB N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12)c1ccccc1 9230244 QYIYFLOTGYLRGG-RULNRJAQSA-N 367.814 0.621 0 40 FCAB in-vitro Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C(=O)O)[C@@H](C)O 14120418 XSSYFZZDGSORJF-BXUZGUMPSA-N 370.427 0.343 0 40 FCAB O=C(NCCCN1CCOCC1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 22664555 LBMABBVXUXPKIO-OAHLLOKOSA-N 364.421 0.953 0 40 FCAB O=C(NCCn1nc(-c2ccco2)ccc1=O)C(=O)Nc1nccs1 38732084 SHQBHTMVFLNZMA-UHFFFAOYSA-N 359.367 0.715 0 40 FCAB NC(=O)NC(=O)CN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 58209639 PLAFMGHLJGZZQN-UHFFFAOYSA-N 374.850 0.278 0 40 FCAB CCCCN(C)S(=O)(=O)N1CCN(C(=O)Cc2ccccn2)CC1 58358016 XXGCSHHECSCOET-UHFFFAOYSA-N 354.476 0.745 0 40 FCAB COc1cc(C(=O)N[C@@H](C)C(=O)NCCC(=O)O)cc(OC)c1OC 95969657 JHHNSTQAGZPKMO-VIFPVBQESA-N 354.359 0.422 0 40 FCAB Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(C(=O)[C@@H]4CCOC4)C3)C2)cn1 96225980 SWCMAIQTMNAXJY-FZKQIMNGSA-N 373.413 0.185 0 40 FCAB CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1 97015075 KVHIFRMQVYGZNT-ZDUSSCGKSA-N 370.456 0.885 0 40 FCAB CN(C)CCNc1c(NC[C@H](c2ccco2)N2CCOCC2)c(=O)c1=O 101691916 IPQCUWWLUJWALK-CYBMUJFWSA-N 362.430 0.335 0 40 FCAB COc1ccc([C@@H]2OC[C@@H]3O[C@@H](OC)[C@@H](NC(C)=O)[C@@H](O)[C@H]3O2)cc1 110341199 BQXAGUXLANKRHQ-YHPRMOQLSA-N 353.371 0.346 0 40 FCAB in-vitro CS(=O)(=O)N1CCN(C(=O)c2ccnc(O[C@H]3CCSC3)c2)CC1 225722312 IMEYTGYCJVGPEP-ZDUSSCGKSA-N 371.484 0.683 0 40 FCAB CN(CC(=O)NC[C@]1(O)CCN(c2ncccn2)C1)Cc1cccnc1 257203674 ARBUVIBRNSLCNB-GOSISDBHSA-N 356.430 0.061 0 40 FCAB CC(C)c1nnc(CCC(=O)N2CC[C@](O)(CN3CCOCC3)C2)o1 257207639 BIOOEJSDLHSZHB-KRWDZBQOSA-N 352.435 0.421 0 40 FCAB CN(C(=O)c1ccc2c(c1)ncn2C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257211530 BZFWWHSFAWXRGX-KZNAEPCWSA-N 358.442 0.869 0 40 FCAB CC(C)(C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1)n1cncn1 257224967 FEECOGNKDOBHKL-HNNXBMFYSA-N 357.405 0.708 0 40 FCAB CC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3sccc3C)[C@H]2O)CC1 257296492 RDCDINBFYIFGDU-RBSFLKMASA-N 351.472 0.842 0 40 FCAB Cn1c(=O)nc(O)c2cc(C(=O)N3CCC[C@H](c4ncc[nH]4)C3)cnc21 328848570 TUAZGHNQIGTXTE-JTQLQIEISA-N 354.370 0.777 0 40 FCAB COC(=O)Cn1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c2ccccc21 408589317 DRDMLFSRFBRTIZ-WUXMJOGZSA-N 357.322 0.792 0 40 FCAB CCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(C(C)C)cc1 575421047 GJVJOTVBXCPUPQ-LSDHHAIUSA-N 361.485 0.979 0 40 FCAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 585101029 WVNFCGSZYLSCLQ-OAHLLOKOSA-N 361.442 0.771 0 40 FCAB CN1C(=O)C(c2[nH]c(O)nc2-c2ccc3c(c2)CCO3)C(=O)N(C)C1=O 604404312 BZBSHPPFTFKJEE-UHFFFAOYSA-N 356.338 0.851 0 40 FCAB biogenic CCN(C)C(=O)c1cccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)c1 667093935 HKKASEFRGMWIKP-ZIAGYGMSSA-N 369.443 0.712 0 40 FCAB Cn1cccc(C(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)c1=O 1565544209 AZHBEUSTZZEVRC-UHFFFAOYSA-N 367.409 0.835 0 40 FCAB CC(=O)c1cc(C(=O)N2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)n[nH]1 1565551035 JAOWGATUJNXVOO-UHFFFAOYSA-N 370.413 0.771 0 40 FCAB CC1CC(C(=O)N2CCOC[C@@]3(C2)CN(c2cncnc2)C(=O)CO3)C1 1565554518 UBBDGYDBEOVNGJ-WTNGLUPJSA-N 360.414 0.484 0 40 FCAB Cc1cc2ccc(C(=O)NC[C@@]3(c4nccn4C)NC(=O)NC3=O)cn2c1 1616034952 HQKOJZRLFRUKHD-SFHVURJKSA-N 366.381 0.446 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H]2OC[C@@H](C(=O)Nc3cccnc3)C[C@H]2C1 2055716086 YIXWEUJQIRSNRW-KCQAQPDRSA-N 368.459 0.554 0 40 FCAB COC(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O 4099764 AKIVAEMHBBAVNN-AFIMGQEJSA-N 364.350 0.801 0 40 FCAB CCNC(=O)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccccc3)CO[C@H]12 4259710 BLWZZGXEIYDIAD-IGQOVBAYSA-N 360.374 0.492 0 40 FCAB biogenic,in-vitro Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3cccnc3)[C@@H]4C2=O)no1 6673118 IOZYEGGIGLQOAY-NVQRDWNXSA-N 366.377 0.981 0 40 FCAB CCOC(=O)[C@H]1C(=O)Nc2nc(N)[nH]c(=O)c2[C@@H]1c1ccc(OC)cc1 8020457 ZKRMGKJRCRFVEH-CMPLNLGQSA-N 358.354 0.624 0 40 FCAB COc1ccc(CNC(=O)Cn2nc(C)cc2C(=O)N2CCOCC2)cc1 11931006 KIBYPRWZXPFQIY-UHFFFAOYSA-N 372.425 0.989 0 40 FCAB Cc1ccccc1OCCN(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15364202 BMXYFRXMKXAAIR-UHFFFAOYSA-N 367.427 0.092 0 40 FCAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)Nc3sccc3C(N)=O)nn12 15853975 SBNUJLGGQSKICP-MRVPVSSYSA-N 374.382 0.777 0 40 FCAB O=C(CN1CCOCC1)N1CCC(n2nnc3ccccc3c2=O)CC1 19375951 BGQYDNSBRBWLDN-UHFFFAOYSA-N 357.414 0.287 0 40 FCAB C[C@]1(c2ccco2)NC(=O)N(NC(=O)CCNC(=O)c2ccccc2)C1=O 21552748 FIAKQUFJDYXJCI-GOSISDBHSA-N 370.365 0.898 0 40 FCAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 21894651 ZWMZHGUYIIJYSI-INIZCTEOSA-N 352.391 0.008 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 29598030 AWCWGQONKOZCJX-SWLSCSKDSA-N 365.405 0.709 0 40 FCAB COc1cc(CCNC(=O)CC[C@H]2NC(=O)NC2=O)ccc1OC(F)F 39985026 ROGLALPNYLPVQS-SNVBAGLBSA-N 371.340 0.944 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CC1 40025531 AHFWPKTUWLIIKI-BQYQJAHWSA-N 360.439 0.989 0 40 FCAB CN1CCN(CC(=O)N2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)CC1 40386189 TUTIGWZAPSTJDC-INIZCTEOSA-N 356.426 0.412 0 40 FCAB CCc1ccccc1NC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 43941628 ROZFXOOGHIUVDN-UHFFFAOYSA-N 367.471 0.975 0 40 FCAB Cc1cc(NC(=O)[C@@H](C)NS(C)(=O)=O)ccc1N1CCN(C)CC1 63096800 NBQPVDXOYMDYGA-CYBMUJFWSA-N 354.476 0.623 0 40 FCAB Cn1cc(N2CCN(C(=O)CNC(=O)COc3ccccc3)CC2)cn1 74394137 LFFJHCVJMLXAHK-UHFFFAOYSA-N 357.414 0.264 0 40 FCAB Cc1nc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nn1-c1ccc(F)cc1 84280467 JDZWULPIQYYYAP-CYBMUJFWSA-N 352.391 0.974 0 40 FCAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@H](O)CN1CCOCC1 84383679 XGRFCIGTCXMCMT-RNOHYWCBSA-N 360.863 0.923 0 40 FCAB C[C@H]1CN(S(=O)(=O)CCNc2ncnc3nn(C)cc23)C[C@H](C)O1 95973298 AXIDOOASQPQXQO-QWRGUYRKSA-N 354.436 0.214 0 40 FCAB CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc(F)c(F)c(O)c1F 180188366 CKWIYCAUOYYPAD-SSDOTTSWSA-N 352.334 0.963 0 40 FCAB Cc1noc(C)c1S(=O)(=O)NCc1ccnc(N2CCOCC2)n1 211102619 VTIMTFFJVHEIFS-UHFFFAOYSA-N 353.404 0.397 0 40 FCAB COc1cccc(C(=O)N2Cc3cncn3[C@@H](CNS(C)(=O)=O)C2)c1 248155806 ZBBSTUWNHFHGNM-AWEZNQCLSA-N 364.427 0.638 0 40 FCAB COc1ccc2cc(CN3C[C@@H](O)[C@H](NS(C)(=O)=O)C3)ccc2c1 257209044 BOTIGQQEZBNXSC-IAGOWNOFSA-N 350.440 0.943 0 40 FCAB CCCS(=O)(=O)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 306126451 DWGMKWMSDYJTDN-CYBMUJFWSA-N 374.484 0.689 0 40 FCAB CNC(=O)C[C@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2ccnn21 585111513 CJPNUSIJDNEYCF-ZDUSSCGKSA-N 366.447 0.115 0 40 FCAB COC(=O)C1=NN=C(S(=O)(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 1775968953 ZSWGNSSYTCFCAT-UHFFFAOYSA-N 371.371 0.785 0 40 FCAB CC(C)N1C[C@@]2(COCC1=O)CN(C(=O)CCc1cccnc1)CCO2 2037985405 IXWUWWJBNWWJOL-LJQANCHMSA-N 361.442 0.879 0 40 FCAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@H](C)O1 3203293 PMZPUCJTUXMJOF-KBPBESRZSA-N 368.455 0.957 0 40 FCAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H]2CCCO2)c1 6544279 MITCDTSVZZWIOU-CYBMUJFWSA-N 356.400 0.598 0 40 FCAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N)nc(N)c32)cc1 10339080 CIURQOUQRIMXGP-JTQLQIEISA-N 355.358 0.664 0 40 FCAB COc1ccc(N2CCn3c2nnc(C(=O)NCCN(C)C)c3=O)cc1 12233884 ZMIQVJKWEZEAAM-UHFFFAOYSA-N 358.402 0.090 0 40 FCAB NS(=O)(=O)c1ccc(CCNS(=O)(=O)N2CCCCCC2)cc1 12745753 WSYOIAJUKCAIRX-UHFFFAOYSA-N 361.489 0.587 0 40 FCAB CCN(CC(=O)NCc1cccs1)C(=O)CN(C)CC(=O)NC1CC1 12986621 DAWXYIGBBYHJJP-UHFFFAOYSA-N 366.487 0.423 0 40 FCAB CC(=O)N1CCN(C(=O)CSc2nnnn2-c2cccc(C)c2)CC1 14094103 KUGVPMYTXPIKIE-UHFFFAOYSA-N 360.443 0.754 0 40 FCAB CCn1ccc(C(=O)N2CCCC[C@@H]2CCNS(=O)(=O)N(C)C)n1 19748942 OFPUDRQIWJSFPA-CYBMUJFWSA-N 357.480 0.684 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 20566060 UNCYZNYUKMRATD-JVRKEXCCSA-N 363.801 0.727 0 40 FCAB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2nccs2)CC1 21379976 SUSXDESEJDRRMQ-CHWSQXEVSA-N 372.516 0.299 0 40 FCAB CC[C@]1(C)NC(=O)N(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)C1=O 26805957 DZOBGSHTIVYCKI-NEPJUHHUSA-N 366.201 0.865 0 40 FCAB C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@@H](C)O 49181835 DNDACVRMGDHDQY-DNJLBHFNSA-N 369.370 0.026 0 40 FCAB biogenic,in-vitro CC(=O)c1c[nH]c(C(=O)NCC(=O)Nc2cccc3c(=O)[nH]nc(O)c23)c1 51384158 VHYMWISUHJDFKX-UHFFFAOYSA-N 369.337 0.528 0 40 FCAB O=C(NCc1cccc(F)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 71283124 FQWHXZYVLBAGBM-CYBMUJFWSA-N 367.402 0.607 0 40 FCAB Cn1ccnc1CN1C[C@@H](C(=O)O)C[C@@H](C(=O)NCc2ccccn2)C1 72121895 YCLUGAGNPWVHJK-KGLIPLIRSA-N 357.414 0.654 0 40 FCAB COC(=O)Cn1cnc(NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)n1 75148655 KORDJDZMJOQYOX-CPCZMJQVSA-N 363.418 0.817 0 40 FCAB C[C@@](O)(CNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 101137479 KMVHOFPAMDPLNQ-SLQVBAIZSA-N 354.406 0.817 0 40 FCAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3nccnc3N)C2)cc1 257299832 RRTUTKCZSISRKV-CYBMUJFWSA-N 350.400 0.830 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)CCCS(=O)(=O)c2ccccc2)CCN1C 257326740 WYLAVNMGVOMUMI-OAHLLOKOSA-N 367.471 0.129 0 40 FCAB C[C@@]1(O)CN(C(=O)c2ncccn2)CC[C@H]1n1cnc2c(N)ncnc21 257341587 ZKYXVYWVUHYWAI-QLJPJBMISA-N 354.374 0.037 0 40 FCAB CCCCN1CCC[C@]2(CC(C(=O)N[C@H]3CCS(=O)(=O)C3)=NO2)C1 585101198 NBIKRANWWZCPTI-BBRMVZONSA-N 357.476 0.701 0 40 FCAB Cn1ccc(CC(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)n1 585110480 FPZCPDRCPXLKRG-UHFFFAOYSA-N 356.430 0.217 0 40 FCAB CN(C)CCN1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1=O 650052389 GHDJTINHJFIFPW-UHFFFAOYSA-N 359.430 0.809 0 40 FCAB CCOC(=O)N1CCN(C(=O)CSc2nc(=O)[nH]c3c2CCC3)CC1 4316864 VEJIIUVUMKIMIP-UHFFFAOYSA-N 366.443 0.651 0 40 FCAB CCCNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 4569226 NGDDLPRMSASMTD-AWEZNQCLSA-N 367.471 0.791 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCO)CC2)cc1C 4813775 DMDDTEUDFIFLRF-UHFFFAOYSA-N 370.471 0.903 0 40 FCAB CCOCCn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 4930402 WBBMGYCKUJOWTE-UHFFFAOYSA-N 363.462 0.702 0 40 FCAB CC(C)[C@@H](C)NC(=O)COn1nnc2ccc(S(=O)(=O)N(C)C)cc21 5457403 DAECZBZBECEEAS-LLVKDONJSA-N 369.447 0.271 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2C(N)=O)c2ccccc2O1 7827639 RYTKKMGHWFDGRV-INIZCTEOSA-N 369.377 0.705 0 40 FCAB CCOC(=O)CN1C(=S)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 8990541 HKGBSDBFJWQREB-OLZOCXBDSA-N 354.453 0.822 0 40 FCAB Cn1ccnc1[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Cl)cc1 12530514 TUWVMNXJGIBVIF-OAHLLOKOSA-N 373.800 0.829 0 40 FCAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 14244430 VAKREKCSYDJFIB-DGCLKSJQSA-N 355.412 0.973 0 40 FCAB CCCCn1c(N)c(N(CCOC)C(=O)c2cnccn2)c(=O)[nH]c1=O 14624643 UEIPVVGQNDLVRL-UHFFFAOYSA-N 362.390 0.002 0 40 FCAB CC(=O)N[C@@]12CCNC[C@@H]1CN(S(=O)(=O)Cc1ccc(F)cc1)C2 19713667 AZLUTFIEXZDAPL-GDBMZVCRSA-N 355.435 0.456 0 40 FCAB O=C(CSc1nc(Cl)nc2nc[nH]c12)NCCCN1CCOCC1 20650198 KPRAGWLVYOZHSW-UHFFFAOYSA-N 370.866 0.937 0 40 FCAB CN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1 21916596 DEGLUDWTWSSIOS-UHFFFAOYSA-N 369.381 0.974 0 40 FCAB C[C@H](OC(=O)CN(C)c1ncccn1)C(=O)NC(=O)NCc1ccccc1 23173594 DDWCEQMGKOWZLS-ZDUSSCGKSA-N 371.397 0.871 0 40 FCAB COC(=O)CCN1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 23653678 ZNNRKDOIJWXKJV-UHFFFAOYSA-N 372.443 0.573 0 40 FCAB O=C(CN1CCN(C(=O)Cc2ccc(F)cc2)CC1)NC(=O)NC1CC1 30197470 VXPKPHZVYDKEIT-UHFFFAOYSA-N 362.405 0.501 0 40 FCAB Cn1ccc(NC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)n1 40157452 HYNYIBBROXUAPR-LBPRGKRZSA-N 359.411 0.972 0 40 FCAB Cn1ccnc1[C@@](O)(CC(=O)NCCCN1CCOCC1)C(F)(F)F 48363240 OIAVSMMWJMBEMS-AWEZNQCLSA-N 364.368 0.399 0 40 FCAB Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n2ncnc2n1 57584414 LSCTWZSRHPSFCX-UHFFFAOYSA-N 358.427 0.944 0 40 FCAB Cc1noc(CCNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)n1 58105185 FVNYTCDSQPRLCO-UHFFFAOYSA-N 374.369 0.684 0 40 FCAB CC(C)(C)OC(=O)N1CCN(C(=O)NC2CCN(CC(N)=O)CC2)CC1 58213921 HCXOQRVAKRNMPU-UHFFFAOYSA-N 369.466 0.198 0 40 FCAB NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCSCC1 95452281 RRJAMSBYYYUCQZ-UHFFFAOYSA-N 350.849 0.942 0 40 FCAB Cc1nnc(N2CCC[C@@]3(CN(C(=O)c4csnn4)CCO3)C2)o1 96226661 MCISXVDHXFLJOF-CQSZACIVSA-N 350.404 0.741 0 40 FCAB CC(=O)NC[C@@]1(COc2ccc(S(C)(=O)=O)cc2)C[C@H](O)[C@H](O)C1 107283777 SVFTZLJXELOSNR-ZSHCYNCHSA-N 357.428 0.107 0 40 FCAB biogenic,in-vitro CC(=O)N1CCC(C(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)CC1 225443718 TYINKFXMXCXLLM-HNNXBMFYSA-N 361.446 0.781 0 40 FCAB CS(=O)(=O)CC(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 247501786 FQKIFFOIJPSCCS-JTQLQIEISA-N 360.432 0.731 0 40 FCAB COc1cccc(C(=O)N2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)c1 248113975 ADRSLOYKKMAPSO-CYBMUJFWSA-N 368.455 0.866 0 40 FCAB COc1cccc2[nH]c(C(=O)N3CCN(C(C)=O)[C@@H](C(=O)N(C)C)C3)cc12 257220395 DKQJGWIDAJFVQJ-MRXNPFEDSA-N 372.425 0.938 0 40 FCAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cncc(CNC(C)=O)n1 257324335 WOETUOCAGQUJEJ-OAHLLOKOSA-N 355.464 0.836 0 40 FCAB CN1CC2(CCN(C(=O)C3CC3)CC2)Oc2ncccc2S1(=O)=O 306142197 WSPNJCSOSQJCDX-UHFFFAOYSA-N 351.428 0.866 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)N3CCN(c4cncc(F)c4)CC3)cnc21 570350388 KZYMFWODBCGIQJ-UHFFFAOYSA-N 371.376 0.013 0 40 FCAB CN1CC2(CN(C(=O)C3CCC3)C2)OC[C@H]1C(=O)NCc1cccnc1 575406330 NLSDLUVLSFPPIT-INIZCTEOSA-N 358.442 0.410 0 40 FCAB CN(C)CCN1CC[C@@]2(CN(C(=O)C3CC(O)C3)CC(F)(F)C2)C1=O 585093491 ZQRKUCXTPNXNPO-SEEARECTSA-N 359.417 0.405 0 40 FCAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)Cc2ccccn2)[C@H]2CCO[C@@H]21 585109377 MFCSKUCXDZMFCO-ZIFCJYIRSA-N 366.421 0.951 0 40 FCAB CN(C)CCOC[C@H]1CN(C(=O)CC2(O)CCC2)Cc2nnn(C)c21 1565551717 JSCPMSDZLRMUSZ-CYBMUJFWSA-N 351.451 0.124 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC2(CC(NC(=O)c3ccncc3)C2)C1 1565551875 UFFUXWYMHLOJLF-UHFFFAOYSA-N 365.455 0.627 0 40 FCAB Cc1nc(CN2C[C@@H]3CN(C(=O)CCS(C)(=O)=O)C[C@@H]3C2=O)cs1 1565555126 STKYVWHJOQETJZ-AAEUAGOBSA-N 371.484 0.303 0 40 FCAB CCc1ccc(C(=O)N2CC3(C2)CN(S(C)(=O)=O)c2nccnc23)cn1 1565556033 UYULGMIZIKNBNW-UHFFFAOYSA-N 373.438 0.607 0 40 FCAB O=C(c1cncc(F)c1)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888901351 YRRTVJJDAMEKPY-CHWSQXEVSA-N 353.361 0.867 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 2055745848 HRWXFDWKIAJXFW-YQQAZPJKSA-N 368.455 0.791 0 40 FCAB COc1ccccc1N1CCN(C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)CC1 3906519 DVRGCYXXWBWGPY-TWMKSMIVSA-N 358.394 0.998 0 40 FCAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCCN(C)CC2)cc1 6938657 SXRDMDQCVGBRIV-UHFFFAOYSA-N 355.460 0.528 0 40 FCAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCO)cc1Cl 7881267 BZCKIYLNDKEKEP-UHFFFAOYSA-N 364.851 0.858 0 40 FCAB CN(C)S(=O)(=O)c1cccc(Cn2nnn(-c3cccs3)c2=O)c1 10813639 CNMKYUHSWFAGRS-UHFFFAOYSA-N 365.440 0.789 0 40 FCAB CSCC[C@H](NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1C)C(=O)O 11635253 ARGURTFANSQQJJ-QMMMGPOBSA-N 359.429 0.649 0 40 FCAB CC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)NC(=O)CO3)C1=O 12856729 AWXXSIORJDJTCM-UHFFFAOYSA-N 359.338 0.647 0 40 FCAB CCN(CC(=O)NCCCOC)S(=O)(=O)c1cc(F)ccc1OC 13581118 IWYOFCVODGKTJY-UHFFFAOYSA-N 362.423 0.998 0 40 FCAB C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15957476 FITUUBFJCVHWRH-ZXAXBQBASA-N 369.421 0.730 0 40 FCAB O=C(NCCN1CCOCC1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 20622397 OOOVALBFDWGTIC-CYBMUJFWSA-N 359.434 0.018 0 40 FCAB Cc1cc(C)c(N(C[C@@H](O)CN2CCNCC2)S(C)(=O)=O)c(C)c1 23118703 TYTUUFNNBLLDNE-INIZCTEOSA-N 355.504 0.644 0 40 FCAB NC(=O)CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 23654289 GVNAWKGUVZOLGN-UHFFFAOYSA-N 369.443 0.030 0 40 FCAB Cc1n[nH]c(=O)c2c(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)oc(C)c12 32819274 ITJPDNDRDPODEH-JTQLQIEISA-N 368.415 0.190 0 40 FCAB COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@H]3NCC[C@H]3N2C)cc1 35442413 AINKEOUAGLYTCJ-LESCRADOSA-N 360.458 0.252 0 40 FCAB biogenic,in-vitro O=C(CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1)N1CCOCC1 36389537 KCPBBUZTSRHYSV-UHFFFAOYSA-N 357.454 0.792 0 40 FCAB CC(C)C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)N(C)C 40114356 BXJWAPDHRJCZID-OAHLLOKOSA-N 359.430 0.801 0 40 FCAB CCCCn1nnnc1CN1CCN(Cc2nnnn2CCCC)CC1 72801240 FUHBEFXHGJLFKA-UHFFFAOYSA-N 362.486 0.578 0 40 FCAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H](C(N)=O)C2)C1=O 75568203 SOXQHXDWRQTPFH-KZULUSFZSA-N 358.398 0.178 0 40 FCAB Cc1nnc([C@@]23CCO[C@@H]2CCN(S(=O)(=O)c2cccnc2)C3)o1 97953370 ZMRHSNSKZQLNKO-UKRRQHHQSA-N 350.400 0.894 0 40 FCAB Cc1cc(CN2CC3(CC[C@H](CNS(=O)(=O)C4CC4)CO3)C2)n(C)n1 248041021 OEQDELDEPNZXAL-CQSZACIVSA-N 368.503 0.791 0 40 FCAB CS(=O)(=O)N1CCC[C@@]12CCN(C(=O)Cc1cccnc1)C[C@@H]2O 257211998 CBMKPBVLHNGKSO-HOCLYGCPSA-N 353.444 0.012 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cc3cc(OC)ccc3n2C)CCN1C(C)=O 257271131 MWZNMGQHUHSEOY-QGZVFWFLSA-N 372.425 0.606 0 40 FCAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3ccsc3)[C@H]2O)CC1 257343586 ZTOYXHIDBKATAE-BZUAXINKSA-N 351.472 0.876 0 40 FCAB COc1ncccc1CN[C@H]1CCOC[C@@]12CC(C(=O)NC1CC1)=NO2 306136157 PLBASBYYAKEPMQ-YJBOKZPZSA-N 360.414 0.762 0 40 FCAB COc1ccccc1CN1C(=O)[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C1=O 409305488 NKZRHWXYTJYVJS-MMMWYMCRSA-N 357.362 0.877 0 40 FCAB CC[C@H]1OCCC[C@@H]1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 559309091 WXEXXAUEPYKLCG-JKSUJKDBSA-N 358.504 0.913 0 40 FCAB CC[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 562296459 LPRIMZAVBWRRSL-KGLIPLIRSA-N 358.460 0.902 0 40 FCAB COCCn1ccc(C(=O)N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)n1 575404560 OCHZDTPRCMNJPI-CQSZACIVSA-N 373.413 0.772 0 40 FCAB COc1cnccc1C(=O)N1Cc2nnn(C)c2[C@@H](COCCN(C)C)C1 1565552902 CDRLQVMMGASVTB-CYBMUJFWSA-N 374.445 0.537 0 40 FCAB COCCNC(=O)c1cnc2n1[C@H](CNC(=O)c1ncnc(C)c1C)CC2 1614935161 QCUDBXUGTQPNNF-ZDUSSCGKSA-N 372.429 0.583 0 40 FCAB CCOC(=O)[C@H]1COC2(CCN1C(C)=O)CN(C(=O)C1CC(C)C1)C2 1614939841 ZKAGAGOZMDTTMZ-PESDSKBTSA-N 352.431 0.814 0 40 FCAB CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc3cnccc3[nH]2)C[C@@H]1O)N(C)C 1702392292 QNQOMMHCJSZPBA-PMPSAXMXSA-N 359.430 0.205 0 40 FCAB Cn1cccc(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@@H]3C2)c1=O 2055750770 WTNAQUKDIWLDFG-SJORKVTESA-N 354.410 0.506 0 40 FCAB Cn1ccc(CC(=O)N2CCC[C@](C(=O)NCC3CC3)(n3ccnc3)C2)n1 2055771830 CVJZYDVIQYMITC-IBGZPJMESA-N 370.457 0.703 0 40 FCAB CN(C)S(=O)(=O)N1CCC2(CC[C@@H]2NC(=O)c2cccn2C)CC1 2055798611 CKEKIIRXIBGSOM-AWEZNQCLSA-N 354.476 0.806 0 40 FCAB CC[C@@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COC(C)C 625953 ZNQWANUJEPNPPI-MNOVXSKESA-N 353.423 0.420 0 40 FCAB COC(=O)c1ccccc1NC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O 3454474 USEVLXJZDDIXOI-UHFFFAOYSA-N 361.354 0.859 0 40 FCAB CCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7281088 CUYBDUGOJFTUSO-SECBINFHSA-N 361.851 0.845 0 40 FCAB O=C(COC(=O)c1nc(Cl)ccc1Cl)N[C@H]1CCS(=O)(=O)C1 11712638 VIMMJAQSVNOFLA-ZETCQYMHSA-N 367.210 0.849 0 40 FCAB Cn1c(=O)c2c(nc(NCCc3ccccc3)n2CC(=O)O)n(C)c1=O 12443298 QNBWFLLBCMVQPG-UHFFFAOYSA-N 357.370 0.173 0 40 FCAB Cc1cc(O)c2c(C)c(CC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)oc2c1 13628857 DWRVSRGAWLVKIO-LLVKDONJSA-N 365.407 0.961 0 40 FCAB COc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cn1 14269121 NHQOYRXOIBCKMA-UHFFFAOYSA-N 373.413 0.890 0 40 FCAB O=C(NCc1ccccc1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 25089335 AZWRZYKHYWIJMR-HNNXBMFYSA-N 365.455 0.475 0 40 FCAB COc1c2c(c(S(=O)(=O)NC(C)(C)CO)c3c1OCO3)CCN(C)C2 40312769 UITOLJZPMASOAU-UHFFFAOYSA-N 372.443 0.461 0 40 FCAB biogenic CCCc1nnc(NC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)s1 41070403 BMPZJIAXKLYUGV-UHFFFAOYSA-N 355.445 0.947 0 40 FCAB Cc1cc(C)n(-c2ccc(C(=O)NCCCn3ncccc3=O)nn2)n1 75163958 CRYAPUPOYYDIRJ-UHFFFAOYSA-N 353.386 0.656 0 40 FCAB Cn1nc(N2CCC[C@@H](C(=O)Nc3ccccc3C(N)=O)C2)ccc1=O 75166420 NYKOBHIWRFSZNB-GFCCVEGCSA-N 355.398 0.734 0 40 FCAB O=C(Cc1ccccc1Cl)NCCn1nc(-n2cncn2)ccc1=O 96025181 BIAZDPMBZHFKSL-UHFFFAOYSA-N 358.789 0.836 0 40 FCAB O=C(c1cnn2cccnc12)N1CCO[C@]2(COCCN(CC3CC3)C2)C1 96076634 OIZTUKHWGJKGLH-IBGZPJMESA-N 371.441 0.683 0 40 FCAB COCCN1C(=O)C[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(OC)cc1 107251599 HSATVODGAKUDOP-CABCVRRESA-N 354.428 0.706 0 40 FCAB CC(C)NC(=O)CN1CCN(C(=O)CN2CCc3sccc3C2)CC1 225498920 RVIVLLIDQFTZBC-UHFFFAOYSA-N 364.515 0.775 0 40 FCAB CC(=O)N1c2ccccc2O[C@@H]2CC[C@@H](NC(=O)c3cnn(C)c3)[C@@H](O)[C@@H]21 257339877 ZDOCZYWYHOJQGG-BNEJOLLZSA-N 370.409 0.856 0 40 FCAB COc1ccc(-c2n[nH]cc2CN2CCN(C(C)=O)[C@H](C(N)=O)C2)cc1 257339994 ZEBREQQDENEJPN-INIZCTEOSA-N 357.414 0.603 0 40 FCAB COc1ncccc1CN1Cc2ccnn2[C@H](CCNS(C)(=O)=O)C1 306123274 AIVUSUJEJGZGCB-OAHLLOKOSA-N 365.459 0.783 0 40 FCAB CN(C)CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3cccs3)C[C@@H]1C2 306127961 GMELAXYYKPSLJB-KBPBESRZSA-N 374.514 0.935 0 40 FCAB C[C@H]1C[C@@H](C)[C@@H](CN)CN1C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 584285867 ASLMSWBRMVQNJM-WOPDTQHZSA-N 361.446 0.021 0 40 FCAB O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@]2(O)CCCOC2)n1 656694400 LPLVZQXYXMRZNK-KRWDZBQOSA-N 357.370 0.053 0 40 FCAB O=C(O)[C@@H]1c2ccccc2CCN1C(=O)Cn1nc2n(c1=O)CCCC2 663149756 YZLWTHSXBLZLGM-INIZCTEOSA-N 356.382 0.592 0 40 FCAB C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CC[C@H](c2nn[nH]n2)C1 1560101311 IKRLRACAMKZFJK-JSGCOSHPSA-N 372.429 0.508 0 40 FCAB OC1[C@H](O)[C@H](OCc2ccccc2)C(O)[C@H](OCc2ccccc2)[C@@H]1O 4100825 AWRJNSJYOXKKTK-DHCVROCDSA-N 360.406 0.614 0 40 FCAB O=C(COC(=O)CNC(=O)C1CCCCC1)NC(=O)NCc1ccco1 5809736 QQBCJGGDHRYVEI-UHFFFAOYSA-N 365.386 0.845 0 40 FCAB CCN(C(=O)COC(=O)c1ccc(O)cc1O)[C@H]1CCS(=O)(=O)C1 5980063 UJJABNZZFVTNMT-JTQLQIEISA-N 357.384 0.290 0 40 FCAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1 6326727 LZPLMYTYWTWPQS-UHFFFAOYSA-N 369.487 0.774 0 40 FCAB COc1cccc(NC(=O)[C@@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)c1 6755775 BWYGRIACSNEDTH-NSHDSACASA-N 362.411 0.645 0 40 FCAB CC[C@@H](C)[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)OC 7398789 DARKTBPLNRYMML-YGRLFVJLSA-N 368.411 0.535 0 40 FCAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 12366182 HHYOVBCGCUVLRH-HUUCEWRRSA-N 352.456 0.773 0 40 FCAB CONC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 12536039 UDOGMLNPAGBAPR-UHFFFAOYSA-N 362.367 0.948 0 40 FCAB C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C[C@H](C)O1 14084928 PDTXPSSMUWEMIM-RYUDHWBXSA-N 362.473 0.735 0 40 FCAB C[C@@H](Sc1ncccn1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 14137688 WEAZIKVNVDXWPN-LLVKDONJSA-N 366.468 0.964 0 40 FCAB COc1ccccc1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 15701335 GHXMRKWHCOXZMP-UHFFFAOYSA-N 369.425 0.954 0 40 FCAB CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)C1=NNC(=O)CC1)C2 19017176 RNHVXGSWTJWKPF-HNNXBMFYSA-N 370.413 0.311 0 40 FCAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 22609812 JTTIDSKNFCKHIV-STQMWFEESA-N 358.485 0.672 0 40 FCAB Cc1cccc(OCC(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 28847061 SQNABUUYZNRNSV-ZDUSSCGKSA-N 355.412 0.563 0 40 FCAB CNC(=O)C1CCN([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 29165561 KZFSHDLIMUXTEB-LLVKDONJSA-N 368.459 0.119 0 40 FCAB Cc1cc(F)c2c(c1)CCCN2CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 30153222 OFTTYPNJAHUBBJ-UHFFFAOYSA-N 360.389 0.749 0 40 FCAB COC[C@H](C)NC(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 32738686 TYXARVJCXSHJKP-NVGCLXPQSA-N 369.418 0.181 0 40 FCAB O=C(NCCn1ncc2c(N3CCCC3)ncnc21)c1ccc(=O)oc1 35590552 IIAWZYGPZRAAFG-UHFFFAOYSA-N 354.370 0.810 0 40 FCAB Cn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c2c1CCCC2 96099146 ZLPBZTUOMZKYKR-UHFFFAOYSA-N 354.476 0.587 0 40 FCAB COc1cc(N2CCOCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225906298 DTSYXVWRCIEYFJ-NSHDSACASA-N 353.448 0.787 0 40 FCAB CCCS(=O)(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CCO2)C1 575405365 RUGHILRRAZJEJG-CQSZACIVSA-N 360.476 0.599 0 40 FCAB CC(C)c1nc(S(=O)(=O)NCc2nc(-c3cnn(C)c3)no2)cn1C 585149254 BFHUFSVBNXCORR-UHFFFAOYSA-N 365.419 0.806 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(Cc2nnnn2-c2c(C)cccc2C)C1 643815046 DUPHZKLKXOKRBV-SFHVURJKSA-N 358.446 0.742 0 40 FCAB O=S(=O)(NC[C@@]1(OCCO)CCOC1)c1cnn(-c2ccccc2)c1 657084860 CFHBUWDOSLPAQD-INIZCTEOSA-N 367.427 0.319 0 40 FCAB COc1ncccc1CN[C@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055729963 JVNXFJKEESYUPV-LBPRGKRZSA-N 366.443 0.775 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@H]12 811060 GRWHQLHFLOEFCN-UKRRQHHQSA-N 357.366 0.888 0 40 FCAB O=C(O)CC[P@@](=O)(O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)O 2139800 GMZDCTWASVFHEO-LBPRGKRZSA-N 357.299 0.934 0 40 FCAB biogenic CC(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)O 2140498 VBVNAGGXPWGYAJ-OZQKWHQZSA-N 373.402 0.608 0 40 FCAB CC(C)CNC(=O)COC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 3380703 CRZSYORMCICSFW-LLVKDONJSA-N 367.427 0.429 0 40 FCAB COC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 7349472 RAYHFKZRIBVLJI-ZDUSSCGKSA-N 356.444 0.781 0 40 FCAB Cn1c(SCC(=O)N2CCN(c3ncccn3)CC2)nnc1C1CC1 8129691 ASSLBIZBTRKAGA-UHFFFAOYSA-N 359.459 0.923 0 40 FCAB CCN1CCN(S(=O)(=O)CCNC(=O)c2c(F)cccc2F)CC1 12422839 JXMMEQVNLJHKBN-UHFFFAOYSA-N 361.414 0.662 0 40 FCAB CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 13096153 YXMWYFVDLLJNGE-CQSZACIVSA-N 369.487 0.916 0 40 FCAB O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 14111956 ZPVMZWHNJVPSQW-UHFFFAOYSA-N 355.435 0.754 0 40 FCAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2CCNS(=O)(=O)N(C)C)n1 19748939 MUGFGPCSTMYLDZ-OAHLLOKOSA-N 371.507 0.667 0 40 FCAB COC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 31660828 ICJFKRHQTANKJE-UHFFFAOYSA-N 370.431 0.429 0 40 FCAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1CCCC1=O 40017322 UVWYZLFCBAUTQG-UHFFFAOYSA-N 358.398 0.521 0 40 FCAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCN2)c1 53254704 ILJRLKPGUNDDLJ-VIFPVBQESA-N 352.865 0.774 0 40 FCAB COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)C)C1 58281606 WHRRJWQYLHLIPO-LBPRGKRZSA-N 354.428 0.962 0 40 FCAB Cc1noc(C[C@@H]2C[C@H]3CN(S(=O)(=O)c4cn(C)cn4)C[C@H]3O2)n1 96220739 KHCIWQYPFHWHHT-SDDRHHMPSA-N 353.404 0.132 0 40 FCAB COCC(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1 96296403 ZLQBWFDANFNXNJ-ZDUSSCGKSA-N 359.382 0.983 0 40 FCAB biogenic,in-vitro C[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 97166151 DNYKIUKSKLWDIV-LBPRGKRZSA-N 361.489 0.487 0 40 FCAB Cc1ccc([Sn]23OCCN(CCO2)CCO3)cc1 195996402 GXARTLYMUHKANG-UHFFFAOYSA-N 356.010 0.520 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2cccnc2O[C@H]2CCSC2)CC1 252549069 QRFJJJXRNJYFDQ-LBPRGKRZSA-N 371.484 0.683 0 40 FCAB CN(C(=O)CCCn1cncn1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257220767 DMBMQMSGLAEKMK-BFYDXBDKSA-N 351.451 0.131 0 40 FCAB CN(C)C(=O)c1cnn2c([C@H]3CCCCN3S(C)(=O)=O)ccnc12 257230763 GDVHFZPXQLDJGY-GFCCVEGCSA-N 351.432 0.918 0 40 FCAB Cc1cn([C@@H]2C[C@@H](CN[C@@H](C)c3ccccc3)[C@@H](O)[C@@H]2O)c(=O)nc1O 257256755 KMTKPWFRGBTCLC-WSOGKROESA-N 359.426 0.891 0 40 FCAB COc1ncccc1CN[C@H]1CCOC[C@]12CC(C(=O)NC1CC1)=NO2 306136155 PLBASBYYAKEPMQ-MAUKXSAKSA-N 360.414 0.762 0 40 FCAB CS(=O)(=O)N1CCC(CNC(=O)CN2Cc3ccccc3C2=O)CC1 331958185 OTERSEQOWGMRGZ-UHFFFAOYSA-N 365.455 0.430 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)C1CCCCC1 408621361 MYHAPCQGZHDPFR-UHFFFAOYSA-N 361.508 0.419 0 40 FCAB COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)Nc2cccnc2)[C@H]1O 514289002 NEIJPRPRNJLVRS-FXUDXRNXSA-N 350.419 0.442 0 40 FCAB biogenic,in-vitro COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 643944352 APWOWDSCZOMHAC-IBGZPJMESA-N 359.426 0.916 0 40 FCAB Cc1nc(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)nn1-c1ccccc1 1130618761 MQFSFYKSKLENKG-UHFFFAOYSA-N 352.354 0.475 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 1565543484 WNRNGZNFJCAOSA-YCPHGPKFSA-N 354.428 0.654 0 40 FCAB CS(=O)(=O)N1CCOC[C@@]2(CN(C(=O)CC3=CCCCC3)CCO2)C1 2055812527 OMSVMVBGSWAHJW-QGZVFWFLSA-N 372.487 0.766 0 40 FCAB CC(C)c1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1N 9882173 JTSDZMRCBMULDU-UHFFFAOYSA-N 370.460 0.494 0 40 FCAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)NCc1ccco1 12236060 JPULFCYHEXRHMR-LBPRGKRZSA-N 373.456 0.931 0 40 FCAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(=O)[nH]c1 12552792 NXNGYJJBYNQUOO-UHFFFAOYSA-N 370.409 0.922 0 40 FCAB CCS(=O)(=O)N1CCC(NC(=O)CNC(=O)c2ccc(C)cc2)CC1 13005695 DFBZRGCBYWBFKI-UHFFFAOYSA-N 367.471 0.655 0 40 FCAB C[C@@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)C(=O)N1CCOCC1 16680712 ZWGPBXBLOJAKSF-LLVKDONJSA-N 373.438 0.921 0 40 FCAB CCOc1ncccc1CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 23101940 UZCOEPSNGGYVJW-UHFFFAOYSA-N 354.366 0.800 0 40 FCAB Nc1nccnc1C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24148135 CXDYLSKYQWYACU-UHFFFAOYSA-N 365.397 0.253 0 40 FCAB CN1CCc2nc(NC(=O)Cn3cnc4c(cnn4C)c3=O)sc2C1 27988657 BNHWTDHBVYCLKZ-UHFFFAOYSA-N 359.415 0.213 0 40 FCAB COC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)O)c3ccccc23)C1=O 33707495 GUDNGBSBKSSJGO-WUXMJOGZSA-N 357.322 0.792 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2CCCc1ccccc1 38140072 JIOQFGLCEPFQHB-UHFFFAOYSA-N 357.414 0.850 0 40 FCAB CCCNC(=O)CN(CCC)C(=O)CCn1nnc2ccccc2c1=O 54327854 BSVGUBDXSRQGIL-UHFFFAOYSA-N 359.430 0.946 0 40 FCAB O=S1(=O)C[C@@H](O)[C@H](N2CCN(c3ccnc(-c4ccccc4)n3)CC2)C1 95395082 VWUUXWNAWRUZIM-HZPDHXFCSA-N 374.466 0.424 0 40 FCAB NC(=O)N1CCC2(CC1)C[C@@H](C(=O)N1CCNC(=O)C1)Oc1ccccc12 96080206 HUNCIVOVJDVZOC-HNNXBMFYSA-N 372.425 0.208 0 40 FCAB Cc1ccc2nc3c(cc(C(=O)N[C@H]4CCS(=O)(=O)C4)n3C)c(=O)n2c1 96347390 SWSQPYDWYWSKPZ-NSHDSACASA-N 374.422 0.412 0 40 FCAB CC1(C)[C@@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 100050108 BWMFRQKICHXLSH-ZCKRDOAJSA-N 370.486 0.168 0 40 FCAB O=C1CCC(=O)[C@@]23C4C5[C@H]6[C@@H]5[C@@H](n5c(=O)n(-c7ccccc7)c(=O)n5[C@H]62)[C@]143 104283674 XNVICNIWYLYIIP-OFUAFVKMSA-N 361.357 0.321 0 40 FCAB CCOc1ncccc1CNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 108088844 GOZFQMYLPFAKBG-QHSBEEBCSA-N 359.382 0.259 0 40 FCAB Cc1c(NC(=O)CN2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)cnn1C 257252990 JXCNVVRWVNDKFO-QGZVFWFLSA-N 370.457 0.339 0 40 FCAB Cc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c(C)c1 409027150 AUBJOIPGOXDFRU-UHFFFAOYSA-N 367.471 0.793 0 40 FCAB CN(C)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)cc1 409301119 ZRRYFYDWDOVLDH-MMMWYMCRSA-N 356.378 0.939 0 40 FCAB O=C(CN1CCOCC1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585112599 RSFUHYDHTYADOK-GOSISDBHSA-N 370.453 0.994 0 40 FCAB O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(CN(Cc3cnc[nH]3)C2)C1 604381746 MNMMDIISAHSIJC-GOSISDBHSA-N 367.453 0.821 0 40 FCAB biogenic,in-vitro CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCOC(C)(C)C1 645808728 JUFBWALCUUCJLH-HNNXBMFYSA-N 367.471 0.515 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(CCc2ccc3c(c2)CCO3)CCO1 648048903 DVSBVWQURDDPCV-QGZVFWFLSA-N 362.426 0.798 0 40 FCAB CN1CCN(CCN2CCCC2)C(=O)C12CCN(C(=O)C1(F)CC1)CC2 1565551131 JWYRTLODLYKIFL-UHFFFAOYSA-N 366.481 0.720 0 40 FCAB C=CC(=O)N(C)CC(=O)N1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1 1648335362 YVTRJTGORAJDSZ-KGLIPLIRSA-N 355.398 0.750 0 40 FCAB CCNC(=O)NC(=O)CN1C(=O)N[C@](CC)(c2ccc(OC)cc2)C1=O 5797897 YBKFHIZKPWLDTG-QGZVFWFLSA-N 362.386 0.698 0 40 FCAB O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2ncccn2)CC1 8134531 CNFSAXXOVSBEOS-UHFFFAOYSA-N 367.409 0.941 0 40 FCAB Cc1nn(C)c(C)c1NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 9363875 NYECHUZPYLOGKG-UHFFFAOYSA-N 363.443 0.686 0 40 FCAB Cc1cc2ccccc2n2c(=O)n(CC(=O)N3CCNC(=O)C3(C)C)nc12 12182080 SOMFLRFHKKLETJ-UHFFFAOYSA-N 367.409 0.695 0 40 FCAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)NCCNC(=O)c3ccccn3)N2C=C1 12204808 DBRUXLDMHLJKKS-IBGZPJMESA-N 367.409 0.791 0 40 FCAB Cc1ccc(S(=O)(=O)N(CC(=O)O)[C@H]2CCS(=O)(=O)C2)cc1C 13029911 KLTNBPSRNCTYEU-LBPRGKRZSA-N 361.441 0.566 0 40 FCAB CCn1cncc1C(=O)N1CCCC[C@@H]1CCNS(=O)(=O)N(C)C 19745858 LFZZIPZNMJVUJE-CYBMUJFWSA-N 357.480 0.684 0 40 FCAB C[C@@H](C(=O)N1CCCc2ccccc21)n1cnc2c1c(=O)n(C)c(=O)n2C 21984147 KKPHFEXJINWKNH-LBPRGKRZSA-N 367.409 0.974 0 40 FCAB COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 22587428 WLZVVVYNUWCIER-QGZVFWFLSA-N 374.441 0.724 0 40 FCAB C[C@@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)N1CCOCC1 24682288 WQVZTMSQFVYIGZ-LBPRGKRZSA-N 362.473 0.089 0 40 FCAB CCOCCCN1C(=O)C(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 32721630 DCUHHJBFCBDASE-UHFFFAOYSA-N 351.334 0.982 0 40 FCAB O=C(CCNC(=O)C(F)(F)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 52993320 WSBHHAOCBYBNNS-GFCCVEGCSA-N 360.382 0.588 0 40 FCAB COc1ccccc1CC(=O)N1CCC(NS(=O)(=O)N(C)C)CC1 58194286 PXYBBWDIIGGUDO-UHFFFAOYSA-N 355.460 0.625 0 40 FCAB COc1ncccc1C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O 85470708 MTTOYZVEGVLAGJ-UHFFFAOYSA-N 354.370 0.477 0 40 FCAB CO[C@@H]1[C@H](C)[C@@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C12CCC2 95995782 WUNMXGNCKUNPQV-KCPJHIHWSA-N 365.455 0.804 0 40 FCAB CN(C)C(=O)N1CCOC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 96051326 KYUZPLNMQYBDBV-QGZVFWFLSA-N 351.378 0.942 0 40 FCAB Cc1cnn([C@@H]2CCCN([C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2)c1 106223229 VFRAITTXPVTTPH-ARFHVFGLSA-N 368.503 0.862 0 40 FCAB COc1ccccc1O[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@H](O)[C@@H]1NC(C)=O 247904377 BUZDTRJMALZTAY-BPKGMFCQSA-N 367.398 0.816 0 40 FCAB O=C(NCCn1c(O)nc2ncccc2c1=O)c1n[nH]c2c1CCCC2 253537261 HZHZZXDBISNTMX-UHFFFAOYSA-N 354.370 0.529 0 40 FCAB CNc1cc(N2CCC[C@@](O)(CNC(=O)Cc3cccnc3)C2)ncn1 257280487 OLBQKUROUPXJDQ-GOSISDBHSA-N 356.430 0.604 0 40 FCAB O=C(c1ccncc1)N1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1 306142204 WSXKEZGAXHOWPX-CABCVRRESA-N 367.409 0.470 0 40 FCAB CCNS(=O)(=O)c1cc(C(=O)N2CCN(C)CC2)ccc1OCC 408700433 FXXMZGGGLQCKQS-UHFFFAOYSA-N 355.460 0.771 0 40 FCAB CC(C)CC(=O)N1CC2(C1)CN(C)[C@H](C(=O)N(C)Cc1ccccn1)CO2 575406391 OHZBHXOPCWGWFX-KRWDZBQOSA-N 374.485 0.998 0 40 FCAB COC[C@@]1(C(N)=O)CCCN1S(=O)(=O)c1cc(C)c(OC)c(C)c1 643703512 VMLMVLWKDGBJFE-MRXNPFEDSA-N 356.444 0.967 0 40 FCAB Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1ccc2c(c1)NC(=O)CO2 646192239 WRJNJQIUOQPMMB-KZULUSFZSA-N 355.398 0.861 0 40 FCAB CN1C[C@]2(COCC1=O)CN(C(=O)Cc1ccc(F)cn1)C[C@H]2N(C)C 1565549894 IEDXGHDPSWYCLI-CRAIPNDOSA-N 364.421 0.011 0 40 FCAB CN(C)C(=O)COC[C@H]1CN(C(=O)c2csnn2)Cc2ncn(C)c21 1565551535 SBBBUCAYQCCCRM-SNVBAGLBSA-N 364.431 0.116 0 40 FCAB C[C@@](CO)(c1ccc(Br)cc1)N1CCN(CC(N)=O)CC1 1616033000 YRSZHTGQJUZVKV-OAHLLOKOSA-N 356.264 0.760 0 40 FCAB COc1ccccc1C1=NO[C@H](Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 4039349 AQWXLNOOWSMTKT-NSHDSACASA-N 369.381 0.636 0 40 FCAB Cn1c(=O)c2[nH]c(NCCOC(=O)c3ccc(F)cc3)nc2n(C)c1=O 4818528 NJAWKRLDVRXORR-UHFFFAOYSA-N 361.333 0.368 0 40 FCAB COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)c1cccs1 5397923 JFTHFGDCSODCFI-ZYHUDNBSSA-N 367.427 0.099 0 40 FCAB biogenic,in-vitro CC(C)N1C(=O)C(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1=O 7090959 QXPJSJYFBMAYIX-LLVKDONJSA-N 372.381 0.950 0 40 FCAB Cn1c(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc(=O)n(C)c1=O 10498270 OFFIDJLASXDHQV-LJQANCHMSA-N 368.393 0.368 0 40 FCAB O=C1C[C@@H](SCCN2CNC(=S)NC2)C(=O)N1c1ccccc1 14608233 BMJDGORIEMITBI-GFCCVEGCSA-N 350.469 0.746 0 40 FCAB COc1cccc(NC(=O)[C@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 36366601 ZPAOLIRLLBJDKV-JQWIXIFHSA-N 355.416 0.509 0 40 FCAB CCOC(=O)[C@@H]1CSCCN1C(=O)CNC(=O)Cc1ccccc1 40062233 QWTKQFTZBOVGPH-AWEZNQCLSA-N 350.440 0.852 0 40 FCAB CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 59101983 SOODLZHDDSGRKL-NFBPQSOOSA-N 353.415 0.244 0 40 FCAB biogenic CC1(C)S[C@@H]([C@H](NC(=O)COc2ccccc2)C(=O)O)N[C@@H]1C(=O)O 65748378 FJTUHYOOCYRLJI-XQQFMLRXSA-N 368.411 0.529 0 40 FCAB in-vitro COc1ccccc1OC[C@H](O)CN1CCN(CC(=O)N(C)C)CC1 71279726 SJXBPGJCQQYERA-OAHLLOKOSA-N 351.447 0.141 0 40 FCAB O=C(CCn1nnc2ccccc2c1=O)NCCc1nnc2ccccn12 72404310 BAMSRSCVAPCVCM-UHFFFAOYSA-N 363.381 0.583 0 40 FCAB CCc1nnc(COC(=O)CNS(=O)(=O)c2ccc(C)cc2)n1C 89296133 GVYSCCRUMCFOHZ-UHFFFAOYSA-N 352.416 0.708 0 40 FCAB Cn1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccoc4)CC3)C2=O)cn1 95401427 LSSWMHXKTGHBOL-MRXNPFEDSA-N 357.414 0.967 0 40 FCAB CCOC(=O)[C@H]1CC[C@@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 95966980 MUMFLLBPHGHXDS-NWDGAFQWSA-N 353.419 0.945 0 40 FCAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)C1CC1)C2 96056981 NRYJHFOEXCDOLL-ZBFHGGJFSA-N 360.476 0.455 0 40 FCAB CC(=O)N[C@@H]1[C@H](OCCc2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 247968669 XTDWBJYOEJCBLM-MDMSPXHWSA-N 365.426 0.988 0 40 FCAB biogenic CC(=O)NCCCCCC(=O)N1CC[C@]2(Cc3c(N)nc(N)nc3O2)C1 257232210 GJVVLXPVRBQLLY-KRWDZBQOSA-N 362.434 0.244 0 40 FCAB CN1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C[C@@H]1C(N)=O 257241514 HYHLWMVJQJXFOK-GFCCVEGCSA-N 373.379 0.409 0 40 FCAB Cc1cc2nc(C3CCN(CC(=O)N4CCOCC4)CC3)cc(O)n2n1 257292213 QKMHPICQIRNNFC-UHFFFAOYSA-N 359.430 0.782 0 40 FCAB CC(C)[C@H](NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)C(F)(F)F 331916414 BPGGUWYCLYQVSJ-NSHDSACASA-N 372.413 0.202 0 40 FCAB COCCN1CC[C@@]2(CN(C(=O)c3ncccn3)CC(F)(F)C2)C1=O 585093090 BHLKIKZZSVMQFA-OAHLLOKOSA-N 354.357 0.823 0 40 FCAB CN(C)CCN1C[C@@H]2CN(C(=O)c3cn(C)nc3C(F)F)C[C@@H]2C1=O 585107406 ZZNPKBSISKSXPI-MNOVXSKESA-N 355.389 0.450 0 40 FCAB COc1cccc(CN2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)c1 585113070 YPDOVRZCKRSYAO-HNNXBMFYSA-N 350.444 0.998 0 40 FCAB CC(C)N(CCO)C[C@@]1(O)CN(C(=O)Cc2ccccc2)CC[C@@H]1O 585283648 GIKHZCPKFAKPAC-PKOBYXMFSA-N 350.459 0.256 0 40 FCAB Cn1ccnc1[C@@H]1CNCCN1C(=O)c1ccc(S(C)(=O)=O)s1 644129024 FIPYCIIUQTWGLV-JTQLQIEISA-N 354.457 0.672 0 40 FCAB O=C1CN(C(=O)c2cccc(NC(=O)c3n[nH]c4c3CCC4)c2)CCN1 1565525049 YXSZUGSOUUTKKJ-UHFFFAOYSA-N 353.382 0.723 0 40 FCAB COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)CN(C)C(C)C)CC2 1565551300 OIFVLRZFKVQVML-CYBMUJFWSA-N 351.451 0.203 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3nn(C)c(C)c3Cl)[C@H]2SC1 2758710 JPYGNUTTXKHNGF-NOZJJQNGSA-N 370.818 0.754 0 40 FCAB O=CN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccnc3)cc2)CC1 8048371 MRMMAQUPDJATJH-UHFFFAOYSA-N 374.422 0.797 0 40 FCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1nnc2n1CCCCC2 8709404 NRYFRXKAAFTQPW-UHFFFAOYSA-N 368.397 0.324 0 40 FCAB C[C@]1(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CCS(=O)(=O)C1 10025110 WTPCUUNZUPFRRA-QAPCUYQASA-N 364.467 0.771 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C)c(NCC(=O)N2CCNC2=O)c1 12534527 NNZKYHZXSHUHMB-UHFFFAOYSA-N 368.459 0.989 0 40 FCAB Cn1c(N)c(C(=O)CSc2nc3ccccc3n2C)c(=O)n(C)c1=O 12542065 RZSNTAAQMVTVRZ-UHFFFAOYSA-N 359.411 0.528 0 40 FCAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C1CCN(S(C)(=O)=O)CC1 14172092 NGKDOPUHCPIHLG-GXTWGEPZSA-N 360.476 0.896 0 40 FCAB CC(C)(C)OC(=O)COC(=O)CNC1=NS(=O)(=O)c2ccccc21 18326458 USLYBCBXYXSGTG-UHFFFAOYSA-N 354.384 0.610 0 40 FCAB COc1ccc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1OC 20017062 QJUVPCGYNWEZQJ-ZDUSSCGKSA-N 356.444 0.992 0 40 FCAB COC(=O)CCN(C(=O)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 32641443 QGOPVOKFYVSQTM-AWEZNQCLSA-N 369.439 0.817 0 40 FCAB C[C@@H]1C[C@H](OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)C(=O)O1 32736549 CWIYFHYROUXBLR-KOLCDFICSA-N 352.368 0.362 0 40 FCAB CC(C)c1cc(O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]2O)cc(C(C)C)c1O 35644601 UXCRGVWMLWGVRH-JLOCXQCDSA-N 370.398 0.910 0 40 FCAB CC(=O)[C@H](C)n1c(CN2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 36092923 OSRCOTWWVHVXDX-DCAQKATOSA-N 363.418 0.183 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC1CC1 36589925 WZWHLSVIRMIXSJ-IUODEOHRSA-N 359.469 0.695 0 40 FCAB O=C(CNC(=O)Cc1cccc(F)c1)NCC(=O)NCc1ccccc1 52941692 UDFGAFOCPYPLAD-UHFFFAOYSA-N 357.385 0.917 0 40 FCAB COc1ccc(CN(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F 58314650 MRPCJHPTKAPSCD-UHFFFAOYSA-N 371.390 0.052 0 40 FCAB CCn1cc([C@@H]2C[C@@H](C(=O)NCC(C)C)N(C)S(=O)(=O)N2)c(C)n1 72335027 FYCINRZHNAGUDG-KBPBESRZSA-N 357.480 0.563 0 40 FCAB O=C(COC[C@H]1CN(c2ncccn2)Cc2cncn2C1)N1CCCC1 96216457 XSOKVBROBDKISE-HNNXBMFYSA-N 356.430 0.949 0 40 FCAB C/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)c(OC)c1 101185350 UCNVJNROIFMPMC-WVVQHMHCSA-N 367.398 0.051 0 40 FCAB Cc1ccnn1CCNC(=O)C(=O)N[C@@H]1C(=O)N(C(C)C)c2ccccc21 101679448 ULJMYYPFHQSZOK-INIZCTEOSA-N 369.425 0.920 0 40 FCAB CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 102329948 SKPXLYIJNUECJT-RVMXOQNASA-N 354.384 0.411 0 40 FCAB O=C(CN1C(=O)CCC1=O)NCc1nnc2ccc(-c3ccsc3)nn12 245020791 MHCVNMNIGGTGGA-UHFFFAOYSA-N 370.394 0.618 0 40 FCAB Cn1cc(C(=O)N[C@@H]2C[C@H](O)[C@H](O)[C@H]2N2CCc3ccccc3C2)cn1 257210807 BWHPWZCMECFUAK-OWSLCNJRSA-N 356.426 0.071 0 40 FCAB CC(C)(C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1)n1cncn1 257224968 FEECOGNKDOBHKL-OAHLLOKOSA-N 357.405 0.708 0 40 FCAB CC1=C(C(N)=O)CC2(CCN(C(=O)Cc3c(C)nc(N)nc3C)CC2)O1 257226800 FMFXZVYSJLZTMA-UHFFFAOYSA-N 359.430 0.759 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CN2CCCC2=O)CCN1CCc1ccccc1 257262096 LKADYQFKAVSGRC-KRWDZBQOSA-N 372.469 0.110 0 40 FCAB CCn1nc2c(cc1=O)CN(C(=O)c1c[nH]nc1[C@H]1CCCCN1)CC2 685941245 BBQMKCNSAKULRR-OAHLLOKOSA-N 356.430 0.999 0 40 FCAB Cc1cc(N2CCN(c3ncncc3F)CC2)nc(N2CCOCC2)n1 1889085932 WTHYEPXAWBAFGF-UHFFFAOYSA-N 359.409 0.877 0 40 FCAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc2c(c1)OCO2 4025192 AKIVAEMHBBAVNN-LUXYFRNMSA-N 364.350 0.801 0 40 FCAB biogenic C/C=C/c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)c(OC)c1 4950153 UCNVJNROIFMPMC-VDURAGFBSA-N 367.398 0.051 0 40 FCAB C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 4964101 BCJMNZRQJAVDLD-GRTHRLADSA-N 351.399 0.165 0 40 FCAB Cn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1=O 5843089 RLPQBSLLOYNKDG-UHFFFAOYSA-N 362.411 0.817 0 40 FCAB COC(=O)CN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)N(C)C1=S 8091412 LLJJWOIZJYYNML-WMZJFQQLSA-N 364.379 0.997 0 40 FCAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 9048406 JSBBECLYEILEKH-UHFFFAOYSA-N 357.819 0.558 0 40 FCAB COC[C@H](C)NC(=S)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 13038569 GGVDMTAOKLMULW-QFYYESIMSA-N 366.443 0.876 0 40 FCAB CCn1nnnc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 24504507 ZCOYZKPFOZGERI-UHFFFAOYSA-N 370.460 0.640 0 40 FCAB CCOC(=O)c1ccc(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)cc1 32647369 NIKCOZVCHGOPHH-UHFFFAOYSA-N 370.369 0.649 0 40 FCAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(-n2cncn2)nc1 40108121 NQBAGRDHKFXMDN-CYBMUJFWSA-N 364.431 0.093 0 40 FCAB O=C1CN(S(=O)(=O)c2ccc(I)cc2)CCN1 44296140 ZKIIAQAQJLDDAU-UHFFFAOYSA-N 366.180 0.412 0 40 FCAB CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O 65734872 KLJVHTFKVKHTIN-JTQLQIEISA-N 362.379 0.606 0 40 FCAB in-vitro O=C(Cn1nc2ccccc2n1)NCCn1nnn(-c2cccs2)c1=O 72341053 NOXOAZDDJJXUHK-UHFFFAOYSA-N 370.398 0.052 0 40 FCAB NS(=O)(=O)c1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2)cc1 75161830 ULDUIXYCUHIZBN-UHFFFAOYSA-N 363.399 0.213 0 40 FCAB COC[C@H](O)CN(C)C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 84597172 ZSRSTEIWLLAQKG-CQSZACIVSA-N 358.460 0.795 0 40 FCAB CCn1ccnc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1=O 95459411 VITWVJMHUIIKAF-MRXNPFEDSA-N 370.409 0.752 0 40 FCAB COCC(=O)NCc1cc(=O)n2c(n1)CN(Cc1ccccc1)CCC2 96197625 VUNSTMUUKRQMGN-UHFFFAOYSA-N 356.426 0.912 0 40 FCAB CC(=O)Nc1nnc(S(=O)(=O)NCCCN2CCC(C)CC2)s1 225518125 RZVFPITWGYPMRD-UHFFFAOYSA-N 361.493 0.897 0 40 FCAB CN1CC2(CN(Cc3cccnc3)C2)OC[C@H]1C(=O)NCc1ccco1 248086676 SCCCYLUPWMKMJE-KRWDZBQOSA-N 356.426 0.876 0 40 FCAB COCCN1C(=O)CO[C@H]2CCN(C(=O)Cn3cc(C)cn3)CC[C@@H]21 257225696 FHJFYPHQFZOINJ-GJZGRUSLSA-N 350.419 0.056 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2ccnn2C)CCN1CCc1ccccc1 257239442 HPGROADKUVTXHZ-QGZVFWFLSA-N 355.442 0.535 0 40 FCAB CNC(=O)[C@H]1CN(CC2(O)CCCCCC2)CCN(S(C)(=O)=O)C1 585283390 NZWJRNJCNBTEGC-AWEZNQCLSA-N 361.508 0.011 0 40 FCAB COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)NCc2ccccc2Cn2ccnc2)C1 591903976 WBHPOCMRBIKGAC-IAGOWNOFSA-N 372.425 0.997 0 40 FCAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(Cn3cccn3)on2)C1 644789746 HRDBLYDSUKHSQE-LLVKDONJSA-N 353.404 0.073 0 40 FCAB NCCn1cc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)nn1 662506798 FWBCYVITKDYWMS-AWEZNQCLSA-N 352.402 0.999 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CCO1 681942802 QHLYQEBCJIHZMM-GJZGRUSLSA-N 356.419 0.496 0 40 FCAB O=C1C[C@H](Cc2ccc(C(=O)N3CCC(c4nn[nH]n4)CC3)cc2)C(=O)N1 1174940353 DRYHPFOJLMSIJO-AWEZNQCLSA-N 368.397 0.425 0 40 FCAB COc1cc(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NC(C)C)n43)C2)on1 2055793461 HLOUEHUWFYJGSZ-KRWDZBQOSA-N 374.401 0.601 0 40 FCAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3noc(C)n3)CC2)n1 2087128269 KBNGRANHHMHHAT-UHFFFAOYSA-N 359.434 0.635 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CC(=O)c1ccccc1 801706 RFDWEAVIAMCXKF-UHFFFAOYSA-N 369.381 0.143 0 40 FCAB CC(=O)N[C@H]1[C@@H](OCCc2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 4025520 XTDWBJYOEJCBLM-ZBRFXRBCSA-N 365.426 0.988 0 40 FCAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N2CCN(C)CC2)c1OC 8324948 DTAWOBIAVOGVLM-SNAWJCMRSA-N 370.427 0.738 0 40 FCAB CCOC(=O)c1cnc(SCC(=O)NC(=O)c2cccn2C)nc1N 8779578 MCBWPKZGWGWVPY-UHFFFAOYSA-N 363.399 0.623 0 40 FCAB COCCN1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 8971159 WGFCRLFNEGONIT-MMMWYMCRSA-N 373.384 0.699 0 40 FCAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc(N)nc(N)n2)CC1 11233329 IAVCFGQZOXMJMJ-QMMMGPOBSA-N 354.436 0.318 0 40 FCAB COCCNC(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030085 SBXBARXMFPKXAZ-ZDUSSCGKSA-N 361.441 0.024 0 40 FCAB COC(=O)c1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 12556961 FWFYTFXBQXQOBU-UHFFFAOYSA-N 370.408 0.921 0 40 FCAB CCOC(=O)c1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 18332273 XFYKFABDVMMSNF-UHFFFAOYSA-N 370.427 0.346 0 40 FCAB COCC(=O)NCC1CCN(c2ccc(S(=O)(=O)N(C)C)cc2)CC1 19583856 WOLQRFUXVUBIOF-UHFFFAOYSA-N 369.487 0.916 0 40 FCAB O[C@H]1[C@H](NCC2CC2)[C@H]2CO[C@H](O2)[C@@H]1N1CCN(c2ccccc2)CC1 20463852 PXOUUNNABBKRFO-LTFPLMDUSA-N 359.470 0.661 0 40 FCAB biogenic,in-vitro CNC(=O)NC(=O)[C@H](C)OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 21326432 SLBZRRKPDAABDW-LBPRGKRZSA-N 374.397 0.791 0 40 FCAB O=C(c1ccco1)N1CCN(C(=S)NCCCN2CCOCC2)CC1 21540615 JCCCGTPLJOQIJZ-UHFFFAOYSA-N 366.487 0.634 0 40 FCAB NC(=O)NCCC[C@@H](NC(=O)Cn1ccc2ccc(F)cc21)C(=O)O 32073822 CZTTXLRKGQRCMB-GFCCVEGCSA-N 350.350 0.798 0 40 FCAB Cc1cccc(NC(=O)CNC(=O)Cn2nnc3ccccc3c2=O)n1 36357620 NESQSQQZKIYHAN-UHFFFAOYSA-N 352.354 0.250 0 40 FCAB CN1CCN(C[C@H](CC(=O)Nc2cccc3nsnc23)C(=O)O)CC1 72405842 XCINGTBWSIUPDM-NSHDSACASA-N 363.443 0.968 0 40 FCAB COc1ccc(S(=O)(=O)N2CC[C@@H](C)C2)cc1[C@@]1(C)NC(=O)NC1=O 75582104 SBZOJDPCZNXZFQ-QLJPJBMISA-N 367.427 0.780 0 40 FCAB C[C@H](CNS(=O)(=O)c1ccc2c(c1)ncn2C)CN1CCN(C)CC1 79111071 XGUZITXOQOUCRQ-CQSZACIVSA-N 365.503 0.735 0 40 FCAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCC(N)=O)c2)C1 89920270 YMYLGTQCTQVHJE-VXGBXAGGSA-N 353.444 0.568 0 40 FCAB O=C(COC[C@@H]1CN(c2ncccn2)Cc2cncn2C1)N1CCCC1 96216454 XSOKVBROBDKISE-OAHLLOKOSA-N 356.430 0.949 0 40 FCAB Cc1ccc(NC(=S)N(C[C@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1 575419988 CCBUIANMVMELMD-KGLIPLIRSA-N 358.485 0.534 0 40 FCAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)[C@@]1(C)CCS(=O)(=O)C1 575426780 ZTGWKCRVEKVCCT-AWEZNQCLSA-N 361.441 0.891 0 40 FCAB Cc1ncn(CC(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)c(=O)c1C 575609249 SFXPQLOSAHHTQP-UHFFFAOYSA-N 368.441 0.876 0 40 FCAB O=C(c1cccc(O)c1)N1CCN(c2cncc(-n3cncn3)n2)CC1 608082162 PTLNTMKLHBLSJG-UHFFFAOYSA-N 351.370 0.725 0 40 FCAB CN(C)C(=O)NCc1ncn2c1CN(C(=O)c1cccc(=O)n1C)CCC2 2055718049 YDHLOQXEZYDJQM-UHFFFAOYSA-N 372.429 0.399 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3ccc(F)cc3)C2=O)C1 5023908 HUMQQDYESBDLDB-QGZVFWFLSA-N 361.329 0.999 0 40 FCAB O=C(COC(=O)CNC(=O)c1ccco1)NCc1ccc2c(c1)OCO2 5937652 GDGQKTUMBAFYJH-UHFFFAOYSA-N 360.322 0.598 0 40 FCAB CC(C)N(CC(N)=O)CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 8718923 ULCXLGLABUCNIE-UHFFFAOYSA-N 356.448 0.071 0 40 FCAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 8751320 BRPFPXQPHKTJOL-BDAKNGLRSA-N 361.445 0.342 0 40 FCAB COCC(=O)NCCn1ncc2c(N3CCCC3)nc(SC)nc21 8946400 TXAJAPFYPWDRST-UHFFFAOYSA-N 350.448 0.911 0 40 FCAB C[C@@H](CCc1ccco1)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 9112506 MQKSIPUPBFPKGL-LBPRGKRZSA-N 373.413 0.554 0 40 FCAB CC(=O)Nc1cccc(-n2cnnc2SCC(=O)N2CCNC2=O)c1 12546190 XOWBHKGZDGSYTQ-UHFFFAOYSA-N 360.399 0.870 0 40 FCAB O=C(COCc1nc2ccccc2c(=O)[nH]1)NCCNC(=O)c1ccco1 12736183 ZFCGAAMRBSGFTN-UHFFFAOYSA-N 370.365 0.579 0 40 FCAB Cn1cnc2c1c(=O)n(CCCOC(=O)c1cc(Cl)c[nH]1)c(=O)n2C 25198820 PTWBYHKOMKVQKK-UHFFFAOYSA-N 365.777 0.662 0 40 FCAB CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 35898161 SKPXLYIJNUECJT-XQHKEYJVSA-N 354.384 0.411 0 40 FCAB CS(=O)(=O)N[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 42108459 YIDGRTHEUMZMTK-MRVPVSSYSA-N 364.353 0.661 0 40 FCAB COC(=O)CCNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 58291653 DKILCOZWYIECCI-CABCVRRESA-N 371.393 0.940 0 40 FCAB C[C@H]1Oc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2NC1=O 71542777 PUWFWRRABVNSRR-LLVKDONJSA-N 355.416 0.017 0 40 FCAB CCOC(=O)N1CCN(C(=O)[C@@H]2CSc3nccc(=O)n3C2)CC1 85473935 NDEIHLGKRBIKRB-NSHDSACASA-N 352.416 0.266 0 40 FCAB CC(C)Cn1ccnc(N2CC(S(=O)(=O)NC3CCCC3)C2)c1=O 96005026 PQZDOZVQTLTNLL-UHFFFAOYSA-N 354.476 0.950 0 40 FCAB Cc1cccc(C(=O)N2CCC3(CC2)CCN(CC(=O)N(C)C)C3=O)n1 96046858 JXZRHKZXXNTFKO-UHFFFAOYSA-N 358.442 0.933 0 40 FCAB O=S(=O)(NC[C@H](O)CN1CCOCC1)c1ccc(C(F)(F)F)cc1 97008382 RZVIVJQPEYHYOK-LBPRGKRZSA-N 368.377 0.677 0 40 FCAB COCCN1C(=O)CO[C@H]2CN(C(=O)CCc3c(C)noc3C)C[C@@H]21 257299664 RQZQTJBRXYGHEZ-GJZGRUSLSA-N 351.403 0.309 0 40 FCAB O=C(CCn1cnc2ccccc21)N1CC[C@@](O)(CN2CCOCC2)C1 257320619 VXOXBBUIXHJGSX-LJQANCHMSA-N 358.442 0.722 0 40 FCAB Cc1cc(CN2C[C@H]3OC[C@H](CNS(=O)(=O)C4CC4)[C@H]3C2)n(C)n1 306136276 POLTUSCVVJOAPG-APHBMKBZSA-N 354.476 0.257 0 40 FCAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCO)c(Cl)c1 408529587 IPKOJRKEHCDCFY-UHFFFAOYSA-N 364.851 0.906 0 40 FCAB CCCS(=O)(=O)N1CCn2cc(CC(=O)NCCOC)nc2[C@@H]1C 585097939 PNMFWWQREZQKTQ-LBPRGKRZSA-N 358.464 0.305 0 40 FCAB CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C(C)C)cn1 644171238 REHLFFWFMQLCHZ-ZDUSSCGKSA-N 353.444 0.580 0 40 FCAB CN1CC(=O)N(CCN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)C1=O 660909907 RDNLIWOOGANVKV-MRXNPFEDSA-N 356.426 0.586 0 40 FCAB O=C(OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1)c1ccc(O)cc1 5456060 HARJOTRNTZLMNQ-CYBMUJFWSA-N 353.396 0.727 0 40 FCAB O=C(NCC(=O)N1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCO2 8187358 MUXAOLCJUMYRQD-UHFFFAOYSA-N 368.393 0.889 0 40 FCAB CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)C1=O 8206864 IRPJQEZPSXXBKZ-UHFFFAOYSA-N 362.361 0.285 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)NC2CC2)cc1 8650684 CVYFKXXSEBRVEM-LBPRGKRZSA-N 354.428 0.826 0 40 FCAB CC(=O)CCc1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 15326431 INIGGNMAZFGMHK-UHFFFAOYSA-N 366.395 0.373 0 40 FCAB CC1CCN(CC(=O)Nc2cnn(CC(=O)NC[C@@H]3CCCO3)c2)CC1 19746381 FDKDNCPBGKRGDO-INIZCTEOSA-N 363.462 0.849 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 23111195 CBCBKWYTPSGYKY-GXTWGEPZSA-N 372.468 0.143 0 40 FCAB COc1ccc(NC(=O)CN2CCO[C@H](C)C2)cc1S(=O)(=O)N(C)C 24528796 IQQRQEQBOVBASX-GFCCVEGCSA-N 371.459 0.605 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2COc3ccccc3O2)CC1 26280919 NMJHCAPLPCNMHJ-CYBMUJFWSA-N 369.443 0.550 0 40 FCAB NC(=O)C1CCN(C(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)CC1 32092363 GMMHTMHHIKEJCD-AWEZNQCLSA-N 358.398 0.891 0 40 FCAB C[C@H]1NC(C(=O)N2CCC(C(=O)N(C)C)CC2)=NN(c2ccccc2)C1=O 45017893 BXFSOAUCBBTPAP-CYBMUJFWSA-N 371.441 0.652 0 40 FCAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(C)CC(=O)N(C)C 58202650 ZVKAPRMHIZAUIJ-UHFFFAOYSA-N 353.444 0.831 0 40 FCAB O=C(CCN1CCN(CCO)CC1)Nc1ccc(Cn2cncn2)cc1 72402844 RADGYGJHCYEZPA-UHFFFAOYSA-N 358.446 0.265 0 40 FCAB CS(=O)(=O)C[C@@H](NC(=O)NCCN1CCOCC1)c1ccccc1 89484171 UZYLMLCEYBUULL-OAHLLOKOSA-N 355.460 0.404 0 40 FCAB Cc1cn2c(=O)c(C(=O)NCC(=O)N(C)CC(F)(F)F)cnc2s1 95459238 DVEOHABCYJACLC-UHFFFAOYSA-N 362.333 0.815 0 40 FCAB Cc1cc(C)cc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)c1 222661545 WCUQMGZYRYNSPW-UHFFFAOYSA-N 359.382 0.673 0 40 FCAB Cc1c(CCC(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)cnn1C 257253430 JYXUCHQHSGKVCC-GOSISDBHSA-N 358.446 0.599 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CCn2c(=O)oc3ccc(C)cc32)CCN1C 257293134 QOHCCZYKXJXLJG-AWEZNQCLSA-N 360.414 0.182 0 40 FCAB CN(C)CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@@H]1C2 306138970 SLYHQMJZOCCKOW-LSDHHAIUSA-N 374.514 0.935 0 40 FCAB Cc1ccc(Cl)cc1S(=O)(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 575426506 UPFLXFRIKPEIHY-LBPRGKRZSA-N 367.876 0.819 0 40 FCAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2cnc(N(C)C)nc2)C1 626456763 POSQNOOIAOEQIL-NSHDSACASA-N 356.452 0.336 0 40 FCAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1nc(CO)cs1 683352213 DKTAQBZBFZOPAT-UHFFFAOYSA-N 352.416 0.506 0 40 FCAB O=C(C1CC(F)(F)C1)N1CCOC[C@]2(C[C@@H](Cn3cnnc3)CO2)C1 1565549435 XAXKBLZAUOVFLY-WFASDCNBSA-N 356.373 0.958 0 40 FCAB O=C(CCc1ccc(O)nn1)N1CCCN(C(=O)c2cscn2)CC1 1772707934 ZGKVMEGDPLAELQ-UHFFFAOYSA-N 361.427 0.946 0 40 FCAB CCS(=O)(=O)N1CCN(C(C)=O)C[C@@H](Cc2cn3ccnc3cn2)C1 2037838295 BEMLOYNFIDZZBO-CQSZACIVSA-N 365.459 0.402 0 40 FCAB C[C@@H]1CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C[C@@H](C)O1 5272542 AGIDIQZHKUADQV-VXGBXAGGSA-N 352.412 0.857 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCN1CCCCC1 5396491 UTAYHFMMJANAKC-UHFFFAOYSA-N 356.224 0.672 0 40 FCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1N(C)S(C)(=O)=O 5554055 PYTRYQJYBNTCKU-UHFFFAOYSA-N 364.445 0.112 0 40 FCAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 10204935 GPRDYUUICMPOHW-UHFFFAOYSA-N 359.426 0.447 0 40 FCAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)[C@@H]3CC(=O)N(C)C3)nc12 12146365 QYFMZPVGADSEOT-CQSZACIVSA-N 367.409 0.552 0 40 FCAB O=C(CN1CCN(c2ccccc2F)CC1)N[C@H]1CCS(=O)(=O)C1 12594729 VBGNJHQHERYMTA-ZDUSSCGKSA-N 355.435 0.251 0 40 FCAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 29191688 VZILEQJUBNVJLE-OAHLLOKOSA-N 368.455 0.981 0 40 FCAB COCCn1cnnc1S(=O)(=O)CC(=O)Nc1ccc(Cl)cc1 40152211 ZSRSFWOQDXHIPX-UHFFFAOYSA-N 358.807 0.990 0 40 FCAB NC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 58194704 UDXZNYPLVJEJES-MRXNPFEDSA-N 373.434 0.865 0 40 FCAB CCCCN1CCC(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 84744454 IDCKEBNVIUECGI-UHFFFAOYSA-N 364.494 0.764 0 40 FCAB CSc1n[nH]c(N/C(C)=C(\CCO)C(=O)n2nc(SC)nc2N)n1 100135241 JTLKAQSYIOVHNZ-VOTSOKGWSA-N 370.464 0.831 0 40 FCAB COC(=O)C1=C(C(=O)OC)[C@H]2C=C[C@H]1[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]21 102911971 PZQQPXJMBSEPSV-HXFZERJQSA-N 364.350 0.554 0 40 FCAB CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C[C@H]1C(N)=O 257216759 CVXVAGZKUPDQCF-NSHDSACASA-N 358.320 0.567 0 40 FCAB Cc1cn([C@@H]2CN(C(=O)c3cscn3)CC[C@@]2(C)O)c(O)nc1=O 257224730 FDBORIKEMUVHOB-IAQYHMDHSA-N 350.400 0.552 0 40 FCAB COc1ccc(C(=O)NCCO)cc1S(=O)(=O)N1CCCCCC1 298243408 QBVRTCYKNOELLR-UHFFFAOYSA-N 356.444 0.982 0 40 FCAB O=C(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccnnc1 306136911 QGKXENNGVMSFLW-MRXNPFEDSA-N 370.457 0.962 0 40 FCAB CO[C@@H](CS(=O)(=O)Nc1cn(C)nc1C(N)=O)c1ccc(F)cc1 530137675 JZYLAGUSWGWWLZ-LBPRGKRZSA-N 356.379 0.788 0 40 FCAB CC(=O)N1CCCN(C)CCN(C(=O)Cn2cncn2)Cc2ccccc21 643554296 OXYMPSATIOIPEY-UHFFFAOYSA-N 370.457 0.995 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 681944069 SCGWAKJFPFLNDK-QGZVFWFLSA-N 360.410 0.949 0 40 FCAB O=C(CN1CCN(c2nccc(N3CCCC3)n2)CC1)N1CCOCC1 730106756 QQWKSFQCWLCSHZ-UHFFFAOYSA-N 360.462 0.058 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565545628 JJLBMFGIFHJOBQ-UHFFFAOYSA-N 366.443 0.257 0 40 FCAB CN(C)CCOC[C@@H]1CN(C(=O)CC2(O)CCC2)Cc2nnn(C)c21 1614937767 JSCPMSDZLRMUSZ-ZDUSSCGKSA-N 351.451 0.124 0 40 FCAB CCN1CCN(C(=O)NC[C@]2(O)CCCc3sccc32)C(=O)C1=O 1889119498 ZRSMJHZBWTZTDK-MRXNPFEDSA-N 351.428 0.672 0 40 FCAB COC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1 4061350 OHNIIIZUDRPZJX-UHFFFAOYSA-N 373.394 0.500 0 40 FCAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)N1CCOCC1 4853600 DIWXIGDNLGWAKX-UHFFFAOYSA-N 359.404 0.888 0 40 FCAB COc1ccc2nc(NCCNCCO)cc(NCCNCCO)c2c1 5552028 IFLOLIBEFZIMKW-UHFFFAOYSA-N 363.462 0.231 0 40 FCAB O=C(O[C@H]1CCOC1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 6627981 ZHHAKWORJHSIFY-AWEZNQCLSA-N 353.396 0.946 0 40 FCAB Cc1cc(C)cc(C(=O)NCCC(=O)NCc2cc(=O)n(C)c(=O)n2C)c1 6755185 QDPVTIMGDNTHOZ-UHFFFAOYSA-N 372.425 0.137 0 40 FCAB CNC(=O)[C@H]1CN(CC(=O)Nc2sccc2C(N)=O)c2ccccc2O1 7253855 SNYDMSLITUZSDN-CYBMUJFWSA-N 374.422 0.799 0 40 FCAB CCOCC(=O)OCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 7606196 GLWFUVCXDUWMFE-UHFFFAOYSA-N 353.327 0.778 0 40 FCAB Cn1c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nnc1C1CC1 8133490 LKYWUXQYWOMVSQ-UHFFFAOYSA-N 362.415 0.435 0 40 FCAB CS(=O)(=O)NC1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1 11449250 SAVJIODOLMZCBL-UHFFFAOYSA-N 369.468 0.885 0 40 FCAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NCc2ccco2)N(C)S(=O)(=O)N1 12131382 ROWKWYLWSISUJF-UONOGXRCSA-N 367.431 0.218 0 40 FCAB COc1cccc([C@H]2C3=C(COC3=O)Nc3c2c(=O)[nH]c(=O)n3C)c1OC 16047707 CYSUEJRRYVWPKJ-NSHDSACASA-N 371.349 0.459 0 40 FCAB Cc1cnn(CC(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)c1 19239939 HKJLGOWHGIEIOC-OAHLLOKOSA-N 356.430 0.839 0 40 FCAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 22968688 GVNZQIVTOVWLMP-ZBFHGGJFSA-N 370.446 0.750 0 40 FCAB CC(C)CNC(=O)CC[C@@H]1NC(=O)[C@@H](CCC(=O)NCC(C)C)NC1=O 32922281 VKEQLKHEUZREOA-OKILXGFUSA-N 368.478 0.074 0 40 FCAB Cc1nc(CN(Cc2ccccc2)S(C)(=O)=O)[nH]c(=O)c1CC(=O)O 49468709 HZZUUAJZXFMKCH-UHFFFAOYSA-N 365.411 0.667 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 53324560 AMOSFFGIAKCGFI-GFCCVEGCSA-N 358.847 0.995 0 40 FCAB Cc1nnc(N2CC[C@H]3C[C@H](C(=O)N4CCN(C)CC4)O[C@@H]3C2)s1 96042717 YPAVJYOFAXWFTD-BFHYXJOUSA-N 351.476 0.604 0 40 FCAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222891819 GLKRINSIVIXKDT-LLVKDONJSA-N 359.423 0.180 0 40 FCAB Cc1ncn(CC(=O)N2CC[C@H](Oc3cncc(N(C)C)n3)C2)c(=O)c1C 225403591 CRTSNDKEMJAXLM-AWEZNQCLSA-N 372.429 0.396 0 40 FCAB CC(C)C(=O)N[C@H]1CCN(C(=O)Cn2nnc3ccccc32)CC[C@@H]1O 257326970 WZHSZCKQRUIOHS-HOCLYGCPSA-N 359.430 0.555 0 40 FCAB O=C(NC[C@H](N1CCNCC1)C(F)(F)F)c1ccc2c(c1)CCNCC2 261695887 BEMKLPWQIVRQIZ-INIZCTEOSA-N 370.419 0.941 0 40 FCAB CC(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)O 274958033 HGRYEQCWRFYTPG-NSHDSACASA-N 355.416 0.512 0 40 FCAB CNC(=O)C[C@H]1CN(S(=O)(=O)c2ccccc2F)Cc2ccnn21 585111631 DRLSHZXYGDZVGG-LBPRGKRZSA-N 352.391 0.904 0 40 FCAB CSC[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 595238874 ZUJKEIPRVLFHOW-JTQLQIEISA-N 354.432 0.995 0 40 FCAB C[C@@]1(C2CCN(C(=O)[C@H](C(=O)O)C3CCCC3)CC2)NC(=O)NC1=O 663061324 GRIHWJQQJCBPQT-PXAZEXFGSA-N 351.403 0.714 0 40 FCAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)NCc1ccco1 1547201300 YFZARGPJTCSNQM-UHFFFAOYSA-N 353.338 0.943 0 40 FCAB CCc1ccc(C(=O)N2C[C@H]3ON=C(C(=O)N4CCOCC4)[C@H]3C2)cn1 1565545434 IGUHRBNDDLAJNO-LSDHHAIUSA-N 358.398 0.330 0 40 FCAB CN1C(=O)c2cccnc2C12CCN(C(=O)c1cccn(C)c1=O)CC2 1565551279 CCQQIJZKXPUADN-UHFFFAOYSA-N 352.394 0.997 0 40 FCAB CCOCC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(OC)n(C)n2)C1 1615057748 IMCNPPHPFVOIJB-ZFWWWQNUSA-N 364.446 0.918 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)N1C[C@@H]2CN(c3cnccn3)C[C@H]2C1 1888913829 PXAXUFTZYROEKY-KBPBESRZSA-N 365.393 0.979 0 40 FCAB COc1ccccc1NC(=O)[C@@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C 6654266 APAIGCSTXWTJOR-SNVBAGLBSA-N 357.370 0.642 0 40 FCAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 8935783 BITNWPPXDNSVGD-LBPRGKRZSA-N 366.468 0.846 0 40 FCAB CN(C)C(=O)CN1C(=S)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]21 9422010 IZXKEFFVCSWISA-CHWSQXEVSA-N 353.469 0.347 0 40 FCAB Cc1ccc(C2(O)CCN(CCNC(=O)C3=NNC(=O)CC3)CC2)cc1 12326447 DYGSJDUUUWWPLT-UHFFFAOYSA-N 358.442 0.661 0 40 FCAB O=C(NC[C@H]1CCC[C@H](CNC(=O)N2CCOCC2)C1)N1CCOCC1 19075342 GQWQNUBHGHAWOG-HOTGVXAUSA-N 368.478 0.876 0 40 FCAB CCOc1ccc(NC(=O)[C@@H](C)N2CCN(S(C)(=O)=O)CC2)cc1 24509386 HOFNOSPYFDEMRI-CYBMUJFWSA-N 355.460 0.990 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CNC(=O)Cc1ccccc1 24675107 HFXCDWDTEIUUDA-OAHLLOKOSA-N 367.471 0.276 0 40 FCAB Cn1ncc2c(N3CCN(C[C@@H](O)COCc4ccco4)CC3)ncnc21 25307468 IWZOEQQBUXHQGS-CQSZACIVSA-N 372.429 0.656 0 40 FCAB COCCn1nc(C(=O)NCCCN(C)CC(F)(F)F)ccc1=O 40107500 PBLNESCQQYWSBX-UHFFFAOYSA-N 350.341 0.504 0 40 FCAB CCOC(=O)N[C@H]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)C1 40118631 KAHJUZSJIOWLHF-ZDUSSCGKSA-N 373.413 0.919 0 40 FCAB C[C@](O)(CNC(=O)NCc1ccc2c(c1)OCO2)CN1CCOCC1 72302915 FUMHSKNXKJNBFL-KRWDZBQOSA-N 351.403 0.298 0 40 FCAB Cc1nc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)n[nH]1 95460969 HYOKKUVAFHUXFZ-UHFFFAOYSA-N 356.383 0.824 0 40 FCAB Cn1cc(CN2CCOC[C@@]3(C2)CN(c2ccccn2)C(=O)CO3)cn1 96051364 OBZDLYFOWDLEDO-GOSISDBHSA-N 357.414 0.450 0 40 FCAB O=C(c1cnccn1)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96074867 AYSQLDNWSGMVII-QGZVFWFLSA-N 358.377 0.917 0 40 FCAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCc1c[nH]cn1 96222858 TVQRGDHCVDBJIG-HNNXBMFYSA-N 355.398 0.622 0 40 FCAB biogenic O=C(c1n[nH]c2c1CCCCC2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 96232649 IQMNGZUKMORGQX-CYBMUJFWSA-N 366.487 0.624 0 40 FCAB NC(=O)c1c(SCC(=O)Nc2nnc[nH]2)sc2c(O)cc(=O)[nH]c12 101687340 LCVMLKORPAHVTR-UHFFFAOYSA-N 366.384 0.243 0 40 FCAB O=c1c(NCCOCCO)c(N2CCN(Cc3ccccc3)CC2)c1=O 101703309 XMVQCGNSLCEEEX-UHFFFAOYSA-N 359.426 0.026 0 40 FCAB Cc1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2cnccn2)n(C)n1 306144939 ZSUXWRRSFQGFCT-HNNXBMFYSA-N 370.457 0.930 0 40 FCAB Cc1ccc(NC(=S)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575420084 FKDNJCHNMKWSMV-VXGBXAGGSA-N 358.441 0.236 0 40 FCAB O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNC2CCCC2)C1 585282880 IUEYLFSXFCTNEH-DLBZAZTESA-N 354.472 0.705 0 40 FCAB CN(C)S(=O)(=O)N1CCN(Cc2cc(C(=O)O)ccc2Cl)CC1 656760785 HTJJOOFCYCYBAZ-UHFFFAOYSA-N 361.851 0.962 0 40 FCAB COc1cc(OC)nc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)n1 1888881857 RRAJSNOYLXNFJC-UHFFFAOYSA-N 368.401 0.796 0 40 FCAB Cc1nc(N2CCCC2)cc(N2CCN(c3nccn(C)c3=O)CC2)n1 1889078020 OHYNIXWKKMFAMK-UHFFFAOYSA-N 355.446 0.806 0 40 FCAB COc1ccnc(N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)n1 1889098725 YHKHIKLRSLRHJL-UHFFFAOYSA-N 371.445 0.747 0 40 FCAB CC(=O)N[C@H]1CC2(CCN(C3CCN(C(C)=O)CC3)CC2)OC[C@]1(C)O 2037849815 OHAANBSSHDSBFO-ROUUACIJSA-N 367.490 0.508 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2135911 REYQDTRJCUBUEH-INIZCTEOSA-N 367.361 0.914 0 40 FCAB biogenic Cn1c(=O)[nH]c(=O)c2c1nc(NCCCN)n2CCCOc1ccccc1 4318027 DKNBLJVHVOKTGH-UHFFFAOYSA-N 372.429 0.653 0 40 FCAB CCOC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 4569285 VINRWHXTUBWKBZ-CYBMUJFWSA-N 354.428 0.827 0 40 FCAB Cn1cc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(=O)n(C)c1=O 8746158 MGBHYUAZEAAFBE-YNEHKIRRSA-N 355.460 0.721 0 40 FCAB CO[C@@H]1[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)O[C@H](CO)[C@H]1O 13831216 JAKAFSGZUXCHLF-CVGURMSBSA-N 363.418 0.837 0 40 FCAB C[C@H](C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1)N1CCCC1=O 19078099 COXCHCXFULHFCE-CYBMUJFWSA-N 357.458 0.839 0 40 FCAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CC3)[nH]c(=O)c2C1 19592881 SEZJSAVRLBYQGG-HNNXBMFYSA-N 374.441 0.765 0 40 FCAB c1ccc2c(c1)nc1n2CN(n2cnnc2)CN1CCCN1CCOCC1 20637202 UZYUKUCALFNFBW-UHFFFAOYSA-N 368.445 0.723 0 40 FCAB CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NCc2cccs2)C1=O 23877008 CCMYVFVPAMBIAE-HNNXBMFYSA-N 353.400 0.628 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(Br)o2)CC1 25206121 LDYXINAPWGBILP-UHFFFAOYSA-N 366.237 0.606 0 40 FCAB CCCS(=O)(=O)NC1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 27054696 RIIHSQLTWCTZOK-UHFFFAOYSA-N 351.432 0.892 0 40 FCAB CCc1nnc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)s1 28975673 HOSJUDGWGUWJNX-BDAKNGLRSA-N 358.445 0.075 0 40 FCAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)s1 31874901 PNVKZAYWQAXHPU-UHFFFAOYSA-N 372.428 0.967 0 40 FCAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCc1ccc(F)cc1 36359127 SZKNVBRLQQKONT-GWCFXTLKSA-N 357.407 0.317 0 40 FCAB Cn1ncc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1-n1cccc1 40122634 MWVHXNVVMYUOPV-ZDUSSCGKSA-N 365.459 0.612 0 40 FCAB Cc1ccc(OCCN(C)CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 45352251 IRXIAUXIUGVHLN-OAHLLOKOSA-N 354.472 0.951 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 47636012 KYPNXFPTFKHKNE-NVXWUHKLSA-N 350.463 0.433 0 40 FCAB COC[C@H](O)CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1C 89591272 UVGIZLJBXBKBBQ-CQSZACIVSA-N 356.444 0.750 0 40 FCAB CCN1C(=O)[C@H]2CN(CC(C)C)C[C@H]2C12CCN(S(C)(=O)=O)CC2 96143608 XCWCPMKVTBPJOQ-LSDHHAIUSA-N 357.520 0.847 0 40 FCAB O=C(CN1CCOC1=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220871319 AUXAOTVPOVCKJN-LBPRGKRZSA-N 372.385 0.760 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cnc(-c3ccnn3C)cn2)C1 257201434 AHSBWRQDQDJIGN-CYBMUJFWSA-N 364.475 0.938 0 40 FCAB C[C@H](C(=O)N(C)CCc1nccs1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 269946742 WVSGIKWAAMTJHX-AFCCXKIYSA-N 363.439 0.695 0 40 FCAB CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)[C@@H]2CC3CCC2CC3)nn1 408497230 RERCBQSOKLIIHQ-GCZXYKMCSA-N 369.447 0.005 0 40 FCAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCO)c(Cl)c1 408527341 DGTNOLCLXANNHL-UHFFFAOYSA-N 350.824 0.516 0 40 FCAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(CN2C(=O)COC2=O)C1 575616744 OSZAKKSDBQSSHD-SNVBAGLBSA-N 362.338 0.620 0 40 FCAB CCn1cc(O[C@@H]2CN(C(=O)CCn3cc(Cl)cn3)C[C@H]2O)cn1 628246240 DVXUPEWGUHCADL-ZIAGYGMSSA-N 353.810 0.794 0 40 FCAB CN(C)C(=O)N1CCN(C(=O)CCc2ccc[nH]2)C[C@]2(CNC(=O)C2)C1 1565554519 UBOWOTIOGJNFFV-SFHVURJKSA-N 361.446 0.279 0 40 FCAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2cnn(C)c2C)CC1 2055708086 FXRHZMVFUNXDNH-UHFFFAOYSA-N 360.462 0.679 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 4104548 KCTUGKGYNYCRST-YPMHNXCESA-N 363.757 0.979 0 40 FCAB O=C(Nc1nccs1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 8298377 SFPGEGRAOLONHQ-BNOWGMLFSA-N 362.459 0.619 0 40 FCAB biogenic,in-vitro O=C(NCc1ccncc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 9060858 PSIXPIXTNQGEJE-UHFFFAOYSA-N 368.393 0.809 0 40 FCAB CCOC(=O)N1CCN(C(=O)CNc2nc(Cl)nc3[nH]cnc23)CC1 13569140 IOPUKQQDJHUNHQ-UHFFFAOYSA-N 367.797 0.719 0 40 FCAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N)nc(N)c32)cc1 13570319 LLMYNFPKHJQGIX-JTQLQIEISA-N 370.369 0.882 0 40 FCAB CCN1CCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)CC1 13692054 KDEDOGVVDFPZSQ-UHFFFAOYSA-N 356.426 0.886 0 40 FCAB COC(=O)c1ccccc1NC(=O)Cn1nc2[nH]c(=O)c(C)nn2c1=S 16778198 LCFNGVNQCGEFNQ-UHFFFAOYSA-N 374.382 0.682 0 40 FCAB COC[C@H](O)CN1CCN(C(=O)c2nnn(-c3ccccc3)c2C)CC1 19557768 DMBAYHCHNSJUER-MRXNPFEDSA-N 359.430 0.341 0 40 FCAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 28209442 YUFOYTUWBKYVLP-ZFWWWQNUSA-N 366.439 0.970 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)NC2(c3ccccc3)CCC2)n(C)c1=O 40015878 WGKVYIJYWBPCOA-UHFFFAOYSA-N 367.409 0.629 0 40 FCAB CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CN2CCOCC2)cc1 40110376 SRBBQWYQNZHDLL-CYBMUJFWSA-N 355.460 0.435 0 40 FCAB C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1ccccc1S(C)(=O)=O 41739128 SAKZQYHYHVGYQS-LLVKDONJSA-N 350.400 0.430 0 40 FCAB CS(=O)(=O)c1cccc(NCC(=O)NC(=O)NCC(F)(F)F)c1 55009439 LUWPLRJXHYFLSZ-UHFFFAOYSA-N 353.322 0.890 0 40 FCAB C[C@H]1NC(C(=O)NCCNc2ncccn2)=NN(c2ccccc2)C1=O 57060733 DZAPAEQSUHAEGK-GFCCVEGCSA-N 353.386 0.343 0 40 FCAB CCN(CC)C(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520425 XZADKRWLJQGPIG-UHFFFAOYSA-N 365.459 0.625 0 40 FCAB CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)C3CCCC3)[C@H]2O)CC1 77264018 BNMWKFNJPCNQSO-ZACQAIPSSA-N 353.463 0.022 0 40 FCAB biogenic,in-vitro CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(S(C)(=O)=O)C[C@H]2O1 96042807 AKBNABUCLPMFMQ-NWANDNLSSA-N 353.444 0.479 0 40 FCAB Cn1cc(N2C[C@]3(COCCN(Cc4nccs4)C3)OCC2=O)cn1 96051426 DUGIRIYCCNDWOU-MRXNPFEDSA-N 363.443 0.511 0 40 FCAB O=C(N[C@H]1CCSC1=O)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124178 HRRHVEYIVSSQJT-LBPRGKRZSA-N 373.442 0.422 0 40 FCAB C[C@H](C(=O)N1CCc2ccccc2C1)N1CCN(CC(=O)NC2CC2)CC1 96908296 FGFIBPJOGFFAED-MRXNPFEDSA-N 370.497 0.856 0 40 FCAB O=C1OCc2cc(-n3nnn([C@@H]4CC(=O)[C@H]5OC[C@H]4O5)c3=S)ccc21 106883767 NMHXDOROZZALPA-QKCSRTOESA-N 360.351 0.724 0 40 FCAB CC(=O)c1ccc(CCNC(=O)N2CCN(S(C)(=O)=O)C2=O)s1 225672996 YDQAQQJEGHNRCU-UHFFFAOYSA-N 359.429 0.900 0 40 FCAB CN1CCN(S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(F)c2)CC1 226686927 NXIMEESJFHGWSE-UHFFFAOYSA-N 359.423 0.229 0 40 FCAB O=C(O)c1nn(-c2ccccc2Cl)nc1N1CCN(CCO)CC1 256046786 IBFRPIKCTYWHPU-UHFFFAOYSA-N 351.794 0.733 0 40 FCAB CC(C)Cc1cc(C(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)n(C)n1 257230426 GCGQWFYVTHEFOH-SFHVURJKSA-N 358.446 0.780 0 40 FCAB CCCn1nc(C)c(C(=O)N2CC[C@](O)(CN3CCOCC3)C2)c1C 257242155 IBIDRFGYCGOBCD-SFHVURJKSA-N 350.463 0.819 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)N1CCOC[C@@H](Cc2ccncn2)C1 257334316 YFKDNTOKULKVGV-ZDUSSCGKSA-N 351.432 0.398 0 40 FCAB O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CCN(Cc3cccnc3)C1)C2 306133271 MHAPKLCSXLBMDO-IBGZPJMESA-N 369.425 0.385 0 40 FCAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](n2cnc(C(N)=O)n2)C1 330359205 VTUUNMPFZAAURG-DZGCQCFKSA-N 368.441 0.992 0 40 FCAB CC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)[C@H](C)CO1 650699592 FFWOJWIHEDHTKO-YPMHNXCESA-N 370.427 0.689 0 40 FCAB COc1cc(C(=O)N2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)on1 1565550387 BNTIRSXRUSJLOI-STQMWFEESA-N 373.369 0.229 0 40 FCAB O=C(c1ccc(O)nn1)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 1565552009 NHKREBHVSBBTFM-YVEFUNNKSA-N 356.386 0.848 0 40 FCAB CC(=O)N1CC2(CCN(C(=O)[C@@H]3CCOC3)CC2)[C@@]2(CCN(C)C2=O)C1 1565556455 JJVDTWXRXUVGTB-BEFAXECRSA-N 363.458 0.342 0 40 FCAB CS(=O)(=O)c1ccc(N2CCO[C@H](C(=O)N3CCOCC3)C2)cc1 1888866311 XNBVQFONBNALHY-HNNXBMFYSA-N 354.428 0.154 0 40 FCAB Cc1cc(=NC(=O)C(=O)NCC2(N3CCSCC3)CCOCC2)[nH]o1 1888909534 RZTJODTXZXLHIN-UHFFFAOYSA-N 368.459 0.058 0 40 FCAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)C1CCN(C(=O)[C@@H]2CCCN2)CC1 4083912 KFXYINNMTCFQKL-IRXDYDNUSA-N 373.453 0.789 0 40 FCAB biogenic CCOC(=O)C1=C(Cn2cc(CO)nn2)NC(=O)N[C@@H]1c1ccccc1 6667133 HBFIVFSZGPHECE-OAHLLOKOSA-N 357.370 0.642 0 40 FCAB CN(C)CCNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6669407 ZXGPZHIXTLBDHT-UHFFFAOYSA-N 368.459 0.315 0 40 FCAB O=C(NCCO)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9047168 ATAKVCBUPBBNGD-SNVBAGLBSA-N 370.456 0.201 0 40 FCAB CCN(CC(=O)NC(C)C)C(=O)COc1cc(OC)ccc1C(N)=O 9053824 MUKSAGVALGYAIT-UHFFFAOYSA-N 351.403 0.546 0 40 FCAB CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CC(=O)OC)n(C)c1=O 10330363 LPETZPAUFHMHOK-SNVBAGLBSA-N 362.390 0.237 0 40 FCAB COC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c1 12975586 CVKZLKJGSVSVPU-UHFFFAOYSA-N 352.412 0.716 0 40 FCAB Cc1ccc(C(=O)NCCn2ccnc2C)c(N2CCN(CCO)CC2)n1 19134563 OTNZMZZGDRZVDM-UHFFFAOYSA-N 372.473 0.439 0 40 FCAB COc1ncc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cn1 19572136 WZPFBCSCVUIDFN-UHFFFAOYSA-N 356.430 0.770 0 40 FCAB O=C(O)CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1 32917134 SUTDBXXWNPEPLB-UHFFFAOYSA-N 353.400 0.628 0 40 FCAB CN1CC(=O)N(CCCC(=O)NCc2ccnc(-n3cccn3)c2)C1=O 48260646 HAKRTLBULQLKPN-UHFFFAOYSA-N 356.386 0.558 0 40 FCAB COc1nn(C)cc1C(=O)N1CCC(C(=O)NCc2ccccn2)CC1 49030479 CBCFCQPYKWLVDI-UHFFFAOYSA-N 357.414 0.992 0 40 FCAB COC(=O)[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccs1 58141643 ITPFYBMZLZVCTN-GFCCVEGCSA-N 360.457 0.750 0 40 FCAB C[C@H](C(=O)N(CCN1CCOCC1)c1ccccc1)N1CCN(C)CC1 95462481 AIKIGQCIKVROGZ-GOSISDBHSA-N 360.502 0.988 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(=O)N(C)C)C2 96036210 ORLQVALKQDXOOD-GOSISDBHSA-N 362.478 0.458 0 40 FCAB COCC(=O)N1CC[C@H]2N(C(C)=O)CC[C@@]2(C(=O)N2CCCC2)CC1 96145268 AYAYQOWIJSBKGW-QAPCUYQASA-N 351.447 0.485 0 40 FCAB Cc1cnc(C(=O)N2CCOC[C@@]3(C[C@@H](Cn4cnnc4)CO3)C2)cn1 96240614 YGWJZSXDUQQSSR-WMLDXEAASA-N 358.402 0.324 0 40 FCAB CCN1CCN(CC(=O)N2CCC[C@@H]2c2ccc(COC)o2)C(=O)C1=O 97147852 CEPQZVBVNNPGCY-CQSZACIVSA-N 363.414 0.780 0 40 FCAB CC(=O)Oc1ccc(N2C(=O)[C@H]3C(c4cn(C)nc4C)=NO[C@H]3C2=O)cc1 101343379 JBKOCJPJGSVWRK-GOEBONIOSA-N 368.349 0.946 0 40 FCAB Cc1cc(C)n(C[C@@H]2CN(C(=O)CS(=O)(=O)C(C)(C)C)CCO2)n1 131302793 FCTLBEZHQCQQBU-AWEZNQCLSA-N 357.476 0.941 0 40 FCAB COc1cc2nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc(N)c2cc1O 206499826 ILQALIJJROIUDL-AWEZNQCLSA-N 373.413 0.754 0 40 FCAB in-vitro COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CCc1ccc(S(C)(=O)=O)cc1 225633024 UASLHFLLQAYVPZ-ZFWWWQNUSA-N 369.439 0.812 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cncc(-c3ccnn3C)n2)C1 257205791 BAOCDUZLRKREON-GFCCVEGCSA-N 350.448 0.548 0 40 FCAB CC1(S(=O)(=O)NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1 408490990 FCJCLGRAFVCIBT-CYBMUJFWSA-N 372.468 0.838 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)NCc2cnn(C)c2)C1 521396673 LMOCRFBUYHVZAW-NFAWXSAZSA-N 354.476 0.734 0 40 FCAB CCc1ccc(S(=O)(=O)NCCN[C@]2(C)CCS(=O)(=O)C2)cc1 575422858 WZLJFPQPCXDUCZ-OAHLLOKOSA-N 360.501 0.694 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NCc2nccnc2-c2ccco2)C1=O 575618907 JPLWNGQVUHOIFX-UHFFFAOYSA-N 365.371 0.643 0 40 FCAB OCCCOc1ccc(CN2CC[C@](O)(CN3CCOCC3)C2)cc1 585269904 POODPDITBOSCTL-IBGZPJMESA-N 350.459 0.717 0 40 FCAB CCN1C(=O)C[C@H](C(=O)NCCn2cnnc2C)[C@H]1c1cnn(C)c1C 668933547 LINYPCPPZBGCFB-BBRMVZONSA-N 359.434 0.354 0 40 FCAB Cn1cc(CN2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@H]3C2)cn1 1549160537 GLLWSAQPRMKQTF-MRXNPFEDSA-N 373.457 0.828 0 40 FCAB O=C(c1ccccc1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@H]2C1 1549162523 RMMFTGYMRRSODI-OAHLLOKOSA-N 355.394 0.954 0 40 FCAB O=C(CCc1cncnc1)N1CC[C@H]2C[C@H](C(=O)N3CCCO3)O[C@@H]2C1 1565551515 RLAZFAQPNJXCJR-ARFHVFGLSA-N 360.414 0.579 0 40 FCAB C[C@H](Cc1ccccc1)C(=O)NC[C@@]1(c2nccn2C)NC(=O)NC1=O 1616035211 RCOACFJQVHOMLH-XIKOKIGWSA-N 355.398 0.450 0 40 FCAB O=S(=O)(N1CCCC1)N1CCN(c2ncnc(C3CC3)c2F)CC1 1888864158 BCYNEKLIARQDHM-UHFFFAOYSA-N 355.439 0.956 0 40 FCAB NC(=O)CCc1ccc([C@H]2CN(c3ncnc4[nH]cnc34)CCO2)nc1 2037844229 PUQUYHLOHSSVBV-CYBMUJFWSA-N 353.386 0.744 0 40 FCAB Cc1ccn(-c2ccc(N3CCN(CC4(O)CCOCC4)CC3)nn2)n1 2087126079 DBYRQYBCNRDKGF-UHFFFAOYSA-N 358.446 0.634 0 40 FCAB CC(C)OC[C@H](O)Cn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 850900 YHYSDMVHGMHSKA-GFCCVEGCSA-N 365.434 0.200 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2200816 HXBAZAGNVYQNJL-HNNXBMFYSA-N 368.349 0.309 0 40 FCAB CCOC(=O)CC(=O)CSc1ccnc2c1c(=O)n(C)c(=O)n2C 4942235 LAUYVXDSTYNEIJ-UHFFFAOYSA-N 351.384 0.247 0 40 FCAB Cc1ccc(C)c(OCCC(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 6034090 XSQOBLXUUXFWFX-AWEZNQCLSA-N 369.439 0.919 0 40 FCAB CC(C)NC(=O)NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 11591142 PZOXZXRPESZAGS-KRWDZBQOSA-N 360.370 0.450 0 40 FCAB COC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O 12612739 SWXBFJSLFVSIJI-ABKXIKBNSA-N 355.341 0.883 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)cc1OC 12892367 VTHUPBDEIKYOJV-UHFFFAOYSA-N 369.443 0.882 0 40 FCAB CCn1nnnc1SCCC(=O)Nc1ccc(S(N)(=O)=O)cc1 14121633 DUAUTBFKKKLKKU-UHFFFAOYSA-N 356.433 0.461 0 40 FCAB CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2ccccc2C)C1=O)C(=O)O 16899567 PFOXNKHGCBRNOT-DGCLKSJQSA-N 350.396 0.949 0 40 FCAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)NCC3(N(C)C)CCN(C)CC3)N2C=C1 19461958 UKCATKAGLNGBIK-IBGZPJMESA-N 373.501 0.992 0 40 FCAB CC1=CC(=C2C(=O)NC(=S)N=C2O)C=C(C)N1CCN1CCNCC1 19681627 VGBFQYSPZBQPBV-UHFFFAOYSA-N 361.471 0.683 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 20566273 RZAJZQDWKRVDQO-BNVDUDBASA-N 357.410 0.690 0 40 FCAB O=C([C@@H]1C[C@H](O)CN1)N1CCN(c2ccc(Br)cn2)CC1 37811364 NBGNNFODCUEHKE-RYUDHWBXSA-N 355.236 0.216 0 40 FCAB CS(=O)(=O)NCCNC(=O)N1CCC(NC(=O)c2ccccc2)CC1 45652173 SWCWFALWIOPHQM-UHFFFAOYSA-N 368.459 0.140 0 40 FCAB O=C1CN(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)CCN1 57383462 HXUSJTXMWACFSL-GFCCVEGCSA-N 370.331 0.725 0 40 FCAB COCCn1cc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cn1 71925695 GHBFLDLJMWIEAS-INIZCTEOSA-N 352.483 0.923 0 40 FCAB COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 95449596 XWYSGWWSJFEMHV-ZDUSSCGKSA-N 357.363 0.132 0 40 FCAB O=C(Nc1ccccc1Cl)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 95981273 COACEOVBEYFNLS-KBPBESRZSA-N 373.862 0.647 0 40 FCAB Cc1nocc1C(=O)N1CCO[C@]2(COCCN(c3ncccn3)C2)C1 96076696 ZTZNIGFXCRSNAU-QGZVFWFLSA-N 359.386 0.521 0 40 FCAB COCCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccnc1)CC[C@H]2OC 96218666 PESUHOCGWCZWFG-ARFHVFGLSA-N 355.460 0.438 0 40 FCAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCC(=O)Nc1ccc(O)cc1 102771655 YVGKMURHPSKYLI-NXKWAJLKSA-N 369.377 0.254 0 40 FCAB COCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 103518230 WGFCRLFNEGONIT-XMDUPGNXSA-N 373.384 0.699 0 40 FCAB O=C(C[C@@H]1C(=O)Nc2ccccc21)NC[C@H]([C@H]1CCOC1)N1CCOCC1 106162248 KRSIHALREXQXQL-QILLFSRXSA-N 373.453 0.966 0 40 FCAB O[C@H]1[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)[C@H](O)[C@H]1OCc1ccccc1 239562534 AWRJNSJYOXKKTK-UYUFYPJLSA-N 360.406 0.614 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)C3CCSCC3)C2)CN1CC1CC1 247979993 XFWJYURGQPXFKE-OAHLLOKOSA-N 367.515 0.567 0 40 FCAB O=S(=O)(c1cn[nH]c1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257218105 DBXGWXYOJYROCK-LBPRGKRZSA-N 350.391 0.266 0 40 FCAB CN(C)C(=O)c1cnn2c([C@H]3CCCN3S(=O)(=O)N(C)C)ccnc12 257263565 LQPGBMTYNASHHG-GFCCVEGCSA-N 366.447 0.374 0 40 FCAB CC(=O)N1CCn2c(C(=O)N3CCN(C)CC3)nnc2[C@@H]1c1ccccc1 306143145 XUMXLEIDDXJVGF-INIZCTEOSA-N 368.441 0.617 0 40 FCAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@]1(OCCO)CCOC1 657086416 LXFQRGIWJPXSFN-CQSZACIVSA-N 365.835 0.795 0 40 FCAB CCc1cc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)ncn1 1888857164 YQMPEIQKCOLFNP-UHFFFAOYSA-N 355.446 0.992 0 40 FCAB CCN1C(=O)c2cccc3c(S(=O)(=O)N(CCO)CCO)ccc1c23 1463319 PLHGPOLQLOWOTI-UHFFFAOYSA-N 364.423 0.795 0 40 FCAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@@H]1CCS(=O)(=O)C1 3350296 FXAURJSAPIFOPX-MRVPVSSYSA-N 372.752 0.824 0 40 FCAB Cn1c(Nc2nnc(Cc3ccc(Cl)cc3)c(O)n2)cc(=O)n(C)c1=O 4225144 JHQOSFBNIZWPTF-UHFFFAOYSA-N 374.788 0.962 0 40 FCAB COc1cccc(N2C[C@H](NC(=O)N3CCC(C(N)=O)CC3)CC2=O)c1 4373405 AKYXGLLFIFYOHT-CYBMUJFWSA-N 360.414 0.707 0 40 FCAB CC[C@@H](C)N(C(=O)CSc1nc(N)cc(N)n1)[C@@H]1CCS(=O)(=O)C1 5229267 LUZTXFJJNGGOEY-NXEZZACHSA-N 373.504 0.547 0 40 FCAB O=C(COC(=O)Cn1ccc(=O)[nH]c1=O)Nc1cccc2ccccc12 5323884 QXFNPTKOPLTFKC-UHFFFAOYSA-N 353.334 0.872 0 40 FCAB CC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 6657645 FMAZUVFRZQWLOX-UHFFFAOYSA-N 355.354 0.275 0 40 FCAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc2c(c1)OCO2 12654951 AKIVAEMHBBAVNN-LDDOYCOJSA-N 364.350 0.801 0 40 FCAB CC(C)[C@H](CNC(=O)Cn1nnc2ccccc2c1=O)N1CCOCC1 12953783 LAAJVPIUUQEEAZ-INIZCTEOSA-N 359.430 0.265 0 40 FCAB Cc1ccc(CNC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 13040682 RMIPEVFRBWUVRV-UHFFFAOYSA-N 369.425 0.839 0 40 FCAB COc1ccccc1CCNC(=O)NC1CCN(S(C)(=O)=O)CC1 26280753 ZLMLIBDEXJTFAL-UHFFFAOYSA-N 355.460 0.961 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)c2cccs2)C1 32759845 HXGVBWKRTIKSTQ-NEPJUHHUSA-N 356.469 0.904 0 40 FCAB Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(NC[C@@H]2CCCO2)n1 39383610 YHYBJIFKADIUMM-ZDUSSCGKSA-N 372.429 0.963 0 40 FCAB NC(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1 46586037 XBRVBBKJIDCENE-UHFFFAOYSA-N 366.333 0.818 0 40 FCAB CCOC(=O)c1ccc(CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 55635619 CWGAUSGDOOQUJI-OAHLLOKOSA-N 368.455 0.598 0 40 FCAB CN(CC(=O)NCc1cccnc1-n1ccnc1)c1ncnc2[nH]cnc12 56654294 RAMADOKELKYYNI-UHFFFAOYSA-N 363.385 0.686 0 40 FCAB CC(=O)NCC(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 96001411 QWTKNAWJRXWHQV-GOSISDBHSA-N 372.469 0.458 0 40 FCAB CCS(=O)(=O)N1CCOC[C@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 96051322 XYQFAAGBDSAHEL-MRXNPFEDSA-N 372.418 0.610 0 40 FCAB C[C@@H](Nc1cccc(C(N)=O)c1)C(=O)N1CCN(c2ncccn2)CC1 97057594 RSOGWMGSLKYHKD-CYBMUJFWSA-N 354.414 0.725 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 257291820 QISXANGIGRAPSV-NSHDSACASA-N 354.432 0.142 0 40 FCAB O=C1COc2ccc(S(=O)(=O)N3CC[C@@H](N4CCCC4=O)C3)cc2N1 558769272 DRHUNMSNVMKZAX-LLVKDONJSA-N 365.411 0.403 0 40 FCAB Cc1snnc1C(=O)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1ccccn1 585105017 NUNCYHWYRSJADD-SJKOYZFVSA-N 373.438 0.899 0 40 FCAB Cn1c(=O)sc2cc(S(=O)(=O)NC(=O)c3cnccn3)ccc21 585274515 ZJDWYUQLUYBZBO-UHFFFAOYSA-N 350.381 0.509 0 40 FCAB Cc1c([C@H]2CNC[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)cnn1C 649276524 FZBWSAQLYQCFHN-SJORKVTESA-N 354.458 0.775 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)Cc3cc(F)ccc3F)C2)C1 685943337 ZDXHJCGAUFLEHD-LLVKDONJSA-N 351.353 0.313 0 40 FCAB NC(=O)CN1CCC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2O)C1 1116510277 QBAUVFFHBYQGIT-GFCCVEGCSA-N 361.377 0.397 0 40 FCAB CN(C)S(=O)(=O)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 1251069550 HOPXGNOMXRHFIN-UHFFFAOYSA-N 352.460 0.845 0 40 FCAB O=C(Nc1ccccc1)[C@@H]1CN(C(=O)C2CC(O)C2)Cc2ncnn2C1 1565549385 QKQZAQLFDSSQHZ-JVWICGRDSA-N 355.398 0.646 0 40 FCAB CC(=O)N[C@@H]1CN(C(=O)c2cnc3ccccn23)C[C@H]1c1ccnn1C 1615548743 OWSOSESICLWPKO-ZIAGYGMSSA-N 352.398 0.812 0 40 FCAB COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)Cn1cnc2sccc2c1=O 1635961315 XYPSKAAFSPRAFN-LLVKDONJSA-N 361.383 0.082 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cncn5C)C[C@H]4C3)nn12 1888904057 FSUNNLYCUIHKNX-CHWSQXEVSA-N 366.429 0.629 0 40 FCAB CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cccc12 642982 LRBOEWHGZIFPKV-LBPRGKRZSA-N 365.411 0.513 0 40 FCAB in-vitro O=C(O)c1c[nH]c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2c1=O 5635274 HZKDWAKXOWINPM-UHFFFAOYSA-N 352.368 0.372 0 40 FCAB Cc1nn2c(=O)/c(=C3\C(=O)N(C(C)C)c4ccccc43)sc2nc1=O 6670239 LGTBZIDPVQFHCP-OUKQBFOZSA-N 354.391 0.493 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)/C=C/c2cccc(F)c2)c(=O)n(C)c1=O 6945665 RZNLHLFPHXEIPX-VOTSOKGWSA-N 361.329 0.245 0 40 FCAB Cc1cccc(N(CCCC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1 8041669 GFQBGNVLZXSAKP-UHFFFAOYSA-N 367.471 0.842 0 40 FCAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(C)(=O)=O)CC2)c1C 10203280 LPFZXPVQQHWPIB-UHFFFAOYSA-N 357.432 0.526 0 40 FCAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N[C@H]1CCCNC1=O 12239677 SQWSSHGRYHPXTN-ZDUSSCGKSA-N 351.428 0.679 0 40 FCAB CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2cccc(F)c2)C1=O)C(=O)O 16899875 RMVRTJBXEHOBLY-NEPJUHHUSA-N 354.359 0.780 0 40 FCAB C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)C1=O 22281751 RNCMQCLCUXSGCR-NSHDSACASA-N 372.381 0.001 0 40 FCAB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)no1 34855050 SIUOZVTXZQQABR-UHFFFAOYSA-N 370.456 0.990 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCCc2ccc3c(c2)OCCO3)CC1 40034480 WGKVJXQLRPIGIH-UHFFFAOYSA-N 368.455 0.788 0 40 FCAB O=C(O)CNC(=O)CNC(=O)Cn1ccc2c(Br)cccc21 40309281 GNBSAWJFHVAVGX-UHFFFAOYSA-N 368.187 0.721 0 40 FCAB biogenic COC(=O)CCCNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 58158919 IMPAAOYRHJNEHY-UHFFFAOYSA-N 368.478 0.669 0 40 FCAB CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)CC1 89943543 KHFCNMBRHAHMII-ZDUSSCGKSA-N 373.450 0.861 0 40 FCAB O=C1[C@H](N2CCN(S(=O)(=O)C3CC3)CC2)CCCN1CC(F)(F)F 96000348 QRUJDEDIZWQIJY-GFCCVEGCSA-N 369.409 0.650 0 40 FCAB CN1CCN([C@@H]2COC3(CCN(C(=O)C4CCOCC4)CC3)C2)CC1 96048875 MKIMKPHHHIYYGA-KRWDZBQOSA-N 351.491 0.811 0 40 FCAB Nc1c(Cl)cc(C(=O)NC[C@H]2CN3CCN2CC3)c2c1OCCO2 135717466 AUEDWHIROZUNGK-JTQLQIEISA-N 352.822 0.423 0 40 FCAB CC(=O)N1CCN(C(=O)CCn2c(C)cc3ccccc32)C[C@H]1C(N)=O 257254734 KELGGBUYPRRBCV-KRWDZBQOSA-N 356.426 0.884 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257313877 UULZFMUKVDADTN-HNNXBMFYSA-N 359.430 0.935 0 40 FCAB O=S(=O)(NC[C@@H]1CN(Cc2nccs2)Cc2ccnn21)C1CC1 306143501 YDUXMGOJVNLZNR-GFCCVEGCSA-N 353.473 0.978 0 40 FCAB CCCNC(=O)CN1CCC(NC(=O)N[C@@H](C)[C@H](CO)SC)CC1 524837215 DHTFGFWBBKAIIY-JSGCOSHPSA-N 360.524 0.389 0 40 FCAB COC[C@@](C)(CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)OC 575611963 JBFOBKVBHVQTMQ-MRXNPFEDSA-N 370.427 0.670 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 585108650 QUQKRTYVZHNBTP-IPYPFGDCSA-N 372.418 0.793 0 40 FCAB Cn1cc(NC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)c(C(N)=O)n1 585114305 GSTBTUUDHMHEHJ-JGVFFNPUSA-N 350.297 0.442 0 40 FCAB C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1nnc2n1CCCCC2 642616550 MNRRQJAVGMKULT-NEPJUHHUSA-N 356.448 0.462 0 40 FCAB O=C(Cn1ccccc1=O)N1CCc2ncnc(N3CCOCC3)c2CC1 1565544123 DMVIGZRTWJBSLA-UHFFFAOYSA-N 369.425 0.102 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 1565551746 KCUAVNUJXYCRHK-XJKSGUPXSA-N 368.459 0.473 0 40 FCAB Cc1ccc(C[C@]2(CO)CN(CC(=O)Nc3cnn(C)c3)CCO2)cc1 1615083093 UGCAQHFSDVVBFG-LJQANCHMSA-N 358.442 0.973 0 40 FCAB O=C([C@@H]1CN(C2=NS(=O)(=O)c3ccccc32)CCO1)N1CCCCC1 1888860469 LSFGXKLRZNDDBU-AWEZNQCLSA-N 363.439 0.849 0 40 FCAB O=C(Nn1cnnc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 3235917 ZKXGRKIRIKVHJF-UHFFFAOYSA-N 353.379 0.976 0 40 FCAB CC(=O)[C@@H](C(=O)N(C)C)n1cnc2c(nnn2-c2cccc(F)c2)c1=O 4341803 YDHWNDCFPNQTRX-ZDUSSCGKSA-N 358.333 0.335 0 40 FCAB CCCNC(=O)COC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 5485442 ZVAQXYIENWEYKL-GOSISDBHSA-N 361.398 0.831 0 40 FCAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 6326730 HAFPDPSIVUVIMH-UHFFFAOYSA-N 356.444 0.859 0 40 FCAB CCn1c(SCC(=O)Nc2ccccc2SCC(N)=O)n[nH]c1=O 6851378 RKFOPKHNVQRGPH-UHFFFAOYSA-N 367.456 0.900 0 40 FCAB CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 7780163 KTORAKFXMPNCRZ-CQSZACIVSA-N 361.398 0.467 0 40 FCAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)NCc1ccco1)c(=O)n2C 9571653 NBRCQYSBFOWXOQ-UHFFFAOYSA-N 372.381 0.712 0 40 FCAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H]3C(N)=O)ccc21 9723159 PLAXFEYZNSLRPW-OAHLLOKOSA-N 351.428 0.624 0 40 FCAB CNC(=O)NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 14115914 RJRRLRLVMHMIRA-UHFFFAOYSA-N 361.398 0.808 0 40 FCAB Cc1cccc(NC(=O)c2cc(C(N)=O)c(SCC(N)=O)nc2N)c1 22025292 XDENUMIPWHGTBJ-UHFFFAOYSA-N 359.411 0.901 0 40 FCAB COc1cc(CNCCNCCO)ccc1OCC(=O)NC(C)(C)C 22075865 GZCLPPRSGYXPSQ-UHFFFAOYSA-N 353.463 0.660 0 40 FCAB Nc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2[nH]cnc2n1 31809123 SPKXYUOADUJNDP-UHFFFAOYSA-N 353.386 0.986 0 40 FCAB CC1=NN(c2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1 48293188 FSMAJNQOLLRWLY-UHFFFAOYSA-N 350.444 0.990 0 40 FCAB Cc1cccc(NC(=O)CN2CCN(c3ccc4nnnn4n3)CC2)c1C 57369656 QUNCAKGDFNHGJZ-UHFFFAOYSA-N 366.429 0.897 0 40 FCAB CC[C@@H](C(=O)Nc1cccc(C(=O)NCC(=O)OC)c1)N1CCCC1=O 76023177 QQVQFULRYCSOFW-AWEZNQCLSA-N 361.398 0.929 0 40 FCAB CN1CCN(C(=O)CN2CCN(c3nncc4ccccc34)CC2)CC1 93204402 XDFILMBEZXSGNL-UHFFFAOYSA-N 354.458 0.526 0 40 FCAB CON(C)S(=O)(=O)c1cccc(C(=O)NCCSCC(=O)O)c1 95970665 WLVXHKAUXCOTBC-UHFFFAOYSA-N 362.429 0.416 0 40 FCAB Cn1cccc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1=O 96104250 LFUMROQTNWHUIE-UHFFFAOYSA-N 350.371 0.823 0 40 FCAB COCCN1C(=O)C[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(F)cc(F)c1 107251603 NKBPDPCYIFIJFR-KBPBESRZSA-N 360.382 0.975 0 40 FCAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(c1ccccc1)S(C)(=O)=O 145556098 CDRJNYAGZPPQSS-GFCCVEGCSA-N 353.444 0.565 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cnn(C)c2)C1 257218415 DDBHQRPCJZABKW-GFCCVEGCSA-N 350.448 0.863 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ccnn3C)cn2)CC1 257284371 PCKHNFLHRMONGC-UHFFFAOYSA-N 350.448 0.863 0 40 FCAB COC[C@@H](C)NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 408621875 PQUDUQAVGBANKK-LLVKDONJSA-N 360.432 0.621 0 40 FCAB COCCN1CC[C@@]2(CN(C(=O)c3ccn(C)n3)CC(F)(F)C2)C1=O 585093432 WHFQPIMHTWRSOP-OAHLLOKOSA-N 356.373 0.766 0 40 FCAB O=C(c1ccncc1F)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@H]2C1 1549161652 HVYJJQDRYNBUPP-CQSZACIVSA-N 374.372 0.488 0 40 FCAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@]1(OCCO)CCOC1 1565520001 YPMYTFWEPVXYGJ-INIZCTEOSA-N 359.444 0.758 0 40 FCAB Cc1nc(N2C[C@H]3CN(C(=O)c4cc(C)n(C)n4)C[C@H]3C2)nc(O)c1F 1888860226 COJCPLPLBLHCOQ-TXEJJXNPSA-N 360.393 0.880 0 40 FCAB O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)NC[C@@H]1CCCO1 878421 XHKVMXUQOFHZHZ-INIZCTEOSA-N 372.429 0.472 0 40 FCAB COC(=O)c1cn([C@H]2CO[C@@H]3[C@@H](NC(=O)c4ccccc4)CO[C@H]23)nn1 4260924 RLISFULXRLEFKV-BYNSBNAKSA-N 358.354 0.202 0 40 FCAB biogenic,in-vitro Cc1c(CC(=O)N2CCNC(=O)C2)c(=O)oc2cc(O)c(Cl)cc12 8765029 OSYCZIYXZLVIJY-UHFFFAOYSA-N 350.758 0.961 0 40 FCAB Cc1cccc2[nH]c(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc12 8777676 WHSFHDABCMPBEC-UHFFFAOYSA-N 370.365 0.496 0 40 FCAB Cc1nn(C)c(C)c1CNC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21 9184047 DPOMBIYTSFYUDC-HNNXBMFYSA-N 355.398 0.487 0 40 FCAB Cn1c(COC(=O)CCCn2c(=O)oc3ccccc32)cc(=O)n(C)c1=O 11224168 KHBAGIFTFHZNRC-UHFFFAOYSA-N 373.365 0.516 0 40 FCAB O=C1CCc2cc(S(=O)(=O)NCCNC(=O)c3ccccn3)ccc2N1 12362488 DVGIZUVEOPVDRI-UHFFFAOYSA-N 374.422 0.675 0 40 FCAB COCCOCCCNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 12602163 ZSOONUXXYODICD-LBPRGKRZSA-N 369.443 0.283 0 40 FCAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(c2ncccn2)CC1 12694358 XHJVTFCEVYBLKO-INIZCTEOSA-N 366.425 0.719 0 40 FCAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc2nnnn2n1 12914668 WRXJWXDCEAKMJA-NSHDSACASA-N 366.385 0.719 0 40 FCAB CCOCCCNC(=O)CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 16695771 NAMGEXLEPMQIDM-CYBMUJFWSA-N 357.476 0.870 0 40 FCAB COc1ccc(S(=O)(=O)NCCc2cnccn2)cc1NC(C)=O 19022204 GFYCADBUJQFDFB-UHFFFAOYSA-N 350.400 0.965 0 40 FCAB Cn1ccc(NC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)n1 25169458 VMHXFZAJBZTUCY-UHFFFAOYSA-N 372.414 0.927 0 40 FCAB O=C([C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1)N1CCOCC1 26970007 ANCIGNFRHOQEBV-CYBMUJFWSA-N 360.432 0.748 0 40 FCAB C[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2cnn(C)c2)CC1 36392160 SCEHBHDRPYLYND-AWEZNQCLSA-N 369.491 0.127 0 40 FCAB CNC(=O)NC(=O)[C@H](C)NCC1(c2ccc3c(c2)OCO3)CCOCC1 58162108 OUEZYEZKHQGVFW-LBPRGKRZSA-N 363.414 0.897 0 40 FCAB CC(C)(C(N)=O)N1CCN(C(=O)c2ccc(N3CCOC3=O)cc2)CC1 72306488 OHVTXZLFKPYACN-UHFFFAOYSA-N 360.414 0.665 0 40 FCAB Cc1cnn(-c2ccc(S(=O)(=O)N(C)CC(C)(CO)CO)cc2F)c1 95454394 LKPWYDXBZYDPSD-UHFFFAOYSA-N 371.434 0.931 0 40 FCAB CC(=O)[C@]12[C@@H]3[C@H]4[C@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@]41Br)C21OCCO1 101405267 FCTNJUJIKYLXCW-CCPPYFBGSA-N 369.211 0.947 0 40 FCAB Cc1ccc(C)n1-n1c(CN2CCOCC2)nnc1CN1CCOCC1 225151152 LCPQYGWEEVHVCK-UHFFFAOYSA-N 360.462 0.672 0 40 FCAB CC(C)CN1CC2(C1)C(=O)N(Cc1cccnc1)C(=O)[C@@H]1C[C@@H](O)CN12 225386781 XOFFUEUMBFSQGM-CVEARBPZSA-N 358.442 0.096 0 40 FCAB biogenic,in-vitro CCn1cc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)[C@@](C)(O)CO3)cn1 257234436 GTNJCFZZFWTARG-RDJZCZTQSA-N 350.463 0.979 0 40 FCAB Cc1ccc2nc(C(=O)N3CC[C@H](O)[C@@H](N4CCOCC4)CC3)cn2c1 257249525 JITQADCZPQLYSM-IRXDYDNUSA-N 358.442 0.940 0 40 FCAB C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)c1cn(C)cn1 585097365 JOERSQYNLHXYPK-ZDUSSCGKSA-N 354.414 0.775 0 40 FCAB Cc1noc(CC(=O)N2CCC3(CC[C@H](C(=O)NC(C)C)O3)CC2)n1 585113495 RDSQPLFWBQUBTF-CYBMUJFWSA-N 350.419 0.985 0 40 FCAB COCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)CC2 622431143 UTEMEDQDPBTNFI-QMMMGPOBSA-N 358.324 0.922 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3CN(C(=O)c4ccco4)CCO[C@H]3C2)n1 1565554842 HBXSRPGOOZDQNS-JSGCOSHPSA-N 359.386 0.411 0 40 FCAB C=CC(=O)Nc1ccc(C(=O)NCc2nnc3n2CCN(C)C3=O)cc1 1643920384 KXEUPMURAZIKKI-UHFFFAOYSA-N 354.370 0.418 0 40 FCAB Cn1cnc(N2CCCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1=O 1888870033 YXWLZBLGLSDECX-UHFFFAOYSA-N 373.438 0.442 0 40 FCAB Cn1c(=O)c2c(ncn2[C@H](C(=O)N2CCCC2)c2ccccc2)n(C)c1=O 5185222 FQWVJYBUAJNVPX-AWEZNQCLSA-N 367.409 0.646 0 40 FCAB CC(C)(C)n1nnnc1SCC(=O)N1CCN(c2ncccn2)CC1 8252754 GTCCRRFVZWKOST-UHFFFAOYSA-N 362.463 0.659 0 40 FCAB Cn1cccc1C(=O)NC(=O)CSc1nnnn1C[C@H]1CCCO1 9640268 GJPREZRYIFTATE-SNVBAGLBSA-N 350.404 0.239 0 40 FCAB Cc1sc2nc(C)n3c(=O)n(CC(=O)N4CCOCC4)nc3c2c1C 12144872 IXUOVQVJZRJSDX-UHFFFAOYSA-N 361.427 0.890 0 40 FCAB CCCn1c(=O)n(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 40012046 KWRSXLCNGVFDJA-CYBMUJFWSA-N 365.455 0.906 0 40 FCAB COc1ccc(S(=O)(=O)CCNS(=O)(=O)c2c(C)n[nH]c2C)cc1 72391771 GMQGJWUQBJCMGD-UHFFFAOYSA-N 373.456 0.787 0 40 FCAB COC(=O)Cn1cc(CNC(=O)/C=C/c2cc(OC)ccc2OC)nn1 83925493 SFTMSNKQGXXBDZ-QPJJXVBHSA-N 360.370 0.798 0 40 FCAB Cn1cc(C[C@@H]2CC(=O)N(CC(=O)NCCc3ccsc3)C2=O)cn1 101403996 VGKSXWBQWZJKIN-CQSZACIVSA-N 360.439 0.758 0 40 FCAB COc1cc(N2CC3(C2)OCC[C@H]3CCNC(=O)c2ccnn2C)ncn1 248050354 QSFWOCNGWIWKRJ-CYBMUJFWSA-N 372.429 0.634 0 40 FCAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CN(C(=O)CN(C)C)CCO2)n1 257253840 KALISQQJTLUUEE-INIZCTEOSA-N 356.430 0.891 0 40 FCAB CN1CCN([C@H]2CCN(C(=O)Cn3cnc4ccccc43)CC[C@@H]2O)CC1 257290198 QBZBFFBMVAYLMP-OALUTQOASA-N 371.485 0.636 0 40 FCAB CN1CCN(C[C@]2(O)CCN(S(=O)(=O)c3ccccc3F)C2)CC1 257327492 XBNYADWHGDZDDA-MRXNPFEDSA-N 357.451 0.199 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cncc(-c3cnn(C)c3)n2)C1 257332800 XYSBUUCJCVKQHQ-GFCCVEGCSA-N 350.448 0.863 0 40 FCAB CNC(=O)/C=C/CNC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 575617853 RHSVGBGUIBABOP-AATRIKPKSA-N 363.418 0.735 0 40 FCAB O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)N1CCOCC(F)(F)C1 685088861 YNFYVOOBNREVCG-JTQLQIEISA-N 364.374 0.742 0 40 FCAB O=C(NC[C@@H]1OC[C@@H]2CN(C(=O)C3CC(O)C3)CC[C@@H]21)c1ccncc1 1565547908 YEBFDZOVTJHDMV-LZYVMWMOSA-N 359.426 0.446 0 40 FCAB CC(=O)c1cc(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)n[nH]1 2055747918 ZHRSZQUMQXUYEH-IRXDYDNUSA-N 355.398 0.733 0 40 FCAB OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O 580569 MRPKNNSABYPGBF-MJFSBKNWSA-N 357.370 0.050 0 40 FCAB biogenic,in-vitro C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O 1575996 UIHDXSNRWRHJRT-FZMZJTMJSA-N 360.370 0.837 0 40 FCAB in-vitro CCOc1ccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 3382836 ZMDQBIXNYNACAD-GFCCVEGCSA-N 371.411 0.554 0 40 FCAB CCN(C(=O)COC(=O)c1cccnc1SC)[C@@H]1CCS(=O)(=O)C1 4164120 ZOVVGVIGTQXODJ-LLVKDONJSA-N 372.468 0.996 0 40 FCAB CCOC(CNS(=O)(=O)CCNC(=O)c1ccc(OC)cc1)OCC 5302113 NJJIXMSDKVJSDQ-UHFFFAOYSA-N 374.459 0.744 0 40 FCAB COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NC1CC1 8077307 GPBFJFOQKKZMEX-CYBMUJFWSA-N 354.428 0.507 0 40 FCAB CC(=O)N1C[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)Oc2ccccc21 8232960 OBNGTUOSLYPJGY-GOEBONIOSA-N 352.412 0.494 0 40 FCAB CC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3Cc2ccco2)n(C)c1=O 8778513 RJHMHEHXXOYPKM-LLVKDONJSA-N 371.397 0.735 0 40 FCAB CN1[C@@H](C(=O)NC[C@H]2CCCO2)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 12129721 MOFKQHGRZGWRNL-QLFBSQMISA-N 371.434 0.701 0 40 FCAB C[C@H](NC(=O)Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)c1ccco1 13009698 NEENMPNWJSRHDG-HZMBPMFUSA-N 351.334 0.929 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 13574432 DOMSBGXMTOVLON-CFZBIGKESA-N 357.410 0.588 0 40 FCAB CN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 15255849 WZXXORYCOOYTSS-INIZCTEOSA-N 351.472 0.454 0 40 FCAB CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)c2ccc[nH]2)c1=O 16364980 KZVLKRZJHLCHLT-UHFFFAOYSA-N 355.350 0.937 0 40 FCAB NS(=O)(=O)c1ccc(NC(=S)N[C@H](Cc2cnc[nH]2)C(=O)O)cc1 16428551 AVBKDDMBXOWRIO-LLVKDONJSA-N 369.428 0.039 0 40 FCAB CN(C)c1ncc(C(=O)NCCn2nc(-c3cccs3)oc2=O)cn1 19585449 WARKVTZZZVQMGZ-UHFFFAOYSA-N 360.399 0.851 0 40 FCAB Cc1nnnn1-c1cccc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 19716102 KRFGUSWRDQYJEJ-CQSZACIVSA-N 364.431 0.028 0 40 FCAB Cc1noc(COc2ccccc2OC[C@H](O)CN2CCN(C)CC2)n1 20469976 TXAKMPGFVBPDFS-OAHLLOKOSA-N 362.430 0.944 0 40 FCAB CCn1cc(Br)c(C(=O)Nc2cc(=O)n(C)c(=O)n2C)n1 27971416 FJFIPVSDECCSPP-UHFFFAOYSA-N 356.180 0.315 0 40 FCAB CN(C)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccn1C 38674675 XLLTYFQAKNCSSS-OAHLLOKOSA-N 356.492 0.416 0 40 FCAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCN1CCOCC1)C2=O 45973343 POUUYBWOIUOWKF-UHFFFAOYSA-N 366.462 0.326 0 40 FCAB CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)CN2CCSC2=O)C1 51466549 OFNAZIVGGCDVGX-GFCCVEGCSA-N 363.505 0.722 0 40 FCAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NCCCn1ccnc1 57423209 CLAWURGUGLMLDG-CQSZACIVSA-N 357.480 0.777 0 40 FCAB Cn1ccnc1CN1CCOC[C@]2(C[C@@H](CNc3cnccn3)CO2)C1 107795281 WBXSBKPKHYSSKU-YJBOKZPZSA-N 358.446 0.930 0 40 FCAB CN(C)C(=O)COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1 226744043 GZYAVHKOVWZAGI-UHFFFAOYSA-N 366.443 0.719 0 40 FCAB Cc1nc(C(=O)N2Cc3ccnn3C[C@H](CNS(C)(=O)=O)C2)cs1 248055978 UGAWKKQAHXBQDT-LLVKDONJSA-N 369.472 0.469 0 40 FCAB Cn1cccc1C(=O)NC[C@H]1CN(S(C)(=O)=O)Cc2ccnn2C1 248127617 MHAHLPNAHYFZHD-LBPRGKRZSA-N 351.432 0.043 0 40 FCAB O=C(c1ccncc1)N1C[C@H]2c3nn(CC4CCC4)c(=O)c(=O)n3C[C@H]2C1 306142206 WSXKEZGAXHOWPX-HUUCEWRRSA-N 367.409 0.470 0 40 FCAB Cn1cc(CN2Cc3ncn(C)c3[C@@H](C(=O)N3CC(F)(F)C3)C2)cn1 585110867 RNVDNZRUYLVFNK-LBPRGKRZSA-N 350.373 0.731 0 40 FCAB Cn1ccc(CC(=O)N2CCOC[C@]3(CCN(Cc4nccn4C)C3)C2)n1 585113544 FZBLANQCDUUXCR-IBGZPJMESA-N 372.473 0.447 0 40 FCAB CC(C)N1CCN(C[C@@]2(O)CN(C(=O)c3ccccc3)CC[C@@H]2O)CC1 585285669 RSYVSBQUUZDMJB-AZUAARDMSA-N 361.486 0.651 0 40 FCAB Cc1noc(C)c1CN1CCC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1565545937 PAGXLHLYUGOAMQ-SFHVURJKSA-N 374.445 0.927 0 40 FCAB O=C(c1csnn1)N1CC[C@H]2C[C@@H](C(=O)N3CCCCO3)O[C@@H]2C1 1565547336 OBLZQAFMKKUGCD-WCFLWFBJSA-N 352.416 0.712 0 40 FCAB Cn1cnc2ncnc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)c21 1888866310 XHVFKCMDCAJDOV-UHFFFAOYSA-N 355.402 0.759 0 40 FCAB OC[C@@H](O)[C@H]1OCCCCCCOc2cccc(c2)NC[C@@H](O)[C@H]1O 2037972633 LPBBNYFONDCLNC-BRSBDYLESA-N 355.431 0.512 0 40 FCAB O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(S(=O)(=O)C2CC2)C1 2055746457 IABKBEQVTYNLJV-CYZMBNFOSA-N 352.416 0.387 0 40 FCAB C[C@@H](O)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 4085300 LZBURFZSWMUWSF-PMXXHBEXSA-N 364.423 0.985 0 40 FCAB biogenic COCCNC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029269 OCHNRYWNUHASCF-ZDUSSCGKSA-N 361.441 0.024 0 40 FCAB O=C1CN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CCN1 12910214 BQIHXQUMELLLEZ-UHFFFAOYSA-N 370.386 0.636 0 40 FCAB C[C@H]1CCc2c(sc(NC(=O)CON3C(=O)CCC3=O)c2C(N)=O)C1 14094278 XGGUGYCJYLKWQE-QMMMGPOBSA-N 365.411 0.991 0 40 FCAB CCN1CCN(C2=NC(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)N2)CC1 14606959 YSNAFWOELXLWBR-ZDUSSCGKSA-N 373.413 0.236 0 40 FCAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)NC3=NC(=C(C)C)NN32)c1 14607193 FXAOLTASNZUYHX-GFCCVEGCSA-N 359.386 0.958 0 40 FCAB Cc1cc(C(=O)N2CCC(CCN(C)C)CC2)c2c(=O)[nH]c(=O)n(C)c2n1 19662617 GQPLJKJHFPQQOA-UHFFFAOYSA-N 373.457 0.734 0 40 FCAB CCOc1ccc2c(c1)c(=O)c(C(=O)NCCN1CCOCC1)cn2C 22237407 FKJDRTPJIVRSJR-UHFFFAOYSA-N 359.426 0.999 0 40 FCAB O=S1(=O)CC[C@H](N2CCN(Cn3ncn(C4CC4)c3=S)CC2)C1 23249248 VPSDCZUPKGDZGD-ZDUSSCGKSA-N 357.505 0.511 0 40 FCAB CN(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2F)CC1 24688754 BZEWPJBCWYHWEK-UHFFFAOYSA-N 361.414 0.749 0 40 FCAB COC(=O)[C@H](C)N(C(=O)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 32641369 QXUBNKIWNCCCMV-FZMZJTMJSA-N 357.403 0.945 0 40 FCAB COC(=O)CCN(C(=O)COc1ccccc1)[C@H]1CCS(=O)(=O)C1 32641458 CANXEUKALUVYPU-ZDUSSCGKSA-N 355.412 0.644 0 40 FCAB Cn1nc(C(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)c2c1CCNC2 34928759 COMMJWUUBMOTJJ-CQSZACIVSA-N 359.474 0.931 0 40 FCAB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 36393242 HLHKHRYXSOOIGT-GJZGRUSLSA-N 366.487 0.238 0 40 FCAB COc1ncccc1NC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 40121638 MCFCIZBLFHXUOM-TXEJJXNPSA-N 372.447 0.651 0 40 FCAB CCN(Cc1nnc(C)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 47541459 SBVUCVZIUSSNEA-UHFFFAOYSA-N 369.429 0.631 0 40 FCAB CS(=O)(=O)N1CCN(c2ccccc2N2C[C@@H](C(=O)O)CC2=O)CC1 57327862 TYXMLEFDIINRNL-LBPRGKRZSA-N 367.427 0.206 0 40 FCAB CCCn1c(N)c(C(=O)CN2CCc3sccc3C2)c(=O)n(C)c1=O 57389665 HIBRKTWTXDJGEC-UHFFFAOYSA-N 362.455 0.842 0 40 FCAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1cccc(-n2cnnn2)c1 60165918 JYSDRTFONMBWJX-UHFFFAOYSA-N 372.410 0.733 0 40 FCAB O=C(NCCN1CCS(=O)(=O)CC1)c1ncccc1C(F)(F)F 92339002 GQITVRRPAXFLEP-UHFFFAOYSA-N 351.350 0.561 0 40 FCAB O=C(c1cc[nH]n1)N1CCOC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 96240083 AWSBJJOOOGMFGC-GOSISDBHSA-N 356.382 0.684 0 40 FCAB C[C@](O)(CNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)C1CC1 206659297 OKLBFWSUSASITC-KRWDZBQOSA-N 350.440 0.961 0 40 FCAB O=C(O)c1cc(S(=O)(=O)NCCCO)ccc1NC[C@@H]1CCCO1 217594537 AJOZBMGPOKNWGN-NSHDSACASA-N 358.416 0.636 0 40 FCAB CN(C)C(=O)[C@@H]1CN(C(=O)CCN(C)c2ccc(F)cc2)CCN1C 257244026 IJOGYSDWJBBVSR-INIZCTEOSA-N 350.438 0.883 0 40 FCAB CC(C)c1nccn1CCC(=O)NC[C@@]1(O)CCN(c2cnccn2)C1 257309852 UCQISKNYASRCIF-SFHVURJKSA-N 358.446 0.944 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)NC[C@@H]1CCCN1c1ncccn1 618256793 MPOXVFLUJCGKJJ-AWEZNQCLSA-N 364.409 0.972 0 40 FCAB Cn1cncc1CN1CC[C@H]2[C@H](CC(=O)NCc3ccon3)OC[C@H]2C1 1565543370 GIQSIXADNOPWTJ-XYPHTWIQSA-N 359.430 0.952 0 40 FCAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)C5CC5)C[C@H]4C3)ncnc21 1888876384 VKRPWRJNVWUAMN-OKILXGFUSA-N 356.430 0.777 0 40 FCAB COc1ccc(OC)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 851767 KOXMJQIYZOYRIT-UHFFFAOYSA-N 373.369 0.090 0 40 FCAB COC(=O)c1c(NC(=O)COC(=O)CNC(N)=O)sc2c1CCCC2 3433514 NNIKRVCUJZIJLI-UHFFFAOYSA-N 369.399 0.564 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CSCC(=O)OCC(=O)Nc1ccccn1 4116901 KIFOPHXGIGLUSY-UHFFFAOYSA-N 364.383 0.182 0 40 FCAB CCOC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1 5402308 JQAXWMKDRJDBEK-UHFFFAOYSA-N 358.372 0.366 0 40 FCAB CCOC(=O)c1cc(-c2ccccn2)nc2c1c(=O)[nH]c(=O)n2CCOC 5689809 GKTXPZHLQMZQPY-UHFFFAOYSA-N 370.365 0.970 0 40 FCAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCCC2)c1 7475234 GPBOMOWZQCSYSR-UHFFFAOYSA-N 353.444 0.679 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 7785919 MVLBQOWSOPABKE-UHFFFAOYSA-N 351.472 0.924 0 40 FCAB O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(c2ccccn2)CC1 7977071 UIBWNWXUUDKCGU-UHFFFAOYSA-N 373.438 0.228 0 40 FCAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccncc3)[C@@H]4C2=O)no1 9060750 VLMHIIXZOAOWBE-NVQRDWNXSA-N 366.377 0.981 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NC)CC2=O)cc1 12901098 MYHGQDJAPYLTPC-GFCCVEGCSA-N 353.444 0.816 0 40 FCAB Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)on1 18151674 QUPOYEFEDJECSG-UHFFFAOYSA-N 365.411 0.934 0 40 FCAB NS(=O)(=O)c1cc(C(=O)OCC(=O)NCCc2cccs2)cs1 18388807 ILGMMBUBKSGAHY-UHFFFAOYSA-N 374.465 0.973 0 40 FCAB COCc1nnc(NC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)s1 19594508 AUODSHWOCLNFGJ-LLVKDONJSA-N 353.448 0.756 0 40 FCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566685 PJRFPGAZODKYNO-XJBKJOOHSA-N 357.410 0.586 0 40 FCAB COc1ccc(OC)c(NC(=O)C[C@@H]2SC[C@H](C(=O)O)NC2=O)c1 20635202 NSLBSQWNSLYGNH-PWSUYJOCSA-N 354.384 0.717 0 40 FCAB CC(=O)Nc1ccc(SCCCC(=O)NCCN2CCOCC2)nn1 21148897 MNIJXNWLBLNGAV-UHFFFAOYSA-N 367.475 0.756 0 40 FCAB C[C@H](C(=O)N1CCCc2ccccc21)n1cnc2c1c(=O)n(C)c(=O)n2C 21984149 KKPHFEXJINWKNH-GFCCVEGCSA-N 367.409 0.974 0 40 FCAB O=C(NCCCN1CCOCC1)c1ccccc1CN1C(=O)CNC1=O 22688354 SKLHSYDBINJUOX-UHFFFAOYSA-N 360.414 0.191 0 40 FCAB O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCN(c2nccs2)CC1 25233023 YIJCXTNDUFPXSE-ZDUSSCGKSA-N 372.450 0.922 0 40 FCAB C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@@H](C)O1 32768003 DJZUNVMBLCTAAQ-VXGBXAGGSA-N 357.432 0.285 0 40 FCAB CC(C)C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1nccs1 36359422 HYTDYMSYVXUBPP-QWRGUYRKSA-N 374.488 0.983 0 40 FCAB CCCn1ccnc1S(=O)(=O)CC(=O)Nc1ccc(C(N)=O)cc1 40152158 LHOCDVPBZALJHP-UHFFFAOYSA-N 350.400 0.804 0 40 FCAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)n1 40288189 NBHNLBJBIBOXFH-UHFFFAOYSA-N 368.401 0.539 0 40 FCAB NC(=O)NC[C@H]1CCCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 48278958 WKLLMCXUILDOJY-CYBMUJFWSA-N 370.475 0.944 0 40 FCAB COc1cn(CC(=O)N2CCN(Cc3ccccc3)CC2)c(CO)cc1=O 71282482 KIBHWPHHIQIQAU-UHFFFAOYSA-N 371.437 0.694 0 40 FCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(c1ccncn1)C2 96077257 LHGPZJXNYUEJOF-KRWDZBQOSA-N 355.402 0.054 0 40 FCAB CS(=O)(=O)CC(=O)N1Cc2cncn2C[C@@H](COCC2CCC2)C1 96208737 SMKDHYZKAYNPJD-AWEZNQCLSA-N 355.460 0.703 0 40 FCAB CCCOc1ccc(N2C(=O)C[C@H](N3CCN(CC(N)=O)CC3)C2=O)cc1 100143394 UNJWKLDFNMQLGD-INIZCTEOSA-N 374.441 0.210 0 40 FCAB Cc1nn(C)cc1C(=O)N1CCN(CCc2ccccc2)[C@H](C(N)=O)C1 257208254 BLIUICISUMMBKM-KRWDZBQOSA-N 355.442 0.583 0 40 FCAB Cn1nccc1CCC(=O)N1CCN(CCc2ccccc2)[C@H](C(N)=O)C1 257281203 OOCKPWVKNGCGNO-SFHVURJKSA-N 369.469 0.594 0 40 FCAB COC(=O)c1ccc(CNC(=O)Cc2ccc(S(N)(=O)=O)s2)o1 554618943 FLHZSEZTGNMDGV-UHFFFAOYSA-N 358.397 0.634 0 40 FCAB COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3C(=O)O)C2=O)c1 649456579 OTVTZUAGGRGPBB-RBSFLKMASA-N 362.382 0.988 0 40 FCAB CCN1C[C@]23CN(C(=O)c4cc(F)ncc4F)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565544916 USOYZSYOOOYCNT-MURWCNHISA-N 373.381 0.377 0 40 FCAB Cn1cnc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)n1 1565556838 ZWKNSLMJHTXOKZ-RHSMWYFYSA-N 350.419 0.347 0 40 FCAB CCN=c1ccnc(N2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)[nH]1 2086886976 LEODQSKJMNCFGB-GJZGRUSLSA-N 362.478 0.088 0 40 FCAB COc1cc(C(C)=O)ccc1OS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 4338467 VTXAEIFXZPTUGD-UHFFFAOYSA-N 368.367 0.063 0 40 FCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ccccc1F 5958861 NHADWMGPOUQYGW-ZDUSSCGKSA-N 356.419 0.520 0 40 FCAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)N1CCN(c2ncccn2)CC1 7047008 FNXUTHZNSKJRIB-UHFFFAOYSA-N 371.441 0.835 0 40 FCAB Nc1nnc(SCC(=O)NCc2ccc(S(N)(=O)=O)cc2)s1 9699675 SULJHQFVSZWCPH-UHFFFAOYSA-N 359.458 0.176 0 40 FCAB C[C@H](OC(=O)CNC(=O)c1cccc(OC(F)F)c1)C(=O)NC(N)=O 11700794 OGSVUOKMZZARRA-ZETCQYMHSA-N 359.285 0.144 0 40 FCAB COc1ccc2cc(C)c3nn(CC(=O)N4CCOCC4)c(=O)n3c2c1 12181875 PEUFXMABAUJGLM-UHFFFAOYSA-N 356.382 0.825 0 40 FCAB Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1F 12900108 QEDNEUOKQDXCPC-NEPJUHHUSA-N 354.403 0.790 0 40 FCAB Cc1c(CC(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)oc2cc(O)cc(O)c12 13654964 FNJWCPTUOJZUBG-VIFPVBQESA-N 367.379 0.358 0 40 FCAB CN1C(=O)NC2(CCN(C(=O)Cc3ccc4nc(N)sc4c3)CC2)C1=O 19662230 KGBARYQAAAYYTG-UHFFFAOYSA-N 373.438 0.964 0 40 FCAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCOCC1 22252891 UKIJENKCTKIEAO-UHFFFAOYSA-N 372.443 0.962 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)OCc2nc(N)c3ccccc3n2)CC1 24119295 QLVKVGFZUKKVLR-UHFFFAOYSA-N 364.427 0.927 0 40 FCAB CC(C)c1cc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]2O)cc(C(C)C)c1O 35644598 UXCRGVWMLWGVRH-HBPKQKSZSA-N 370.398 0.910 0 40 FCAB CC[C@H](NC(=O)CCN1C(=O)N[C@@H]2NC(=O)N[C@H]21)c1ccc(OC)cc1 36748660 KJWIKQLFPRBDOG-QEJZJMRPSA-N 361.402 0.643 0 40 FCAB CNC(=O)NC(=O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 53049143 WZTMURCQWRYQNL-UHFFFAOYSA-N 350.394 0.610 0 40 FCAB Cc1nn(C)c(C)c1CCC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 55226500 SGFKWNPXQLPGDX-HNNXBMFYSA-N 361.490 0.781 0 40 FCAB CN(CC(=O)NC(C)(C)C)C(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 58053351 IGRTUSPLMBABIH-OAHLLOKOSA-N 360.458 0.272 0 40 FCAB COc1cc(C(=O)N2CCN(C(=O)NCc3nncn3C)CC2)ccc1C 58279511 TZZBDVZPVZRURE-UHFFFAOYSA-N 372.429 0.800 0 40 FCAB COCCS(=O)(=O)N1CCC(NC(=O)Cn2nc(C)cc2C)CC1 72265407 SAOXASGKBBBVRO-UHFFFAOYSA-N 358.464 0.057 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)s1 95443814 NHXGXMDYWIIGGH-UHFFFAOYSA-N 359.473 0.803 0 40 FCAB Cc1ccc(-n2nccc2NC(=O)C(=O)NCCN2CCCC[C@H]2C)nn1 95461293 ZUWCTLSKORKXDK-CQSZACIVSA-N 371.445 0.900 0 40 FCAB COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cn(C)cn3)C2)cc1 96121911 UBCZKGMAJDDRED-UHFFFAOYSA-N 371.440 0.276 0 40 FCAB O=C(O)c1ccc(N2CCOCC2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 217501171 RGTBTXHKLZFUAX-ZDUSSCGKSA-N 370.427 0.679 0 40 FCAB Cc1cc(C(=O)N2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)c(C)o1 247533649 PROKVFVTSAQUJL-CYBMUJFWSA-N 352.416 0.839 0 40 FCAB CCCn1nc(C)c(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)c1C 257242154 IBIDRFGYCGOBCD-GOSISDBHSA-N 350.463 0.819 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)N(C)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257332354 XWYKDLYWNJWYQI-UMVBOHGHSA-N 353.448 0.700 0 40 FCAB CC(C)CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cc1 284864723 PKAMXNFPWOMHRO-IUODEOHRSA-N 367.471 0.814 0 40 FCAB CN(C)c1nccc(N2CCN(c3ncccc3S(C)(=O)=O)CC2)n1 302717263 GIKDLTXRDRPBKA-UHFFFAOYSA-N 362.459 0.668 0 40 FCAB Cn1cc(CN2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)cn1 306126891 FIEHABCDONXBBN-CABCVRRESA-N 356.430 0.168 0 40 FCAB COC[C@@](C)(CNS(=O)(=O)c1cc(C(=O)OC)ccc1OC)OC 575611920 IMLCMKWQAXPTCZ-OAHLLOKOSA-N 361.416 0.812 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc(F)cc2C)CCO1 648439390 XDIROEDBWAAFRD-AWEZNQCLSA-N 352.362 0.908 0 40 FCAB Cn1cc(NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)cn1 1119070271 KRCUIILAUOXJPS-UHFFFAOYSA-N 354.164 0.459 0 40 FCAB Cn1cc(S(=O)(=O)N2CC3(CC(=O)N(Cc4ccccc4)O3)C2)cn1 1549161294 GKWORCLORJXJDI-UHFFFAOYSA-N 362.411 0.527 0 40 FCAB CCCN1CC[C@@H](NC(=O)Cn2cnc3c2CCNC32CCOCC2)C1 1614626996 TVSIDACLDZXKRU-OAHLLOKOSA-N 361.490 0.635 0 40 FCAB COC(=O)N[C@H]1CSC[C@H]1OC(=O)CN1C(=O)c2ccccc2C1=O 1427462 LQFFEUFPCVWAOA-NWDGAFQWSA-N 364.379 0.666 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)Cc2ccccc2)cc1 3442941 XAKLUAAWACVQLP-UHFFFAOYSA-N 361.423 0.309 0 40 FCAB CS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 4850478 NEUGCQPHYANBLI-UHFFFAOYSA-N 360.457 0.459 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCO)C2)cc1C 5000387 GGALHXKQQXKKCW-ZDUSSCGKSA-N 356.444 0.513 0 40 FCAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCC(=O)O 5322384 QGNJOQFKKKQZNB-QWRGUYRKSA-N 365.361 0.274 0 40 FCAB CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)c(Cl)c1 7307050 PNELDQSJBCLCHR-UHFFFAOYSA-N 350.799 0.958 0 40 FCAB O=C(O)CCC(=O)N(CCS(=O)(=O)N1CCCC1)Cc1ccncc1 9060897 FPZHELZMSGCOMK-UHFFFAOYSA-N 369.443 0.701 0 40 FCAB COc1ccc(OC)c2[nH]c(C(=O)NCc3cc(=O)n(C)c(=O)n3C)cc12 9340871 LNQKEKBCXFTDPV-UHFFFAOYSA-N 372.381 0.513 0 40 FCAB COCCN1C(=S)N(c2ccccc2OC)[C@H]2CS(=O)(=O)C[C@H]21 9344555 KOLLFZPTBXSFKK-OLZOCXBDSA-N 356.469 0.914 0 40 FCAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(N)=O)ccc1OC 10008855 FBHHLZAZZMGONH-UHFFFAOYSA-N 363.395 0.955 0 40 FCAB CC(C)CCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 14138845 ADYSBVVQRQGCPI-INIZCTEOSA-N 350.375 0.919 0 40 FCAB CCN(CC)S(=O)(=O)N1CCc2nnc([C@@H]3CCCCN3C)n2CC1 19706142 FQXCNNWKKMNNCM-AWEZNQCLSA-N 370.523 0.880 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2C)CC1 22190165 URFAWSQZVJBONL-UHFFFAOYSA-N 369.443 0.817 0 40 FCAB COCC(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 32859646 WPKRSYMWACYHTK-NSHDSACASA-N 358.416 0.762 0 40 FCAB CNC(=O)NC(=O)Cn1c(-c2cccc(Br)c2)noc1=O 58201927 NJKNXNPTEQXLFM-UHFFFAOYSA-N 355.148 0.721 0 40 FCAB Cn1ccnc1[C@](O)(CCNC(=O)CCNc1ncccn1)C(F)(F)F 58227031 QGZBTRAFXLYUHO-CQSZACIVSA-N 372.351 0.969 0 40 FCAB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cn1 70017482 QMLPYACFKLVRLI-KBPBESRZSA-N 361.427 0.728 0 40 FCAB Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4cc[nH]n4)C3)OCC2=O)cc1 96240098 OQRZWZFMORITFQ-IBGZPJMESA-N 370.409 0.993 0 40 FCAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCCO)c2cc(Br)ccc21 101458873 RFBZVYPJNLMHGR-NSHDSACASA-N 370.203 0.081 0 40 FCAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1)C2 107711855 RARLMBGTZCGAGK-AEFFLSMTSA-N 350.463 0.896 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@]2(CC1)CCN(Cc1ccncc1)C2=O 108526646 ZZOWCPDFQDXKMQ-IBGZPJMESA-N 358.442 0.949 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cc1C(N)=O 244986061 JDTSNHPYXUCREV-KMUNFCNLSA-N 370.427 0.409 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)Cc1ccco1)CC2 247846064 MQNAPQBREOAAHM-AWEZNQCLSA-N 370.471 0.969 0 40 FCAB CCOc1ccc(S(=O)(=O)NCc2nc(OC)nc(OC)n2)cc1F 575608852 YRFFXXLDVSPKBH-UHFFFAOYSA-N 372.378 0.905 0 40 FCAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)C3CC(O)C3)C2)C1 585101316 XLJQROBXRWQLMS-ZOJXTTQQSA-N 372.425 0.606 0 40 FCAB O=C(NCc1cccnc1)C1=NO[C@@H]2CN(C(=O)Cc3ccccn3)C[C@H]12 585109098 URJLUEGKMRNMCB-JKSUJKDBSA-N 365.393 0.549 0 40 FCAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NCc1csnn1 1549159132 AKKMNKLRIPRSIQ-ARFHVFGLSA-N 358.427 0.715 0 40 FCAB CN(C)CC(=O)N1CCN2C(=O)OC3(CN(c4ccc(F)cn4)C3)[C@H]2C1 1549162894 YFKAHGJTFXDWBO-CYBMUJFWSA-N 363.393 0.004 0 40 FCAB COCCN1CCCC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1=O 1565544667 NPJBJVCSOAKIOO-UHFFFAOYSA-N 361.442 0.877 0 40 FCAB COc1cc(C(=O)N2CCC3(CC2)COCCN(S(C)(=O)=O)C3)on1 1565554292 WQXSBTSUSAOANX-UHFFFAOYSA-N 373.431 0.197 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)(n2ccnc2)CC1 2055708249 XDVBQLICRIKFBB-UHFFFAOYSA-N 368.381 0.702 0 40 FCAB Cc1nc(C(=O)N2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)cs1 2055717951 MBTKTHGYCBHWHJ-GMXVVIOVSA-N 359.473 0.478 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@H]2[C@@H](CC(=O)Nc3cccnc3)[C@H]2C1 2055746530 VXVLOVVSZJCQCV-BTTYYORXSA-N 351.428 0.549 0 40 FCAB Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)o1 2055814221 SKKJABRDRMVOFV-GOSISDBHSA-N 357.414 0.885 0 40 FCAB COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 671696 RWPJGLIFUXQQDB-UHFFFAOYSA-N 356.400 0.599 0 40 FCAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 2726259 MLHGQHDLBVDTPS-UHFFFAOYSA-N 356.433 0.191 0 40 FCAB CC12C=C(Cl)C(Cl)([C@H](C(=O)O)[C@@H]1C(=O)O)[C@@H](C(=O)O)[C@@H]2C(=O)O 4611550 GAUWFYWDNGIVSY-KXYWAAIRSA-N 367.137 0.923 0 40 FCAB O=C(COc1ccccc1)NCC(=O)N1CCN(c2ccccn2)CC1 5062505 WDAPXAXQJROFAL-UHFFFAOYSA-N 354.410 0.925 0 40 FCAB CN(C)CCNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 5250734 FUVJGBFDLUQBSN-UHFFFAOYSA-N 368.459 0.233 0 40 FCAB CNC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 6060706 IVSFHWUFMIIQLV-UHFFFAOYSA-N 359.359 0.967 0 40 FCAB Cc1cccc(-n2nnnc2SCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 7156298 GHEZDAVKOSKHGI-NSHDSACASA-N 367.456 0.366 0 40 FCAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cc1 13371615 LBSVJUZQKXMTTF-GJZGRUSLSA-N 359.469 0.730 0 40 FCAB O=C(NCCOCCO)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 13570651 BDQBLUDACOLVAZ-UHFFFAOYSA-N 368.825 0.348 0 40 FCAB C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15957477 FITUUBFJCVHWRH-JJNNYRRPSA-N 369.421 0.730 0 40 FCAB biogenic O=C1C[C@@H](N2CCN(c3ncccn3)CC2)C(=O)N1CCc1ccccc1 19371165 XSNZZZSKFINTMF-QGZVFWFLSA-N 365.437 0.969 0 40 FCAB Cc1ccc(C(=O)NCCCN2CCOCC2)cc1NS(C)(=O)=O 22874414 RRNRCPOGTOHSGE-UHFFFAOYSA-N 355.460 0.819 0 40 FCAB COc1ccc(-c2nc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)no2)cc1 24044657 WXKMQGKLDOLTOT-UHFFFAOYSA-N 368.353 0.541 0 40 FCAB CCOC(=O)N1CCN(C(=O)CN2CCCc3c(C(N)=O)cccc32)CC1 32916314 ZGGJZJLXMOXOGU-UHFFFAOYSA-N 374.441 0.839 0 40 FCAB CCn1cnnc1CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 40113377 GFLXDEWEJKTGCW-UHFFFAOYSA-N 353.404 0.606 0 40 FCAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(C)(C)N1CCOCC1 54456391 XYZPZMNBAATOAH-AWEZNQCLSA-N 361.508 0.418 0 40 FCAB COc1cccc(S(=O)(=O)NC(=O)[C@H](C)NC(=O)c2ccoc2)c1 69366838 LJZVSBIKKUVYPA-JTQLQIEISA-N 352.368 0.912 0 40 FCAB O=C(NCCNC(=O)c1nccnc1C(=O)O)c1nc2ccccc2s1 72404801 RLCBEBMVAQGYKB-UHFFFAOYSA-N 371.378 0.944 0 40 FCAB O=c1[nH]c2cccnc2c(=O)n1CCS(=O)(=O)NCc1ccccc1 89836543 IPNYUDGBOXBPFW-UHFFFAOYSA-N 360.395 0.204 0 40 FCAB O=C1NC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)C[C@H]12 95467479 ZLDAWCWRHOFLDF-SECBINFHSA-N 364.210 0.918 0 40 FCAB COc1cc(=O)n(C)cc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2S(C)(=O)=O 225668344 UKGISFYKSWEJRL-YOGCLGLASA-N 369.443 0.079 0 40 FCAB Cc1cc(C)nc([C@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)n1 257223544 DXVVWIHLLNRZNL-OAHLLOKOSA-N 354.476 0.891 0 40 FCAB Cc1cc(-c2ccnn2C)nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257250368 JMGSKCLEZZACBB-GFCCVEGCSA-N 350.448 0.781 0 40 FCAB CNC(=O)C1(C(=O)N2CCN(C(=O)Cc3cccc(OC)c3)CC2)CC1 591077588 NAYMWHVHWDRYPV-UHFFFAOYSA-N 359.426 0.435 0 40 FCAB Cn1c(N2CCC[C@H]2C(=O)NCc2ccco2)nc2c1c(O)nc(=O)n2C 682390470 OVZROGGMFKTTSI-NSHDSACASA-N 372.385 0.251 0 40 FCAB CN(C1CC1)S(=O)(=O)N[C@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 682701938 YYNPPJGTFFAJAC-KBPBESRZSA-N 367.427 0.342 0 40 FCAB NS(=O)(=O)c1nc(C(=O)NCc2ccc(O)c(F)c2)n2ccccc12 1137441642 JUHWKKVVPSBAOV-UHFFFAOYSA-N 364.358 0.756 0 40 FCAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)CC[C@@H]21 1565547940 YTRKKYIETDFGIS-DLBZAZTESA-N 362.474 0.102 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cncn5C)C[C@@H]4C3)nn12 1888904058 FSUNNLYCUIHKNX-STQMWFEESA-N 366.429 0.629 0 40 FCAB CCN=c1cc(C)nc(N2CCN(c3ncnc4c3cnn4C)CC2)[nH]1 1889139033 WRHMRJPQVYXAJS-UHFFFAOYSA-N 353.434 0.642 0 40 FCAB COc1ccc(COC[C@H](O)CN2CCC(C(N)=O)CC2)cc1OC 3418232 FEYNTRYXHMEGAI-OAHLLOKOSA-N 352.431 0.779 0 40 FCAB C[C@H](OC(=O)c1ccc(F)cc1N)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 14236971 CRLQINIHRFKJSW-GXSJLCMTSA-N 358.391 0.599 0 40 FCAB COCCN1Cc2c(nc3sc(SCC(C)=O)nn3c2=O)C1=O 15922211 XSXQJVPUSNQEHI-UHFFFAOYSA-N 354.413 0.434 0 40 FCAB COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 22587424 WLZVVVYNUWCIER-KRWDZBQOSA-N 374.441 0.724 0 40 FCAB Cc1ccc2nc(CN3CCN(CC(=O)N4CCCC4)CC3)cc(=O)n2c1 22787755 FAOACLRPESGJGG-UHFFFAOYSA-N 369.469 0.743 0 40 FCAB COc1ccc([C@@H](CNC(=O)c2ccc(O)nn2)N2CCOCC2)cc1 23642085 AAKSFUKUMWYPOA-MRXNPFEDSA-N 358.398 0.994 0 40 FCAB COc1ccc(NC(=O)CNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 36357117 LUDARWRBGJHZKE-NSHDSACASA-N 371.415 0.129 0 40 FCAB COC(=O)c1ccc(C)c(O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 40051899 NSFHPCBZKIPQFQ-AAEUAGOBSA-N 355.412 0.852 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCCN1CC(=O)NC(=O)NC1CCCCC1 40086105 OAPPYGKMKQKEDC-CQSZACIVSA-N 374.507 0.549 0 40 FCAB CN(C[C@H](O)COCc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 65626954 UNGUFALMANKZAH-CABCVRRESA-N 356.444 0.393 0 40 FCAB CN1C[C@@H](C(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)CC1=O 72347121 GISZCCRTBQJTRC-LBPRGKRZSA-N 357.414 0.058 0 40 FCAB CC(=O)NCC(=O)N1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95998377 JVRMTSPUUHMGFC-QGZVFWFLSA-N 358.442 0.462 0 40 FCAB CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2cccc(C)c2)C1=O)C(=O)O 100855703 NFTNXTDMVJTAOP-OLZOCXBDSA-N 350.396 0.949 0 40 FCAB COCCNc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217632094 IEVWCYANGKMXDY-LLVKDONJSA-N 358.416 0.900 0 40 FCAB CN1CCN(c2ccc(NC(=S)NCCN3CCOCC3)cn2)CC1 223893679 NANNXCFYMGPPJO-UHFFFAOYSA-N 364.519 0.452 0 40 FCAB CC(=O)N1C[C@H](C(=O)O)CN2CCN(C(=O)Cc3ccccc3)C[C@H]2C1 247951399 QRBCAJKOJOAGHB-SJORKVTESA-N 359.426 0.305 0 40 FCAB CN(C)C(=O)c1cnn2c([C@H]3CCN(S(=O)(=O)N(C)C)C3)ccnc12 257293602 QQIQTOSHWKLQSV-NSHDSACASA-N 366.447 0.027 0 40 FCAB O=C(CN1CCCC[C@H](O)C1=O)NCc1ccc(Cn2cccn2)cc1 644295152 UCGXFNLXNFMYOD-KRWDZBQOSA-N 356.426 0.921 0 40 FCAB Cc1nc([C@@H]2CN(S(=O)(=O)c3cn(C)nc3C)C[C@H]2C2CC2)n[nH]1 685940471 BMCANSRTWOZVCH-QWHCGFSZSA-N 350.448 0.969 0 40 FCAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)C4CCC4)C[C@H]23)n1 1549161663 IQNFATWMZCPOSB-AWEZNQCLSA-N 357.414 0.807 0 40 FCAB CN1CCN([C@@H]2CCN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)C2)CC1 1549998558 ZRMQUTSBKZSIMG-IAGOWNOFSA-N 359.474 0.114 0 40 FCAB COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(O)n1 1857775488 GKVBQTUDNBQJLK-UHFFFAOYSA-N 373.372 0.244 0 40 FCAB Cc1cc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n2ncnc2n1 2086889415 UMQIZNAHSFOCDI-UHFFFAOYSA-N 350.448 0.826 0 40 FCAB CC(C)(C)CC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243298 ZBKYCNPNGILDHK-ZDUSSCGKSA-N 373.450 0.853 0 40 FCAB COc1ccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@H]3[C@H](O)[C@H]2NC(C)=O)cc1 4043164 HIJHNNAKJPQRND-WRQOLXDDSA-N 367.398 0.816 0 40 FCAB biogenic CC1(C)C(=O)NCCN1C(=O)CN1C(=O)N2CCN=C2c2ccccc21 12183016 SYXODNLHUIPLLH-UHFFFAOYSA-N 355.398 0.426 0 40 FCAB Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)O 15019904 IIJCFPXZSWNVNA-UHFFFAOYSA-N 356.429 0.958 0 40 FCAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCCC1 20769073 LIHGIZOYVCSDGR-UHFFFAOYSA-N 365.455 0.710 0 40 FCAB Cn1cc(/C=C/C(=O)NCc2ccc(N3CCCC3)nc2)c(=O)n(C)c1=O 30297129 AMBDIHGADWCJID-SOFGYWHQSA-N 369.425 0.409 0 40 FCAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2nnn(-c3cccs3)c2=O)C1 32869802 PHWJNPOZSDUFEZ-LLVKDONJSA-N 365.415 0.292 0 40 FCAB O=C(NCCCCN1CCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 32934763 QWCYIWCMBABADX-UHFFFAOYSA-N 352.460 0.476 0 40 FCAB O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)N1 54535489 JJTGNRQVOLVIPK-UHFFFAOYSA-N 361.782 0.842 0 40 FCAB CC[C@H](C)NC(=O)COC(=O)c1ccccc1NC(=O)Cn1cnnn1 58018911 GDKYHXAKNUORLU-NSHDSACASA-N 360.374 0.383 0 40 FCAB CNC(=O)CN1CC2(CCN(C)CC2)COc2ccccc2S1(=O)=O 96091316 DKRGUBNQZGMCBR-UHFFFAOYSA-N 367.471 0.528 0 40 FCAB O=C1CN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CCN1 100181130 XTULEOJPECGBEB-OOVWBHHBSA-N 369.421 0.900 0 40 FCAB COc1ccccc1CCNc1c(N2CCN(C(C)=O)CC2)c(=O)c1=O 101701755 XVMPMHGBHFHNOB-UHFFFAOYSA-N 357.410 0.614 0 40 FCAB Cn1ccnc1CN(C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C1CC1 103239578 QFIITHPCSLARTR-SYWGBEHUSA-N 354.410 0.718 0 40 FCAB O=C(N[C@@H]1C[C@H](O)[C@@H](CO)C1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 227607447 HLTHMYHYLYNXAR-ZSEWYUTFSA-N 352.818 0.941 0 40 FCAB COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCn3nccc3C2)c1 238877678 OLTRTVLVMGZRGQ-UHFFFAOYSA-N 351.384 0.883 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc(C)nc3)C2)CN1CC1CC1 248054697 BSTOHUHMEREWAV-INIZCTEOSA-N 358.442 0.441 0 40 FCAB CCCn1cc(Cl)c(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)n1 257211335 BYMYNWLKMDDZKY-MRXNPFEDSA-N 356.854 0.856 0 40 FCAB CN1CCOC[C@@]2(CC[C@H](CNS(=O)(=O)Cc3ccccc3)O2)C1 306126796 FFNICLWKPHLARB-IAGOWNOFSA-N 354.472 0.986 0 40 FCAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCc1cc(C(N)=O)co1)CC2 548333761 XNJPIEXYVGAOFL-KBPBESRZSA-N 351.403 0.840 0 40 FCAB CCN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(C(C)C)cc1 575421046 GJVJOTVBXCPUPQ-HUUCEWRRSA-N 361.485 0.979 0 40 FCAB CC(C)n1cnc(S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1 575609261 SXUSXGKCGDKILP-UHFFFAOYSA-N 370.431 0.003 0 40 FCAB CCCS(=O)(=O)N1Cc2cncn2[C@@H](C(=O)NCc2cccnc2)C1 585096029 NGCGRPCLYYPZCP-OAHLLOKOSA-N 363.443 0.691 0 40 FCAB O=C(C1=CCCC1)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 585103198 MWKVGBIWAWLENR-AWEZNQCLSA-N 363.439 0.981 0 40 FCAB C[C@H]1CCn2ncc(C(=O)N[C@@H]3CCN(c4ccc5nncn5n4)C3)c2C1 628726933 YAMZHVGPEZWMMG-QWHCGFSZSA-N 366.429 0.912 0 40 FCAB Cn1ccnc1[C@@]1(CNC(=O)c2cc3c(s2)CCCC3)NC(=O)NC1=O 1616035221 RYCSJXZHTILVDU-QGZVFWFLSA-N 373.438 0.825 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2cccnc2)CC1 2055782078 IBWJHYQYBAGIEU-UHFFFAOYSA-N 357.414 0.672 0 40 FCAB CCc1ccc(NC(=O)C[C@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 2330345 BJKTZXZWQIKSGV-GFCCVEGCSA-N 356.382 0.711 0 40 FCAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccncc2)c(=O)n(C)c1=O 2649500 BLUMILDWRQHCQT-UHFFFAOYSA-N 360.370 0.220 0 40 FCAB COc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1OC 4270178 QGBSYYZYIBWJPO-UHFFFAOYSA-N 369.399 0.210 0 40 FCAB Cc1cc2nc(N3CCOCC3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2cc1C 4830588 XXWBSWGLONZBPI-YVSFHVDLSA-N 363.414 0.101 0 40 FCAB CN(C(=O)CSc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 6097759 BHFWDKQDESZAEF-NSHDSACASA-N 358.489 0.742 0 40 FCAB Cc1nnc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1 6542590 DCQKZEKWAYMPRI-UHFFFAOYSA-N 372.497 0.945 0 40 FCAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@H]1CCS(=O)(=O)C1 9995230 LTKBHNLXODJYBF-QWRGUYRKSA-N 358.489 0.788 0 40 FCAB C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H](C)O1 14084926 PDTXPSSMUWEMIM-TXEJJXNPSA-N 362.473 0.735 0 40 FCAB CN(Cc1ccc(Cl)s1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15327295 WKTFMYOOUQYAFC-UHFFFAOYSA-N 363.848 0.620 0 40 FCAB Cc1c([C@@H]2CCCN(C(=O)Cn3cccnc3=O)C2)n2c(nc1=O)CCC2 19554825 HZTGKJWKLDSJOW-CQSZACIVSA-N 369.425 0.461 0 40 FCAB CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCOC)cc1 19820918 NVNNNSJXYGFCKZ-GJZGRUSLSA-N 361.485 0.424 0 40 FCAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(N)=O 39974779 ZYNRCNVXUTVQIN-BXKDBHETSA-N 353.400 0.167 0 40 FCAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCC(=O)N2CCCC2)c2ccccc21 40282955 LARYEHJQFUBHIM-INIZCTEOSA-N 372.425 0.338 0 40 FCAB O=C(c1cnn2cccnc12)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 72346945 LKMYESUEAHPPSQ-UHFFFAOYSA-N 365.397 0.611 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2ccccn2)C[C@@]2(CC(=O)N(C)C2)C1 96036115 QVWZGANULVUSSY-IBGZPJMESA-N 373.457 0.806 0 40 FCAB CS(=O)(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCCc2ccccn2)C1 96038830 WOTSHLSJVYDYOL-GDBMZVCRSA-N 353.444 0.181 0 40 FCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101720022 ALDGCRXKXYUJFW-JYJNAYRXSA-N 370.457 0.637 0 40 FCAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC 218143322 JIVZNEBULDJISC-YCPHGPKFSA-N 355.412 0.824 0 40 FCAB COc1nccnc1O[C@@H]1CCCN(C(=O)Cn2cnc(C)c(C)c2=O)C1 225494921 DWTKVPIOCGHPME-CQSZACIVSA-N 373.413 0.729 0 40 FCAB CNC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CCC(=O)N2[C@H]1c1ccc(OC)c(OC)c1 247959470 PVKXEZWIHBYMBF-KCXZSRPNSA-N 362.382 0.813 0 40 FCAB Cc1cc(O)nc([C@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257238588 HLROKVAKBDSGTR-OAHLLOKOSA-N 357.414 0.918 0 40 FCAB CCN(CC)S(=O)(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257265521 LYZSIDNCLPMPBB-SNVBAGLBSA-N 350.466 0.189 0 40 FCAB CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(F)cc2F)C1=O)[C@@H]1CCNC1 585086650 ABJMHMNONBQIIA-YPMHNXCESA-N 366.368 0.990 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2nn(C)cc2Br)C1 644032706 AQKWTAWOPMDJEI-ZDUSSCGKSA-N 359.224 0.286 0 40 FCAB CC(C)NC(=O)c1c2c(nn1C)CO[C@H](CNC(=O)[C@@H]1CCOC1)C2 1565545032 CDZVSBPFFVLXCH-NEPJUHHUSA-N 350.419 0.152 0 40 FCAB Cn1cccc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)c1=O 1565555595 KQMBANLZYUJJMV-UHFFFAOYSA-N 372.425 0.805 0 40 FCAB CCOCCS(=O)(=O)N1C[C@@H](C(=O)NC2CC2)[C@H](c2cn(C)cn2)C1 1614995827 JQXROMPJWBECBU-ZIAGYGMSSA-N 370.475 0.080 0 40 FCAB Cc1cc(CN2CCC(C(=O)N=c3ccn(C)[nH]3)(n3ccnc3)CC2)no1 2055713665 UQCXFYHTMDQEMM-UHFFFAOYSA-N 369.429 0.965 0 40 FCAB Cc1cnc(C(=O)N[C@H]2CCc3onc(CN4CCOCC4)c3C2)cn1 2055732753 YUSUUPLGOHEBQX-ZDUSSCGKSA-N 357.414 0.893 0 40 FCAB COCC(=O)N1CCOC[C@]2(C1)CN(c1ccc(OC)cc1)C(=O)CO2 2055798659 SGBRZTBDRACPDA-SFHVURJKSA-N 364.398 0.302 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(F)cc2)cc1 3442419 OHSOZKQFASUWMK-UHFFFAOYSA-N 365.386 0.519 0 40 FCAB Nc1nnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)s1 5636741 GLJUVGBYEZYHNY-UHFFFAOYSA-N 353.429 0.790 0 40 FCAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(N)=O 6464702 XQOVIISBWQAKRP-CMPLNLGQSA-N 360.457 0.504 0 40 FCAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 12366183 HHYOVBCGCUVLRH-CABCVRRESA-N 352.456 0.773 0 40 FCAB Cn1c(=O)c2c(nc(Nc3cccc(Cl)c3)n2CC(=O)O)n(C)c1=O 12443263 IOJLTWFWSCNAKT-UHFFFAOYSA-N 363.761 0.915 0 40 FCAB CS(=O)(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 21149391 UNGDBWBPQGCVTF-UHFFFAOYSA-N 356.839 0.393 0 40 FCAB CCOC(=O)C(NC(=O)c1cc(C)nc2c1c(C)nn2C)C(=O)OCC 25992402 ZBFLBNIUFIKYQH-UHFFFAOYSA-N 362.386 0.810 0 40 FCAB COCCn1c(C(=O)NCC(=O)N2CCCC2)nc2ccccc2c1=O 32071422 ROXFKCNBVDYXNC-UHFFFAOYSA-N 358.398 0.395 0 40 FCAB COc1cc(NC(=O)Cn2ccccc2=O)ccc1NS(C)(=O)=O 32818603 YZKUMOWIDGLPGJ-UHFFFAOYSA-N 351.384 0.867 0 40 FCAB CC(C)NC(=O)Nc1ccc(CNC(=O)N2CCO[C@H](C(N)=O)C2)cc1 51687675 BNWASXZKMPJQTK-AWEZNQCLSA-N 363.418 0.612 0 40 FCAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2)C1 53478021 FTORHZGCIZPECW-GOEBONIOSA-N 358.442 0.787 0 40 FCAB CCc1ccccc1NC(=O)CN1CCN(c2ccc3nnnn3n2)CC1 57369404 USRQQKJTZIJXIN-UHFFFAOYSA-N 366.429 0.842 0 40 FCAB CCn1ncnc1CN1CCc2nc(N)nc(N3CCOCC3)c2CC1 72424370 RQIODOXDULWMTA-UHFFFAOYSA-N 358.450 0.108 0 40 FCAB COC(=O)c1ccncc1C(=O)N1CCN(c2nccc(OC)n2)CC1 83984344 GZKJZMCMHAVPCE-UHFFFAOYSA-N 357.370 0.629 0 40 FCAB O=C1CO[C@]2(COCCN(CC3CCOCC3)C2)CN1c1cccnc1 96051355 OHZDOIALBUDOSS-IBGZPJMESA-N 361.442 0.942 0 40 FCAB CNC(=O)C1(N2CCC[C@H]2C(=O)N2CCN(C(C)=O)CC2)CCCCC1 96113075 GDCWIPSFDCQPFP-INIZCTEOSA-N 364.490 0.590 0 40 FCAB biogenic,in-vitro CCOC(=O)C1=NN[C@H]2C(=O)N(c3cc(C(C)=O)ccc3OC)C(=O)[C@H]12 100166175 TXIBPILFQLURGF-QWHCGFSZSA-N 359.338 0.278 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](Oc3cccnn3)C2)CC1 225454273 QIGGLSYEYIBNJW-AWEZNQCLSA-N 368.459 0.518 0 40 FCAB CN1C[C@H](C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)CC1=O 238882231 PLRZVTDBEUPDKR-LLVKDONJSA-N 356.411 0.947 0 40 FCAB Cc1cc(C(=O)N2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)cc(C)n1 247510496 IFPNOPRYMUTGLO-CQSZACIVSA-N 367.471 0.869 0 40 FCAB CNc1cc(N2CCC[C@@](O)(CNC(=O)c3ncccc3C)C2)ncn1 257213830 CJFYCNVCBIOHFV-GOSISDBHSA-N 356.430 0.983 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cccnc2N)CCN1CCc1ccccc1 257248319 JDCRIKDGIXSBLK-KRWDZBQOSA-N 367.453 0.779 0 40 FCAB CC(=O)N1CC2(CCN(C(=O)Cc3nonc3C)CC2)C[C@@]1(C)CO 257287885 PRWRXOOACYZZCB-INIZCTEOSA-N 350.419 0.533 0 40 FCAB Cc1nc2ncnn2c(N2CCN(c3ccnc(N(C)C)n3)CC2)c1C 301378130 XBXCWGIZXUPYQD-UHFFFAOYSA-N 353.434 0.924 0 40 FCAB O=C(CN1CCCN(S(=O)(=O)C2CC2)CC1)NCc1ccccc1 374830740 STHVRSVYMNXMGK-UHFFFAOYSA-N 351.472 0.803 0 40 FCAB Cc1c([C@@H]2[C@@H](C(=O)Nc3cc(C4CC4)n(C)n3)CC(=O)N2C)cnn1C 571132497 KRNRRROLXPNVTC-SJCJKPOMSA-N 356.430 1.498 0 40 FCAB CC(C)S(=O)(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CS2)C1 575402308 AAXYLPWLIQJLFO-CYBMUJFWSA-N 362.517 0.924 0 40 FCAB Cc1ccc(NC(=S)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575420082 FKDNJCHNMKWSMV-NWDGAFQWSA-N 358.441 0.236 0 40 FCAB C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1C(=O)C1CC(O)C1 585098630 VURKBDHYRDZANZ-HSBZDZAISA-N 357.414 0.796 0 40 FCAB CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCOCCN2)cc1 615489747 ZNVDFRFDEOIGGI-UHFFFAOYSA-N 357.432 0.579 0 40 FCAB CN(C)C(=O)C[C@]1(O)CCCN(Cc2cn(Cc3cccnc3)nn2)C1 643753266 BVGHXVGERHIFHI-GOSISDBHSA-N 358.446 0.527 0 40 FCAB CCc1nn(C)c(CC)c1CC(=O)N1CCC[C@](O)(CC(=O)NC)C1 644035754 XYXIUHYUGWNOEI-SFHVURJKSA-N 350.463 0.577 0 40 FCAB CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N=c1cc[nH]cc1Br 666491857 FTFKQWWVRDUIKP-UWVGGRQHSA-N 364.221 0.200 0 40 FCAB Cc1ccc(C(=O)N2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@H]3C2)o1 1549162194 OTCBUYICAULQDQ-CQSZACIVSA-N 359.382 0.856 0 40 FCAB CC1CC(C(=O)N2Cc3ncnn3C[C@@H](C(=O)N3CCN(C)CC3)C2)C1 1614935000 SNXCYDWZJXLHOU-NRXISQOPSA-N 360.462 0.057 0 40 FCAB C[C@]1(C(=O)N2CCn3c(nc(Cn4cncn4)cc3=O)C2)CC=CCC1 1614940197 IREIKZFVXWAMAB-SFHVURJKSA-N 354.414 0.972 0 40 FCAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)NC(C)C)C[C@H]4C3)ncnc21 1888883417 KZDAQAQYFGPJPI-OKILXGFUSA-N 373.461 0.959 0 40 FCAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)Cn2ccnn2)CC1 2055751055 CGVRTNAHBVDLMX-UHFFFAOYSA-N 356.430 0.840 0 40 FCAB COC(=O)C1=NN[C@]2(CC(=O)N(c3ccc(Br)cc3)C2=O)C1 1295225 IUMDKMYNJXFLFE-AWEZNQCLSA-N 366.171 0.974 0 40 FCAB COCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 2146518 UNCWSNXGNXWSGG-UHFFFAOYSA-N 350.824 0.732 0 40 FCAB O=C(C[C@H]1NC(=O)NC1=O)NC1(C(=O)NC2CCCC2)CCCCC1 2494370 KRDKRHMMTPZZEG-GFCCVEGCSA-N 350.419 0.462 0 40 FCAB O=C(c1cnccn1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 8242348 SQAVMGNSKRIHPY-UHFFFAOYSA-N 368.365 0.902 0 40 FCAB O=C(Nc1cccc(F)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12782205 SZKTWEAFNGDIIX-LBPRGKRZSA-N 353.375 0.930 0 40 FCAB Cn1nccc1CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 24650525 YGSNVXSNPBEIJG-UHFFFAOYSA-N 363.443 0.532 0 40 FCAB CNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 25067043 WTEXDSLUAQQBSE-UHFFFAOYSA-N 360.439 0.952 0 40 FCAB CC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ccc4nnc(C)n4n3)C2)CC1 32103103 MJOXFRLQFJGZCE-OAHLLOKOSA-N 371.445 0.340 0 40 FCAB CCC[C@@H](C)NC(=O)COC(=O)CN1C(=O)c2ccccc2S1(=O)=O 39977881 OJSDARRVKTZJND-LLVKDONJSA-N 368.411 0.679 0 40 FCAB Cn1nc(C(=O)N2CCN(c3cnccn3)CC2)c2ccccc2c1=O 40039614 LLJPAHCDJZANMD-UHFFFAOYSA-N 350.382 0.686 0 40 FCAB COc1cc(OC)c2cc(C(=O)NCCCS(N)(=O)=O)[nH]c2c1OC 40157605 PUEWXOXUUDPNLN-UHFFFAOYSA-N 371.415 0.602 0 40 FCAB O=C1CN(C(=O)CCC(=O)Nc2nnc([C@H]3CCCO3)s2)CCN1 40266515 IGOFKBPBMFPLMY-SECBINFHSA-N 353.404 0.067 0 40 FCAB C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)O 41058344 PFRDQQWWZMBLMY-GWCFXTLKSA-N 358.391 0.958 0 40 FCAB O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCN(c2ncccn2)CC1 56900999 HREOMBUJZZJVNK-UHFFFAOYSA-N 366.381 0.642 0 40 FCAB C[C@H]1CN(S(=O)(=O)CCNc2cncc(-n3cccn3)n2)C[C@@H](C)O1 69980378 UKGONCHCMSGCGX-BETUJISGSA-N 366.447 0.513 0 40 FCAB Cc1cc(S(=O)(=O)N(C)CC(=O)N2CCC(O)CC2)cnc1Cl 95461823 YFKGMBAZNYMPFU-UHFFFAOYSA-N 361.851 0.647 0 40 FCAB O=C(C1CC=CC1)N1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 96160797 JVCUVFSRDQSLBD-QFBILLFUSA-N 359.426 0.986 0 40 FCAB c1cnc(N2CC[C@@]3(COCc4cnc(N5CCOCC5)nc43)C2)nc1 96244153 NDAVSQOEOBLYLX-SFHVURJKSA-N 354.414 0.782 0 40 FCAB CCCS(=O)(=O)N1CCc2nc(N3CCOCC3)nc(N(C)C)c2C1 96254026 VBMCOVJHGYDEQA-UHFFFAOYSA-N 369.491 0.477 0 40 FCAB COc1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@@H]2COCCN2)c1 528054335 OHOXKMRAZWMELN-SNVBAGLBSA-N 354.350 0.981 0 40 FCAB O=C(c1ccc[n+]([O-])c1)N1CCC(n2nnc3ccsc3c2=O)CC1 575414520 JOORJCVRLUWIKI-UHFFFAOYSA-N 357.395 0.964 0 40 FCAB CCN(CC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575424629 UUSVBURNIAVOBO-OCCSQVGLSA-N 357.428 0.366 0 40 FCAB Cc1noc(COC2CN(C(=O)[C@H]3COCCN3C3CCCC3)C2)n1 644210951 WXDPFSVXINBLGV-OAHLLOKOSA-N 350.419 0.749 0 40 FCAB Cn1ccnc1S(=O)(=O)N1CCN(c2ncnc(C3CC3)c2F)CC1 1888859951 AKUCFTBMLXNBIR-UHFFFAOYSA-N 366.422 0.738 0 40 FCAB O=C(NCc1ccccc1F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 7754305 NAVNTDWCYCIVEG-GFCCVEGCSA-N 367.402 0.607 0 40 FCAB Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CCC(=O)O)c(C)c1 8549641 ZBBYEJNHOBGEKJ-AWEZNQCLSA-N 361.398 0.824 0 40 FCAB CCOc1ccc(OCCNC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 8735099 VGTDORLFRZWDLT-UHFFFAOYSA-N 371.397 0.724 0 40 FCAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)C(C)C)CC1 9570111 IOQBVUSKXCBZPZ-UHFFFAOYSA-N 369.487 0.919 0 40 FCAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1NC(C)=O 9751326 SFSDQCZTIFIRJP-UHFFFAOYSA-N 369.443 0.944 0 40 FCAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@@H]1C 14109096 NYSFHZPHRRJZSB-LLVKDONJSA-N 354.407 0.279 0 40 FCAB COCCCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 17171454 JLRQUGAAPXGZMJ-UHFFFAOYSA-N 370.471 0.793 0 40 FCAB CN(CCc1ccccn1)C(=O)C1CN(C(=O)c2ccc(=O)n(C)c2)C1 19745218 UAEGWUNTCYCEIH-UHFFFAOYSA-N 354.410 0.553 0 40 FCAB C[C@@H](CN1CCOCC1)C(=O)Nc1cnn(CC(=O)N2CCCCC2)c1 19746114 MLYASPQKNRJXBV-HNNXBMFYSA-N 363.462 0.802 0 40 FCAB Cc1cccc(C(=O)N2CCN(CCNC(=O)C(=O)NC(C)C)CC2)c1 19831415 LPZHAMYDHIKDNH-UHFFFAOYSA-N 360.458 0.394 0 40 FCAB CN(CC(=O)NC(C)(C)C)C(=O)NCc1cccnc1N1CCOCC1 26386688 OMICOTVNBNAKCY-UHFFFAOYSA-N 363.462 0.974 0 40 FCAB COCCCNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2O)CC1 40039592 PPDPUDQRQNRJEB-UHFFFAOYSA-N 369.849 0.956 0 40 FCAB NC(=O)C(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)=O 42788591 XWSZTTYMASDKIZ-UHFFFAOYSA-N 357.210 0.793 0 40 FCAB COCCNC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428732 CNKDUZUHEHTLIX-UHFFFAOYSA-N 359.407 0.977 0 40 FCAB C[C@H]1CN([C@@H](C)CNC(=O)N2CCN(c3ncccn3)CC2)C[C@@H](C)O1 58324028 VKMGOJPDLGYVRD-HRCADAONSA-N 362.478 0.806 0 40 FCAB CCCCNC(=O)[C@H]1C[C@@H](c2cn(CC)nc2C)NS(=O)(=O)N1C 72335024 KIUKFGHKNBBYAF-UONOGXRCSA-N 357.480 0.707 0 40 FCAB Cc1ccc(C(=O)N2CCN(c3ncccc3S(N)(=O)=O)CC2)cc1 78674436 CVLDZEWJKAHBCE-UHFFFAOYSA-N 360.439 1.000 0 40 FCAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)c1ccnnc1)CC2 96059494 KSSDVJOBCOSLTG-UHFFFAOYSA-N 365.397 0.598 0 40 FCAB COCCN1CCOC[C@]2(CC[C@H](CNC(=O)c3ccnnc3)O2)C1 96063496 FRXVCEOXQZVENY-WBVHZDCISA-N 350.419 0.103 0 40 FCAB Cn1cnc(S(=O)(=O)N2CCC[C@]3(C[C@H](n4cnnc4)CO3)C2)c1 96073846 KMMPEWNMMAXQGV-JSGCOSHPSA-N 352.420 0.197 0 40 FCAB O=C(NCCn1cccn1)c1ccnc(C(=O)NCCn2cccn2)c1 97010855 SNAYPQULYBSEMH-UHFFFAOYSA-N 353.386 0.335 0 40 FCAB CS(=O)(=O)CC(=O)N1Cc2cncn2[C@H](COCC2CCOCC2)C1 247525121 MVCUJMQOUPOMBV-HNNXBMFYSA-N 371.459 0.254 0 40 FCAB Cn1ccc(C(=O)N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)n1 248118822 JJZZJHWVJFOJLB-CYBMUJFWSA-N 353.444 0.476 0 40 FCAB O=C(c1ccncc1)N1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1 306142205 WSXKEZGAXHOWPX-GJZGRUSLSA-N 367.409 0.470 0 40 FCAB CCCNC(=O)CN1CCC(NC(=O)N[C@H](C)[C@H](CO)SC)CC1 524837216 DHTFGFWBBKAIIY-OCCSQVGLSA-N 360.524 0.389 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)[C@@H]5CCCO5)C[C@H]4C3)nn12 1888870110 RVZSXPACQXMPRY-MJBXVCDLSA-N 356.430 0.760 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055773062 QJTDYTYECZFIDE-UHFFFAOYSA-N 354.354 0.312 0 40 FCAB COC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1579894 TXPSDTDXSCHBJF-ZIAGYGMSSA-N 366.414 0.773 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)N2CCC(c3ccccc3)=N2)n(C)c1=O 5117886 FBXOGZGDIHALJE-UHFFFAOYSA-N 366.381 0.070 0 40 FCAB COC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5218803 WINVLSRAHTVPDR-JDNHERCYSA-N 355.341 0.883 0 40 FCAB Cc1nc2sccn2c(=O)c1NC(=O)c1ccc(S(N)(=O)=O)cc1 8931679 MFNPTBXHHMJAQY-UHFFFAOYSA-N 364.408 0.964 0 40 FCAB CC(=O)Cn1c(CN2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 13115476 LYRLWQRDYNGJHD-VXGBXAGGSA-N 361.446 0.501 0 40 FCAB CCn1c(=O)n(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c2ccccc21 14145598 BJOWERZHTWZBNF-LBPRGKRZSA-N 351.428 0.468 0 40 FCAB CCC(=O)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164380 TVGNXJGOZJNLJE-MRXNPFEDSA-N 358.442 0.462 0 40 FCAB CCn1cc(S(=O)(=O)N2CCC3(CC2)C[C@H](NC(C)=O)CN3)c(C)n1 19704260 PJAABLOWVCRRPQ-AWEZNQCLSA-N 369.491 0.233 0 40 FCAB CC(C)NC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 23109739 ZFOKDXJOTGEYRQ-CQSZACIVSA-N 353.444 0.481 0 40 FCAB O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1C1CC1 24992420 XUWZANWXADAUSL-HNNXBMFYSA-N 357.410 0.823 0 40 FCAB O=C(Cn1cccnc1=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 25008991 NFRBYESEKBHNMD-UHFFFAOYSA-N 362.336 0.506 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCc2ccnc(N3CCCC3)c2)CC1 29558908 XAVYHCSLZFBBAM-UHFFFAOYSA-N 366.487 0.970 0 40 FCAB Cc1nnc2ccc(N3CCC[C@H](C(=O)NCCN4CCOCC4)C3)nn12 31808232 OJZPLJUKHCURKH-HNNXBMFYSA-N 373.461 0.098 0 40 FCAB CN1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 38858548 HYLMRZMEORLJHU-AWEZNQCLSA-N 373.862 0.641 0 40 FCAB COc1cccc(C[C@H](C(=O)NCCCn2cncn2)n2nnnc2C)c1 48291057 NULZUJWZWCCAFI-MRXNPFEDSA-N 370.417 0.572 0 40 FCAB CN(C(=O)CN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 57388129 MEPLJGYIUJIVJI-MRXNPFEDSA-N 351.472 0.454 0 40 FCAB CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCS(=O)(=O)CC1 57442489 HZJBWCSWEVSYRA-UHFFFAOYSA-N 367.471 0.741 0 40 FCAB CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)CC1 66311468 NLPDTHWSSZAUJV-HIFRSBDPSA-N 362.492 0.891 0 40 FCAB COC(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 89340035 OZTLEEMBKNUGNG-UHFFFAOYSA-N 357.356 0.476 0 40 FCAB COc1ccnc(N2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n1 95401439 LOEYAGORLRNMOA-HNNXBMFYSA-N 371.445 0.536 0 40 FCAB CCS(=O)(=O)N1CCC2(CC1)CN(C(C)=O)C[C@@]21CCN(C)C1=O 96036406 VFJWTSIPKZVFDO-MRXNPFEDSA-N 357.476 0.129 0 40 FCAB CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)N1CCOCC1 96113008 GZOQHJSCUWHXNF-DLBZAZTESA-N 361.442 0.806 0 40 FCAB biogenic,in-vitro CCc1ccc(CN2C[C@@H]3C[C@@H](C(=O)NC)N(S(C)(=O)=O)[C@@H]3C2)o1 96182832 ALUNAKPTNGWDIY-TUKIKUTGSA-N 355.460 0.422 0 40 FCAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CNS(=O)(=O)C3CC3)C2)n1 96207750 AOHJUDMOCLFQHE-PBHICJAKSA-N 351.472 0.920 0 40 FCAB CN(C)C(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(c1ccncn1)C2 96251160 MZFDCCDOAMHLAA-RDTXWAMCSA-N 353.430 0.830 0 40 FCAB Nc1nn2c(=O)cc(CSc3nnnn3-c3cccc(F)c3)nc2[nH]1 103936861 XAUZXJVPTISFFV-UHFFFAOYSA-N 359.350 0.407 0 40 FCAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)n1 225406349 VOEGLJXNGMSTMW-GFCCVEGCSA-N 358.402 0.815 0 40 FCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)[C@H]2C[C@@H]2C)C3)n1 306134110 NDRFZQHXNNABTM-UBHSHLNASA-N 365.455 0.836 0 40 FCAB COc1cccc(N2CCN(C(=O)CCC(=O)N3CCNC(=O)C3)CC2)c1 604418833 JCJKKEPCBPZXAE-UHFFFAOYSA-N 374.441 0.082 0 40 FCAB Cc1cnn(C)c1S(=O)(=O)NC[C@@H]1CCCO[C@H]1c1ccnn1C 657200650 MXIGXXJHNILHRO-GXTWGEPZSA-N 353.448 0.908 0 40 FCAB CCc1nc(C2CCN(C(=O)c3nnn([C@@H]4CCNC4)c3C)CC2)n[nH]1 662543535 VPEYRHSAWVKOKR-CYBMUJFWSA-N 358.450 0.821 0 40 FCAB O=C(Cn1ccccc1=O)N1CCCn2nnc(Cn3cccn3)c2C1 1565549219 OJOZEZBUWQEBFS-UHFFFAOYSA-N 353.386 0.117 0 40 FCAB C[C@H]1CN(C(=O)CN2CCN(c3nccc(N(C)C)n3)CC2)C[C@H](C)O1 2086884733 QOPCFUOJFWARAL-GJZGRUSLSA-N 362.478 0.300 0 40 FCAB CCOc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc1 810494 CLRWSKFAASZLCC-UHFFFAOYSA-N 357.370 0.471 0 40 FCAB COc1cc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc(OC)c1 1004725 VJMZSGQOLPKXBR-UHFFFAOYSA-N 373.369 0.090 0 40 FCAB CN(C(=O)CSc1nnnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 5652127 JFZLLQRWIHSTQR-LBPRGKRZSA-N 367.456 0.400 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@@H]1CCOC1=O 6510111 FWGDWTUUQUFXHQ-CQSZACIVSA-N 369.395 0.488 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c1 8380021 BDJGOCVSFFCDPA-AWEZNQCLSA-N 365.455 0.415 0 40 FCAB CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 8993182 XKEBOOGSTGQKKM-CHWSQXEVSA-N 371.459 0.989 0 40 FCAB O=C(CSc1nnc(N2CCOCC2)n1C1CC1)N1CCOCC1 11772086 XKWKTQQALDMYDH-UHFFFAOYSA-N 353.448 0.401 0 40 FCAB CN1CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]2C1=O 14749493 UOSPQLBDVAGKNL-GFCCVEGCSA-N 357.819 0.014 0 40 FCAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N2CCN(C)CC2)no1 21156678 NIGBEIGNIUJWAK-HNNXBMFYSA-N 374.445 0.365 0 40 FCAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCCCn1cccn1 30169175 JFEHOIRYDVUVRS-UHFFFAOYSA-N 369.425 0.946 0 40 FCAB CCCNC(=O)CN1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 32731552 KWCWSANEKDWNGX-UHFFFAOYSA-N 357.414 0.207 0 40 FCAB COC(=O)c1sccc1S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 42384439 JHHTYHLPKRJNAL-MRVPVSSYSA-N 353.443 0.248 0 40 FCAB CNC(=O)C1CCC(NC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 51300269 YQKHFKHEZQJEIO-JVWICGRDSA-N 350.463 0.991 0 40 FCAB C[C@H](Cc1ccccc1Cl)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 56064205 BCTMFSYVUFQLDZ-SNVBAGLBSA-N 371.846 0.647 0 40 FCAB Cc1nonc1C(=O)NCC(=O)N1CCC(O)(c2cccnc2F)CC1 72340048 LSERJMWWUHVADN-UHFFFAOYSA-N 363.349 0.152 0 40 FCAB CC[C@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CCN1CC(F)F 95980272 NYWLNZLZHSZFMK-RYUDHWBXSA-N 353.435 0.598 0 40 FCAB COc1cccc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 95999058 AGUVCDCSMHWQGG-ZDUSSCGKSA-N 369.443 0.357 0 40 FCAB O=C(c1cnccn1)N1CCC[C@@]2(CCN(S(=O)(=O)C3CC3)C2)C1 96047104 UVXSNEDDUDLYPU-MRXNPFEDSA-N 350.444 0.897 0 40 FCAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)CN3CCCCC3)[C@H](O)[C@H]2O)c1 257330007 XMJWEGRVHOWOEQ-FPAYPSAMSA-N 364.442 0.539 0 40 FCAB CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@H]2CN(C)S3(=O)=O)cc1 260834506 MPZYLYXZFASIEX-MEDUHNTESA-N 368.411 0.601 0 40 FCAB CCOc1ncccc1C(=O)N1CC[C@@H](N(C)Cc2cc(O)nc(N)n2)C1 504535550 BUZYGEKUVWJPMM-CYBMUJFWSA-N 372.429 0.905 0 40 FCAB O=C(NC1CC(F)(F)C1)[C@H]1CN(C(=O)c2cnccn2)Cc2ccnn21 575403942 JCUHHGCWPBDPPN-CYBMUJFWSA-N 362.340 0.784 0 40 FCAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCNCC2(F)F)C1 579222422 OTJTVSNFBANRHX-GRYCIOLGSA-N 353.435 0.886 0 40 FCAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1c(OC)cccc1OC 643971190 BNSAKJQUJBMAQC-OAHLLOKOSA-N 359.400 0.958 0 40 FCAB CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2ccccc2F)CC1 1888897836 GPNSMQDGCPLGOS-UHFFFAOYSA-N 373.450 0.839 0 40 FCAB Cc1nc(N2C[C@H]3CN(c4ncnc5c4cnn5C)C[C@@H]3C2)nc(O)c1F 1888901076 WXVKDDZVOULBMW-GHMZBOCLSA-N 370.392 0.879 0 40 FCAB COc1cc(/C=c2\sc3nc(=O)c(C)nn3c2=O)cc(OC)c1OC 1036588 IUBZRVSCYTYICA-GHXNOFRVSA-N 361.379 0.393 0 40 FCAB CCCCc1nc(SCC(=O)NC)c2c(=O)n(C)c(=O)n(C)c2n1 5056510 JTZQXVPGFISCSC-UHFFFAOYSA-N 351.432 0.208 0 40 FCAB CCCNC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 5689130 SXKFNHISESPQMT-UHFFFAOYSA-N 359.473 0.721 0 40 FCAB O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCc2ccccc21 6087887 KYDIITFRKCTINE-ZDUSSCGKSA-N 361.423 0.741 0 40 FCAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)O 6645517 AFRGIWICJULDKF-QWRGUYRKSA-N 358.391 0.816 0 40 FCAB C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OCC(N)=O)c(OCC)c2)C1=O 6960660 YJZCYJQCORJLMH-XYOKQWHBSA-N 373.365 0.597 0 40 FCAB COc1ccc(S(=O)(=O)Nc2ncc([C@H](N)CC(=O)O)cn2)cc1 8701478 ZQFJZXGMAIMJIN-GFCCVEGCSA-N 352.372 0.761 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc3c1CCCC3)c(=O)n2C 9156583 HPMVKYNOXTWTIW-UHFFFAOYSA-N 367.409 0.951 0 40 FCAB CC1=NN(CCNc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 10108761 CLMWABURKFMPHT-UHFFFAOYSA-N 367.413 0.742 0 40 FCAB COCCNC(=S)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 13040280 HWWQXYWARIPRKH-OAHLLOKOSA-N 352.416 0.488 0 40 FCAB COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580547 WIWIKIMAEQGQBW-LBPRGKRZSA-N 374.434 0.998 0 40 FCAB COc1ccccc1C(=O)O[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 14075742 IMBREWUPALHEOY-SECBINFHSA-N 361.354 0.103 0 40 FCAB COc1ccc(C)cc1[C@H](C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15331924 AYJZOGFXIIBWJM-NSHDSACASA-N 367.427 0.441 0 40 FCAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1c(F)cccc1F 22913692 CNBAZIWFUGUXAS-UHFFFAOYSA-N 352.385 0.800 0 40 FCAB Cc1cccc2nc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cn12 24573880 BYYCUFAKKOZNKY-AWEZNQCLSA-N 362.455 0.588 0 40 FCAB CN(CC(=O)Nc1ccc(-n2cncn2)nc1)S(=O)(=O)c1ccccc1 24920999 BXJGVUXZTBKJMD-UHFFFAOYSA-N 372.410 0.922 0 40 FCAB CCOc1ccc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)OC)cc1 25020428 RXHAMXNBWNQZTH-CQSZACIVSA-N 350.371 0.354 0 40 FCAB COc1ccccc1[C@H](CNC(=O)Cn1nc2ccccn2c1=O)N(C)C 40087917 SOSKNYUMCVOWJY-HNNXBMFYSA-N 369.425 0.924 0 40 FCAB S=C(NCCN1CCN(c2ncccn2)CC1)NC[C@@H]1CCCO1 44241801 BJJHRIYZBOWXRA-AWEZNQCLSA-N 350.492 0.242 0 40 FCAB O=C(N[C@H]1CCCCNC1=O)c1cccc(S(=O)(=O)NCC2CC2)c1 48103983 FNPXNSGSGJFPKU-HNNXBMFYSA-N 365.455 0.773 0 40 FCAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)on2)C1 48332769 NJDBNUYYAZGRPW-GFCCVEGCSA-N 350.400 0.890 0 40 FCAB C/C=C/Cn1c(=O)c2c(nc(Br)n2CC(C)=O)n(C)c1=O 64870374 GQWOEUJACCOVOP-SNAWJCMRSA-N 355.192 0.824 0 40 FCAB Cc1noc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)n1 70655679 CRBIPZDMLBZGQC-UHFFFAOYSA-N 365.415 0.490 0 40 FCAB Cc1ncoc1C(=O)N1CCC2(CCOC[C@@H]2NS(C)(=O)=O)CC1 96219314 PCBLXJFWTSKXJJ-LBPRGKRZSA-N 357.432 0.544 0 40 FCAB COc1ccc(N2CCC[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C2)nn1 96223188 YZSPDOPMXKVTKT-VXGBXAGGSA-N 354.432 0.005 0 40 FCAB Cc1cc(N2CCC[C@H](NS(=O)(=O)C[C@H]3CCCCO3)C2=O)n(C)n1 97010010 WJOTYVAJBPCSPO-KGLIPLIRSA-N 370.475 0.712 0 40 FCAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)cn1 97012939 OKOYHSXTBQGCAL-CQSZACIVSA-N 363.399 0.352 0 40 FCAB O=C(O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1N1CCOCC1 217634557 NWCCWXQOHBOCIV-GFCCVEGCSA-N 370.427 0.679 0 40 FCAB COc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN(C)C)c2=O)cc1Cl 222675151 DICUQRZQKWSGRQ-UHFFFAOYSA-N 353.762 0.948 0 40 FCAB Cc1nn(C)cc1C(=O)N1CCOC[C@H]1c1[nH]ncc1S(C)(=O)=O 257226743 FLYBNRPUFLEODN-NSHDSACASA-N 353.404 0.069 0 40 FCAB CO[C@@H]1CN(CC(=O)Nc2ccc3c(c2)oc(=O)n3C)C[C@]12CCCO2 257255529 KHVGRCMJWKEGHV-CRAIPNDOSA-N 361.398 0.950 0 40 FCAB CCCn1cc(S(=O)(=O)N2C[C@H]3CNCC[C@@]3(NC(C)=O)C2)c(C)n1 257317332 VJINIDGYAXTLDR-GDBMZVCRSA-N 369.491 0.090 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 257329048 XIEHUEZEHMBSIV-IRXDYDNUSA-N 353.488 0.894 0 40 FCAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3cncnc3)CC2)cn1 257332854 XYZIIFYTOBKZKI-UHFFFAOYSA-N 354.414 0.998 0 40 FCAB C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)n1nc(C2CC2)ccc1=O 575605815 AEKOGOUGPSSANR-CJNGLKHVSA-N 374.441 0.532 0 40 FCAB COc1cc(OC)c(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)cc1Cl 580624405 YZDLTHOUSWRXQJ-NSHDSACASA-N 365.791 0.831 0 40 FCAB C[C@@H]1OCCN(C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)[C@@H]1C(F)(F)F 622985117 LSZQPIOEIPZRPW-GIACCSKYSA-N 372.343 0.972 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1 1542551152 QSKWDCUMQFOYTL-UHFFFAOYSA-N 367.427 0.624 0 40 FCAB CN(Cc1cccc(C(N)=O)c1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1nccn1C 1615588340 CVSKJCAYGCHHPU-HOCLYGCPSA-N 369.425 0.697 0 40 FCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccc2c(c1)OCO2 2620545 FSTWBRCWNPDYLJ-UHFFFAOYSA-N 353.334 0.735 0 40 FCAB CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1CCOC 5015827 VLXUDUDVNUEUIR-UHFFFAOYSA-N 350.400 0.591 0 40 FCAB CNC(=O)[C@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)c2ccccc2O1 7255469 YCUZCAFYNYTFTL-LLVKDONJSA-N 374.319 0.388 0 40 FCAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc[n+]([O-])cc1 7814366 SMKJDOCCDJGZAF-UHFFFAOYSA-N 363.395 0.593 0 40 FCAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2nnc3ccccn23)cc1 9365512 QGAVTRXXCGWPIY-UHFFFAOYSA-N 373.438 0.751 0 40 FCAB CC[C@@H](C)NC(=O)CN(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430882 IJCADYAXMRBZBQ-CYBMUJFWSA-N 373.457 0.908 0 40 FCAB Cc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c(C)c1 13647755 DRFLPPYQNIGMLQ-UHFFFAOYSA-N 353.444 0.370 0 40 FCAB CCOC(=O)[C@@H]1CCCN(c2c(C)cnc3c2c(=O)n(C)c(=O)n3C)C1 22767635 XYUXXQBTDFNLHV-GFCCVEGCSA-N 360.414 0.720 0 40 FCAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccco2)NC(=O)N[C@H]1C 22862658 RXTWGKCKEUNSQN-VIFPVBQESA-N 365.342 0.071 0 40 FCAB C[C@H](C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O 48123665 HJECKUUUNQJFHZ-CYBMUJFWSA-N 357.451 0.497 0 40 FCAB Cc1cc(S(=O)(=O)N2CCN(CCC(=O)NC(N)=O)CC2)c(C)s1 58181294 ZALJMSRQHUZERJ-UHFFFAOYSA-N 374.488 0.256 0 40 FCAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCN(c2ncccn2)CC1 85472786 PGUTZQXPSGDNAV-CQSZACIVSA-N 359.430 0.153 0 40 FCAB Cc1cc(OC2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)cc(=O)o1 206958233 FCWJRIVBBOIHJP-UHFFFAOYSA-N 370.427 0.209 0 40 FCAB CCN1CCN(C(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)C(=O)C1=O 245180671 ZFTRXJUWZLABGT-OAHLLOKOSA-N 358.398 0.612 0 40 FCAB Cc1ccnc(C(=O)N2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)c1 247841078 PZUTXYCPAOHVDB-ZDUSSCGKSA-N 353.444 0.560 0 40 FCAB Cc1ncoc1C(=O)N1Cc2ccnn2C[C@@H](CNS(C)(=O)=O)C1 248043008 PLEMMFOPODJQNT-NSHDSACASA-N 353.404 0.001 0 40 FCAB CNS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3ccccc3)n2)CC1 296223055 FVIZHNUJFCEJKT-UHFFFAOYSA-N 364.431 0.486 0 40 FCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](CCNC(=O)N(C)C)C1 306140675 VAJLSLKEAKQUDM-ZDUSSCGKSA-N 357.480 0.336 0 40 FCAB O=C(C1CCCC1)N1CC(S(=O)(=O)NCC2(C(=O)O)CCOCC2)C1 547891299 VNFTVUWGOOUURR-UHFFFAOYSA-N 374.459 0.188 0 40 FCAB COc1cc(S(=O)(=O)N2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)ccc1F 657145910 UEKNTUKMPMCMOZ-IINYFYTJSA-N 356.379 0.756 0 40 FCAB O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CCCN1c1ncccn1 673833248 AHNQSCYYWAACMQ-AWEZNQCLSA-N 350.386 0.738 0 40 FCAB Cc1cnc(C(=O)N[C@H]2CCc3onc(CN4CC[C@@H](O)C4)c3C2)cn1 2055731542 CAMIDNUPUGNDLY-QWHCGFSZSA-N 357.414 0.627 0 40 FCAB CCOCCn1c(CN2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4385791 YIJSVFFSXMHTSE-CYBMUJFWSA-N 363.462 0.702 0 40 FCAB CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1 4454228 GKSMLSLZNNGNIE-GFCCVEGCSA-N 373.413 0.305 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCO)C2)cc1 4813786 DLJJXGWFXYJYLG-CQSZACIVSA-N 370.471 0.985 0 40 FCAB O=C(c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1)N1CCOCC1 12030095 JXTMOHBKNXENKY-CQSZACIVSA-N 373.452 0.120 0 40 FCAB C[C@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H](C)O1 12542312 AKMQZMBNPQVKHY-BETUJISGSA-N 355.460 0.985 0 40 FCAB COc1ccc(CNC(=O)Cn2nnn(-c3ccccc3)c2=O)cc1OC 12994625 JZNSQSNCAIKBGQ-UHFFFAOYSA-N 369.381 0.763 0 40 FCAB CC(C)C(=O)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164394 WIBYOJPHPSFOMY-QGZVFWFLSA-N 372.469 0.708 0 40 FCAB COCCNC(=O)CCc1csc(NC(=O)c2ccc[nH]c2=O)n1 21689642 AUAMIGATWJGUJA-UHFFFAOYSA-N 350.400 0.779 0 40 FCAB O=C(c1ccccc1)N1CCN(C(=S)NCCN2CCOCC2)CC1 21866099 GTOLUDJJWQGBSW-UHFFFAOYSA-N 362.499 0.651 0 40 FCAB O=C1CN(CC(=O)N2CCN(c3ncccn3)CC2)c2ccccc2O1 31846047 VPNSKBPFLXXGSS-UHFFFAOYSA-N 353.382 0.551 0 40 FCAB CCN(CC(=O)NC)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 48219199 NKECEKFHCYKOQH-UHFFFAOYSA-N 353.444 0.583 0 40 FCAB CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1 49181271 QOLJILMTPKQQQA-JGMJVPOWSA-N 374.474 0.469 0 40 FCAB biogenic,in-vitro O=C(Cc1ccc(-n2cccn2)cc1)NCCN1CCS(=O)(=O)CC1 69878501 MWQPEGSMDCVUAE-UHFFFAOYSA-N 362.455 0.261 0 40 FCAB Cc1cc(N2CCN([C@@H]3CCCN(C(C)C)C3=O)CC2)n2ncnc2n1 95963668 KMHIXEIWDLRPAU-OAHLLOKOSA-N 357.462 0.954 0 40 FCAB CS(=O)(=O)N[C@H]1COCCC12CCN(C(=O)c1cscn1)CC2 96220373 PLBRDBPWVATOEA-LBPRGKRZSA-N 359.473 0.704 0 40 FCAB CNC(=O)C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2ccnn21 247975647 WALVHVYHYGZXTO-CYBMUJFWSA-N 356.382 0.988 0 40 FCAB Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)c1 253471790 FRUQWADVWPGWBX-VNQPRFMTSA-N 368.455 0.726 0 40 FCAB Cc1ccoc1C(=O)N1Cc2ccnn2C[C@H](CCNS(C)(=O)=O)C1 253479045 OJCRRVYMCWGSGH-CYBMUJFWSA-N 366.443 0.996 0 40 FCAB CCCn1cc(CN2CCOC[C@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257296993 RFHUAXOSZAQGKY-ZDUSSCGKSA-N 353.448 0.993 0 40 FCAB Cc1nnc(CC(=O)N2C[C@]3(F)CN(CC4CC4)C(=O)[C@]3(F)C2)s1 306141185 VNTFJBKGRGUEHT-HUUCEWRRSA-N 356.398 0.900 0 40 FCAB Cc1ccc(S(C)(=O)=O)c(NC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1 585083775 KTKMEPXJGNLRQR-QWHCGFSZSA-N 354.428 0.973 0 40 FCAB O=S1(=O)CC[C@@H](COc2ncccn2)C12CN(Cc1ccncc1)C2 585104319 YQMLUVOJNATABN-HNNXBMFYSA-N 360.439 0.940 0 40 FCAB Cc1ccc(NC(=O)C(=O)NC[C@]2(OCCO)CCOC2)cc1Cl 658414166 MLWJMNHLZFXFTR-MRXNPFEDSA-N 356.806 0.871 0 40 FCAB N[C@@H](C(=O)N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(F)cc1F 662733537 LKYDCSTYOYQWPN-WMLDXEAASA-N 368.428 0.487 0 40 FCAB COC(=O)c1cc2c(nc1C)CCN(C(=O)Cn1ccccc1=O)CC2 1565551238 KTHKIMWHIBLFAG-UHFFFAOYSA-N 355.394 0.966 0 40 FCAB COc1ccc(NC(=O)C2(NC(=O)Cn3nnnc3N)CCCCC2)cc1 720278 GQFUEGKHMIPSMG-UHFFFAOYSA-N 373.417 0.722 0 40 FCAB CCN(C(=O)COC(=O)c1cccc(C)c1N)[C@@H]1CCS(=O)(=O)C1 7307649 WSPMLCQXUGPAJW-GFCCVEGCSA-N 354.428 0.770 0 40 FCAB CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 7425835 YDNAIIGEYHZTNY-GFCCVEGCSA-N 373.413 0.685 0 40 FCAB Cc1cc(NC(=O)C(=O)NCCC(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039807 QXRZOCNNJCZQMS-UHFFFAOYSA-N 372.429 0.854 0 40 FCAB CS(=O)(=O)Cc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1 12897995 QBDYUMIXFWYIBR-UHFFFAOYSA-N 353.425 0.968 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C 14112353 PGLNPVRJYDTBLP-UHFFFAOYSA-N 351.472 0.888 0 40 FCAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1C[C@H](C)O[C@@H](C)C1 20062061 QQDMGXPXGWRXQV-QWRGUYRKSA-N 374.445 0.402 0 40 FCAB CNC(=O)[C@H]1CCCCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 32824020 FVOQCZPDMHVYMI-CQSZACIVSA-N 368.384 0.620 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 35301219 PUISBUSXSKVQOM-UHFFFAOYSA-N 372.466 0.968 0 40 FCAB COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@@H]2SC1(C)C 39340165 JYVSRPXYJNDSQP-IPYPFGDCSA-N 364.423 0.786 0 40 FCAB CCC(CC)[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCOCC1 47595264 RAZZXXCUSHGDLK-CABCVRRESA-N 361.508 0.610 0 40 FCAB O=C(NCc1ccc(-n2cncn2)nc1)[C@H]1CCCN(c2cnccn2)C1 48326173 VOLOYYIPGMNNOL-HNNXBMFYSA-N 364.413 0.985 0 40 FCAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 58408464 FGJUXXPTZMZKGG-NSHDSACASA-N 373.388 0.792 0 40 FCAB CNC(=O)CN1CCN(C(=O)c2ccc(OC)c(OC(F)F)c2)CC1 75572680 NTCHYZPTRGLPEW-UHFFFAOYSA-N 357.357 0.800 0 40 FCAB CCc1ncc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)s1 95998874 VSXZIQHGRCZVPL-GFCCVEGCSA-N 373.500 0.972 0 40 FCAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCO 217463132 DGIROCBADINOEG-UHFFFAOYSA-N 360.432 0.884 0 40 FCAB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3cnnn3C)CC2)s1 330033847 ANTIIFLXWBSIPK-UHFFFAOYSA-N 369.472 0.768 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 585095374 SJBDHUZCXHDKBA-OAHLLOKOSA-N 370.475 0.522 0 40 FCAB CN1CC[C@H](C(=O)NCCc2cc(C(F)(F)F)ccn2)S1(=O)=O 648402538 PVBVCNPWKZMBBS-LLVKDONJSA-N 351.350 0.793 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 1251071323 JIIDMEDCFMOANM-INIZCTEOSA-N 352.460 0.703 0 40 FCAB CC(=O)N1CC2(CCN(C(=O)[C@@H]3CCOC3)CC2)[C@]2(CCN(C)C2=O)C1 1565556457 JJVDTWXRXUVGTB-DNVCBOLYSA-N 363.458 0.342 0 40 FCAB COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OC)CO[C@H]23)c1 3841712 KPHPYTABFOEWKH-REWJHTLYSA-N 352.412 0.941 0 40 FCAB biogenic,in-vitro O=C(CSc1nnc(CNC(=O)c2ccco2)o1)NC[C@@H]1CCCO1 4265761 WRRHPOWHQMQMCM-JTQLQIEISA-N 366.399 0.980 0 40 FCAB COCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)c1ccccc1 4314874 OSEMVSATZGOISD-UHFFFAOYSA-N 357.370 0.365 0 40 FCAB COc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 6054407 ZUPBDPAEAKUMGX-WXJAXGNASA-N 353.396 0.555 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc4nnnn4n3)CC2)c1 8724772 JRPQPLGMXXUBJK-UHFFFAOYSA-N 373.442 0.647 0 40 FCAB COc1ccc(N[C@@H](C)C(=O)NC(=O)NC2CC2)cc1NS(C)(=O)=O 30026604 HXKRPOCGFVJTCQ-VIFPVBQESA-N 370.431 0.855 0 40 FCAB C[C@H](Sc1nnc(CCC(N)=O)n1C1CC1)C(=O)NC(=O)NC1CC1 32895036 IHQXYXHDTKPNPK-QMMMGPOBSA-N 366.447 0.500 0 40 FCAB Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)O)O[C@H](C)C(=O)N2 32917127 GGQWMODILPLPKW-MWLCHTKSSA-N 354.384 0.952 0 40 FCAB COc1ccc(CCNS(=O)(=O)c2cnc(O)[nH]c2=O)cc1OC 33327118 SIYJDQKBTDSRML-UHFFFAOYSA-N 355.372 0.014 0 40 FCAB CS(=O)(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccc(Cl)cc21 38832762 NQPJPUODQMQUPZ-ZDUSSCGKSA-N 360.819 0.726 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 69923620 SZGWHDJRDNPWHG-LSDHHAIUSA-N 369.491 0.254 0 40 FCAB O=C(Cn1ccc2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 72402037 KCMWNGKPNXBOKZ-MRXNPFEDSA-N 361.467 0.973 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)c2cccnc2)C[C@@]2(CC(=O)N(C)C2)C1 96036069 PKZMMOKLOOVBNP-LJQANCHMSA-N 358.442 0.871 0 40 FCAB Cc1noc(CNC(=O)[C@@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)n1 96124022 UHJVEDGZDJSILF-GFCCVEGCSA-N 369.389 0.282 0 40 FCAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(S(=O)(=O)C1CC1)C2 96237683 LQLVZZYPPNISML-OAHLLOKOSA-N 355.485 0.963 0 40 FCAB CCNC(=O)Cn1c(=O)/c(=C/c2ccccn2)s/c1=C/C(=O)C(C)(C)C 105764653 MTZSGTNSZXQWJU-AIXGLBGOSA-N 373.478 0.665 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cnc(C)nc2)CCN1Cc1ccccc1 257228579 FUKGOMWHTPVCCU-KRWDZBQOSA-N 353.426 0.858 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CCCS(=O)(=O)c2ccccc2)CCN1C 257326739 WYLAVNMGVOMUMI-HNNXBMFYSA-N 367.471 0.129 0 40 FCAB CCn1cc(C(=O)N2CCOC[C@@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257342991 ZQYWJLDPOQIWFH-LLVKDONJSA-N 353.404 0.243 0 40 FCAB Cn1nccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 408476039 JDHOQCMQTRBMNH-NSHDSACASA-N 354.432 0.406 0 40 FCAB Cc1ccc(NC(=S)N(C[C@@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1 575419989 CCBUIANMVMELMD-UONOGXRCSA-N 358.485 0.534 0 40 FCAB CN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575422183 NBQQFPGKCLGJNB-GJZGRUSLSA-N 355.437 0.618 0 40 FCAB CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(CC3CCOCC3)C2)C1 604381674 KROYBHJIKHXSSI-QGZVFWFLSA-N 351.491 0.666 0 40 FCAB biogenic,in-vitro CC(C)O[C@@H]1CCCN(C(=O)c2nc(N3CCOCC3)nc(=N)[nH]2)C1 652749646 UASMOHBRNCNTBV-GFCCVEGCSA-N 350.423 0.150 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)n1 1565554841 HBXSRPGOOZDQNS-GXTWGEPZSA-N 359.386 0.411 0 40 FCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CC(N3CCCC3)C2)cc1 1775966225 UYUGUIYZRDKKDV-UHFFFAOYSA-N 363.439 0.809 0 40 FCAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)c3ncc(Cl)cn3)C[C@H]12 2055715803 JPQMXHDZJWAHRE-ZMLRMANQSA-N 374.850 0.156 0 40 FCAB CCN=c1ccnc(N2CCN(CC(=O)N3C[C@H](C)O[C@H](C)C3)CC2)[nH]1 2086886975 LEODQSKJMNCFGB-GASCZTMLSA-N 362.478 0.088 0 40 FCAB COC(=O)c1sc(S(=O)(=O)NCCC(=O)O)c(C(=O)OC)c1C 3282591 DFLJWRKPXNVOMD-UHFFFAOYSA-N 365.385 0.383 0 40 FCAB CCOc1ncccc1C(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 3521059 STTONBFIDLBHEX-GFCCVEGCSA-N 370.427 0.673 0 40 FCAB Cc1cc2nc(N3CCOCC3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2cc1C 4830586 XXWBSWGLONZBPI-HZMVEIRTSA-N 363.414 0.101 0 40 FCAB CCC[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 5062877 JCRKZZNOFDAGDT-CYBMUJFWSA-N 365.386 0.399 0 40 FCAB CC(C)(C)C(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 12623112 HUJLAZXJLILRGH-UHFFFAOYSA-N 373.500 0.743 0 40 FCAB CCNC(=O)NC(=O)CSc1nnc(COc2ccccc2F)n1N 15278730 FQFDMEYNYPBUHM-UHFFFAOYSA-N 368.394 0.648 0 40 FCAB O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCc2ccccc2C1 16379001 OAVFFVKVPIHVPL-GOSISDBHSA-N 357.454 0.895 0 40 FCAB CCN(CC(=O)NC(C)(C)C)C(=O)C1CCN(S(=O)(=O)CC)CC1 19310328 MSRLIMWZZHXXPM-UHFFFAOYSA-N 361.508 0.811 0 40 FCAB O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CN(c2ncccn2)CCO1 19747258 BLDPXZSNGHHHSA-KRWDZBQOSA-N 370.409 0.812 0 40 FCAB C[C@@]1(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)CCS(=O)(=O)C1 25672218 LCHRSHAURSCUAR-CQSZACIVSA-N 357.409 0.649 0 40 FCAB 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FCAB Cn1nccc1C(=O)NC[C@H]1CO[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@H]12 575406058 XGJZVLSVHXRECM-YSVLISHTSA-N 370.409 0.643 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1ccc(N(C)C)nc1 643704424 RNISHEDIZBNKFE-OAHLLOKOSA-N 356.448 0.063 0 40 FCAB O=C(O)CN1CC[C@H](N2C(=O)c3ccc(Br)cc3C2=O)C1=O 663220058 MVTHXXQOGGCROG-JTQLQIEISA-N 367.155 0.731 0 40 FCAB COC[C@@H]1CN(C)C(=O)[C@H]2CCN(C(=O)CCc3cncnc3)CC[C@@H]12 1565542471 DOQUTVQLAVRWPG-ULQDDVLXSA-N 360.458 0.999 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@]2(CCCN(c3nncs3)C2)C1 1565546121 UKIPBERJKMAHIE-LMOYCYGVSA-N 350.444 0.628 0 40 FCAB CCS(=O)(=O)N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055772683 OVRZQOYAOCNVTH-JTQLQIEISA-N 353.400 0.994 0 40 FCAB Cn1nnnc1SCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 5742825 OFRKCQCBDVWYNL-UHFFFAOYSA-N 360.321 0.474 0 40 FCAB Cn1c(CSc2n[nH]c(=O)n2CCc2ccccc2)cc(=O)n(C)c1=O 9482872 UHJKRFDVYQTLPL-UHFFFAOYSA-N 373.438 0.504 0 40 FCAB C/C=C/Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3CCCO)n(C)c1=O 10387126 VIIMHZZFKNFMBM-FYJFLYSWSA-N 360.418 0.612 0 40 FCAB COCCCn1c(C(=O)Nc2cccnc2)cc2c(=O)n(C)c(=O)n(C)c21 11796843 DXLYBVLAEBFVBC-UHFFFAOYSA-N 371.397 0.723 0 40 FCAB CCNC(=S)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(C)=O)CC1 13556059 JKKMHMGPLXFSPP-INIZCTEOSA-N 362.499 0.772 0 40 FCAB CCOc1ccc(NC(=O)C[C@H]2N=C(N3CCN(C)CC3)NC2=O)cc1 13693206 OEBBQOQYBHBDPQ-OAHLLOKOSA-N 359.430 0.516 0 40 FCAB CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(C(=O)NC)c1C 21822487 YQDHXQSYLIEBST-UHFFFAOYSA-N 369.443 0.864 0 40 FCAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NCc1ccncc1 31818103 LCGQHCHEFGKMDX-OAHLLOKOSA-N 352.394 0.867 0 40 FCAB O=C(CN1CCN(c2nccs2)CC1)NCCCN1CCCC1=O 40033520 MKSVFRYDWFOGBF-UHFFFAOYSA-N 351.476 0.394 0 40 FCAB C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)C[C@@H](C)O1 40086129 QYQOIGLHMPBYLI-HUUCEWRRSA-N 354.476 0.553 0 40 FCAB C[C@@H](CN1CCCC1=O)NC(=O)NCc1ccc(S(C)(=O)=O)cc1 57016217 BJPROSKKNJDIIQ-LBPRGKRZSA-N 353.444 0.900 0 40 FCAB COCCNC(=O)CSc1nc2ccsc2c(=O)n1CCOC 57425710 VXEVJYUKFZPQQJ-UHFFFAOYSA-N 357.457 0.959 0 40 FCAB C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 90500583 DCVNPEFBNLITSW-HIFRSBDPSA-N 352.456 0.975 0 40 FCAB CC(C)CNC(=O)N1CC[C@@H]2CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]2CC1 96145629 RTOVSBZZMWQYDQ-ZIAGYGMSSA-N 374.507 0.166 0 40 FCAB COC(=O)C[C@H]1CCCCN1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102780993 JKRQPJJVYPCBRK-LVSLPLRBSA-N 360.410 0.738 0 40 FCAB CN1C[C@@H](C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)CC1=O 220875458 XSYIFUUHYUHTSK-STQMWFEESA-N 370.413 0.786 0 40 FCAB O[C@H]1[C@H](O)[C@@H](O)[C@H](OCc2ccccc2)[C@H](O)[C@H]1OCc1ccccc1 239562533 AWRJNSJYOXKKTK-GTYQWKCWSA-N 360.406 0.614 0 40 FCAB COc1ccc2c(c1)cc(C(=O)N1CCN(C(C)=O)[C@@H](C(N)=O)C1)n2C 257211553 BZICUSPUQKUTMY-MRXNPFEDSA-N 358.398 0.345 0 40 FCAB COCCOCC(=O)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257278599 OCWLJNUOIXTPRU-IRXDYDNUSA-N 362.426 0.330 0 40 FCAB CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cn(C)nc2C(F)(F)F)C1 526092686 HLXDPQCBZVCEST-ZETCQYMHSA-N 355.342 0.594 0 40 FCAB COCC(=O)N(C)CC(=O)N(Cc1nccs1)[C@@H]1CC12CCNCC2 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CC(C)CNC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 4495243 XYHNZXGNLNNMJR-UHFFFAOYSA-N 367.427 0.431 0 40 FCAB C/C=C/c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)c(OC)c1 4950146 UCNVJNROIFMPMC-FHWQLIEJSA-N 367.398 0.051 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)NCCSc2ccccc2)n(C)c1=O 5165266 LAUWRDWCUAMQEN-UHFFFAOYSA-N 373.438 0.342 0 40 FCAB CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1 7262450 PDKQXQHHIDXVFP-CYBMUJFWSA-N 363.439 0.845 0 40 FCAB O=C(CN1CCSC1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 7960140 JRQYJPOKVYFCMZ-UHFFFAOYSA-N 369.468 0.688 0 40 FCAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)N2CCOCC2)CCCC3)n1 9520682 MQPOISCNFCWZIW-UHFFFAOYSA-N 371.441 0.783 0 40 FCAB NC(=O)C1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 9583054 QSSJYYCBUZVGKE-HNNXBMFYSA-N 371.503 0.142 0 40 FCAB Cn1nc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1=O 14187671 AIQNDFMHUQJUFC-LBPRGKRZSA-N 356.382 0.941 0 40 FCAB COCCC(=O)NCCn1nc([C@H]2CCN(C(C)=O)C2)c2cccnc21 19016533 LUSVQLMLUDIYOB-AWEZNQCLSA-N 359.430 0.920 0 40 FCAB CCN(c1cc(OC)c(OC)cc1C(=O)N1CCOCC1)S(C)(=O)=O 22252148 GVZSYGURRBNMJH-UHFFFAOYSA-N 372.443 0.962 0 40 FCAB O=C(CN1C(=O)C(=O)N(CC(F)(F)F)C1=O)Nc1ccc2c(c1)OCO2 32777534 KSMDBAVTQTYYSQ-UHFFFAOYSA-N 373.243 0.707 0 40 FCAB Cn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCS(=O)(=O)C2 41070331 RVOGMLOUVBSHIV-UHFFFAOYSA-N 374.466 0.853 0 40 FCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1cccc(C)c1 54112907 SKRXTHMILLGYIN-HZPDHXFCSA-N 358.442 0.949 0 40 FCAB CN1CCO[C@@H]([C@H](NC(=O)CS(C)(=O)=O)c2ccc(Cl)cc2)C1 330587648 TUOGBQNLULTRJP-UKRRQHHQSA-N 360.863 0.873 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@H](CNC(=O)c2cscn2)C1 575406283 NEQAHRAFLIFHEZ-LLVKDONJSA-N 355.445 0.476 0 40 FCAB C[C@@]1(NCCNS(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 575423547 GHYXPHPAXSPPNB-CYBMUJFWSA-N 366.892 0.785 0 40 FCAB O=C(/C=C/CN1CCOCC1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585290497 DWJDYSRHBQUNEI-PDGUBNMISA-N 360.454 0.707 0 40 FCAB O=C(Nc1cnc2c(c1)COCC2)N1CCN(C(=O)N2CCNCC2)CC1 625875718 HKISLJYPSTVTGH-UHFFFAOYSA-N 374.445 0.329 0 40 FCAB CN1CCN([C@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(N)=O)C2)CC1 1549998559 ZRMQUTSBKZSIMG-IRXDYDNUSA-N 359.474 0.114 0 40 FCAB CC(=O)c1cc(C(=O)N2C[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)n[nH]1 1565550426 CTYOWTXMRNIZCE-SWLSCSKDSA-N 356.386 0.380 0 40 FCAB CNC(=O)[C@@]1(n2cccn2)CCCN(S(=O)(=O)c2ccccc2F)C1 2055772661 KLIKRZSVSPLEBX-MRXNPFEDSA-N 366.418 0.948 0 40 FCAB COc1cc(C(=O)N[C@H]2CCOC[C@@]23CC(C(=O)NC(C)C)=NO3)on1 2055793399 XNZQUTUZQTUPLT-LRDDRELGSA-N 366.374 0.242 0 40 FCAB COc1cnc(C(=O)N2CC[C@H]3C[C@@]32C(=O)NCc2cccnc2)cn1 2056224077 QIIYROUTPMTTOJ-UGSOOPFHSA-N 353.382 0.801 0 40 FCAB CN(C)C(=O)[C@H]1C[C@]2(CO1)CN(c1cc(C(F)(F)F)ncn1)CCO2 2056226010 HPPZKMIQXRIGGH-QMTHXVAHSA-N 360.336 0.948 0 40 FCAB Cn1c(N2CCO[C@H](C(=O)N3CCSCC3)C2)nc2ccccc2c1=O 2086861448 OVIBCWBGWQJYMJ-HNNXBMFYSA-N 374.466 0.714 0 40 FCAB COC(=O)c1sc(S(=O)(=O)N[C@@H](C)C(=O)O)c(C(=O)OC)c1C 1795966 ZIZJPORRLBDXKM-LURJTMIESA-N 365.385 0.381 0 40 FCAB in-vitro Cn1c(N)c(C(=O)COC(=O)c2cccc3ccccc23)c(=O)n(C)c1=O 3247320 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CC(C)NC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N(C)CCc1ccccc1 20465794 RODDAORZUFRDTH-VSZNYVQBSA-N 365.474 0.358 0 40 FCAB biogenic,in-vitro O=C(COc1ccccc1)NCCNC(=O)c1nc2ccccc2c(=O)[nH]1 22470457 IOLZDQPADKJMPK-UHFFFAOYSA-N 366.377 0.848 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N(C)C 22770218 WTTOAEJZUOBECC-YPMHNXCESA-N 354.428 0.752 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccn(COc2ccc(F)cc2)n1 27972319 YWXMFYBOELVHDS-GFCCVEGCSA-N 353.375 0.976 0 40 FCAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1 31248187 NCQSAXJCZQOBJK-UHFFFAOYSA-N 367.471 0.638 0 40 FCAB CC[C@H]1CCCCN1C(=O)COC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 32871452 LHEIRNMGWJZENU-LBPRGKRZSA-N 351.403 0.639 0 40 FCAB O=C(O)CN1CCN(S(=O)(=O)c2ccccc2Br)CC1 35126680 NEXMWEHKXIKPOR-UHFFFAOYSA-N 363.233 0.840 0 40 FCAB Cc1ccc(OCCN(C)CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 45352255 IRXIAUXIUGVHLN-HNNXBMFYSA-N 354.472 0.951 0 40 FCAB O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N[C@H]1CCCNC1=O 50634684 DTGXVTKHFGYMQL-HNNXBMFYSA-N 350.440 0.734 0 40 FCAB COc1ccc(CNC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 57378872 FYLFHLYJPXFGCM-OAHLLOKOSA-N 367.471 0.710 0 40 FCAB CC(C)[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)N1CCOCC1 79104509 GNKVSXFQKOAVIW-CQSZACIVSA-N 358.398 0.536 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)cc1C 95465265 SVNVOPZXEMICRG-UHFFFAOYSA-N 365.459 0.937 0 40 FCAB Cn1cccc1C(=O)N1CCC2(CCOC[C@@H]2NS(C)(=O)=O)CC1 96215159 NLLFJBWAQITFJL-AWEZNQCLSA-N 355.460 0.586 0 40 FCAB CCOC(=O)c1cn([C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2=O)nn1 98063835 QRXZSLMFADFYPU-AWEZNQCLSA-N 374.353 0.977 0 40 FCAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\N(C)C)c(=O)n12 100936152 KOXJDQGEUOJWPD-ZDBYUICRSA-N 373.434 0.330 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]12 101163409 MSCKYIVSYZPZJI-ZFWWWQNUSA-N 373.365 0.725 0 40 FCAB CN1CCC(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1 113936582 GJMQAISQBVOKFI-UHFFFAOYSA-N 354.476 0.510 0 40 FCAB CCc1ccc(S(=O)(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 244271589 WORVPUCCPRSRDF-OAHLLOKOSA-N 374.528 0.988 0 40 FCAB Cc1cnc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)cn1 257207418 BHRALTKJBUYLCT-YRGRVCCFSA-N 366.418 0.246 0 40 FCAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)CCc1ccnn1C 257282171 OSRFLRKFSLFOFM-GOSISDBHSA-N 358.446 0.633 0 40 FCAB CCc1cc(CNC(=O)[C@H]2CN(C(=O)c3ccn(CC)n3)CCN2C)on1 257339238 ZAVQXJZBAPBPST-MRXNPFEDSA-N 374.445 0.526 0 40 FCAB Cc1occc1C(=O)N1Cc2cncn2[C@@H](CCNS(C)(=O)=O)C1 306125153 CICCNHOQCQDKMM-LBPRGKRZSA-N 352.416 0.921 0 40 FCAB CCn1cc(CN2Cc3cncn3[C@H](CNS(=O)(=O)CC)C2)cn1 306127213 FRVSJOCYKAGGGJ-OAHLLOKOSA-N 352.464 0.596 0 40 FCAB Cc1nnc2n1C[C@@H](C(=O)N1CCN(c3ccccc3F)CC1)N(C)C2 644236050 JDDBCSUGDFEXDV-INIZCTEOSA-N 358.421 0.888 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)CCO1 681941934 IYUBKALDHWWNKC-ZDUSSCGKSA-N 364.402 0.072 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(CCN(CCN3CCCC3)C2=O)C1 1565546796 AKFHGWOVRGWVED-XLSPSMHOSA-N 361.486 0.816 0 40 FCAB O=C(O)CC1(N2CCOC[C@@]3(C[C@@H](Cn4cnnc4)CO3)C2)CCC1 1565547728 RUMMNJLETCKPSX-WMLDXEAASA-N 350.419 0.783 0 40 FCAB Cc1cc(=O)n2c(n1)CC[C@@]1(CCN(C(=O)CCS(C)(=O)=O)C1)CC2 1565554823 GJUKLRDSXRRGQE-QGZVFWFLSA-N 367.471 0.541 0 40 FCAB CC(=O)N1CCN([C@H]2CCN(C3CCN(C(C)C)CC3)CC[C@@H]2O)CC1 1615156864 YDYWHLKQGXYWCT-PMACEKPBSA-N 366.550 0.849 0 40 FCAB C[C@H](Cn1cncn1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 4988406 MIQALILCGOGOFI-CQSZACIVSA-N 363.443 0.447 0 40 FCAB O=C(c1cn(C[C@@H]2CCCN(C(=O)c3ccco3)C2)nn1)N1CCOCC1 12183835 JLAUWWXVPPWWJI-CQSZACIVSA-N 373.413 0.896 0 40 FCAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(N)=O)C3)ccc21 12238878 NKHKUTFWBWJPFK-JTQLQIEISA-N 353.400 0.500 0 40 FCAB C[C@@H](C(=O)N1CCc2sccc2C1)n1cnc2c1c(=O)n(C)c(=O)n2C 23294439 MMCUVZUDOLGKCU-JTQLQIEISA-N 373.438 0.641 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(Cc2nnsc2Cl)CC1 24244279 HSCTVRBOKOXHNU-UHFFFAOYSA-N 353.901 0.896 0 40 FCAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCCn1ccnc1 32123834 PJHOMOAAALTFJD-HNNXBMFYSA-N 355.398 0.920 0 40 FCAB biogenic CN1C(=O)c2ccc(C(=O)NCCCN3CCCC3=O)cc2S1(=O)=O 40153157 DYAHOPRIQPBMII-UHFFFAOYSA-N 365.411 0.203 0 40 FCAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N1CCOCC1 45282721 BBTOICLHNMQXEX-HNNXBMFYSA-N 356.382 0.490 0 40 FCAB CCc1c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cnn1-c1ccccn1 56400446 OVXOXUOFAOOTLI-UHFFFAOYSA-N 368.397 0.644 0 40 FCAB Cn1cc([C@H](O)CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 78374867 CUXNDWDVKXHEQL-CQSZACIVSA-N 351.370 0.988 0 40 FCAB O=C1CCC[C@@H]1[C@@H]1COCCN1CC(=O)N1CCC2(CC1)OCCO2 95945694 WHRHWGMFGOBJDF-CABCVRRESA-N 352.431 0.422 0 40 FCAB O=C(C1CCOCC1)N1CCCn2c(nc(CN3CCCC3)cc2=O)C1 96059594 KWBPWFYSWJKKNP-UHFFFAOYSA-N 360.458 0.998 0 40 FCAB Cn1cc(S(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cn1 96120332 SHZGOEPZWZYBEO-UHFFFAOYSA-N 357.480 0.919 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]12 100639105 FOBTVDUCPRNSBE-HIFRSBDPSA-N 357.366 0.943 0 40 FCAB COC(=O)CNC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 101624519 IIYVAPKNMRRQMR-BETUJISGSA-N 373.409 0.785 0 40 FCAB O=C1CCCN1CC(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 177512041 ZLCCPAZYTCFZRD-CQSZACIVSA-N 368.430 0.964 0 40 FCAB CCNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)C1 245541240 QIAIJQORNGSHRG-PBHICJAKSA-N 365.499 0.973 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)Cc2cccs2)Cc2cncn21 247530006 OJPJERWNOHRMOX-LBPRGKRZSA-N 354.457 0.620 0 40 FCAB COC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)O)cc2)C1 532257874 ROIILHNWWPUVGG-GFCCVEGCSA-N 370.427 0.548 0 40 FCAB Cc1noc([C@@H]2CC[C@H](CN(CC(=O)N3CCCC3)S(C)(=O)=O)O2)n1 548663163 HNBHIKMQLCYQEK-OLZOCXBDSA-N 372.447 0.482 0 40 FCAB Cc1ccoc1C(=O)N1Cc2ncn(C)c2C[C@@H]1CNS(C)(=O)=O 585095017 ZVJAWSHDHNCOBS-LLVKDONJSA-N 352.416 0.438 0 40 FCAB Cn1c2c(c(=O)n(C)c1=O)C[C@@]1(CCCN(Cc3cscn3)CC1)O2 643914960 ZUSMWKLRHPPMII-KRWDZBQOSA-N 362.455 0.900 0 40 FCAB CCN(CC)CCNC(=O)c1nc[nH]c1C(=O)NCCN(CC)CC 670421059 RFIWBBZRNCRQAO-UHFFFAOYSA-N 352.483 0.553 0 40 FCAB Cn1cnc2c(N3C[C@H]4CN(C(=O)NC[C@@H]5CCCO5)C[C@H]4C3)ncnc21 1888890217 KLBLNHSFJMQTMD-MJBXVCDLSA-N 371.445 0.620 0 40 FCAB COc1ccnc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)n1 1889096860 AYBWVJWQEXKSFH-UHFFFAOYSA-N 357.418 0.438 0 40 FCAB CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(C)C)CC3)C1=O 2055794316 HDIGPCWWLXAYQG-QGZVFWFLSA-N 357.520 0.991 0 40 FCAB CN(C)c1ccc(N2CCN(c3ncccc3S(C)(=O)=O)CC2)nn1 2086884718 NJZKTEASINVRRE-UHFFFAOYSA-N 362.459 0.668 0 40 FCAB CC(C)CCNC(=O)NC(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12 3380166 AKTASVOPRWCJLD-UHFFFAOYSA-N 374.397 0.881 0 40 FCAB Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1OCc1ccccc1 4983311 GUCMSLDJFPHTIR-VYHVBIQSSA-N 357.370 0.245 0 40 FCAB O=C(COC(=O)/C=C/C(=O)OCC(=O)NC1CCCC1)NC1CCCC1 5157816 IJOSBZQWCGUKPO-MDZDMXLPSA-N 366.414 0.747 0 40 FCAB COc1cc([C@H]2C/C(=C3\C(=O)NC(=O)N(C)C3=O)NN2C(C)=O)ccc1O 9136849 CVDOOEUVOPAQDF-UXEDPAHQSA-N 374.353 0.161 0 40 FCAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2nc(CC(N)=O)cs2)C1=O 11000000 PSRAAGPIARONOI-SECBINFHSA-N 360.395 0.924 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16024651 DOMSBGXMTOVLON-OPFNMXCZSA-N 357.410 0.588 0 40 FCAB CN(C)CCn1nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)c2cccnc21 19583296 WGNNKFPFCAYQCT-ZDUSSCGKSA-N 366.491 0.589 0 40 FCAB CCCn1c(=O)[nH]c(O)c([C@@H]2NCCc3cc(OC)c(OC)cc32)c1=O 20567688 OTCDTUSNRWESBB-OAHLLOKOSA-N 361.398 0.905 0 40 FCAB biogenic Cc1ccc(CNC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc1 21420607 PJPWBZXFJQRALX-UHFFFAOYSA-N 374.485 0.088 0 40 FCAB COc1ccc(S(=O)(=O)NCCCn2ncccc2=O)c(OC)c1 23242000 YDVCNIKFRVKXBL-UHFFFAOYSA-N 353.400 0.629 0 40 FCAB Cc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1S(N)(=O)=O 28437452 REOYSQDDDDASND-UHFFFAOYSA-N 372.406 0.991 0 40 FCAB CNC(=O)[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 55959991 OZNDJTJRFIMFKT-NSHDSACASA-N 373.500 0.716 0 40 FCAB O=C(C[C@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccccc1F 71279819 QVLXYLBCYGSNKC-CYBMUJFWSA-N 353.394 0.465 0 40 FCAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1nccs1 80337056 VUWDRZHUBFUOIM-LLVKDONJSA-N 361.431 0.792 0 40 FCAB CS(=O)(=O)CCN1CCN(C[C@H](O)COCc2ccccc2F)CC1 89484295 LIDNZHMMEHZYAO-INIZCTEOSA-N 374.478 0.365 0 40 FCAB CCN(CCO)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 95360836 DBBMWHUYIWZPLV-UHFFFAOYSA-N 369.487 0.992 0 40 FCAB COC(=O)[C@H]1O[C@@H](SC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 95869967 HHAWIPPOHLEARU-LARJDALCSA-N 364.372 0.042 0 40 FCAB Cc1cc(O)cc(=O)n1CCC(=O)NC[C@H](C(C)C)N1CCOCC1 95964562 UUWYSXSTUXPXRR-MRXNPFEDSA-N 351.447 0.725 0 40 FCAB Cn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCOCC2)CC3)cn1 96059520 NAIRKJLTTOGLPS-UHFFFAOYSA-N 358.446 0.789 0 40 FCAB CN(C)c1nc(N2CCOCC2)nc2c1CCN(C(=O)N1CCCC1)CC2 96254941 VUUFVDZOCOZRDJ-UHFFFAOYSA-N 374.489 0.996 0 40 FCAB Cc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1C 242414777 BGZAFGZFLMGSSA-UHFFFAOYSA-N 369.487 0.518 0 40 FCAB CS(=O)(=O)N[C@@H]1CN(C(=O)c2ccc(N3CCCC3)cc2)C[C@H]1O 257341557 ZKWPPRZDYUJCAS-HUUCEWRRSA-N 353.444 0.021 0 40 FCAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 306132675 LPDLNRFNMRMTJD-FRRDWIJNSA-N 351.428 0.527 0 40 FCAB C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)CCN1Cc1ccccc1 333485904 IBLUGODUHBQYHJ-BGTYHANMSA-N 372.469 0.948 0 40 FCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccncc3)C(=O)[C@H]12 409305916 NXEABDKDTVUFBG-COJSNBRMSA-N 372.333 0.347 0 40 FCAB O=C(NCCc1cnccn1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 525934492 DBGCBKTVPABCDV-CQSZACIVSA-N 353.448 0.229 0 40 FCAB O=S1(=O)CC[C@H](N(CCO)S(=O)(=O)c2ccc(Cl)cc2)C1 575423600 GOFWXRSGPBVSFL-NSHDSACASA-N 353.849 0.510 0 40 FCAB O=C1CC[C@H](C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)N1 585112257 NUQULSAAFPVXPI-HZPDHXFCSA-N 354.410 0.940 0 40 FCAB COC(=O)c1cn(NC(=O)Cn2ccc3cccnc32)cc2c(O)nnc1-2 604418776 BVKQUWGBYPSSBK-UHFFFAOYSA-N 366.337 0.995 0 40 FCAB Cc1sccc1CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 682502011 FSYLEIPNMZITAW-OAHLLOKOSA-N 351.472 0.648 0 40 FCAB Cc1nc2ncnn2c(N2CCN(c3ncnc4c3ncn4C)CC2)c1C 1888918164 ORQGNEQWUYFQND-UHFFFAOYSA-N 364.417 0.744 0 40 FCAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)CCc3ccc[nH]3)CC2)O1 2055795698 FVFXDSVEGUCDGL-HNNXBMFYSA-N 371.441 0.807 0 40 FCAB COc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)N3CCOCC3)C2)cc1 4813920 JSRJJLWZHQOYHE-ZDUSSCGKSA-N 369.443 0.800 0 40 FCAB COC(=O)c1c(NC(=O)C(=O)NC[C@H](C)O)sc2c1CC(C)(C)OC2 6758834 JQWRVMBYIUNUJR-QMMMGPOBSA-N 370.427 0.822 0 40 FCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccc(OC)cc1 9483714 SGMFRXDIRHVRFL-GJZGRUSLSA-N 361.398 0.734 0 40 FCAB Cc1nc(C)n(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 12188034 JDJPLEOPYAOFAD-UHFFFAOYSA-N 351.388 0.204 0 40 FCAB NC(=O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 12199565 LIEDYGMFGIRSMJ-UHFFFAOYSA-N 365.411 0.226 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccc2c(c1)OCCO2 14140103 HKIRKSVXEMLSSR-UHFFFAOYSA-N 368.397 0.953 0 40 FCAB C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1F 15330881 ALPSOFCKPVESHU-QMMMGPOBSA-N 359.354 0.402 0 40 FCAB CC(C)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 17114943 GFBLNMBKKRCOHF-UHFFFAOYSA-N 369.443 0.882 0 40 FCAB CCn1cncc1C(=O)N1CCCC[C@H]1CCNS(=O)(=O)N(C)C 19745860 LFZZIPZNMJVUJE-ZDUSSCGKSA-N 357.480 0.684 0 40 FCAB CN(Cc1ccco1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 32976334 UMNDMQCPHPSDQW-LLVKDONJSA-N 353.400 0.404 0 40 FCAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2cnccn2)CC1 33904348 BIDWOYZDRHMAKJ-UHFFFAOYSA-N 368.440 0.836 0 40 FCAB Cn1c(=O)c2cc(NC(=O)CCNC(=O)C3CCCC3)cnc2n(C)c1=O 71843911 DCXVHBGMZFVYMX-UHFFFAOYSA-N 373.413 0.267 0 40 FCAB COCC(=O)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 96038309 HXVNOSZLAIEACC-UHFFFAOYSA-N 359.430 0.918 0 40 FCAB Cn1ccnc1CN1CC[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 96062372 YAAMFBXLEMXCET-GOSISDBHSA-N 356.430 0.575 0 40 FCAB CN(C)S(=O)(=O)NCCn1nc(-c2cccs2)n(C2CC2)c1=O 96096680 OUHLOTSJHHFNLQ-UHFFFAOYSA-N 357.461 0.504 0 40 FCAB CS(=O)(=O)N1CC[C@]2(CCC[C@H](CNC(=O)c3cccnc3)O2)C1 96206596 MKHYDNXRMNZQIN-GDBMZVCRSA-N 353.444 0.785 0 40 FCAB Cc1ccc(NC[C@@H]2CO[C@]3(COCCN(S(C)(=O)=O)C3)C2)nn1 96240578 XUGKMXFGOHUGIV-UKRRQHHQSA-N 356.448 0.264 0 40 FCAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nn2cnnc2)CC1 101344900 GTWPVUKKNMMDOY-BETUJISGSA-N 353.386 0.960 0 40 FCAB O=C(CO[C@@H]1CCOC2(C1)CN(c1ncc(F)cn1)C2)N1CCCC1 247725259 CEEDOOBJWCPGBQ-CQSZACIVSA-N 350.394 0.993 0 40 FCAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CN(C(=O)CN(C)C)CCO2)n1 257253841 KALISQQJTLUUEE-MRXNPFEDSA-N 356.430 0.891 0 40 FCAB CN(C(=O)c1cnccn1)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257344019 ZVLRDCLRPNEKOG-MDZLAQPJSA-N 354.374 0.035 0 40 FCAB CCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1 306138463 RYIQLQXYUTVNIP-AWEZNQCLSA-N 353.444 0.642 0 40 FCAB CCN1CCN(C(=O)NC[C@](O)(c2ccoc2)c2ccco2)C(=O)C1=O 618255555 SPUXVCRVEQGSHD-KRWDZBQOSA-N 361.354 0.509 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@@H](NC(=O)c1csc(C)n1)CC2 1565556506 LDBPBDQDYCFAPO-NSHDSACASA-N 363.443 0.769 0 40 FCAB Cc1ncnc(C(=O)N2C[C@H]3CCN(CC(=O)N(C)C)CC[C@H]3C2)c1C 2056223345 GXXCYFVBRPCJMX-IYBDPMFKSA-N 359.474 0.966 0 40 FCAB CC1(C)S[C@H]2[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O 5496946 LSQZJLSUYDQPKJ-ZHPDPMBESA-N 365.411 0.024 0 40 FCAB in-vitro O=C(CSc1nc(-c2ccccc2)n[nH]1)N[C@H]1CCS(=O)(=O)C1 6178522 KYVJARUMFJQSNX-NSHDSACASA-N 352.441 0.867 0 40 FCAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1ccccc1=O 6657837 DXOZTJNAWNHMTN-UHFFFAOYSA-N 368.393 0.760 0 40 FCAB CCOC(=O)[C@H]1CS[C@H](CC(=O)NCCc2ccccc2)C(=O)N1 9939523 HRVBDDMXWSUJGR-ZIAGYGMSSA-N 350.440 0.899 0 40 FCAB CCCCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 12444704 XCEPONATJQEWEV-UHFFFAOYSA-N 354.476 0.840 0 40 FCAB COc1ccc(N([C@H](C)C(=O)NCCCN(C)C)S(C)(=O)=O)cc1 13646734 ZBSASFPCAVSGDC-CYBMUJFWSA-N 357.476 0.918 0 40 FCAB CCCCSC[C@H](NC(=O)/C=C\c1c(C)[nH]c(=O)[nH]c1=O)C(=O)OC 17022841 DMGBMAFCALOMMR-DGMVEKRQSA-N 369.443 0.576 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2o1 39985866 UUMDUMKZMVWMRM-GFCCVEGCSA-N 351.428 0.953 0 40 FCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)C[C@H](C)O1 40081042 AMUOSCIZGUFJEU-KBPBESRZSA-N 368.459 0.193 0 40 FCAB CC(C)COC[C@H](O)CNC(=O)NCCc1nnc2n1CCCCC2 45383312 HAMNQUTYZZKHQM-CQSZACIVSA-N 353.467 0.880 0 40 FCAB O=C(OCCn1cncn1)c1sccc1S(=O)(=O)N1CCOCC1 48312846 QDKOTEBIYSPMDI-UHFFFAOYSA-N 372.428 0.218 0 40 FCAB O=C(CN1CCN(c2ccc3nnnn3n2)CC1)Nc1ccc(F)cc1 57369654 ZCABKRWCSARTND-UHFFFAOYSA-N 356.365 0.419 0 40 FCAB CC(=O)N(C)CC(=O)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 75161892 CNIFWOJJPYHCGR-UHFFFAOYSA-N 369.429 0.615 0 40 FCAB COCCNC(=O)CN1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 77152602 JOAKXZNAJJSPIK-UHFFFAOYSA-N 373.457 0.513 0 40 FCAB O=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 81250017 DTJSIRVEYAVXOU-VHSXEESVSA-N 356.366 0.338 0 40 FCAB CO[C@@H]1[C@@H](C)[C@@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1(C)C 95986828 WHIFJJXPIAXTAG-ZWKOPEQDSA-N 362.473 0.672 0 40 FCAB CS(=O)(=O)N1CCOCC2(CCN(C(=O)c3cccnc3)CC2)C1 96240050 PROVQTSPGNDAIK-UHFFFAOYSA-N 353.444 0.596 0 40 FCAB COc1cccc(CC(=O)N2CC[C@H]3[C@@H](CC2)S(=O)(=O)CCN3C)c1 96251519 PKFSPFBAEINFMQ-DLBZAZTESA-N 366.483 0.958 0 40 FCAB CCn1cc(Cn2cc(NC(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)cn2)cn1 101591284 ZRMDTSPHWAHCDG-XQLPTFJDSA-N 359.386 0.965 0 40 FCAB Cc1ccc(CC(=O)N2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)cc1 103785643 UZZLGGDKOJEFJY-UHFFFAOYSA-N 368.437 0.774 0 40 FCAB C[S@](=O)c1nncn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 103924007 VGWTWCIMIZLRNF-XMMPIXPASA-N 351.407 0.503 0 40 FCAB O=C(CN1C(=O)CCC1=O)N1CCN(c2cc3c(nn2)CCCC3)CC1 225790151 JAQVUCAQOMZLRS-UHFFFAOYSA-N 357.414 0.153 0 40 FCAB O=C(CCCN1C(=O)CNC1=O)N1CCC[C@@](O)(CN2CCCC2)CC1 257213980 CJXRYJIEEKRSAR-SFHVURJKSA-N 366.462 0.158 0 40 FCAB CN(C)c1cc([C@@H]2CCCN2C(=O)C2CN(S(C)(=O)=O)C2)ccn1 257298878 RNPQVEXRJAWWGN-AWEZNQCLSA-N 352.460 0.703 0 40 FCAB Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(C)[C@@H](C(=O)N(C)C)C1 257313426 USIAWQLJVBMNPZ-LLVKDONJSA-N 361.368 0.441 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 390831670 UAONSABXKOBYAW-NSHDSACASA-N 363.403 0.286 0 40 FCAB CCS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCO2 408702363 DZDKSYHTAZABGA-CYBMUJFWSA-N 370.427 0.867 0 40 FCAB NS(=O)(=O)N1CCN(C(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)CC1 528354556 QMMLIMBRYCGODG-GFCCVEGCSA-N 361.370 0.434 0 40 FCAB CCOCc1nnc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)o1 585079532 URCKESIQLJUCRU-UHFFFAOYSA-N 362.389 0.054 0 40 FCAB C[C@H]1Oc2ccccc2N(CCC(=O)N2CCS(=O)(=O)CCO2)C1=O 1121293071 XOUJXPHIHIGYQP-GFCCVEGCSA-N 368.411 0.379 0 40 FCAB COCC(=O)N1C[C@@H]2OCCS(=O)(=O)N(Cc3cccc(F)c3)[C@@H]2C1 1534645839 JUGHJMMLMRMEHP-CABCVRRESA-N 372.418 0.214 0 40 FCAB Cc1nnc(N2CCOC[C@@]3(CCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)o1 1565547322 PUIWAOOXJSBYRJ-LDDOYCOJSA-N 362.430 0.716 0 40 FCAB CN(Cc1nccn1C)[C@@H]1CCC[C@H](N2CCC(C(=O)O)CC2)[C@H]1O 2037795293 OTRAZQZPHWARFX-VYDXJSESSA-N 350.463 0.931 0 40 FCAB COc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 785761 QGPPBQLLEMGNEI-UHFFFAOYSA-N 369.443 0.185 0 40 FCAB CC(=O)Nc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1Cl 1344388 YFQHLWPUJOEDHK-UHFFFAOYSA-N 364.793 0.811 0 40 FCAB Cc1cc(C)n2nc(SCC(=O)NCCCN3CCCC3=O)nc2n1 5978868 ARNGTNMMPNIWLQ-UHFFFAOYSA-N 362.459 0.962 0 40 FCAB O=CN1CCN(S(=O)(=O)CCCOc2ccc3c(c2)OCO3)CC1 12440727 PWLSGPAPISZPKH-UHFFFAOYSA-N 356.400 0.288 0 40 FCAB CC(C)n1cnnc1S[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 14075593 GLEANQOOIGPYFJ-MRVPVSSYSA-N 352.420 0.202 0 40 FCAB O=C(NC[C@@H]1CCCO1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 16850985 MRHCMWUDSCUXGJ-RYUDHWBXSA-N 353.444 0.640 0 40 FCAB O=C(NC[C@H]1CCCO1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 16850987 MRHCMWUDSCUXGJ-NWDGAFQWSA-N 353.444 0.640 0 40 FCAB COc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)c(OC)c1 18240838 UKUQGHHCAZHWQK-AWEZNQCLSA-N 361.398 0.533 0 40 FCAB CNc1cc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)ccn1 19592076 LCXRBXHSYQTORS-UHFFFAOYSA-N 354.414 0.948 0 40 FCAB CCN(C)[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C2(CCCCC2)C1 19703814 RYYDFHPUFKBUED-AWEZNQCLSA-N 360.524 0.638 0 40 FCAB CNc1nc([C@@H]2CCCCN2C(=O)CNC(C)=O)nc2c1CCN(C)C2 19708639 ZWPBRPSNDIHWJC-HNNXBMFYSA-N 360.462 0.696 0 40 FCAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2CCN(C)CC2)cc1 35311563 VTFVTAWCHROVMR-CQSZACIVSA-N 368.503 0.949 0 40 FCAB COc1ccc(CNC(=O)[C@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 36358527 PMCUCCIJXYGTTE-WCQYABFASA-N 369.443 0.186 0 40 FCAB CC1CCN(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)CC1 67350320 NCFYYCHTRNVACI-UHFFFAOYSA-N 367.471 0.891 0 40 FCAB CNC(=O)N1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2C)CC1 79060856 LICMBZCNVAZGKB-UHFFFAOYSA-N 357.432 0.658 0 40 FCAB CN1CCN(C(=O)C[C@@H]2C[C@H]3CN(Cc4nccs4)C[C@H]3O2)CC1 96206676 SPBUQEUEPUNXSW-SOUVJXGZSA-N 350.488 0.897 0 40 FCAB COCC(=O)N1CC[C@@H]2[C@@H](c3ccccc3)N(C(C)=O)C[C@]2(NC(C)=O)C1 257228805 FVIJWVVYCQQLHA-MISYRCLQSA-N 373.453 0.960 0 40 FCAB CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)CCCn1ccnc1 257312204 UMWBQDCBASBEBF-SFHVURJKSA-N 358.446 0.943 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2nccnc2-c2cc[nH]n2)C1 257314212 UVUOXQNISYUHAE-LBPRGKRZSA-N 350.448 0.928 0 40 FCAB Cc1ccc(NC(=O)CCCN2C(=O)CCC2=O)cc1N1C(=O)CNC1=O 526033838 HBKOONOSBCADPN-UHFFFAOYSA-N 372.381 0.919 0 40 FCAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c12 572258371 OUYCMGCVDBOTLK-AAEUAGOBSA-N 355.398 0.793 0 40 FCAB Cc1cnc(CNC(=O)[C@H]2C[C@@]3(CO2)CN(Cc2cnc[nH]2)CCO3)nc1 1565541670 LTGIZWNGOVUROV-QAPCUYQASA-N 372.429 0.184 0 40 FCAB COc1cnc(C(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)nc1 1565544894 ADUTYUABCHJTFE-UHFFFAOYSA-N 368.397 0.935 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)N2CCOCC2)C(=O)O)cc1 1684055 CPGCGWWCQHOSAC-CQSZACIVSA-N 370.427 0.366 0 40 FCAB NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2653432 MZZCVCMXFMGFLS-UHFFFAOYSA-N 369.399 0.213 0 40 FCAB CCN(C(=O)COC(=O)c1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 3400157 COAQXWZHVAMDFX-OAHLLOKOSA-N 368.455 0.945 0 40 FCAB CCCCn1c(N)c(N(C)C(=O)[C@@H]2Cc3ccccc3O2)c(=O)[nH]c1=O 8734443 YKCCLCLIGQUECH-ZDUSSCGKSA-N 358.398 0.885 0 40 FCAB C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1Cl 8777134 WDPBOGWCGLOOJI-VIFPVBQESA-N 357.819 0.777 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)cc1 13096155 VLJBXFCALQIDGV-UHFFFAOYSA-N 369.487 0.774 0 40 FCAB Cc1ccc(C)c(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1 13612203 TYAAHWFYNPKZPD-UHFFFAOYSA-N 353.444 0.370 0 40 FCAB O=c1[nH]c2ccc(S(=O)(=O)NCCc3cccs3)cc2[nH]c1=O 23398403 CBIWMTSZMAEGDH-UHFFFAOYSA-N 351.409 0.799 0 40 FCAB O=C1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccncc3)c2)CCN1 32755381 ZSWUXIIZPYIQFU-UHFFFAOYSA-N 374.422 0.132 0 40 FCAB O=C1CN(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)CCN1 57383464 HXUSJTXMWACFSL-LBPRGKRZSA-N 370.331 0.725 0 40 FCAB CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2ccc(O)nn2)CC1 58367553 AXRJOFUZGLLFHV-UHFFFAOYSA-N 350.375 0.056 0 40 FCAB C[C@@H]1Cc2ccccc2N1CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1 68348780 VYBOIMSVBABCMZ-GFCCVEGCSA-N 362.455 0.854 0 40 FCAB COC(=O)c1cnc(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)cn1 95456902 SKMWAHUYVQXUJN-UHFFFAOYSA-N 366.337 0.800 0 40 FCAB COCCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225197115 QVVKLSGYLHFOIB-UHFFFAOYSA-N 356.400 0.663 0 40 FCAB CCc1noc(C)c1C(=O)N1CC[C@H]2OCC(=O)N(CCOC)[C@H]2C1 257241547 HYLAGQODMSILAJ-UONOGXRCSA-N 351.403 0.634 0 40 FCAB CO[C@H]1CN(C(=O)C2CCN(CCC(N)=O)CC2)CC[C@@]12CCCO2 257255994 KJRNIMRTLCONRD-YJBOKZPZSA-N 353.463 0.370 0 40 FCAB Cn1cc(C[C@H](CNS(=O)(=O)c2cccc3c2OCO3)C(=O)O)cn1 563899879 BIMOXZGURAXYLL-LLVKDONJSA-N 367.383 0.371 0 40 FCAB CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1nnn(Cc2ccccc2F)c1C 670124252 XETJLGJHIRTONW-UKRRQHHQSA-N 361.377 0.694 0 40 FCAB Cc1c([C@H]2[C@H](C(=O)N(C)CCN3CCCC3=O)CC(=O)N2C)cnn1C 683318560 KZKMTAYMAFSKGN-CXAGYDPISA-N 361.446 0.329 0 40 FCAB O=C1CN(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CN1CC1CC1 683951283 YOKOBEYVRDZWLF-LBPRGKRZSA-N 367.431 0.286 0 40 FCAB C=CC(=O)N(CC)CC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 1161523864 ZMDKLDMYKSVPGC-UHFFFAOYSA-N 369.462 0.899 0 40 FCAB COCCN1C(=O)CC[C@H]1c1nc(CNC(=O)C2CCOCC2)no1 1775964209 WYDMHLNAISAXSU-LBPRGKRZSA-N 352.391 0.422 0 40 FCAB biogenic,in-vitro Cc1ccc(C(=O)O[C@H]2C[C@@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)cc1 4460543 ZXFPNUSVNGMMMZ-ZNMIVQPWSA-N 360.366 0.659 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc2cccc(OC)c2oc1=O 10386891 LAOVTBQOYRIXLB-GFCCVEGCSA-N 374.349 0.305 0 40 FCAB CC(=O)Nc1cccc(-n2nnnc2SCC(=O)N2CCNC2=O)c1 12985442 ZQTBKOHOISETAE-UHFFFAOYSA-N 361.387 0.265 0 40 FCAB COC(=O)[C@]1(CO)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19586861 USVWRFCLHXFEDW-PVTKRXDGSA-N 352.774 0.119 0 40 FCAB NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)OCCO2 27915222 NADTYGDDVZUETQ-UHFFFAOYSA-N 352.368 0.727 0 40 FCAB Cn1ccc(/C=C2\SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)c1 35648641 AYVHBPWULXZMSD-WPVMNKCKSA-N 353.425 0.945 0 40 FCAB COc1ccc(C(=O)O[C@H]2C[C@H](C)OC2=O)cc1S(=O)(=O)NC1CC1 39977890 WQTJDUZHYCQBJC-ZANVPECISA-N 369.395 0.997 0 40 FCAB C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 41314700 VSXYKFFIIAMYNP-CQSZACIVSA-N 367.471 0.484 0 40 FCAB Cc1nc(CN(C)S(=O)(=O)c2ccccc2)[nH]c(=O)c1CC(=O)O 49468724 CPCFFYQWQDTZTH-UHFFFAOYSA-N 351.384 0.526 0 40 FCAB CCN1C(=O)[C@H]2[C@@H](c3ccc(O)c(OC)c3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 95252477 OAKOMGPFBPBMBT-KYZVSKTDSA-N 362.382 0.598 0 40 FCAB C[C@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CCO1 95941999 KNINYVGJXXXMOJ-LBPRGKRZSA-N 352.412 0.723 0 40 FCAB O=C1CO[C@@]2(COCCN(S(=O)(=O)C3CC3)C2)CN1c1ccoc1 96051416 DPIDLTWAKFUSEI-OAHLLOKOSA-N 356.400 0.206 0 40 FCAB O=C(O)c1ccccc1CN1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 257206059 BBQABWVHZWPSQP-ZACQAIPSSA-N 350.415 0.013 0 40 FCAB CCOc1ccc(CN2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)cc1CO 257274147 NJTITWUPBCDHGF-QZTJIDSGSA-N 352.431 0.011 0 40 FCAB CC(=O)N1CCC[C@@H]1c1cncc(CNS(=O)(=O)c2cn[nH]c2)n1 257281595 OQAVGTWBJACVNM-CQSZACIVSA-N 350.404 0.362 0 40 FCAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccnn3C)[C@H](N(C)C)[C@H]2O)c1 257343374 ZSSIIXGGRJRTII-BGTYHANMSA-N 374.441 0.670 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 306132677 LPDLNRFNMRMTJD-UPJWGTAASA-N 351.428 0.527 0 40 FCAB Cc1c([C@H]2CNC[C@@H]2C(=O)N2CCN(c3cnn(C)c3)CC2)cnn1C 649334024 CKJSCNCWMMXESN-SJORKVTESA-N 357.462 0.114 0 40 FCAB Cn1ncc2c(N3C[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4C3)ncnc21 664185982 UKBWSQAMMQQXGW-GASCZTMLSA-N 362.393 0.985 0 40 FCAB NCCCCCNc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 1775937646 LPILBSGWFJLZPU-ZDUSSCGKSA-N 358.398 0.629 0 40 FCAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5cncc(O)c5)C[C@@H]4C3)ncnc21 1888888083 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0.896 0 40 FCAB O=C(O)CNC(=O)CNC(=O)Cc1csc(-c2ccc(F)cc2)n1 20722905 SDGLORSTAFIJFL-UHFFFAOYSA-N 351.359 0.809 0 40 FCAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)Cn1cnnn1 21327400 SRJWNNZFAPIWIX-UHFFFAOYSA-N 360.374 0.241 0 40 FCAB CC(C)NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 22851149 CWMUSTKCUFYJEZ-AWEZNQCLSA-N 363.414 0.429 0 40 FCAB O=C1CN(C(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)CCN1 32074222 MGBRHSLDZIUUBO-UHFFFAOYSA-N 358.398 0.209 0 40 FCAB CC(C)(C)OC(=O)N1CCN(C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)CC1 34781524 CRVNXSLBKCUKJR-XJFOESAGSA-N 358.435 0.776 0 40 FCAB Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)O)O[C@H](C)C(=O)N2 34933733 GGQWMODILPLPKW-KOLCDFICSA-N 354.384 0.952 0 40 FCAB C[C@@]1(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1(Cl)Cl 36390964 JMQWZAMWRFCIEY-KCJUWKMLSA-N 357.259 0.380 0 40 FCAB COc1cc(CNC(=O)CCn2ccc(=O)[nH]c2=O)cc(OC)c1OC 38488663 XHGOVOULKRJLNP-UHFFFAOYSA-N 363.370 0.269 0 40 FCAB C[C@H](c1ccncc1)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 40150141 OKUFPCNGMXZZEF-LLVKDONJSA-N 353.382 0.860 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)cc1 40154917 AKVGUTRKXAPJKX-SMDDNHRTSA-N 372.468 0.523 0 40 FCAB CN(CC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1)S(C)(=O)=O 55900710 SVGUPDLJDMNSGL-UHFFFAOYSA-N 373.519 0.909 0 40 FCAB Cn1cc(CN2CCC[C@@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cn1 72380517 GRSBQEITNADWLY-OAHLLOKOSA-N 358.446 0.995 0 40 FCAB COC[C@H](O)CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 95451823 KOKFWBJXGVGCIF-GXTWGEPZSA-N 364.398 0.324 0 40 FCAB Cc1nn(C)cc1CN1CC[C@@H]2OCCN(S(=O)(=O)C3CC3)[C@H]2C1 108531431 AZKVVXIXXJWRSW-HOTGVXAUSA-N 354.476 0.496 0 40 FCAB Cc1ccc(S(=O)(=O)NCCNc2ncc(C(=O)O)c(=O)[nH]2)cc1 225007138 AAXJREWIBURZKK-UHFFFAOYSA-N 352.372 0.167 0 40 FCAB CN(C)c1ncc2c(n1)[C@@H]1CN(S(C)(=O)=O)C[C@H]1N(CC1CC1)C2 306130338 JCWKHFPUMNTTAJ-ZIAGYGMSSA-N 351.476 0.496 0 40 FCAB C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1136277133 ZUBLZGJRWFAXNF-UHFFFAOYSA-N 370.409 0.374 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccccn2)CC1 2055781414 BFTAXSWODGEYSN-UHFFFAOYSA-N 357.414 0.672 0 40 FCAB COCC(=O)N1CCOC[C@@]2(C1)CN(c1ccc(OC)cc1)C(=O)CO2 2055798658 SGBRZTBDRACPDA-GOSISDBHSA-N 364.398 0.302 0 40 FCAB Cn1cnc2ncnc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c21 2087043994 BNHORFSXKYYFAK-UHFFFAOYSA-N 358.427 0.874 0 40 FCAB CCOC(=O)C1=C[C@@](C)(C(=O)OCC)Nc2c(nc(OC)n(C)c2=O)N1 1638270 JPPFYLGPGPSPKH-INIZCTEOSA-N 366.374 0.395 0 40 FCAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(=O)OC)C1=O 2726010 FZCJTLALTJNXHE-MRXNPFEDSA-N 351.334 0.272 0 40 FCAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 3311432 KUQNAUVRSKBDDZ-MRZGDXHCSA-N 359.426 0.904 0 40 FCAB COc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N3CCOCC3)C2)cc1 4813918 JSRJJLWZHQOYHE-CYBMUJFWSA-N 369.443 0.800 0 40 FCAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC(N)=O)c1=O)CCCC3 6662601 FWRTXYADRIYDSX-UHFFFAOYSA-N 365.411 0.152 0 40 FCAB O=C(NCC(=O)N1CCC2(CC1)NCCc1[nH]cnc12)c1ccccc1F 9185752 OBRXCNFXJZQXAE-UHFFFAOYSA-N 371.416 0.942 0 40 FCAB CCn1nnc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)n1 10041333 KLSOZBQQUPAWAQ-UHFFFAOYSA-N 366.403 0.846 0 40 FCAB CN1CCN(n2ccc3c(cnc4nc(-c5ccncc5)nn43)c2=O)CC1 12391772 JZYHDERKORILKF-UHFFFAOYSA-N 362.397 0.385 0 40 FCAB CCC(CC)C(=O)NC[C@H]1O[C@@H](CC(=O)N2CCC(C)CC2)[C@H](O)[C@@H]1O 12603637 XMMXRBQPQJXSIS-CIRFHOKZSA-N 370.490 0.677 0 40 FCAB biogenic,in-vitro CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1CCC(N)=O 12778382 XREHRRJNPJLBCI-QMMMGPOBSA-N 366.403 0.350 0 40 FCAB COC(=O)C1CCN(C(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)CC1 13552888 GQTXZGGEJDAEGL-UHFFFAOYSA-N 373.409 0.882 0 40 FCAB COCCN(CCOC)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 15910097 PBMPYEZCVDQZJL-UHFFFAOYSA-N 362.382 0.806 0 40 FCAB CCN1C[C@H](C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)CC1=O 19526964 AZCAIEHFACQDIY-UONOGXRCSA-N 357.458 0.697 0 40 FCAB O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccn1 20720445 TZSVZSUTKPIKHX-AWEZNQCLSA-N 352.394 0.981 0 40 FCAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)no1 23079090 YARWIWISYCVKIX-UHFFFAOYSA-N 369.385 0.651 0 40 FCAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2cccnc2S)C[C@@H](C)O1 32914915 DGKONDOKGHOKMD-GHMZBOCLSA-N 359.473 0.539 0 40 FCAB Cc1c(C)c2ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)cc2oc1=O 35686297 FJSZVYRMDFEDNE-LBPRGKRZSA-N 363.322 0.833 0 40 FCAB COC(=O)c1ccc(N2CCN(Cc3nnc4n3CCCCC4)CC2)nn1 65479875 MYWOYMVCULYDFH-UHFFFAOYSA-N 371.445 0.903 0 40 FCAB CC(C)(CCCO)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 95459019 XTOVHAIYAPSFLU-UHFFFAOYSA-N 355.416 0.293 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 96005085 DACLVQDUAQGPTF-UHFFFAOYSA-N 363.461 0.526 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@@]2(COCCN(c3nncs3)C2)C1 96076809 XCDGWQCTUNDMFK-OAHLLOKOSA-N 353.448 0.120 0 40 FCAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON=C(c4cn(C)nc4C)[C@H]3C2=O)cc1 101343377 JBKOCJPJGSVWRK-GDBMZVCRSA-N 368.349 0.946 0 40 FCAB CC(C)OCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCO 217511504 PCZDDGDWGPUUDD-UHFFFAOYSA-N 360.432 0.882 0 40 FCAB Cc1ccc(S(=O)(=O)[C@]23OC(C)(C)O[C@@H]2[C@@H](O)[C@H]2CO[C@H]3O2)cc1 242495389 GDLOUXJFINZTDN-YMSVYLFOSA-N 356.396 0.733 0 40 FCAB O=C1CCC[C@]2(CN(C(=O)CN3CCOCC3)C[C@H]2c2ccccc2)N1 257258493 KUGCDWXSQGOGIC-FXAWDEMLSA-N 357.454 0.984 0 40 FCAB O=C(c1ccc[nH]1)N1CCN(c2nc3nc(C4CC4)cc(=O)n3[nH]2)CC1 390826593 ARZZXGAFMQMICI-UHFFFAOYSA-N 353.386 0.586 0 40 FCAB Cn1cnc(C(=O)N2CCOC[C@@H]2c2nccc(N3CCCCC3)n2)n1 585113130 GUDJEJPAFUESMA-CYBMUJFWSA-N 357.418 0.809 0 40 FCAB Cc1nc(/C=C/C(=O)N2CC[C@@H](O)[C@@H](O)[C@H](N3CCOCC3)C2)cs1 585290712 UTXUHZWSEIPVCH-KLSWABSNSA-N 367.471 0.120 0 40 FCAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)Cc1c[nH]c2ccc(F)cc12 643433100 OTHIQTYZLIFSCU-CYBMUJFWSA-N 354.359 0.560 0 40 FCAB Cc1nnc2n1C[C@@H](C(=O)NCCc1nc3ccc(F)cc3[nH]1)N(C)C2 644374537 DZIQAMNYZMVJJW-AWEZNQCLSA-N 357.393 0.775 0 40 FCAB CC(=O)N[C@@H]1CN(C(=O)Nc2cc(C)c(C)nn2)C[C@H]1c1ccnn1C 1615547328 DVUWODPBHLEGBO-ZIAGYGMSSA-N 357.418 0.963 0 40 FCAB CN(c1ncc(Cl)cn1)C1CCN(CC(=O)N2CCOCC2)CC1 1849876653 ODUJGEQNSZEIOT-UHFFFAOYSA-N 353.854 0.889 0 40 FCAB CCN=c1nc(N2CCN(c3nc(OC)cc(OC)n3)CC2)cc(C)[nH]1 1888857074 GVBOUHKFBDPOSU-UHFFFAOYSA-N 359.434 0.773 0 40 FCAB Cc1ccnc2nc(C(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)nn12 3313359 QGWZZZJTJVRUFB-UHFFFAOYSA-N 369.337 0.999 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H]2CCCO2)cc1OC 5008421 SKAFHOSBYBILAZ-VXGBXAGGSA-N 372.443 0.666 0 40 FCAB CCN(CC)C(=S)SC[C@@H](CN1C(=O)CCC1=O)S(C)(=O)=O 8775346 RXQABUPEJADGNB-SNVBAGLBSA-N 366.530 0.909 0 40 FCAB CCOC(=O)c1cnc(SCC(=O)N(C)CC(=O)NC(C)C)nc1N 9316997 GIRUKKQITPXQJL-UHFFFAOYSA-N 369.447 0.311 0 40 FCAB CCn1cc([C@H]2C[C@@H](C(=O)NC3CCCC3)N(C)S(=O)(=O)N2)c(C)n1 12130525 OZUFSLOEIGIFSJ-CABCVRRESA-N 369.491 0.850 0 40 FCAB Cc1cccc(N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 12586901 JKFTYGZGRGJNFM-OAHLLOKOSA-N 351.472 0.420 0 40 FCAB CC(=O)N1CCN(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 14095169 NGYGIWZKSSCSRH-UHFFFAOYSA-N 368.459 0.053 0 40 FCAB COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC2CC2)cc1C 15885406 WVQBBERDRJBLPK-UKRRQHHQSA-N 359.469 0.695 0 40 FCAB CCN(CC)S(=O)(=O)N1CCc2nc(C3CCNCC3)ncc2C1 19526470 IYZSAFPVKDWESV-UHFFFAOYSA-N 353.492 0.888 0 40 FCAB O=C(c1ccc(-n2cccn2)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 24083798 BAFHOWCHJBSZLE-QGZVFWFLSA-N 374.466 0.817 0 40 FCAB NC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)nc1 32916660 RDVMANZMXOFGOA-UHFFFAOYSA-N 368.393 0.914 0 40 FCAB NC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 34868068 QEXYXCVYSDFPAT-UHFFFAOYSA-N 362.249 0.241 0 40 FCAB O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCN(c2ncccn2)CC1 40068779 FYHQZULHSNPKOA-UHFFFAOYSA-N 368.372 0.674 0 40 FCAB O=C(NCc1ccc(-n2cccn2)nc1)c1cnc2nc(O)[nH]c(=O)c2c1 40153388 YSDGUHOHXQQAHL-UHFFFAOYSA-N 363.337 0.534 0 40 FCAB CN(C)S(=O)(=O)c1ccc2nnc(SCC(=O)NC(C)(C)C)n2c1 95944722 ZADGWCZYIKCPGX-UHFFFAOYSA-N 371.488 0.986 0 40 FCAB COCCNc1ccnc([C@@H]2COCCN2C(=O)C2CCOCC2)n1 96218655 YCZLSNPVKRSRBH-AWEZNQCLSA-N 350.419 0.861 0 40 FCAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)c1cccn1C)C2 96230501 HNSUPLCRVKWONV-LJQANCHMSA-N 353.426 0.983 0 40 FCAB C/C(=C\C(=O)NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 96313894 JMVMRPUNJHHTQV-ZHZWZMEUSA-N 354.403 0.649 0 40 FCAB O=C(CCn1ccc(=O)[nH]c1=O)NC1CCN(c2cc(C3CC3)[nH]n2)CC1 225752985 AKUGJHBQUAKZRE-UHFFFAOYSA-N 372.429 0.312 0 40 FCAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3cccs3)CC[C@@H]2O)CC1 257296633 RDQXJJMFWIBWSJ-GJZGRUSLSA-N 351.472 0.878 0 40 FCAB Cc1c(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cnn1C 585094347 MRMSLZOKGJJRNS-AWEZNQCLSA-N 356.492 0.992 0 40 FCAB O=C1CC[C@H](C(=O)N2CCc3ncc(-c4cnn(CC5CC5)c4)n3CC2)N1 585111561 WFPODAPCRWVDMG-OAHLLOKOSA-N 368.441 0.820 0 40 FCAB COCCN1CCO[C@H]2CN(C(=O)c3cn(C)nc3C(F)(F)F)C[C@H]21 1565550874 GZVQYUGDQAHQDA-NEPJUHHUSA-N 362.352 0.611 0 40 FCAB Cn1c(Nc2nnc(Cc3ccccc3Cl)c(O)n2)cc(=O)n(C)c1=O 4225162 VOUNXQBRNWXGHW-UHFFFAOYSA-N 374.788 0.962 0 40 FCAB CC(=O)N1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 4494622 WFGYOEPEZGKJDI-UHFFFAOYSA-N 352.354 0.205 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NC)CC2=O)cc1 12901089 MYHGQDJAPYLTPC-LBPRGKRZSA-N 353.444 0.816 0 40 FCAB CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C(N)=O 14185410 MKGVSYKKNFYZLY-UHFFFAOYSA-N 374.850 0.183 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccon2)c1 14773487 LJNBOSWGBVGWFX-UHFFFAOYSA-N 354.388 0.506 0 40 FCAB C[C@@H]1CN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 14914294 JMSJMFSDAUITHP-MGPQQGTHSA-N 369.487 0.490 0 40 FCAB Cc1cnc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cn1 23541976 SMOCYRQPLIUBEI-KRWDZBQOSA-N 368.393 0.909 0 40 FCAB O=C(CN1CCN(CCC(=O)N2CCc3ccccc32)CC1)NC1CC1 28900398 XXJKENPTMYYVOJ-UHFFFAOYSA-N 356.470 0.862 0 40 FCAB NC(=O)COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O 36365265 WOHKHKVQGNZLSZ-UHFFFAOYSA-N 357.410 0.822 0 40 FCAB CC(C)CN1CCO[C@@H](CNC(=O)NC[C@@H]2CN(CC(C)C)CCO2)C1 40050760 FQQIAQVBVSFZQJ-HDICACEKSA-N 370.538 0.999 0 40 FCAB COc1ccc(CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)cn1 58209746 HSLXIITYKITHLX-UHFFFAOYSA-N 356.448 0.561 0 40 FCAB O=C(COC(=O)CN1CCCS1(=O)=O)NC1(c2ccccc2)CCC1 61508978 VAHFJZYMLLPSNQ-UHFFFAOYSA-N 366.439 0.761 0 40 FCAB COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC(C(N)=O)CC3)n2)cc1 61718167 SAUAPBVFKZYNQZ-UHFFFAOYSA-N 370.409 0.643 0 40 FCAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H](CC(N)=O)C3CC3)ccc21 72297860 GCNOJXDOFLZCHX-ZDUSSCGKSA-N 351.428 0.393 0 40 FCAB Cc1cc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)no1 75165586 ZDVHKKRWPIKEBK-UHFFFAOYSA-N 366.399 0.568 0 40 FCAB CC(C)[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(N)=O 95457538 INSWNGIVOZXBTQ-QMMMGPOBSA-N 374.893 0.593 0 40 FCAB O=C(CCn1cnc2ccccc2c1=O)Nc1cc(-n2cncn2)ncn1 96098008 LWKJZGDGYRYWNU-UHFFFAOYSA-N 362.353 0.796 0 40 FCAB CN(C)C(=O)N1CCN(C(=O)c2ccncc2)C[C@]2(CC(=O)N(C)C2)C1 96143423 HNZZPODRDBRBLR-GOSISDBHSA-N 359.430 0.370 0 40 FCAB O=C(NC[C@@H]1CCCO1)[C@@H]1Cn2ccnc2C2(CCN(CCF)CC2)O1 96243789 INIQTQCYALCPAU-GJZGRUSLSA-N 366.437 0.838 0 40 FCAB CC(=O)N1CCN(c2c(NCCCNc3ccccc3)c(=O)c2=O)CC1 101442278 HTQJRUWBVKCUSN-UHFFFAOYSA-N 356.426 0.865 0 40 FCAB O=S(=O)(NCc1nccc(N2CCOCC2)n1)c1ccc(F)cc1 224173708 VWLPEASAFFTVFF-UHFFFAOYSA-N 352.391 0.931 0 40 FCAB Cc1nc2ccccc2n1CC(=O)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257221182 DNVQHSSRRQPPEN-SZVBFZGTSA-N 358.442 0.685 0 40 FCAB Cc1ccc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)cn1 257229038 FWKYTBCHAWAVLD-RBSFLKMASA-N 365.430 0.851 0 40 FCAB Cc1cc(C)n(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C(N)=O)C2)n1 257239074 HNVVVSVENWPYJK-QGZVFWFLSA-N 355.442 0.698 0 40 FCAB Cn1nccc1C(=O)N1C[C@H]2Cn3c(nnc3C(=O)NC3CCC3)C[C@H]2C1 306122977 ABFLFQPCKWKBMB-RYUDHWBXSA-N 369.429 0.238 0 40 FCAB CN(C)c1cc(N2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)ncn1 306123414 AMHBAMBQNKYRNU-SQWLQELKSA-N 370.457 0.762 0 40 FCAB C[C@@H](NC(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21)c1nnnn1-c1ccccc1 501367864 VFSSFTLBQNJYJA-BPLDGKMQSA-N 369.429 0.986 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 585096068 ZCDXXJZJEVONCN-CYBMUJFWSA-N 352.416 0.889 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)Cc3ccccn3)C[C@@H]21 585110231 ZDBHFQVTSAUHDH-TZMCWYRMSA-N 355.398 0.008 0 40 FCAB Cc1ccc(C[C@]2(CO)CN(C(=O)COc3ncccn3)CCO2)cc1 585276341 GNVSGNUZACOJOE-LJQANCHMSA-N 357.410 0.996 0 40 FCAB CO[C@]1(CC(=O)N(C)CCn2ccnc2C)COCCN(C(C)=O)C1 585280959 QTVPFYPNPBTPRH-KRWDZBQOSA-N 352.435 0.304 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(Cc2nnnn2-c2c(C)cccc2C)C1 643815045 DUPHZKLKXOKRBV-GOSISDBHSA-N 358.446 0.742 0 40 FCAB Cc1ccc(C(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(CCF)S4(=O)=O)O3)o1 2055844915 YFWBHCBSPGXRNY-ZLDLUXBVSA-N 358.391 0.555 0 40 FCAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)NC(N)=O 3380673 HZUHVTRJLREARO-JQWIXIFHSA-N 371.415 0.116 0 40 FCAB COCCCn1c(C)c(C)n2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 4314342 IZBXBLNAUCJYQM-UHFFFAOYSA-N 361.402 0.392 0 40 FCAB C/C(=C/C(=O)O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 4393813 AAPPOHWJHZRCNH-KHPPLWFESA-N 354.384 0.677 0 40 FCAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 5315266 RSTYEUNNKJSSFW-CQSZACIVSA-N 367.427 0.460 0 40 FCAB CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)C(=O)O 5706784 YVUXDVLDLAQYEC-CHWSQXEVSA-N 370.427 0.596 0 40 FCAB COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1S(N)(=O)=O 6558304 FAUMPUQZISMVHE-VIFPVBQESA-N 367.383 0.693 0 40 FCAB CN(C)CCNC(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6758343 TTXMBSQSPUQBJP-UHFFFAOYSA-N 369.443 0.914 0 40 FCAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@@H](C)Cn1cccn1 24804528 IFGFWYZAJABTQK-ZDUSSCGKSA-N 374.445 0.249 0 40 FCAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NCc1ccccn1 31817609 NQOHFOSHEQCZNP-CQSZACIVSA-N 352.394 0.867 0 40 FCAB O=C(COC(=O)C1(O)CCCC1)NC(=O)Nc1ccc2c(c1)OCCO2 32928505 IEGWQTYRDCVRPK-UHFFFAOYSA-N 364.354 0.954 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2cnn(-c3nc(C)cc(O)n3)c2C)CC1 35598412 SJFJRUGOCVEGDK-UHFFFAOYSA-N 374.401 0.899 0 40 FCAB O=S1(=O)CC[C@@H](NCCCCCCN[C@@H]2CCS(=O)(=O)C2)C1 40177463 DZWDRTXQHGORCA-ZIAGYGMSSA-N 352.522 0.100 0 40 FCAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2cccnc2-n2ccnc2)C1=O 44899573 DJXXZDDPQLPQMZ-GOSISDBHSA-N 368.397 0.604 0 40 FCAB Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cn1C 50256063 ACHNBAWCCODJGB-CQSZACIVSA-N 370.475 0.424 0 40 FCAB CCCn1c(N)c(C(=O)CN(C)CCOc2ccccc2)c(=O)[nH]c1=O 57386181 NIBKXOYJSZWUQW-UHFFFAOYSA-N 360.414 0.722 0 40 FCAB COC(=O)N1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2C)CC1 57447069 HEPFFESGNYGLPL-UHFFFAOYSA-N 355.416 0.603 0 40 FCAB O=C(CCc1nc(-c2nc[nH]n2)no1)NCc1cccnc1-n1cncn1 58264192 BBEYXBXHKDDYCR-UHFFFAOYSA-N 366.345 0.079 0 40 FCAB CN(Cc1cnn(C)c1)S(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1 84318454 KPOPAGZOIOZGOH-UHFFFAOYSA-N 369.491 0.431 0 40 FCAB CN(C)CCNC(=O)c1nc2c(n1C)CCN(C(=O)c1ccccn1)C2 96147103 AJQDVHMAZJWBPA-UHFFFAOYSA-N 356.430 0.305 0 40 FCAB CC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cn23)C1 96267701 ZAVJXUZODFRBSF-GDBMZVCRSA-N 370.457 0.841 0 40 FCAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]12 100054144 OWLWVHQPNQOEEB-VHSXEESVSA-N 366.171 0.829 0 40 FCAB COc1ccc(S(=O)(=O)NCC2(OC)CCSCC2)cc1C(N)=O 252570854 XKWFGVDVKDGZGC-UHFFFAOYSA-N 374.484 0.985 0 40 FCAB C[C@]1(O)CN(S(=O)(=O)N2CCOCC2)CC[C@@H]1Oc1ccccc1 257255278 KGWFAVGOPZGWND-HOTGVXAUSA-N 356.444 0.468 0 40 FCAB Cc1cc(=O)c(OCC(=O)Nc2ccccc2-c2nnn(C)n2)cn1C 524734226 LAJAGAVUZGSOQL-UHFFFAOYSA-N 354.370 0.902 0 40 FCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)NCCOCc2ccccc2)C1 673851591 ARKLJJDYUYMWSR-HNNXBMFYSA-N 355.460 0.926 0 40 FCAB COc1cnc(C(=O)N2C[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)nc1 1565549032 NPUNHTGOCZGXLL-GXTWGEPZSA-N 356.386 0.253 0 40 FCAB O=S1(=O)N=C(N2C[C@@H]3CN(Cc4ncon4)C[C@@H]3C2)c2ccccc21 1888930384 PBMOMAVVJHSFAU-TXEJJXNPSA-N 359.411 0.582 0 40 FCAB OC[C@@H]1O[C@H](Oc2c[nH]c3ccc(Br)cc23)[C@@H](O)[C@H](O)[C@H]1O 2517167 LINMATFDVHBYOS-HPCHECBXSA-N 374.187 0.109 0 40 FCAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)NC(N)=O 2655973 ZYFOKKITAFTZHG-JTQLQIEISA-N 372.381 0.863 0 40 FCAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)O 4027397 VVZFVPMPVCQRCY-MNOVXSKESA-N 371.438 0.219 0 40 FCAB biogenic CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 4697948 RBTVSVIVWPPCPT-JTQLQIEISA-N 374.440 0.215 0 40 FCAB C[C@H]1N(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1ccc(F)cc1 4985918 XECMBPJHBSRQOO-LBPRGKRZSA-N 357.407 0.930 0 40 FCAB COCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)n[nH]c1=O 12599015 FEWZEDWGIMTYST-UHFFFAOYSA-N 365.415 0.438 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1cccs1 12634529 NUJLYWMDQYFVSD-BTDICHCPSA-N 356.469 0.913 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 13008773 HFIUKGBCOGABGS-OAHLLOKOSA-N 374.484 0.680 0 40 FCAB COCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 16022141 CEUYDHYSQVRLSX-DICRZQGBSA-N 369.421 0.868 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(-n3cnnn3)c2)CC1 19310669 KJWGEAQUWNSGOO-UHFFFAOYSA-N 364.431 0.663 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 21890889 SFSLFVUWQWZBLB-UHFFFAOYSA-N 367.471 0.160 0 40 FCAB CC1(C)NC(=O)N(CCC(=O)OCC(=O)N2CCc3ccccc32)C1=O 24869941 HYVFXMKPRJWIBL-UHFFFAOYSA-N 359.382 0.839 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1cccc(C(F)(F)F)c1 25032402 RVBKPMHJIGUPPF-LBPRGKRZSA-N 374.315 0.974 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCNC(=O)c1ccco1 30584023 RRBXIJXKSKIZDO-GFCCVEGCSA-N 357.432 0.330 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)NC)c2)CC1 36310053 IQPRPAYOOZGCMG-UHFFFAOYSA-N 355.416 0.509 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)C1 41165931 WIGWQPGBOBIFBV-CYBMUJFWSA-N 363.443 0.669 0 40 FCAB O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)NC1CC1 85806597 LFZOPDITXQZUDB-UHFFFAOYSA-N 367.453 0.844 0 40 FCAB CN(C)C(=O)N1Cc2ncn(C)c2[C@H](COCCN2CCOCC2)C1 96045026 JXGBOPUZMNFZJS-AWEZNQCLSA-N 351.451 0.350 0 40 FCAB Cc1cnc(N2C[C@@H]3[C@@H](C(=O)NC(C)C)CCS(=O)(=O)[C@@H]3C2)nc1 96082964 KGKJFRKSFBPZHM-BFHYXJOUSA-N 352.460 0.549 0 40 FCAB CCS(=O)(=O)N1CCO[C@]2(COCCN(Cc3ccncc3)C2)C1 96229451 VQCFIMOOJZQMCX-INIZCTEOSA-N 355.460 0.335 0 40 FCAB O=C(c1cnc(O)nc1O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257247322 IYLOSZZQTKEVDS-AWEZNQCLSA-N 358.345 0.196 0 40 FCAB CCNC(=O)c1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1C 408622594 PKHZEPWASKHYAX-UHFFFAOYSA-N 353.444 0.631 0 40 FCAB Cn1cc(C(=O)N2CCC[C@@H](CS(=O)(=O)NCc3ccco3)C2)cn1 521396686 OUCORFRHJZMUGF-CYBMUJFWSA-N 366.443 0.985 0 40 FCAB Cc1ccoc1C(=O)N1Cc2ncn(C)c2C[C@H]1CNS(C)(=O)=O 585095018 ZVJAWSHDHNCOBS-NSHDSACASA-N 352.416 0.438 0 40 FCAB CC(C)N(CCO)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O 585291357 OBTHRQBLECRBAR-AEFFLSMTSA-N 370.877 0.519 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(COC)cc2)C1 643696051 HZYUTQNPJUGWFA-INIZCTEOSA-N 356.444 0.485 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C3(C)CCC(OC)CC3)C2)C1 685942806 QTLMPMGYLOLVRI-DTVQEZCTSA-N 351.447 0.387 0 40 FCAB CC(=O)c1cc(C(=O)N2CCn3c(COc4ncccn4)nnc3C2)n[nH]1 1565551406 DXRUGAZOQANSNF-UHFFFAOYSA-N 368.357 0.229 0 40 FCAB CCN1C(=O)C[C@H](C(=O)Nc2cc(C(N)=O)n(C)c2)[C@H]1c1nccn1C 1615588693 GUDUZQCVPIJJDR-FZMZJTMJSA-N 358.402 0.406 0 40 FCAB COCC(=O)N1CC[C@]2(C1)CN(c1ccsc1)C(=O)CN2C(C)=O 2055812385 DBXRYDAYMVIZLC-INIZCTEOSA-N 351.428 0.561 0 40 FCAB C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)NC(N)=O 3366477 JXFZTNRRKSVJQR-LURJTMIESA-N 372.357 0.936 0 40 FCAB Cn1c(=O)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2cccnc21 5303768 AOPSWWZQQFZEJE-UHFFFAOYSA-N 358.379 0.833 0 40 FCAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)NC1=NCCS1 7038873 PHGVEKVMHUYXQN-INIZCTEOSA-N 360.395 0.435 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CSc2ncnc3sccc23)CC1 8777578 CUFXJQJFAOHNCM-UHFFFAOYSA-N 372.497 0.887 0 40 FCAB Cn1c(=O)c2c(SCCC(N)=O)nc(C(C)(C)C)nc2n(C)c1=O 15241498 PDTURMQGXUIJBV-UHFFFAOYSA-N 351.432 0.292 0 40 FCAB COC(=O)C(=O)c1c(C(=O)OC)nc2nnc(N)n2c1-c1ccc(F)cc1 16942709 OQJBIWZBOXSKBO-UHFFFAOYSA-N 373.300 0.655 0 40 FCAB CCOC(=O)NC(=O)COC(=O)CN1C(=O)CSc2ccccc21 17132804 XIOHYLXGQSIYJZ-UHFFFAOYSA-N 352.368 0.941 0 40 FCAB O=S1(=O)C[C@H](NC[C@@H]2CCCO2)[C@@H](S(=O)(=O)c2ccccc2)C1 19796887 WSGJRSHGIHKBBB-QEJZJMRPSA-N 359.469 0.395 0 40 FCAB CN1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)[C@H](c2ccccc2)C1 30030638 DKWLZPFNZLWJRP-INIZCTEOSA-N 366.425 0.645 0 40 FCAB C[C@H](Sc1nnc(C2CC2)n1CC(N)=O)c1nc(N)nc(N(C)C)n1 32830990 DMRUAGKMPVSBTM-ZETCQYMHSA-N 363.451 0.327 0 40 FCAB C[C@]1(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1(Cl)Cl 36390963 JMQWZAMWRFCIEY-LDYMZIIASA-N 357.259 0.380 0 40 FCAB C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 52634702 ZDCMJTIRCCSCSN-LSDHHAIUSA-N 351.472 0.500 0 40 FCAB CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C 61131392 GSNNDGINASQQGI-CYBMUJFWSA-N 356.444 0.876 0 40 FCAB CCCNC(=O)Cn1cnc2nc(N3CCN(CC)CC3)sc2c1=O 67225963 NIUOVZZAOLXHHN-UHFFFAOYSA-N 364.475 0.521 0 40 FCAB Cc1cc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3C)cc2)n(C)n1 67896945 CRBIFTWMRGEZOZ-NVXWUHKLSA-N 358.398 0.871 0 40 FCAB biogenic,in-vitro C[C@H](C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)n1cncn1 95999345 JQSKZPMBDGHEEF-GFCCVEGCSA-N 361.427 0.442 0 40 FCAB O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1ccccc1F 96936886 SNTGRQFTYKINLL-UHFFFAOYSA-N 364.421 0.241 0 40 FCAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1C 223237167 WRKVVRCXCKAPBG-UHFFFAOYSA-N 356.444 0.782 0 40 FCAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)nn1 225449101 XCAVGAIVONIXMX-GFCCVEGCSA-N 358.402 0.815 0 40 FCAB CCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(N)=O)CC3)ccc21 225689963 PKHLNRRJKUZYRQ-UHFFFAOYSA-N 369.468 0.969 0 40 FCAB CNC(=O)Cc1csc(NC(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)n1 238925297 UOVADFGAMUZNFP-VIFPVBQESA-N 361.427 0.269 0 40 FCAB CCS(=O)(=O)CCN1Cc2cccn2C[C@H](C(=O)NCC2CC2)C1 253492701 QVURXLFSHRMUOH-OAHLLOKOSA-N 353.488 0.881 0 40 FCAB O=C(Cc1cccs1)N1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257330279 XNRDVVOUQIVSNK-GJZGRUSLSA-N 350.440 0.908 0 40 FCAB O=C(NCC1CC1)c1cn2c(nc1=O)C[C@@]1(CCN(C(=O)C3CC3)C1)C2 306128387 GZBLJTFDBCVODB-LJQANCHMSA-N 356.426 0.568 0 40 FCAB O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3cccnc3)C[C@H]1C2 306131749 KOSSYKBARAHEOB-HOTGVXAUSA-N 353.426 0.829 0 40 FCAB O=S1(=O)CC[C@H](NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575425650 VTZHHYYYAAUPJO-ZETCQYMHSA-N 359.256 0.963 0 40 FCAB Cc1cnn(C)c1S(=O)(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C 585094375 SQTOBAQFPZNIOI-CQSZACIVSA-N 356.492 0.992 0 40 FCAB O=C1CN(C(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)CCN1 604418535 MZJUXHMCUYINPX-UHFFFAOYSA-N 358.442 0.069 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(c2ncc(C(=O)N(C)C)cc2Cl)C1 643720547 HRZJCPDBXINKON-INIZCTEOSA-N 354.838 0.904 0 40 FCAB NC(=O)C1(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 676184259 YOMJILSGFDPMEE-AWEZNQCLSA-N 365.455 0.363 0 40 FCAB O=C(CN1CCOCC1)N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055739235 OOSJIRXPHPXKEL-ZDUSSCGKSA-N 362.430 0.216 0 40 FCAB OC[C@@H]1O[C@@H](Nc2ccc(OC(F)(F)Cl)cc2)[C@H](O)[C@H](O)[C@@H]1O 4185239 HYAPWJKIBHNHTO-VSSNEEPJSA-N 355.721 0.066 0 40 FCAB Cc1nc2c(s1)CN(C(=O)CNS(=O)(=O)c1c(C)noc1C)CC2 6756992 NRDBHNFKBJDIRN-UHFFFAOYSA-N 370.456 0.920 0 40 FCAB CCCCN1C[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O 8270728 ICCQROAQDAEAMW-AWEZNQCLSA-N 367.471 0.641 0 40 FCAB CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1 10899104 UTFVQKRVRNMYFZ-UHFFFAOYSA-N 361.427 0.811 0 40 FCAB COc1ccc(C2(CN[C@H]3CS(=O)(=O)C[C@@H]3O)CCOCC2)cc1 13726910 QBVMZOXXMVABGV-HOTGVXAUSA-N 355.456 0.491 0 40 FCAB CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 19498847 PNQOHLXVSVERKR-CYBMUJFWSA-N 368.459 0.551 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)NCc3cccnc3-n3cccn3)cnc21 24792598 QSYRDFRWYBCJMR-UHFFFAOYSA-N 364.369 0.027 0 40 FCAB COc1ccc(CN(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c(OC)c1 30915966 DFGJOKURQRVIBL-VQHVLOKHSA-N 373.409 0.773 0 40 FCAB CCc1cccc(C)c1NC(=O)Cn1c(=O)c(N(C)C)c(N)n(C)c1=O 32682501 MORDLVGYJFTOAQ-UHFFFAOYSA-N 359.430 0.705 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)N1 40033841 DAOWZXQROMLSHL-UHFFFAOYSA-N 356.382 0.628 0 40 FCAB O=C(NCCN1CCOCC1)C(=O)Nc1ccccc1Br 42645756 FBXMVTMKCDUDFP-UHFFFAOYSA-N 356.220 0.836 0 40 FCAB CCCCS(=O)(=O)N1CCN(CCNC(=O)c2cccnc2)CC1 72242620 PKRBFEZWSDMSLI-UHFFFAOYSA-N 354.476 0.559 0 40 FCAB Cc1c([C@H]2C[C@@H](C(=O)NC3CCCCC3)N(C)S(=O)(=O)N2)cnn1C 72335088 JNUMJODABUDJHY-CABCVRRESA-N 369.491 0.757 0 40 FCAB CC(C)CN1CCO[C@@H](CNC(=O)Cn2cnc3ncccc3c2=O)C1 73698018 YPHJOMHOJQAAMI-AWEZNQCLSA-N 359.430 0.265 0 40 FCAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1 95963759 RCTUEAFOSXRWJM-UHFFFAOYSA-N 374.485 0.664 0 40 FCAB CCOc1ccc(OCCNC(=O)CN(C)[C@]2(CO)CCOC2)cc1 96007184 HIQXRVSGQUEDEH-SFHVURJKSA-N 352.431 0.664 0 40 FCAB CC(C)NC(=O)N1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1 96251174 DBNIACWIUCRMTR-RDTXWAMCSA-N 360.462 0.954 0 40 FCAB OC[C@@H]1O[C@H](n2cnc3c(/C=C(/O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O 100135117 MHMCIRXDRBTNOZ-KIVANASASA-N 370.365 0.494 0 40 FCAB in-vitro CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 222967123 PDDZBDNZCVEFTD-GFCCVEGCSA-N 371.459 0.050 0 40 FCAB CS(=O)(=O)CCC(=O)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 247499163 DZFUPPIAIQAMAX-HNNXBMFYSA-N 354.476 0.687 0 40 FCAB CN1CCn2c(C(=O)NCC3CC3)nnc2C12CCN(C(=O)C1CC1)CC2 306125893 DEUQWANDNNCADV-UHFFFAOYSA-N 372.473 0.591 0 40 FCAB COCCNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1C 408618334 FMHLWOBWDGYTSD-ZDUSSCGKSA-N 356.444 0.829 0 40 FCAB Cc1c(C(=O)NC2CCN(c3nccn3C)CC2)nnn1-c1ccn(C)n1 551926822 GXIJAWKYZJITQT-UHFFFAOYSA-N 369.433 0.442 0 40 FCAB Cc1ccccc1C[C@@]1(CO)CN(CC(=O)Nc2ccn(C)n2)CCO1 585278678 QLHCVLFEZASJAA-IBGZPJMESA-N 358.442 0.973 0 40 FCAB C[C@@H]1CCn2ncc(C(=O)N[C@@H]3CCN(c4ccc5nncn5n4)C3)c2C1 628726931 YAMZHVGPEZWMMG-CHWSQXEVSA-N 366.429 0.912 0 40 FCAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(c2cc(N3CCN(C)C(=O)C3)ncn2)C1 643745126 SEDUQYYBZYOLIP-OLZOCXBDSA-N 357.418 0.445 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(C(=O)Cn2ccc3ccccc3c2=O)C1 644035751 XYWWFVFUOIWUDC-IBGZPJMESA-N 357.410 0.491 0 40 FCAB CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(OCC(=O)O)cc3)CCN2C1=O 659759938 LKLIHPRHSUKSTF-ZDUSSCGKSA-N 361.354 0.259 0 40 FCAB Cc1cn(CC(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)nc1C(F)(F)F 685941864 IOCOSWXNVKSHOO-WDEREUQCSA-N 359.308 0.896 0 40 FCAB Cn1cccc(C(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)c1=O 1565555932 JPFORRHTBUBCNY-DOTOQJQBSA-N 357.410 0.951 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 1565556066 WBDFWPGWLJATAF-KBPBESRZSA-N 364.471 0.610 0 40 FCAB CC1CC(C(=O)N2CCOC[C@]3(C2)CN(c2cncnc2)C(=O)CO3)C1 1614935075 UBBDGYDBEOVNGJ-JRSKDTKFSA-N 360.414 0.484 0 40 FCAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)CS(C)(=O)=O)C1 2055751116 JWSVYWRFEBIYON-KRWDZBQOSA-N 367.471 0.593 0 40 FCAB CCOCC(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055781423 CJFXUVZUWBHEFP-UHFFFAOYSA-N 362.352 0.916 0 40 FCAB CCCNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 4569228 NGDDLPRMSASMTD-CQSZACIVSA-N 367.471 0.791 0 40 FCAB O=C(C1=COCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 7723205 NTKDJMGSUHXZSN-UHFFFAOYSA-N 356.375 0.547 0 40 FCAB CC(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)O 13424846 VBVNAGGXPWGYAJ-WRGSQBHDSA-N 373.402 0.608 0 40 FCAB biogenic Cn1c(=O)c2c(nc(NCCN)n2Cc2ccccc2Cl)n(C)c1=O 13511056 JBRINWPGZGRBRS-UHFFFAOYSA-N 362.821 0.506 0 40 FCAB CCOC(=O)c1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 13956987 IFSAVDXGUZLIQG-UHFFFAOYSA-N 369.381 0.762 0 40 FCAB CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1 17073283 SKPXLYIJNUECJT-LOWDOPEQSA-N 354.384 0.411 0 40 FCAB CCN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929821 WPDVVZCOCBJOOG-UHFFFAOYSA-N 369.487 0.788 0 40 FCAB O=C(NCCN1CCOCC1)C1CCN(c2ncnc3[nH]cnc23)CC1 20623285 UICKNCQVPBBDGU-UHFFFAOYSA-N 359.434 0.018 0 40 FCAB C[C@H]1CN(CCNC(=O)Cn2nc(O)c3ccccc3c2=O)C[C@H](C)O1 22611924 HXCDDZRXEUIHIF-STQMWFEESA-N 360.414 0.328 0 40 FCAB CCOc1ccccc1CCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 25207381 BOLQNPMVHXHESM-UHFFFAOYSA-N 369.487 0.969 0 40 FCAB CS(=O)(=O)Nc1ccc(N2CCN(CCN3CCOCC3)CC2)cc1 36125975 KKAJFEWFEVYEHJ-UHFFFAOYSA-N 368.503 0.512 0 40 FCAB Cn1ncc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1-n1cccc1 40122633 MWVHXNVVMYUOPV-CYBMUJFWSA-N 365.459 0.612 0 40 FCAB COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)C(=O)N1CCOCC1 58202226 KGUCRYQOVDCIOI-CYBMUJFWSA-N 358.398 0.858 0 40 FCAB COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3ccccn3)C2)nn1 72389558 WELBMCWLLROOHX-CQSZACIVSA-N 372.429 0.602 0 40 FCAB Cc1nccn1C1(C(=O)O)CCN(C(=O)c2cnn3cccnc23)CC1 72425136 DMAOIMSEAACYDV-UHFFFAOYSA-N 354.370 0.950 0 40 FCAB Cc1cc(C)c(N(C[C@H](O)CN[C@@H](C)C(=O)O)S(C)(=O)=O)c(C)c1 95117178 NWHBZSVGBYFZQO-UONOGXRCSA-N 358.460 0.801 0 40 FCAB CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2N1C(C)C 96182671 ABFHXXBWLJLPBN-UPJWGTAASA-N 357.501 0.966 0 40 FCAB CC(=O)NCC(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239033 XTPLNJGRNUKNKS-SFHVURJKSA-N 359.382 0.507 0 40 FCAB CN(C(=O)c1cc(O)c2cccc(F)c2n1)[C@@H]1CS(=O)(=O)C[C@H]1O 97475573 KLMXHIGUTXMILJ-DGCLKSJQSA-N 354.359 0.309 0 40 FCAB O=C(O)c1cc(=O)n(-c2ccc(I)cc2)c(=O)[nH]1 222649355 GIRFMDZWOPBKOQ-UHFFFAOYSA-N 358.091 0.829 0 40 FCAB O=C(CN1CCOC1=O)NCc1nnc2ccc(-c3cccs3)nn12 244983921 IXSAGZPDVGWRSX-UHFFFAOYSA-N 358.383 0.921 0 40 FCAB CS(=O)(=O)NCC[C@H]1CCOC12CN(C(=O)Cc1cccs1)C2 247536026 QLEUXQWJXIIACR-LBPRGKRZSA-N 358.485 0.847 0 40 FCAB Cc1nc(C(=O)NCC[C@H]2CN(S(C)(=O)=O)Cc3ccnn32)cs1 248038790 OBNLBEAGRWWAQA-NSHDSACASA-N 369.472 0.784 0 40 FCAB Cc1cc(O)nc(N2CCC(NC(=O)c3cnn4cccnc34)CC2)n1 253537266 IIAIUZRSAXWLDF-UHFFFAOYSA-N 353.386 0.932 0 40 FCAB Cc1nonc1CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(=O)n(C)c2)C1 257250831 JOECLXBTXYMNJA-SFHVURJKSA-N 373.413 0.635 0 40 FCAB Cn1cc(CN2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)nn1 331588153 BUKBOGNXEDUBLG-ZDUSSCGKSA-N 353.423 0.897 0 40 FCAB NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2nccn3ccnc23)c1 511814221 MNELNLUUIKTXAI-UHFFFAOYSA-N 367.369 0.979 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](CS(=O)(=O)NCc2ccccn2)C1 521397037 NRKCKXWHJDAREF-YUELXQCFSA-N 353.444 0.384 0 40 FCAB CNC(=O)C1CCC(NC(=O)NCc2cccc(OCC(N)=O)c2)CC1 543673723 XFOVAMYERLESCO-UHFFFAOYSA-N 362.430 0.655 0 40 FCAB Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 548910570 RKPMZVJJLCSVNI-AWEZNQCLSA-N 360.462 0.794 0 40 FCAB CN(C)S(=O)(=O)c1cccc(CN2CCS(=O)(=O)C[C@@H]2C2CC2)c1 577934164 SVDBFLTZCLGJDZ-MRXNPFEDSA-N 372.512 0.946 0 40 FCAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3ccn(C)n3)CC2)C1 585104372 ZKBCRACOLJWHAR-HNNXBMFYSA-N 350.463 0.867 0 40 FCAB O=C1CC[C@H](C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)N1 585112256 NUQULSAAFPVXPI-CVEARBPZSA-N 354.410 0.940 0 40 FCAB COC(=O)/C=C1/C(=O)O[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 586106224 GHQNSEQBKJGFKW-PISUUVGWSA-N 351.380 0.268 0 40 FCAB CNS(=O)(=O)N1CCN(C(=O)NCCc2cccc(Cl)c2)CC1 663461197 ITBVYPVKJXUYGN-UHFFFAOYSA-N 360.867 0.674 0 40 FCAB CC(C)N(C)CC(=O)N1C[C@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 1565544706 OJSKVVIVXXVPTE-BZUAXINKSA-N 353.463 0.887 0 40 FCAB CC(=O)c1cc(C(=O)N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)n[nH]1 1565554017 ORPWWRLZCOKCSN-KRWDZBQOSA-N 356.386 0.615 0 40 FCAB COCCn1cnc2c(c1=O)OCCN(C(=O)c1cc(C3CC3)on1)C2 1565554562 AHTGUUSLSBKEEX-UHFFFAOYSA-N 360.370 0.790 0 40 FCAB O=C1CN2CCN(C(=O)c3cncnc3)C[C@@H]2COc2ccccc2N1 1772594831 ZMZZRMBDLNBIQE-CQSZACIVSA-N 353.382 0.634 0 40 FCAB CN1C[C@@]2(COCC1=O)CN(C(=O)CCc1cccc(F)c1)CCO2 2037985189 AAQZFCVKXPBFAH-SFHVURJKSA-N 350.390 0.845 0 40 FCAB O=C([C@@H]1CO[C@@H]2CCN(S(=O)(=O)C3CC3)C[C@@H]2C1)N1CCOCC1 2055730092 YTNOQDSWYZXWSL-KCQAQPDRSA-N 358.460 0.064 0 40 FCAB O=C(NCc1ccon1)[C@@H]1C[C@@]2(CO1)CN(Cc1ccncc1)CCO2 2056226688 XSGRYGPYDBPKLI-WMZOPIPTSA-N 358.398 0.746 0 40 FCAB Cc1cnn(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 2086881799 CPUVIQCGBVDPMX-UHFFFAOYSA-N 357.462 0.640 0 40 FCAB C[C@H](O)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCOc1ccccc1 4317956 KTDNTAUVOYZLIQ-LBPRGKRZSA-N 373.413 0.685 0 40 FCAB Cc1ccc(CN(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 5270390 PGZYNBYIQHJDKP-UHFFFAOYSA-N 369.425 0.709 0 40 FCAB CC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCC(=O)O 5482781 VSUYATCNELYCJH-AWEZNQCLSA-N 359.386 0.791 0 40 FCAB CSCC[C@@H](NC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)O 9046153 GZBCAUYLMFDKNK-LLVKDONJSA-N 351.384 0.425 0 40 FCAB biogenic COCCNc1nc2c(c(=O)n(Cc3ccccc3F)c(=O)n2C)n1C 13151503 XTIUVUZZXLHWBT-UHFFFAOYSA-N 361.377 0.679 0 40 FCAB CCCc1cc(=O)[nH]c(SCC(=O)NCCN2C(=O)CSC2=O)n1 16045146 HQFWPQIETSDGEJ-UHFFFAOYSA-N 370.456 0.626 0 40 FCAB O=C(CN1CCN(C(=O)NCCc2ccccc2)CC1)N1CCOCC1 17115850 RSMXZVCQBSIDLF-UHFFFAOYSA-N 360.458 0.415 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)NCc2nnc3ccccn23)CC1 24333306 WSUZDGKNNKJOIV-UHFFFAOYSA-N 351.432 0.407 0 40 FCAB CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CC1 24697220 WROLMCICXHEIDL-UHFFFAOYSA-N 370.450 0.076 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 31044567 JRTNSWDPGGQKQK-UHFFFAOYSA-N 370.431 0.049 0 40 FCAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(=O)[nH]c2)C1=O 32819170 XYQBKOZYASXEKD-SFHVURJKSA-N 354.366 0.963 0 40 FCAB C[C@@H]1CC(=O)Nc2c1c(NC(=O)C1CCN(S(C)(=O)=O)CC1)nn2C 35597819 INIWXIWHSSYOFX-SECBINFHSA-N 369.447 0.476 0 40 FCAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NC[C@H]1CCCO1 44893007 HYDGQJXBDVHACM-CYBMUJFWSA-N 357.370 0.328 0 40 FCAB C[C@@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccc2c(c1)OCCO2 71405383 DUABWWAVPDEFSK-SSDOTTSWSA-N 350.356 0.761 0 40 FCAB Cc1cc(NC(=O)[C@H]2C[C@H](c3cn(C)nc3C)NS(=O)(=O)N2C)no1 72335142 CDAXJABSJAOKQF-VXGBXAGGSA-N 368.419 0.243 0 40 FCAB COc1cc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)ncn1 96255686 JPCDHQGRNUKDGH-UHFFFAOYSA-N 355.446 0.632 0 40 FCAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2cnn(C)c2C)c2ccccc21 101451186 WXWCRTDLXSISAS-OAHLLOKOSA-N 355.398 0.569 0 40 FCAB COc1cc(C=c2sc3nc(=O)c(C)nn3c2=O)cc(OC)c1OC 254870870 IUBZRVSCYTYICA-UHFFFAOYSA-N 361.379 0.393 0 40 FCAB CN(C)C(=O)COC[C@@H]1C[C@H]2OCCN(C(=O)Cc3ccn(C)n3)[C@@H]2C1 585108289 PJPDAZROGWOBKL-NUEKZKHPSA-N 364.446 0.073 0 40 FCAB NC(=O)N1CCCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 588000880 QHCLTOTXIVCZEK-UHFFFAOYSA-N 366.443 0.354 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cc4nc[nH]c4cc3F)C2)C1 685942938 UVTZMUSEIFTRMB-VIFPVBQESA-N 359.361 0.121 0 40 FCAB Cn1cnc(C(=O)NCc2nn(C)c3sc(C(=O)NC4CCC4)cc23)n1 1565546621 AZSQAFCSUDBDIX-UHFFFAOYSA-N 373.442 0.976 0 40 FCAB COc1cnc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccncc2)nc1 2055747913 ZACXSVGKKWXHHL-JKSUJKDBSA-N 355.398 0.606 0 40 FCAB CN(C)S(=O)(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2ccco2)C1 2055772737 VSSVSCOZVMRKBF-BFHYXJOUSA-N 357.432 0.039 0 40 FCAB Cc1cncc(CN2CCO[C@]3(CO[C@H](C(=O)NCc4ccon4)C3)C2)n1 2056226192 MPZUFGRCSQXMBN-WMZOPIPTSA-N 373.413 0.449 0 40 FCAB CC(=O)OC[C@H]1O[C@@H](n2ccnc2S)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5423729 HRGXUZGRRGADBL-MROQNXINSA-N 358.372 0.496 0 40 FCAB CC(C)[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NC(N)=O 7134526 PGIKQQJOZLJNQS-LLVKDONJSA-N 360.461 0.644 0 40 FCAB CCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7281092 CUYBDUGOJFTUSO-VIFPVBQESA-N 361.851 0.845 0 40 FCAB CCN(C(=O)[C@@H](C)Sc1nc(N)cc(N)n1)[C@@H]1CCS(=O)(=O)C1 11391870 HRVGIXFDLJARNH-RKDXNWHRSA-N 359.477 0.157 0 40 FCAB Cn1ncc2c(=O)n(CCC(=O)NC(C)(C)CN3CCCCC3)cnc21 19716257 GCOPFEQRAZUVLQ-UHFFFAOYSA-N 360.462 0.901 0 40 FCAB CC1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNC(=O)c2cccc(F)c2)CC1 20465992 YTCKRZCJZAGSFT-VSZNYVQBSA-N 366.433 0.777 0 40 FCAB biogenic,in-vitro CN1CCN(C(=O)[C@@H]2CCCN(c3nc(Cl)nc4nc[nH]c34)C2)CC1 20650568 FFGQBFUUPDRQIX-LLVKDONJSA-N 363.853 0.997 0 40 FCAB Cn1cc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O 24193300 CTKYOPZNIZVDHC-CMDGGOBGSA-N 368.437 0.442 0 40 FCAB CCc1ccc(C(=O)N2CCN(C(=O)Cn3cccnc3=O)CC2)cc1 24621053 WZUYCQFSICVJBY-UHFFFAOYSA-N 354.410 0.790 0 40 FCAB C[C@H]1CN(CCCNC(=O)Cn2nnc3ccccc3c2=O)C[C@H](C)O1 32795963 GSFRXIXPJIMGLI-KBPBESRZSA-N 359.430 0.407 0 40 FCAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)NC(N)=O 32910685 LSCKZDPWZWEYLH-GFCCVEGCSA-N 357.313 0.457 0 40 FCAB O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)NC[C@H]1CCCO1 35315629 JVUNFEYQKLDWRJ-CQSZACIVSA-N 371.393 0.977 0 40 FCAB C[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccccc1 56758372 RUBRHHSLHRQYKS-JSGCOSHPSA-N 353.444 0.425 0 40 FCAB COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 95472011 YFMFTSZUHCTYNX-CQSZACIVSA-N 369.487 0.696 0 40 FCAB COC(=O)CCN(CC(OC)OC)S(=O)(=O)c1ccccc1OC 95943768 ZPBZMIFIKZTOAN-UHFFFAOYSA-N 361.416 0.868 0 40 FCAB COc1ccccc1N1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)CC1 101944316 DVRGCYXXWBWGPY-NXOAAHMSSA-N 358.394 0.998 0 40 FCAB Cc1ccc(CN2CC[C@@](O)(CNC(=O)c3cnco3)[C@H](O)C2)s1 257226570 FLFBIXVILJWHIW-GDBMZVCRSA-N 351.428 0.772 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cncnc2C)CCN1CCc1ccccc1 257341360 ZKABFTOPBGWSBC-SFHVURJKSA-N 367.453 0.900 0 40 FCAB CN(C1CC1)S(=O)(=O)N(CC(=O)O)Cc1ccc2c(c1)OCCO2 681586111 ASUDGYSNIIXBAT-UHFFFAOYSA-N 356.400 0.683 0 40 FCAB O=C1C[C@H]2[C@H](CCN2C[C@@H](O)CO)N1Cc1ccc(-n2cccn2)cc1 1565541741 SSJVWGANQMXCKK-SQNIBIBYSA-N 356.426 0.401 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)n1 1614931194 VRFSYJRLIOLPCF-CXAGYDPISA-N 356.386 0.470 0 40 FCAB COc1ccccc1S(=O)(=O)NC[C@@H]1CNC[C@H]1c1cncn1C 1615588267 AQIAGMXDXMVGOP-QWHCGFSZSA-N 350.444 0.710 0 40 FCAB COC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(OC)c(OC)c(OC)c1 1609282 FVBARFSEWRDTNW-VHSXEESVSA-N 368.386 0.508 0 40 FCAB CC(C)(CNC(=O)OCc1ccccc1)[C@@H](O)C(=O)NCCC(=O)O 1897021 HXNQUXBNTDEWKY-AWEZNQCLSA-N 352.387 0.891 0 40 FCAB O=C(COn1nnc2ccccc21)NC(=O)Nc1ccc2c(c1)OCCO2 3350783 CUESJBJYRLZDFU-UHFFFAOYSA-N 369.337 0.979 0 40 FCAB Cc1cc(C)n2c(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)nnc2n1 4166580 LGNKHVBIYNHNNY-NSHDSACASA-N 369.472 0.479 0 40 FCAB COc1ccc(OC)c(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)c1 4270183 JMQKAYMGFFBXOW-UHFFFAOYSA-N 369.399 0.210 0 40 FCAB COc1ccc([C@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 4495861 PWGGLSDTFYJKIA-LBPRGKRZSA-N 355.350 0.461 0 40 FCAB Cn1c(=O)c2c(nc3n(CC(=O)O)c(-c4ccccc4)cn23)n(C)c1=O 5251885 SDXZFHODHJRBPV-UHFFFAOYSA-N 353.338 0.438 0 40 FCAB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)N(C)C1=S 8091402 WLOYKBQHWQRPNG-YHYXMXQVSA-N 366.395 0.982 0 40 FCAB CC(C)n1cnnc1S[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 9054535 GLEANQOOIGPYFJ-QMMMGPOBSA-N 352.420 0.202 0 40 FCAB COC(=O)CC[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)OC 13655522 LRTYLHLIHPDRAL-NSHDSACASA-N 352.343 0.709 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2nnc3ccccn23)cc1 14115257 HFBWDDKXQGFMBE-UHFFFAOYSA-N 373.438 0.952 0 40 FCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(C)cc1 20674595 DXYCHLKVKHZTMJ-HOTGVXAUSA-N 372.425 0.475 0 40 FCAB O=CN1CCN(C(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 27986951 VHNDLHDDAHTBIG-UHFFFAOYSA-N 365.455 0.822 0 40 FCAB Cn1nc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)ccc1=O 38946753 OHROOYUKTOVDNX-HZPDHXFCSA-N 366.421 0.868 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)cc1 40154919 AKVGUTRKXAPJKX-BXUZGUMPSA-N 372.468 0.523 0 40 FCAB CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(c3ncccn3)CC2)C1 43821954 DJFCURLQLDTQQA-INIZCTEOSA-N 362.478 0.665 0 40 FCAB C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 48273337 VZMNBDRCFIPQEV-AAEUAGOBSA-N 368.459 0.587 0 40 FCAB Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)Nn4cnnc4)C3)ncn2)n1 70638177 BRGRNTXHTLVHKQ-CQSZACIVSA-N 367.417 0.857 0 40 FCAB COc1ccc(N2CCN(C(=O)CCN(C)[C@@H]3CCN(C)C3)CC2=O)cc1 82137038 LCGNLOHGNIDXRS-QGZVFWFLSA-N 374.485 0.896 0 40 FCAB Cc1nc(NCCNC(=O)[C@@H]2CCC(=O)N2)cc(Nc2ccccn2)n1 85472260 DYDRNYOTBJYXDF-LBPRGKRZSA-N 355.402 0.730 0 40 FCAB O=C(NCCCN1CCS(=O)(=O)CC1)c1ccccc1-n1cccn1 95987089 FIWKGHRSYIVQAW-UHFFFAOYSA-N 362.455 0.723 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CCN(S(=O)(=O)C1CC1)C2 96036200 PTTRTNLSDLWUNC-KRWDZBQOSA-N 371.503 0.517 0 40 FCAB Cc1oncc1C(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C 96050309 FQQBKXVMVJRFLF-GOSISDBHSA-N 355.398 0.941 0 40 FCAB Cn1nnc2c(N3CC(C(=O)Nc4ccc5c(c4)OCO5)C3)ncnc21 96096750 ZEYTVDGTRLYZLG-UHFFFAOYSA-N 353.342 0.562 0 40 FCAB CN(C)CCN1[C@]2(CCN(S(C)(=O)=O)C2)c2ccccc2S1(=O)=O 96143079 JZFJLRSDMSWBTD-HNNXBMFYSA-N 373.500 0.113 0 40 FCAB CCN(CC)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)C1CC1)CCC2 96197557 BASWISVBQFDIOH-UHFFFAOYSA-N 354.476 0.783 0 40 FCAB COCCNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccn2)c1 97165305 NFXHAYCBJJGPLA-UHFFFAOYSA-N 371.440 0.807 0 40 FCAB CS(=O)(=O)N1CCO[C@H]2CCN(C(=O)c3cccnc3O)CC[C@H]21 107803273 XXSKVHZCNKURFU-OLZOCXBDSA-N 355.416 0.052 0 40 FCAB Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2c(C)noc2C)n1 224184288 YOFGUYWODVVWTJ-UHFFFAOYSA-N 367.431 0.705 0 40 FCAB CN(C)c1ncc(C(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)cn1 257302541 SDGUFCPCMPYASY-AWEZNQCLSA-N 358.402 0.512 0 40 FCAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1cnco1)O[C@H](C)C(=O)N2 585272947 POOWSZVTGKBAFC-MRVPVSSYSA-N 351.340 0.821 0 40 FCAB CC(=O)N1CCOC[C@@](O)(CC(=O)N(CCO)Cc2ccccc2)C1 585280840 PUQRWEMFKYXTBG-GOSISDBHSA-N 350.415 0.007 0 40 FCAB CCc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)n(C)n1 635162987 RQOITSWCWPYKRY-UHFFFAOYSA-N 360.418 0.675 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)CCO1 681943759 OMALBJDINFZXDE-OAHLLOKOSA-N 362.382 0.396 0 40 FCAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2CS(=O)(=O)NC)cc1 1634690845 ISWWGIFUVCHQKQ-AWEZNQCLSA-N 351.428 0.965 0 40 FCAB CCN1C[C@@]2(COCCN(C(=O)Cc3noc4ccccc34)C2)OCC1=O 2055784331 JNSBPPCFMBCGMX-LJQANCHMSA-N 373.409 0.847 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(Cc5nc(C)no5)C[C@@H]4C3)nn12 2086866056 MVZQSRJOHOFFTC-CHWSQXEVSA-N 354.418 0.946 0 40 FCAB Cn1c(=O)c2c(nc3n2CC(=O)N(CCc2ccccc2)C3)n(C)c1=O 4370598 JONSRLDCSLPKRB-UHFFFAOYSA-N 353.382 0.019 0 40 FCAB CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCO2 5006369 GYNQFLDWCAEANZ-GFCCVEGCSA-N 356.400 0.477 0 40 FCAB COCCNC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 5321478 LXQSZLSGKVOMLR-QWHCGFSZSA-N 363.414 0.315 0 40 FCAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 8935779 BITNWPPXDNSVGD-GFCCVEGCSA-N 366.468 0.846 0 40 FCAB CCn1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2CCO)c(C)n1 12390552 HSHRFDRNNBBIGY-NVXWUHKLSA-N 365.455 0.853 0 40 FCAB COCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 12798275 IYBIUIFRUDTRHM-UHFFFAOYSA-N 362.835 0.737 0 40 FCAB COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)c1cnn(C)c1 12852301 ZAVOEHDYEMZDGG-UHFFFAOYSA-N 363.370 0.919 0 40 FCAB C[C@@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3CCN1CCOCC1 19818750 OBPNNCLEWAIVTQ-NSHDSACASA-N 358.398 0.182 0 40 FCAB O=C(N1CCOCC1)N1CCC(NS(=O)(=O)c2cccs2)CC1 27342030 ABBNKNLIJYFRAA-UHFFFAOYSA-N 359.473 0.943 0 40 FCAB CN1CC(=O)N(CCCC(=O)NCc2ccc(N3CCCC3)nc2)C1=O 40068240 SDAXRPAHDBTGNK-UHFFFAOYSA-N 359.430 0.972 0 40 FCAB COCC(=O)N1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1 40122348 WBQQJNNBBLLUCG-UHFFFAOYSA-N 361.398 0.692 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCc1nc2ccccc2[nH]1 47429059 HFBKPIKAKFTAGN-UHFFFAOYSA-N 363.377 0.925 0 40 FCAB COCCN(CC(N)=O)C(=O)c1nnn(-c2ccc3ncccc3c2)c1C 66769006 ZUNMLZLRJPDAPI-UHFFFAOYSA-N 368.397 0.698 0 40 FCAB Cc1nc(CCCNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)n[nH]1 72307668 DGSMBRKBMNGYMQ-UHFFFAOYSA-N 372.472 0.965 0 40 FCAB CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 84208317 UIRVYEXLROZEAU-AWEZNQCLSA-N 371.441 0.830 0 40 FCAB O=C(O)C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CCO1 91292490 UGWOBOZYXCYYSO-SNVBAGLBSA-N 359.176 0.313 0 40 FCAB Nn1c(S[C@@H]2CCS(=O)(=O)C2)nnc(Cc2ccccc2)c1=O 217376633 RIPXDZULIRCLMO-LLVKDONJSA-N 352.441 0.222 0 40 FCAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N2CCC(C(N)=O)CC2)s1 223172430 WGFQQROEADTPNW-UHFFFAOYSA-N 361.449 0.019 0 40 FCAB CCc1nccn1CC(=O)NC[C@]1(O)CCCN(c2cc(C)ncn2)C1 257238560 HLOZZVNHFPQNBM-GOSISDBHSA-N 358.446 0.692 0 40 FCAB CC(=O)N(C)[C@H]1CC2(CCN(C(=O)CCC(=O)O)CC2)OC[C@]1(C)O 257312692 UPDCQLZOCCNDTL-BBRMVZONSA-N 356.419 0.231 0 40 FCAB C[C@]1(C2CCN(C(=O)c3ccc(C(=O)O)cc3F)CC2)NC(=O)NC1=O 262350826 HGUQONSAFUPQGP-QGZVFWFLSA-N 363.345 0.974 0 40 FCAB C[C@H](C(=O)NCCCN1CCOCC1)N(c1ccccc1)S(C)(=O)=O 408615138 MJOWWZFRCCYGSS-OAHLLOKOSA-N 369.487 0.680 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 409255414 KDXZENYOLOTFCW-GFCCVEGCSA-N 353.444 0.386 0 40 FCAB O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(CC3CC3)C2)C1 514288813 FSHZGTGYJVMBNV-RBUKOAKNSA-N 355.482 0.971 0 40 FCAB biogenic,in-vitro O=C(CCc1cncnc1)N1CC[C@H]2C[C@H](C(=O)N3CCOCC3)O[C@H]2C1 585108613 MHWMGNBTLPQXMI-BBWFWOEESA-N 374.441 0.274 0 40 FCAB Cc1ccc(C[C@@]2(CO)CN(C(=O)CCn3nnnc3C)CCO2)cc1 585278187 MTSRRVRVMMOAFF-SFHVURJKSA-N 359.430 0.513 0 40 FCAB CC(=O)N1CCN(C(=O)[C@@H](C)n2cc3c(n2)CC(C)(C)CNC3=O)CC1 634559518 VEBWIKDJEWTWRE-GFCCVEGCSA-N 361.446 0.447 0 40 FCAB O=C1CO[C@H](C(=O)NCc2noc(C3CCCC3)n2)[C@@H](c2cccnc2)N1 1529114075 KKSXNJDUHSEWGK-CVEARBPZSA-N 371.397 0.995 0 40 FCAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 8325243 YLQYIIJDNZTSCB-JTQLQIEISA-N 357.432 0.847 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CSc2nnc(N)s2)c2ccccc2O1 9501544 YFERDXQSRUJDCV-JTQLQIEISA-N 365.440 0.753 0 40 FCAB Cc1nc2c(c(=O)[nH]1)CN(C(=O)Cn1cnc3ccccc3c1=O)CC2 12732772 ZBMLOBKCNYLJOF-UHFFFAOYSA-N 351.366 0.373 0 40 FCAB COCCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20458051 JHUNRSWRCYAXFX-UHFFFAOYSA-N 356.444 0.615 0 40 FCAB CN1CCc2c1nc1ccccc1c2NC(=O)CN1CCN(CCO)CC1 22576929 YAEYIODLPQKZRD-UHFFFAOYSA-N 369.469 0.776 0 40 FCAB Nc1nccnc1C(=O)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 22989912 TYIVYRFMEMENQI-UHFFFAOYSA-N 365.397 0.025 0 40 FCAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3COCCO3)n2)cc1 35315856 CIVMFFKBJQLCHN-OAHLLOKOSA-N 359.382 0.451 0 40 FCAB CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(CCN1CCOCC1)C2=O 35333107 SMUVXESYXJECNU-KRWDZBQOSA-N 356.426 0.811 0 40 FCAB CNC(=O)c1ccccc1C(=O)NCCc1nc(-c2cnccn2)no1 35587947 SULPQRNOLJLYML-UHFFFAOYSA-N 352.354 0.859 0 40 FCAB COC(=O)c1ccc(C)c(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 40051895 BFMVYTQZUZHZOO-CYBMUJFWSA-N 355.412 0.806 0 40 FCAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 40287256 VXLAQZQOQBYUJB-HNNXBMFYSA-N 357.418 0.510 0 40 FCAB C[C@@]1(NC(=O)CN2CCN(c3ccccc3)CC2)CCS(=O)(=O)C1 57449676 CTUCYBZZBVSVSG-QGZVFWFLSA-N 351.472 0.502 0 40 FCAB CCOC(=O)c1cccc(S(=O)(=O)N2CCN([C@H](C)C(N)=O)CC2)c1 75107117 KGVJIPRNUBCVRK-GFCCVEGCSA-N 369.443 0.043 0 40 FCAB O=C(c1ccc(N2CCCC2)nn1)N1CCN(S(=O)(=O)C2CC2)CC1 75172631 NMIKVSPWFIRLTE-UHFFFAOYSA-N 365.459 0.327 0 40 FCAB CC(=O)N1CCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)CC1 85875566 WHYKFYRITVUVFN-UHFFFAOYSA-N 370.409 0.412 0 40 FCAB biogenic COc1cccc(-c2cc(C(=O)NCCc3nc(N)cc(=O)[nH]3)[nH]n2)c1 91657312 GENRPYUBPKPHFZ-UHFFFAOYSA-N 354.370 0.723 0 40 FCAB COc1cc(N2CCC3(CC2)CN(c2cnn(C)c2)C(=O)CO3)ncn1 96159178 DSYVDCCNZJEKJP-UHFFFAOYSA-N 358.402 0.621 0 40 FCAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4cn(C)nc4C)[C@@H]3C2=O)cc1 101343380 JBKOCJPJGSVWRK-HOCLYGCPSA-N 368.349 0.946 0 40 FCAB CN1C[C@@H](C(=O)O)CN2CCN(C(=O)c3ccc4[nH]ccc4c3)C[C@H]2C1 107768744 ZOGJLSPFHMPGFU-HZPDHXFCSA-N 356.426 0.941 0 40 FCAB COc1nccnc1O[C@@H]1CCN(S(=O)(=O)c2c(C)noc2C)C1 225390361 FTYINYKOYFANAM-LLVKDONJSA-N 354.388 0.932 0 40 FCAB Cc1cc(C(=O)N2CC3(C2)OCC[C@H]3CCNS(C)(=O)=O)cc(C)n1 247542318 SOFPPHCFFXRYDX-OAHLLOKOSA-N 367.471 0.869 0 40 FCAB CC(=O)N1CCC(N2CCN3[C@@H](C2)CN(S(C)(=O)=O)CC3(C)C)CC1 253406496 UQMUNHWYRYBNHU-INIZCTEOSA-N 372.535 0.037 0 40 FCAB biogenic,in-vitro CC(=O)NCc1ccnc([C@@H]2CN(C(=O)c3c(C)noc3C)CCO2)n1 257269214 MPAWKJLJOPDWTJ-AWEZNQCLSA-N 359.386 0.931 0 40 FCAB COc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)cc1 306126793 FFKXDDFZBFKRKI-GOSISDBHSA-N 358.398 0.126 0 40 FCAB CN(C)C(=O)N1CC2(C1)[C@@H](COCc1ccccn1)CCS2(=O)=O 306133282 MHKQGAXLUARNHU-CYBMUJFWSA-N 353.444 0.769 0 40 FCAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)c1 409281368 MGOLQXYAZJUVQQ-UMCXVIDHSA-N 371.345 0.659 0 40 FCAB CCn1nc(C)c(S(=O)(=O)NCCn2nc(C3CC3)ccc2=O)c1C 575609312 VOYXOYFIUNFGDQ-UHFFFAOYSA-N 365.459 0.932 0 40 FCAB COCCN1CC[C@@]2(CN(C(=O)c3cnccn3)CC(F)(F)C2)C1=O 585093110 CMVDNQSAGNOYFS-OAHLLOKOSA-N 354.357 0.823 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1nn(C)cc1Br 643947585 ZOXIDJXZDWFMAM-ZDUSSCGKSA-N 359.224 0.550 0 40 FCAB CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@H]1CCN(c2ccncc2)C1 1641834725 WXCMUEAJSMMDBI-GFCCVEGCSA-N 353.386 0.298 0 40 FCAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)CC2CCOCC2)CC1 2055746484 MWIHOJAGFCOMBL-UHFFFAOYSA-N 363.462 0.756 0 40 FCAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)CC)C[C@H]4C3)ncnc21 2086988593 QSRYAVJKZMZSDM-VXGBXAGGSA-N 350.448 0.564 0 40 FCAB O=C(CN1C(=O)COc2ccccc21)N1CCN(c2ncccn2)CC1 6851556 SXBSFKCMENTOLL-UHFFFAOYSA-N 353.382 0.551 0 40 FCAB COc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2)cc1 8158928 RPBVPGNIINSGJQ-UHFFFAOYSA-N 370.452 0.952 0 40 FCAB CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 9060688 MIPVZRGLDGBKEY-CHWSQXEVSA-N 353.469 0.850 0 40 FCAB CCn1cc([C@@H]2C[C@H](C(=O)NC3CCCC3)N(C)S(=O)(=O)N2)c(C)n1 12130530 OZUFSLOEIGIFSJ-LSDHHAIUSA-N 369.491 0.850 0 40 FCAB CN(CC(=O)NC1CC1)c1ccc(S(=O)(=O)NCc2ccco2)cn1 12748034 OEPWQPPFKJMASW-UHFFFAOYSA-N 364.427 0.868 0 40 FCAB Cn1cc(S(=O)(=O)NCCc2cccc3cccnc23)c(=O)n(C)c1=O 14899529 XWKVKGFVXKHBFD-UHFFFAOYSA-N 374.422 0.153 0 40 FCAB Cn1c(N)c(C(=O)CN2CCC(Cc3ccccc3)CC2)c(=O)n(C)c1=O 16474850 BCBSXVWEZGHHFY-UHFFFAOYSA-N 370.453 0.804 0 40 FCAB NC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)CN1CCCC1 19697313 QEEOALCVCNHYJS-UHFFFAOYSA-N 353.426 0.997 0 40 FCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1cccc(C)c1 20801443 SKRXTHMILLGYIN-HOTGVXAUSA-N 358.442 0.949 0 40 FCAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNn3nnnc3N)o2)c1 22111537 LPIPTJMIVVSLFI-UHFFFAOYSA-N 372.341 0.832 0 40 FCAB Cc1cccc(N2CCN(CCNC(=O)CN3CSCC3=O)CC2)c1 23172321 LHGCSTBAJCNZPM-UHFFFAOYSA-N 362.499 0.766 0 40 FCAB O=CN1CCN(C(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 36366318 HETPMFMIRQEBFL-UHFFFAOYSA-N 372.425 0.551 0 40 FCAB COc1ccc(CCN2CCN(CC(=O)NC(=O)NC3CC3)CC2)cc1 58180072 DVOCFJCDYMHDHO-UHFFFAOYSA-N 360.458 0.844 0 40 FCAB COC[C@@H](C)N(C)C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 58268160 YHNLEJQMOCBIOA-GFCCVEGCSA-N 374.459 0.866 0 40 FCAB O=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCN(Cc2ccncc2)CC1 70839027 HTHMJKZOKDFKGG-UHFFFAOYSA-N 364.471 0.150 0 40 FCAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)C1CN(C(=O)c3ccccc3)C1)C2 96000258 TTYBGWBQVAWNST-OAHLLOKOSA-N 374.466 0.950 0 40 FCAB O=C(N1CCOCC1)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 96230239 ITHUDMJJZSEZBO-UHFFFAOYSA-N 372.469 0.905 0 40 FCAB CN1CCN(c2ncnc3c2CCN(C(=O)c2cscn2)CC3)CC1 96255690 KLTYYPBAMXZLNQ-UHFFFAOYSA-N 358.471 0.926 0 40 FCAB Cc1ccn2c(NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)nnc2c1 245851165 CAQUJNHABAQWSH-UOVKNHIHSA-N 351.366 0.783 0 40 FCAB CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C[C@@H]1C(N)=O 257216758 CVXVAGZKUPDQCF-LLVKDONJSA-N 358.320 0.567 0 40 FCAB CN[C@H]1CC2(CCN(C(=O)CCn3nccc3C)CC2)OC[C@]1(C)O 257314104 UVHVUYBGSAFPBG-RDJZCZTQSA-N 350.463 0.702 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCO)CC2)cc1 298670790 OLQPUPVXRNODBP-UHFFFAOYSA-N 370.471 0.985 0 40 FCAB COc1cccc(/C=C(/C(=O)N2CCO[C@H](C(=O)O)C2)n2nnnc2C)c1 583650525 BHLBMMKWLYFYPF-MZLJFPOFSA-N 373.369 0.300 0 40 FCAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccccc2F)Cc2ccnn21 585111630 DRLSHZXYGDZVGG-GFCCVEGCSA-N 352.391 0.904 0 40 FCAB Cc1cncc(N2CCC(Cn3nc(-n4cncn4)ccc3=O)CC2)n1 585500795 PIBHOFZXKMKHGE-UHFFFAOYSA-N 352.402 0.839 0 40 FCAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2nnnn2CC1 643367868 JEAYBVKCLMZFOR-GXFFZTMASA-N 362.821 0.966 0 40 FCAB O=C(c1ccc(-n2cnnn2)cn1)N1CCN(Cc2ccncc2)CC1 654405241 LTVBDERZFHCJRH-UHFFFAOYSA-N 350.386 0.410 0 40 FCAB CC(=O)c1cc(C(=O)N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)n[nH]1 2055747752 SZIPORXLCZBIPC-SJORKVTESA-N 373.413 0.943 0 40 FCAB CCOC(=O)[C@@H](CC)n1c(Br)nc2c1c(=O)[nH]c(=O)n2C 894404 TWVBQYJLPOVXET-ZCFIWIBFSA-N 359.180 0.700 0 40 FCAB NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 1578613 MOZMMGVADQTNEZ-WMZOPIPTSA-N 366.421 0.956 0 40 FCAB COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O 3015815 ARNULFTVPBOURK-UHFFFAOYSA-N 369.381 0.530 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCCC2=O)cc1 3379144 NKJQHGXAAOAOPI-UHFFFAOYSA-N 368.411 0.308 0 40 FCAB CC[C@H]1CCCCN1C(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O 5918147 BFOJSBMQCPUCQK-ZDUSSCGKSA-N 355.460 0.890 0 40 FCAB CC[C@@H](C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 5937214 BHLJAKKNZIPTPE-GFCCVEGCSA-N 359.382 0.586 0 40 FCAB CCCn1c(N)c(N(CCOC)C(=O)Cc2ccsc2)c(=O)[nH]c1=O 8036767 YWLBBVHSRSYBLI-UHFFFAOYSA-N 366.443 0.812 0 40 FCAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCNC2=O)C1=O 8157284 KDHLEQBVXBGEOO-KRWDZBQOSA-N 356.338 0.752 0 40 FCAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N[C@@H]1C=CS(=O)(=O)C1 13575394 FOHXKLRXQPJRLV-NJQKBMNKSA-N 368.392 0.743 0 40 FCAB COCCn1c(=O)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c1=O 18202496 IZVFWVQHWORQPP-OAHLLOKOSA-N 356.382 0.605 0 40 FCAB biogenic O=S1(=O)CC[C@@H](S(=O)(=O)N2CCN(Cc3ccccc3)CC2)C1 19912241 BQJYCEVHSKDPOY-OAHLLOKOSA-N 358.485 0.321 0 40 FCAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ncccc1O 21402336 XAQNJVXSQUFMRC-UHFFFAOYSA-N 359.386 0.587 0 40 FCAB O=C1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3)c2)CCN1 24834926 HKFNKWMZYTZHRB-UHFFFAOYSA-N 373.434 0.737 0 40 FCAB CS(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 57984929 UQNNMQMPSSTMGP-UHFFFAOYSA-N 365.411 0.893 0 40 FCAB NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 57987891 QICXWGKCOSCECN-CQSZACIVSA-N 362.407 0.833 0 40 FCAB O=C(N1CCn2c(nnc2C(F)(F)F)C1)C1(n2cnnn2)CCCCC1 72405939 DKHIRCSWADGTKC-UHFFFAOYSA-N 370.339 0.985 0 40 FCAB C[C@H](Sc1ccccc1Cl)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 75105283 SOVCTGQPEULPSA-WDEREUQCSA-N 367.858 0.990 0 40 FCAB Cn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)cn1 77262027 UKENDCQARCDIPV-PSBWJHGTSA-N 373.457 0.019 0 40 FCAB biogenic,in-vitro NC(=O)NC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102330025 DVGHNGLKXOBWHA-MAUMQABQSA-N 353.356 0.373 0 40 FCAB COc1cc(N2Cc3cncn3[C@@H](COCC(=O)N3CCCC3)C2)ncn1 247878476 IBRKBUUEEGMSPY-OAHLLOKOSA-N 372.429 0.882 0 40 FCAB CN(C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 257202449 ALVBEMVYXHNQED-INIZCTEOSA-N 356.444 0.852 0 40 FCAB Cn1cnc2cc(C(=O)N[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)ccc21 257203218 APCSTSOZXVXPND-ZTFGCOKTSA-N 358.442 0.917 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CCOc2cccc(F)c2)CCN1C(C)=O 257205527 AZMDYWNHJRIDRI-HNNXBMFYSA-N 351.378 0.400 0 40 FCAB Cc1cc(C)n2nc(C(=O)N3CC[C@@](O)(CN4CCOCC4)C3)cc2n1 257310112 UDSVKNUIXMJECP-GOSISDBHSA-N 359.430 0.255 0 40 FCAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)CCCn2cncn2)n1 257333544 YBZNLZNXSVJLGC-MRXNPFEDSA-N 357.418 0.848 0 40 FCAB CNc1nccnc1C[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 257340594 ZGVIPMAUCYEFSK-GFCCVEGCSA-N 350.448 0.895 0 40 FCAB C[C@@H]1[C@H](C(=O)O)CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 263193391 LMRZSIGSWSEQKJ-BXUZGUMPSA-N 358.460 0.902 0 40 FCAB O=C(CCc1cncnc1)N1CCOC[C@@]2(C[C@@H](Cn3cnnc3)CO2)C1 1565552782 XDWCABQLAGHYLH-FUHWJXTLSA-N 372.429 0.335 0 40 FCAB Cn1c(O)nc(N2CCN(C(=O)c3nccc4ccccc34)CC2)cc1=O 1775967393 PYEMYFCJXHXXID-UHFFFAOYSA-N 365.393 0.997 0 40 FCAB CCS(=O)(=O)CCN1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055781412 AWQKPSVVLKHNRC-UHFFFAOYSA-N 368.503 0.635 0 40 FCAB NC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCO3)c2ccccc21 4814052 GQHISQPDEYJWAS-IBGZPJMESA-N 368.345 0.708 0 40 FCAB Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccc(F)cc2F)n(C)c1=O 4943420 FSFZVZUMYRLNLH-UHFFFAOYSA-N 363.324 0.741 0 40 FCAB CCOC(=O)[C@]1(C(C)C)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](C(C)C)N2C1=O 5201920 ZNPXAUPCGVUBOA-OBQMCUGOSA-N 368.430 0.478 0 40 FCAB COC(=O)COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1Cl 8091802 MOWXYGLWJRBOMG-UHFFFAOYSA-N 362.835 0.828 0 40 FCAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC[C@H]2CCCO2)cc1 19796989 XIDDKBCCNOBOSW-KBMXLJTQSA-N 373.496 0.703 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccc(N2CCCC2)nc1 23101571 IFHRCCBLYKJFPU-UHFFFAOYSA-N 357.414 0.616 0 40 FCAB CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1nccs1 32100190 PSBGNLDDSNXWCS-VWYCJHECSA-N 374.488 0.983 0 40 FCAB O=C1CCC(=O)N1CC(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386382 UODFXJHXASYBKV-CQSZACIVSA-N 369.377 0.704 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 53049176 DIDGKJXFQHAZBX-GFCCVEGCSA-N 364.421 0.998 0 40 FCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NCc1ccccc1F 72401874 GYAYZVAKAXDVMD-UHFFFAOYSA-N 372.404 0.764 0 40 FCAB C[C@H](O)CCN(C)C(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O 84637191 DUNUQVWYLSXXLF-VIFPVBQESA-N 362.835 0.911 0 40 FCAB Cc1noc([C@@]23CCO[C@@H]2CCN(S(=O)(=O)c2cn(C)cn2)C3)n1 96038737 UAWSNOZEMTUEPA-BXUZGUMPSA-N 353.404 0.233 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1cscn1)C2 96050362 LJUWVXCPSSLTSA-MRXNPFEDSA-N 360.443 0.440 0 40 FCAB CN1CCN(C[C@H]2CO[C@@]3(CCCN(C(=O)c4cnccn4)C3)C2)CC1 96228454 POUIBKNFXSRTBP-LPHOPBHVSA-N 359.474 0.735 0 40 FCAB O=C(NC[C@]1(COc2cnccn2)C[C@H](O)[C@H](O)C1)Nc1cccnc1 107430498 KIAVVVWVZYQQQM-XOIINTDNSA-N 359.386 0.574 0 40 FCAB biogenic,in-vitro Cc1cc(C)nc([C@@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)n1 257223543 DXVVWIHLLNRZNL-HNNXBMFYSA-N 354.476 0.891 0 40 FCAB C[C@@H](C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1)n1cnnn1 524734804 PSYUNIYEJQAJCK-NSHDSACASA-N 350.404 0.803 0 40 FCAB COC[C@@]1(CC(=O)N(C)C)CN(Cc2c(C)nn(C)c2OC)CCO1 585277148 FYFWPJIKERZPHP-QGZVFWFLSA-N 354.451 0.433 0 40 FCAB O=C(c1cccc2cccnc12)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 585288191 QPCFNFFZRMQNGL-NUJGCVRESA-N 357.410 0.113 0 40 FCAB CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)CCc1ccccc1C 644173674 JUQFIGLWHVQVHN-HNNXBMFYSA-N 352.456 0.689 0 40 FCAB Cc1oc(C)c(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1C 681091049 VMSDIWVFNVARNK-UHFFFAOYSA-N 353.404 0.470 0 40 FCAB O=C(C1CCN(c2ncnc3[nH]cnc23)CC1)N1CCc2nc[nH]c2C1 1565524392 LSGHFXNZCSDFMR-UHFFFAOYSA-N 352.402 0.877 0 40 FCAB COCCN1C(=O)CC2(CCN(Cc3ccnn3C)CC2)n2nccc21 1772596612 YWKWZMKCUNYCCP-UHFFFAOYSA-N 358.446 0.991 0 40 FCAB Cn1c(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)cccc1=O 2055750735 USRVORVLJVCTNC-IRXDYDNUSA-N 354.410 0.506 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1OC 5008418 SKAFHOSBYBILAZ-NEPJUHHUSA-N 372.443 0.666 0 40 FCAB Cc1nnc(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)n1C 7234901 KGVWPFPXMODBEB-UHFFFAOYSA-N 366.447 0.748 0 40 FCAB Cc1ccc(OC[C@@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 12629510 LTIDIQYWDCYLRG-ZDUSSCGKSA-N 358.398 0.490 0 40 FCAB CCOCCCNC(=O)CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 16695770 NAMGEXLEPMQIDM-ZDUSSCGKSA-N 357.476 0.870 0 40 FCAB COCCCN1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O 19593292 YUJPQKGIJZPYQL-ZDUSSCGKSA-N 352.460 0.677 0 40 FCAB O=C(O)[C@@](O)(C(=O)c1ccccc1)[C@@](O)(C(=O)O)C(=O)c1ccccc1 21298253 OCQAXYHNMWVLRH-ROUUACIJSA-N 358.302 0.384 0 40 FCAB CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 28038940 YNGVUAUAGNVAIV-CABCVRRESA-N 360.524 0.638 0 40 FCAB CCCCS(=O)(=O)N1CCN(c2ncnc3c(C)nn(C)c23)CC1 28557372 BUCKIHRAPPLWNY-UHFFFAOYSA-N 352.464 0.924 0 40 FCAB CCN1CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1 35587954 KVNODJJVKMLBIY-UHFFFAOYSA-N 351.428 0.250 0 40 FCAB Cc1cnc(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)s1 36357632 MHNXLVLCXOTRAR-UHFFFAOYSA-N 357.395 0.916 0 40 FCAB C[C@@H]1CN(CCNC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)C[C@@H](C)O1 40153482 YQYOXMDKNQJNMT-VXGBXAGGSA-N 371.459 0.559 0 40 FCAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H]3CCOC3=O)CC2)o1 40154147 LXJRMYJXJBMWRE-LLVKDONJSA-N 372.399 0.078 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCN2CCOCC2)cc1 48090351 QNKYFYKIIKLXTR-CQSZACIVSA-N 355.460 0.110 0 40 FCAB CC(=O)NCCNC(=O)COC(=O)c1cc(C)cc(Br)c1O 62386842 ZHFPTPWQENUZJW-UHFFFAOYSA-N 373.203 0.872 0 40 FCAB COCc1cc(=O)n(CC(=O)NCc2ccco2)c(N2CCOCC2)n1 67219756 COAFZFYCKQHFNQ-UHFFFAOYSA-N 362.386 0.136 0 40 FCAB COCc1cc(=O)n(CC(=O)N(C)c2ccccc2)c(N2CCOCC2)n1 67219837 UQLLTZOFXLZINV-UHFFFAOYSA-N 372.425 0.889 0 40 FCAB CC(C)Cc1nc(CN2CCN([C@H](C)C(=O)N3CCOCC3)CC2)no1 68832198 VCYINXDGHBFNAZ-OAHLLOKOSA-N 365.478 0.633 0 40 FCAB CON(C)C(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72327090 LWRVIZIBCNTHRZ-APPDUMDISA-N 361.402 0.354 0 40 FCAB C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2cc[nH]n2)C3)C[C@@H](C)O1 72346965 PHWISCQCZPTXAU-GHMZBOCLSA-N 358.402 0.305 0 40 FCAB O=C(CN1C(=O)CCC1=O)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 75165225 ZPEOUJRWVZKVCR-MRVPVSSYSA-N 360.292 0.943 0 40 FCAB COC(=O)c1cnc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cn1 95457372 UNPUQSUTIIADFY-SECBINFHSA-N 364.383 0.402 0 40 FCAB CC(C)c1nnc2n1C[C@@H](NC(=O)CNC(=O)c1ncccc1O)CC2 95978447 TTZUHQOIDWEOSD-NSHDSACASA-N 358.402 0.363 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)c2ccccn2)C[C@]2(CC(=O)N(C)C2)C1 96036072 CZHFNRVYPRTQRE-IBGZPJMESA-N 358.442 0.871 0 40 FCAB COC(=O)[C@@H]1C[C@@H](OC)CN1S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 225634727 JAUIFQMHWIIKPC-SKDRFNHKSA-N 370.383 0.083 0 40 FCAB C[C@@H](O)[C@H]1C(=O)N2[C@H](C(=O)O)C=C(SC3CN(C4=NCCC4)C3)[C@H]12 230469161 FJTCBOGMELPARL-ZLBRTTDGSA-N 351.428 0.155 0 40 FCAB Cc1nc(C(=O)N2Cc3cncn3[C@@H](CNS(C)(=O)=O)C2)cs1 248038742 NZLMZFAQRZMXNQ-NSHDSACASA-N 355.445 0.394 0 40 FCAB Cc1ncc(C(=O)N2CCOC[C@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257303782 SIRSSAGYLRHSES-NSHDSACASA-N 351.388 0.125 0 40 FCAB Cc1cc(C)cc(CN2CC[C@@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)c1 306143448 YCOVHXXXSVMSJM-LJQANCHMSA-N 356.426 0.734 0 40 FCAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCCN1CCOCC1 408590938 IBAOEOWBPDUFKQ-AWEZNQCLSA-N 355.460 0.192 0 40 FCAB Cc1c(C(=O)N[C@H](C(N)=O)c2ccccc2)nnn1Cc1ccncc1 505949467 TYVQGVWUZWWHEZ-INIZCTEOSA-N 350.382 0.986 0 40 FCAB CCOCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 585269858 MMLHJADURUKTBG-OALUTQOASA-N 350.459 0.979 0 40 FCAB CCOc1ncccc1C(=O)N(CC(C)C)C[C@@H]1COC[C@@H](O)[C@H]1O 585288002 LXDMIXIYLUJHQN-BMFZPTHFSA-N 352.431 0.947 0 40 FCAB C[C@H]1CCCN(Cc2cc(=O)n3[nH]c(=N)[nH]c3n2)[C@H]1C(=O)OC(C)(C)C 598623644 ZSBYSUXQJQUICP-GXFFZTMASA-N 362.434 0.772 0 40 FCAB CCOc1ccc(N2CCN(CC(=O)Nc3c(C)n[nH]c3C)CC2)nn1 662250470 IWWPFJQRLGCQOT-UHFFFAOYSA-N 359.434 0.976 0 40 FCAB COc1cc(C(=O)N2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)on1 1565552073 OMTUZUNXFJZYOS-UHFFFAOYSA-N 359.386 0.841 0 40 FCAB C[C@@H](C(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1)n1cccn1 1888904036 ABRBCMLMOIVLOB-MELADBBJSA-N 366.429 0.716 0 40 FCAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 2055771938 KSCXJMFGPOWZPH-IBGZPJMESA-N 370.409 0.918 0 40 FCAB COc1cccc(/C=C/C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 3423971 VAHFKDIQHFYXAU-PSKZRQQASA-N 367.423 0.897 0 40 FCAB O=S1(=O)CCN2C(=N1)Oc1ccc(S(=O)(=O)N3CCCC3)cc12 7777895 HJZLJLILUHVHDR-UHFFFAOYSA-N 357.413 0.369 0 40 FCAB O=C(NCc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 8298154 JSPWELTVJJWWJL-UHOSZYNNSA-N 369.469 0.840 0 40 FCAB biogenic,in-vitro CCOCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccccc3)nnc12 10967675 NCJSJQGCVCUKOL-UHFFFAOYSA-N 354.370 0.775 0 40 FCAB O=C(NCCCN1CCOCC1)C(=O)NCCc1c[nH]c2ccccc12 23973384 NEPOHUOXJQLLTA-UHFFFAOYSA-N 358.442 0.665 0 40 FCAB CCN(CC)C(=O)CN(C)Cc1nnc2n(C)c(=O)c3ccccc3n12 26881342 ZHIYPOWTKHFOHC-UHFFFAOYSA-N 356.430 0.881 0 40 FCAB CCOC(=O)N1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 28197295 AYNDKTLTAMRDRC-UHFFFAOYSA-N 352.391 0.152 0 40 FCAB Cc1nc(COc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)no1 31611925 DOXUDFBGCCXSLX-LBPRGKRZSA-N 351.384 0.874 0 40 FCAB COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O 34882573 JUTVJDLVJGHWTJ-RUDMXATFSA-N 365.298 0.678 0 40 FCAB COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCN(CCO)CC1 49546459 CPYKVVSPZZEHKQ-UHFFFAOYSA-N 368.864 0.487 0 40 FCAB CSCC[C@@H]1NC(=S)N([C@@H]2CCCN(S(C)(=O)=O)C2)C1=O 58210218 ICAVKINJYWWVDH-ZJUUUORDSA-N 351.519 0.249 0 40 FCAB CN([C@@H]1CCNC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 71310426 WUVPCWSBOPLQFM-SECBINFHSA-N 352.865 0.726 0 40 FCAB Cc1ccc(CN2C[C@@H](C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 71852524 KMCJNVZEJUIWQY-CVEARBPZSA-N 364.467 0.894 0 40 FCAB COC(=O)C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccco2)CCO1 75104447 SAPZDLKRLKQTPU-OLZOCXBDSA-N 350.371 0.675 0 40 FCAB C[C@@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CCN1 88059445 MNWBLDYQKUDVDN-SECBINFHSA-N 352.865 0.726 0 40 FCAB CN(Cc1c(F)cccc1Cl)C(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1 95446821 KDSJKROEARWWOI-ZDUSSCGKSA-N 368.796 0.674 0 40 FCAB Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3N(S(=O)(=O)c3cn(C)cn3)C2)o1 96064973 IFXHXGDWKBDBMN-IJLUTSLNSA-N 353.404 0.447 0 40 FCAB CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96209309 LBTHFTPSAHRXFE-GDBMZVCRSA-N 354.428 0.118 0 40 FCAB Cn1nnc(-c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)n1 96232546 JAFYPLZCJIRBAX-UHFFFAOYSA-N 360.418 0.094 0 40 FCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NC[C@H]1C[C@H]2C=C[C@H]1C2 101720028 ALDGCRXKXYUJFW-HRCADAONSA-N 370.457 0.637 0 40 FCAB O=C([C@@H]1COC2(CN(Cc3ccncc3)C2)CN1CC1CC1)N1CCCO1 247859557 MBNVHVCEVFSGRM-SFHVURJKSA-N 372.469 0.911 0 40 FCAB CCS(=O)(=O)NC[C@H]1CCC2(CN(c3cc(N(C)C)ncn3)C2)OC1 248090849 FKNXRTWTHROMBF-CYBMUJFWSA-N 369.491 0.467 0 40 FCAB CNc1cc(N2CCC[C@](O)(CNC(=O)c3cnc(C)cn3)C2)ncn1 257264810 LWCAHIAZSSNWNS-KRWDZBQOSA-N 357.418 0.378 0 40 FCAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3ccsc3)[C@H]2O)CC1 257288857 PVZOGUSQNJFXHB-BZUAXINKSA-N 351.472 0.924 0 40 FCAB CCS(=O)(=O)N(C)CC(=O)N1C[C@H](C(=O)OC)Oc2ccccc21 260833546 YNPDVVFQJPVEKE-CYBMUJFWSA-N 356.400 0.235 0 40 FCAB Cn1c(CN2CCOCC2)nnc1SCC(=O)NC[C@H]1CCCO1 408600112 UTHQAJOOWGQGLF-GFCCVEGCSA-N 355.464 0.035 0 40 FCAB O=C(O)[C@@H](CNS(=O)(=O)c1cnc2n1CCC2)Cc1ccccn1 564843508 XURVOLBZHBCLOC-LLVKDONJSA-N 350.400 0.446 0 40 FCAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cccc(OCC(=O)O)c1 583650638 WFJVBWNPETVTRZ-AWEZNQCLSA-N 370.427 0.580 0 40 FCAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCC(O)CC2)C1 585290781 FNZXGJBUTXBWEX-AEFFLSMTSA-N 368.861 0.273 0 40 FCAB Cc1cc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)ccc1-n1cncn1 628376079 CWRQSKIXQIGVNJ-QZTJIDSGSA-N 354.414 0.933 0 40 FCAB Cc1cc(CN2C[C@H](n3ccnn3)[C@H](NC(=O)c3ccn(C)c3)C2)no1 1069910465 WBFCTDBKNGAEDC-CVEARBPZSA-N 355.402 0.769 0 40 FCAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCCCC1 2187348 JUYBNPNQJYBQGH-UHFFFAOYSA-N 355.460 0.948 0 40 FCAB Nn1c(SCn2nnc3ccccc3c2=O)nc2ccccc2c1=O 3256384 BZFOJWVMMVJPKI-UHFFFAOYSA-N 352.379 0.965 0 40 FCAB C[C@H]1CN(c2ccccc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1 4249190 KRSRDTMBYSKBOK-NSHDSACASA-N 368.397 0.170 0 40 FCAB COc1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 8011897 NREDUJBPCHDFTQ-UHFFFAOYSA-N 358.354 0.334 0 40 FCAB O=C(CS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCOCC1 12409352 CRMWOKAJMUOYOJ-UHFFFAOYSA-N 352.412 0.446 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)NCc2nnc3n2CCC3)cc(C)c1C 12996124 ICVNIRWTFQVBRD-UHFFFAOYSA-N 363.443 0.679 0 40 FCAB Nn1c(COc2ccccc2)nnc1SCC(=O)NC1=NCCS1 13956769 QUNGMTKCNJEYCP-UHFFFAOYSA-N 364.456 0.882 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 16039939 NGUJOKJTVRDRLD-FRRDWIJNSA-N 351.428 0.164 0 40 FCAB biogenic O=C(NCCC(=O)N1CCOCC1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 19293953 PZMSWDUBZZNVDH-ZDUSSCGKSA-N 363.389 0.544 0 40 FCAB CN(C[C@H]1COc2ccccc2O1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 23184193 XSBOSZYXDYHMSN-VFNNOXKTSA-N 371.393 0.396 0 40 FCAB C[C@@H](C(=O)OCc1nc(N)nc(N(C)C)n1)n1c(=O)oc2ccccc21 24115904 OBBWVPDSBIVZCK-VIFPVBQESA-N 358.358 0.732 0 40 FCAB Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3nncs3)CC2)cn1C 50296186 DRNBNNHDGJXDLM-UHFFFAOYSA-N 370.460 0.619 0 40 FCAB CS(=O)(=O)CCn1ccc(NC(=O)NCc2ccc3c(c2)OCO3)n1 72294913 DPMHVRNBRYXDJD-UHFFFAOYSA-N 366.399 0.978 0 40 FCAB CN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@H]1CCCN(Cc2ccccc2)C1 74446137 VPFGQDBYEPOSEL-KRWDZBQOSA-N 370.453 0.670 0 40 FCAB Cc1nc(-c2ccc(N3CCN(C(=O)[C@H]4CCC(=O)N4)CC3)nc2)no1 85436345 VXKVNNIUMHXKQR-CYBMUJFWSA-N 356.386 0.367 0 40 FCAB C[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 95430121 OOQMQLBFWIVKHH-AVGNSLFASA-N 356.444 0.595 0 40 FCAB Cc1cc(N2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)n2ncnc2n1 95963669 KMHIXEIWDLRPAU-HNNXBMFYSA-N 357.462 0.954 0 40 FCAB CNC(=O)NC(=O)CN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95999732 CLRYVQWRQSFNBC-INIZCTEOSA-N 373.457 0.255 0 40 FCAB CC(=O)N1C[C@@H](C(=O)O)CN2CCN(C(=O)c3ccccc3C)C[C@H]2C1 96064151 PQVLVTROGFZRPJ-HOTGVXAUSA-N 359.426 0.684 0 40 FCAB CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@H]1C(=O)N1CCN(C)CC1 96113105 CUOJFRNMGDYXDA-FUHWJXTLSA-N 374.485 0.721 0 40 FCAB biogenic,in-vitro COc1cc(N2C[C@@H]3COC[C@]3(CNC(=O)c3ccnnc3)C2)ncn1 96208223 GKKPDQAMGNIIFA-DYVFJYSZSA-N 356.386 0.158 0 40 FCAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1nc2cccnc2[nH]1 190224240 IVOLHQUMGBQVQB-LBPRGKRZSA-N 351.432 0.778 0 40 FCAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)Cn2ncccc2=O)C1 225505632 KAAGPBCRYFPDHU-CYBMUJFWSA-N 358.402 0.169 0 40 FCAB CCS(=O)(=O)NC[C@@H]1CN(Cc2c(C)noc2C)Cc2ccnn21 306134018 NBUDHMGSSKFPGJ-CQSZACIVSA-N 353.448 0.984 0 40 FCAB COCCN1CC[C@]2(CN(C(=O)c3ccncn3)CC(F)(F)C2)C1=O 585093255 LUKHSJXUKHXLTM-HNNXBMFYSA-N 354.357 0.823 0 40 FCAB CCCS(=O)(=O)N1Cc2ncn(C)c2C[C@@H]1CNc1ncccn1 585095009 ZOWWPPDMTVMFBU-GFCCVEGCSA-N 350.448 0.789 0 40 FCAB CO[C@@]1(CCC(=O)NCCn2nc(C)nc2C)CCCN(C(C)=O)C1 585280501 JNQGNPKMAVEMST-QGZVFWFLSA-N 351.451 0.819 0 40 FCAB Cc1nnc2ccc(N3CC(N(C)c4ccc5nnc(C)n5n4)C3)nn12 585606600 BGDROXBAPVFHEH-UHFFFAOYSA-N 350.390 0.504 0 40 FCAB COCCn1nnc2c1CCN(C(=O)c1ccc(Cn3cncn3)cc1)C2 647166677 JDDOOUYGHJNBEO-UHFFFAOYSA-N 367.413 0.763 0 40 FCAB CCn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)N1CCOCC1 657077573 XZLKRIRMDYDDDP-DZGCQCFKSA-N 358.464 0.537 0 40 FCAB CC(C)NC(=O)c1c2c(nn1C)CO[C@H](CNC(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565543923 ACWWNQXDUTXFLA-MUYACECFSA-N 362.430 0.008 0 40 FCAB Cn1cccc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)CCO3)C2)c1=O 1565545490 ITGJCFUJZZSHPC-UHFFFAOYSA-N 363.414 0.847 0 40 FCAB O=C(CN1CCN(c2ccncn2)CC1)N1CCN(c2ccccc2)CC1 1889148834 GYCNDPLCSZNUQC-UHFFFAOYSA-N 366.469 0.947 0 40 FCAB CCN(C)C[C@H]1COC2(CN(C(=O)CC3CCOCC3)C2)CS1(=O)=O 2332242997 BGBQHPUGBSFUTC-HNNXBMFYSA-N 374.503 0.149 0 40 FCAB O=C([C@@H]1CC2CCN1CC2)N1CCN(C(=O)[C@H]2CC3CCN2CC3)CC1 1610886 LMFLIIISBCCELP-HDICACEKSA-N 360.502 0.626 0 40 FCAB Cc1ccc(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 4583584 IKCHUZPDALXDTE-UHFFFAOYSA-N 361.423 0.940 0 40 FCAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCN1c1ccc(F)cc1 5251948 CSNREUQOWKZGGE-UHFFFAOYSA-N 359.317 0.272 0 40 FCAB Cc1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)n1C1CC1 9993067 ZAFPBRZEXAXHDC-UHFFFAOYSA-N 362.415 0.664 0 40 FCAB CCOC(=O)C1=C(CN(C)CC(=O)N(C)C)NC(=O)N[C@H]1c1ccccc1 12750104 KWGDVJZFNLFTRM-KRWDZBQOSA-N 374.441 0.878 0 40 FCAB CCOC(=O)C1=C(COC(=O)c2cc(=O)[nH]c3ccccc23)NC(=O)NC1 12913886 GTAKVOCZVJFAGW-UHFFFAOYSA-N 371.349 0.815 0 40 FCAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N)nc(N)c32)cc1 13570318 LLMYNFPKHJQGIX-SNVBAGLBSA-N 370.369 0.882 0 40 FCAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 16576568 IVLZIASUIHZHQM-CYBMUJFWSA-N 372.443 0.237 0 40 FCAB COc1cccc(C(=O)NCCN2CCn3cc(OC)c(=O)cc3C2=O)c1 16850493 HHKIMZHFDJVRFF-UHFFFAOYSA-N 371.393 0.751 0 40 FCAB O=C1NCCCC[C@@H]1Sc1ccc(S(=O)(=O)N2CCOCC2)cn1 22202407 HSGCAYNKVSBGRF-ZDUSSCGKSA-N 371.484 0.863 0 40 FCAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 22609804 JTTIDSKNFCKHIV-OLZOCXBDSA-N 358.485 0.672 0 40 FCAB O=C(O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 30819548 CEFUVDFLGGCBEC-UHFFFAOYSA-N 366.395 0.825 0 40 FCAB CCc1c(C(=O)NCCN2CCOCC2)cnn1-c1ccc(OC)nn1 40069981 YUGCWTPGGGRDLY-UHFFFAOYSA-N 360.418 0.295 0 40 FCAB CCOc1ccc2c(c1)CN(C(=O)CN1CCS(=O)(=O)CC1)CC2 57265311 DPZAJECMWXNHBW-UHFFFAOYSA-N 352.456 0.700 0 40 FCAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NC(C)(C)C)c1=O 57520695 OFYUNVMMEHCSMT-UHFFFAOYSA-N 365.459 0.672 0 40 FCAB COc1ncc(C2(O)CCN(C(=O)c3snnc3C)CC2)c(OC)n1 72337536 BUIPMAHVLFJUIQ-UHFFFAOYSA-N 365.415 0.778 0 40 FCAB O=C(Cc1cccc(F)c1)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1 72346909 CZXJQBSSDANBSM-UHFFFAOYSA-N 372.400 0.873 0 40 FCAB Cn1cc(CN2CCO[C@H]3CN(C(=O)COc4ccccc4)C[C@H]32)cn1 96248756 ICFMGKUZOKFLLF-MSOLQXFVSA-N 356.426 0.911 0 40 FCAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](NCCN3CCOCC3)C2=O)cc1 100619740 LEZLTMJBJTUTPB-MRXNPFEDSA-N 360.414 0.199 0 40 FCAB O=C1C[C@H](C(=O)N2CCc3c(nc[nH]c3=O)C2)CN1Cc1ccccc1 105733747 TXRCPCLIAUVRBS-AWEZNQCLSA-N 352.394 0.703 0 40 FCAB CC(=O)N1[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257332739 XYLYASVVWOMJQV-QCUYGVNKSA-N 374.441 0.729 0 40 FCAB CCc1cc(C(=O)N[C@@H]2CC[C@@H](N3CCN(C(C)=O)CC3)[C@@H]2O)on1 257344132 ZVXCHJYBEKMUJW-IIAWOOMASA-N 350.419 0.023 0 40 FCAB COCCn1nnc2c1CCN(C(=O)N[C@@H]1CC(=O)N3CCCC[C@H]13)C2 514989126 BZHJGESMZTXTBO-TZMCWYRMSA-N 362.434 0.146 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CS(=O)(=O)NCc2cnn(C)c2)C1 521396672 LMOCRFBUYHVZAW-IPYPFGDCSA-N 354.476 0.734 0 40 FCAB NCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 575425184 PXWBEOMRWIZATM-LLVKDONJSA-N 352.865 0.477 0 40 FCAB O=C(Nc1cnccn1)[C@@H]1CO[C@@H]2CN(C(=O)Cc3ccccn3)C[C@H]21 585108567 VFQUJBHPFLUTBC-RRFJBIMHSA-N 353.382 0.526 0 40 FCAB CNS(=O)(=O)/C=C/CNC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 585146117 HAGTYRKNEZVONM-KTROKBFUSA-N 355.391 0.358 0 40 FCAB CC(C)(CC(=O)O)CC(=O)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1 585261649 MVENEHBDQVMMHT-GXTWGEPZSA-N 360.414 0.982 0 40 FCAB Cc1cc(CN2CCN(C(=O)CN3CCCC[C@@H](O)C3=O)CC2)on1 644285831 MNYIGRRZHFIHKF-OAHLLOKOSA-N 350.419 0.001 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)CCC2CCOCC2)CCO1 681943689 NONUWSODBSVXNP-HNNXBMFYSA-N 356.419 0.354 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)Cc3coc4ccccc34)C2)C1 685942638 QCYUAJRWXLKNQC-LBPRGKRZSA-N 355.394 0.781 0 40 FCAB COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cnsn3)CC2)cc1 1565523640 STTGSDBCZHTRPJ-UHFFFAOYSA-N 368.440 0.836 0 40 FCAB Cn1c(C(=O)N2CCC3(CC2)CC(C(=O)NC2CC2)=NO3)cccc1=O 1565548809 KDNYLEUTXQKMTR-UHFFFAOYSA-N 358.398 0.415 0 40 FCAB COCCN1C(=O)CN(C2CCN(c3ncnc4ncn(C)c34)CC2)C1=O 1888866624 LOKNYIOUGOXAOC-UHFFFAOYSA-N 373.417 0.243 0 40 FCAB CCS(=O)(=O)N1CCC[C@@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771982 ONICWKMDLIRCIN-GFCCVEGCSA-N 368.381 0.702 0 40 FCAB COCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccn3)ccc2c1=O 3906580 SJDUAAYLQOCWLH-UHFFFAOYSA-N 354.366 0.661 0 40 FCAB CCN(Cc1cccc(F)c1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 9319165 GIXIPTRQPQBCBJ-UHFFFAOYSA-N 373.388 0.622 0 40 FCAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCc1ccc(F)cc1 9454716 XNGUSNZSHFIPKY-UHFFFAOYSA-N 356.151 0.755 0 40 FCAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1=O 11612503 OMXQNFATNVEMIV-UHFFFAOYSA-N 356.404 0.386 0 40 FCAB c1ccc2c(c1)nc1n2CN(n2cnnc2)CN1CCN1CCOCC1 13637785 VDOZRIUZKNWCDG-UHFFFAOYSA-N 354.418 0.333 0 40 FCAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(S(C)(=O)=O)CC2)cc1 14094177 ZUBIAOXYDHXXEE-LBPRGKRZSA-N 353.444 0.793 0 40 FCAB CN(C)CCNC(=O)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCCNC1 19582868 XUNQVHGZOVZDFI-KDOFPFPSSA-N 350.463 0.769 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)C(C)C)CC2)cc1 22732907 CJQXJRJMPHSRDC-UHFFFAOYSA-N 369.487 0.774 0 40 FCAB C[C@@H](CNC(=O)CN1CCN(CC(=O)NC2CC2)CC1)c1ccccc1 22800383 HDYVCUXWVZAKGC-INIZCTEOSA-N 358.486 0.803 0 40 FCAB COCCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 22836606 RJTASRUZCQGLFW-UHFFFAOYSA-N 372.443 0.621 0 40 FCAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 22968692 GVNZQIVTOVWLMP-HOCLYGCPSA-N 370.446 0.750 0 40 FCAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cccnc1-n1cccn1 24642406 LPLXLZVZGDVZRM-CQSZACIVSA-N 363.443 0.698 0 40 FCAB O=[N+]1C(CN2CCOCC2)=C(CN2CCOCC2)N(O)[C@@H]2CCCC[C@@H]21 32223559 GHBJUKUERZIRHU-CVEARBPZSA-N 367.470 0.657 0 40 FCAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)C1 32916422 OKAPYBUTZSRMQR-JHJVBQTASA-N 353.510 0.223 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 47636010 KYPNXFPTFKHKNE-WBVHZDCISA-N 350.463 0.433 0 40 FCAB O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCN(c2ccccn2)CC1 49934872 RIVXWOBQUPBFHO-UHFFFAOYSA-N 351.366 0.574 0 40 FCAB O=C(CCNC(=O)c1ccc2c(c1)OCC(=O)N2)NCc1cccnc1 57991763 VOFYHNLVHWKJDS-UHFFFAOYSA-N 354.366 0.849 0 40 FCAB CCc1noc([C@H](C)N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 58216387 VQZPJKQOJCXVOJ-RYUDHWBXSA-N 356.448 0.272 0 40 FCAB Cn1ccnc1CN1C(=O)CO[C@H]2CN(Cc3ccc(C(=O)O)cc3)C[C@H]21 67897324 CDGCYKOOQJILDS-CVEARBPZSA-N 370.409 0.730 0 40 FCAB biogenic,in-vitro CC(=O)N[C@H]1Cc2ccc(S(=O)(=O)N(C)Cc3nonc3C)cc2C1 72345766 NZIVFDKTUHUWRM-AWEZNQCLSA-N 364.427 0.802 0 40 FCAB NC(=O)c1cccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 96006365 IOZPODUBWNCUIA-UHFFFAOYSA-N 354.366 0.872 0 40 FCAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)C1CCOCC1)CC2 96059505 RJRKQWGABYYTRC-UHFFFAOYSA-N 371.441 0.920 0 40 FCAB CS(=O)(=O)CC(=O)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CCO2)C1 96215355 BDGWXVJTCLJJQU-SWLSCSKDSA-N 354.432 0.083 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)c3ccncc3F)CC[C@@H]2C1 96249830 UETVGFWCGKRHEO-BXUZGUMPSA-N 357.407 0.343 0 40 FCAB CC(=O)OCC1=C(COC(C)=O)[C@H]2O[C@H]1[C@@H](OC(C)=O)[C@@H]2OC(C)=O 104157263 TWKWAKDBYKUGBZ-KLHDSHLOSA-N 356.327 0.054 0 40 FCAB COc1ccc(S(=O)(=O)NCC(=O)NCc2ccncc2)cc1OC 240649678 AFRDHHBGNCPVCR-UHFFFAOYSA-N 365.411 0.694 0 40 FCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](CC(=O)NCC2CC2)C1 253490816 KCQHCJXWPSNROP-HNNXBMFYSA-N 354.476 0.591 0 40 FCAB Cc1cccc(C(=O)N2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)c1 257216827 CWGGPJJOORFKFI-RDJZCZTQSA-N 352.456 0.996 0 40 FCAB Cc1cn2nc(N[C@@H]3CCN(C(=O)Cn4ccccc4=O)C3)ccc2n1 572788158 NHTAARCKVJKVSO-CQSZACIVSA-N 352.398 0.912 0 40 FCAB C[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2cnc3ccccc3n2)CC1 585094181 NNOULBFRJMEHOU-INIZCTEOSA-N 369.469 0.995 0 40 FCAB O=C(Nc1cnccn1)[C@@H]1CO[C@H]2CN(C(=O)Cc3ccccn3)C[C@@H]12 585108569 VFQUJBHPFLUTBC-ZNMIVQPWSA-N 353.382 0.526 0 40 FCAB COc1ccc(CNC(=O)NC[C@@]2(OCCO)CCOC2)cc1OC 663412207 STKJNHQAKKHBKK-KRWDZBQOSA-N 354.403 0.671 0 40 FCAB Cc1nc(C(=O)N2CC[C@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)cs1 1565546606 HYPVGQUOAPBQTL-WBMJQRKESA-N 353.444 0.930 0 40 FCAB Cn1cncc1C(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888899215 MELLPDAYYRLJEP-TXEJJXNPSA-N 352.402 0.305 0 40 FCAB CCOC(=O)C1=CN(CC(=O)N2CCC(C)CC2)S(=O)(=O)N=C1C 1888909631 RBCICSCATLMKHR-UHFFFAOYSA-N 357.432 0.713 0 40 FCAB CCOC(=O)CNC(=O)CSc1nnc(-c2cccc(OC)c2)n1N 2265936 QTMUQPJNDCLUOG-UHFFFAOYSA-N 365.415 0.439 0 40 FCAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Cc1n[nH]c(=O)c3ccccc13)C2 12144712 UPLGUPOMSSYZKX-UHFFFAOYSA-N 351.366 0.442 0 40 FCAB CCN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 12653685 SQUXQKNJNHXQND-UHFFFAOYSA-N 355.460 0.723 0 40 FCAB Cc1cccc2c(=O)n(CC(=O)N3CCN(c4ncccn4)CC3)cnc12 18183807 VVYADLKCKAXASZ-UHFFFAOYSA-N 364.409 0.844 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)C2=COCCO2)CC1 21840795 BMERAAOYUYVPND-UHFFFAOYSA-N 371.415 0.403 0 40 FCAB CN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccnc3)o2)CC1 35597474 MZADFHDCDWVAJX-UHFFFAOYSA-N 350.400 0.863 0 40 FCAB CC(=O)[C@@H](C)n1c(CN2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 36390065 GTSHADYHXAWHIO-VXGBXAGGSA-N 361.446 0.816 0 40 FCAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 40266457 VJKWPMUKGBTMPX-ZDUSSCGKSA-N 360.414 0.581 0 40 FCAB CC(C)Cn1nc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 52603335 WXMRTZGLRKVWLU-GFCCVEGCSA-N 363.439 0.969 0 40 FCAB Cn1ccc(C(=O)N2CCCC[C@@H]2c2cc(C(=O)N3CCOCC3)[nH]n2)n1 72380566 AYSROCAHZQXNLJ-MRXNPFEDSA-N 372.429 0.983 0 40 FCAB O=C(O)[C@@H]1COCCN1S(=O)(=O)c1sccc1Br 88376574 JSDWOEWVNONUMA-ZETCQYMHSA-N 356.219 0.985 0 40 FCAB COC(=O)C1=NOC2(CCN(S(=O)(=O)CC[C@@H]3CCCO3)CC2)C1 95945731 YTXQQRDXPYKCTC-LBPRGKRZSA-N 360.432 0.669 0 40 FCAB CC(C)N1C(=O)C[C@@H](NC(=O)COc2ccc3ccc(=O)oc3c2)C1=O 95963538 QYOFAAAGEGQYDV-CYBMUJFWSA-N 358.350 0.824 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(=O)c1cccnc1)CCN(C(=O)N(C)C)C2 96036229 HOYDMIFNNLMHSH-LJQANCHMSA-N 373.457 0.760 0 40 FCAB C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCN(CC(=O)NC2CC2)CC1 96908295 FGFIBPJOGFFAED-INIZCTEOSA-N 370.497 0.856 0 40 FCAB CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O)C(=O)O 101273652 LNALKKHWEUBQAX-NWDGAFQWSA-N 354.359 0.780 0 40 FCAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H](O)c1ccc(F)cc1 103154489 CVMGVTSHDSFHAL-HVQHVNDKSA-N 358.369 0.782 0 40 FCAB CNC(=O)COc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1F 226686717 DDLCCVSSYQNMRN-UHFFFAOYSA-N 360.407 0.532 0 40 FCAB Cn1cnnc1S(=O)(=O)C1CN(C(=O)c2cc(=O)c3ccccc3o2)C1 252479864 BOEMVJTUYLHKGG-UHFFFAOYSA-N 374.378 0.220 0 40 FCAB COC(=O)[C@@H]1CN(C(=O)C2(N)CCCC2)CCN(C2CCOCC2)C1 257335118 YISSFPDWPYEQKD-AWEZNQCLSA-N 353.463 0.370 0 40 FCAB Cc1noc(C)c1C(=O)N1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 257344295 ZWMSVHJLOSGAMR-WFASDCNBSA-N 357.432 0.292 0 40 FCAB Cc1ccc(Cl)cc1S(=O)(=O)NCCN[C@H]1CCS(=O)(=O)C1 575425402 DTBZUANUJNLJAQ-LBPRGKRZSA-N 366.892 0.703 0 40 FCAB CC(C)CN(C(=O)c1n[nH]c2c1C[C@H](C)CC2)[C@@H]1COC[C@@H](O)[C@H]1O 643585663 WNIMCNYPTGRBQE-CYHLAULCSA-N 351.447 0.753 0 40 FCAB CCN1C(=O)[C@H]2CN(C(=O)Cc3cc(C)no3)CCN2C12CCOCC2 1772595255 GTIGYZBLRPGMHX-OAHLLOKOSA-N 362.430 0.407 0 40 FCAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc1 810502 NNSMGLKWMQQNGN-UHFFFAOYSA-N 355.354 0.275 0 40 FCAB OC[C@@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 3874444 LGZYEDZSPHLISU-KDQZPGIASA-N 371.397 0.092 0 40 FCAB in-vitro NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 6885282 AAMNLFPEWZSUDT-OAHLLOKOSA-N 352.346 0.922 0 40 FCAB S=C(NC[C@H]1CCCO1)N1CCN(C(=S)NC[C@H]2CCCO2)CC1 7570323 XPDXBUNSWVQNDN-ZIAGYGMSSA-N 372.560 0.711 0 40 FCAB Cn1ccnc1[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1 12547948 ALXOMQMGEPKBLQ-HNNXBMFYSA-N 357.345 0.315 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(F)cc1 20567951 HNNHOUMPIIBPMG-UHFFFAOYSA-N 359.423 0.040 0 40 FCAB C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 23440566 QUCSCBSSSKJHMJ-VIFPVBQESA-N 373.381 0.744 0 40 FCAB COc1ccc(C(=O)O[C@@H]2C[C@@H](C)OC2=O)cc1S(=O)(=O)N(C)C 32736518 PZMACRKXHZOVPK-BXKDBHETSA-N 357.384 0.806 0 40 FCAB CN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)[C@H]1CCS(=O)(=O)C1 40267912 PWTKEHCVTQONEF-AWEZNQCLSA-N 361.423 0.556 0 40 FCAB CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1CCCN(C(=O)C(C)C)C1 48334021 LAEXFPSOEQWKFP-AWEZNQCLSA-N 361.508 0.669 0 40 FCAB NS(=O)(=O)CCNC(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1 58223014 DXKHKGLTXXGSQY-UHFFFAOYSA-N 353.379 0.302 0 40 FCAB CCCN1CCC(NC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)CC1 95444229 GDKVKALCDZIALO-UHFFFAOYSA-N 364.450 0.480 0 40 FCAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCn2c(n[nH]c2=O)C1 95942063 FIHGKVNYDUIHJY-UHFFFAOYSA-N 350.382 0.902 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CCN(S(=O)(=O)CC)C2 96036199 TVZJWNIGTWOYQM-MRXNPFEDSA-N 359.492 0.375 0 40 FCAB C[C@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CC(c2ccccc2)=NO1 96192534 JRUJVCRWCVJHJG-MRXNPFEDSA-N 351.428 0.674 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1cccc(F)c1 408615903 CUKBHGXQFPVCNI-UHFFFAOYSA-N 354.407 0.995 0 40 FCAB COC(=O)c1cc(S(=O)(=O)Nc2cc(C)nn2-c2ncccn2)c[nH]1 531517223 YLBCQEGQDBLBCI-UHFFFAOYSA-N 362.371 0.886 0 40 FCAB O=C(O)[C@@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)[C@@H](C(=O)O)S1(=O)=O 575410712 CGTSLBOEZHNBPN-BJDJZHNGSA-N 355.324 0.579 0 40 FCAB C[C@@]1(N(CCN)S(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 575424347 KAUKNZBKOAJNEQ-CYBMUJFWSA-N 366.892 0.867 0 40 FCAB Cc1ccccc1C(=O)N1C[C@@H]2[C@@H](C(=O)N(C)C)CCS(=O)(=O)[C@@H]2C1 585108135 WYOUQPLNZFOSGI-ARFHVFGLSA-N 364.467 0.959 0 40 FCAB Cn1ccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)n1 589320580 OFWMGJUAWNPPLY-UHFFFAOYSA-N 374.426 0.443 0 40 FCAB CN(C)CCn1cc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cn1 632794338 KKKQEJVWENFYRO-UHFFFAOYSA-N 370.457 0.540 0 40 FCAB O=C1CCCN1[C@H]1CCN(S(=O)(=O)C[C@@H]2COc3ccccc3O2)C1 641454198 VTLNFQWPTAHRRC-KBPBESRZSA-N 366.439 0.853 0 40 FCAB O=C(O)CN1CCCC[C@H](N2CCN(c3ncccc3F)CC2)C1=O 643875941 GDTYRLDIVRXHCG-AWEZNQCLSA-N 350.394 0.808 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1 681941660 GFGYWUQOMFXBCP-LBPRGKRZSA-N 360.370 0.337 0 40 FCAB Cc1noc(CC(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)n1 1565553980 NRJPNELBOZCODU-SFHVURJKSA-N 370.413 0.265 0 40 FCAB C[C@@]12CN(C(=O)c3cc(O)nc(C4CC4)n3)C[C@]1(C)CS(=O)(=O)C2 1637485600 AJYRAQMAZXBVHT-IYBDPMFKSA-N 351.428 0.956 0 40 FCAB CSCc1n[nH]c(CNS(=O)(=O)c2ccc3nc(O)[nH]c3c2)n1 1671589047 SSRWJXBMOJORJC-UHFFFAOYSA-N 354.417 0.728 0 40 FCAB COCCN1C(=O)[C@H]2CN(Cc3cc(C)on3)CCN2C12CCOCC2 1772595313 LTIJTFSOBQPAIA-MRXNPFEDSA-N 364.446 0.465 0 40 FCAB CCOCCn1c(=O)c2c(nc3n(CCOC)c(C)c(C)n23)n(C)c1=O 4314363 XSFZZWHKCDNXJL-UHFFFAOYSA-N 363.418 0.449 0 40 FCAB NC(=O)c1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1 4499767 HZNAHIUBAQZAEP-UHFFFAOYSA-N 355.379 0.919 0 40 FCAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCOCC2)C1=O 5791508 UCAFVFGBBZDQPQ-INIZCTEOSA-N 353.325 0.591 0 40 FCAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 5960096 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CCc1noc([C@H](C)N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 58216381 VQZPJKQOJCXVOJ-NWDGAFQWSA-N 356.448 0.272 0 40 FCAB CN1CCN(C(=O)[C@H]2CCCN2c2ncc(Br)cn2)CC1 67369174 WUWXJLCZCLFXTM-GFCCVEGCSA-N 354.252 0.982 0 40 FCAB O=C(Nc1ccon1)c1c[nH]c(=O)n(Cc2ccc3c(c2)OCO3)c1=O 75172525 JOKIMGRSRSKZSU-UHFFFAOYSA-N 356.294 0.554 0 40 FCAB CN(C[C@@H]1CCCN1C(=O)Cn1ccc(=O)[nH]c1=O)C(=O)OC(C)(C)C 78935017 KUHGHILUPUFXQH-LBPRGKRZSA-N 366.418 0.395 0 40 FCAB C[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)CC1 85436820 KELFNFFVCIPJDP-GFCCVEGCSA-N 358.398 0.944 0 40 FCAB CS(=O)(=O)c1cccc(Cl)c1C(=O)NCCN1C(=O)CCC1=O 95993688 AKCOAGAGTIOJLA-UHFFFAOYSA-N 358.803 0.622 0 40 FCAB CO[C@@H]1[C@@H](C)[C@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C12CCC2 95995781 WUNMXGNCKUNPQV-TUKIKUTGSA-N 365.455 0.804 0 40 FCAB O=C1C[C@@H](N2CCN(c3cnccn3)CC2)C(=O)N1CCc1ccccc1 103022544 METSEUBCUDVXDK-QGZVFWFLSA-N 365.437 0.969 0 40 FCAB Cc1nnc(N2CC3(C2)CN(C)[C@@H](C(=O)NCc2ccco2)CO3)s1 248086774 SJRXWAFHRHVXEA-CYBMUJFWSA-N 363.443 0.645 0 40 FCAB CCS(=O)(=O)CCN1Cc2cncn2[C@@H](C(=O)N2CC(F)(F)C2)C1 306133812 MWVXWXVAXOITCX-GFCCVEGCSA-N 362.402 0.152 0 40 FCAB COCC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585284800 JCWJHOCWAQJMIW-INIZCTEOSA-N 356.806 0.838 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(S(=O)(=O)Cc2ccc(C)c(F)c2)C1 643696499 VBWIOEBFCCKMBX-MRXNPFEDSA-N 358.435 0.927 0 40 FCAB COCCN1CCN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C[C@H]1C 654638457 CVUVPPCBNKLNHU-CHWSQXEVSA-N 352.439 0.518 0 40 FCAB O=C(Nc1cccnc1)[C@H]1CN(S(=O)(=O)C2CC2)C[C@H]2OCC[C@H]21 2055747103 IDVSEEIBWZVOEA-SOUVJXGZSA-N 351.428 0.849 0 40 FCAB CCCNC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)CCc1cncnc1)OC2 2055756357 HAMPUNODALYXTI-ZDUSSCGKSA-N 372.429 0.530 0 40 FCAB S=C(NC[C@@H]1CCCO1)N1CCN(C(=S)NC[C@@H]2CCCO2)CC1 7570322 XPDXBUNSWVQNDN-KBPBESRZSA-N 372.560 0.711 0 40 FCAB O=C(CCCN1C(=O)CNC1=O)OCCCn1c(=O)[nH]c2ccccc21 8327415 KDYZCNMJLGJAOM-UHFFFAOYSA-N 360.370 0.595 0 40 FCAB CCc1ccc(CN(C)CC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 14237012 MKPUWWQCGFXRCA-UHFFFAOYSA-N 353.488 0.785 0 40 FCAB CN1C(=O)N(C)C2(CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 16849930 JTDQULHHYUTPRD-UHFFFAOYSA-N 355.391 0.873 0 40 FCAB Cc1ccc2nc(C(=O)NCc3cc(=O)[nH]c(N4CCOCC4)n3)[nH]c2c1 19219667 YNCIJNMLHNCCDW-UHFFFAOYSA-N 368.397 0.721 0 40 FCAB CS(=O)(=O)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 22530492 DAJDLNJEUFUAEE-UHFFFAOYSA-N 364.353 0.615 0 40 FCAB C[C@H]1C[C@H]1C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N(C)C 22770225 WTTOAEJZUOBECC-WCQYABFASA-N 354.428 0.752 0 40 FCAB NS(=O)(=O)c1ccc(CCNCc2cc(=O)n3ccsc3n2)cc1 23652469 TUUPUXKDFFSYRY-UHFFFAOYSA-N 364.452 0.736 0 40 FCAB C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1nnc2ccccn12 32802348 FQDLAYTXONCNRT-NSHDSACASA-N 374.426 0.937 0 40 FCAB COc1ccc(-c2nn(CCCC(=O)NCCO)c(=O)cc2OC)cc1 96100894 NIHSTYUHNRKNOF-UHFFFAOYSA-N 361.398 0.816 0 40 FCAB COCC(=O)NCc1cc(=O)n2c(n1)CN(Cc1ccncc1)CCC2 96197627 LLCBGAJSRBREKW-UHFFFAOYSA-N 357.414 0.307 0 40 FCAB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)[C@@H]1C(=O)Nc1cccnc1Cl 101775454 KFLAKVQCUJVJAK-ONGXEEELSA-N 370.818 0.695 0 40 FCAB CC(=O)Nc1ccc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)NCCO)[C@@H]4C2=O)cc1 108235146 IAWVTGHGKLSNCG-YIOZNXECSA-N 371.393 0.040 0 40 FCAB COc1cc(N2Cc3ccnn3[C@@H](C(=O)NCC3CCOCC3)C2)ncn1 247872547 FCKZDIBMQNCUFA-OAHLLOKOSA-N 372.429 0.786 0 40 FCAB CN1C[C@@H](C(=O)N2[C@H]3CC[C@H]2Cn2c(nc4ccccc4c2=O)C3)CC1=O 248125691 LPBVNVJFJJAPOK-IHRRRGAJSA-N 366.421 0.791 0 40 FCAB COc1ccc(CC(=O)N2CC[C@@](O)(CN3CCOCC3)C2)cc1F 257227193 FOBGUQFPVSZZQM-GOSISDBHSA-N 352.406 0.672 0 40 FCAB CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@@H]1CC[S@](=O)C1)C2 572313285 XXYKECGUSQCCLI-SPSFWMDKSA-N 371.484 0.183 0 40 FCAB COc1ccc(C(=O)CN(CCN)[C@@H]2CCS(=O)(=O)C2)cc1OC 575420516 BKXDIICLMUUUAX-CYBMUJFWSA-N 356.444 0.334 0 40 FCAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 575420832 FOXDAKUMKCPFJT-AWEZNQCLSA-N 374.484 0.520 0 40 FCAB Cn1ccc(CC(=O)N2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)n1 585109030 ORYHWTFNRXHAPM-VQIMIIECSA-N 363.458 0.881 0 40 FCAB COCCNC[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O 585284478 FSXGPHVAMODBBF-RDJZCZTQSA-N 356.850 0.443 0 40 FCAB CN1N=C(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CCC1=O 643586002 MYLXFRVKUYWCHD-IDHHARJASA-N 357.410 0.741 0 40 FCAB CCOC(=O)CCn1c(=O)c2c(nc3n(CC)c(C)c(C)n23)n(C)c1=O 4314460 VEMRJDHVHBSOKL-UHFFFAOYSA-N 361.402 0.739 0 40 FCAB COc1ccccc1[C@H]1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C 4495856 HOVQMSLPOBNSHV-LBPRGKRZSA-N 355.350 0.461 0 40 FCAB CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)Nc2cccc(F)c2)[C@@H](O)[C@H]1O 8624278 LFPRDZALGZRLNB-LQKXBSAESA-N 369.393 0.351 0 40 FCAB biogenic,in-vitro COCC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12321493 UCMJZMNIDVXMRQ-UHFFFAOYSA-N 356.429 0.171 0 40 FCAB C[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(C)CC1 19819976 CDOKXUXLLZYQOU-ZDUSSCGKSA-N 355.460 0.372 0 40 FCAB C[C@H](NC(=O)[C@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 24906657 QQPLKQHXIBJESJ-RYUDHWBXSA-N 355.398 0.872 0 40 FCAB C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)N2CCc3ccccc3C2)CC1 28749944 FWOAQYBHHLGQET-INIZCTEOSA-N 370.497 0.856 0 40 FCAB CN(C)C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 29954175 CRFOENNBZFHBBN-HNNXBMFYSA-N 354.414 0.549 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 35301021 HZIXHGBQPSHFJA-UHFFFAOYSA-N 360.524 0.640 0 40 FCAB O=C(Cn1nnc2ccccc21)NCc1ccc(N2CCOCC2)nc1 45748057 VHKNLRVEBGTIKB-UHFFFAOYSA-N 352.398 0.979 0 40 FCAB COCCCNC(=O)CN(C)C(=O)c1cc(OC)c(OC)c(OC)c1 54538250 ZKPNOIMLZSNKJC-UHFFFAOYSA-N 354.403 0.937 0 40 FCAB C[C@@H]1Cc2cc(C(=O)N3CCNC(=O)CC3)ccc2N1S(C)(=O)=O 68258371 LVBACXRGEXVVPU-LLVKDONJSA-N 351.428 0.359 0 40 FCAB NC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCCC3)ccc21 71772468 WOCGZJWMLOCJBE-UHFFFAOYSA-N 350.400 0.056 0 40 FCAB O=C(CN1CCN(c2ccccn2)CC1)N[C@H]1c2ccccc2C[C@H]1O 89510300 LLPPMVPCSZACDS-XLIONFOSSA-N 352.438 0.978 0 40 FCAB CC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)CC1 95461714 GBSQZIJYGLFLSR-OAHLLOKOSA-N 369.487 0.466 0 40 FCAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(C(=O)C1CCOCC1)C2 96056994 NAOWZJVYBQGJMW-VQIMIIECSA-N 368.474 0.916 0 40 FCAB C[C@@H](NC(=O)NC(=O)CSc1nc(N)nc(N)n1)[C@H]1C[C@H]2CC[C@H]1C2 108845922 TYTOOKWAQOLAKV-XFWSIPNHSA-N 365.463 0.779 0 40 FCAB O=C(c1c[nH]c(=O)[nH]1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 245171705 XQTBDFSXNPKZRS-UHFFFAOYSA-N 367.413 0.587 0 40 FCAB CN(CCO)[C@H]1[C@H](NC(=O)c2ccccn2)C[C@@H](Oc2cccnc2)[C@@H]1O 257227124 FNUIGUAMNPSAAJ-BDXSIMOUSA-N 372.425 0.080 0 40 FCAB Cc1oc([C@@H]2OC[C@@H](O)[C@H]2O)cc1C(=O)NCCCN1CCCC1=O 257312120 UMOYSYJWYQWTGC-WQVCFCJDSA-N 352.387 0.123 0 40 FCAB CC(=O)N1CC[C@@]2(Cc3nc(=O)c(C(=O)NCc4ccccc4)cn3C2)C1 306135410 OQALRGOOISURPH-HXUWFJFHSA-N 366.421 0.968 0 40 FCAB COc1ccc(C(c2c(O)nc(=N)[nH]c2O)c2c(O)nc(=N)[nH]c2O)cc1 408920116 HHHRROCGKXPSMY-UHFFFAOYSA-N 372.341 0.103 0 40 FCAB COc1ccc(C(=O)N[C@H]2CO[C@@H](CN3CCC(F)(F)C3)[C@@H]2O)cc1 514289008 NUIHUCONDKSUIS-SOUVJXGZSA-N 356.369 0.894 0 40 FCAB biogenic,in-vitro CN1CCN(C[C@@H]2OC[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2O)CC1 514289363 RJIXMRGVXOKVKV-HRCADAONSA-N 353.850 0.446 0 40 FCAB biogenic,in-vitro COc1nnc(NC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)s1 521475337 OIUURDASOQQDIG-LDYMZIIASA-N 365.419 0.764 0 40 FCAB Cn1cc(C[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)s3)C2)cn1 531312610 FHHPYWLUWMQJOH-SNVBAGLBSA-N 354.457 0.834 0 40 FCAB Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CS(=O)(=O)C[C@H]1O 575426523 UWEXXEZZFVFTLY-GHMZBOCLSA-N 353.849 0.427 0 40 FCAB O=C(O)Cn1ccc(NC(=O)CCN2C(=O)CCc3cc(F)ccc32)n1 583650557 IRLCQWMLTUKZEA-UHFFFAOYSA-N 360.345 1.415 0 40 FCAB CC(C)N(CCO)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O 585284272 JJIRXHRGUAOORQ-ICSRJNTNSA-N 364.486 0.646 0 40 FCAB CO[C@H]1C[C@@H](CN(C)C)N(c2cc(N3CCn4nncc4C3)ncn2)C1 685942523 OIYCQGBQJDKVPP-ZFWWWQNUSA-N 358.450 0.244 0 40 FCAB Cn1cnc(C(=O)N2CCOC3(CCN(Cc4ccncc4)CC3)C2)n1 1565552861 ZHGKDFITQBUFQK-UHFFFAOYSA-N 356.430 0.717 0 40 FCAB O=C([C@@H]1CN(CC(=O)N2CCc3ccccc32)CCO1)N1CCOCC1 1888876432 LASNDXPKRLZXFU-KRWDZBQOSA-N 359.426 0.135 0 40 FCAB Cn1cnc2ncnc(N3C[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4C3)c21 1888909634 RHGNWXZIPTXJKG-OKILXGFUSA-N 362.393 0.985 0 40 FCAB CN(C)S(=O)(=O)N1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@@H]21 2055725621 MOGOUSQHYWAUBS-HRCADAONSA-N 355.460 0.884 0 40 FCAB COC(=O)[C@]1(CO)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 4884128 USVWRFCLHXFEDW-AZKPJATDSA-N 352.774 0.119 0 40 FCAB COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 10335656 JEJVTPVFFSSHRS-UHFFFAOYSA-N 369.443 0.930 0 40 FCAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCOCC3)CC2)Nc2ccccc21 12085616 CKRLDSVOHJJIPH-LJQANCHMSA-N 372.425 0.410 0 40 FCAB CNc1nc(C2CCN(C(=O)COC)CC2)nc2c1CCN(C(C)=O)C2 19711558 QHDLMQIVSNJRAD-UHFFFAOYSA-N 361.446 0.775 0 40 FCAB CN(C)c1ncc(CN2CCCC[C@H]2CCNS(=O)(=O)N(C)C)cn1 19745790 IBKCEDYPLAZUMX-HNNXBMFYSA-N 370.523 0.683 0 40 FCAB O=C(Cn1cccn1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 24978701 MSRKPADDTPAGJM-UHFFFAOYSA-N 374.466 0.905 0 40 FCAB C[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)N1CCCC1 32841068 ZJUCXHJUKQAOHB-ZDUSSCGKSA-N 368.455 0.946 0 40 FCAB COc1ccccc1CCNC(=O)c1nc(CC(=O)N2CCOCC2)no1 44901141 GOXLKVOFSFQHLB-UHFFFAOYSA-N 374.397 0.452 0 40 FCAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCN([C@@H]2CCCCNC2=O)CC1 72308538 JJZNXUWPTDZNPU-LSDHHAIUSA-N 363.462 0.986 0 40 FCAB Cc1c(CN2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)cnn1C 72335568 DJBKKFHRKKCLDJ-BETUJISGSA-N 372.473 0.984 0 40 FCAB C[C@H](C(=O)O)N1CC[C@@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 72342643 BIEUAGHTOHYQOQ-BMIGLBTASA-N 353.400 0.572 0 40 FCAB O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@]1(O)C(F)(F)F 79489761 DSSGGANVOGBGNV-GFCCVEGCSA-N 361.663 0.881 0 40 FCAB CN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 101458954 SPNWWGZMRWWLPZ-INIZCTEOSA-N 367.361 0.865 0 40 FCAB O=C(Cn1ncccc1=O)NCc1nnc2ccc(-c3cccs3)nn12 225763381 YHRQSKXHFCCYGT-UHFFFAOYSA-N 367.394 0.726 0 40 FCAB COc1ccc(S(=O)(=O)NCCN(C)C)cc1N1C(=O)CCC1=O 225814178 ZOQRVFKQTRSVHM-UHFFFAOYSA-N 355.416 0.189 0 40 FCAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)cc1 238923218 UIINYOHBOSQGQV-LLVKDONJSA-N 368.367 0.215 0 40 FCAB Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H](N3CCNC(=O)C3)[C@@H]2O)s1 257203422 APZFGENEVLAYMV-CKEIUWERSA-N 351.472 0.429 0 40 FCAB O=c1c(=O)n2c(nn1CC1CCC1)[C@@H]1CN(Cc3ccccn3)C[C@@H]1C2 306139408 SWOHFBWQSCKRHO-GDBMZVCRSA-N 353.426 0.829 0 40 FCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccncc3)C(=O)[C@H]12 409305924 NXEABDKDTVUFBG-ZXTQRBJTSA-N 372.333 0.347 0 40 FCAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCS1(=O)=O 516584215 RPLOKHMVLPEIBY-UONOGXRCSA-N 350.396 0.857 0 40 FCAB Cc1c([C@@H]2[C@@H](C(=O)N3CCOCC(F)(F)C3)CC(=O)N2C)cnn1C 520653935 BAUKUKLHMQEABO-FZMZJTMJSA-N 356.373 0.742 0 40 FCAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCSCCO 524731996 SHZWPUQXQLHBGQ-JDFRZJQESA-N 350.440 0.938 0 40 FCAB biogenic COc1cccc([C@H](NS(=O)(=O)c2cnc3n2CCC3)C(=O)O)c1 547882918 REQHPNRSPJDTFG-AWEZNQCLSA-N 351.384 0.942 0 40 FCAB Cn1cc(CN2C[C@H](n3ccnn3)[C@H](NC(=O)c3cccnc3)C2)cn1 685940645 QOTIUEVIKMWNGY-CVEARBPZSA-N 352.402 0.262 0 40 FCAB CC(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@@H]3CC2)n[nH]1 1565546171 WJRAHBVZHCYGGP-SJORKVTESA-N 363.462 0.479 0 40 FCAB COCC(=O)N[C@@H]1CN(Cc2snnc2C)C[C@H]1c1ccnn1C 1615546752 BYDSRHNSQGCQLX-VXGBXAGGSA-N 350.448 0.311 0 40 FCAB COCCN1C(=O)C[C@H](C(=O)NCc2ncoc2C)[C@H]1c1nccn1C 1615548080 MQXFGKQCVQGGTK-WFASDCNBSA-N 361.402 0.569 0 40 FCAB Cc1cc(S(=O)(=O)NCCc2nnc3n2CCN(C)C3=O)ccc1F 1616031337 LSDMLVAZKWHBHG-UHFFFAOYSA-N 367.406 0.332 0 40 FCAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cn(C)nn5)C[C@H]4C3)n1)CCC2 1888867055 HWQNXWYKVBNDEG-CHWSQXEVSA-N 353.430 0.611 0 40 FCAB Cc1cc(CC(=O)N2CCO[C@]3(COCC(=O)N(C(C)C)C3)C2)on1 2037984870 QEFWLIALWZRSGN-QGZVFWFLSA-N 351.403 0.390 0 40 FCAB CCOCC(=O)N1CCC(C(=O)N=c2ccn(C)[nH]2)(n2ccnc2)CC1 2055713750 HBJVBZNSGXMAFK-UHFFFAOYSA-N 360.418 0.031 0 40 FCAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(C(=O)c2ccco2)CC1 3359345 CYSLNAFCLIXDFT-UHFFFAOYSA-N 366.377 0.974 0 40 FCAB OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 4257488 MRPKNNSABYPGBF-SYEQVDHESA-N 357.370 0.050 0 40 FCAB biogenic,in-vitro NS(=O)(=O)c1ccc(CCNC(=O)CSc2ncccn2)cc1 7777607 YTDVMGQRMJFUET-UHFFFAOYSA-N 352.441 0.575 0 40 FCAB CCOC(=O)N1CCN(C(=O)CSc2ccc(NC(C)=O)nn2)CC1 11738685 NZKYLGKJJQFLLE-UHFFFAOYSA-N 367.431 0.828 0 40 FCAB O=C(c1ccccc1F)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1 12144895 JOXCQWFPNDVFJO-UHFFFAOYSA-N 358.373 0.944 0 40 FCAB CC(C)Cn1c(N)cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O 13016714 LPINXNLYYGWOOH-UHFFFAOYSA-N 360.370 0.616 0 40 FCAB CC(=O)Cn1c(CN2C[C@@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 13115480 LYRLWQRDYNGJHD-TXEJJXNPSA-N 361.446 0.501 0 40 FCAB Cn1nc(N2CCN(Cc3ccc(Cl)s3)CC2)c(=O)n(C)c1=O 14241011 HSBNEYGYHWZKFA-UHFFFAOYSA-N 355.851 0.516 0 40 FCAB COc1ccc(N2C[C@H](NC(=O)c3cccn4nnnc34)CC2=O)cc1 19661825 QNTKJYGNQOBYAB-LLVKDONJSA-N 352.354 0.668 0 40 FCAB Cn1c(C2CCN(S(C)(=O)=O)CC2)nn(Cc2ccc(F)cc2)c1=O 23141046 ZYHFDXBNYAZWDW-UHFFFAOYSA-N 368.434 0.908 0 40 FCAB C[C@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)N1CCOCC1 24682294 WQVZTMSQFVYIGZ-GFCCVEGCSA-N 362.473 0.089 0 40 FCAB Cc1cc(N2CCOCC2)nc(SCC(=O)N2CCN(C)CC2)n1 33739617 QMUDMHPMSAHOHM-UHFFFAOYSA-N 351.476 0.488 0 40 FCAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\N(C)C)c(=O)n12 35982214 KOXJDQGEUOJWPD-AXBRVURWSA-N 373.434 0.330 0 40 FCAB C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 48273340 VZMNBDRCFIPQEV-YPMHNXCESA-N 368.459 0.587 0 40 FCAB CCOC(=O)N1CCc2nn(CC(=O)Nc3cc(C)on3)c(=O)cc2C1 67319084 HNCOQRGNJGISQL-UHFFFAOYSA-N 361.358 0.693 0 40 FCAB COC(=O)[C@H]1C=CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 72389662 JOCHPBPCYIFMJN-BXKDBHETSA-N 352.368 0.508 0 40 FCAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)NCCN1CCOCC1 101413331 FKZHYLPUOPPJLD-HNNXBMFYSA-N 360.414 0.615 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccn(C)n1)CC2 248100777 DTQIAKPEZXRZAR-CYBMUJFWSA-N 370.475 0.180 0 40 FCAB CC(C)c1nccn1CCC(=O)NC[C@@]1(O)CCN(c2ncccn2)C1 257281506 OPNYFXVVKGKKID-SFHVURJKSA-N 358.446 0.944 0 40 FCAB COc1ncccc1C(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257307259 SXWWZJAUZNANJZ-SNVBAGLBSA-N 350.400 0.847 0 40 FCAB CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)CC2 332850999 UDLUYCBOBGCHKN-RYUDHWBXSA-N 357.405 0.798 0 40 FCAB Cc1cc(CN2CCC[C@@]3(C2)CN(CCS(C)(=O)=O)C3=O)n(C)n1 585099491 NWPCJUFSBDSYMR-MRXNPFEDSA-N 354.476 0.198 0 40 FCAB CNC(=O)CC[C@]1(O)CCCN(S(=O)(=O)c2cccc(OC)c2)C1 585278064 LKPDJZHOZCFTGQ-MRXNPFEDSA-N 356.444 0.737 0 40 FCAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 643432783 ZVZJXNBAHZXUSA-CWSCBRNRSA-N 359.350 0.779 0 40 FCAB O=C(CNS(=O)(=O)c1ccccc1)N1CCO[C@@H]([C@@H]2CCCO2)C1 1118208444 LWNHCURUIKIRPU-LSDHHAIUSA-N 354.428 0.371 0 40 FCAB O=C(NCc1ccon1)[C@@H]1C[C@]2(CO1)CN(Cc1nccs1)CCO2 1565541659 LDJAJEIQBDJFHM-XJKSGUPXSA-N 364.427 0.807 0 40 FCAB Cc1nc(C(=O)N2CCN(C(=O)N(C)C)C[C@]3(CNC(=O)C3)C2)cs1 1614940461 MUPVAEVXNXBTDC-MRXNPFEDSA-N 365.459 0.397 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)C5CC5)C[C@H]4C3)nn12 1888888427 AFXKEWXIUYGNKW-TXEJJXNPSA-N 362.459 0.547 0 40 FCAB COc1cc(C(=O)N2C[C@H]3OC[C@H](C(=O)NCc4ccco4)[C@H]3C2)on1 2055713268 QRIAGFZJDTXOSW-MBNYWOFBSA-N 361.354 0.680 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccc(OC)cc2)CC1 2055746102 KYHXJJHNKSBWIC-UHFFFAOYSA-N 371.441 0.684 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3c(Cl)cnn3C)[C@H]2SC1 2752043 QCWDXOZIIAXUNK-JVXZTZIISA-N 356.791 0.446 0 40 FCAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(C)c(=O)n1N 4337943 MBQUSQXIWAJOMJ-UHFFFAOYSA-N 363.399 0.568 0 40 FCAB CCCn1c(N)c(C(=O)CN2CCC[C@H]2c2cccn2C)c(=O)n(C)c1=O 7039355 WPFBGMIMZWNLIR-AWEZNQCLSA-N 373.457 0.898 0 40 FCAB Cc1c(C)n2c3c(=O)n(CC(=O)O)c(=O)n(C)c3nc2n1C1CCCC1 8992818 KDOJEZSQJHKGRV-UHFFFAOYSA-N 359.386 0.966 0 40 FCAB O=C1COc2ccc(S(=O)(=O)NCCCN3CCCC3=O)cc2N1 12187858 DMDBSQMXZZWBHY-UHFFFAOYSA-N 353.400 0.308 0 40 FCAB Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1CC(=O)O 12558761 ZQZRVBIFQQSRSB-UHFFFAOYSA-N 367.365 0.591 0 40 FCAB Cn1nnc2c(N3CCN(CC(=O)Nc4ccccc4F)CC3)ncnc21 13533706 JOJPQDMJVDNRFE-UHFFFAOYSA-N 370.392 0.658 0 40 FCAB COc1ccc(CC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1OC 16915551 OZVMXVANCORMLU-UHFFFAOYSA-N 361.398 0.789 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)c2cc(F)ccc2-n2cnnn2)cc1 20731417 WRYBFFKMJODHDW-UHFFFAOYSA-N 362.346 0.701 0 40 FCAB O=C(Nc1ccccc1-n1cnnn1)N1CCN(c2cnccn2)CC1 40151190 DNSXLQAGMIDZGJ-UHFFFAOYSA-N 351.374 0.806 0 40 FCAB CC(=O)N1CCN(CCC(=O)Nc2ccc(-c3nnn(C)n3)cc2)CC1 72400889 FVPOZMBXKODDDR-UHFFFAOYSA-N 357.418 0.370 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NC[C@@]2(O)CCc3ccccc32)CC1 75155706 FLSDZAVNJDMEBT-KRWDZBQOSA-N 352.456 0.608 0 40 FCAB CCOC(=O)Cc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 95116287 PXVYCXPFTRABTK-UHFFFAOYSA-N 374.378 0.878 0 40 FCAB Cc1nnsc1C(=O)N1CCC(CNC(=O)N2CCNC2=O)CC1 96120391 KZZMSLPGIVHLFA-UHFFFAOYSA-N 352.420 0.434 0 40 FCAB CN(C)C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3cccnc3)CC2)O1 96144824 ZMNZLDFIKRXMQZ-OAHLLOKOSA-N 369.425 0.897 0 40 FCAB CCN1CCN(S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)CC1 225234964 RSFCZWRFPNYAGF-UHFFFAOYSA-N 361.493 0.849 0 40 FCAB NCCc1ccc(C(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)cc1 257201102 AGHGVZHRJHWQMR-GUDVDZBRSA-N 361.486 0.922 0 40 FCAB CC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)C[C@@H]1C(=O)N(C)C 257218366 DCWOKXGKAHKWCA-GOSISDBHSA-N 372.469 0.587 0 40 FCAB Cc1nc(CN2CC[C@@](O)(CNC(=O)c3cnco3)[C@H](O)C2)cs1 257325916 WVACZMQVULGFSC-UKRRQHHQSA-N 352.416 0.167 0 40 FCAB COc1cc(S(=O)(=O)N(C)Cc2nncn2C)c(Cl)cc1C(=O)O 287310929 UJWUIKBBKUWFCM-UHFFFAOYSA-N 374.806 0.996 0 40 FCAB Nc1nc(NC(=O)c2ccccc2)c2ncn([C@@H]3C[C@@H](O)[C@H](CO)O3)c2n1 390828337 QKCMMMLZVJLZRK-WOPDTQHZSA-N 370.369 0.302 0 40 FCAB O=C(/C=C/c1ccccc1F)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 585287957 JWDNJFOOINXQSQ-YKTJGPKUSA-N 350.390 0.104 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCN(c2nccc(N3CCOCC3)n2)C1 676306667 NGGFCMJVRRGLEH-CYBMUJFWSA-N 355.464 0.079 0 40 FCAB CC(C)N1C[C@@H]2Oc3ccccc3S(=O)(=O)NC[C@H](O)CN(C)[C@@H]2C1 1534613513 VPKJLUFEMNGUER-LZWOXQAQSA-N 369.487 0.111 0 40 FCAB COCCN1C(=O)CC[C@H]1c1nc(CNC(=O)c2cc(C)nn2C)no1 1775964078 QNMLJHRDKHDVGA-NSHDSACASA-N 362.390 0.351 0 40 FCAB biogenic,in-vitro Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCSCC3)C2)cnn1C 2732393 SLJBCZKMNFUDTJ-ZDUSSCGKSA-N 372.516 0.705 0 40 FCAB CC[C@H](CO)NC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4479779 KRSQNXRPSBAALO-VXGBXAGGSA-N 351.403 0.879 0 40 FCAB COc1ccccc1CCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 6081381 VWKDCGAZTCIEDA-ZDUSSCGKSA-N 355.412 0.474 0 40 FCAB CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)O[C@@H](C)C(N)=O)cc1 11529856 YIALEMRSKXIJEZ-NSHDSACASA-N 356.400 0.365 0 40 FCAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1nncs1 12807933 AQORUAWJWGRQQR-UHFFFAOYSA-N 356.454 0.867 0 40 FCAB Cn1c(COC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc(=O)n(C)c1=O 12950302 XXLBMYMDVDCWOC-LBPRGKRZSA-N 361.329 0.392 0 40 FCAB CC(C)n1nnc(CC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)n1 19455023 PBJDHNYRHPXOAN-UHFFFAOYSA-N 360.393 0.920 0 40 FCAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCc1ccncc1 31818099 LCGQHCHEFGKMDX-HNNXBMFYSA-N 352.394 0.867 0 40 FCAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C(=O)N(C)C 40121207 WLNGEFVWWZBIEW-LLVKDONJSA-N 353.444 0.581 0 40 FCAB CS(=O)(=O)N1CCC[C@H](Nc2ccc3nnc(C(F)(F)F)n3n2)C1 67904576 TVCXFGYDQSHRJO-QMMMGPOBSA-N 364.353 0.979 0 40 FCAB CCOC(=O)CN(C)S(=O)(=O)N(C)Cc1ccc2c(c1)OCCO2 72307521 GXCNDTAXCGGVJP-UHFFFAOYSA-N 358.416 0.629 0 40 FCAB CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)C2CCOCC2)c1 84791110 AZZZOZFGVQCSJQ-OAHLLOKOSA-N 374.434 0.641 0 40 FCAB CC(=O)O[C@@]1(C)[C@@H](C)C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 86053361 ZVBPCOQJPAOXMI-YHUJOOKZSA-N 367.398 0.178 0 40 FCAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)c1cnccn1)CC2 96199866 GUPPXVRDBHWGRA-CQSZACIVSA-N 354.414 0.831 0 40 FCAB O=C(NCCN1CCOCC1)C1=NO[C@]2(CCN(Cc3ccncc3)C2)C1 96225697 PNQMLMLWUWHGIL-LJQANCHMSA-N 373.457 0.251 0 40 FCAB COc1cccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)c1 222671409 KLIZHAMKFRVXBK-UHFFFAOYSA-N 361.354 0.065 0 40 FCAB COc1ccc(S(=O)(=O)NCCCN(C)C)cc1N1C(=O)CCC1=O 224863554 XFJFECDXEODQFO-UHFFFAOYSA-N 369.443 0.579 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)COC2CCCC2)Cc2ccnn21 247527635 NRXBYUFHNLXJCQ-ZDUSSCGKSA-N 356.448 0.275 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2ccnc(Nc3cnccn3)n2)CC1 257227486 FPNNODKNUSYRMH-UHFFFAOYSA-N 363.447 0.996 0 40 FCAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)CCc1ccnn1C 257296718 REBSRAPMRUCTQS-SFHVURJKSA-N 358.446 0.633 0 40 FCAB Cc1cnn(CC(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c1 257337486 YSZWZCMRBPAMNH-MGPQQGTHSA-N 368.434 0.039 0 40 FCAB COc1ccnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1 265447363 SCDILOZBANVSKG-UHFFFAOYSA-N 357.418 0.438 0 40 FCAB O=C(O)[C@H]1Cn2c(O)nnc2CN1C(=O)Cc1ccc2c(c1)CCCO2 571284377 UHHUJLOQVWWMRM-GFCCVEGCSA-N 358.354 0.347 0 40 FCAB O=C(CO[C@@H]1CSC2(C1)CN(C(=O)c1cnccn1)C2)N1CCCC1 575402939 FSSIQGXZTIFUAT-ZDUSSCGKSA-N 362.455 0.816 0 40 FCAB Cn1cc(-c2ncnc3c2CN(C(=O)Cn2ccccc2=O)CC3)cn1 1565556364 DZQCRDIAASMTNW-UHFFFAOYSA-N 350.382 0.624 0 40 FCAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NS(C)(=O)=O)C2)n(-c2cccnc2)n1 2332241492 AAIZHRAFVWZOGG-IACUBPJLSA-N 351.432 0.517 0 40 FCAB O=[N+]([O-])O[C@H]1CCC[C@H](O[N+](=O)[O-])c2c1[n+]([O-])c1ccccc1[n+]2[O-] 5760243 VNBOEPICNCWUHT-QWRGUYRKSA-N 352.259 0.789 0 40 FCAB COc1ccc(Br)cc1S(=O)(=O)NCCNC(C)=O 8193433 DHQHULZUCURVMD-UHFFFAOYSA-N 351.222 0.872 0 40 FCAB CCNC(=O)NC(=O)CSc1nnc(N2CCOCC2)n1CC(C)C 8249954 OCYGGJIYEAQEIF-UHFFFAOYSA-N 370.479 0.709 0 40 FCAB O=S(=O)(c1ccc(Sc2nnnn2C2CC2)nc1)N1CCOCC1 9463262 OQWCXKLNRWVDJR-UHFFFAOYSA-N 368.444 0.575 0 40 FCAB CC[C@@]1(C)NC(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1=O 9834510 QMSILFMJYXXLRC-MRXNPFEDSA-N 368.340 0.740 0 40 FCAB CCCCCn1c(SCC(=O)OC)nc2c1c(=O)n(C)c(=O)n2C 13536344 WZXJDFSRPDMPDF-UHFFFAOYSA-N 354.432 0.889 0 40 FCAB Cc1noc(C)c1COC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O 24198051 DRLRWJRLUWVKDC-UHFFFAOYSA-N 356.338 0.844 0 40 FCAB Cc1ccc(NC(=O)[C@H](C)OC(=O)CC[C@@H]2NC(=O)NC2=O)c(F)c1 25385609 UCORCWLTOXLRMQ-CABZTGNLSA-N 351.334 0.993 0 40 FCAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)N[C@H]1CCCCNC1=O 40088522 IAWYWSRLWRXYGM-HNNXBMFYSA-N 350.463 0.106 0 40 FCAB Cc1ccc(NC(=O)C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1F 43941642 XRXVIUYEPHMDNR-UHFFFAOYSA-N 371.434 0.860 0 40 FCAB Cc1cc(C)cc(OCCNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 55526621 DSDGBQSANLMRAT-HNNXBMFYSA-N 354.472 0.917 0 40 FCAB CN(CC(=O)NC(C)(C)C)C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 58053356 IGRTUSPLMBABIH-HNNXBMFYSA-N 360.458 0.272 0 40 FCAB Cc1csc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)n1 58378241 VJRIIMHDEFNDMY-UHFFFAOYSA-N 370.456 0.731 0 40 FCAB O=S(=O)(c1ccc(Br)cc1F)N1CCN(CCO)CC1 68741437 PXGFHUSWNASSRK-UHFFFAOYSA-N 367.240 0.887 0 40 FCAB C[C@H]1CN(S(=O)(=O)CCNc2cncc(-n3cccn3)n2)C[C@H](C)O1 69980386 UKGONCHCMSGCGX-STQMWFEESA-N 366.447 0.513 0 40 FCAB COCCCNC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 94992987 SOKUUACVEFXBPK-UHFFFAOYSA-N 372.425 0.605 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2cnc3sc(C)cn3c2=O)CC1 95472138 MLKZGKTXOPPNPF-UHFFFAOYSA-N 350.400 0.979 0 40 FCAB CC(C)NC(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 96156288 HMCVOWKEARWVQV-NSHDSACASA-N 351.432 0.616 0 40 FCAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(c2ncccn2)CC1 103050325 ZAUHMIKBSDWULV-GASCZTMLSA-N 371.441 0.691 0 40 FCAB O=C(CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)N[C@H]1CCS(=O)(=O)C1 106577925 ZDZDLTSEUBDSJJ-BFHYXJOUSA-N 370.858 0.863 0 40 FCAB Cc1ccc(S(=O)(=O)[C@]23OC(C)(C)O[C@H]2[C@@H](O)[C@@H]2CO[C@@H]3O2)cc1 169808040 GDLOUXJFINZTDN-GRYWWWGRSA-N 356.396 0.733 0 40 FCAB CCOC(=O)N(CCNC(=O)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O 217364971 WPKZPHYJOUWOMY-ZIAGYGMSSA-N 370.427 0.033 0 40 FCAB CC(=O)N(C)[C@H]1CC2(CCN(C(=O)c3ccon3)CC2)OC[C@]1(C)O 257274571 NLQAZGUKZFIVRO-HOCLYGCPSA-N 351.403 0.668 0 40 FCAB CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)nc2)C1 270692036 WLGYIOVEKYSGFL-ZSDNHXBWSA-N 359.473 0.539 0 40 FCAB CN1C[C@H](C(=O)N(C)Cc2ccccn2)O[C@@]2(CCN(C(=O)C3CC3)C2)C1 306143982 YSOBMBOSQNWYSW-XLIONFOSSA-N 372.469 0.752 0 40 FCAB CC(C)n1ncc2cc(S(=O)(=O)N[C@@H]3CC(=O)N(C)C3=O)ccc21 329305371 XNPBVFCKNZMSOZ-GFCCVEGCSA-N 350.400 0.653 0 40 FCAB CN(C)CCN1C[C@H](C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)CC1=O 581488896 DJRMSQIIEDQGAW-ZACQAIPSSA-N 373.453 0.723 0 40 FCAB CN(C)S(=O)(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 585104663 KPCUMDISABUGAT-CYBMUJFWSA-N 350.506 0.796 0 40 FCAB COC[C@@]1(C(=O)O)CCCN1CC(=O)NCCOc1cccc(F)c1 643879190 MMBSPXZAOLJHPJ-QGZVFWFLSA-N 354.378 0.886 0 40 FCAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)NCc1ccccn1 1547201023 JBDBGLKKBKCDCF-UHFFFAOYSA-N 364.365 0.745 0 40 FCAB COc1ccc(C(=O)N[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(C3CC3)nn2)cc1 1549161903 PYPLDQKGGNJGBV-GVDBMIGSSA-N 358.398 0.722 0 40 FCAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)c3cccc(Cl)n3)C[C@H]12 2055717907 FDEMOKHSBOCRGI-GMXVVIOVSA-N 373.862 0.761 0 40 FCAB CNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 4554147 NLEQEMAGODWFRB-CQSZACIVSA-N 367.471 0.791 0 40 FCAB Cc1ccc(C(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c(C)c1 7989402 SDNLLKGFBCNDOX-CYBMUJFWSA-N 352.412 0.841 0 40 FCAB O=C(Cc1csc(N2CCCC2=O)n1)N1CCN(c2ncccn2)CC1 8134705 GNBBLXXVNMWPKB-UHFFFAOYSA-N 372.454 0.951 0 40 FCAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 9388861 FVBGJYUUWBZXLN-GFCCVEGCSA-N 369.418 0.937 0 40 FCAB Cn1ncc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)c1C(N)=O 13722929 URPQIVPSVYPHEJ-UHFFFAOYSA-N 354.370 0.298 0 40 FCAB O=C([C@H]1Cc2ccccc2O1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14252420 LLYOSDGKZYGZMH-GDBMZVCRSA-N 350.440 0.321 0 40 FCAB CC(=O)OC[C@@H]1O[C@H](F)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 15636043 JJXATNWYELAACC-NDKCEZKHSA-N 350.295 0.039 0 40 FCAB CNCc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)N2CCCC2)n1 19760796 LWQQVBGQQGQFSA-AWEZNQCLSA-N 368.507 0.740 0 40 FCAB CCOC(=O)c1nnn(-c2nonc2N)c1CNC[C@@H](O)c1ccccc1 19818591 NUANRESMDNFNNS-GFCCVEGCSA-N 373.373 0.232 0 40 FCAB O=C(CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1)NCC(F)(F)F 32777776 OLOSWBUKYVWXPY-ZCFIWIBFSA-N 359.351 0.742 0 40 FCAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1ccco1 36358598 DTQXBWYQZBBBPC-UHFFFAOYSA-N 353.338 0.943 0 40 FCAB Cc1csc2nc(CN3CCCC[C@H]3CNS(C)(=O)=O)cc(=O)n12 40072425 IRJVJIGZWNBIBI-ZDUSSCGKSA-N 370.500 0.968 0 40 FCAB CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1 96107905 RHDRXJOQBBBNEV-UKRRQHHQSA-N 358.485 0.990 0 40 FCAB COCC(=O)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96145080 CODDTLCQLHWRDM-UHFFFAOYSA-N 354.428 0.613 0 40 FCAB CC(=O)NCC(=O)N1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1 96244126 BMAZBODGHNMINB-GOSISDBHSA-N 359.430 0.435 0 40 FCAB CCN1CCn2c(nn(CC(=O)N[C@@H]3CCc4ccccc43)c2=O)C1=O 98213044 GLXJQFWGHCHYFR-CQSZACIVSA-N 355.398 0.324 0 40 FCAB CN(c1ccc(CC(=O)NCCN2CCOCC2)cc1)S(C)(=O)=O 225978545 XPKPYJDERNALTK-UHFFFAOYSA-N 355.460 0.073 0 40 FCAB CCc1cc(C(=O)NCc2ccnc([C@H]3CN(C(C)=O)CCO3)n2)on1 257249186 JHEXPOFBNKDZBY-OAHLLOKOSA-N 359.386 0.877 0 40 FCAB O=c1[nH]c2ccc(S(=O)(=O)N3C[C@@H]4CCCN4C[C@@H]3CCO)cc2[nH]1 257319793 VUASWMWRFAXEQU-RYUDHWBXSA-N 366.443 0.076 0 40 FCAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)CCN2CCCC2=O)n1 257334630 YGSQGXLJEDAFKA-HNNXBMFYSA-N 359.430 0.789 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C)CC1 408593926 OWZIRFKUQXPSGD-ZDUSSCGKSA-N 355.460 0.444 0 40 FCAB COC[C@@H](NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1)C1CC1 583614991 IKTSPPDEZJEQAJ-KGLIPLIRSA-N 356.448 0.326 0 40 FCAB CS(=O)(=O)NC[C@H]1CCC2(CN(S(=O)(=O)c3ccccc3)C2)OC1 585105308 STPXIFWZOPPHHQ-CYBMUJFWSA-N 374.484 0.406 0 40 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FCAB CS(=O)(=O)NC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21 247493543 CHUZXUOOSMNQFK-AWEZNQCLSA-N 364.427 0.718 0 40 FCAB COc1ccc(C(=O)N2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)cc1 248124629 GZLNOECAAAAFCD-AWEZNQCLSA-N 364.427 0.638 0 40 FCAB Cn1cccc1C(=O)NC[C@@H]1CN(S(C)(=O)=O)Cc2ccnn2C1 248127614 MHAHLPNAHYFZHD-GFCCVEGCSA-N 351.432 0.043 0 40 FCAB O=C(NCCn1nnc2ccc(F)cc2c1=O)[C@H]1COc2ccccc2O1 253399867 KCALLRPUVBNZJY-MRXNPFEDSA-N 370.340 0.887 0 40 FCAB O=C(CN1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1)N1CCOCC1 257222022 DRORGWOXTLNXAN-RDJZCZTQSA-N 352.406 0.889 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cncc(-c3cnn(C)c3)n2)C1 257252950 JWWODRZXBOGDNW-GFCCVEGCSA-N 350.448 0.548 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Nc3cccnn3)C2)cc1 585148927 LELYDGRZMJWUDY-UHFFFAOYSA-N 361.427 0.663 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C3(CCOC)CCCC3)C2)C1 685942860 RWJPGPKMOMQAAK-CYBMUJFWSA-N 351.447 0.389 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccnc2)C3)n1 1565547298 PGTFSKIHYYOPKD-UHFFFAOYSA-N 354.414 0.865 0 40 FCAB COC(=O)c1ccc(NCc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 1694546 PWOQQPXBVLIEMR-UHFFFAOYSA-N 357.370 0.369 0 40 FCAB Nc1ccccc1NC(=O)c1nc2ccccc2nc1[C@@H](O)[C@@H](O)CO 4748199 SFSYCEFNBLAIPE-YOEHRIQHSA-N 354.366 0.851 0 40 FCAB C[C@@H](OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(N)=O 4950586 QTYPYZSASPNSHN-SNVBAGLBSA-N 365.411 0.265 0 40 FCAB CCOC(=O)[C@@H](N)CS[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 5598342 VMPLTHDIFQEJFQ-RYUDHWBXSA-N 366.395 0.640 0 40 FCAB CCC(CC)NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C 6653198 HTCATLSLIKWJEL-UHFFFAOYSA-N 372.491 0.826 0 40 FCAB CC(C)CN(C(=O)[C@@H]1CCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 7814078 IAKBZNLIKLDINW-LBPRGKRZSA-N 352.435 0.943 0 40 FCAB COCCCNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)O)cc(C)c1C 12975497 WZRUZVRRNWJVDT-UHFFFAOYSA-N 372.443 0.775 0 40 FCAB COCCNC(=S)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 13040279 HWWQXYWARIPRKH-HNNXBMFYSA-N 352.416 0.488 0 40 FCAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 13366970 ZNNZVFFBZSJKAC-UHFFFAOYSA-N 374.371 0.972 0 40 FCAB Nc1ncnc2nc([C@H]3CN(S(=O)(=O)N4CCCC4)CCO3)ccc12 19704781 YTLWEGZJCSNDAT-CYBMUJFWSA-N 364.431 0.321 0 40 FCAB C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)N2CCc3ccccc3C2)CC1 28749940 FWOAQYBHHLGQET-MRXNPFEDSA-N 370.497 0.856 0 40 FCAB COc1cccc2ccn(CC(=O)N3CCN(S(C)(=O)=O)CC3)c12 32070653 XDTCAAAVQBFXJA-UHFFFAOYSA-N 351.428 0.754 0 40 FCAB CC1=NN(c2ccc(C(=O)NCCN3CCS(=O)(=O)CC3)cc2)CC1 58358145 LRSOFBSOOFVNKK-UHFFFAOYSA-N 364.471 0.733 0 40 FCAB COCCOc1ccc(NC(=O)N2CCCN(CC(=O)OC)CC2)cn1 75107518 VPCRSJORQCSXBO-UHFFFAOYSA-N 366.418 0.819 0 40 FCAB Cc1cc(C)n(-c2nc(CCNC(=O)CN(C)S(C)(=O)=O)cs2)n1 90609362 BALYRGDEELWCPS-UHFFFAOYSA-N 371.488 0.496 0 40 FCAB CC(C)C(=O)N1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N(C)C)CC1 96263585 PLNXUYLJCPMESX-CJNGLKHVSA-N 359.492 0.373 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 105352317 DOMSBGXMTOVLON-AJNNRKIQSA-N 357.410 0.588 0 40 FCAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCc3n[nH]c(=O)cc3C2)CC1 217568160 NWLDAKJYRREBBC-GFCCVEGCSA-N 362.430 0.954 0 40 FCAB Cc1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCNS(C)(=O)=O)cc(C)n1 247542310 SOFPPHCFFXRYDX-HNNXBMFYSA-N 367.471 0.869 0 40 FCAB Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)c1 253471788 FRUQWADVWPGWBX-KBMXLJTQSA-N 368.455 0.726 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cc(-c3nccn3C)ncn2)CC1 257221751 DQJOPHKJPYCPTO-UHFFFAOYSA-N 364.475 0.938 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257242951 IEWWZIZZGMGRSP-AWEZNQCLSA-N 359.430 0.793 0 40 FCAB CNc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)[C@@H]1O 257288375 PTYWMKAMMOHPDG-LLHIFLOGSA-N 364.406 0.428 0 40 FCAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CC[C@@](O)(CN2CCOCC2)C1 257318928 VPZKOQMSQSQEEE-GOSISDBHSA-N 357.414 0.381 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2C[C@H](CNC(=O)c2cscn2)C1 585098982 BAKOKEUKCGYUED-LLVKDONJSA-N 369.472 0.551 0 40 FCAB Cc1noc(CC(=O)N2CCC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)n1 585100899 BAOWEPPYMQTNAG-QGZVFWFLSA-N 358.402 0.700 0 40 FCAB CN(C1CCN(C(=O)CCc2ccco2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O 585287710 BWCVYXSZZLUXTJ-NUJGCVRESA-N 352.431 0.256 0 40 FCAB COC(=O)/C=C1/C(=O)O[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 586106223 GHQNSEQBKJGFKW-OBFMZJQYSA-N 351.380 0.268 0 40 FCAB Cc1ccccc1OCCN(C)C(=O)C[C@H]1CS(=O)(=O)CCN1C 644263608 MNBBSSUFSWVOPP-HNNXBMFYSA-N 354.472 0.951 0 40 FCAB O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CC(N2CC[C@@H](O)C2)C1 651093919 HQMCVRAYCCZAQN-GDBMZVCRSA-N 365.478 0.127 0 40 FCAB Cc1cc(N2CCCN(c3ccc4nncn4n3)CC2)n2ncnc2n1 1565520773 OFKPYWXDNXGIEC-UHFFFAOYSA-N 350.390 0.587 0 40 FCAB O=C(NCc1ccccn1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 2055772682 OVNXLUMIRIOWLN-XNNFIENISA-N 371.437 0.596 0 40 FCAB Cn1c(=O)n(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c(=O)n1C 1439912 RZEHYQFTDNQYPF-UHFFFAOYSA-N 366.443 0.486 0 40 FCAB C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)N3CCNC(=O)C3)c2)C1 3432834 VYPVJGLIACMDOU-ZDUSSCGKSA-N 365.455 0.679 0 40 FCAB COc1cccc(C2=NN(C)c3nc4c(c(=O)n(C)c(=O)n4C)n3C2)c1 4284936 ZIJOPJUTSTVEAH-UHFFFAOYSA-N 354.370 0.296 0 40 FCAB biogenic CC(=O)[C@H](C)n1c(=O)c2c(nc3n(C[C@@H]4CCCO4)c(C)cn23)n(C)c1=O 4314261 COMIHJICOIZBSH-AAEUAGOBSA-N 373.413 0.787 0 40 FCAB Cc1nnc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1 5894476 FDZLSFPGMAPUQZ-LBPRGKRZSA-N 366.468 0.971 0 40 FCAB COc1ccccc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2OC)[nH]c1=O 6007449 SVXGBEWJMBBCQR-NFLUSIDLSA-N 350.374 0.738 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 8769414 HEXVXTHRQHXGQO-UHFFFAOYSA-N 353.400 0.400 0 40 FCAB CCOC(=O)Cn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2C)n(C)c1=O 12231959 GKQOEMOFYOCNOR-UHFFFAOYSA-N 374.401 0.108 0 40 FCAB Cc1ccc(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1F 12487031 GHMZYLVPGAMUOB-UHFFFAOYSA-N 359.361 0.198 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 14049196 SDYQBMJAUONCBU-UPJWGTAASA-N 356.444 0.998 0 40 FCAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 14139276 DHWJETLLEWCXRL-UHFFFAOYSA-N 369.425 0.485 0 40 FCAB O=C1CN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CCN1 23381105 VWFGOCXUCCNGOO-UHFFFAOYSA-N 373.482 0.948 0 40 FCAB Cc1noc(C)c1CCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 32722635 ZPTQDBHFKXRNOK-UHFFFAOYSA-N 364.446 0.227 0 40 FCAB Cn1nc(C(=O)N2CCC[C@H](C(=O)N3CCCCC3)C2)c2c1CCNC2 34928757 COMMJWUUBMOTJJ-AWEZNQCLSA-N 359.474 0.931 0 40 FCAB COc1cc(NC(=O)CNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(OC)c1 36353011 STNAPWZBIDIELT-SNVBAGLBSA-N 371.415 0.129 0 40 FCAB COc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)ccc1C 58217871 TXSNZFSKSIGOSU-GJZGRUSLSA-N 352.456 0.995 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc2c1OCCO2 58324209 MONLAHRHVVNYGU-CQSZACIVSA-N 368.455 0.583 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)C(=O)O)C2)cc1 68736416 MULMVAYHPYDXBR-VXGBXAGGSA-N 370.427 0.685 0 40 FCAB CN(CCC(=O)N(C)C)C[C@@H](CC(=O)Nc1cccc(O)c1)C(=O)O 71282154 HDQGOVPZHAECTR-GFCCVEGCSA-N 351.403 0.832 0 40 FCAB O=C(c1csc(NC2CC2)n1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 72404767 XNXXBRZNYLOEIS-LBPRGKRZSA-N 370.500 0.662 0 40 FCAB Cc1cc(-c2nnn(CCNS(=O)(=O)c3cnn(C)c3)n2)ccc1F 78965089 UKWLLMCUUXXOLH-UHFFFAOYSA-N 365.394 0.500 0 40 FCAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)Cc3ccc(OC)cc3)C[C@@H]2N1C(C)=O 96182754 DARYVQNZCJYRFA-OIISXLGYSA-N 359.426 0.432 0 40 FCAB CS(=O)(=O)CC(=O)N1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96209791 GFBKWUXGHCAILV-ZBFHGGJFSA-N 354.428 0.403 0 40 FCAB COC[C@H]1CC2(CCN(C(=O)CS(C)(=O)=O)CC2)CN1CC1CC1 96220757 UBWPXHWYASYWMS-OAHLLOKOSA-N 358.504 0.771 0 40 FCAB O=C(N[C@@H]1CN(CC2=Cc3ccccc3OC2)C[C@H]1O)c1cnccn1 257213915 CJRJPRQHIZNLBA-IAGOWNOFSA-N 352.394 0.728 0 40 FCAB Cc1ncsc1C(=O)N1CCOC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257247447 IZBYPLMMNZCQOJ-SECBINFHSA-N 356.429 0.792 0 40 FCAB CNC(=O)c1cnn2c(C3CCN(C(=O)c4cnn(C)c4)CC3)ccnc12 257276369 NTJXOERVOHVHSQ-UHFFFAOYSA-N 367.413 0.842 0 40 FCAB C[C@@H](Oc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N1CCOCC1 408607131 QDWJSQYMCMZHRZ-GFCCVEGCSA-N 354.428 0.753 0 40 FCAB CC(C)C(=O)N1CC2(CN(C(=O)c3cccnc3)C[C@@H]3C[C@@H](O)CN32)C1 514289197 JEBZHYGREQRAAA-JKSUJKDBSA-N 358.442 0.210 0 40 FCAB biogenic,in-vitro CN(C1CCCCC1)S(=O)(=O)N1CCN(CC2(C(=O)O)CC2)CC1 570338545 XQOINTIFCQSWNX-UHFFFAOYSA-N 359.492 0.978 0 40 FCAB Cn1ccnc1[C@@H]1OCC[C@H]1CN1CCC(CNS(C)(=O)=O)CC1 668142046 REXNTMZOLUDZEA-LSDHHAIUSA-N 356.492 0.759 0 40 FCAB CC1(C)NC(=O)N(CCCN2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)C1=O 671531723 XJQTWYXPUIKPFW-KFWWJZLASA-N 353.463 0.959 0 40 FCAB O=C(NCCCc1nc(O)n[nH]1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 682264681 PPQKQLOJQUSAHR-STQMWFEESA-N 363.418 0.000 0 40 FCAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)Cn2cc3ccccc3n2)C1 685943006 PQOYEKCAYNGUNI-SQWLQELKSA-N 354.414 0.836 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3ccc(C)c4c3CCC4)C2)C1 685943346 ZNKLMVUBIHEBIB-ZDUSSCGKSA-N 355.438 0.903 0 40 FCAB COC[C@H]1CC2(CCN(C(=O)CC3(O)CCC3)CC2)CN1S(C)(=O)=O 1565542482 GHAXJRSXSOVUJV-CQSZACIVSA-N 374.503 0.581 0 40 FCAB O=C(Cn1ccccc1=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 1565552583 NVVLCVVNJIZGJK-ROUUACIJSA-N 368.437 0.745 0 40 FCAB Cc1ccccc1C[C@@]1(CO)CN(CC(=O)Nc2nonc2C)CCO1 1615082677 IBQCRSLLQDOMFC-SFHVURJKSA-N 360.414 0.931 0 40 FCAB Cc1nc(N2C[C@@H]3CN(c4ncnc5[nH]cnc45)C[C@@H]3C2)nc(O)c1F 1888919423 IMRWNMFWRXBRIR-AOOOYVTPSA-N 356.365 0.869 0 40 FCAB C[C@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCO)C1 4930442 QPYNXNKRWNDZLH-BETUJISGSA-N 363.462 0.294 0 40 FCAB CCNC(=O)NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O 6650663 WQRYKVXJSLJQON-INIZCTEOSA-N 350.350 0.829 0 40 FCAB CCCCN(C(=O)C1=COCCO1)c1c(N)n(CCCC)c(=O)[nH]c1=O 13012526 FNNSWHWOYKXFTC-UHFFFAOYSA-N 366.418 0.940 0 40 FCAB O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1)c1cccnc1 20744665 MEDKNFSMZWKCEV-UHFFFAOYSA-N 351.366 0.868 0 40 FCAB O=C(NCC(=O)N1CCC2(CC1)OCCO2)NCc1ccc(F)cc1 24997811 DXFWEOUCUAGAEO-UHFFFAOYSA-N 351.378 0.990 0 40 FCAB O=c1c2ncn(COCCO)c2nc2n1CN(CCc1ccccc1)CN2 32069800 COCGDXRGYSLVHD-UHFFFAOYSA-N 370.413 0.445 0 40 FCAB CC(C)(CNC(=O)CCn1nnc2ccccc2c1=O)N1CCOCC1 32841371 CRZWYJMGARCYRW-UHFFFAOYSA-N 359.430 0.409 0 40 FCAB COc1c2c(c(S(=O)(=O)N3CCOCC3)c3c1OCO3)CCN(C)C2 40309776 TZFGLEHFCVOLFL-UHFFFAOYSA-N 370.427 0.433 0 40 FCAB biogenic CC[C@@H](C)NC(=O)COC(=O)c1ccccc1NC(=O)Cn1cnnn1 58018909 GDKYHXAKNUORLU-LLVKDONJSA-N 360.374 0.383 0 40 FCAB COCCN1CCC[C@H]1CNC(=O)N1CCN(c2cnn(C)c2)CC1 74879452 VRSOOPMDLLWSPW-HNNXBMFYSA-N 350.467 0.363 0 40 FCAB CN1C(=O)NC2(CCN(C(=O)NCc3ccc4c(c3)OCO4)CC2)C1=O 95452830 KFBHAUKFWURKHK-UHFFFAOYSA-N 360.370 0.641 0 40 FCAB CC(C)CN1C[C@@H]2[C@H](C1)c1nc(N3CCOCC3)ncc1CS2(=O)=O 96252051 BXEFUDLBWXAXGT-LSDHHAIUSA-N 366.487 0.665 0 40 FCAB Cn1cc([C@@H]2CN(S(=O)(=O)c3cc(Cl)cnc3N)CCO2)cn1 97020788 SHOFUNCBVQQNKQ-NSHDSACASA-N 357.823 0.813 0 40 FCAB COC[C@@](C)(NCC(=O)/N=c1/cc[nH]n1Cc1cccc(C)c1)C(=O)OC 101909472 TWKICFNNBNJDIF-OSEFQUDUSA-N 374.441 0.768 0 40 FCAB COCCN1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C(=O)Nc3ccc(C)cc31)N1CCC[C@H]21 103517502 CEUYDHYSQVRLSX-NLDJYOPPSA-N 369.421 0.868 0 40 FCAB CC(=O)N[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)OC[C@]1(C)O 257250635 JNJWKKMENLXFJF-RDJZCZTQSA-N 354.447 0.450 0 40 FCAB Cn1nccc1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C(N)=O)C1 257262044 LJUUUGZMTHFUPF-QGZVFWFLSA-N 355.442 0.551 0 40 FCAB CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)CCO 257292208 QKLXFBHEMTVZDM-NCOADZHNSA-N 354.422 0.771 0 40 FCAB Cc1nccnc1CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 294615186 PSQWWHTZERWURG-JKSUJKDBSA-N 358.442 0.885 0 40 FCAB CCc1oncc1C(=O)N1CC2(C1)OCC[C@@H]2COCC(=O)N(C)C 575404857 VRDYQMQQQLGYSU-GFCCVEGCSA-N 351.403 0.573 0 40 FCAB CN1c2cc(F)c(NC(=O)CN3C(=O)CCC3=O)cc2N(C)S1(=O)=O 575612474 MQWMMNGCTZKZSL-UHFFFAOYSA-N 370.362 0.044 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)Cc3ccccc3)C[C@H]21 585110166 RJQAVRFRGVGBCX-GJZGRUSLSA-N 354.410 0.613 0 40 FCAB Cn1cc(N2C[C@@H](C(=O)Nc3cccc4c3CCNC4=O)CC2=O)cn1 627764251 YCLIPIHFQRXSIN-NSHDSACASA-N 353.382 0.698 0 40 FCAB CCn1nc(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)ccc1=O 1251882156 RSKHXUUFJFAXAI-UHFFFAOYSA-N 354.410 0.923 0 40 FCAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)O[C@@H](C)C(N)=O 3307616 REKRCHJVUDYGFE-CMPLNLGQSA-N 354.428 0.964 0 40 FCAB COC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3ccc(OC)cc3)C2=O)C1 5024122 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350.810 0.606 0 40 FCAB COCCN1CCC[C@@H]1CNC(=O)N1CCN(c2cnn(C)c2)CC1 74879454 VRSOOPMDLLWSPW-OAHLLOKOSA-N 350.467 0.363 0 40 FCAB CN(C)CCn1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)n1 75572920 HBUSTRWTZYXMPL-OAHLLOKOSA-N 369.429 0.503 0 40 FCAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCC(N)=O)c2)C1 89920269 YMYLGTQCTQVHJE-RYUDHWBXSA-N 353.444 0.568 0 40 FCAB COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c(Cl)c1 97000630 ALCHVXLROFYBLV-VIFPVBQESA-N 367.832 0.592 0 40 FCAB CN1CC[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 97212237 UAAFHJNCEYIDSP-GFCCVEGCSA-N 359.473 0.110 0 40 FCAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)N[C@H]1CCS(=O)(=O)C1 100217193 QSPNBOAWVUUDLJ-DKYWSHINSA-N 362.407 0.377 0 40 FCAB CCOCC(=O)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 306129947 ISAIDBBUPGEFFQ-ZDUSSCGKSA-N 354.428 0.513 0 40 FCAB Cn1ncc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1C(=O)O 547822025 QFDMMDHUQJIFKD-UHFFFAOYSA-N 353.282 0.678 0 40 FCAB O=C(NC1CC1)[C@@H]1CN(c2ncnc3c2nnn3-c2ccccc2)CCO1 1888914356 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369.337 0.447 0 40 FCAB C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1cccc(S(C)(=O)=O)c1 72270257 XVCCIMKRXQYARS-ZDUSSCGKSA-N 354.476 0.848 0 40 FCAB CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Cn1ncc2ccccc21 79094047 GGNWFNCDQSEXGP-JSGCOSHPSA-N 350.444 0.870 0 40 FCAB CS(=O)(=O)CC(=O)N1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96107620 GFBKWUXGHCAILV-HOCLYGCPSA-N 354.428 0.403 0 40 FCAB CN1C[C@H]2C3(CCN(S(=O)(=O)C4CC4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96262429 QIWOLOXATDGJLS-MAUKXSAKSA-N 369.531 0.991 0 40 FCAB CCN(CC(=O)NCCSc1ncn[nH]1)S(=O)(=O)c1ccccc1 226053729 NCDKMNXKLUGVRT-UHFFFAOYSA-N 369.472 0.724 0 40 FCAB C[C@@]1(NCCNS(=O)(=O)c2ccc(F)cc2)CCS(=O)(=O)C1 575421457 INYLDNYZVLMXFM-CYBMUJFWSA-N 350.437 0.271 0 40 FCAB CN1CCS(=O)(=O)C[C@H]1CC(=O)Nc1nc2cc(F)ccc2n1C 644373805 BTDOGOWVZOFSDB-LLVKDONJSA-N 354.407 0.770 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2CCc3ccccc3C2)CCO1 653279677 ZTUMFNPLSJQMFC-ROUUACIJSA-N 374.437 0.952 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(OCC(=O)O)c1 675959551 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Cc1sc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1 6679841 CECYNFWRYDGAQI-GFCCVEGCSA-N 374.484 0.986 0 40 FCAB O=C(NC1CC1)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 8764532 IZUCBLHPUADLCC-AMVTXUCVSA-N 354.362 0.980 0 40 FCAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NC[C@H]2CCCO2)n1 9037697 KCUCHEQFJGVNQE-GFCCVEGCSA-N 374.401 0.060 0 40 FCAB O=C(c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)N1CCCC1 12029247 UZSXFMDLFNVDCV-AWEZNQCLSA-N 357.453 0.883 0 40 FCAB C[C@H]1CN(Cn2nc(C[C@@H]3CCS(=O)(=O)C3)n(C)c2=S)CCO1 14139340 LDPKYTWRCPVFML-RYUDHWBXSA-N 360.505 0.606 0 40 FCAB COCC(=O)N1CC[C@H](c2ccnc3c(CN4CCOCC4)c(C)nn23)C1 19707743 LFLVDKWFLAIIBD-HNNXBMFYSA-N 373.457 0.832 0 40 FCAB NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 22229482 RFXQKZSWSLJVOF-UHFFFAOYSA-N 353.444 0.442 0 40 FCAB C[C@H]1CN(CC(=O)NCc2ccccc2S(=O)(=O)N(C)C)C[C@@H](C)O1 25411760 MIADVLPAXFWSMX-OKILXGFUSA-N 369.487 0.662 0 40 FCAB Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3cc(C)on3)CC2)n1 49025925 WBHCTZJLFQYJBB-UHFFFAOYSA-N 372.429 0.880 0 40 FCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCOC1 58183692 RORQLNUOUIKJAV-GFCCVEGCSA-N 370.427 0.691 0 40 FCAB O=C([C@H]1CSCN1S(=O)(=O)c1cccnc1)N1CCSCC1 58201454 INYUHWPQVXTPGE-GFCCVEGCSA-N 359.498 0.721 0 40 FCAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)N[C@H]1CCS(=O)(=O)C1 79478672 BKELTVWCRHJPKF-GXFFZTMASA-N 365.411 0.470 0 40 FCAB CS(=O)(=O)CC(=O)N1CCC2(CC1)C[C@@H](Oc1ccccn1)CO2 96107015 LKMKNQJFDAHBET-CYBMUJFWSA-N 354.428 0.655 0 40 FCAB CS(=O)(=O)NCc1cc(=O)n2c(n1)CN(Cc1ccco1)CCC2 96197616 MNQLHYCROFRUQD-UHFFFAOYSA-N 352.416 0.291 0 40 FCAB CS(=O)(=O)N1CC[C@]2(CCC[C@@H](CNC(=O)c3cnccn3)O2)C1 96206064 LKLGJKRWLSJLJJ-SWLSCSKDSA-N 354.432 0.180 0 40 FCAB CN1CCN([C@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)CC[C@@H]2O)CC1 257224426 FBTUOWIHPSXRPG-ROUUACIJSA-N 357.458 0.776 0 40 FCAB CC(C)NC(=O)COc1ccc(/C=c2/sc3n(c2=O)CCCN=3)cc1 408834509 ULTALTOWXKXJES-XNTDXEJSSA-N 359.451 0.665 0 40 FCAB O=C(O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 562406034 IFWDJUICHHGPJK-HUUCEWRRSA-N 366.439 0.949 0 40 FCAB Cn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3ccnn3C)C2)cn1 585111938 DWVKYUJEGFNPJV-HNNXBMFYSA-N 368.445 0.727 0 40 FCAB CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2CC2)CC3)C1=O 1142677398 URYODSJKFWHYTN-KRWDZBQOSA-N 369.487 0.129 0 40 FCAB COCCNC(=O)c1cnc2n1[C@H](CNC(=O)c1csc(C)n1)CC2 1614933187 HUQKJPFBZZJJJJ-NSHDSACASA-N 363.443 0.942 0 40 FCAB CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1CN(c2ccccn2)C1 1888856771 DRQMHQYKZHMYJW-UHFFFAOYSA-N 352.460 0.400 0 40 FCAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O 8546528 MGGIYHLAOOBUCM-HNNXBMFYSA-N 362.367 0.846 0 40 FCAB O=C(O)[C@@](O)(C(=O)c1ccccc1)[C@](O)(C(=O)O)C(=O)c1ccccc1 21298260 OCQAXYHNMWVLRH-HDICACEKSA-N 358.302 0.384 0 40 FCAB NS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n3ccccc3n2)cc1 15754700 NYTJCRMPBHAIMY-UHFFFAOYSA-N 359.363 0.699 0 40 FCAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)/C=C/c2cnn(C)c2)CC1 29362155 BEWKBYGURXLVJW-MOEXGYKKSA-N 359.474 0.979 0 40 FCAB COc1cccc(OC)c1C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1 22681556 UZYGXCLIODBYCY-GFCCVEGCSA-N 364.398 0.940 0 40 FCAB Cc1cc(NC(=O)CCN2CCN(c3ncnc4c3cnn4C)CC2)no1 24245264 HELJSUGCXLATNS-UHFFFAOYSA-N 370.417 0.811 0 40 FCAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(c2cnccn2)CC1 26662838 LSNUKYYDUFQUEO-INIZCTEOSA-N 366.425 0.719 0 40 FCAB COCc1cccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 58305424 BRACJMBPZGRJTM-INIZCTEOSA-N 361.442 0.952 0 40 FCAB CCN(CC(=O)NCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430904 IBGIXODLVCLPHR-UHFFFAOYSA-N 373.457 0.766 0 40 FCAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H](O)c1ccc(F)c(F)c1 58421697 IPBCGRMBDRYYHW-KBPBESRZSA-N 362.398 0.929 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@H](C)OC 48332731 WYXATQIHJDNAJY-LBPRGKRZSA-N 371.459 0.605 0 40 FCAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1cccnc1 39996867 MLWSQGNKEOGITL-GFCCVEGCSA-N 364.427 0.922 0 40 FCAB CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1C 8227884 LIXVVFFUJKRLAR-CYBMUJFWSA-N 363.439 0.763 0 40 FCAB CS(=O)(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 89882582 FRIZXEPIKMSNLZ-INIZCTEOSA-N 351.472 0.755 0 40 FCAB NC(=O)c1ccccc1NC(=O)CCN1CCN(c2ncccn2)CC1 25912671 JWEBEEFWRUKBPI-UHFFFAOYSA-N 354.414 0.726 0 40 FCAB Cc1cccc(NC(=O)CN2CCN(CC(=O)N3CCNC3=O)CC2)c1C 95357408 UPSCTSVZEXOXIC-UHFFFAOYSA-N 373.457 0.411 0 40 FCAB CCn1c(=O)n(CC(=O)N2CCC[C@@H](S(C)(=O)=O)C2)c2ccccc21 95943064 GUZFOKAISNMVNU-CYBMUJFWSA-N 365.455 0.859 0 40 FCAB CN(C)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C3OCCO3)O2)cc1 409301120 ZRRYFYDWDOVLDH-NXEZDXNNSA-N 356.378 0.939 0 40 FCAB O=C(c1ccc(Cl)cc1)N(CCOCCO)[C@@H]1CCS(=O)(=O)C1 217372573 NQBYPJJGJZJYPP-CQSZACIVSA-N 361.847 0.978 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(Cc3cccnc3OC)C[C@@H]21 306140293 UPABOSOATSDCAJ-TZMCWYRMSA-N 357.414 0.448 0 40 FCAB O=C1CC[C@@H]2[C@@H](CCN2CC2CCOCC2)N1CCN1CCOCC1 96056569 FNXCYWQUGGXRJK-QZTJIDSGSA-N 351.491 0.811 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H](c2ccccc2)n2cnnn2)cc1 95472847 IOAYXOKELFGQOP-OAHLLOKOSA-N 372.410 0.226 0 40 FCAB CCc1ccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 242871994 GHZSQNLKPNAGPL-UHFFFAOYSA-N 369.487 0.463 0 40 FCAB Cc1nc(C(=O)N2Cc3ccnn3C[C@@H](CNS(C)(=O)=O)C2)cs1 248055991 UGAWKKQAHXBQDT-NSHDSACASA-N 369.472 0.469 0 40 FCAB C[C@@]1(O)CCN(C(=O)c2cscn2)C[C@H]1n1cnc2c(N)ncnc21 257265412 LYNZTIQFQWFEKL-MEBBXXQBSA-N 359.415 0.703 0 40 FCAB CN(C[C@@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)/C=C/C(=O)O 257269175 MOWKISDWKWLRGV-WRFKIARRSA-N 356.382 0.670 0 40 FCAB Cn1cc(O[C@@H]2CN(CC(=O)N3CCCc4ccccc43)C[C@H]2O)cn1 625622344 JCFRNKBMBUCBLL-QZTJIDSGSA-N 356.426 0.823 0 40 FCAB Cn1cccc1C(=O)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@H]2C1 1549162305 PCRJAOVAEDKHAG-CQSZACIVSA-N 358.398 0.293 0 40 FCAB CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](NC(C)=O)[C@H]1OC(C)=O 5125094 FJEJQSQCOOUCJJ-YLALRLGGSA-N 365.382 0.908 0 40 FCAB NC(=O)NC(=O)c1ccsc1NC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 17073149 DVGHNGLKXOBWHA-KZVJFYERSA-N 353.356 0.373 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cn2ncc3ccccc32)CCO1 681943334 LMJGLAIEQQJQNO-OAHLLOKOSA-N 374.397 0.197 0 40 FCAB CCN(C(=O)COC(=O)c1cccnc1SC)[C@H]1CCS(=O)(=O)C1 4164123 ZOVVGVIGTQXODJ-NSHDSACASA-N 372.468 0.996 0 40 FCAB O=C(CCc1cncnc1)N1CCOC[C@]2(C1)CN(CC1CC1)C(=O)CO2 1614936151 YVCFPIRPLOULOA-IBGZPJMESA-N 374.441 0.276 0 40 FCAB O=C(c1cc[nH]n1)N1CC[C@H]2C(=O)N(Cc3ccncc3)CCO[C@H]2C1 1565549944 KNEHWEHOVGSXHN-ZBFHGGJFSA-N 355.398 0.694 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(CCN(CCN3CCCC3)C2=O)C1 1565546795 AKFHGWOVRGWVED-NHAYFPRASA-N 361.486 0.816 0 40 FCAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(C(=O)CC3CC3)CC2)[nH]1 2055704345 QOLOZCDQZFNBRT-UHFFFAOYSA-N 356.430 0.795 0 40 FCAB COCCn1nc([C@H]2CCCN(S(=O)(=O)C(C)C)C2)n(C2CC2)c1=O 585233900 SNZYDFSRZBUCDL-ZDUSSCGKSA-N 372.491 0.944 0 40 FCAB Cn1c(=O)c2c(nc(-n3ccnc3)n2Cc2ccc(F)cc2)n(C)c1=O 780279 ONTAKZIDHBWTOQ-UHFFFAOYSA-N 354.345 0.807 0 40 FCAB biogenic O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 922561 QETWPTJKVPOPLN-ZDUSSCGKSA-N 374.484 0.928 0 40 FCAB NC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1 3313820 YGWQSZIRMIWISB-UHFFFAOYSA-N 357.413 0.426 0 40 FCAB Nc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1 3407371 ZPKSASKOOWGXOQ-UHFFFAOYSA-N 356.433 0.498 0 40 FCAB CCNC(=O)NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O 5797896 YBKFHIZKPWLDTG-KRWDZBQOSA-N 362.386 0.698 0 40 FCAB CCOC(=O)C1=C[C@](C)(C(=O)OCC)Nc2c(nc(OC)n(C)c2=O)N1 5828687 JPPFYLGPGPSPKH-MRXNPFEDSA-N 366.374 0.395 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 7112039 HSNNQRYPLBEENA-GFCCVEGCSA-N 350.396 0.773 0 40 FCAB CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)CCSC)CC1)C(=O)O 12875748 OJIRHANHUPWVSD-UBHSHLNASA-N 373.519 0.921 0 40 FCAB biogenic COCC(=O)Nc1ccccc1C1=NNC(=O)[C@H]2[C@@H](C(=O)N(C)C)[C@@]12C 19576501 NHVFUYSFMPEZKS-GLJUWKHASA-N 358.398 0.446 0 40 FCAB Cc1ccc(NC(=O)C2=NNC(=O)CC2)cc1S(=O)(=O)N1CCCC1 19661876 PZFHWQOIIHVMLF-UHFFFAOYSA-N 364.427 0.984 0 40 FCAB CN(C)CC[C@H](NC(=O)c1cccn(CC(N)=O)c1=O)c1ccccc1 19750181 BBYHINIZFOYVDB-INIZCTEOSA-N 356.426 0.756 0 40 FCAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(=O)n(C)c(=O)n3C)c12 27985059 ZQADOBFJXQLLJA-UHFFFAOYSA-N 368.397 0.804 0 40 FCAB COC(=O)c1sc(NC(=O)c2nccnc2C(=O)O)c(C(N)=O)c1C 32103056 ZKGBMKRGGQFJTH-UHFFFAOYSA-N 364.339 0.683 0 40 FCAB Cc1csc2nc(CN3CCCC[C@@H]3CNS(C)(=O)=O)cc(=O)n12 40072424 IRJVJIGZWNBIBI-CYBMUJFWSA-N 370.500 0.968 0 40 FCAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCCCN3CCOCC3)cc2)o1 44890586 VLKWBDZFYIFKLS-UHFFFAOYSA-N 373.413 0.822 0 40 FCAB CN(C)S(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccccc1F 44904657 KRCABVBJOKVPTI-LBPRGKRZSA-N 359.423 0.734 0 40 FCAB COc1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 95999059 AGUVCDCSMHWQGG-CYBMUJFWSA-N 369.443 0.357 0 40 FCAB Cc1noc(C)c1CN1C[C@H]2OCCN(S(=O)(=O)C3CC3)C[C@H]2C1 96108048 FZUJNVZQGJNXPM-CZUORRHYSA-N 355.460 0.916 0 40 FCAB CCN1C[C@@]23CN(C(=O)c4ccc(OC)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146036 YJMMWRDAPDDACV-VYDXJSESSA-N 366.439 0.713 0 40 FCAB COCC(=O)N1C[C@@H]2[C@H](C1)c1nc(NCC3CC3)ncc1CS2(=O)=O 96251939 AEDWRZQPTQNSQC-QWHCGFSZSA-N 366.443 0.168 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCSc1ncn[nH]1)Cc1ccccc1 226034724 SDGJYWUBUVGPOS-UHFFFAOYSA-N 369.472 0.475 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccn(C)n1)CC2 248100783 DTQIAKPEZXRZAR-ZDUSSCGKSA-N 370.475 0.180 0 40 FCAB CC(=O)N1CC2(CCN(C(=O)C3CCN(C)CC3)CC2)C[C@]1(C)CO 257224932 FEAJISIACAKYMI-GOSISDBHSA-N 351.491 0.940 0 40 FCAB CC(=O)N1CCN(C(=O)CCc2cn(C)c3ccccc23)C[C@H]1C(N)=O 257240937 HVUJHVYMLJMENI-KRWDZBQOSA-N 356.426 0.656 0 40 FCAB CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)CNC(C)=O)CC1 257314505 UXGVFGQOFZXZQH-IBGZPJMESA-N 362.474 0.783 0 40 FCAB O=C(Cn1ncccc1=O)N1CCC(n2nnc3ccsc3c2=O)CC1 390828966 CLOUYCSKPRQBCQ-UHFFFAOYSA-N 372.410 0.273 0 40 FCAB C/C(=C\c1ccc(F)cc1)C(=O)NS(=O)(=O)CC[C@H]1NC(=O)NC1=O 585086531 DBTWPQCXIHLOSO-IDVQTMNDSA-N 369.374 0.273 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3O[C@@H](C(=O)NCc4cccnc4)CC[C@H]32)n1 585108755 WFWPXQJIPKFPIE-RBSFLKMASA-N 370.413 0.289 0 40 FCAB O=C(CN1CCO[C@@](CO)(Cc2ccccc2F)C1)N1CCOCC1 585279431 ZCPGVQRDZIYSTM-SFHVURJKSA-N 352.406 0.290 0 40 FCAB O=C(CC1(O)CCC1)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCOCC2)C1 1565549051 OBTZLNPLTZVQBR-RDTXWAMCSA-N 352.431 0.158 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cn[nH]c5)C[C@@H]4C3)nn12 1888904420 YHFJOJIVIRCXKS-STQMWFEESA-N 352.402 0.618 0 40 FCAB COc1cccc(O[C@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)c1 4559903 KKDNZDNZSHFBCX-NRKLIOEPSA-N 367.398 0.816 0 40 FCAB Cc1ccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)n2N)cc1 4854799 WZEFLJYRPFPFER-UHFFFAOYSA-N 363.399 0.409 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3cccc(OC)c3)C2=O)C1 5091839 YTCWTQAPJJOCCC-SFHVURJKSA-N 373.365 0.869 0 40 FCAB CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 5455235 BWMFRQKICHXLSH-COKVUMADSA-N 370.486 0.168 0 40 FCAB O=C1NC[C@@]2(CCCN(C(=O)CCn3cnnn3)C2)Oc2ccccc21 12086751 FLTUQJOOJACZRW-QGZVFWFLSA-N 356.386 0.247 0 40 FCAB COCCCNC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 13582529 GEXSNTHURKTTRC-UHFFFAOYSA-N 360.432 0.866 0 40 FCAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CC2)c1 14247156 VXFDFDAKPKONHF-UHFFFAOYSA-N 353.444 0.726 0 40 FCAB Cc1cc(=O)oc2cc(OCC(=O)NC3CCN(CC(N)=O)CC3)ccc12 14255219 LXOYDEUUEQHECX-UHFFFAOYSA-N 373.409 0.546 0 40 FCAB CCC(=O)Nc1ccc(S(=O)(=O)NCCCn2ncccc2=O)cc1 23137507 IPTHJIQUAGKBMW-UHFFFAOYSA-N 364.427 0.960 0 40 FCAB COCCCNC(=O)CN1CCN(Cc2cc(C)c(C(=O)OC)o2)CC1 25929648 VZKKXWHSAMLXHA-UHFFFAOYSA-N 367.446 0.645 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1CCN(c2ccc(Cl)nn2)CC1 30805364 ZZCZYDYHVYSCTJ-LLVKDONJSA-N 358.851 0.650 0 40 FCAB COC(=O)C[C@H](NC(=O)N1CCO[C@H](c2ccccc2)C1)C(=O)OC 32092873 XCUMBZKLBHYUDQ-KBPBESRZSA-N 350.371 0.874 0 40 FCAB CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2ncccn2)CC1 35741583 AUWPYVYMZHCFPR-UHFFFAOYSA-N 351.476 0.628 0 40 FCAB O=S(=O)(NCc1cccnc1-n1cncn1)c1ccc2c(c1)OCCO2 40105122 XBWBDUIRTUHVSH-UHFFFAOYSA-N 373.394 0.912 0 40 FCAB CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccccc2CN2C(=O)CNC2=O)C1 58172940 JXBJWMHKXZBWNL-AWEZNQCLSA-N 372.425 0.679 0 40 FCAB CCc1ccc(O)c(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 58312415 KYHLRYPJMARFSR-UHFFFAOYSA-N 359.426 0.861 0 40 FCAB Cc1ccc(NC(=O)CNC(=O)N2CCN(c3ncccn3)CC2)nc1 72400839 WXSTYVLKYOBMGR-UHFFFAOYSA-N 355.402 0.650 0 40 FCAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cc(=O)n(C)c(=O)n3C)C2)nc1 80927376 IMCMHZATWPYISP-CQSZACIVSA-N 371.441 0.638 0 40 FCAB O=S1(=O)CC[C@H](N2CCN(C[C@@H](O)COc3ccccc3)CC2)C1 84556793 LZSCSVANTANSIZ-JKSUJKDBSA-N 354.472 0.231 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)c2cscn2)Cc2ccnn2C1 247526518 NIKLMGGTVBBCPL-JTQLQIEISA-N 355.445 0.161 0 40 FCAB O=C(NC[C@]1(O)CN(Cc2ccc(F)cc2)C[C@H]1O)c1cscn1 257327158 XAFZBBWROOFHMZ-ZBFHGGJFSA-N 351.403 0.620 0 40 FCAB CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 298206270 NBUOMJXJRUSBKG-CYBMUJFWSA-N 355.460 0.526 0 40 FCAB O=C(C1CC(F)C1)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 306126918 FJDRTSRCFLTAPT-CPCZMJQVSA-N 369.418 0.619 0 40 FCAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C)CC2)cc1C 408616555 AGSJJYOAHZSRKX-AWEZNQCLSA-N 369.487 0.835 0 40 FCAB O=C(C1CC(F)C1)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1 585113145 MPBFCYLTDIIFPI-RUXDESIVSA-N 350.394 0.961 0 40 FCAB CNC(=O)C[C@]1(COC)CN(C(=O)c2cccc(COC)c2)CCO1 585278144 LYSIYCZTXVLNAY-GOSISDBHSA-N 350.415 0.827 0 40 FCAB Cn1cc(C2=CCCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)cn1 636163197 CILWQAXBRUOGJG-HNNXBMFYSA-N 352.460 0.850 0 40 FCAB COCCN1C(=O)CN(C2CCN(C(=O)c3ccncc3F)CC2)C1=O 824411961 PYSVQQHDPBBFPW-UHFFFAOYSA-N 364.377 0.736 0 40 FCAB Cn1cnc(C(=O)N2CC[C@@]3(CCN3S(=O)(=O)c3cccs3)C2)n1 1565553645 GSYZXXSLKZRQAB-CQSZACIVSA-N 367.456 0.556 0 40 FCAB COC1(CC(=O)N2CCOC[C@]3(C2)CN(CC2CC2)C(=O)CO3)CCC1 1614929511 BMALJXCYHAAORH-IBGZPJMESA-N 366.458 0.812 0 40 FCAB Cc1ccccc1C[C@]1(CO)CN(CC(=O)Nc2nonc2C)CCO1 1615082674 IBQCRSLLQDOMFC-GOSISDBHSA-N 360.414 0.931 0 40 FCAB CCCn1c(SCCC(=O)OCC)nc2c1c(=O)n(C)c(=O)n2C 896439 PJBPLIYUCBWBTB-UHFFFAOYSA-N 354.432 0.889 0 40 FCAB COc1ccc(NC(=O)Cn2cnc3c(cnn3CCO)c2=O)cc1OC 4940506 HHWPQQAYSMNEQJ-UHFFFAOYSA-N 373.369 0.241 0 40 FCAB O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)NC2(CCCCC2)C1=O 7758241 LSFPTPMNNYMTIR-UHFFFAOYSA-N 370.365 0.569 0 40 FCAB COCCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCOC[C@@H]32)C1=O 8995132 WKTVPZHONVQPSW-BEFAXECRSA-N 373.409 0.549 0 40 FCAB CN1C(=O)NC2(CCN(Cc3cnc(N4CCOCC4)s3)CC2)C1=O 19715688 ZMXJNFUDGQKAIY-UHFFFAOYSA-N 365.459 0.496 0 40 FCAB CCO[C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 40154517 QGJAINIFJSXZFS-AWEZNQCLSA-N 370.475 0.075 0 40 FCAB COCc1nnc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3)s1 40268273 LXQLPDFMDQUYNF-INIZCTEOSA-N 373.394 0.890 0 40 FCAB O=c1n(Cc2ccccc2)nc2ccc(S(=O)(=O)N3CCOCC3)cn12 49408084 MMIHKLFDWNXMRK-UHFFFAOYSA-N 374.422 0.565 0 40 FCAB CCS(=O)(=O)N1CCN(C(=O)COCCOc2ccccc2)CC1 52051056 ZGZMHEPXNMOLDK-UHFFFAOYSA-N 356.444 0.576 0 40 FCAB Cc1ccc(C)n1CCN1CCN(S(=O)(=O)c2cnn(C)c2)CC1 55973442 ZBZISRQDNCXYRX-UHFFFAOYSA-N 351.476 0.845 0 40 FCAB COC(=O)c1ccc(NCC(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c1 58159637 LITUVRJMQFPFMK-UHFFFAOYSA-N 369.443 0.297 0 40 FCAB NS(=O)(=O)c1cnn(CCC(=O)NCCSCc2ccccc2)c1 58248840 JQICMHNUKDAIKE-UHFFFAOYSA-N 368.484 0.970 0 40 FCAB Cc1cc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)n([C@H]2CCS(=O)(=O)C2)n1 71285173 RRWHGQOEOMMRNL-ZMLRMANQSA-N 355.416 0.846 0 40 FCAB Cn1ncc(C(=O)Nc2cnn(CCN3CCOCC3)c2)c1-n1cccc1 72254943 LECVDXFHWUMELQ-UHFFFAOYSA-N 369.429 0.992 0 40 FCAB CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)CC(C)(C)C)[C@H]2O)CC1 77263853 HGYNXQZVEXMWJV-INMHGKMJSA-N 355.479 0.268 0 40 FCAB biogenic,in-vitro O=C(N[C@@H]1CCSC1=O)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96123990 MVUDFLSAKKHRAT-NWDGAFQWSA-N 373.442 0.422 0 40 FCAB O=S(=O)(NCC[C@H]1CN(C2CCOCC2)Cc2ccnn21)C1CC1 247359303 YYECLPXFDYFWBO-HNNXBMFYSA-N 354.476 0.891 0 40 FCAB C[C@H]1Cc2cc(S(=O)(=O)NCCN3C[C@@H](C(=O)O)CC3=O)ccc2O1 274953777 IFPOOZLFPXWSNO-JQWIXIFHSA-N 368.411 0.221 0 40 FCAB Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 281642659 RDFSUOLSLOWTRK-OALUTQOASA-N 374.441 0.415 0 40 FCAB COc1ccc(C(=O)CNCCN[C@]2(C)CCS(=O)(=O)C2)cc1OC 575420860 FEMHRCDPWJWLEB-QGZVFWFLSA-N 370.471 0.643 0 40 FCAB O=C(N1CCCC1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 585102726 BYNMWNSAIDGKLT-CYBMUJFWSA-N 366.443 0.560 0 40 FCAB CC(=O)N1CCOC[C@](O)(CC(=O)N(CCO)Cc2ccccc2)C1 585280842 PUQRWEMFKYXTBG-SFHVURJKSA-N 350.415 0.007 0 40 FCAB Cc1cc(C)n(-c2ccc(N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)nn2)n1 624422479 VQWNVCWRMJBKGG-HUUCEWRRSA-N 355.402 0.641 0 40 FCAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)[C@H]1CCCc2nn[nH]c21 1118947112 OBOVQDJXSORHAB-MNOVXSKESA-N 353.390 0.057 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)c2ncnc3c2CCCC3)cc1 1888859895 JHUWAOBGKFHSEN-UHFFFAOYSA-N 360.439 0.975 0 40 FCAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(O)c(OC)c1 3903532 JNDOIVKCAMWRMW-LUXYFRNMSA-N 366.366 0.787 0 40 FCAB CCN(C(=O)Cn1nnc(-c2cccs2)n1)[C@@H]1CCS(=O)(=O)C1 6589694 KSZIGYBECRMEBL-SNVBAGLBSA-N 355.445 0.437 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)c2cc3ccccc3[nH]2)c(=O)n(C)c1=O 11228497 FIYIASTWARENBZ-UHFFFAOYSA-N 356.338 0.187 0 40 FCAB COCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 12310313 FLLPWUBUPJRROK-UHFFFAOYSA-N 371.376 0.645 0 40 FCAB Cc1cc(O)c2c(C)c(CC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)oc2c1 13628860 DWRVSRGAWLVKIO-NSHDSACASA-N 365.407 0.961 0 40 FCAB Cn1c(=O)c(=O)n(C)c2cc(NC(=O)CN3CCOCC3)c(Cl)cc21 25952779 FNIWZPBZSFQHNZ-UHFFFAOYSA-N 366.805 0.161 0 40 FCAB C[C@@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)NC1CC1 32841061 HWMHLSXSVUTSOR-LLVKDONJSA-N 354.428 0.602 0 40 FCAB O=C(CN1CCc2ccccc2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 35355225 GKOOGGRXJAMOCV-AWEZNQCLSA-N 351.428 0.058 0 40 FCAB CCC(=O)N[C@H]1CCCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1 58313818 GFAKZBRZTXYRNP-ZDUSSCGKSA-N 372.425 0.597 0 40 FCAB Cc1cc(NC(=O)[C@H](C)NS(C)(=O)=O)ccc1N1CCN(C)CC1 67844670 NBQPVDXOYMDYGA-ZDUSSCGKSA-N 354.476 0.623 0 40 FCAB C[C@H](C(=O)N(C)CC(=O)N[C@@H](CC(N)=O)C1CCCCC1)n1cccn1 72310454 BMMAMIMJSQLYPS-HIFRSBDPSA-N 363.462 0.843 0 40 FCAB Cc1nc2ccccc2c(=O)n1CC(=O)N1CCN(C(=O)C2CC2)CC1 79134828 CGUJNLJYZUFVMA-UHFFFAOYSA-N 354.410 0.786 0 40 FCAB Cc1nn(C)cc1CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 96008979 JAPJWSNBGIGEIL-UHFFFAOYSA-N 372.472 0.457 0 40 FCAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)COC)CC2)O1 96036901 CYLCUAGWKXQVBB-AWEZNQCLSA-N 364.446 0.614 0 40 FCAB CN(CC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1)S(C)(=O)=O 220752386 ZIGLMIPITIFMJZ-NSHDSACASA-N 356.448 0.620 0 40 FCAB C[C@H]1O[C@@H](c2ccc(F)cc2)C[C@@](O)(CNS(=O)(=O)N(C)C)[C@@H]1O 257273981 NJAXBCWVGPFPFF-JUDXGUMMSA-N 362.423 0.164 0 40 FCAB CN(C(=O)c1cccc(OCCN)c1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257279100 OFAGWONBXIKDJY-KZNAEPCWSA-N 363.458 0.320 0 40 FCAB O=C(CCC(=O)N1CCN(Cc2cccc(O)c2)CC1)N1CCOCC1 265673916 FGXAYGJMSNJLTG-UHFFFAOYSA-N 361.442 0.675 0 40 FCAB CCCc1noc(CN2CCO[C@H](CN(C)c3nccn(C)c3=O)C2)n1 511062037 JQHUIOMLFNSLMD-CYBMUJFWSA-N 362.434 0.453 0 40 FCAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(C(=O)COC)CC[C@@]1(C)O 514289820 HYUJJKLFJJQQIF-HRCADAONSA-N 356.444 0.550 0 40 FCAB biogenic,in-vitro C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CN(C)[C@H](C(=O)NC1CC(F)(F)C1)CO2 575404305 LIMUULUGNPOFCF-RTXFEEFZSA-N 357.401 0.468 0 40 FCAB Cc1nn(C)c(C)c1C(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 575615763 JNIXZKDNKYMVLA-UHFFFAOYSA-N 357.480 0.285 0 40 FCAB Cn1cc(N2CC[C@]3(CCCN(C(=O)Cc4ccn(C)n4)C3)C2=O)cn1 585100947 KPRHUKQARDJWJV-SFHVURJKSA-N 356.430 0.742 0 40 FCAB COC[C@@H]1CC2(CCN(C(=O)c3ccnn3C)CC2)CN1S(C)(=O)=O 585103357 CHJRGJQQDJZMIF-ZDUSSCGKSA-N 370.475 0.323 0 40 FCAB O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CC(O)(CO)C1 615419080 IZRFQTNYXCLLFE-UHFFFAOYSA-N 359.348 0.882 0 40 FCAB COC[C@@]1(C(N)=O)CCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 643703196 NBVKGDYPLJXFEG-MRXNPFEDSA-N 355.460 0.403 0 40 FCAB O=C(CN1CCOCC1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615154646 GISRBYPMUCOHBG-FQEVSTJZSA-N 373.453 0.743 0 40 FCAB O=C(c1cnc(O)nc1O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888844635 SENIMGANSYDEHU-UHFFFAOYSA-N 370.291 0.659 0 40 FCAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(c3ncccn3)CC2)[nH]1 2055746157 RYVQEGUXDLTOMY-UHFFFAOYSA-N 355.446 0.706 0 40 FCAB CC(C)C[C@@H](NC(N)=O)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3354062 AGSIZGHWOIEEFQ-GFCCVEGCSA-N 365.386 0.658 0 40 FCAB Cc1ccc(C(=O)Nc2nc[nH]n2)cc1S(=O)(=O)N1CCOCC1 6405599 HSEQIUPVPCNHDW-UHFFFAOYSA-N 351.388 0.386 0 40 FCAB CN(C)CCCNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 6662056 CBYOUTINYBEMRV-UHFFFAOYSA-N 352.460 0.732 0 40 FCAB NC(=O)Cc1csc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1 12995735 JTFBTEWTSZGJRF-UHFFFAOYSA-N 360.317 0.990 0 40 FCAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c1 13136046 PNAJMKPNQYHKFZ-TXEJJXNPSA-N 370.427 0.387 0 40 FCAB O=c1n(CN2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccn12 14159365 QPLNGZAZTCYDPF-UHFFFAOYSA-N 373.438 0.460 0 40 FCAB O=C(NCc1cccnc1)C(=O)NC[C@@H](c1ccco1)N1CCOCC1 22769454 IBDCBLVKEVDOOG-HNNXBMFYSA-N 358.398 0.481 0 40 FCAB O=C1CN(c2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cn2)CCN1 27260276 ZTOCLXDYAFBSGS-UHFFFAOYSA-N 364.369 0.246 0 40 FCAB CC[C@@H](C)NC(=O)CN1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 29890529 QGKBRHGOYIVQCM-OAHLLOKOSA-N 364.490 0.796 0 40 FCAB COc1ncccc1NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 49058611 BXNMFSAFGABFRK-MNOVXSKESA-N 353.400 0.064 0 40 FCAB Cn1cc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)cc1C(N)=O 58145872 NPBHUIZKAWADDS-UHFFFAOYSA-N 354.363 0.180 0 40 FCAB COc1ccc(C)cc1NC(=O)CNC(=O)Cn1nc2c(cc1=O)CCC2 58202082 GHWNFJBXDVGACE-UHFFFAOYSA-N 370.409 0.804 0 40 FCAB Cn1c(=O)c2ccccc2n2c(Cn3cc(Cl)c(=O)[nH]c3=O)nnc12 72307071 OMJGXUWQLLANNB-UHFFFAOYSA-N 358.745 0.133 0 40 FCAB O=S(=O)(NCC1(CO)CC1)c1ccc(N2CCCCS2(=O)=O)cc1 77200958 PIWZRTGOSCWPBN-UHFFFAOYSA-N 374.484 0.667 0 40 FCAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 95950870 HDQUREVYHNFOTA-UHFFFAOYSA-N 369.380 0.569 0 40 FCAB CCS(=O)(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CCOC 96143071 QBZWYEMEYYXEIH-HNNXBMFYSA-N 374.484 0.588 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2n[nH]c3c2COc2ccccc2-3)CC1 96230918 ASROYTVUPWHIPE-UHFFFAOYSA-N 362.411 0.687 0 40 FCAB O=C(NC[C@H]1CCCO1)[C@H]1Cn2ccnc2C2(CCN(CCF)CC2)O1 96243792 INIQTQCYALCPAU-HUUCEWRRSA-N 366.437 0.838 0 40 FCAB CS(=O)(=O)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96261848 YAANJTMPJPLSPL-OAHLLOKOSA-N 356.469 0.962 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)c2ccnnc2)C[C@@]2(CC(=O)N(C)C2)C1 97952756 ISDRPFFCZNCECG-GOSISDBHSA-N 359.430 0.266 0 40 FCAB CC(C)NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1 223185190 WGPAAYYWCXTMBS-HNNXBMFYSA-N 356.430 0.968 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)Cc3ccsc3)C2)CN1CC1CC1 247915887 BIUQZVNDGMDRAT-OAHLLOKOSA-N 363.483 0.728 0 40 FCAB CNc1nccnc1C[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 257245960 IRVZRALVTSDXSD-ZDUSSCGKSA-N 355.464 0.350 0 40 FCAB CNc1cnc(C[C@H]2CCCN(C(=O)CNS(C)(=O)=O)CC2)cn1 257313500 USVAHGYEWXAYGV-LBPRGKRZSA-N 355.464 0.239 0 40 FCAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccn(CCOC)n1)C2 306134208 NFTGUYWJBACDQC-CYBMUJFWSA-N 371.459 0.195 0 40 FCAB Cn1cnc(S(=O)(=O)N2Cc3ccnn3C[C@H](OCC3CC3)C2)c1 306144311 ZCCLPFKLXPAPRH-CQSZACIVSA-N 351.432 0.616 0 40 FCAB O=C(Nc1nncs1)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408926860 ZPWRJDBATHETOX-UHFFFAOYSA-N 352.335 1.381 0 40 FCAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cccc3nc(O)[nH]c23)CC1 557492071 XWSODKYADMHYBW-GFCCVEGCSA-N 359.430 0.941 0 40 FCAB Cn1nnc2c1[C@@H](COCCN1CCCC1)CN(C(=O)C1(F)CC1)C2 585110889 UYFKASVQXYLCAY-CYBMUJFWSA-N 351.426 0.855 0 40 FCAB CN(Cc1nncn1C)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585594376 ZXIXNDITYUBWCT-UHFFFAOYSA-N 353.434 0.841 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1C(=O)Cn1c(=O)cnc2ccccc21 643953413 RLXQKZXHHPECHG-SFHVURJKSA-N 358.398 0.150 0 40 FCAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N=c1cc[nH]cc1Br 666491858 FTFKQWWVRDUIKP-VHSXEESVSA-N 364.221 0.200 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2ccc(C)s2)CCO1 681944227 WFPZVYIWUATLFG-ZDUSSCGKSA-N 354.428 0.760 0 40 FCAB CC(C)[C@@]1(O)[C@H](O)[C@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@H](C)[C@H]42)[C@@]13C 1772820073 HMPXQDVZEWENGB-UQIDBMFSSA-N 368.470 0.390 0 40 FCAB endogenous COCCNC(=O)c1cnc2n1C[C@@H](NC(=O)CN(C)C(C)C)CC2 2055746392 WTQZAJDFJKSDOX-ZDUSSCGKSA-N 351.451 0.031 0 40 FCAB CC[C@@H](C)[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)OC 5156791 KRACPILRQKWXJU-MFKMUULPSA-N 357.432 0.721 0 40 FCAB O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1cc(Cl)ccn1 8134637 GUIQTEFAQZUHTN-UHFFFAOYSA-N 360.805 0.604 0 40 FCAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCC[C@@H](C)C2)n1 9037130 BTKWPVSZHOQSBW-SNVBAGLBSA-N 358.402 0.769 0 40 FCAB O=C(c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)N1CCCC1 12029246 UZSXFMDLFNVDCV-CQSZACIVSA-N 357.453 0.883 0 40 FCAB Cc1ccc(S(=O)(=O)N(CC(=O)O)[C@@H]2CCS(=O)(=O)C2)c(C)c1 13029988 COSROSZTLBIMFX-GFCCVEGCSA-N 361.441 0.566 0 40 FCAB CN1C(=O)N(C)C2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 16849932 LSPLIMFHOSYULV-UHFFFAOYSA-N 355.391 0.873 0 40 FCAB O=c1c2cc(Br)ccc2ncn1C[C@H](O)CN1CCOCC1 28689988 BELZWRRJXLAXHD-GFCCVEGCSA-N 368.231 0.852 0 40 FCAB CC(C)CN1CCO[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCCC3=O)C1 32269407 DEFOXJYISROFBK-ZDUSSCGKSA-N 361.442 0.981 0 40 FCAB COc1ccc(CC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1OC 32770971 ALFDMPLRWCMRKN-UHFFFAOYSA-N 356.444 0.787 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 40033581 ARPNYRPBYGYRJV-OAHLLOKOSA-N 354.476 0.417 0 40 FCAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 40266456 VJKWPMUKGBTMPX-CYBMUJFWSA-N 360.414 0.581 0 40 FCAB NC(=O)COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 56949794 XRKMFIVCDPVSQU-UHFFFAOYSA-N 361.373 0.965 0 40 FCAB CN(C)S(=O)(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 58282532 RSKRFJHSZYOTFY-UHFFFAOYSA-N 360.867 0.385 0 40 FCAB O=C1C(=O)N(Cc2ccccc2)C(=O)N1CCN1CCCS1(=O)=O 89834771 AHWWVOWRHNTCAC-UHFFFAOYSA-N 351.384 0.013 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)c2cccn2C)C[C@]2(CC(=O)N(C)C2)C1 96062573 ZRNLQPNZCJTKQA-IBGZPJMESA-N 360.458 0.814 0 40 FCAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCN1C(=O)c2ccccc2C1=O 102401409 BOKUUODCPSGILL-TXEJJXNPSA-N 370.361 0.959 0 40 FCAB COc1nc(OC)nc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2087137396 LPCPJZRXPFZESC-JTQLQIEISA-N 373.360 0.352 0 40 FCAB NC(=O)CO[C@@H]1CO[C@@H]2[C@@H](NC(=S)Nc3ccc(F)cc3)CO[C@H]12 4222764 DVJGPJZFSWPXPQ-OIMNJJJWSA-N 355.391 0.149 0 40 FCAB biogenic,in-vitro CCCCNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 4569488 WHJGTZXBSNLVAV-GFCCVEGCSA-N 373.500 0.934 0 40 FCAB CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)O 5706782 YVUXDVLDLAQYEC-OLZOCXBDSA-N 370.427 0.596 0 40 FCAB CN(CC(=O)NCc1ccco1)C(=O)Cc1n[nH]c(=O)c2ccccc12 6657409 YWMOOIIMZNPGIA-UHFFFAOYSA-N 354.366 0.833 0 40 FCAB CCN(C(=O)COC(=O)c1cccc(C)c1N)[C@H]1CCS(=O)(=O)C1 7307657 WSPMLCQXUGPAJW-LBPRGKRZSA-N 354.428 0.770 0 40 FCAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Cn1cnc3ccccc3c1=O)C2 12143192 PFZIASILTLHANQ-UHFFFAOYSA-N 351.366 0.373 0 40 FCAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3ncnc4nc[nH]c34)nn12 14201619 YYLJNPULOICNLI-QMMMGPOBSA-N 367.329 0.283 0 40 FCAB CCN(CC)CCCNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 17287548 OFWCMPSNWIVQHM-UHFFFAOYSA-N 359.430 0.387 0 40 FCAB CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1 24996013 WFVHYYACWKFXMV-UHFFFAOYSA-N 354.428 0.964 0 40 FCAB COC(=O)[C@@H](C)N(C(=O)COc1ccccc1)[C@H]1CCS(=O)(=O)C1 32641321 BVQXMKSBOGNGQM-OLZOCXBDSA-N 355.412 0.643 0 40 FCAB CC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 39578004 NJZZWERIFZFKMT-ZDUSSCGKSA-N 369.395 0.743 0 40 FCAB O=S(=O)(c1cccs1)N1CCN(c2ccc3nnnn3n2)CC1 40025147 VEVDXYLYAAWHFT-UHFFFAOYSA-N 351.417 0.092 0 40 FCAB Cc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCN2CCOCC2)C3)cc1 57531464 YJQDANVURJYVKM-QGZVFWFLSA-N 356.426 0.777 0 40 FCAB O=C(N[C@@H]1CCCNC1=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 69335096 YSAIRMQQHXZZAE-SNVBAGLBSA-N 350.318 0.989 0 40 FCAB Cc1noc(CNC(=O)C2CCN(C(=O)c3snnc3C)CC2)n1 70655666 KUZIRRMFBSYZPP-UHFFFAOYSA-N 350.404 0.707 0 40 FCAB CC(C)NC(=O)Nc1ccc([C@H]2OCC(=O)N(CCN)[C@@H]2CO)cc1 72321368 MTKGCYJKKONNPS-GDBMZVCRSA-N 350.419 0.436 0 40 FCAB biogenic,in-vitro CN(C)C(=O)COC[C@H]1CN(Cc2nccs2)Cc2nnn(C)c21 96060696 HDFDGPPQEAEJBS-LLVKDONJSA-N 350.448 0.476 0 40 FCAB CN1C[C@H](NC(=O)c2cnccn2)CCC[C@@H](C(=O)NC2CC2)CC1=O 96113250 RRDMUYXSOIWLNR-TZMCWYRMSA-N 359.430 0.502 0 40 FCAB biogenic,in-vitro O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@H](O)c1ccc(F)cc1 103154491 CVMGVTSHDSFHAL-UOYADTOYSA-N 358.369 0.782 0 40 FCAB Cc1cc(NC(=O)CN(C)C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)no1 107327863 FPDGWGBGGDDJET-DPDCMNJDSA-N 372.381 0.187 0 40 FCAB COc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)cc1 222671868 LMBZDRYWZHFXNI-UHFFFAOYSA-N 361.354 0.065 0 40 FCAB Cn1nc(C(=O)NCCn2nc(-c3cnccn3)cc2C2CC2)ccc1=O 238955625 XXOCVJKHYIZWFR-UHFFFAOYSA-N 365.397 0.741 0 40 FCAB Cc1cc(C(=O)N2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)no1 306125102 CGZGQCJMLUJQAT-OLZOCXBDSA-N 371.397 0.371 0 40 FCAB Cc1nc2c(cc1C(=O)NS(=O)(=O)C[C@@H]1CCCO1)c(C)nn2C 408428229 TUZQUZAWQBMKPV-NSHDSACASA-N 352.416 0.824 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)NCCN[C@H]1CCS(=O)(=O)C1 575420515 CKJRETFKAZZAKL-LBPRGKRZSA-N 362.473 0.059 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(CN2CCCC2)on1 644060809 COXOBPBEWHJPHY-KRWDZBQOSA-N 350.419 0.638 0 40 FCAB Cc1nnc2n1C[C@@H](C(=O)NCCOc1cncc(Cl)c1)N(C)C2 644457312 RGOSXDSEVFAIDS-ZDUSSCGKSA-N 350.810 0.644 0 40 FCAB CO[C@@H](CS(=O)(=O)Nc1cnccc1-n1ccnn1)[C@@H]1CCOC1 656737802 PQIQEZVFGZXWFW-RISCZKNCSA-N 353.404 0.456 0 40 FCAB COCc1nsc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)n1 1888903853 AIJZTIDJPRRODB-PHIMTYICSA-N 372.458 0.934 0 40 FCAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1889128711 ISFSIYPFGZJUQS-UHFFFAOYSA-N 362.821 0.965 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2cccc(OC)c2)CC1 2055745990 XPLSXSLTNXFZJY-UHFFFAOYSA-N 371.441 0.684 0 40 FCAB O=C(Cn1ccccc1=O)N1C[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 2055750631 LETOKJARJSKMEB-IAGOWNOFSA-N 354.410 0.355 0 40 FCAB CC(C)NC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)CN(C)C(C)C)OC2 2055759249 CFZPEEZOEPYSJV-LBPRGKRZSA-N 351.451 0.446 0 40 FCAB O=C(Cn1cnnn1)N1CCC[C@]2(CCCN(Cc3ccccn3)C2)C1 2056224427 IZFWKRCATHOYIH-SFHVURJKSA-N 355.446 0.973 0 40 FCAB CN(C)C(=S)S(=O)(=O)CCCCS(=O)(=O)C(=S)N(C)C 1570680 MLPNSWIPJRFMIY-UHFFFAOYSA-N 360.548 0.289 0 40 FCAB OC[C@@H]1O[C@H](n2cnc3c(SCc4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 4537764 OMJRXFOHHLLDFR-SYEQVDHESA-N 374.422 0.730 0 40 FCAB in-vitro CCn1cnnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 8352045 KNHFLZIHCNTNGZ-UHFFFAOYSA-N 351.432 0.578 0 40 FCAB Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CCC(=O)O)c(C)c1 8549638 ZBBYEJNHOBGEKJ-CQSZACIVSA-N 361.398 0.824 0 40 FCAB Cc1ccc(N2CCn3c2nn(CC(=O)N2CCCC2)c(=O)c3=O)cc1 8849604 VGHKPUQCAKEUIM-UHFFFAOYSA-N 355.398 0.488 0 40 FCAB CCOc1nn(CC)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 9070584 PAEFWCITLLVCHK-UHFFFAOYSA-N 366.443 0.922 0 40 FCAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NCCN2CCOCC2)c2ccccc21 13623837 UHRYMMLCFRFJMR-INIZCTEOSA-N 374.441 0.047 0 40 FCAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@@H]1CC 14094672 FMHIUWXEUFNJBD-GFCCVEGCSA-N 368.434 0.669 0 40 FCAB CCN1CCN(C(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)CC1 16681490 LAYVLTWHGKHBHL-UHFFFAOYSA-N 373.450 0.619 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)NCC(=O)Nc3ccc(F)cc3)cnc21 17180426 VYJHAZUCJYEPTB-UHFFFAOYSA-N 358.333 0.024 0 40 FCAB COCCNC(=O)NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 22985428 DJEGAILKECPOMW-UHFFFAOYSA-N 350.400 0.419 0 40 FCAB Cc1cn2nc(NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)sc2n1 29625509 BWELISXHIRSIIV-QWRGUYRKSA-N 359.477 0.950 0 40 FCAB CC1=C(CC[C@H](C)O)C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 31168500 UJRMJTIXXKZFGB-NBVSPMLASA-N 374.474 0.469 0 40 FCAB biogenic,in-vitro O=C1CN(c2ccc(NC(=O)c3ccc(-n4cncn4)cc3)cn2)CCN1 31718792 MDCYDIIZJRWBRT-UHFFFAOYSA-N 363.381 0.851 0 40 FCAB Cn1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1C(=O)N1CCCC1 32918193 AUTJVWJLXJHKRR-UHFFFAOYSA-N 369.443 0.746 0 40 FCAB CCOC(=O)N[C@@H]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)C1 40118630 KAHJUZSJIOWLHF-CYBMUJFWSA-N 373.413 0.919 0 40 FCAB Cn1c(S(C)(=O)=O)ncc(S(=O)(=O)c2ccc(Cl)cc2)c1=O 57477988 BAFNKRMGPOJSJE-UHFFFAOYSA-N 362.816 0.670 0 40 FCAB NC(=O)[C@@H]1CC(C(=O)N2CCc3cncnc3C2)=NN1c1ccccc1 95396055 RBKSENNQEKEECS-INIZCTEOSA-N 350.382 0.482 0 40 FCAB CCn1c(=O)n(CC(=O)N2CCC[C@H](S(C)(=O)=O)C2)c2ccccc21 95943063 GUZFOKAISNMVNU-ZDUSSCGKSA-N 365.455 0.859 0 40 FCAB CCN(CC)C(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961322 DCJYQPMPPBIKLJ-INIZCTEOSA-N 362.478 0.995 0 40 FCAB C[C@@H](CN1CCOCC1)NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1 95999946 IYULHCXUYBNEIZ-AWEZNQCLSA-N 367.471 0.151 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)Cc1ccccc1F 225669327 RVJNFVBMTJHXEE-UHFFFAOYSA-N 368.434 0.990 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)COC2CCCC2)Cc2ccnn2C1 247517320 KGKQTECXBAPGRC-CYBMUJFWSA-N 370.475 0.350 0 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0.914 0 40 FCAB CC(C)n1nnnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 8548120 ZFTCTZXPMJNODR-UHFFFAOYSA-N 366.447 0.534 0 40 FCAB CC1=CC2=NC(=O)C[C@](C)(C(=O)NCCNC(=O)c3ccccn3)N2C=C1 12204814 DBRUXLDMHLJKKS-LJQANCHMSA-N 367.409 0.791 0 40 FCAB CSc1nc(N)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(=O)[nH]1 18168328 GUOFVTNLTGQJBO-UHFFFAOYSA-N 369.428 0.833 0 40 FCAB O=C(Cn1cncn1)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1 19748711 LTRXURVOVCRPKM-UHFFFAOYSA-N 354.414 0.085 0 40 FCAB CCNC(=O)NC(=O)[C@H](C)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 29677601 WVCHUJUDLDVXCR-GJZGRUSLSA-N 367.494 0.239 0 40 FCAB CCCn1nnnc1COC(=O)c1ccc(N2CCCS2(=O)=O)cc1 32860347 VDYMFRYVVMYTKE-UHFFFAOYSA-N 365.415 0.980 0 40 FCAB Cc1ccc(C(=O)N2CCCn3c(nc(Cn4cncn4)cc3=O)C2)o1 96197599 KPVFPEJLVZHFIF-UHFFFAOYSA-N 354.370 0.831 0 40 FCAB O=C1CCC(=O)[C@@]23C4C5[C@H]6[C@@H]5[C@H](n5c(=O)n(-c7ccccc7)c(=O)n5[C@H]62)[C@]143 104283680 XNVICNIWYLYIIP-KIEAQODYSA-N 361.357 0.321 0 40 FCAB Cn1cnnc1S(=O)(=O)C1CN(C(=O)c2ccc3nsnc3c2)C1 252533131 FXWIPKZLFOVVKG-UHFFFAOYSA-N 364.412 0.118 0 40 FCAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCCO)cc1 408591073 IHEMBHSKWGBSTH-ZDUSSCGKSA-N 358.460 0.887 0 40 FCAB Cc1cc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)no1 408654284 GDMZNOPLIHLHET-TZHPCZLDSA-N 373.365 0.660 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3O[C@@H](C(=O)NCc4ccccn4)CC[C@H]32)n1 585108744 RXDRAFWVLMYFDR-RBSFLKMASA-N 370.413 0.289 0 40 FCAB Cc1cc(C(=O)N2CC(N3CCO[C@@H](c4nc(C)no4)C3)C2)nc(C)n1 685941674 GIPZVLLNLHJKEN-OAHLLOKOSA-N 358.402 0.683 0 40 FCAB O=C(Cc1ccc(F)cn1)N1CC[C@H]2CO[C@H](CN3CCOCC3)[C@H]2C1 1565549638 XKIMEUZEPCSJNF-JCGIZDLHSA-N 363.433 0.959 0 40 FCAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)[C@@H]5CCCCO5)C[C@H]4C3)nn12 1888850292 AQUVOUQPXSGXGY-KFWWJZLASA-N 356.430 0.896 0 40 FCAB O=C(c1cncnc1)N1CCO[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984700 KVPNSTNJYNFQGK-LJQANCHMSA-N 368.393 0.751 0 40 FCAB COc1cc2c3nc4n(c(=O)c3n(CC(N)=O)c2cc1OC)CCS4 1432121 ANJAZLMKPJEMPM-UHFFFAOYSA-N 360.395 0.959 0 40 FCAB O=C(COC(=O)c1ccc(O)cc1O)NCCN1C(=O)CSC1=O 3352160 HVRSHVYMMIQFAT-UHFFFAOYSA-N 354.340 0.066 0 40 FCAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 11904390 ARVMBZGPRPIOKQ-LBPRGKRZSA-N 374.440 0.210 0 40 FCAB Cc1cc(O)nc(Nn2ccc3nc(N4CCOCC4)ncc3c2=O)n1 13638667 GPOZXFNGWMNHIM-UHFFFAOYSA-N 355.358 0.307 0 40 FCAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@H]1C 14109099 NYSFHZPHRRJZSB-NSHDSACASA-N 354.407 0.279 0 40 FCAB O=C1N=C(O)[C@]2(C(=O)N1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 17724591 AJZAUELQWCPFGC-TUAOUCFPSA-N 368.349 0.215 0 40 FCAB CCCCn1nnnc1COC(=O)c1ccccc1CN1C(=O)CNC1=O 23203995 WRZHBYQKESNKMA-UHFFFAOYSA-N 372.385 0.882 0 40 FCAB CC(C)[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N1CCc2ccccc2C1 25918396 UZUUJBKSVMSYDX-QGZVFWFLSA-N 370.453 0.736 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)NC[C@H]2COc3ccccc3O2)CC1 26280926 NMJHCAPLPCNMHJ-ZDUSSCGKSA-N 369.443 0.550 0 40 FCAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N(CCOC)CCOC)cc1 27063326 WFAPCOGCFGDVET-RMKNXTFCSA-N 356.444 0.729 0 40 FCAB Cn1c(=O)c2c(S[C@@H]3CCOC3=O)nc(C(C)(C)C)nc2n(C)c1=O 28690617 MVGIJYUYXKDLFS-MRVPVSSYSA-N 364.427 0.732 0 40 FCAB Cc1ccc(F)cc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 32910731 OBZRJZIZFMJSNQ-UHFFFAOYSA-N 351.334 0.946 0 40 FCAB CN1CCN(S(=O)(=O)c2ccc(SCC(=O)N3CCC3)nc2)CC1 40063065 NDUHAODCMCAYMU-UHFFFAOYSA-N 370.500 0.342 0 40 FCAB C[C@H](NC(=O)c1ccoc1)C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 40153129 MRJPBKQGYMEKSV-BBATYDOGSA-N 370.365 0.896 0 40 FCAB CS(=O)(=O)N1CCc2cc(C(=O)NCCCN3CCOCC3)ccc21 45700004 QQEFXBJQTZDTSG-UHFFFAOYSA-N 367.471 0.461 0 40 FCAB C[C@H]1CN(CCCNc2ccc(S(N)(=O)=O)cc2C(N)=O)C[C@H](C)O1 75108987 XCUHIEULYJXSHZ-RYUDHWBXSA-N 370.475 0.344 0 40 FCAB Cc1nc(C(=O)N2CCOCC2)cc(N2CCN(c3ncccn3)CC2)n1 96182747 ASNAWVPGMDZOTL-UHFFFAOYSA-N 369.429 0.374 0 40 FCAB COCC(=O)N1CC2(CCN(Cc3cncn3C)CC2)C[C@]1(C)CO 257308443 TWRVCQAMKZACQH-QGZVFWFLSA-N 350.463 0.632 0 40 FCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)C(C)C)C3)n1 306141347 VSVGVPZBGLRVRT-ZDUSSCGKSA-N 353.444 0.836 0 40 FCAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)Cn3cnc(C)c(C)c3=O)C2)n1 390827686 JCEDWYRBDGBKJM-HNNXBMFYSA-N 357.414 0.947 0 40 FCAB O=C(CCc1ccc[nH]1)N1CCOC[C@@]2(C[C@@H](Cn3cnnc3)CO2)C1 1565547106 KPKQDVKYQRMAIV-MAUKXSAKSA-N 359.430 0.873 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@H](NC(=O)c1cc(OC)no1)CC2 1614938989 IOLGIQUZUFCQQC-SNVBAGLBSA-N 363.374 0.001 0 40 FCAB O=C([C@H]1CN(Cc2noc(C3CCOCC3)n2)CCO1)N1CCOCC1 1888864426 NGXHFDRCNMZXRV-CQSZACIVSA-N 366.418 0.023 0 40 FCAB O=S1(=O)N=C(N2C[C@@H]3CN(Cc4ncon4)C[C@H]3C2)c2ccccc21 1888930383 PBMOMAVVJHSFAU-RYUDHWBXSA-N 359.411 0.582 0 40 FCAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3nc(C)no3)CC2)n1 2087128274 LJNIBGZHWFWVKH-UHFFFAOYSA-N 359.434 0.635 0 40 FCAB CCn1ncc(NC(=O)c2nc3ncccn3n2)c1C(=O)N1CCOCC1 2808939 PEBVSIIMYBUYHK-UHFFFAOYSA-N 370.373 0.065 0 40 FCAB C[C@@H]1CCCCN1C(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 3295609 ALQUKSMDYLRSHZ-GFCCVEGCSA-N 359.382 0.634 0 40 FCAB CCc1nc(S[C@@H](CC)C(=O)OC)c2c(=O)n(C)c(=O)n(C)c2n1 4138960 VXVVUKPOYNTRGJ-QMMMGPOBSA-N 352.416 0.633 0 40 FCAB CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 4279295 BBFJZZWRXVVKEC-ALYAQQCSSA-N 351.399 0.945 0 40 FCAB CCOC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]1N[C@H](C(=O)O)CS1 5540059 HZEUEERGLIUFQT-UBHSHLNASA-N 352.412 0.393 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCCO 6366362 QZRCHXRSVJBSAV-SNVBAGLBSA-N 364.427 0.715 0 40 FCAB CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OCC)CC2)c1 8128579 CBNPABXOTWOSST-UHFFFAOYSA-N 369.443 0.899 0 40 FCAB O=C(NCc1cccnc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 8254146 FOGIODWSAMEWMU-NXHRZFHOSA-N 370.457 0.235 0 40 FCAB biogenic,in-vitro CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCCC(C)C)n1 9037636 PSTGTVQVTGOAPE-UHFFFAOYSA-N 360.418 0.927 0 40 FCAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(C3CC3)n2C)C1=O 9054324 VJVWRIPZCNHKLC-CQSZACIVSA-N 352.420 0.536 0 40 FCAB C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCO2 10993556 YKEVUIUXRGYAQG-ZJUUUORDSA-N 355.368 0.720 0 40 FCAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)N1CCn2c(nnc2C2CC2)C1 12158654 DUJVOKXZZZXMHF-HMEQZMJYSA-N 369.425 0.529 0 40 FCAB CCOC(=O)N1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 19809517 DWNRDTSFKLQSSR-ZDUSSCGKSA-N 352.387 0.929 0 40 FCAB C/C(NN1CCN(C)CC1)=C1\C(=O)N=C(O)N(Cc2ccccc2)C1=O 20290885 OPBZQXQMKHWNNS-SQFISAMPSA-N 357.414 0.495 0 40 FCAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1C 24682798 FODBUMIRHQVBBU-GFCCVEGCSA-N 371.459 0.962 0 40 FCAB COC(=O)[C@@H]1CC(=O)N(c2ccc(N3C[C@H](C(=O)OC)CC3=O)cc2)C1 45953680 QAOBUIYOFZZOEG-VXGBXAGGSA-N 360.366 0.738 0 40 FCAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cccnc2-n2cccn2)C1 48194155 JEMRWLMNGLFFKG-GFCCVEGCSA-N 364.431 0.813 0 40 FCAB CC1=C(CC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1 49181277 QOLJILMTPKQQQA-NBVSPMLASA-N 374.474 0.469 0 40 FCAB biogenic,in-vitro CS(=O)(=O)N1CC[C@]2(CCC[C@@H](CNC(=O)c3ccncc3)O2)C1 96207814 MPPXMPBLNZELKQ-GOEBONIOSA-N 353.444 0.785 0 40 FCAB Cc1cnc(C(=O)N2CCc3nc(N4CCOCC4)nc(C)c3C2)cn1 96253869 IWWAQYXOIAZHGF-UHFFFAOYSA-N 354.414 0.919 0 40 FCAB COc1nn(C)cc1C(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 225504092 MSIFWNRXIUGIBB-LBPRGKRZSA-N 360.418 0.968 0 40 FCAB O=C(C1CC(F)C1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 306126919 FJDRTSRCFLTAPT-OTTFEQOBSA-N 369.418 0.619 0 40 FCAB Cc1cc(CN2Cc3ccnn3C[C@@H](CNS(=O)(=O)C3CC3)C2)no1 306143274 XXPUQFIBHWIXAX-ZDUSSCGKSA-N 365.459 0.893 0 40 FCAB Cn1cc(-c2noc(CNC(=O)c3cnn(-c4ccccc4)n3)n2)cn1 390830004 IBNMFVXRIPQSMC-UHFFFAOYSA-N 350.342 0.981 0 40 FCAB CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)Cc1ccc(F)cc1 408623321 QBRICIBTAMRIKD-UHFFFAOYSA-N 371.434 0.311 0 40 FCAB Cc1c([C@@H]2[C@@H](C(=O)Nc3nnc4n3CCCC4)CC(=O)N2C)cnn1C 573901672 ANEPYRGEUVDRIS-NHYWBVRUSA-N 357.418 0.814 0 40 FCAB Cc1snnc1C(=O)N1CC[C@@H]2[C@@H](CO[C@H]2CNC(=O)C2CC2)C1 585108054 JOAQQCXGAZTTOS-UPJWGTAASA-N 350.444 0.850 0 40 FCAB COCc1cn([C@H]2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)nn1 585149596 BBFMMCJSDCDORX-AWEZNQCLSA-N 368.397 0.608 0 40 FCAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(C)(=O)=O)C[C@H]4C3)ncn2)n1 585614402 GSWMJRBJFNEYCJ-OKILXGFUSA-N 362.459 0.607 0 40 FCAB CCn1nccc1N1CCC[C@@H](NC(=O)c2ccc(C(=O)O)cn2)C1=O 952876030 MHYMNZGKTNDEAN-CYBMUJFWSA-N 357.370 0.922 0 40 FCAB CCN(C)C(=O)c1cnn2c1CN(C(=O)c1ncc(OC)cn1)CCC2 1565545971 SWAKRZQDOUKTSA-UHFFFAOYSA-N 358.402 0.820 0 40 FCAB CC(=O)c1cc(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)n[nH]1 1565551170 NBJHXEOOJYNXBL-UHFFFAOYSA-N 370.413 0.480 0 40 FCAB O=C(Cn1ccccc1=O)NC[C@@H]1Cn2nnc(-c3ccoc3)c2CO1 1614930658 AZOXYXNAQNPIHI-CYBMUJFWSA-N 355.354 0.415 0 40 FCAB O=C([C@H]1CN(c2nccn3nc(C4CC4)cc23)CCO1)N1CCOCC1 1889138855 HQSJEOMZDNZPCL-MRXNPFEDSA-N 357.414 0.671 0 40 FCAB Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)CCS(C)(=O)=O)C[C@@H]21 2055750541 BEOWKMASJGTGFY-LSDHHAIUSA-N 371.459 0.138 0 40 FCAB CCOC(=O)N1CCN(C(=S)NC(=O)c2nn(C)cc2Cl)CC1 849475 URVFPFCXGFWTGJ-UHFFFAOYSA-N 359.839 0.862 0 40 FCAB Cc1ccc(Cn2c(=O)c3c(nc(N4CCNCC4)n3C)n(C)c2=O)cc1 4370915 JVEMYHJZZLYVTA-UHFFFAOYSA-N 368.441 0.200 0 40 FCAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1cc(C)on1)c(=O)n2C 9571659 TWLBNLSEMYWSQP-UHFFFAOYSA-N 373.369 0.737 0 40 FCAB CNC(=O)[C@@H]1[C@H](C(=O)O)[C@@H]2CCC(=O)N2[C@@H]1c1ccc(OC)c(OC)c1 15229831 PVKXEZWIHBYMBF-ZWMNYZCKSA-N 362.382 0.813 0 40 FCAB O=C(NCc1nc2ccccc2[nH]1)c1c[nH]c(=O)n(Cc2ccco2)c1=O 77099841 VWPKYYSHWWLUND-UHFFFAOYSA-N 365.349 0.984 0 40 FCAB CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)NCCN2C(=O)CCC2=O)O1 89662547 SLMVFAWQWXYJJP-NWDGAFQWSA-N 369.418 0.324 0 40 FCAB Cc1cnc(C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)cn1 96050317 AGCCXKNMCVLYFJ-LJQANCHMSA-N 366.425 0.743 0 40 FCAB Cc1ccc(CC(=O)N2C[C@H]3OCCN(S(C)(=O)=O)C[C@H]3C2)cc1 96108024 ONZAVCUKXNBHMA-HZPDHXFCSA-N 352.456 0.656 0 40 FCAB Cc1cc(C(=O)N2CCC3(CC2)O[C@@H](C(=O)N(C)C)Cn2ccnc23)no1 96243571 GFUDQRATJATJQU-CQSZACIVSA-N 373.413 0.798 0 40 FCAB CN[C@H]1CC2(CCN(C(=O)CCCn3cccn3)CC2)OC[C@]1(C)O 257275149 NOBWPHTZYCRIJK-RDJZCZTQSA-N 350.463 0.784 0 40 FCAB CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cnn(C)c3)C2)ncn1 257275386 NPDURHZDVRSANK-QGZVFWFLSA-N 359.434 0.355 0 40 FCAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CC[C@](O)(CN2CCOCC2)C1 257318929 VPZKOQMSQSQEEE-SFHVURJKSA-N 357.414 0.381 0 40 FCAB Cn1cccc1C(=O)NC[C@@H]1CO[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]21 306124273 BLFPBCSEXZGRLG-UMVBOHGHSA-N 367.413 0.344 0 40 FCAB C[C@@H]1c2nc(C(=O)NCc3ncccn3)cn2CCN1Cc1cnn(C)c1 306133706 MTELDZDCHBOIJB-CYBMUJFWSA-N 366.429 0.913 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390831669 UAONSABXKOBYAW-LLVKDONJSA-N 363.403 0.286 0 40 FCAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2cnn3ccccc23)C1 585123232 JJVQHBKMEGUEGF-CYBMUJFWSA-N 365.459 0.805 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)N1CC(N2C(=O)[C@@H]3C[C@H]3C2=O)C1 585387921 TWGLGQRKVYUJIC-GHMZBOCLSA-N 354.359 0.212 0 40 FCAB CS(=O)(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)CCCn2ccnc2)C1 607854004 MQAVAFKRUZLNNK-GFCCVEGCSA-N 351.432 0.806 0 40 FCAB Cc1nccnc1N1CCN(C(=O)[C@@H](C)n2cnc3c(N)ncnc32)CC1 614449504 SQJGOSZSMQVPPV-GFCCVEGCSA-N 367.417 0.417 0 40 FCAB CNC(=O)/C=C/CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 618254061 BSNLPKADXVLRLL-VMPITWQZSA-N 365.455 0.506 0 40 FCAB CCc1ncnc(NC[C@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@H]2O)c1F 685941490 XRABOYKONZZUQW-HOSYDEDBSA-N 350.398 0.577 0 40 FCAB Cn1nc(C2CCN(c3ncnc4c3cnn4C)CC2)n(C2CC2)c1=O 1888897020 GVOBKHLJFYZPOQ-UHFFFAOYSA-N 354.418 0.977 0 40 FCAB O=C(c1ccncc1F)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888901344 WAOSCTCBPSJJSM-VXGBXAGGSA-N 353.361 0.867 0 40 FCAB CC(=O)[C@H](C)n1c(CN2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4170357 GTSHADYHXAWHIO-NEPJUHHUSA-N 361.446 0.816 0 40 FCAB Cn1nnnc1SCC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 6590402 VEGAEHGOSJILDO-UHFFFAOYSA-N 353.429 0.507 0 40 FCAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCO 6889157 MLOHJHGPJRXGNN-UHFFFAOYSA-N 356.444 0.785 0 40 FCAB O=C(Nc1ccc(F)cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 8853087 OLXFKMHOOBGHIO-LBPRGKRZSA-N 353.375 0.930 0 40 FCAB Cc1ccc(OCCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 12942644 JKBOJLYHAUBPFQ-UHFFFAOYSA-N 368.393 0.749 0 40 FCAB O=S1(=O)C[C@H](NC[C@@H]2CCCO2)[C@@H](S(=O)(=O)c2cccs2)C1 13371080 LMRDLAWDSZPAAU-SRVKXCTJSA-N 365.498 0.456 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20567255 NWFXSQZYYDXSSS-OUFKLWKOSA-N 370.409 0.083 0 40 FCAB O=C(CNc1nc(Cl)nc2[nH]cnc12)NCCCN1CCOCC1 20648812 QQXDOEWCASUABT-UHFFFAOYSA-N 353.814 0.257 0 40 FCAB Cc1cccc2nc(CN3CCN(CC(=O)NC4CC4)CC3)cc(=O)n12 22789276 YFHCPYADOKXARX-UHFFFAOYSA-N 355.442 0.399 0 40 FCAB COc1cccc(NC(=O)CN2CCN(C(=O)N3CCOCC3)CC2)c1 23668688 JWBYBUXZSDWJLG-UHFFFAOYSA-N 362.430 0.704 0 40 FCAB COC(=O)c1ccc(CN2CCN(S(=O)(=O)N3CCCC3)CC2)cc1 32777686 MXMAPBOZJXYLCX-UHFFFAOYSA-N 367.471 0.931 0 40 FCAB COc1ccc(Br)cc1S(=O)(=O)N(CCO)CCO 40692148 NLVLJJHXYHFAGC-UHFFFAOYSA-N 354.222 0.433 0 40 FCAB CCOC(=O)[C@@H](CO)N[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41104827 MNLNZIJOLOZQMO-ZIAGYGMSSA-N 365.430 0.543 0 40 FCAB COc1ncccc1NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 49058613 BXNMFSAFGABFRK-QWRGUYRKSA-N 353.400 0.064 0 40 FCAB CCCC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 55008088 CEYKATKBDIDQGS-INIZCTEOSA-N 365.474 0.875 0 40 FCAB COC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 57478051 MBHGMTKQUYTUEB-UHFFFAOYSA-N 358.310 0.965 0 40 FCAB Cc1ccc([C@H](CNC(=O)CN2CCS(=O)(=O)CC2)N(C)C)cc1 58264592 ZJHYDVZKMJTTGU-INIZCTEOSA-N 353.488 0.444 0 40 FCAB COc1ccc2c(c1)[C@H](C(=O)N1CCc3[nH]nc(C(N)=O)c3C1)CC(=O)N2 91871950 ZVLPXUOAQHFAMP-LLVKDONJSA-N 369.381 0.528 0 40 FCAB COC(=O)CNC(=O)Cn1nc(-c2ccc(Cl)cc2)c(OC)cc1=O 96184183 OQQDLCIFLXCOJQ-UHFFFAOYSA-N 365.773 0.862 0 40 FCAB Cn1cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c2ccccc21 170771863 RZTIZRVUEPBZDM-UHFFFAOYSA-N 353.386 0.149 0 40 FCAB C[C@@H]1Oc2ccc(S(=O)(=O)NCCC(=O)N3CCCC3)cc2NC1=O 227168519 MFBSDSAQQVNKTH-NSHDSACASA-N 367.427 0.697 0 40 FCAB Cc1n[nH]c(C)c1CC(=O)N(C)C[C@]1(O)CCCN(c2cnccn2)C1 257232243 GJYRMOOCSWHJJW-GOSISDBHSA-N 358.446 0.849 0 40 FCAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)CCCn1cncn1 257242413 ICJHDVKPKNAXEP-GOSISDBHSA-N 358.446 0.943 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@H](CCNC(=O)c2cscn2)C1 585112168 JZCZUWWSDWOCTL-LLVKDONJSA-N 369.472 0.866 0 40 FCAB CCOc1ncccc1C(=O)N1CCO[C@@](COC)(CC(=O)NC)C1 585277278 HJCXRNNCAOTTRP-KRWDZBQOSA-N 351.403 0.474 0 40 FCAB Cc1noc([C@H](C)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 642527904 BEBLZFFLTGLPQJ-NSHDSACASA-N 351.432 0.909 0 40 FCAB CN(C)c1ccnc(NC(=O)NC[C@@H]2OCCN(C)[C@H]2c2cnn(C)c2)n1 666585444 BZELPIQHQIDABF-ZFWWWQNUSA-N 374.449 0.470 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)Cc3ccc(F)c(F)c3)C2)C1 685941249 BDSXIURSNZXYOK-NSHDSACASA-N 351.353 0.313 0 40 FCAB Cc1ccc(CNC(=O)CN2CCO[C@H](C(=O)N3CCOCC3)C2)cc1 1888929669 QYSGVTJBNQYQRI-KRWDZBQOSA-N 361.442 0.171 0 40 FCAB CNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cc(C)ccc1C 4569700 KFWYBQBVEUELEA-ZDUSSCGKSA-N 353.444 0.319 0 40 FCAB CCN(CC)C(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 5040834 HMQRQEFDGBXOAH-SJCJKPOMSA-N 353.419 0.899 0 40 FCAB CC(=O)Cn1c(=O)c2c(nc3n2CCCN3Cc2ccco2)n(C)c1=O 8778508 ILVLFXKRRWENJA-UHFFFAOYSA-N 357.370 0.489 0 40 FCAB COc1c(F)c(F)cc2c(=O)c(C(=O)NC[C@@H](O)CO)cn(C3CC3)c12 13684466 DGYWRBNFZKUJLJ-SECBINFHSA-N 368.336 0.706 0 40 FCAB CCN1C[C@@H](CN(C)CCS(=O)(=O)CCC(N)=O)Oc2ccccc21 16423370 BBQOLRYHWWHUIH-CQSZACIVSA-N 369.487 0.496 0 40 FCAB Cn1ncc(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1-n1cccc1 32242273 LUPXSKIDKOKOLD-UHFFFAOYSA-N 372.473 0.883 0 40 FCAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)o1 32669916 GAPIIUDNCBDJSU-LBPRGKRZSA-N 366.395 0.702 0 40 FCAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(S(=O)(=O)N2CCCC2)CC1 40062919 GDJGLUICGPHKDB-UHFFFAOYSA-N 353.448 0.386 0 40 FCAB CS(=O)(=O)N1CCc2cc(C(=O)N[C@H](CC(N)=O)C3CC3)ccc21 72297861 GCNOJXDOFLZCHX-CYBMUJFWSA-N 351.428 0.393 0 40 FCAB CN(C)CCNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 78578450 ZVZNNBGWYMODJV-UHFFFAOYSA-N 368.503 0.055 0 40 FCAB CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(CC2CC2)CC3)C1=O 96036554 KQJFGASRHWUDCK-SFHVURJKSA-N 369.531 0.992 0 40 FCAB COCCN1CCOC[C@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 96160609 XPPIAEUUVCBYON-PBHICJAKSA-N 350.419 0.103 0 40 FCAB COc1cc(N2C[C@@H]3COC[C@]3(CNC(=O)c3cccnc3)C2)ncn1 96206656 ZKRCXQZWSWAJIT-KDOFPFPSSA-N 355.398 0.763 0 40 FCAB CN1CCN(C(=O)CCNC(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1 181632631 IRAHKRJINYYCKN-SFHVURJKSA-N 374.485 0.804 0 40 FCAB CNC(=O)[C@H]1COC2(CN(Cc3scnc3C)C2)CN1CC1CC1 248046994 QWUMLSGLORQGFG-CQSZACIVSA-N 350.488 0.863 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257258782 KVMONLWXUNWMHO-ZIAGYGMSSA-N 355.391 0.680 0 40 FCAB Cn1ccnc1-c1nnc2n(c1=O)CC[C@]21CCN(Cc2cccnc2)C1 306129413 ICGXEAQJPMMWFH-IBGZPJMESA-N 363.425 0.981 0 40 FCAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCCCO 408610866 UUZHUAVXYFSFOP-SECBINFHSA-N 350.824 0.514 0 40 FCAB CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ccccc1C 644173675 JUQFIGLWHVQVHN-OAHLLOKOSA-N 352.456 0.689 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CCO1 681942470 BLYTZMSIVBURKH-ZFWWWQNUSA-N 362.382 0.323 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cc4cccc(F)c4o3)C2)C1 685941626 DXVKHBUUVMPAIM-NSHDSACASA-N 359.357 0.991 0 40 FCAB O=C(CCc1ccc[nH]1)N1CC[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 1565546864 FRLOCUVQJOBJDF-IRXDYDNUSA-N 369.425 0.879 0 40 FCAB O=C(NC1CCC1)c1nnc2n1C[C@@]1(CCN(C(=O)c3cc[nH]n3)C1)OC2 1565554950 LRFQRTBKTAULHZ-KRWDZBQOSA-N 371.401 0.099 0 40 FCAB CN([C@H]1CCCN(c2ncnc3c2cnn3C)C1)S(=O)(=O)C1CC1 2086889493 ITSFFJWOWGKMBQ-NSHDSACASA-N 350.448 0.756 0 40 FCAB Cn1c(=O)[nH]c(=O)c2[nH]c(CN3CCN(c4ccc(F)cc4)CC3)nc21 2213772 WWLIFTIRZVYEBB-UHFFFAOYSA-N 358.377 0.411 0 40 FCAB COc1cccc(/C=C/C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 3423968 VAHFKDIQHFYXAU-UZYOAWRESA-N 367.423 0.897 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)c2ccccc2Cl)c(=O)n(C)c1=O 3452584 BLXMKACRKGGGGH-UHFFFAOYSA-N 351.746 0.359 0 40 FCAB COc1cc(C)nc(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)n1 3900217 XKAYMZCYMVPQEJ-UHFFFAOYSA-N 350.400 0.783 0 40 FCAB Cn1c(=O)c2c(nc(SCC(=O)N3CCCCCC3)n2C)n(C)c1=O 4162160 FJIXRKSAGDYWOL-UHFFFAOYSA-N 365.459 0.465 0 40 FCAB COc1ccc(Cn2c(NC[C@@H](C)O)nc3c2c(=O)n(C)c(=O)n3C)cc1 4785931 OUJRLKARUHHXPO-LLVKDONJSA-N 373.413 0.283 0 40 FCAB C[P@](=O)(O)N(CCN([P@](C)(=O)O)[P@](C)(=O)O)[P@](C)(=O)O 5360303 GYGFHOKBIHKDDB-UHFFFAOYSA-N 372.128 0.851 0 40 FCAB COc1ccc(Cn2c(SCC(N)=O)nc3nccnc3c2=O)cc1 6818557 ISEZKELCUGCRQY-UHFFFAOYSA-N 357.395 0.821 0 40 FCAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 8315232 ZMPLYQFVVNEBHL-MRXNPFEDSA-N 355.398 0.731 0 40 FCAB Cn1c(COC(=O)c2cc(Br)ccc2N)cc(=O)n(C)c1=O 9368282 FHKWYTWHBVESLK-UHFFFAOYSA-N 368.187 0.786 0 40 FCAB COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4C)CC2)cc1 13532459 OMQMRHAOYHCIRM-UHFFFAOYSA-N 353.386 0.729 0 40 FCAB O=C1CC[C@@H](NC(=O)CCn2nc(O)ccc2=O)[C@H](c2ccsc2)N1 19292559 QAFVFGWNRYQRJH-BZNIZROVSA-N 362.411 0.537 0 40 FCAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1nnc(-c2ccccc2)n1 19660723 OUAPYYWGINXKPC-INIZCTEOSA-N 362.393 0.779 0 40 FCAB CCOC(=O)C1=C(CSc2nnnn2C[C@@H]2CCCO2)NC(=O)NC1 30346988 MGCKEFKSZMEQPT-VIFPVBQESA-N 368.419 0.074 0 40 FCAB Cc1nc2c(c(C)c1CCC(=O)NCC(=O)NC(C)(C)C)c(=O)[nH]n2C 72301437 HFDOYGATSTZARA-UHFFFAOYSA-N 361.446 0.842 0 40 FCAB CCCCN1CCC(NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 72314621 JZLCIPDGWTUVBY-UHFFFAOYSA-N 371.445 0.982 0 40 FCAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(C)[C@@H]3CO)cc2)nn1C 72321472 MULSNCQNSSTZGO-NVXWUHKLSA-N 358.398 0.871 0 40 FCAB biogenic,in-vitro NC(=O)Cn1cccc(C(=O)NCc2ccccc2N2CCCC2)c1=O 72344599 BMTWAXOVRHHKGK-UHFFFAOYSA-N 354.410 0.864 0 40 FCAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2cc[nH]n2)C3)C[C@@H](C)O1 72346963 PHWISCQCZPTXAU-PHIMTYICSA-N 358.402 0.305 0 40 FCAB C[C@H]1COCCN1CCNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 95948169 OZAYJYOMQHZOGQ-ZDUSSCGKSA-N 355.460 0.387 0 40 FCAB O=C(c1ccco1)N1CCOC[C@@]2(CC[C@H](Cn3ncccc3=O)O2)C1 96160711 DPSMUIYKWWVXMQ-RDTXWAMCSA-N 359.382 0.927 0 40 FCAB CC[C@H](CN1CCN(C)CC1)NC(=O)CC1=NNC(=O)[C@H]2C=CC=C[C@H]12 100767684 KTADHUSRTUUTIQ-PMPSAXMXSA-N 359.474 0.363 0 40 FCAB COc1ccccc1O[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@H](O)[C@H]1NC(C)=O 247904382 BUZDTRJMALZTAY-OVYGPGRDSA-N 367.398 0.816 0 40 FCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)CC1 257202945 ANYVKRQQEBLNNL-GOSISDBHSA-N 363.462 0.367 0 40 FCAB COCC(=O)N1CCN(S(=O)(=O)c2cc(OC)cc(OC)c2)CC1 268928019 BLEIIFVYSVECCE-UHFFFAOYSA-N 358.416 0.183 0 40 FCAB CN(C)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)O)[C@H](C(=O)O)C2)c1 559136445 QWHVWYCYGSGEFY-CHWSQXEVSA-N 356.400 0.549 0 40 FCAB Cc1ccc(S(=O)(=O)N(CCN)[C@]2(C)CCS(=O)(=O)C2)c(C)c1 575425280 SQUFYJLCXAUMRB-OAHLLOKOSA-N 360.501 0.830 0 40 FCAB CO[C@@H]1CN(C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)[C@@](C)(CO)C1 634064528 SBCJUKGYEKMSMZ-BBATYDOGSA-N 356.382 0.788 0 40 FCAB CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(c2nccc3occc23)CCO1 662891920 VSLGVXWOIOEAEB-LLVKDONJSA-N 369.399 0.379 0 40 FCAB COc1ccc(C(=O)N2C[C@@H]3OCCS(=O)(=O)N(C)[C@@H]3C2)cc1OC 1534640210 TWZQLKPIBWDXGM-DOMZBBRYSA-N 370.427 0.189 0 40 FCAB O=S(=O)(c1ccc(-n2cnnn2)cc1)c1ccc(-n2cnnn2)cc1 1065627 SYUSBGZVYPXCLY-UHFFFAOYSA-N 354.355 0.471 0 40 FCAB COc1ccc(Cl)cc1NC(=O)C[C@H](NCCOCCO)C(=O)O 4357150 SIWFYYULMODNCP-LBPRGKRZSA-N 360.794 0.729 0 40 FCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccncc3)C(=O)[C@@H]12 10004027 NXEABDKDTVUFBG-MMQJMDILSA-N 372.333 0.347 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 12551818 BYXDLMXGHGKJPP-GJZGRUSLSA-N 362.451 0.832 0 40 FCAB C[C@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)NC(N)=O 21867908 SSKKSGSQTIVUKB-NSHDSACASA-N 360.370 0.530 0 40 FCAB O=S1(=O)CC[C@@H](N2CCN(Cc3nnc(-c4ccco4)o3)CC2)C1 23289803 UHGYPVKPKKPOQU-GFCCVEGCSA-N 352.416 0.634 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3cncn3)nc2)n(C)c1 24891132 WOQYBTPYNPTTNV-UHFFFAOYSA-N 361.387 0.161 0 40 FCAB COC[C@H](C)NC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 31451372 JZKTWNDMQFOQEP-QMMMGPOBSA-N 374.319 0.265 0 40 FCAB CS(=O)(=O)c1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 31612458 BWBJFZWNDVCKSH-VIFPVBQESA-N 351.833 0.660 0 40 FCAB CCOC(=O)N1CCN(C(=O)Nc2ccc(=O)n(CCOC)c2)CC1 47566498 ZHZQLFOPUNTXFO-UHFFFAOYSA-N 352.391 0.801 0 40 FCAB COc1ncccc1NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCOCC1 61720371 NVASWKSHRYULCI-AWEZNQCLSA-N 374.397 0.811 0 40 FCAB CC(C)CN1CCO[C@H](CNC(=O)Cn2cnc3ncccc3c2=O)C1 73698015 YPHJOMHOJQAAMI-CQSZACIVSA-N 359.430 0.265 0 40 FCAB CCN1C(=O)[C@@H]2CN([C@@H]3CCN(c4ccccc4F)C3=O)CCN2C1=O 75106002 LOWXQZDJABLOFV-CABCVRRESA-N 360.389 0.899 0 40 FCAB COC(=O)C1=C(C(=O)OC)[C@H]2C=C[C@H]1[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]21 102911963 PZQQPXJMBSEPSV-XOSVDHCLSA-N 364.350 0.554 0 40 FCAB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2cccn(C)c2=O)C1 225502370 DXNSCNCKPBGKNV-ZDUSSCGKSA-N 357.414 0.925 0 40 FCAB CC(C)CN[C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H]1O 225502688 HFYRCOSXQXJXGH-YYQUZTFQSA-N 357.472 0.825 0 40 FCAB biogenic,in-vitro Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 225600112 LZSQAHVFUBDLJA-UHFFFAOYSA-N 362.477 0.215 0 40 FCAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(c1cc(N(C)C)ncn1)C2 248116995 LUADUNDFGHMIPT-LBPRGKRZSA-N 351.476 0.712 0 40 FCAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)/C=C/C(=O)O)C2)c2cnccc2n1 257202677 AMVXWKIFTHMRAX-GNAXCBTBSA-N 370.409 0.979 0 40 FCAB CCOc1ncccc1C(=O)N(C)C[C@@]1(O)CCN(c2cnccn2)C1 257322417 WFWXFSUORBRUKQ-SFHVURJKSA-N 357.414 0.984 0 40 FCAB O=C(Nc1ccc(F)cc1F)N[C@H]1CO[C@@H](CN2CCOCC2)[C@@H]1O 514289284 PEFUEQZDUWBCPK-SOUVJXGZSA-N 357.357 0.547 0 40 FCAB biogenic,in-vitro CC(=O)N1CCC[C@H](C(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)C1 562326988 OZJQSGYIDFDVCT-HOTGVXAUSA-N 350.463 0.849 0 40 FCAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC(N2C(=O)COCC2=O)CC1 575607876 KRYGTPRJCCGQTM-GFCCVEGCSA-N 364.373 0.969 0 40 FCAB O=C1C[C@H]2[C@H](CCN2C[C@@H](O)CO)N1Cc1ccc(OC(F)F)cc1 585109172 YRZINFCHGOHDES-SNPRPXQTSA-N 356.369 0.816 0 40 FCAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)CNS(C)(=O)=O)C2)c1 585272041 KKBIYRHBGODXCG-INIZCTEOSA-N 356.444 0.277 0 40 FCAB O=c1ccc(-n2cncn2)nn1CC1CCN([C@H]2CCCC[C@@H]2O)CC1 585501005 VRWQBPWAZWEYMP-HOTGVXAUSA-N 358.446 0.840 0 40 FCAB Cc1ccc2c(CC(=O)N3CCS(=O)(=O)C[C@H]3C(=O)O)coc2c1 643431054 UFGRMBSENJJCBI-ZDUSSCGKSA-N 351.380 0.994 0 40 FCAB CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccnc(N3CCOCC3)c2)C1 1565541829 VLQMZYYVXXMYML-RCCFBDPRSA-N 374.485 0.986 0 40 FCAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]2O1 1565549976 LPLQMAVNKWAJSC-IAPUWKBBSA-N 357.410 0.919 0 40 FCAB Cn1cc(C(=O)N[C@@H]2CCO[C@]3(CCN(C(=O)[C@@H]4CCOC4)C3)C2)cn1 1565555349 YBVOOGHEOYFGJC-DDUZABMNSA-N 362.430 0.337 0 40 FCAB Cn1c(O)nc(N2CCN(c3nccc(N4CCCC4)n3)CC2)cc1=O 1889098056 BTKUBUOQQABZLH-UHFFFAOYSA-N 357.418 0.203 0 40 FCAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2nc(C)no2)C1 2055747789 VYUYQAXKIQCRQK-KRWDZBQOSA-N 361.377 0.889 0 40 FCAB CC(C)[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 1466603 FPEQJDJUZGRSSZ-BXUZGUMPSA-N 364.423 0.611 0 40 FCAB O=C(COC(=O)c1ccc(Br)o1)N[C@H]1CCS(=O)(=O)C1 5506931 BLEFQIYGXWNMDF-ZETCQYMHSA-N 366.189 0.502 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCO)C1 6844653 VHSYMMVVAIVWOL-CQSZACIVSA-N 370.471 0.903 0 40 FCAB CN1[C@@H](C(=O)N2CCOCC2)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 12129792 IQMZQHFAASKUJP-UONOGXRCSA-N 357.407 0.264 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCCCC2)C1 20039950 KIRHPEAZTVQBGU-HNNXBMFYSA-N 360.524 0.497 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc(-c2cccc(OC)c2)no1 21576772 NKOZSNKVHQUTIS-CYBMUJFWSA-N 360.370 0.609 0 40 FCAB CCN(CC(=O)NC(C)(C)C)C(=O)CCn1nnc2ccccc2c1=O 23570282 BSPTULVZSYYQCN-UHFFFAOYSA-N 359.430 0.945 0 40 FCAB CCCNC(=O)[C@H](C)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 23652925 NBNZZDGYBUANNX-LBPRGKRZSA-N 356.448 0.429 0 40 FCAB O=CN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)CC1 30872923 HUMQCUBSEJBLPF-UHFFFAOYSA-N 365.455 0.526 0 40 FCAB CC(=O)N[C@H]1[C@H](Oc2c[nH]c3cc(Cl)ccc23)O[C@H](CO)[C@H](O)[C@@H]1O 44167999 BPAUSWAPDXGBCS-IBEHDNSVSA-N 370.789 0.144 0 40 FCAB Cc1oc(-c2cccs2)nc1CN(CCO)[C@H]1CS(=O)(=O)C[C@@H]1O 79051880 NBACXKWVQNSFSO-STQMWFEESA-N 372.468 0.664 0 40 FCAB COC[C@@H](O)CN1CCC(NC(=O)NCCc2ncc(C)s2)CC1 89902151 GHMQTURYTWUNJH-AWEZNQCLSA-N 356.492 0.765 0 40 FCAB COC(=O)c1cccc(CCNC(=O)Cn2nc3n(c2=O)CCCCC3)c1 92032743 AWWOIQFYCYNPEL-UHFFFAOYSA-N 372.425 0.917 0 40 FCAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1ccncn1)C2 96077247 JEQJHBKZKAOWSL-SFHVURJKSA-N 352.398 0.716 0 40 FCAB CC(=O)Nc1nnc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)s1 225283271 AOSABGOTGHMBLM-SECBINFHSA-N 370.412 0.615 0 40 FCAB Cn1cc(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)COCC3)nn1 225581247 RIAHJWDINSZWIP-UHFFFAOYSA-N 356.308 0.669 0 40 FCAB COc1cc(N2Cc3ccnn3C[C@H](OCC(=O)N3CCCC3)C2)ncn1 247902374 RANHMKNGILHJCD-OAHLLOKOSA-N 372.429 0.710 0 40 FCAB CN(CC(=O)NC[C@@]1(O)CCN(c2ncccn2)C1)Cc1cccnc1 257203675 ARBUVIBRNSLCNB-SFHVURJKSA-N 356.430 0.061 0 40 FCAB CC(C)Cc1cc(C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)n(C)n1 257230425 GCGQWFYVTHEFOH-GOSISDBHSA-N 358.446 0.780 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)CN1CCOCC1 257248096 JCBUEVCBZRMALO-GFCCVEGCSA-N 356.448 0.199 0 40 FCAB Cc1c(Br)cccc1S(=O)(=O)N1CCOC[C@H]1C(N)=O 271843384 BTPPZFKVLVZZBF-JTQLQIEISA-N 363.233 0.632 0 40 FCAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 608033341 ZNVCBLPARCRPJV-MJBXVCDLSA-N 374.484 0.816 0 40 FCAB CN1CC(=O)N(CCCC(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)C1=O 680339507 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369.429 0.422 0 40 FCAB Cc1cc(CN2CC[C@@]3(Cc4c(N)nc(N)nc4O3)C2)cc(C(=O)O)c1O 257322018 WEHJBDGOFJHVND-GOSISDBHSA-N 371.397 0.933 0 40 FCAB Cn1c(=O)nc(O)c2cc(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cnc21 328848572 TUAZGHNQIGTXTE-SNVBAGLBSA-N 354.370 0.777 0 40 FCAB NS(=O)(=O)c1cnn(CC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)c1 566594916 PGGXJLGATSWKLJ-UHFFFAOYSA-N 362.411 0.310 0 40 FCAB Cn1ccnc(N2CCC[C@@H](NC(=O)NC[C@H]3CCCS3)C2)c1=O 569254722 DVMHYTQNJDHTPR-CHWSQXEVSA-N 351.476 0.944 0 40 FCAB O=C(CN1CCOCC1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585112605 RSFUHYDHTYADOK-SFHVURJKSA-N 370.453 0.994 0 40 FCAB Cc1ncnc(C(=O)N2CC3(C2)CN(S(C)(=O)=O)c2nccnc23)c1C 1565555585 DQUDGYDJNTYZBG-UHFFFAOYSA-N 374.426 0.057 0 40 FCAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)nn1C 1888879374 IPMPXQHULRWMKW-BETUJISGSA-N 366.429 0.614 0 40 FCAB COCCN1C(=O)CCC12CCC(NC(=O)Cn1ccccc1=O)CC2 2055819289 LGQSCCQHXAECHN-UHFFFAOYSA-N 361.442 0.915 0 40 FCAB Cn1nc2c(c1CN1CCO[C@@H](C(=O)N3CCSCC3)C1)CCC2 2298187900 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C[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)NC(N)=O 3548522 MYSOTKYDWGWNMF-LURJTMIESA-N 350.299 0.423 0 40 FCAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1nccnc1N 3567282 KFDLIKZTXDTMKR-UHFFFAOYSA-N 355.354 0.980 0 40 FCAB Cc1ccccc1-n1c(C)cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12 4303878 LRZAKOBOVPTGQG-UHFFFAOYSA-N 366.381 0.241 0 40 FCAB CCN(CC)C(=O)[C@@H](c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 6929310 ATCBIRWBJBAZPK-CQSZACIVSA-N 369.425 0.892 0 40 FCAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NC[C@@H]1CCCO1 12879974 LTCLUKBPOWZTIP-NSHDSACASA-N 362.411 0.921 0 40 FCAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(=O)[nH]c1 16695584 ILIRGEYHFXEMFQ-UHFFFAOYSA-N 351.384 0.886 0 40 FCAB COc1cccc(NC(=O)CSc2ncc(CO)n2CC(N)=O)c1 16960434 PJGKUFBAQRLGJZ-UHFFFAOYSA-N 350.400 0.600 0 40 FCAB CC(=O)N[C@@]12CCN(C(=O)Cc3ccc(F)cc3)C[C@@H]1CN(C(C)=O)C2 19711673 HPMDWQNWDMGZFJ-VQIMIIECSA-N 361.417 0.954 0 40 FCAB Cn1c(=O)n(C)c2cc(CCC(=O)Nc3nc(CC(N)=O)cs3)ccc21 19714254 HEQVFRRBAJDHAL-UHFFFAOYSA-N 373.438 0.933 0 40 FCAB COc1cccc2c(C)nc(NC3=NCN(N4CCN(C)CC4)CN3)nc12 20634385 KMKWMNQVVLYQPG-UHFFFAOYSA-N 370.461 0.697 0 40 FCAB CCN(Cc1cccc(F)c1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 30497642 QZWHXUGIEVWRLE-UHFFFAOYSA-N 355.391 0.434 0 40 FCAB Cc1ccc(C(=O)c2c(Cn3ccc(=N)cc3)n(C)c(=O)n(C)c2=O)cc1 36354604 CAELILPNNDFMSW-UHFFFAOYSA-N 364.405 0.953 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc2c(c1)OCO2 39985858 ZGGWZSMHPRQNMR-CYBMUJFWSA-N 354.428 0.541 0 40 FCAB NS(=O)(=O)c1cccc(NC(=O)CN2CCS[C@@H]3COCC[C@@H]32)c1 84379866 KVTXQFZDZQUJJV-UONOGXRCSA-N 371.484 0.479 0 40 FCAB C[C@@H](CN1CCOCC1)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 96005203 KGFOSDYZPUXUEB-ZDUSSCGKSA-N 359.492 0.028 0 40 FCAB Cn1ccnc1CN1CC[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 96062370 BWOCSHRMTMPXGW-GOSISDBHSA-N 356.430 0.575 0 40 FCAB Cn1cccc1C(=O)N1CCO[C@]2(COCCN(c3ncccn3)C2)C1 96229495 QUEQNFIDRZVGCC-GOSISDBHSA-N 357.414 0.563 0 40 FCAB O=C(c1ccncc1)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 247808554 CUZGVMXGEKBXNG-AWEZNQCLSA-N 374.422 0.580 0 40 FCAB O=C(c1ccncn1)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 247885344 WXMRSFXYNXVKCZ-ZDUSSCGKSA-N 374.422 0.580 0 40 FCAB Cc1noc(C)c1C(=O)N1Cc2cncn2[C@H](CNS(C)(=O)=O)C1 251975159 DDNAGJFLKQTACA-GFCCVEGCSA-N 353.404 0.234 0 40 FCAB Cc1noc(C)c1CCC(=O)N1CC(S(=O)(=O)c2nncn2C)C1 252498171 QVZHOSYEJTVRRD-UHFFFAOYSA-N 353.404 0.037 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3nccn3C)n2)C1 257308224 TVXGEVBVZGNXOR-ZDUSSCGKSA-N 364.475 0.938 0 40 FCAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)c1n[nH]c2c1CCC2 257338009 YVKKNJQDEDCWHL-GOSISDBHSA-N 356.430 0.792 0 40 FCAB O=C(c1cnccn1)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 306139579 TVGYTRDEZOBWPU-CYBMUJFWSA-N 374.422 0.580 0 40 FCAB CO[C@H]1[C@H](C(=O)N(C)C)CC[C@H]1N(C)C(=O)/C=C/CN1CCOCC1 585290810 GPDYKOZTVVJYIK-HDDWDUMVSA-N 353.463 0.215 0 40 FCAB Cc1cccc(F)c1S(=O)(=O)N1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 625313329 KKHFHHLBMIFAEO-ZIAGYGMSSA-N 355.391 0.680 0 40 FCAB COCCN1CCN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C[C@@H]1C 654638459 CVUVPPCBNKLNHU-QWHCGFSZSA-N 352.439 0.518 0 40 FCAB Cc1nn(C)c(=O)c(C(=O)NCc2ccncc2O[C@H]2CCNC2)c1C 685941111 ROWHQQVUVNKWBJ-AWEZNQCLSA-N 357.414 0.463 0 40 FCAB CC(=O)Nc1ccc(C(=O)N2Cc3nnc(C)n3C[C@H]2CN(C)C)nc1 685942384 KAHURTCPRDBJBE-CQSZACIVSA-N 357.418 0.526 0 40 FCAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)[C@@H]4C[C@H]4C)C[C@@H]23)n1 1549162933 WZCQTPYPCWGYQF-MRVWCRGKSA-N 357.414 0.663 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@]1(OCCO)CCSC1 1565520564 ZQSNNBMYXFZJOS-INIZCTEOSA-N 352.412 0.595 0 40 FCAB COc1cnc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)nc1 1565552726 UOCBDRAUMUGJNL-IRXDYDNUSA-N 369.425 0.996 0 40 FCAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)CCS(C)(=O)=O)C[C@@H]21 2055750539 BEOWKMASJGTGFY-GJZGRUSLSA-N 371.459 0.138 0 40 FCAB COc1ccc(N[C@]2(Br)C(=O)NC(=O)N[C@@H]2C(=O)O)cc1 1693967 VHKVZOFKXILBSO-PELKAZGASA-N 358.148 0.491 0 40 FCAB Cc1csc(=O)n1CCC(=O)OCC(=O)NC(=O)NCc1ccco1 7988169 WDGCXDDTWAJDRD-UHFFFAOYSA-N 367.383 0.771 0 40 FCAB O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1 9569941 IPDYQTLYMFELGB-UHFFFAOYSA-N 355.435 0.804 0 40 FCAB COc1cc2oc(=O)c(CC(=O)NC[C@H](O)CO)c(C)c2cc1Cl 13628323 ABRIWMCUYMFKRH-VIFPVBQESA-N 355.774 0.775 0 40 FCAB Cc1cc(-c2nnc(NC(=O)C3CCN(S(C)(=O)=O)CC3)o2)n(C)n1 13705122 GLDGKMILNJXQSN-UHFFFAOYSA-N 368.419 0.389 0 40 FCAB COc1ccc(N2C(=O)C[C@H](SC[C@H](NC(C)=O)C(=O)O)C2=O)cc1 16899765 IOABLRHPBJKSMW-STQMWFEESA-N 366.395 0.650 0 40 FCAB CN(c1ccc(OCC(=O)NCCO)cc1)S(=O)(=O)c1ccccc1 19937816 QODQBWKTRRIDKR-UHFFFAOYSA-N 364.423 0.999 0 40 FCAB CCCCn1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1=O 25990309 AZYPOMRFXQIBOK-UHFFFAOYSA-N 361.402 0.943 0 40 FCAB CSc1ccccc1NC(=O)Cn1c(=O)c(N(C)C)c(N)n(C)c1=O 32739575 AVNWDURMHXRUHR-UHFFFAOYSA-N 363.443 0.556 0 40 FCAB NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CSc1ncn[nH]1 36646209 ASQLSVRFJYHZRG-UHFFFAOYSA-N 358.387 0.274 0 40 FCAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NC[C@H]1CCCO1 39266255 KAONKMAENHTYTE-CJNGLKHVSA-N 357.410 0.933 0 40 FCAB biogenic CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)NC)cn2C)C1 41972046 LTQJCTZIHMZALV-LLVKDONJSA-N 357.432 0.349 0 40 FCAB COC(=O)[C@H](O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 95453151 KJEZRGXEAJLTEW-OLZOCXBDSA-N 352.387 0.903 0 40 FCAB CCOC(=O)[C@@H](C(C)C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 95996067 MNLVTCTVXNDJRZ-CQSZACIVSA-N 359.448 0.710 0 40 FCAB COc1ccccc1N1CCN(C(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)CC1 101944321 DVRGCYXXWBWGPY-QAETUUGQSA-N 358.394 0.998 0 40 FCAB O=C(NCc1cccs1)N1CCN(S(=O)(=O)c2cnc[nH]2)CC1 223810836 KFBRDJOQLSEXFE-UHFFFAOYSA-N 355.445 0.687 0 40 FCAB Cc1cc(O)nc([C@@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)n1 257218449 DDFFURGZXYPXIU-ZDUSSCGKSA-N 356.448 0.288 0 40 FCAB CN(C)CCn1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)n1 569375739 CBGFUILDELQCCX-UHFFFAOYSA-N 365.459 0.746 0 40 FCAB O=C(c1cnccn1)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585095845 PBUMPYMOPNRNRT-CQSZACIVSA-N 356.386 0.814 0 40 FCAB CN1C(=O)C(c2[nH]c(O)nc2-c2ccc3c(c2)OCO3)C(=O)N(C)C1=O 604404115 JSUOYIGPSASSDB-UHFFFAOYSA-N 358.310 0.645 0 40 FCAB biogenic C[C@@H](C(=O)N1CCC(Oc2cnccn2)CC1)n1cnc2c(N)ncnc21 614126658 RVILTCWSMVYSCK-NSHDSACASA-N 368.401 0.830 0 40 FCAB CC(=O)c1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2c(C)noc2C)n[nH]1 2055747749 SZIPORXLCZBIPC-DLBZAZTESA-N 373.413 0.943 0 40 FCAB COc1ccc(N2C[C@@H](NC(=O)N3CCN(C(C)=O)CC3)CC2=O)cc1 4373631 ORENMEARZLIHMO-AWEZNQCLSA-N 360.414 0.674 0 40 FCAB O=C(NCCO)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 4519290 QANSQPBQYRIRJN-LLVKDONJSA-N 372.424 0.081 0 40 FCAB Cc1nnc(SCC(=O)Nc2ccc(OC(F)F)cc2)n(N)c1=O 4854903 FOCKRQULBWBHEE-UHFFFAOYSA-N 357.342 0.993 0 40 FCAB CCCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]c1=O 9612727 GOVFOLQQMMVCBQ-UHFFFAOYSA-N 371.444 0.360 0 40 FCAB CCOC(=O)N1CCN(C(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)CC1 9829366 USYLHHUMTYAOMB-UHFFFAOYSA-N 366.403 0.039 0 40 FCAB O=C(CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)NC1CC1 13267422 UAZNOBGIKDOMJQ-UHFFFAOYSA-N 350.444 0.461 0 40 FCAB CC(C)NC(=O)CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 17810234 VGBSOUTXZIBERQ-UHFFFAOYSA-N 358.398 0.577 0 40 FCAB C[C@H]1C[C@@H]1C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N(C)C 22770220 WTTOAEJZUOBECC-AAEUAGOBSA-N 354.428 0.752 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)OCC(=O)c2ccc3c(c2)OCO3)CC1 24118925 BNTHLFISMNNWOW-UHFFFAOYSA-N 369.395 0.813 0 40 FCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 29197264 IGYKEYPLURDKAI-AWEZNQCLSA-N 363.443 0.480 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)CCn2c(=O)oc3ccccc32)CC1 32771016 DYQHNCVRSKTRTQ-UHFFFAOYSA-N 367.427 0.525 0 40 FCAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCCO 33574662 TWUPHDAYQAVUQE-UHFFFAOYSA-N 362.835 0.612 0 40 FCAB COc1ccccc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1 38717745 XJXHWUYNWHUMHO-UHFFFAOYSA-N 363.395 0.598 0 40 FCAB Cc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCN2CCOCC2)C3)cc1 57531465 YJQDANVURJYVKM-KRWDZBQOSA-N 356.426 0.777 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCn1cnc2ccccc21 58426251 ZEOYHAYBTGECII-UHFFFAOYSA-N 363.377 0.856 0 40 FCAB O=C(CN1CCC2(CC1)Nc1ccccc1C1=NCCN12)N1CCOCC1 72327093 JMFCYABEIHVBIQ-UHFFFAOYSA-N 369.469 0.825 0 40 FCAB CCS(=O)(=O)N1CCC(Nc2cc(-n3cccn3)nc(N)n2)CC1 92887032 NNMOUMBRWRDNQK-UHFFFAOYSA-N 351.436 0.471 0 40 FCAB CN(C)C(=O)c1cc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cn1C 95460028 FPOLWKXFSSNQEK-ZDUSSCGKSA-N 365.459 0.777 0 40 FCAB CC(=O)[C@@]12[C@@H]3[C@H]4[C@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@]41Br)C21OCCO1 101405269 FCTNJUJIKYLXCW-VWPLANBASA-N 369.211 0.947 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C)cc2C)CCN1Cc1ccccc1 257200694 AENHGLWJHQGOHR-SFHVURJKSA-N 369.469 0.959 0 40 FCAB Cc1cnn(CC(=O)N2C[C@@H]3OCC(=O)N(Cc4ccccc4)[C@H]3C2)c1 257316724 VGSCYYXVYBHWHF-IRXDYDNUSA-N 354.410 0.830 0 40 FCAB NC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(F)ccc1Br 272006529 SXKNBLSZGPFXCE-SECBINFHSA-N 367.196 0.463 0 40 FCAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)COC)c1ccc2c(c1)OCO2 408706197 WZNGCQOICLUPKZ-NSHDSACASA-N 358.416 0.723 0 40 FCAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)C1 582943472 RCFMBFQJBFIKAX-LZQZFOIKSA-N 370.393 0.869 0 40 FCAB CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)CC1 583615066 WBJKASZAQNJVKM-AWEZNQCLSA-N 373.413 0.746 0 40 FCAB O=C(NC1CS(=O)(=O)C1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2nccs2)C1 585108736 PDJICEZNFHYSAV-CYZMBNFOSA-N 371.484 0.036 0 40 FCAB O=C(CCc1ccc(F)cc1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 585287744 DHZLRARDPSXASE-NUJGCVRESA-N 352.406 0.023 0 40 FCAB Nc1n[nH]c(C2CCN(C(=O)Cc3ccc(-n4cnnc4)cc3)CC2)n1 614987971 WFAAUUJXECZNAV-UHFFFAOYSA-N 352.402 0.916 0 40 FCAB CCN1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)c2)[C@@H]1c1cnn(C)c1 618144139 PGHHAXWLJPCJSU-RDJZCZTQSA-N 359.430 0.311 0 40 FCAB COCCN1CC2(CCN(C(=O)c3ncn(C)n3)CC2)C[C@H]1COC 1614945771 ZHPRJHFAQCURLW-AWEZNQCLSA-N 351.451 0.405 0 40 FCAB Cc1nc(N2C[C@@H]3CN(C(=O)c4cc(C)n(C)n4)C[C@H]3C2)nc(O)c1F 1888860224 COJCPLPLBLHCOQ-RYUDHWBXSA-N 360.393 0.880 0 40 FCAB NC(=O)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 3628860 QHDQHXJTONZPKP-UHFFFAOYSA-N 355.397 0.234 0 40 FCAB Cc1cccc(OC[C@@H](O)Cn2c(N(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 4317881 MOVQMAFPDMOZPM-LBPRGKRZSA-N 373.413 0.238 0 40 FCAB CCOC(=O)/C=C(/N/C(=C/C(=O)OCC)C(=O)OCC)C(=O)OCC 5002823 IVRARWVUWMJPIA-WGDLNXRISA-N 357.359 0.596 0 40 FCAB CN(C(=O)COC(=O)C1(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 7489675 DEVILPRMFRXTKJ-CQSZACIVSA-N 351.424 0.907 0 40 FCAB Cc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1S(=O)(=O)N1CCOCC1 7653902 IEIUTRBQFWHVNF-CYBMUJFWSA-N 369.395 0.488 0 40 FCAB CCOC(=O)N1CCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1 12606609 BMEUOSFNPCHRQG-UHFFFAOYSA-N 374.397 0.381 0 40 FCAB CCc1ccc(OC[C@@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 12629921 ACGWTFUPXQMZLL-ZDUSSCGKSA-N 358.398 0.436 0 40 FCAB Cc1cccc(OCCN(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 15364248 XZLHIXCIKGYQBM-UHFFFAOYSA-N 367.427 0.092 0 40 FCAB COC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc(C(N)=O)c1C 23477192 RJAPPPJWKAGHIZ-UHFFFAOYSA-N 354.432 0.128 0 40 FCAB Cc1nc2sc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)c(C)c2c(=O)[nH]1 25049327 UNMYSXDKRHVHQH-AWEZNQCLSA-N 355.441 0.908 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC(N)=O)CC2)c1 37189581 DOLYNCNOQXAEOW-ZDUSSCGKSA-N 368.459 0.193 0 40 FCAB CN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)[C@@H]1CCS(=O)(=O)C1 40267911 PWTKEHCVTQONEF-CQSZACIVSA-N 361.423 0.556 0 40 FCAB C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1nc2ccccc2[nH]1 43834154 KUTNHZYDUHHOPQ-NSHDSACASA-N 351.432 0.911 0 40 FCAB O=C(CNC(=O)COc1ccc2c(c1)CCC(=O)N2)NCC(F)(F)F 57009102 SAUHWHJYEGKTQF-UHFFFAOYSA-N 359.304 0.745 0 40 FCAB CN1CCN(C(=O)[C@@H]2Cc3c(ncn3C)N(Cc3ccccc3)C2=O)CC1 96147062 NNTWCQGRFYBXOA-INIZCTEOSA-N 367.453 0.900 0 40 FCAB Cc1noc(-c2cccn3c(CNC(=O)c4ccc(=O)[nH]n4)nnc23)n1 225747259 PEUGEFXSZVIIRP-UHFFFAOYSA-N 352.314 0.101 0 40 FCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)[C@H]2C[C@H]2C)C3)n1 306134111 NDRFZQHXNNABTM-XBFCOCLRSA-N 365.455 0.836 0 40 FCAB Cc1nc(CN2CCN(C(=O)[C@H]3COCCN3C3CCCC3)CC2)n[nH]1 526004208 CZEDMJLWJNBOPX-MRXNPFEDSA-N 362.478 0.401 0 40 FCAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C2 575402374 BQSFORFZNYJEDN-LLVKDONJSA-N 364.471 0.703 0 40 FCAB Cn1nc(C(=O)N2CCC[C@H](n3cnc4ccccc4c3=O)C2)ccc1=O 575618489 WEOXDXVKKJWBBI-ZDUSSCGKSA-N 365.393 0.968 0 40 FCAB CN1CC[C@@H](NC(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)C1=O 583621770 LHUWMXAGVCLSCU-HUUCEWRRSA-N 374.445 0.390 0 40 FCAB CNC(=O)C[C@@]1(COC)CN(C(=O)c2cccc(COC)c2)CCO1 585278150 LYSIYCZTXVLNAY-SFHVURJKSA-N 350.415 0.827 0 40 FCAB CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@@H]1CCc3c(nnn3C)C1)CC2 654523690 ZCIRSRKLEXVIHA-NEPJUHHUSA-N 358.450 0.702 0 40 FCAB COc1cc(C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)on1 1565555443 IAZQCUBGPFMCAK-SFHVURJKSA-N 371.397 0.642 0 40 FCAB CCCc1ccc(C(=O)NC[C@]2(c3nccn3C)NC(=O)NC2=O)cc1 1616035182 NYOJTQXYBZTSCD-GOSISDBHSA-N 355.398 0.837 0 40 FCAB O=C(NC[C@H]1CC[C@]2(COCCN(C(=O)C3CC3)C2)O1)c1ccnnc1 2055793510 MXYQWBVBFZHNFQ-QAPCUYQASA-N 360.414 0.393 0 40 FCAB CSCC[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)C(C)C)CC1)C(=O)O 2137766 NSYDRBQQNHDHTR-STQMWFEESA-N 359.492 0.531 0 40 FCAB biogenic CCn1cc(Cl)c(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@H]23)n1 2758597 TUZZVMZSOPUQRP-NOZJJQNGSA-N 370.818 0.929 0 40 FCAB CN(C)c1ccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 4507074 KWRRYHJZAQQYHZ-AWEZNQCLSA-N 354.428 0.555 0 40 FCAB CC1(C)Cc2c(sc(NC(=O)C(=O)NCCCN)c2C(N)=O)CO1 6759059 IUDXQLYVQYKZJT-UHFFFAOYSA-N 354.432 0.102 0 40 FCAB O=C(Cn1cnc2sccc2c1=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 9376812 VAXJVNAMAGSFLZ-NSHDSACASA-N 367.452 0.636 0 40 FCAB CCOC(=O)/C=C/C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 10746942 HPBKLPAPMWMVPM-BQYQJAHWSA-N 353.352 0.494 0 40 FCAB CC[C@H](CO)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(OC)cc1 12233875 SBSFEZWQAKVNDU-LLVKDONJSA-N 359.386 0.299 0 40 FCAB Cc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 12522331 NFJFLGPVNHLBAJ-UHFFFAOYSA-N 374.422 0.763 0 40 FCAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)NCC(=O)O)ccc12 12901873 GANCLALWWJAUSE-JTQLQIEISA-N 362.338 0.186 0 40 FCAB biogenic CN1CCN(c2cc(C(=O)NCc3ccc4[nH]c(=O)[nH]c4c3)ccn2)CC1 19590090 MRTXTYKHTICXFG-UHFFFAOYSA-N 366.425 0.933 0 40 FCAB O=C(CN1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1)NC1CC1 20952279 HVCLZDFMQVWOSY-UHFFFAOYSA-N 369.469 0.519 0 40 FCAB O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 44456586 LKSNHNPHHNEYTH-NWDGAFQWSA-N 354.403 0.730 0 40 FCAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@H](C(N)=O)C2)C1=O 75568199 SOXQHXDWRQTPFH-SGTLLEGYSA-N 358.398 0.178 0 40 FCAB CNC(=O)CN1CCN(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1 79067879 XMGJRYWQJKBOFP-UHFFFAOYSA-N 356.430 0.827 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2cccnc2)C[C@@]2(CNC(=O)C2)C1 96036010 FJNXPCDOZDTKNN-GOSISDBHSA-N 359.430 0.464 0 40 FCAB Cc1nonc1CC(=O)N1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 100754129 NYWSUYWLBAOVTL-LRDDRELGSA-N 370.413 0.836 0 40 FCAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCCCn2ccnc2)c2ccccc21 101432191 QCUNBVRJYFEGII-HNNXBMFYSA-N 355.398 0.613 0 40 FCAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)s1 225844661 DZINZJUFDFBARK-UHFFFAOYSA-N 369.428 0.999 0 40 FCAB O[C@](Cn1cnnc1)(Cn1cncn1)c1ccc(-n2cncn2)cc1F 226823364 DPOBQQRESAJPPE-OAHLLOKOSA-N 355.337 0.177 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1C(N)=O 244986062 JDTSNHPYXUCREV-ONERCXAPSA-N 370.427 0.409 0 40 FCAB O=S(=O)(NC[C@@H]1CO[C@@H]2CN(c3ncccn3)C[C@@H]21)c1ccccc1 245482577 RRWHBYPDJJTPJX-FVQBIDKESA-N 360.439 0.906 0 40 FCAB Nc1nccnc1[C@H]1CN(C(=O)c2cccc(-n3cnnc3)c2)CCO1 257208076 BKQFADWPSNEEMF-CQSZACIVSA-N 351.370 0.853 0 40 FCAB COCC(=O)NC[C@]1(O)CCN(Cc2ccc(OCCF)cc2)C[C@H]1O 257266494 MDGCSECNJZPXHM-SJLPKXTDSA-N 370.421 0.095 0 40 FCAB CCN(CC)C(=O)CN1CCC2(CC1)C[C@H](NC(C)=O)[C@@](C)(O)CO2 257285382 PGVFNMNUIDJGSY-RDJZCZTQSA-N 355.479 0.365 0 40 FCAB CCn1cc(CN2CCOC[C@@H]2c2[nH]ncc2S(C)(=O)=O)c(C)n1 257337921 YVASVLODRGGMSK-CYBMUJFWSA-N 353.448 0.912 0 40 FCAB CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 298076482 NBUOMJXJRUSBKG-ZDUSSCGKSA-N 355.460 0.526 0 40 FCAB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2nn(C)cc2Br)C1 643812655 QHRCNAMYKDHBEU-AWEZNQCLSA-N 359.268 0.988 0 40 FCAB COCCN1CC2(CCC1=O)CCN(C(=O)c1cccn(C)c1=O)CC2 1565545859 MVXYJBDCTUGMAO-UHFFFAOYSA-N 361.442 0.877 0 40 FCAB C[C@@H]1CN(S(=O)(=O)N(C)C)C[C@]12CCN(Cc1cccnc1)C2=O 2055708159 SXGMAHBDTCQVFH-CZUORRHYSA-N 352.460 0.558 0 40 FCAB COc1cc(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NC(C)C)n43)C2)on1 2055793462 HLOUEHUWFYJGSZ-QGZVFWFLSA-N 374.401 0.601 0 40 FCAB CC[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 9367282 GRKONHIZVWQTJZ-ZDUSSCGKSA-N 369.425 0.744 0 40 FCAB O=C(COC(=O)CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccon1 10375150 VINYAQPEOMRSTJ-UHFFFAOYSA-N 365.323 0.001 0 40 FCAB CCOCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(OC)cc1 12233882 PNEGLFYJYZYALU-UHFFFAOYSA-N 373.413 0.955 0 40 FCAB CCN1CCC(NC(=O)CSc2nnc(CCC(N)=O)n2CC)CC1 12986587 BYQJNQIYMHSCMK-UHFFFAOYSA-N 368.507 0.409 0 40 FCAB COCCNc1nc2c(c(=O)n(Cc3ccc(OC)cc3)c(=O)n2C)n1C 13116156 BGIRAFBONCUVFU-UHFFFAOYSA-N 373.413 0.549 0 40 FCAB biogenic C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)CN2CCOCC2)CC1 58218849 PLAKETMBMWYFQD-AWEZNQCLSA-N 365.478 0.905 0 40 FCAB Cc1cc(NC(=O)c2c[nH]c(=O)n(Cc3ccc4c(c3)OCO4)c2=O)on1 77099874 VJFSWRXHQZJNKE-UHFFFAOYSA-N 370.321 0.862 0 40 FCAB Cc1cc(S(=O)(=O)NCCCN2CCNC(=O)C2)c(Cl)cc1F 95454395 UCCUXYVJUFZGQQ-UHFFFAOYSA-N 363.842 0.888 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C(=O)O 95969635 RRWONQIPIBQMEK-PWSUYJOCSA-N 372.447 0.169 0 40 FCAB O=C(NC[C@H]1CCCO1)C1=NO[C@]2(CCN(C(=O)c3ccccn3)C2)C1 96225649 OVEQUQFZMXMVOW-FZKQIMNGSA-N 358.398 0.738 0 40 FCAB Cc1cccc(N2CCOC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CO3)n1 96240211 PCSBWMRUFYERDZ-GOSISDBHSA-N 357.414 0.762 0 40 FCAB Cc1nn(C)cc1NC(=O)CN1CCN(Cc2ccccc2)C[C@@H]1C(N)=O 257230457 GCLVBRWOESZOHJ-QGZVFWFLSA-N 370.457 0.339 0 40 FCAB CN1CCN(C[C@@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1 257239613 HQCUFABODWPSIW-LJQANCHMSA-N 361.490 0.503 0 40 FCAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(CC(=O)N=c2cc[nH]cc2)C1 548336225 BNXUCTMUSGJRIH-KRWDZBQOSA-N 359.455 0.944 0 40 FCAB COc1ccccc1S(=O)(=O)N1CC(N2CCC(C(N)=O)CC2)C1 575611425 XNQWGDOSIBIFBQ-UHFFFAOYSA-N 353.444 0.265 0 40 FCAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@@H](c2nccn2C)C2CC2)C1 585123276 UDEORQOHMRPYKB-TZMCWYRMSA-N 369.491 0.842 0 40 FCAB Cc1nnc2ccc(N3CC(N(C)C(=O)c4cccn(C)c4=O)C3)nn12 585607207 OCPFUKBSKODVJX-UHFFFAOYSA-N 353.386 0.092 0 40 FCAB CCN(C)C(=O)c1cccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)c1 667093933 HKKASEFRGMWIKP-KGLIPLIRSA-N 369.443 0.712 0 40 FCAB Cn1cnc(S(=O)(=O)N2C[C@@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1 1258995670 VMLIHQMMIFLIGQ-STQMWFEESA-N 366.468 0.874 0 40 FCAB CC(=O)N[C@@H]1CN(c2ccc(N3CCCC3)nn2)C[C@H]1c1nccn1C 1615548739 IOTWSTPKYXNILV-HUUCEWRRSA-N 355.446 0.919 0 40 FCAB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(C(=O)Cn2ccccc2=O)C1 2055771494 CLIVRCXABCSGMR-GOSISDBHSA-N 357.414 0.151 0 40 FCAB CS(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 2474908 VQBNKWFVNOHIDW-UHFFFAOYSA-N 367.408 0.787 0 40 FCAB COc1ccc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1OC 2616270 AJHDECKPZUXLPW-UHFFFAOYSA-N 364.354 0.760 0 40 FCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1cccs1 3408725 NUJLYWMDQYFVSD-FYJFLYSWSA-N 356.469 0.913 0 40 FCAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 3504271 IUTZFQOZALBGMU-INIZCTEOSA-N 360.410 0.850 0 40 FCAB O=C(COC(=O)c1ccccc1NCCO)NC(=O)NCc1ccco1 5278486 PTRANUNDGLRHNH-UHFFFAOYSA-N 361.354 0.867 0 40 FCAB O=C(Cn1c(=O)cnc2ccccc21)N(C1CC1)[C@H]1CCS(=O)(=O)C1 12623681 ZVPNRYVKMUFFCS-ZDUSSCGKSA-N 361.423 0.575 0 40 FCAB O[C@@H](c1nc2ccccc2[nH]1)[C@H](O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 18254317 UGRBLAMMQLLLQF-QKPAOTATSA-N 354.366 0.928 0 40 FCAB Cc1cc2nc([C@H](NC(=O)[C@@H]3CCS(=O)(=O)C3)C(C)C)cc(O)n2n1 19129447 NBDLZVKRQMVTKN-IAQYHMDHSA-N 366.443 0.991 0 40 FCAB COCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 20566275 RZAJZQDWKRVDQO-GNEJLTCGSA-N 357.410 0.690 0 40 FCAB Cc1ccc(C(=O)NCCNC(=O)c2nc3ccccc3c(=O)[nH]2)cn1 20745038 GRKVNQYVNUQWNZ-UHFFFAOYSA-N 351.366 0.786 0 40 FCAB CCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1S(=O)(=O)N(C)C 24329303 VIABLBMZQOMHDL-NSHDSACASA-N 355.416 0.553 0 40 FCAB CN1CCN(C(=O)CN(C)C(=O)CN2C(=O)CCOc3ccccc32)CC1 24774873 WZYGSUNIEZBAAV-UHFFFAOYSA-N 374.441 0.035 0 40 FCAB O=C(CCC(=O)N1CCOCC1)NCCOc1ccc2c(c1)OCO2 40121774 YYRURPZIZFJCJP-UHFFFAOYSA-N 350.371 0.549 0 40 FCAB CCCS(=O)(=O)NC1CCN([C@@H](C)C(=O)Nc2ncccn2)CC1 69776394 DJFQZRUSSHPKHG-LBPRGKRZSA-N 355.464 0.597 0 40 FCAB CCn1cc([C@H]2C[C@@H](C(=O)NCC(C)C)N(C)S(=O)(=O)N2)c(C)n1 72335028 FYCINRZHNAGUDG-KGLIPLIRSA-N 357.480 0.563 0 40 FCAB O=C(Cc1noc2ccccc12)NCCn1nc(-n2ccnc2)ccc1=O 75163014 DAUVUFYVOUFLLH-UHFFFAOYSA-N 364.365 0.929 0 40 FCAB CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CCN(CC2CCCC2)C1 79097189 ITPGUDYULHVBTP-OAHLLOKOSA-N 361.508 0.323 0 40 FCAB O=C([C@@H]1COCC(=O)N1Cc1cccs1)N1CCC2(CC1)OCCO2 85472522 OMVFSEJODLVTQE-AWEZNQCLSA-N 366.439 0.841 0 40 FCAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC(=O)N(Cc2ccccc2)C1 89499665 DHFQNTJTECOBQK-UHFFFAOYSA-N 365.393 0.702 0 40 FCAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H]1CCS(=O)(=O)C1 95532371 WVURKANUPLFKBG-YGRLFVJLSA-N 350.396 0.715 0 40 FCAB CCN1CCN(C[C@H](C)CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 97001906 TXNHXGJQNHPVGG-CQSZACIVSA-N 372.469 0.916 0 40 FCAB CCOc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(CC)C3=O)cc1 98213029 VMQDFOMJOWDSEU-UHFFFAOYSA-N 359.386 0.558 0 40 FCAB C[C@](O)(CNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 101137482 KMVHOFPAMDPLNQ-FXDMSUAQSA-N 354.406 0.817 0 40 FCAB Cc1cc(C)c(N(C[C@H](O)CN[C@H](C)C(=O)O)S(C)(=O)=O)c(C)c1 230239304 NWHBZSVGBYFZQO-ZIAGYGMSSA-N 358.460 0.801 0 40 FCAB CC(=O)N1C[C@@H](C(=O)O)CN2CCN(C(=O)Cc3ccccc3)C[C@H]2C1 247951396 QRBCAJKOJOAGHB-IRXDYDNUSA-N 359.426 0.305 0 40 FCAB CCn1ncc(S(=O)(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)c1C 257231080 GFDHRMIPXBDIQV-IIAWOOMASA-N 356.492 0.868 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 261686254 NDMMJDHWWOPQLL-CQSZACIVSA-N 354.428 0.470 0 40 FCAB Cc1c([C@H]2CNC[C@@H]2C(=O)N2CCN(c3ncccn3)CC2)cnn1C 649276508 CJRNNLOHEDXFOU-CVEARBPZSA-N 355.446 0.170 0 40 FCAB Cc1cn2nc(C(=O)N3CCN[C@@H](Cc4ccccc4)C3)cc2c(=O)[nH]1 1586883818 QVHONBNYRKABAL-HNNXBMFYSA-N 351.410 0.988 0 40 FCAB NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NCc1ccc(O)cc1 1631516838 KKXGIIQAFLRMGK-OAHLLOKOSA-N 359.357 0.822 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccn(C)n5)C[C@@H]4C3)nn12 1888904099 PLBCHJBEAJQTTM-STQMWFEESA-N 366.429 0.629 0 40 FCAB CNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(C)cc1 4519080 SARBATRJASEBGT-CQSZACIVSA-N 350.396 0.965 0 40 FCAB CCCn1nnnc1COc1ccc(S(=O)(=O)N2CCOCC2)cc1 8198002 DSFMFZMVEOERKS-UHFFFAOYSA-N 367.431 0.683 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)[C@H](C)O)cc1 14113947 PUNTWIZGFFIQQM-SMDDNHRTSA-N 372.443 0.369 0 40 FCAB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)c1nc(N)nc(N(C)C)n1 14124315 WYQFGPOBRRDARM-SECBINFHSA-N 365.415 0.841 0 40 FCAB CCCN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 14251075 AXVMXWOFBIBBAJ-WBMJQRKESA-N 371.459 0.133 0 40 FCAB Cc1ncncc1C(=O)N[C@H](c1cc(=O)[nH]c(N2CCOCC2)n1)C(C)C 19553017 OWCPDUOEQUTHSQ-INIZCTEOSA-N 372.429 0.832 0 40 FCAB C[C@@H]1C[C@H]1C(=O)NCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 30582594 NBCOVAHJWGOUGV-NVXWUHKLSA-N 372.469 0.219 0 40 FCAB NC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3ccc4nncn4n3)C2)CC1 32102870 RWOVIYJCMPTFIL-CYBMUJFWSA-N 357.418 0.065 0 40 FCAB O=C(Nc1ccc(F)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 32779558 QDSTZBZCSSQORR-UHFFFAOYSA-N 372.422 0.552 0 40 FCAB COc1cc(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)ccc1OC(F)F 39985027 ROGLALPNYLPVQS-JTQLQIEISA-N 371.340 0.944 0 40 FCAB COc1ccc(C(=O)N2CCN(C(=O)CNC(=O)NC3CC3)CC2)cc1 40155422 XPZHEWYIPMQXMT-UHFFFAOYSA-N 360.414 0.441 0 40 FCAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCOCC1 41248421 NXBZYTQLHIAWBW-JTQLQIEISA-N 362.835 0.874 0 40 FCAB COc1ncccc1NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 49058608 BXNMFSAFGABFRK-WDEREUQCSA-N 353.400 0.064 0 40 FCAB NC(=O)[C@@H]1CN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CCO1 51467493 UNPNLHUNGVVPRD-INIZCTEOSA-N 355.394 0.672 0 40 FCAB CNC(=O)CN1CCC(NC(=O)c2c(C)nn3c(C)cc(C)nc23)CC1 58106461 HPIRZLSYQHVSLD-UHFFFAOYSA-N 358.446 0.595 0 40 FCAB O=C(CCNC(=O)[C@H]1CCCN(c2ncccn2)C1)NCc1cccnc1 58172157 DPBLHLVJIRGVLG-INIZCTEOSA-N 368.441 0.911 0 40 FCAB CCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 58277689 RUSCBKYESXVTRL-UHFFFAOYSA-N 366.849 0.631 0 40 FCAB COCc1cc(=O)n(CC(=O)NCCC(C)C)c(N2CCOCC2)n1 67219790 OXKVPQRYRMGSJU-UHFFFAOYSA-N 352.435 0.389 0 40 FCAB CN(C)c1nccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 95463053 CSGRGCCTCAUFIG-UHFFFAOYSA-N 363.399 0.352 0 40 FCAB O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95477954 MQSKIMKWGLKUQW-CYBMUJFWSA-N 357.414 0.364 0 40 FCAB CCOC(=O)C(C)(C)c1nc(CCN2CCN(CC)C(=O)C2=O)no1 95942974 RMPUGVJUSBNDNA-UHFFFAOYSA-N 352.391 0.144 0 40 FCAB Cn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccncc2)CC3)cn1 96059515 JMPPEPNNAXMMLT-UHFFFAOYSA-N 351.414 0.957 0 40 FCAB CS(=O)(=O)N1C[C@@H]2CN(Cc3ccccn3)CCC[C@]2(C(=O)O)C1 96185200 DDCPUCQFHUZORE-BBRMVZONSA-N 353.444 0.640 0 40 FCAB CNC(=O)c1cc2c(nc1NCC(C)C)CCN(S(C)(=O)=O)CC2 96260495 WUVJNNHXNGISML-UHFFFAOYSA-N 354.476 0.869 0 40 FCAB COc1ccc(CCNC(=O)CSc2nc(=O)c(C)n[nH]2)cc1OC 96300953 LESZFGSKCDAHFU-UHFFFAOYSA-N 364.427 0.942 0 40 FCAB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)Cn2ncccc2=O)C1 225505597 KAAGPBCRYFPDHU-ZDUSSCGKSA-N 358.402 0.169 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)Cc1ccco1)CC2 247846067 MQNAPQBREOAAHM-CQSZACIVSA-N 370.471 0.969 0 40 FCAB Cc1nnc(N2CC3(CC[C@@H](CNS(=O)(=O)C4CC4)CO3)C2)s1 248025809 NLSKEONNPIOWJG-NSHDSACASA-N 358.489 0.914 0 40 FCAB CS(=O)(=O)N1CCC(N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 257212388 CDFHTHHLBYIQKE-HZPDHXFCSA-N 358.435 0.674 0 40 FCAB CNc1nccnc1C[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 257340595 ZGVIPMAUCYEFSK-LBPRGKRZSA-N 350.448 0.895 0 40 FCAB Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CNS(C)(=O)=O)C2)c(C)o1 306139075 SOSVHKKRSYSXOE-ZDUSSCGKSA-N 366.443 0.914 0 40 FCAB O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H]1CCn2cncc2C1 332770136 CLLBKOLOAMEMKO-QZPUYBJASA-N 354.410 0.369 0 40 FCAB CN(C)c1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1F 524465554 HLBNXKYHOQPQGD-AWEZNQCLSA-N 369.462 0.837 0 40 FCAB CC(=O)N1CCC[C@@H](C(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)C1 562326989 OZJQSGYIDFDVCT-HZPDHXFCSA-N 350.463 0.849 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)Cc3ccc4c(c3)CCCO4)C2)CN1C 575406299 WPFHMMODPNLLQT-INIZCTEOSA-N 373.453 0.212 0 40 FCAB O=C(O)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 575424215 SZMUQBWDOIFOEB-LBPRGKRZSA-N 361.441 0.729 0 40 FCAB Cc1noc(C)c1CC(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 575616785 ZQLWBWWOBBNLAI-UHFFFAOYSA-N 358.464 0.469 0 40 FCAB O=C(C1CC(F)C1)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 585113144 MPBFCYLTDIIFPI-JXQTWKCFSA-N 350.394 0.961 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)CCO1 681943312 KXZXIOQDRWLFDP-CQSZACIVSA-N 366.418 0.412 0 40 FCAB Cc1cc(C(=O)N2CCS(=O)(=O)CCO2)ccc1N1CCNC1=O 1124006858 SZOQASLZFXYRGU-UHFFFAOYSA-N 353.400 0.327 0 40 FCAB Cn1cc(NC(=O)CN2CCO[C@](CO)(Cc3ccccc3F)C2)cn1 1615082717 JSCDLGTVKILTAD-GOSISDBHSA-N 362.405 0.804 0 40 FCAB c1cc(N2CCOCC2)nc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 1889211611 YTLTURSTQMMESO-UHFFFAOYSA-N 367.417 0.306 0 40 FCAB Cn1cc(CCC(=O)N2CC3(C[C@@H](N4CCOCC4)CS3)C2)cn1 2056224211 GTIFIYYXEXCAFR-OAHLLOKOSA-N 350.488 0.771 0 40 FCAB N[C@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@H](N)Cc1ccccc1 1616446 YWFZWSSERWXERI-QZTJIDSGSA-N 354.454 0.359 0 40 FCAB O=C(COC(=O)c1cc2ccccc2oc1=O)N[C@@H]1CCS(=O)(=O)C1 5738683 SYFXXTDRQDAYCT-LLVKDONJSA-N 365.363 0.253 0 40 FCAB COC(=O)c1ccc(-n2nnn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c2=S)cc1 6659625 ADFLCQGWUFAUMK-ZKYQVNSYSA-N 362.367 0.840 0 40 FCAB NC(=O)c1c(NC(=O)CN2CCC(C(N)=O)CC2)sc2c1CCCC2 12804110 WCXQCTZIVBETCF-UHFFFAOYSA-N 364.471 0.862 0 40 FCAB CCN1C(=O)N(CC)[C@H]2OC(C3O[C@@H]4[C@@H](O3)N(CC)C(=O)N4CC)O[C@@H]21 18213469 IXHKDTATVZWBHC-HUVAQWKNSA-N 370.406 0.591 0 40 FCAB CCOCCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 20043443 MIUKDECBEICWFY-UHFFFAOYSA-N 361.439 0.981 0 40 FCAB COc1ccc(OC)c(NC(=O)C[C@H](C(=O)O)N2CCN(C)CC2)c1 22585043 PADZQWHCJGTWOJ-CQSZACIVSA-N 351.403 0.733 0 40 FCAB Cn1c(=O)n(CCC(=O)N2CCN(C(=O)C3CC3)CC2)c2ccccc21 25169461 YNKPDHLPQBCNMR-UHFFFAOYSA-N 356.426 0.811 0 40 FCAB O=C(Cn1c(=O)c(=O)[nH]c2ccccc21)N1CCN(Cc2ccco2)CC1 36396919 ZITAAHYAFVFSON-UHFFFAOYSA-N 368.393 0.627 0 40 FCAB CC(=O)N1C(=O)[C@@]2(N=C(N)Nc3nc(=O)c4ccccc4n32)c2ccccc21 39921225 ULJPYNFTHZOEFZ-LJQANCHMSA-N 374.360 0.731 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 47636014 KYPNXFPTFKHKNE-RDJZCZTQSA-N 350.463 0.433 0 40 FCAB COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)OC 61997068 AOJOMAFSYCCTIH-LLVKDONJSA-N 356.762 0.291 0 40 FCAB O=C(c1cnccn1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 67897553 XKTITGBYTUUSPF-CVEARBPZSA-N 356.357 0.868 0 40 FCAB biogenic,in-vitro COC[C@@H](O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 95451822 KOKFWBJXGVGCIF-OCCSQVGLSA-N 364.398 0.324 0 40 FCAB CC(=O)NCCOc1ccc(NC(=O)c2ccc(-n3cncn3)nn2)cc1 96097883 TYUSMUCDOKZNLG-UHFFFAOYSA-N 367.369 0.825 0 40 FCAB COCCN1C[C@@H]2CN(C(=O)c3cc(C)on3)CCC[C@]2(C(=O)O)C1 96100490 NTLUXYIDTFORKH-DYVFJYSZSA-N 351.403 0.868 0 40 FCAB CN(C)S(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOCc1ccncc1 247923910 DBSQGZWKZCNXED-HNNXBMFYSA-N 355.460 0.886 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2nccnc2-c2cnn(C)c2)C1 257228878 FVRILDWUHYTSNZ-CYBMUJFWSA-N 364.475 0.938 0 40 FCAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCSc2nc(C)n[nH]2)C1 260743160 NZVOGVFQIUXGGP-NSHDSACASA-N 361.493 0.383 0 40 FCAB Cc1nc(C(=O)N2C[C@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@H]3C2)cs1 306144285 ZBFAJGWDZBTQOS-QWRGUYRKSA-N 372.454 0.880 0 40 FCAB CCN1CCO[C@@H](CNS(=O)(=O)c2cnn(Cc3ccccc3)c2)C1 604770554 YLCKIIKUOMVXST-INIZCTEOSA-N 364.471 0.930 0 40 FCAB Cc1nc(C(=O)N2Cc3nnn(C)c3[C@@H](COCCN(C)C)C2)cs1 1565553392 XCJKUAIHOJCYJY-GFCCVEGCSA-N 364.475 0.898 0 40 FCAB COCCN1C(=O)[C@H]2CN(Cc3ccccn3)CCN2C12CCOCC2 1772595285 JWAKCWFCVKWGSS-QGZVFWFLSA-N 360.458 0.563 0 40 FCAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)COC)C1 2055746429 DGGFYYWHZUNFIU-QGZVFWFLSA-N 353.394 0.618 0 40 FCAB CC(=O)[C@H](C)n1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 808463 BWDFMELJDICVBG-LBPRGKRZSA-N 361.446 0.816 0 40 FCAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)NCCCN(C)C)C2)cnn1C 2732441 WWFHPCDONOQWJK-AWEZNQCLSA-N 371.507 0.197 0 40 FCAB CNC(=S)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)OC)cc2)CC1 4187606 VBHNFRBJZVSVIG-UHFFFAOYSA-N 364.427 0.060 0 40 FCAB O=C(CSc1nnc2[nH]c3ccccc3n12)N[C@H]1CCS(=O)(=O)C1 4267231 XDQFUWKXVCDRSV-VIFPVBQESA-N 365.440 0.606 0 40 FCAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]12 5068234 CKMMLRGATFLGEK-DGCLKSJQSA-N 360.326 0.859 0 40 FCAB CN1C(=O)C(=C2C(=O)NC(=S)NC2=O)c2cc(Br)ccc21 6490441 RXQPGHGCGOXGHL-UHFFFAOYSA-N 366.196 0.710 0 40 FCAB CCc1ccc(-c2nnn(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2)cc1 7041124 FJABENSKXWDRTQ-AWEZNQCLSA-N 363.443 0.548 0 40 FCAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 7688283 UCYDZEWJDGNESA-JTQLQIEISA-N 357.432 0.847 0 40 FCAB O=C(Cn1nnc(-c2cccs2)n1)N1CCN(c2ncccn2)CC1 8429814 MCLUCOMTZCZSMY-UHFFFAOYSA-N 356.415 0.540 0 40 FCAB Cc1nc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)sc1C 9318848 KAUMOSMLNKBOMU-UHFFFAOYSA-N 362.415 0.536 0 40 FCAB CCN(CC)C(=O)CN1CCC[C@@H](c2ncncc2S(C)(=O)=O)C1 12154657 WSFKUYBYOORIGC-CYBMUJFWSA-N 354.476 0.928 0 40 FCAB CC(C)c1ccccc1OC[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 12629498 LZTBFFUPTSBBFO-ZDUSSCGKSA-N 372.425 0.997 0 40 FCAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(N)=O)CC1)C2=O 12791406 OVZTXRYEJSEGKM-DIFFPNOSSA-N 350.419 0.211 0 40 FCAB CN(C)c1nc(N)nc(COC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1 12949104 VXLOJZCTUNGYCL-JTQLQIEISA-N 360.349 0.828 0 40 FCAB O=C(CN1C(=O)CSC1=O)N1CCC(O)(c2cccnc2F)CC1 13265814 ZMUQQFSSJNWQRI-UHFFFAOYSA-N 353.375 0.726 0 40 FCAB Cc1cccc(CC(=O)N2CCN(c3ncnc4c3nnn4C)CC2)c1 13532708 VXWBCIOCWPVKJF-UHFFFAOYSA-N 351.414 0.958 0 40 FCAB CCC(=O)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164376 TVGNXJGOZJNLJE-INIZCTEOSA-N 358.442 0.462 0 40 FCAB COc1ccc([C@@H]2CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)c(OC)c1 15830362 KWPZSNOMGLUHCT-AWEZNQCLSA-N 359.382 0.918 0 40 FCAB O=C1CCC(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)=NN1 19374751 YWKSBARAMPRVCH-SFHVURJKSA-N 356.382 0.436 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1c1ccnc(N2CCCC2)n1 19591935 YLJKDARYGXCSIS-CHWSQXEVSA-N 369.429 0.402 0 40 FCAB CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2NCCOC)cc1 19820916 NVNNNSJXYGFCKZ-LSDHHAIUSA-N 361.485 0.424 0 40 FCAB CCN1CCC(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 22992118 HBEDFXKEDGBBES-UHFFFAOYSA-N 353.488 0.992 0 40 FCAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(-n3ccnc3)nc2)C1=O 33043822 MIVUMMBJYJWYKF-GOSISDBHSA-N 368.397 0.604 0 40 FCAB O=C(NCCN1CCOCC1)C(=O)Nc1ccc(Br)cc1 42645821 PVCLGPOLIKKXBV-UHFFFAOYSA-N 356.220 0.836 0 40 FCAB CCN(CC)c1ccc(CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cn1 48288131 AORLLCVVTBTFDN-UHFFFAOYSA-N 359.430 0.862 0 40 FCAB NC1(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CCCCC1 95972563 KRUKFTKQZMLYIU-UHFFFAOYSA-N 352.416 0.156 0 40 FCAB CC(=O)N1CC2(CCN(C(=O)N3CCCC3)CC2)[C@]2(CCN(C)C2=O)C1 96036412 WVHIOTNJGQBQSJ-LJQANCHMSA-N 362.474 0.995 0 40 FCAB Cn1cc(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)nn1 96120530 CNRDJAVXJXKMEB-UHFFFAOYSA-N 364.431 0.041 0 40 FCAB O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CCC[C@@H]1Cn1ccnc1 155039721 PGMKRTSRWJTSJY-ZIAGYGMSSA-N 351.432 0.894 0 40 FCAB CCN(CC)C(=O)CN1C[C@@H](O)[C@H](Oc2ccc(CC(=O)O)cc2)C1 257210599 BVIDGLXEOQAMPA-HZPDHXFCSA-N 350.415 0.606 0 40 FCAB NCCOc1ccc(C(=O)N2C[C@@H](O)[C@H](n3ncc4ncccc43)C2)cc1 257282507 OTZPYDJFOXNWAX-QZTJIDSGSA-N 367.409 0.827 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)Cn2c(COC)nc3ccccc32)CCN1C 257296472 RCZIYCSAAOMSLG-HNNXBMFYSA-N 359.430 0.071 0 40 FCAB C[C@@H]1Cc2cc(S(=O)(=O)NCCN3C[C@H](C(=O)O)CC3=O)ccc2O1 274953781 IFPOOZLFPXWSNO-ZYHUDNBSSA-N 368.411 0.221 0 40 FCAB Cn1cc(CN2CC[C@@]3(CCn4c3nnc(-c3nccn3C)c4=O)C2)cn1 306125714 CZJOFBKTEPHQPQ-GOSISDBHSA-N 366.429 0.320 0 40 FCAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCO)cc1 408710293 WIXGYNAMOWYZQO-UHFFFAOYSA-N 371.393 0.672 0 40 FCAB CCNC(=S)NNc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1 408726365 SJJJHBMKPWHYSP-UHFFFAOYSA-N 374.474 0.685 0 40 FCAB Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(C(=O)c3ccnn3C)C[C@@H]2O1 585108644 ZPKBNPYFHJBNRG-IOASZLSFSA-N 357.414 0.418 0 40 FCAB Cn1c(=O)c2c(ncn2C[C@@H](O)CNc2cccc(Cl)c2)n(C)c1=O 801742 XWMOBHCCHHWOME-LBPRGKRZSA-N 363.805 0.560 0 40 FCAB biogenic 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O=C(CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1)NC1CC1 19375916 JNWURZXMTJWQFQ-UHFFFAOYSA-N 356.426 0.502 0 40 FCAB CN1CCc2nc([C@H]3CCCN(C(=O)[C@H]4CC(=O)N(C)C4)C3)ncc2C1 19590363 SNPQJXQRTZZUMY-KBPBESRZSA-N 357.458 0.649 0 40 FCAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Cn2ccccc2=O)s1 21347846 DGISQURNHMTBMD-UHFFFAOYSA-N 355.441 0.477 0 40 FCAB Nc1nccnc1C(=O)N1CCN(c2ncc(Br)cn2)CC1 32924817 NNOOEOAHZLWVEW-UHFFFAOYSA-N 364.207 0.574 0 40 FCAB CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@](O)(Cn2cncn2)C1 72354535 NUUPQZXZRNBYLG-SFHVURJKSA-N 361.421 0.555 0 40 FCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NCc1ccccn1 72401522 KCEVOPMLDTYTAI-UHFFFAOYSA-N 355.402 0.020 0 40 FCAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N[C@H]1CCS(=O)(=O)C1 95478727 WFYONBPGFFCOAF-QWHCGFSZSA-N 372.516 0.930 0 40 FCAB O=C(NCc1ccccn1)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124075 FYJRFUDZCRKBBT-AWEZNQCLSA-N 364.413 0.985 0 40 FCAB O=C(c1ccoc1)N1CCOC[C@@]2(CC[C@H](Cn3ncccc3=O)O2)C1 96160720 FKVMXOFFTGXJNQ-CRAIPNDOSA-N 359.382 0.927 0 40 FCAB 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Cn1c(N)c(C(=O)CSc2nnc(-c3ccncc3)o2)c(=O)n(C)c1=O 14198507 DLOWKHBQNFZSOT-UHFFFAOYSA-N 374.382 0.086 0 40 FCAB COc1cc2c(cc1OC)CN(CCS(=O)(=O)CCC(N)=O)CC2 15293888 AUURLVIKTUVESH-UHFFFAOYSA-N 356.444 0.352 0 40 FCAB COCC(=O)N1CCO[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19762729 STGVYPOCXZGSPP-QGZVFWFLSA-N 373.409 0.503 0 40 FCAB O=C(CNC(=O)COc1ccc2c(c1)CCC(=O)N2)NCc1ccco1 32905753 KEINFPBFTPRXIU-UHFFFAOYSA-N 357.366 0.976 0 40 FCAB CC(=O)Nc1ccc(NC(=O)CNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 36358038 ZKXWZVNYVHTOIS-ZDUSSCGKSA-N 368.415 0.070 0 40 FCAB CCCn1c(=O)n(C)c(=O)c2c(S[C@@H](C)C(N)=O)nc(C(C)C)nc21 36810962 CKKZBFVSTPDGCI-VIFPVBQESA-N 365.459 0.990 0 40 FCAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1nc2ccccc2c(=O)[nH]1 37406113 OWPJDBFEGNFLSM-SNVBAGLBSA-N 354.418 0.949 0 40 FCAB C[C@@H](NC(=O)c1ccoc1)C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 40153132 MRJPBKQGYMEKSV-ZMZPIMSZSA-N 370.365 0.896 0 40 FCAB CS(=O)(=O)NCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1 45652486 YAGWJQBSYAJUNJ-UHFFFAOYSA-N 360.867 0.721 0 40 FCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CCC3)CC2)C[C@@H](C)O1 46363217 GFRTXEKFBIWQIC-XHSDSOJGSA-N 371.503 0.841 0 40 FCAB CS(=O)(=O)NCCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 47827448 ZQVMFUAIEPBAAG-UHFFFAOYSA-N 357.417 0.115 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H]1COc2ccccc2C1 53045906 PMQUETVTGURLRA-ZDUSSCGKSA-N 351.362 0.810 0 40 FCAB C[C@@H]1CCC[C@](CNC(=O)c2cn(CC(=O)N(C)C)nn2)(N(C)C)C1 56986415 KIYFQCXUGLLAHT-DYVFJYSZSA-N 350.467 0.607 0 40 FCAB CCOC(=O)Cc1csc(NC(=O)C[C@@H](NCCCO)C(=O)O)n1 65090379 LXLKVOOYCDXXSU-SNVBAGLBSA-N 359.404 0.003 0 40 FCAB CNC(=O)N1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)NCC2CC2)C1 96251192 YLSMQHVGDZDLMM-RDTXWAMCSA-N 358.446 0.613 0 40 FCAB CC1=NN(c2ccc(C)cc2C)C(=O)[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 101901870 ATNBLVMFUGCYEI-HIFRSBDPSA-N 363.439 0.945 0 40 FCAB C[C@@H]1CC[C@@H]2C(=O)N(C)C(=O)[C@H]2[C@@H]1C(=O)NCc1nnc2n1CCCCC2 106160855 KRFLBJNEKNRBMF-NOXHYTERSA-N 373.457 0.898 0 40 FCAB COCC(=O)N1CCC2(CC1)CN(c1ncccn1)C[C@]21CCN(C)C1=O 107181482 NNTBNLONROHOEG-IBGZPJMESA-N 373.457 0.400 0 40 FCAB Cn1cnc(S(=O)(=O)N2CCC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)c1 107787789 KMMPEWNMMAXQGV-TZMCWYRMSA-N 352.420 0.197 0 40 FCAB N[C@@H](CCC(=O)N1C[C@H](O)[C@H](Cc2ccnc3cccnc23)C1)C(=O)O 257308747 TXYCYBLDIGFJPV-IPYPFGDCSA-N 358.398 0.184 0 40 FCAB Cc1nnc(CC(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)o1 524145050 GQGUJLOQQNSXNB-UHFFFAOYSA-N 357.414 0.876 0 40 FCAB O=C(CCn1ccc(O)nc1=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 585276830 RDQZHTSKCCBUPE-HOTGVXAUSA-N 357.410 0.934 0 40 FCAB CN(C)CC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585287645 ZWSZOAZKOZNTDV-KRWDZBQOSA-N 369.849 0.753 0 40 FCAB COc1cc(=O)n(C)cc1C(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1 585590255 MOVWCJVBTLECTN-UHFFFAOYSA-N 369.425 0.633 0 40 FCAB O=C(c1ccc2ncccc2c1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 643586324 ZZLBORPKALNLOY-KURKYZTESA-N 357.410 0.113 0 40 FCAB CNC(=O)C1(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CCOCC1 1133814791 WKVAOUCDSKAEGZ-LLVKDONJSA-N 359.382 0.083 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 2055771804 ZYBCTFIZHJAXSB-BETUJISGSA-N 356.469 0.713 0 40 FCAB CC(C)Cn1c(N)c(C(=S)NC(=O)c2ccco2)c(=O)n(C)c1=O 3371688 NAVIQOXPUOOSRC-UHFFFAOYSA-N 350.400 0.484 0 40 FCAB Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N2CCCC2=O)cc1 4284949 QMFJMLNQCCQUKK-UHFFFAOYSA-N 368.411 0.356 0 40 FCAB COc1ccc(OC)c(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 5252109 JEUMLNIVWQPLEM-UHFFFAOYSA-N 357.370 0.603 0 40 FCAB NC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c2ccccc2O1 6851015 MBBSTRKXVSBXHY-BLLLJJGKSA-N 369.377 0.908 0 40 FCAB Cc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)c2cccn2C)s1 7778548 FGUUREOAZAWRPI-UHFFFAOYSA-N 363.395 0.625 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCO[C@@H](C)C2)CC1 9854165 HOOZWMDKMJOCNN-NSHDSACASA-N 371.459 0.939 0 40 FCAB COCCNC(=O)Cn1nc(C)c2cnn(-c3ccc(F)cc3)c2c1=O 12228432 VUSGWOIUYQKWBG-UHFFFAOYSA-N 359.361 0.792 0 40 FCAB CN(Cc1ccccc1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)c1ccco1 30879638 NGPICWHKVMPWNI-VSZNYVQBSA-N 360.410 0.631 0 40 FCAB biogenic,in-vitro Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCNC(=O)c1ccccc1 31021763 GLPZCLRNGVZOAZ-UHFFFAOYSA-N 361.423 0.802 0 40 FCAB Cc1c(S(=O)(=O)N(Cc2cnn(C)c2)Cc2cnn(C)c2)cnn1C 36615332 BAMPVTOIEASYAV-UHFFFAOYSA-N 363.447 0.587 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1 44948041 FJRLVHORVAXKKZ-LLVKDONJSA-N 355.416 0.872 0 40 FCAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 71288011 DMJDRQOEWSMHDZ-KBPBESRZSA-N 359.382 0.554 0 40 FCAB C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)N1CCSCC1 72405443 ZCVUGLMVASEQPZ-ZDUSSCGKSA-N 364.475 0.272 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(C(=O)c1cccnc1)CCN(C(=O)N(C)C)C2 96036228 HOYDMIFNNLMHSH-IBGZPJMESA-N 373.457 0.760 0 40 FCAB CS(=O)(=O)N1CC[C@]2(CCC[C@H](CNC(=O)c3cnccn3)O2)C1 96206627 LKLGJKRWLSJLJJ-IUODEOHRSA-N 354.432 0.180 0 40 FCAB Cc1n[nH]c(C)c1CCC(=O)N(C)C[C@]1(O)CCN(c2ncccn2)C1 257253331 JYLPDLSUURFMDL-GOSISDBHSA-N 358.446 0.849 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CCn2ccnc2-c2ccccc2)CCN1C 257308029 TVDFPMHABUZAFW-INIZCTEOSA-N 355.442 0.829 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@@H]1COCCN1C(=O)Cc1cccnc1 257326898 WZBAYODMHDFKLR-LBPRGKRZSA-N 350.400 0.351 0 40 FCAB Cc1ccnc(N2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)c1 331425701 MGFHBFQIQXHNJG-UHFFFAOYSA-N 368.503 0.564 0 40 FCAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCO 408709966 JOMNRNQEVZWYMZ-UHFFFAOYSA-N 371.393 0.672 0 40 FCAB CC[C@H]1OCCC[C@H]1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 559309090 WXEXXAUEPYKLCG-HZPDHXFCSA-N 358.504 0.913 0 40 FCAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CCn1c(C)cc(O)cc1=O 585285931 FUJOTKYUPQMPOM-CPUCHLNUSA-N 354.403 0.140 0 40 FCAB O=C(O)[C@H]1CN(S(=O)(=O)c2cscc2Br)CCO1 630419053 CMZTVEMSULRHHO-SSDOTTSWSA-N 356.219 0.985 0 40 FCAB O=C(N1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1)C1(F)CC1 1565547346 OFUKURQGBUDUET-CJNGLKHVSA-N 351.378 0.522 0 40 FCAB CCOC(=O)C1(C(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)CC1 1565555063 PZNZLDYSIMLGFQ-UHFFFAOYSA-N 373.417 0.302 0 40 FCAB Cc1nnc(N2CCOC[C@]3(CCCN(C(=O)[C@@H]4CCOC4)C3)C2)o1 1565555424 ACRMTTNICVFOHF-PBHICJAKSA-N 350.419 0.860 0 40 FCAB CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cc(-c2cccc(F)c2)no1 1615149922 UNOCJUKABUTQOR-XFJVYGCCSA-N 350.346 0.921 0 40 FCAB COCc1ccc(CN2CCOC[C@@H]2CNC(=O)CCCC(N)=O)cc1 1615611391 LEJRPMAACZERKD-KRWDZBQOSA-N 363.458 0.806 0 40 FCAB NC(=O)c1cc(OC2CN(C(=O)[C@@H]3COc4ccccc4O3)C2)ccn1 1889151981 QHAUYQYYCNUVRV-INIZCTEOSA-N 355.350 0.610 0 40 FCAB Cn1ncc2c(N3CCN(c4ccc(-n5cccn5)nn4)CC3)ncnc21 1889211646 NWJALUVBTTXXEP-UHFFFAOYSA-N 362.401 0.666 0 40 FCAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)Cn2ccccc2=O)C1 2055772371 CSVCUHVPHXIZDP-SFHVURJKSA-N 357.414 0.151 0 40 FCAB CN1C(=O)[C@@H]2[C@H](N=C(N3CCOCC3)N2CCc2ccccc2)N(C)C1=O 4600111 UVKOOJAMXQJHHM-JKSUJKDBSA-N 371.441 0.451 0 40 FCAB CCO[P@@]1(=O)OC[C@@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@@H]2O1 5158649 TXRXEHHGCBJORG-OSMNKBTPSA-N 357.263 0.227 0 40 FCAB in-vitro CN(C(=O)COC(=O)c1ccc(Cl)c(N)c1)[C@@H]1CCS(=O)(=O)C1 6422025 SIIOMVOZBWNWLP-SNVBAGLBSA-N 360.819 0.725 0 40 FCAB C[C@@H]1CCCC[C@@H]1NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 8281661 TZMNHDOYKDBYIN-OLZOCXBDSA-N 361.446 0.909 0 40 FCAB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1-n1cnnn1 9504088 YSQTVCPBSNKZNL-UHFFFAOYSA-N 354.326 0.114 0 40 FCAB COC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)CC1 11177645 WUCVZDDMXRJJAV-AWEZNQCLSA-N 360.366 0.902 0 40 FCAB CN(C(=O)CN1CCN(c2ccccc2F)CC1)[C@H]1CCS(=O)(=O)C1 12533846 OLDKJZOZGCARLA-AWEZNQCLSA-N 369.462 0.593 0 40 FCAB O=C(c1ccc(O)nc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617702 JEWAXOJUVDTHRE-UHFFFAOYSA-N 371.422 0.815 0 40 FCAB CCCCn1c(N)c(N(C)S(=O)(=O)c2ccccc2)c(=O)[nH]c1=O 14140848 BDLSZMGNNJOQJF-UHFFFAOYSA-N 352.416 0.744 0 40 FCAB in-vitro CN(C)S(=O)(=O)c1ccc(=O)n(Cc2nnnn2-c2ccccc2)c1 16117588 SVSRKYZUUITZPC-UHFFFAOYSA-N 360.399 0.123 0 40 FCAB O=C(NCCCN1CCOCC1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 20621841 NRHWLHKAYWXSPF-AWEZNQCLSA-N 373.461 0.408 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 20745629 SWAJXKYOAKZWNR-GFCCVEGCSA-N 369.418 0.282 0 40 FCAB CC(=O)N1CC2(CCN(C(=O)Cn3cnnn3)CC2)Nc2ccccc21 72327194 FCDSMWSSXZVBML-UHFFFAOYSA-N 355.402 0.513 0 40 FCAB C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H](O)c2ccccc2C1 95466726 WPKZGXWHJWADQM-RISCZKNCSA-N 372.425 0.177 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 101306060 AKOBZUGGULHISJ-DGCLKSJQSA-N 363.757 0.979 0 40 FCAB COC[C@H](C)NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 217667490 ATKASJIKIMQFIL-NSHDSACASA-N 358.416 0.535 0 40 FCAB Cc1cccc(C(=O)N2Cc3cncn3[C@@H](CCNS(C)(=O)=O)C2)n1 248081899 IYMKHBLLVUTYLX-ZDUSSCGKSA-N 363.443 0.723 0 40 FCAB CC(=O)N1[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)[C@@H]3CCC[C@H]1[C@]3(C)C2 257205703 BAGJSXYGZAXHJM-MOROJQBDSA-N 360.414 0.339 0 40 FCAB CN(C(=O)c1ccc(OCCN)cc1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257217768 DANKPJRNERTOKM-KZNAEPCWSA-N 363.458 0.320 0 40 FCAB CC(=O)Nc1nnc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)s1 260743609 NILRKGKYQTUDIG-JTQLQIEISA-N 361.493 0.897 0 40 FCAB CCn1cnc2c(N3CCN(c4ncnc5c4cnn5C)CC3)ncnc21 521919327 CBYITVPSVUNIPK-UHFFFAOYSA-N 364.417 0.850 0 40 FCAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@H](c2nccn2C)C2CC2)C1 585123274 UDEORQOHMRPYKB-JSGCOSHPSA-N 369.491 0.842 0 40 FCAB CCOc1ncccc1C(=O)N1CCO[C@](COC)(CC(=O)NC)C1 585277280 HJCXRNNCAOTTRP-QGZVFWFLSA-N 351.403 0.474 0 40 FCAB COc1c2c(c(CNC(=O)[C@@H]3CCCO3)c3c1C(=O)N(C)CC3)OCO2 604405160 XMLFLALECBIJLA-LBPRGKRZSA-N 362.382 0.847 0 40 FCAB biogenic CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5nc[nH]n5)C[C@H]4C3)nn12 1888914294 KLAGYNYBHGNERY-PHIMTYICSA-N 353.390 0.013 0 40 FCAB CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccccc1Cl 784172 CEODEWTZBRYRID-UHFFFAOYSA-N 373.862 0.830 0 40 FCAB CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 4279293 BBFJZZWRXVVKEC-XAJHFOFHSA-N 351.399 0.945 0 40 FCAB NC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 4940689 DOJDQOFXXFSKJG-UHFFFAOYSA-N 373.390 0.959 0 40 FCAB C[C@@H](Cn1cncn1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 4988405 MIQALILCGOGOFI-AWEZNQCLSA-N 363.443 0.447 0 40 FCAB CNC(=O)COC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 5280277 ZORMYGYNQVLGRA-UHFFFAOYSA-N 355.397 0.201 0 40 FCAB CC(C)[C@H](C)NC(=O)COn1nnc2ccc(S(=O)(=O)N(C)C)cc21 5457408 DAECZBZBECEEAS-NSHDSACASA-N 369.447 0.271 0 40 FCAB CC(C)N1C(=O)C(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)C1=O 7090960 QXPJSJYFBMAYIX-NSHDSACASA-N 372.381 0.950 0 40 FCAB CC(=O)c1ccc(N2CCN(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 8777242 LGTYMKKYYUXLGP-HNNXBMFYSA-N 365.455 0.908 0 40 FCAB CN(C)C(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 12325393 FAVSXNJAPPNGEU-UHFFFAOYSA-N 368.441 0.877 0 40 FCAB CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 14398418 KYQTWWYHNJTPNO-UHFFFAOYSA-N 353.444 0.810 0 40 FCAB CC(C)OCCCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 21224031 JRPVAEIOUIKZLK-LBPRGKRZSA-N 359.448 0.083 0 40 FCAB CCCNC(=O)NC(=O)CN1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 29677652 XWYWGJDDEOBNOH-HNNXBMFYSA-N 367.494 0.241 0 40 FCAB COC(=O)[C@@H](C)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 84640068 XKSPBGNZIDKJMN-QMMMGPOBSA-N 369.848 0.831 0 40 FCAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCN(c2ncccn2)CC1 85472788 PGUTZQXPSGDNAV-AWEZNQCLSA-N 359.430 0.153 0 40 FCAB C[C@@H](C(=O)N1CCN(C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957576 BLZLNNSZICLLDQ-NSHDSACASA-N 361.414 0.893 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C)nc2C)CCN1Cc1ccccc1 257265363 LYJFJVYOPYNUSF-KRWDZBQOSA-N 370.457 0.354 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cn(C)nc2C)CCN1CCc1ccccc1 257310531 UFLSKVFHIDQBCT-GOSISDBHSA-N 369.469 0.844 0 40 FCAB Cc1ccc2nccc(N3CC[C@](O)(CNC(=O)/C=C/C(=O)O)C3)c2n1 257323128 WIVZDBJGQWVDHX-WRFKIARRSA-N 356.382 0.636 0 40 FCAB CCN1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC)cc2)CC1 408611567 XNRMBRMTWJMHST-CYBMUJFWSA-N 355.460 0.526 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCCN([C@H](C(=O)O)C2CC2)CC1 567241631 BYLKEYSVSZFXBA-ZDUSSCGKSA-N 357.432 0.851 0 40 FCAB COC(=O)/C=C1/C(=O)O[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 586106225 GHQNSEQBKJGFKW-SADRXWBLSA-N 351.380 0.268 0 40 FCAB CC(C)c1nc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)nc(O)c1F 1888853730 ZTAOPAWLRFLCAE-LLVKDONJSA-N 365.409 0.572 0 40 FCAB CC(C)(C)NC(=O)NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 3370664 UGDHEUNIUHVZHP-UHFFFAOYSA-N 361.354 0.450 0 40 FCAB O=S1(=O)C=C(Cl)[C@H](SC(=S)N[C@H]2CCS(=O)(=O)C2)C1 5376343 GZDKPXLPDYHNGL-POYBYMJQSA-N 361.919 0.658 0 40 FCAB Cc1ccnc2nc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)nn12 7780109 LBVOZCBNUFVLSR-UHFFFAOYSA-N 355.310 0.957 0 40 FCAB CC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 12935730 GDMZUSBVELTEPV-OAHLLOKOSA-N 368.455 0.959 0 40 FCAB CCCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 18149566 HPVKEJKBSZGYHO-NSHDSACASA-N 353.444 0.653 0 40 FCAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)N2CCOCC2)C1)N1CCOCC1 19075338 GQWQNUBHGHAWOG-IYBDPMFKSA-N 368.478 0.876 0 40 FCAB Cc1cc(S(=O)(=O)N2CC[C@]3(CC(=O)NC3=O)C2)c2ncccc2c1 82107002 BOTHIOLAWSDEEO-KRWDZBQOSA-N 359.407 0.971 0 40 FCAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(S(=O)(=O)C2CC2)C1 96057730 HYPUEQDODDPGQD-NILFDRSVSA-N 354.428 0.867 0 40 FCAB COC(=O)C1CC(=O)C(CC2C(=O)CC(C(=O)OC)CC2=O)C(=O)C1 100370951 OYSVSSGOJRMRJH-UHFFFAOYSA-N 352.339 0.051 0 40 FCAB COC(=O)[C@@H]1N2C(=O)[C@H](NC(=O)COc3ccccc3)[C@H]2SC1(C)C 149221323 JYVSRPXYJNDSQP-KCQAQPDRSA-N 364.423 0.786 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCc2ccnc(N3CCCC3)n2)CC1 224199833 VVMUTPVERJHJFP-UHFFFAOYSA-N 367.475 0.365 0 40 FCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)CC1 257202946 ANYVKRQQEBLNNL-SFHVURJKSA-N 363.462 0.367 0 40 FCAB Nc1nc(N)c2c(n1)O[C@@]1(COCCN(Cc3ccc(C(=O)O)cc3)C1)C2 257304186 SKKRMMQHUJPDJB-SFHVURJKSA-N 371.397 0.545 0 40 FCAB Cc1c(NC(=O)CN2CCC[C@](C(N)=O)(c3ccccn3)C2)cnn1C 257306888 SWLMWMJFQQDXMR-GOSISDBHSA-N 356.430 0.581 0 40 FCAB COCCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c1 262102470 IZFDUCMKSOKQOH-CQSZACIVSA-N 370.427 0.691 0 40 FCAB CCCNC(=O)c1nnc2n1CC1(CCN(C(=O)C3CC3)CC1)COC2 306126875 FHTHPGWWLOJISY-UHFFFAOYSA-N 361.446 0.967 0 40 FCAB COC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 408588544 DBNXSKWADRSDTR-QWRGUYRKSA-N 360.432 0.522 0 40 FCAB COC(=O)c1cn([C@@H](CSCC(=O)O)C(=O)O)cc2c(O)nnc1-2 524732660 HDRUQKZOGKTILA-QMMMGPOBSA-N 355.328 0.319 0 40 FCAB CN1CCCC12CCN(C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)CC2 545561437 VGXFBIRTYVVPBV-UHFFFAOYSA-N 354.476 0.965 0 40 FCAB O=S1(=O)CC[C@H](NCCNS(=O)(=O)c2ccc(Cl)cc2)C1 575425800 WXRYCEKZPYDFGT-NSHDSACASA-N 352.865 0.395 0 40 FCAB CO[C@]1(CC(N)=O)COCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 585280123 ANRMHADGMGTOCQ-KRWDZBQOSA-N 350.390 0.977 0 40 FCAB Cc1cc(OC2CN(C(=O)[C@@H]3COc4ccccc4O3)C2)n2ncnc2n1 618255637 GQJARZZSPDQECJ-HNNXBMFYSA-N 367.365 0.862 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 643705024 HGUMNRRNDMDOHB-MRXNPFEDSA-N 354.428 0.537 0 40 FCAB COC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 624677 UEFOGWHVVZPWCY-UHFFFAOYSA-N 374.422 0.747 0 40 FCAB NC(=O)NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3482351 HYNBUZNTRAHCEX-UHFFFAOYSA-N 367.317 0.839 0 40 FCAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCc3ccccc32)c1 5918241 OGDKQWAHZCTONZ-UHFFFAOYSA-N 361.423 0.688 0 40 FCAB COc1ccc(CNC(=O)[C@@H](CC(=O)N2CCOCC2)n2ccnc2)cc1 7738149 WXVDNGGDRURLEW-QGZVFWFLSA-N 372.425 0.998 0 40 FCAB C[C@@]1(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CCS(=O)(=O)C1 7986799 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O=C(Nc1ccccc1)[C@@H]1CN(C(=O)[C@H]2CCOC2)Cc2ncnn2C1 1565547599 SZFMKMVTVUDULL-UONOGXRCSA-N 355.398 0.912 0 40 FCAB CCCc1noc(CN2C[C@@H](NC(=O)COC)[C@H](c3ccnn3C)C2)n1 1615546268 FRCIKWSWFIUTSZ-CHWSQXEVSA-N 362.434 0.486 0 40 FCAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cncc(O)c5)C[C@H]4C3)nn12 1888888075 RBLJLLIECROODC-OKILXGFUSA-N 365.397 0.742 0 40 FCAB COC[C@H]1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](O)[C@@]3(C)[C@@H](O)[C@H]12 2332243385 PAANHYMHGCVZRB-RIZZNTDKSA-N 356.415 0.510 0 40 FCAB Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)cn1 2806852 ONWAFXLAPVKQAF-GFCCVEGCSA-N 352.416 0.730 0 40 FCAB CCSc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1 3544449 UKRQCXPMLJTXTK-UHFFFAOYSA-N 373.485 0.605 0 40 FCAB COC(=O)CSc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 6564885 IVBAJJFXJOHAFT-UHFFFAOYSA-N 371.440 0.849 0 40 FCAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ncccn2)CC1 6916859 IOELYEARCGIQFU-UHFFFAOYSA-N 368.440 0.836 0 40 FCAB C[C@@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NC(=O)NC1CC1 10393509 XAZVKBDQYNYQAV-SECBINFHSA-N 369.399 0.592 0 40 FCAB CCNC(=O)[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 12872101 YLCPKEZFXOFFLQ-JTQLQIEISA-N 361.851 0.601 0 40 FCAB COC(=O)c1nnn(CC(=O)Nc2ccc3c(c2)OCO3)c1C(=O)OC 20182500 FEPYWKWETVMRHZ-UHFFFAOYSA-N 362.298 0.219 0 40 FCAB Cc1ccccc1OCn1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)n1 27972268 ZXPDNWGENOZORN-UHFFFAOYSA-N 369.381 0.878 0 40 FCAB CCn1cc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cn1 32818911 IKUVDYFVAOOQTN-UHFFFAOYSA-N 358.445 0.954 0 40 FCAB CN(CC(=O)N[C@@H](c1ccccc1F)c1nccn1C)S(C)(=O)=O 40073920 VLUWDJJLUUFOLP-AWEZNQCLSA-N 354.407 0.656 0 40 FCAB COCC(=O)N1CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1 40122350 ZUXIYZCLAKMMJP-UHFFFAOYSA-N 361.398 0.119 0 40 FCAB COc1ccc(CNC(=O)Cn2cc(OC)c(=O)cc2CO)cc1OC 70666581 JAMWDRSEXNHFIY-UHFFFAOYSA-N 362.382 0.683 0 40 FCAB biogenic CC(C)(CNC(=O)c1scnc1Br)NS(C)(=O)=O 95993648 HBHPADKOXUBYEC-UHFFFAOYSA-N 356.267 0.963 0 40 FCAB O=C(NCCn1nc(-n2cncn2)ccc1=O)c1cc(-c2ccco2)n[nH]1 96025195 MFNXUMNYRSBLNH-UHFFFAOYSA-N 366.341 0.237 0 40 FCAB C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)C1CCOCC1 96062035 NBHFMINHJTYWGH-HNNXBMFYSA-N 361.490 0.960 0 40 FCAB CNC(=O)[C@H]1C[C@@H]2CN(Cc3csc(C)n3)C[C@@H]2N1S(C)(=O)=O 96182838 ZHXGYPWWQAAQIR-RTXFEEFZSA-N 358.489 0.032 0 40 FCAB Cc1ccc(C(=O)O)cc1N1C(=O)C[C@@H](SC[C@H](N)C(=O)O)C1=O 101273489 NXIDAJAGJUBSJQ-GXSJLCMTSA-N 352.368 0.470 0 40 FCAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H]([C@H](C)O)C3)C2=O)cc1 108176246 WAVQPBUYCLCFRD-NJSLBKSFSA-N 359.426 0.991 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2nccnc2-c2nccn2C)C1 257208475 BMHVEULQHBFNDG-ZDUSSCGKSA-N 364.475 0.938 0 40 FCAB Cc1cc(C)n2ncc(CN3C[C@@H](O)[C@H](NC(=O)c4cc[nH]n4)C3)c2n1 257337160 YRRNTUQMPIMDNW-HUUCEWRRSA-N 355.402 0.044 0 40 FCAB Cc1cc(CN2Cc3cncn3[C@H](C(=O)N3CC(F)(F)C3)C2)n(C)n1 306140424 UTJCJJLFMDKJML-AWEZNQCLSA-N 350.373 0.959 0 40 FCAB NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 332107409 FLLPOZWTKTUJJS-VXGBXAGGSA-N 369.418 0.458 0 40 FCAB CC(C)(C[C@H]1CCCN(C(=O)CCn2cnc3c(N)ncnc32)C1)C(N)=O 615677915 JMXCFDSTOIHPQH-GFCCVEGCSA-N 373.461 0.939 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(S(=O)(=O)Cc2ccc(C)cc2F)C1 643695854 BOZBNEMEUSCDDB-MRXNPFEDSA-N 358.435 0.927 0 40 FCAB COc1ccc(C(=O)N2CCO[C@@H](CN(CC(=O)O)C(C)=O)C2)cc1F 681941978 SZICUAXMNBRSPA-CYBMUJFWSA-N 368.361 0.608 0 40 FCAB COCCn1cnc2c(c1=O)OCCN(C(=O)c1ncnc(C)c1C)C2 1565554225 UPHMZVPAJATWQR-UHFFFAOYSA-N 359.386 0.331 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)CCc2cn(C)c3ccccc23)CCN1C(C)=O 1848353745 PCBBTNHJUFBZJP-GOSISDBHSA-N 370.453 0.916 0 40 FCAB COC(=O)CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 2658767 XJUSFZBHBHYTJX-OAHLLOKOSA-N 353.762 0.396 0 40 FCAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n(N)c1=O 3341638 BYSXDCCNWIFYLV-UHFFFAOYSA-N 371.325 0.713 0 40 FCAB CCOC(=O)[C@@H]1C(=O)NC(C(=O)OCC)(C(=O)OCC)[C@H]1[C@H](C)CC 4897387 TWEJOQSOWLBDGC-WOPDTQHZSA-N 357.403 0.823 0 40 FCAB COc1ccc(NC(=O)CNC(=O)c2ccco2)cc1S(N)(=O)=O 6509418 DCJZZUXRXIYFKV-UHFFFAOYSA-N 353.356 0.304 0 40 FCAB Cc1ccnc2nc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)nn12 6589687 YTAIYFFYRUEBBN-UHFFFAOYSA-N 360.399 0.935 0 40 FCAB COC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 8404844 RAIJCOGCARPKON-GFCCVEGCSA-N 372.443 0.481 0 40 FCAB C[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1ccc(S(N)(=O)=O)cc1 9315620 CTHIDYDWVBBYPV-LLVKDONJSA-N 372.410 0.801 0 40 FCAB CNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)OCCO2 11689692 VTOHALQRJAAPEH-UHFFFAOYSA-N 366.395 0.988 0 40 FCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022078 AWHPEGKWPUMIRZ-VHXFFBPGSA-N 370.409 0.081 0 40 FCAB CC1=NCCN1S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C 19796391 ALERNXSNYVCQAN-UHFFFAOYSA-N 371.440 0.484 0 40 FCAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)NC(C)C 25389493 PTSAUJRCVZTNLM-UHFFFAOYSA-N 368.386 0.168 0 40 FCAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 29677597 WVCHUJUDLDVXCR-LSDHHAIUSA-N 367.494 0.239 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1COc2ccccc2O1 31173619 DGNRKCOGLMFVCT-ZIAGYGMSSA-N 368.455 0.452 0 40 FCAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCNC2)c1 71397455 QRQHSBULYWAUOR-VIFPVBQESA-N 352.865 0.774 0 40 FCAB CSC[C@H](CCO)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 89745625 LIWFEFFZJGWAMP-JTQLQIEISA-N 359.473 0.269 0 40 FCAB COCC(=O)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1 96087793 OCFGPLWUBYMMPJ-HUUCEWRRSA-N 353.444 0.481 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1 96216763 OLBSEPRRENURMU-UKRRQHHQSA-N 355.464 0.709 0 40 FCAB CN1CCN(C[C@H]2CO[C@]3(CCCN(C(=O)c4cnccn4)C3)C2)CC1 96228452 POUIBKNFXSRTBP-QFBILLFUSA-N 359.474 0.735 0 40 FCAB COc1ccccc1N1C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)O)C1=O 101273623 TTWJCUDIYITGDK-ZWNOBZJWSA-N 366.395 0.650 0 40 FCAB O=C(O)COCC(=O)N1CC[C@H](C(=O)Nc2cc(Cl)ccc2O)C1 225441070 WUDOUVDVGGAZOQ-VIFPVBQESA-N 356.762 0.934 0 40 FCAB biogenic,in-vitro CNC(=O)[C@H]1COC2(CN(C(=O)Cc3ccc(F)cc3OC)C2)CN1C 253612985 IMYPBPZRNBEGGF-CQSZACIVSA-N 365.405 0.034 0 40 FCAB O=C1CN([C@@H]2CCC[C@@H](NC(=O)c3ccc4c(c3)CCC4)[C@H]2O)CCN1 257204256 ATSKWIFTKSCXER-ZHALLVOQSA-N 357.454 0.619 0 40 FCAB Cc1ccc(CN2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)s1 257339952 ZDWZHRMKIZSIIR-HIFRSBDPSA-N 353.469 0.851 0 40 FCAB CNC(=O)[C@]1(C)CN(CC2(O)CCN(c3ccccc3F)CC2)CCO1 585287554 YUDWKIMQNPCOKZ-SFHVURJKSA-N 365.449 0.994 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@@H](NC(=O)c1cc(OC)no1)CC2 1565555473 IOLGIQUZUFCQQC-JTQLQIEISA-N 363.374 0.001 0 40 FCAB COc1ccc(OC)c(NC(=O)CSc2nnc(C)c(=O)n2N)c1 2455504 IUQZOKHOYGQLKK-UHFFFAOYSA-N 351.388 0.409 0 40 FCAB Nc1cc(N)nc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1 3605740 NFPZASHSMULCSP-UHFFFAOYSA-N 362.415 0.311 0 40 FCAB CCCn1c(=O)c2c(nc(N3CCN(N=O)CC3)n2CCC)n(C)c1=O 4697388 MOFNCHKFCLAGFG-UHFFFAOYSA-N 363.422 0.520 0 40 FCAB Cn1c(=O)c2c(nc(Cl)n2CN2C(=O)c3ccccc3C2=O)n(C)c1=O 5938703 JWYRVERKLRWEMA-UHFFFAOYSA-N 373.756 0.341 0 40 FCAB COC(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)OC 6760393 DLLLYDGNDDZFNZ-UHFFFAOYSA-N 374.434 0.962 0 40 FCAB COC(=O)c1cccc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 7416596 MAZHRFZTWXTNMU-UHFFFAOYSA-N 362.773 0.922 0 40 FCAB COCC(=O)NCCn1ncc2c(=O)n(Cc3cccc(C)c3)cnc21 12072233 QUWVFEAYMPDESW-UHFFFAOYSA-N 355.398 0.712 0 40 FCAB O=c1[nH]c(=O)c2cc(S(=O)(=O)N(Cc3ccccn3)C3CC3)ccc2[nH]1 12362078 IFDZXOIHHOXGJV-UHFFFAOYSA-N 372.406 0.965 0 40 FCAB Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccc(F)c(F)c2)n(C)c1=O 12535517 CQGWYUPQOZDNNF-UHFFFAOYSA-N 363.324 0.741 0 40 FCAB CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164384 BXURIXQJGRLXMJ-KRWDZBQOSA-N 372.469 0.852 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCC2(C)COC2)C1 19716414 XCNAXLLTNNSUJQ-ZDUSSCGKSA-N 370.475 0.282 0 40 FCAB CC(C)c1cc(O)cc(C(C)C)c1O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O 22061026 OCSNDZGMSQTRGL-SLUQVRSJSA-N 370.398 0.910 0 40 FCAB COc1ccc(C)cc1CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 22916086 CYTLPLUEMQCZQM-HZPDHXFCSA-N 354.472 0.279 0 40 FCAB COc1ccc(OC)c(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)c1 32647264 XCCJKVVVKQXQEM-UHFFFAOYSA-N 358.358 0.489 0 40 FCAB CCOC(=O)C1(NC(=O)c2cn(CC(=O)N(C)C)nn2)CCCCC1 56985589 LBYJCLRLNUQLCU-UHFFFAOYSA-N 351.407 0.362 0 40 FCAB CCOC(=O)CN(C(C)C)S(=O)(=O)c1cccc(-n2cnnn2)c1 58210570 ZAHBCPVRPMTAMM-UHFFFAOYSA-N 353.404 0.625 0 40 FCAB Cn1cc(S(=O)(=O)N2CCN(CCOC(C)(C)C)CC2)cc1C(N)=O 58217649 ZONZWHCOESFOFP-UHFFFAOYSA-N 372.491 0.245 0 40 FCAB COCCNC(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O 67300859 OVIUBNWJHBIZSE-UHFFFAOYSA-N 363.389 0.655 0 40 FCAB COc1ccc(NC(=O)C[C@H](CN2CCN(CCO)CC2)C(=O)O)cc1 71282327 DPAWBSABRRMLNP-CQSZACIVSA-N 365.430 0.335 0 40 FCAB Cc1n[nH]c(CN(C)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 79095520 ZSVAOXFMJIYYEC-UHFFFAOYSA-N 373.460 0.184 0 40 FCAB Cc1nn(C)c(C)c1CNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 85879896 SZVFGTAFVMUWFG-OAHLLOKOSA-N 355.398 0.794 0 40 FCAB biogenic CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cnn(CC(F)F)c2)C1 92820844 PRFCQPBYMKGQII-JTQLQIEISA-N 351.379 0.694 0 40 FCAB Cc1ccc(C)c(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)N(C)C)c1 113942923 RVGUYJKUAFQDLN-UHFFFAOYSA-N 368.503 0.690 0 40 FCAB COc1cc(N2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)ncn1 248050357 QSFWOCNGWIWKRJ-ZDUSSCGKSA-N 372.429 0.634 0 40 FCAB Cn1cc(CCC(=O)N2C[C@@H](O)[C@H](Oc3ccc(C(=O)O)cc3)C2)cn1 257282665 OURZPORSAKVJRK-HZPDHXFCSA-N 359.382 0.702 0 40 FCAB CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3ocnc3C)[C@H]2O)CC1 257284015 PAXBWKOOSKKOOS-RBSFLKMASA-N 350.419 0.111 0 40 FCAB CN(C)CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3cccs3)C[C@@H]1C2 306127963 GMELAXYYKPSLJB-UONOGXRCSA-N 374.514 0.935 0 40 FCAB O=C(C1CC1)N1C[C@H]2c3nn(Cc4ccccc4)c(=O)c(=O)n3C[C@H]2C1 306130303 JBYAIQVCPUBOFQ-HUUCEWRRSA-N 352.394 0.419 0 40 FCAB CCn1cnc2c(c1=O)CCN(C(=O)c1cn(C)nc1[C@H]1CCCNC1)C2 333583897 OHBBWGSMTYDFTB-ZDUSSCGKSA-N 370.457 0.662 0 40 FCAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(S(=O)(=O)C(F)(F)F)C2 575403622 JFCUKSBFTUZHEX-MRVPVSSYSA-N 362.395 0.501 0 40 FCAB O=C(O)CN1CCCC[C@@H](NC(=O)[C@]2(c3ccccc3)CCNC2)C1=O 630577725 VQIDZRBIVLWTCX-DNVCBOLYSA-N 359.426 0.500 0 40 FCAB COCCOc1ccccc1CNC(=O)[C@H]1Cn2c(C)nnc2CN1C 644313032 BJCYPOORIBWXOZ-OAHLLOKOSA-N 359.430 0.742 0 40 FCAB O=C(NCC(F)(F)F)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713706 ABOJNPOSJOABAS-JTQLQIEISA-N 360.336 0.596 0 40 FCAB CN(C)S(=O)(=O)N1C[C@@H](OCCCn2cccn2)[C@@H]2OCCC[C@H]21 2055738927 ATAYJSLXICMCGX-RBSFLKMASA-N 358.464 0.328 0 40 FCAB CC(=O)c1cc(C(=O)N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)n[nH]1 2055750668 ORPWWRLZCOKCSN-QGZVFWFLSA-N 356.386 0.615 0 40 FCAB CN1Cc2ncc(-c3cnn(C)c3)n2C[C@@]12CCN(C(=O)[C@H]1CCOC1)C2 2055773044 OKCHATUBERSYNP-LIRRHRJNSA-N 370.457 0.737 0 40 FCAB C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 2629337 BHDWDRBQSKXYRA-NSHDSACASA-N 371.349 0.926 0 40 FCAB O=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 3888659 PDGGGTAUHVTAJJ-UHFFFAOYSA-N 356.400 0.242 0 40 FCAB CCc1cccc(OC[C@H]2Cn3c(nc4c3c(=O)n(C)c(=O)n4C)O2)c1 4371060 VKDLPAOVRLBXNV-CYBMUJFWSA-N 356.382 0.836 0 40 FCAB COCCNC(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 6739032 VTJPYXBISMNNMP-STQMWFEESA-N 369.468 0.743 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H]1c1cccs1)c(=O)n2C 7988834 DZPKMOPXJAYXLP-LLVKDONJSA-N 373.438 0.859 0 40 FCAB COCCNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccn1 8993122 FQIRBQYWDJRVMP-UHFFFAOYSA-N 356.382 0.713 0 40 FCAB CN1C(=O)NC2(CCN(CC(=O)Nc3ccc(F)cc3F)CC2)C1=O 9660753 UTGFKBXSAOKMOC-UHFFFAOYSA-N 352.341 0.920 0 40 FCAB CC(=O)Nc1nonc1-c1nnc(SCC(=O)N2CCCCC2)n1C 9878138 YXUTZQUZWKUAPQ-UHFFFAOYSA-N 365.419 0.928 0 40 FCAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1n[nH]c(N)n1)n2CC 12529942 MXIGEXYNJXBRRF-UHFFFAOYSA-N 364.435 0.699 0 40 FCAB CCOC(=O)C1=C(COC(=O)c2nc3nc(C)cc(C)n3n2)NC(=O)NC1 13000826 QJCKKUSATYSWPS-UHFFFAOYSA-N 374.357 0.028 0 40 FCAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCOCC1 16642767 JCGXLKOLVNDKSO-UHFFFAOYSA-N 368.455 0.499 0 40 FCAB CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)CN2CCOCC2)c1 19717762 RCHQEWONCLXASG-MRXNPFEDSA-N 374.441 0.308 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 21489173 MVQBPDWMITVFJG-UHFFFAOYSA-N 365.459 0.907 0 40 FCAB CC(C)n1nccc1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 22290676 NCCODVCONUVKID-UHFFFAOYSA-N 359.390 0.240 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1ccc(Br)cc1 25032908 XFRXGQFDAIIXCY-LBPRGKRZSA-N 369.215 0.882 0 40 FCAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC2CCC2)c1 26139112 WCVFQDONIMDKLL-UHFFFAOYSA-N 353.444 0.701 0 40 FCAB O=C(CN1CCN(C(=O)c2ccc(-n3cncn3)cc2)CC1)NC1CC1 35326394 HNDGKARGODUDPT-UHFFFAOYSA-N 354.414 0.304 0 40 FCAB C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)C(=O)N(C)C 40121204 HUXFDBFJHSCCJW-GXTWGEPZSA-N 353.444 0.433 0 40 FCAB C[C@@H]1COCCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F 48324078 ISWSUIBXJSMNBM-SECBINFHSA-N 352.409 0.607 0 40 FCAB C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 61997237 VQUYNKNPSFGGHJ-LBPRGKRZSA-N 354.428 0.995 0 40 FCAB COC(=O)CN(C)C(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 95349972 PFUSXKMTHSYYGV-STQMWFEESA-N 354.403 0.600 0 40 FCAB CS(=O)(=O)CC(=O)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 96110433 UQGVMHWGXJDPKY-CJNGLKHVSA-N 354.428 0.513 0 40 FCAB Cc1cc(N2CCC[C@@H](NS(=O)(=O)Cc3ccon3)C2=O)n(C)n1 97009994 HWTYSJMEZYBCDR-GFCCVEGCSA-N 353.404 0.332 0 40 FCAB Cn1ccnc1CN1CCOC[C@]2(C[C@@H](CNc3ncccn3)CO2)C1 107243652 SHNARACYDASRPU-YJBOKZPZSA-N 358.446 0.930 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccsc2)N2CCC2)C1=O 225594506 JGTMGISDKXYEJK-GFCCVEGCSA-N 372.472 0.902 0 40 FCAB CS(=O)(=O)NC[C@H]1CCC2(CN(C(=O)Cc3ccc(F)cc3)C2)OC1 247510212 ICVIIWYRKOGBSK-CQSZACIVSA-N 370.446 0.925 0 40 FCAB CC(=O)N[C@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@H]1OCCc1ccccc1 247968665 XTDWBJYOEJCBLM-DISONHOPSA-N 365.426 0.988 0 40 FCAB biogenic Cc1ccc(C(=O)N2CC3(C2)OCC[C@@H]3CCNS(C)(=O)=O)cn1 248065207 DRRKYNVJKZYJNS-AWEZNQCLSA-N 353.444 0.560 0 40 FCAB CCn1nc(C(=O)N2CCC3(CC2)C[C@H](NC)[C@@](C)(O)CO3)cc1C 257224039 FAAYOZCLNRANIC-RDJZCZTQSA-N 350.463 0.946 0 40 FCAB CCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)c2ccn(C)n2)CC1 306135749 OZROEOGJRVWLKQ-UHFFFAOYSA-N 371.445 0.630 0 40 FCAB CN1C(=O)N[C@@]2(CCN(C(=O)NCc3ncnn3-c3ccccc3)C2)C1=O 563899704 AWHCJVPKOJFLDA-QGZVFWFLSA-N 369.385 0.103 0 40 FCAB O=C(Cn1ncccc1=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575617357 OAGLICORUZNGKB-CQSZACIVSA-N 365.393 0.817 0 40 FCAB CN(Cc1nncn1C)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 585083402 MMZRLXWUSIUNTR-UHFFFAOYSA-N 363.443 0.776 0 40 FCAB CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)CNS(C)(=O)=O)C1 585276526 MIAXXWYARYSVKP-MRXNPFEDSA-N 356.444 0.541 0 40 FCAB Cc1noc([C@@H]2CN(C3CN(C(=O)c4cnn(C5CC5)c4)C3)CCO2)n1 685942635 QCPDRIYDUNNPMS-HNNXBMFYSA-N 358.402 0.807 0 40 FCAB COc1cnc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CC2)=NO3)nc1 1565544587 MNDIVZBUDUGEAG-UHFFFAOYSA-N 359.386 0.515 0 40 FCAB Cc1nc(NC(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1-c1cnn(C)c1 1677813037 QYKKXLATEYOQRO-BETUJISGSA-N 354.370 0.527 0 40 FCAB O=C(Cn1ccccc1=O)N1C[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 2055750632 LETOKJARJSKMEB-IRXDYDNUSA-N 354.410 0.355 0 40 FCAB CS(=O)(=O)N1CC[C@@H]2CN(C(=O)COc3cc(F)ccc3F)C[C@@H]21 2055771752 UOZYWNAJLXFRRB-MFKMUULPSA-N 360.382 0.836 0 40 FCAB COc1nn(C)cc1C(=O)N1CCC(C(=O)N(C)C)(n2cccn2)CC1 2055772296 RTDYIZTXDBUVJX-UHFFFAOYSA-N 360.418 0.345 0 40 FCAB CCCn1c(N)c(C(=O)CSc2nncn2C(C)C)c(=O)[nH]c1=O 5417359 BQYGOOOJNOEBPB-UHFFFAOYSA-N 352.420 0.676 0 40 FCAB CN(C)C(=O)CNC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 8312412 ZZSVJGIYMOXHCE-MRXNPFEDSA-N 364.427 0.036 0 40 FCAB CN(CCOc1ccc(F)cc1)C(=O)Cn1cnc2c(cnn2C)c1=O 10281385 UQZQGTMHBYQMJC-UHFFFAOYSA-N 359.361 0.807 0 40 FCAB COCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 19796985 IMOVKICLEOVWTK-GJZGRUSLSA-N 361.485 0.560 0 40 FCAB C[C@H](C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)n1ccnc1 44870126 VBVJEGBZLJQXTD-PBHICJAKSA-N 370.409 0.955 0 40 FCAB C[C@H](Cn1cccn1)NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 48355264 SKIGPVGMOMCEDN-GFCCVEGCSA-N 353.382 0.659 0 40 FCAB CC(=O)N[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 58209287 WGMPIBFZTJOOMA-CQSZACIVSA-N 371.434 0.621 0 40 FCAB COC[C@H]1CN(CCc2ccccc2)CCN(S(=O)(=O)N(C)C)C1 72354425 SXQAENCUSMLIHO-KRWDZBQOSA-N 355.504 0.916 0 40 FCAB O=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 81250019 DTJSIRVEYAVXOU-UWVGGRQHSA-N 356.366 0.338 0 40 FCAB O=S(=O)(c1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 96000428 DXWHJTMGPQGVTQ-OAHLLOKOSA-N 374.484 0.502 0 40 FCAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2O1 96043267 AKBNABUCLPMFMQ-CFVMTHIKSA-N 353.444 0.479 0 40 FCAB CC(=O)N1CCC[C@@H]1C(=O)NCc1cnc(CC2CCN(C)CC2)cn1 257239971 HRPUWHWYBJYXPC-GOSISDBHSA-N 359.474 0.988 0 40 FCAB Cn1ccnc1COc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 257333316 YBBKKHWKPMXZRJ-OALUTQOASA-N 372.469 0.876 0 40 FCAB CCOCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccccn2)C1 575404843 DSMHTCPETDPGQV-INIZCTEOSA-N 357.414 0.904 0 40 FCAB CCc1cc(C(=O)NC[C@@H]2CN(C(=O)c3cc(CC)[nH]n3)CCN2C)n[nH]1 582306883 KBFPIZPYGXCJCK-CQSZACIVSA-N 373.461 0.444 0 40 FCAB O=S(=O)(N1CCOCC1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 585149251 BCKZPLGSESYDOL-GJZGRUSLSA-N 364.427 0.830 0 40 FCAB CN(C1CN(c2ccc3nncn3n2)C1)S(=O)(=O)N1CCCCCC1 585592373 COEQHOCXWWILEV-UHFFFAOYSA-N 365.463 0.366 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 1565545829 MQJHBSHWYXCMID-BORJPKMPSA-N 362.405 0.706 0 40 FCAB O=C1CO[C@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)CN1CC1CC1 1614929116 DVLFXVPPABGBDT-INIZCTEOSA-N 358.385 0.898 0 40 FCAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)NC(C)C)C[C@@H]4C3)ncnc21 1888883416 KZDAQAQYFGPJPI-KBPBESRZSA-N 373.461 0.959 0 40 FCAB CCS(=O)(=O)N1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771983 ONICWKMDLIRCIN-LBPRGKRZSA-N 368.381 0.702 0 40 FCAB C[C@H]1CN(C(=O)CN2CCN(c3nccc(N(C)C)n3)CC2)C[C@@H](C)O1 2086884732 QOPCFUOJFWARAL-GASCZTMLSA-N 362.478 0.300 0 40 FCAB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NC12CN3CN(CN(C3)C1)C2 666186 KQSSWDYZKRSEMV-REZTVBANSA-N 352.442 0.749 0 40 FCAB CN(C(=O)COC(=O)COc1ccccc1F)[C@H]1CCS(=O)(=O)C1 4195133 DPKHCINCWKGVDW-NSHDSACASA-N 359.375 0.393 0 40 FCAB CC[C@@H](C)c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1 4569033 NZLBBWKRFWAHOK-YOCFGXSPSA-N 353.415 0.523 0 40 FCAB CCc1nn2c(=O)cc(COC(=O)CNC(=O)c3ccco3)nc2s1 5321254 KMQBEVKKGSYHOW-UHFFFAOYSA-N 362.367 0.780 0 40 FCAB CCCNC(=O)[C@@H](C)NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 7637408 JWBLDVMSFZDOMM-GFCCVEGCSA-N 352.435 0.662 0 40 FCAB CCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc(F)c(Cl)c1 7783297 MCOLFXHRKUTQMR-UHFFFAOYSA-N 366.798 0.827 0 40 FCAB COc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 8853093 XHEUQHLERWYLJA-GFCCVEGCSA-N 365.411 0.799 0 40 FCAB COCCNC(=O)Cn1cc(OCc2ccccc2F)c(=O)cc1CO 12231009 MGWNMYZMEZEJCA-UHFFFAOYSA-N 364.373 0.821 0 40 FCAB CCCNC(=O)Cn1c(=O)c(-c2csc(C)n2)c(N)n(CC)c1=O 13016737 AJZKKBHQQHVOPG-UHFFFAOYSA-N 351.432 0.570 0 40 FCAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 13074307 NUMHLYZWEDYCQS-GQCTYLIASA-N 368.411 0.646 0 40 FCAB Nc1nccnc1C(=O)OCC(=O)NCc1cccc(NC(=O)C2CC2)c1 22377185 NIRXZWOJRLVKBH-UHFFFAOYSA-N 369.381 0.881 0 40 FCAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1ccnn1C1CCCC1 22931711 OXWKXFADXNDLQI-UHFFFAOYSA-N 374.489 0.833 0 40 FCAB COC(=O)CCN(C(=O)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 32641485 KWXUGXUTUQMTJZ-AWEZNQCLSA-N 357.403 0.947 0 40 FCAB COc1ccc(C(=O)COC(=O)CCn2ccc(=O)[nH]c2=O)cc1OC 75490499 OTKVMFZEQLVIEE-UHFFFAOYSA-N 362.338 0.370 0 40 FCAB COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NN 95117045 WUYSGWDJIDUTKK-UHFFFAOYSA-N 371.440 0.672 0 40 FCAB COC(=O)C[C@@H](c1ccc(OCC(N)=O)c(OC)c1)c1c(O)n[nH]c1C 95473908 BAWQBOUYRNKNEL-NSHDSACASA-N 363.370 0.991 0 40 FCAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1CCCn2ncnc21 97013373 YZVRAUOJISVAHQ-GFCCVEGCSA-N 370.456 0.803 0 40 FCAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)N2CCN(CC(=O)NC3CC3)CC2)C1 103296666 GQNWCSVOBNBRRG-XHSDSOJGSA-N 350.507 0.776 0 40 FCAB CC(=O)OCC1=C(COC(C)=O)[C@H]2O[C@H]1[C@H](OC(C)=O)[C@@H]2OC(C)=O 104157257 TWKWAKDBYKUGBZ-FPCVCCKLSA-N 356.327 0.054 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)Cc3ccccc3C)C2)CN1CC1CC1 248164994 RBEGBZWXJVTEBY-GOSISDBHSA-N 371.481 0.975 0 40 FCAB CN[C@@H]1CO[C@@H]2CCN(C(=O)CCCn3cccn3)C[C@@H]2C[C@@]1(C)O 257202618 AMQIQOKGCXWUTD-BVIKNXMNSA-N 350.463 0.640 0 40 FCAB CC(=O)N[C@@]12CCN(S(=O)(=O)Cc3ccccc3F)C[C@@H]1CNC2 257213834 CJGGBDOSLSFRQJ-GOEBONIOSA-N 355.435 0.456 0 40 FCAB CC1(C)[C@H]2O[C@H]2[C@H]2[C@@]1(O)[C@@H](O)C[C@]13C[C@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@H]3O 257575380 VUMZHZYKXUYIHM-LHRPBVGHSA-N 368.470 0.185 0 40 FCAB biogenic O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)c3cc[nH]c3)C[C@H]21 585109891 IARNMHVJCWWONP-CQSZACIVSA-N 369.429 0.401 0 40 FCAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)N1CCOCC1 585147739 WCTMXZMMNPGWDZ-UHFFFAOYSA-N 366.443 0.762 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2nn(C)cc2Br)C1 644032705 AQKWTAWOPMDJEI-CYBMUJFWSA-N 359.224 0.286 0 40 FCAB Cc1nc(C(=O)N2CCOC[C@]3(CN(CC4CC4)C(=O)CO3)C2)cs1 1565546640 BIUIHFSVKFQOML-QGZVFWFLSA-N 365.455 0.932 0 40 FCAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)C2CC(O)C2)Cc2ncnn2C1 1565548590 FURTXGRSHMRQND-HWOWSKLDSA-N 369.425 0.324 0 40 FCAB C[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@]12CCN(CCN1CCCC1)C2=O 1614937110 GPUUGVBYNXDDJR-GFAJBQDWSA-N 361.486 0.672 0 40 FCAB COCC(=O)N[C@@H]1CN(Cc2noc(C3CCC3)n2)C[C@H]1c1nccn1C 1615552531 OCYMVGHOYGSQBZ-ZIAGYGMSSA-N 374.445 0.801 0 40 FCAB Cc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)CC(C)C)C[C@H]4C3)nn12 1888859529 LEYUVIIOKLCBTL-OKILXGFUSA-N 364.475 0.787 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)[C@H]5CCCO5)C[C@H]4C3)nn12 1888870107 RVZSXPACQXMPRY-HZSPNIEDSA-N 356.430 0.760 0 40 FCAB Cc1cnc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)cn1 1888904332 WXNNEBKPSBMSSN-STQMWFEESA-N 364.413 0.670 0 40 FCAB O=C([C@H]1CN(c2ncc(Br)cn2)CCO1)N1CCOCC1 1889102304 AUTUBGHGQOBQTM-LLVKDONJSA-N 357.208 0.303 0 40 FCAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 5960100 OEVFQVNRAUUWQR-MNOVXSKESA-N 365.411 0.923 0 40 FCAB CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 8705508 VYGGPYAQWUQVEH-UHFFFAOYSA-N 355.416 0.494 0 40 FCAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)C2=O 8938191 RMWBUQSDKFESQG-HFBAOOFYSA-N 371.459 0.181 0 40 FCAB COc1ccc(C(=O)NCCCO)cc1S(=O)(=O)N1CCCCC1 14291796 SKPAPHKKDCRUFB-UHFFFAOYSA-N 356.444 0.982 0 40 FCAB CC1=NCCN1S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 19796388 NPZBWORKHSLYCJ-UHFFFAOYSA-N 357.413 0.176 0 40 FCAB O=C1CC(=O)Nc2cc(S(=O)(=O)N3CCC[C@H](C(=O)O)C3)ccc2N1 20284476 KIBGXULSYGWVTH-VIFPVBQESA-N 367.383 0.453 0 40 FCAB CS(=O)(=O)N1CCN(CCNC(=O)NCCc2ccccc2)CC1 44226520 HQNLCPVVEIWGHF-UHFFFAOYSA-N 354.476 0.106 0 40 FCAB NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCc2ccccc2C1 58426567 HZGNILRGRPKAJK-KRWDZBQOSA-N 359.451 0.976 0 40 FCAB O=C(NCCCNC(=O)c1ccccc1F)N[C@@H]1CCS(=O)(=O)C1 63293860 KJVYKAYLNDNWIT-LLVKDONJSA-N 357.407 0.432 0 40 FCAB CN1CCc2nc([C@@H]3CCCN(C(=O)[C@@H]4CC(=O)N(C)C4)C3)ncc2C1 72397266 SNPQJXQRTZZUMY-ZIAGYGMSSA-N 357.458 0.649 0 40 FCAB COc1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 75055152 SCOGTZRBTACVQW-OAHLLOKOSA-N 354.428 0.707 0 40 FCAB CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 95373573 JKBBAYOZBJSGSM-OCCSQVGLSA-N 352.412 0.308 0 40 FCAB CCN(CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)[C@H]1CCS(=O)(=O)C1 103282970 UBVLDGGHUHYGFA-XEZPLFJOSA-N 357.476 0.954 0 40 FCAB CN1CCN(C)C2(CCN(C(=O)[C@H](c3ccccc3)n3cnnn3)CC2)C1 106725025 UUJYCLMLCJSFCP-KRWDZBQOSA-N 369.473 0.501 0 40 FCAB O=C(c1ccc(Cl)cc1)N(CCO)CCN[C@H]1CCS(=O)(=O)C1 217372838 QRNYTAJUYNAMLH-AWEZNQCLSA-N 360.863 0.551 0 40 FCAB O[C@H]1[C@H](O)[C@H](O)[C@@H](OCc2ccccc2)[C@H](O)[C@H]1OCc1ccccc1 239562535 AWRJNSJYOXKKTK-YDRVBMSGSA-N 360.406 0.614 0 40 FCAB O=C(NC[C@]1(O)COCCN(Cc2cccc(O)c2)C1)c1cnccn1 257312864 UPWUULGLONTPCF-GOSISDBHSA-N 358.398 0.176 0 40 FCAB CNC(=O)c1cc(C[C@H]2CCCN(S(=O)(=O)N(C)C)CC2)ncn1 257316327 VFCMDUHXYGMZCL-LBPRGKRZSA-N 355.464 0.287 0 40 FCAB Cc1ccc(OCC(=O)N2C[C@H]3OC[C@@H](CNS(C)(=O)=O)[C@H]3C2)cc1 306142793 XKCGKOYLKJYFRV-FVQBIDKESA-N 368.455 0.396 0 40 FCAB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)no1 408654280 GDMZNOPLIHLHET-HKWCOGSCSA-N 373.365 0.660 0 40 FCAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](CNC(N)=O)C2)C1 524929003 NTKBGYZXIGVNQC-RWMBFGLXSA-N 360.480 0.432 0 40 FCAB CN(C)C(=O)COC[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575404328 AXPVEYCVCNMDDP-HNNXBMFYSA-N 358.398 0.891 0 40 FCAB COCCN1CC[C@@]2(CN(C(=O)c3ccncn3)CC(F)(F)C2)C1=O 585093256 LUKHSJXUKHXLTM-OAHLLOKOSA-N 354.357 0.823 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CCOC[C@H]3NC(=O)CC3CC3)CC2)n1 585103906 VXUVWVDLBPQENN-CQSZACIVSA-N 361.446 0.743 0 40 FCAB CN(C)S(=O)(=O)NCCn1nc(-c2ccccc2)n(C2CC2)c1=O 585199056 LHRBZNNBCPRJHL-UHFFFAOYSA-N 351.432 0.443 0 40 FCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2cc[nH]n2)CCO1 585282949 KBGMYLAEPXXDLU-QGZVFWFLSA-N 362.361 0.714 0 40 FCAB O=C(O)CN(C(=O)Cn1nnnc1-c1ccsc1)C1CCOCC1 647733468 CVSDTAGUTGRALB-UHFFFAOYSA-N 351.388 0.494 0 40 FCAB CCN1C(=O)C[C@H](C(=O)N(C)CCn2cccn2)[C@H]1c1cnn(C)c1C 668581021 ZYTLFSKIDABWPZ-YOEHRIQHSA-N 358.446 0.993 0 40 FCAB C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)c1cnnc(O)c1 1092702549 FLRVGPYHBUFICW-MLGOLLRUSA-N 369.425 0.779 0 40 FCAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1C[C@H](CO)[C@@H](CCO)C1 1124101493 DNGPQBMYRIEOQM-WDEREUQCSA-N 361.364 0.840 0 40 FCAB COC[C@@H]1CC2(CCN(C(=O)c3csnn3)CC2)CN1S(C)(=O)=O 1614948543 MNGXOPHYPZMCNC-NSHDSACASA-N 374.488 0.441 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccc(C)nc2)CC1 2055782100 KUHBECDDGQLRHA-UHFFFAOYSA-N 371.441 0.981 0 40 FCAB CCOC(=O)C(=O)N1Cc2cc3c(cc2[C@@H]2C[C@@H](O)[C@@H](O)C[C@H]21)OCO3 5048549 VMWHTRDXLWGFIV-DGAVXFQQSA-N 363.366 0.288 0 40 FCAB COc1ccc(CNC(=O)[C@H](CO)N2C(=O)c3ccccc3C2=O)cc1 6411208 LDBLAWFJIOJHMP-INIZCTEOSA-N 354.362 0.969 0 40 FCAB Cc1ccc(Cn2c(=O)c3c(nc(N4CCOCC4)n3C)n(C)c2=O)cc1 7425789 CPSPVUVJBUXMGA-UHFFFAOYSA-N 369.425 0.627 0 40 FCAB O=C(NCc1ccc(F)cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 9549072 KLOFCUJGKOIBKT-CYBMUJFWSA-N 367.402 0.607 0 40 FCAB CCOC(=O)N1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 13012040 YRFYXGRQWIKGDT-UHFFFAOYSA-N 363.370 0.446 0 40 FCAB NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccs3)CN2C1=O 14743843 CTPDDKRENKFYPV-SRVKXCTJSA-N 350.444 0.075 0 40 FCAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCCN(S(C)(=O)=O)CC1 24921616 XJJNDWWBYCQEBV-AWEZNQCLSA-N 351.472 0.932 0 40 FCAB COCCNC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28209755 HFQRXGBMVSTOND-CYBMUJFWSA-N 370.427 0.446 0 40 FCAB C[C@@H](C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O 48123662 HJECKUUUNQJFHZ-ZDUSSCGKSA-N 357.451 0.497 0 40 FCAB C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)C(=O)N1CCS(=O)(=O)CC1 67278283 JBICVKNSMOQCBS-ZDUSSCGKSA-N 364.467 0.480 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)COCC2CC2)cc1 84620700 RUJBNTQZQKHBJF-OAHLLOKOSA-N 370.471 0.891 0 40 FCAB CS(=O)(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 89882581 FRIZXEPIKMSNLZ-MRXNPFEDSA-N 351.472 0.755 0 40 FCAB CCn1ccnc1CN1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95401454 XOAHYTVWRMGIGL-QGZVFWFLSA-N 371.489 0.950 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102238906 DQAXQMMAGTZHAM-VIRABCJISA-N 364.423 0.516 0 40 FCAB O=C(c1ccccc1)N1CCO[C@@H](CS(=O)(=O)N2CCOCC2)C1 521397056 VOYPQIZOAITHIM-OAHLLOKOSA-N 354.428 0.190 0 40 FCAB CNC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)O)c(Br)c1 580453113 OCDSFHCELPIYBP-UHFFFAOYSA-N 365.205 0.514 0 40 FCAB CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCc3cccnc3N(C)C)C[C@@H]12 660338529 BXHGLNBTLQUNKI-MJBXVCDLSA-N 368.459 0.101 0 40 FCAB COc1ccnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)n1 675721030 YCWZTHLGLFCGLA-UHFFFAOYSA-N 357.418 0.438 0 40 FCAB COCCNC(=O)[C@H]1C[C@@H]2[C@@H](CCN2C(=O)Cc2ccc(F)cn2)O1 1565548262 AIBUMZKWFGQVTG-RBSFLKMASA-N 351.378 0.284 0 40 FCAB CC(=O)N1CCN(Cc2nccn2C)C[C@@H](Cc2cn3ccnc3cn2)C1 2037838707 XKTZEEMXPARFEQ-MRXNPFEDSA-N 367.457 0.986 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CCSc1ncccn1 812594 CSCANSOYCCDCRA-UHFFFAOYSA-N 373.442 0.606 0 40 FCAB biogenic Cc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)NC(C)(C)C)s1 6084328 ZOASTVSBKUXZGO-UHFFFAOYSA-N 355.416 0.954 0 40 FCAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1 12373994 NOEDCWBDGYXKJP-UHFFFAOYSA-N 368.397 0.232 0 40 FCAB O=C(CN1C(=O)CNC1=O)N1CCc2onc(Nc3ccccc3F)c2C1 19350093 RHXLIEJZLASUBG-UHFFFAOYSA-N 373.344 0.994 0 40 FCAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCc1cccnc1 31819653 KTCJWLLFEODONB-KBPBESRZSA-N 368.459 0.209 0 40 FCAB COC(=O)CCN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 32641483 KWXUGXUTUQMTJZ-CQSZACIVSA-N 357.403 0.947 0 40 FCAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccccc1Cl 36357021 QGJPFVAWHCZWTG-CMPLNLGQSA-N 373.862 0.831 0 40 FCAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1=O 40024646 LRGRCSBHRIXIHN-RYUDHWBXSA-N 352.412 0.446 0 40 FCAB CN(CC(=O)NCc1ccc(-n2cncn2)cc1)[C@@H]1CCS(=O)(=O)C1 53544307 NMDDKAVPMTXBTA-OAHLLOKOSA-N 363.443 0.002 0 40 FCAB COCC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC(C)C)Cn1ccnc12 96144758 YXSUYKOPSUDDKL-CQSZACIVSA-N 364.446 0.518 0 40 FCAB c1cc(N2CC[C@]3(COCc4cnc(N5CCOCC5)nc43)C2)ncn1 96244170 MJOPNRZYRXKKGF-GOSISDBHSA-N 354.414 0.782 0 40 FCAB CCOC(=O)C1=C[C@@](C)(C(=O)OCC)Nc2c(nc(OC)[nH]c2=O)N1 102969316 QHRNOGTYRKVLBW-HNNXBMFYSA-N 352.347 0.385 0 40 FCAB CC(=O)NCC(=O)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 108534493 BDBGGROZHSHLNX-UHFFFAOYSA-N 358.442 0.949 0 40 FCAB O=S(=O)(N1CCOCC1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220786485 IDHNYVKZCIZPPU-LBPRGKRZSA-N 356.448 0.779 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cnc(-c3ncc[nH]3)cn2)CC1 257296930 RFAZRGPPPWDDIP-UHFFFAOYSA-N 350.448 0.928 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CCN(C)c2ccc(F)cc2)CCN1C(C)=O 257334871 YHSXLJPQSNRLGB-INIZCTEOSA-N 364.421 0.457 0 40 FCAB CCOC(=O)COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 408598222 YDKRDKGWVXISEK-UHFFFAOYSA-N 372.443 0.239 0 40 FCAB O=C(CSc1nc2ccccc2nc1N1CCCC1)N1C[C@H](O)[C@@H](O)C1 628526300 VEHJAXMCLXYGIW-GJZGRUSLSA-N 374.466 0.886 0 40 FCAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)C1 629896543 REUWTDIKTGUZGR-BARDWOONSA-N 371.503 0.469 0 40 FCAB O=C(CN1CCCC[C@H](O)C1=O)N1CCN(c2ncccc2F)CC1 644409948 OHYQZMIJBIDCIF-AWEZNQCLSA-N 350.394 0.243 0 40 FCAB C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 650232839 OZXOKXADYOYAOV-BXKDBHETSA-N 353.400 0.503 0 40 FCAB CN1CC[C@H]2OCCN(C(=O)CCCS(=O)(=O)N3CCCC3)[C@H]2C1 671520174 GOACVAJUNGRQSI-LSDHHAIUSA-N 359.492 0.124 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C3(c4ccccc4)CCC3)C2)C1 685941231 AQSNRRLQHWQWEJ-CQSZACIVSA-N 355.438 0.914 0 40 FCAB Cn1c(=O)c2c(nc(SCC(=O)NC3CCCC3)n2C)n(C)c1=O 1222729 WYPSCENSAYDZQI-UHFFFAOYSA-N 351.432 0.122 0 40 FCAB Cc1ccc(Sc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1 5707089 ZDAQKEGYECYJHL-ZCTGUTNYSA-N 374.422 0.897 0 40 FCAB COc1ccnc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1)c(=O)n2C 9571594 RWJZWRLPBBIZIX-UHFFFAOYSA-N 358.329 0.882 0 40 FCAB COCCCNC(=O)CN(C)S(=O)(=O)c1ccc(CCC(=O)O)cc1 13252241 WNWSQTAHJLWFQW-UHFFFAOYSA-N 372.443 0.477 0 40 FCAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C[C@@H](C)O1 13305863 PASMQCFFKFIPNI-OKILXGFUSA-N 368.455 0.957 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCC(=O)O)CC2)cc1 17076289 AVAQRAPKSMVWIR-UHFFFAOYSA-N 372.468 0.646 0 40 FCAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CN(c2ncccn2)CCO1 19747317 MCXFWLQMYMLUCG-CQSZACIVSA-N 354.370 0.168 0 40 FCAB CC(=O)N1CCN(C(=O)CCN2C(=O)NC3(CCCCC3)C2=O)CC1 27476888 PPRYOWCPENKQKV-UHFFFAOYSA-N 350.419 0.322 0 40 FCAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 30848498 OLWWGYXVJVZIAC-GFCCVEGCSA-N 350.371 0.849 0 40 FCAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1 32908399 LMKQUSRRIYAUER-ZDUSSCGKSA-N 362.430 0.367 0 40 FCAB CCOC(=O)[C@@H]1CCCCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 36646445 HEGFSQOHYGYXFG-AWEZNQCLSA-N 369.443 0.690 0 40 FCAB CNC(=O)NC(=O)CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52110848 HLCIDSCGYXINAN-UHFFFAOYSA-N 356.785 0.693 0 40 FCAB NS(=O)(=O)c1cccc(NC(=O)CN2CCS[C@H]3COCC[C@@H]32)c1 84379864 KVTXQFZDZQUJJV-KBPBESRZSA-N 371.484 0.479 0 40 FCAB CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 95396657 OLRRSOVTOJLJAL-CYBMUJFWSA-N 354.432 0.942 0 40 FCAB CCS(=O)(=O)N1CCC2(CC1)CN(C(C)=O)C[C@]21CCN(C)C1=O 96036407 VFJWTSIPKZVFDO-INIZCTEOSA-N 357.476 0.129 0 40 FCAB O=C(NCc1ccco1)C1=NO[C@@]2(CCN(S(=O)(=O)C3CC3)C2)C1 96225895 AUDXMUIHMSWJFT-HNNXBMFYSA-N 353.400 0.609 0 40 FCAB Cn1nc2c(cc1=O)C[C@H](NC(=O)Cn1cnc3ccccc3c1=O)CC2 225787193 UXBKILUTZRGDNR-CYBMUJFWSA-N 365.393 0.164 0 40 FCAB Cc1nc(O)cc([C@@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)n1 257249025 JGJKSYLMEGOFHH-AWEZNQCLSA-N 356.448 0.288 0 40 FCAB C[C@@]1(O)CCN(S(=O)(=O)N2CCOCC2)C[C@H]1Oc1ccccc1 257255037 KFUZMGABZIECOF-HZPDHXFCSA-N 356.444 0.468 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)NC[C@@]1(O)CCN(c2ccccn2)C1 257331098 XRIOQKYYCTWTHY-HNNXBMFYSA-N 351.432 0.043 0 40 FCAB CCNC(=O)NC[C@H]1CC[C@]2(COCCN(Cc3cnn(CC)c3)C2)O1 306137006 QIVHSWUIAWLHIF-AEFFLSMTSA-N 365.478 0.972 0 40 FCAB CC(C)c1nncn1CCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 332913527 NPWJBQCIZOFEKW-HOCLYGCPSA-N 373.461 0.861 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N[C@]2(CO)COc3ccccc3C2)CC1 529819929 MKSVMCUPWVVLNN-QGZVFWFLSA-N 368.455 0.140 0 40 FCAB CN(C)CCOc1ccc(CN2CC[C@](O)(CN3CCOCC3)C2)cc1 585274450 XCSKZPYWGAPITE-FQEVSTJZSA-N 363.502 0.896 0 40 FCAB CNC(=O)C[C@@]1(COC)CN(C(=O)c2ccc3c(c2)OCO3)CCO1 585276587 BNXJRXSZSWHCOW-KRWDZBQOSA-N 350.371 0.409 0 40 FCAB O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)C1CC1)C2 604381749 MQBIAYNXWWFFBO-OAHLLOKOSA-N 373.428 0.973 0 40 FCAB biogenic,in-vitro CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 681943205 UMHCJNDIPVTUHW-SFHVURJKSA-N 374.437 0.878 0 40 FCAB CCS(=O)(=O)N1C[C@@H]2C[C@@H]3CN(C(=O)c4csc(C)n4)C[C@@]2(C1)O3 2055844913 XVTQUOVHMLTMRZ-ZOWXZIJZSA-N 371.484 0.717 0 40 FCAB Cc1cc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n2ncnc2n1 2086884704 LHFLFQVPOXVHNW-LBPRGKRZSA-N 366.372 0.896 0 40 FCAB COCCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 2065586 VQMBZMIOQRXTPV-UHFFFAOYSA-N 351.222 0.490 0 40 FCAB CC(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)O 4264722 VBVNAGGXPWGYAJ-GSTJWYSLSA-N 373.402 0.608 0 40 FCAB CC(C)CNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccccc1 4569128 XVGSBKNIWCQOCO-CQSZACIVSA-N 367.471 0.728 0 40 FCAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3CCO)c2=O)cc1 4940513 PSBRHFUVOUKSJK-UHFFFAOYSA-N 355.354 0.427 0 40 FCAB CC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 6514883 YMMAAUXCJNPYFI-UHFFFAOYSA-N 361.354 0.701 0 40 FCAB CC(C)Cn1c(N)c(C(=O)CSc2nnc(C3CC3)[nH]2)c(=O)[nH]c1=O 11572219 NYWQXJBFTHSVIG-UHFFFAOYSA-N 364.431 0.745 0 40 FCAB Cn1c(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc(=O)n(C)c1=O 14160617 BUHVGGADRONMMQ-UHFFFAOYSA-N 369.425 0.564 0 40 FCAB CN1C(=O)COc2ccc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc21 19460073 ICOOSGMZIXRQRI-GOSISDBHSA-N 372.381 0.701 0 40 FCAB Cc1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1N1CCCC1=O 23006333 AQIAFVXEPLCYRV-UHFFFAOYSA-N 374.441 0.509 0 40 FCAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCc1ccccn1 31817604 NQOHFOSHEQCZNP-AWEZNQCLSA-N 352.394 0.867 0 40 FCAB NS(=O)(=O)c1cc(C(=O)NC[C@@H]2COc3ccccc3O2)cs1 32843746 FIERMGGABBVGNI-SNVBAGLBSA-N 354.409 0.965 0 40 FCAB Cc1ccc(N2C[C@@H](C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 39996813 HNFQQSKNCFCQAK-ZFWWWQNUSA-N 350.440 0.993 0 40 FCAB Cn1c(=O)c2[nH]c(CN3CCN(c4ccccc4F)CC3)nc2n(C)c1=O 57196677 NJYQKVUOYNCWNQ-UHFFFAOYSA-N 372.404 0.422 0 40 FCAB COC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cnccn3)CC2)cc1 58308071 UQTJMXNVUBKMED-UHFFFAOYSA-N 354.366 0.861 0 40 FCAB CC(=O)Nc1cccc(NC(=O)C[C@@H](CN2CCN(C)CC2)C(=O)O)c1 71286937 YVWIISMZZBDTGS-AWEZNQCLSA-N 362.430 0.922 0 40 FCAB CCN(C(=O)[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 78062251 LWTIOHAEMYSEDG-IAGOWNOFSA-N 366.483 0.923 0 40 FCAB C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)COCC(F)(F)F)CC1 88212264 DUFZILFMPNQWLK-GFCCVEGCSA-N 351.369 0.720 0 40 FCAB COC(=O)c1sccc1NC(=O)C(=O)NC1CCN(C(=O)OC)CC1 95461327 ZBBBKBMIPQANIH-UHFFFAOYSA-N 369.399 0.820 0 40 FCAB O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1C[C@@H]1c1nc[nH]n1 95993619 MIIRPNLOWPWOIQ-RYUDHWBXSA-N 369.834 0.656 0 40 FCAB CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)CC)C[C@@H]32)C(=O)N1CCOC 96261671 HNGIULAEFQCGEV-DVOMOZLQSA-N 357.476 0.714 0 40 FCAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(N)=O)s1 222881766 YHAZGWQEUOZGHC-UHFFFAOYSA-N 355.401 0.786 0 40 FCAB Cc1cnc(NCC[C@@H]2CCOC23CN(S(=O)(=O)N(C)C)C3)nc1 247957524 PEGVKYGOUSKXNU-CYBMUJFWSA-N 355.464 0.484 0 40 FCAB Cc1ncc(CNS(=O)(=O)c2cn(C)cn2)c([C@H]2CCCN2C)n1 257203243 APEVTBLHEWIFHU-CYBMUJFWSA-N 350.448 0.764 0 40 FCAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)c1n[nH]c2c1CCCC2 257300861 RVZAZDMWKIIQNB-GOSISDBHSA-N 356.430 0.792 0 40 FCAB CN(CCO)[C@H]1[C@H](NC(=O)c2cncn2C)C[C@@H](Oc2ccccc2)[C@@H]1O 257324928 WQUCMQLAIGHRCY-BGTYHANMSA-N 374.441 0.023 0 40 FCAB Cc1ccccc1OCC(=O)N1C[C@H]2OC[C@@H](CNS(C)(=O)=O)[C@H]2C1 306124866 CBCJNRZTBNQSAF-IIAWOOMASA-N 368.455 0.396 0 40 FCAB O=C(N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O)C1(F)CC1 306134522 NPYJZIKOHYTCKA-NSHDSACASA-N 355.391 0.373 0 40 FCAB COc1ccc2nnc(CCC(=O)N[C@@H](CO)Cc3ccccc3)n2n1 504472684 RMYIEPLRYXVCDL-CQSZACIVSA-N 355.398 0.785 0 40 FCAB CCn1c(C)nnc1COc1ccccc1S(=O)(=O)N1CC(CO)C1 521397028 LBGPLWWGFVEUNG-UHFFFAOYSA-N 366.443 0.798 0 40 FCAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cccc2c1OCCO2 575618299 LDERETFFONGYLE-LBPRGKRZSA-N 366.381 0.904 0 40 FCAB Cn1cc(N2C[C@]3(CCN(C(=O)Cn4ccccc4=O)C3)CC2=O)cn1 1141898080 MHANLBNIABEQAV-GOSISDBHSA-N 355.398 0.237 0 40 FCAB CC(=O)N1CCC(N[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(C(C)(C)C)nn2)CC1 1549162402 UQBXJZOBVAGYJC-ZMSDIMECSA-N 365.478 0.304 0 40 FCAB c1cc2nc(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)ccn2n1 1889149154 MJGVHNGGFBZUTQ-UHFFFAOYSA-N 366.429 0.683 0 40 FCAB C[C@H](C(=O)Nc1ccc(Cl)cn1)n1cnc2c1c(=O)n(C)c(=O)n2C 5117964 GBAZYADFCVXFOB-MRVPVSSYSA-N 362.777 0.682 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 5466249 XPKDRGMHVRPZBE-ZDUSSCGKSA-N 361.423 0.575 0 40 FCAB CC(C)N(Cc1ccccc1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 6033773 GNYRFMDGJLCDEO-UHFFFAOYSA-N 369.425 0.871 0 40 FCAB COC(=O)CC[C@@H](NC(=O)c1ccc(COC(C)=O)cc1)C(=O)OC 14196406 QCWBXNXYWMVXTC-CQSZACIVSA-N 351.355 0.974 0 40 FCAB O=C(NCc1ccccn1)C(=O)NC[C@H](c1ccco1)N1CCOCC1 22769445 MAIFMZDPKWIUJV-OAHLLOKOSA-N 358.398 0.481 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccn(COc2ccc(F)cc2)n1 27972323 YWXMFYBOELVHDS-LBPRGKRZSA-N 353.375 0.976 0 40 FCAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(OC)c(NS(C)(=O)=O)c1 30026543 OSFWPVWXYZAOCN-SECBINFHSA-N 358.420 0.713 0 40 FCAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)NC[C@@H]1CCCO1 47594056 JWHRBJACLJHKFI-AWEZNQCLSA-N 353.444 0.857 0 40 FCAB C[C@H]1CN(C(=O)CN2CC(c3nc(-c4ncccn4)no3)C2)C[C@H](C)O1 49483163 JDWJRVLWFVMDDS-RYUDHWBXSA-N 358.402 0.562 0 40 FCAB CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cn2ccnc2)cc1 52749770 NKCAOEHUJLSJFY-LBPRGKRZSA-N 352.416 0.884 0 40 FCAB CCC(CC)(NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C(N)=O 58151358 VXVSXWXYEHCDGS-UHFFFAOYSA-N 353.444 0.783 0 40 FCAB CS(=O)(=O)c1cccc(S(=O)(=O)NCCNC(=O)C2CCCC2)c1 58217080 MPNUQCIACYYQTH-UHFFFAOYSA-N 374.484 0.675 0 40 FCAB C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 58281990 BRERYJMURXXADJ-QGZVFWFLSA-N 365.353 0.640 0 40 FCAB Cn1nnnc1COc1ccc(CC(=O)NCCCn2cccn2)cc1 96191965 ZGTQXQBHVBGOEF-UHFFFAOYSA-N 355.402 0.735 0 40 FCAB COC(=O)[C@]1(CCSC)N[C@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@H]21 100420448 WDARWSXAQTXDTN-PVTKRXDGSA-N 352.412 0.820 0 40 FCAB Cc1ccn(CCC(=O)N2CCN(CCc3ccccc3)[C@@H](C(N)=O)C2)n1 257296180 RBPFNBLCMQKOMY-GOSISDBHSA-N 369.469 0.822 0 40 FCAB Cc1cnn(CC(=O)N2C[C@@H](O)[C@H](Oc3ccc(CC(=O)O)cc3)C2)c1 257319720 VTUKEYFDPUMDDO-HZPDHXFCSA-N 359.382 0.469 0 40 FCAB O=C(NC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccnnc1 306136910 QGKXENNGVMSFLW-INIZCTEOSA-N 370.457 0.962 0 40 FCAB O=C(NCC1CC1)c1cn2c(nc1=O)[C@@H]1CN(C(=O)c3ccco3)C[C@@H]1C2 306143535 YEYMSPIQDDJWPJ-QWHCGFSZSA-N 368.393 0.846 0 40 FCAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1 408606863 PDFABKUXKPLXQJ-CYBMUJFWSA-N 366.443 0.765 0 40 FCAB NS(=O)(=O)c1cnn(CC(F)(F)F)c1I 408717789 ULAIPXWXIZFCJE-UHFFFAOYSA-N 355.079 0.697 0 40 FCAB O=C(NCC[C@H]1CCOC12CN(C(=O)c1cnccn1)C2)c1ccncc1 575402658 DSECRFSKFJTEFG-HNNXBMFYSA-N 367.409 0.923 0 40 FCAB CCCc1onc(C)c1C(=O)N1CC2(C1)CN(C)[C@H](C(=O)NC)CO2 575405180 QPNQFUIUQFGHQJ-LBPRGKRZSA-N 350.419 0.207 0 40 FCAB O=C(O)[C@@H]1[C@H](c2ccco2)N[C@H](c2ccco2)[C@@H](C(=O)O)S1(=O)=O 575410715 CGTSLBOEZHNBPN-USZNOCQGSA-N 355.324 0.579 0 40 FCAB Cc1ncc(CNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)c(N)n1 577757070 JUGYMHJSPLXNPJ-HZPDHXFCSA-N 355.398 0.582 0 40 FCAB Cc1c(CN2Cc3ccnn3CC[C@H]2CNS(C)(=O)=O)cnn1C 585097796 QEROXRNCHYKVGV-AWEZNQCLSA-N 352.464 0.249 0 40 FCAB C[C@]1(C(N)=O)CN(CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 585282514 FLPNREFOYBKAHL-QGZVFWFLSA-N 351.422 0.733 0 40 FCAB CCc1nn(C)c(CC)c1CC(=O)N1CCC[C@@](O)(CC(=O)NC)C1 644035753 XYXIUHYUGWNOEI-GOSISDBHSA-N 350.463 0.577 0 40 FCAB O[C@H]1CO[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1NC1CCCCC1 1549162250 SQCJCXKERXMDAT-RCCFBDPRSA-N 365.478 0.161 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(COCCN(c3cnccn3)C2)C1 1565544451 LGOLNMLUKPEZFS-WXSAJPJJSA-N 358.442 0.814 0 40 FCAB Cn1cc(N2CCC(NC(=O)c3ccncc3F)CC2)c(=O)n(C)c1=O 1889091599 NMTACSHEHREZDT-UHFFFAOYSA-N 361.377 0.017 0 40 FCAB CCN=c1nc(N2CCN(c3ncnc4c3cnn4C)CC2)cc(C)[nH]1 1889139016 NYNVGEYVOSUNKS-UHFFFAOYSA-N 353.434 0.642 0 40 FCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2ccoc2)CC1 2055745894 MZQOMTSIBUPVKK-UHFFFAOYSA-N 361.446 0.644 0 40 FCAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)c2cccnc2)CC1 2055746212 ZVGOHWKMGKMXQE-UHFFFAOYSA-N 356.430 0.990 0 40 FCAB COC(=O)c1sc(S(=O)(=O)N2CCOCC2)c(C(=O)OC)c1C 953487 JNTGYROOOQOYIE-UHFFFAOYSA-N 363.413 0.651 0 40 FCAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)NC[C@@H]1CCCO1 3437569 VTHKTBPJCYUMAW-XJKSGUPXSA-N 370.409 0.926 0 40 FCAB CCOC(=O)CNC(=O)CSc1nnnn1-c1ccccc1OC 4167364 OFYLGSVWLFXIRF-UHFFFAOYSA-N 351.388 0.442 0 40 FCAB Cc1cccc(-n2c(C)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)c1 4303885 RBZSQYKHAYEUFJ-UHFFFAOYSA-N 366.381 0.241 0 40 FCAB CCO[P@]1(=O)OC[C@@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@@H]2O1 5158650 TXRXEHHGCBJORG-VRSSCPFISA-N 357.263 0.227 0 40 FCAB in-vitro NS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccc(F)cc2)c1 6566071 HTLYKTWWXRGGPF-UHFFFAOYSA-N 351.359 0.842 0 40 FCAB CCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 8389838 IFXHGVXJGWFNSG-UHFFFAOYSA-N 357.432 0.740 0 40 FCAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)NC[C@H]2CCCO2)s1 8474646 JMLLRBHGXBFZME-SNVBAGLBSA-N 356.404 0.404 0 40 FCAB Cc1cc(CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)on1 8543481 VFYYBPZABIKBJQ-INIZCTEOSA-N 353.342 0.926 0 40 FCAB CCOC(=O)CCNC(=O)NCc1nnnn1-c1ccc(OCC)cc1 9571423 CXEZLFOSLDPZHY-UHFFFAOYSA-N 362.390 0.813 0 40 FCAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CC1 12163079 QWPFYVXWQROSPR-UHFFFAOYSA-N 352.460 0.450 0 40 FCAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 13196620 AVNPUEPTMLKZCG-VIFPVBQESA-N 367.832 0.846 0 40 FCAB Cc1cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1C1CC1 16695555 JJQZGJKIEQYXNB-LBPRGKRZSA-N 354.428 0.900 0 40 FCAB CCN1c2nc3ccccn3c(=O)c2C[C@@]2(C(=O)NC(=O)N(C)C2=O)[C@H]1C 16956771 PQGLDAGJJPGXHO-MGNBDDOMSA-N 369.381 0.160 0 40 FCAB CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 40061023 WINUVWTWLPPPEN-CQSZACIVSA-N 350.467 0.545 0 40 FCAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCO[C@H](C(N)=O)C2)cc1 50852320 DCGXTDXKVDOGDY-LBPRGKRZSA-N 361.427 0.629 0 40 FCAB CCCS(=O)(=O)NC[C@H]1O[C@H](Cc2cc(COC)on2)CC[C@@H]1O 77262707 UIMVBXIFYPWLDV-AEGPPILISA-N 362.448 0.601 0 40 FCAB biogenic,in-vitro CN1CCC(N[C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)CC1 77265394 QRNLYVHXVXDLJN-ZACQAIPSSA-N 351.422 0.368 0 40 FCAB biogenic,in-vitro O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)N[C@@H]1CCS(=O)(=O)C1 79478671 BKELTVWCRHJPKF-ZWNOBZJWSA-N 365.411 0.470 0 40 FCAB Cc1cc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)ccc1-n1cnnn1 84101544 NQVZCQLYAZLCHZ-CYBMUJFWSA-N 364.431 0.125 0 40 FCAB COCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](CO)SC)cc1 84139678 FCMHGIRPUBIBHF-SMDDNHRTSA-N 361.485 0.949 0 40 FCAB CS(=O)(=O)C[C@H](NC(=O)NCCN1CCOCC1)c1ccccc1 89484169 UZYLMLCEYBUULL-HNNXBMFYSA-N 355.460 0.404 0 40 FCAB CC[C@H](C)[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(N)=O 89942177 KSRUENRNYILXKD-TVQRCGJNSA-N 362.473 0.806 0 40 FCAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)C1CN(C(=O)C3CCCC3)C1)C2 96005492 UVSBUVDGCILONF-CQSZACIVSA-N 366.487 0.827 0 40 FCAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1Cc2cncnc2C1 96098282 ZVKUQHWRXQINEH-UHFFFAOYSA-N 374.422 0.654 0 40 FCAB CN(C)C(=O)NCc1cc(=O)n2c(n1)CN(Cc1cccnc1)CCC2 96197609 DZPUIAAXYKMKKH-UHFFFAOYSA-N 356.430 0.815 0 40 FCAB COCCN1C[C@@H]2[C@H](C1)c1nc(NCC3CC3)ncc1CS2(=O)=O 96251933 DNQAZQVRAGYANC-UONOGXRCSA-N 352.460 0.641 0 40 FCAB CN(C)C(=O)CN1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96263463 OZAXBRWTMUYXQA-UHFFFAOYSA-N 367.471 0.528 0 40 FCAB COC(=O)[C@H]1C[C@@H](OC)CN1S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 225634666 JAUIFQMHWIIKPC-BXKDBHETSA-N 370.383 0.083 0 40 FCAB Cc1cccc(C(=O)N2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)n1 248098296 NATQFAKAGLOCLL-CYBMUJFWSA-N 353.444 0.560 0 40 FCAB CN(C)Cc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)nc1 257331469 XSZSXFPNQKMLBZ-INIZCTEOSA-N 354.476 0.857 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 499083775 JGQOONBRAZFFEH-CYBMUJFWSA-N 360.457 0.130 0 40 FCAB CCc1cc(C(=O)NC[C@H]2CN(C(=O)c3cc(CC)[nH]n3)CCN2C)n[nH]1 582306882 KBFPIZPYGXCJCK-AWEZNQCLSA-N 373.461 0.444 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(C(=O)Cn2ccc3ccccc3c2=O)C1 644035752 XYWWFVFUOIWUDC-LJQANCHMSA-N 357.410 0.491 0 40 FCAB NC(=O)c1cc2c(nc1O)CCC[C@H]2NC(=O)c1cc2n(n1)CCCC2=O 1141465203 BNPOMJOTPQZYHF-GFCCVEGCSA-N 369.381 0.867 0 40 FCAB Cn1c(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCCC3)C2)cccc1=O 1565544022 AROUMQXRFSZXHK-SQWLQELKSA-N 359.426 0.485 0 40 FCAB COCC(=O)N[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1c1nccn1C 1615552151 ZWKYYMWTGCBQLD-ZIAGYGMSSA-N 362.455 0.781 0 40 FCAB C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)O 5324090 PRDQCKILOSCCSA-DCAQKATOSA-N 365.361 0.273 0 40 FCAB Cn1c(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)n2C)n(C)c1=O 6208826 MKSKPBIOIXVGGS-UHFFFAOYSA-N 368.441 0.293 0 40 FCAB COC(=O)CN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)NC1=S 8114049 RACHLFIRWHMSGT-OQFOIZHKSA-N 350.352 0.655 0 40 FCAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)NC[C@@H]2CCCO2)s1 8474517 GQBZMPLYKOELCW-NSHDSACASA-N 370.431 0.794 0 40 FCAB CC(C)(C)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 8734842 CWCYNDTYPSRAAW-UHFFFAOYSA-N 369.487 0.712 0 40 FCAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1=O 8769376 CNDUXEGYABYEGF-UHFFFAOYSA-N 367.427 0.790 0 40 FCAB CS(=O)(=O)c1ccccc1C(=O)NCc1nnnn1-c1ccccc1 9570671 AIUWFYRTRNJDGS-UHFFFAOYSA-N 357.395 0.996 0 40 FCAB CS(=O)(=O)c1ccc(NC(=O)COC(=O)c2nccnc2N)cc1 9724727 IQFGVCARCGAJMZ-UHFFFAOYSA-N 350.356 0.258 0 40 FCAB CC(C)CNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O 10031094 PWKDMBCRFSUUPU-OAHLLOKOSA-N 352.416 0.997 0 40 FCAB Cn1cc(S(=O)(=O)Nc2ccccc2Br)c(=O)n(C)c1=O 12647518 YIVRMPIZIOMABC-UHFFFAOYSA-N 374.216 0.647 0 40 FCAB Cc1ccc(C(=O)O)cc1N1C(=O)C[C@H](SC[C@@H](N)C(=O)O)C1=O 16899541 NXIDAJAGJUBSJQ-KOLCDFICSA-N 352.368 0.470 0 40 FCAB CN(C)CC(=O)N1CC[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19756893 GAVVFOBUMKHGAE-CQSZACIVSA-N 370.453 0.834 0 40 FCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cccnc2S)C[C@@H](C)O1 32914918 DGKONDOKGHOKMD-PHIMTYICSA-N 359.473 0.539 0 40 FCAB CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)cc2)cn1 71122975 DVZFVXFWVWLDJI-UHFFFAOYSA-N 365.397 0.983 0 40 FCAB NC(=O)CN1C(=O)[C@]2(CCN(c3ncnc4c3CCC4)C2)c2ccccc21 77538135 XDIYNGULFXTUPP-FQEVSTJZSA-N 363.421 0.945 0 40 FCAB O=S(=O)([C@H]1CCCN(c2ccnc(C3CC3)n2)C1)N1CCOCC1 95999615 IBDSEGZVPADURS-AWEZNQCLSA-N 352.460 0.985 0 40 FCAB CNC(=O)c1cc2c(nc1N(C)C)CCN(S(=O)(=O)CC(C)C)CC2 96100424 HGKXMTQUMZHBTK-UHFFFAOYSA-N 368.503 0.894 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1cccn1C)C2 96230539 UVEZJVYGVRHJLX-GOSISDBHSA-N 356.430 0.322 0 40 FCAB Cc1ccn(CCNC(=O)C(=O)N[C@@H]2C(=O)N(C(C)C)c3ccccc32)n1 96836876 RJFWLUGZTFRNNO-INIZCTEOSA-N 369.425 0.920 0 40 FCAB CCOC(=O)NCCCCCCN1C(=S)N[C@@H]2CS(=O)(=O)C[C@H]21 217362116 RLGNSEHPBYJSPM-VXGBXAGGSA-N 363.505 0.649 0 40 FCAB COc1ncccc1CN1Cc2ccnn2[C@@H](C(=O)N2CCOCC2)C1 247880621 PWHARMQGRJJQGL-MRXNPFEDSA-N 357.414 0.702 0 40 FCAB O=C(N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O)C1(F)CC1 306134521 NPYJZIKOHYTCKA-LLVKDONJSA-N 355.391 0.373 0 40 FCAB O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 333243402 BUQLNKGBCITWGD-CHWSQXEVSA-N 368.459 0.554 0 40 FCAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCOCC1 408626769 WTZQITLXNPTVLJ-CQSZACIVSA-N 368.455 0.925 0 40 FCAB CN(C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1COC[C@H]1O 585082305 ABPAACPWRBARIL-HZPDHXFCSA-N 368.455 0.278 0 40 FCAB CN1CCN(c2ccc(F)cc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)CC1 585084968 LWDYDSWAJSENOF-ZWKOTPCHSA-N 362.449 0.733 0 40 FCAB Cc1cc(C)n(CC(=O)N2CC[C@@](O)(COc3ccccc3)C2)c(=O)n1 585276360 NFZADYCWXHSLPX-IBGZPJMESA-N 357.410 0.903 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cn(C)c(=O)c3ccccc23)C1 644035363 NVMBHAMPFGHZPR-IBGZPJMESA-N 357.410 0.642 0 40 FCAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H]1COc2ccc(F)cc2C1 664916063 MHEWKLWAXMWPBS-YRGRVCCFSA-N 358.391 0.240 0 40 FCAB COC(=O)[C@H]1CS[C@H](c2c(COP(=O)(O)O)cnc(C)c2O)N1 1608322 OTJUDGXSYPMNAZ-LDYMZIIASA-N 364.316 0.582 0 40 FCAB Cn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccccc2)c1=O 2627589 FJPXOHWSIRWEJB-UHFFFAOYSA-N 356.426 0.846 0 40 FCAB COC(=O)c1nnn(CC(=O)NC(=O)Nc2ccccc2)c1C(=O)OC 3907015 JMRIYJLBUKQIEN-UHFFFAOYSA-N 361.314 0.200 0 40 FCAB CC1(C)O[C@@H]2[C@H](O[C@@H]3[C@H](CNCCO)O[C@H](c4ccccc4)O[C@@H]23)O1 4777511 WNXSLSQRNSYQQJ-QEOLJSOUSA-N 351.399 0.928 0 40 FCAB NC(=O)COC(=O)c1ccc(CNC2=NS(=O)(=O)c3ccccc32)cc1 7783583 DAHPNMXUQGFPES-UHFFFAOYSA-N 373.390 0.567 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)s1 8852542 SREDMLDSBGLOIV-SSDOTTSWSA-N 352.821 0.454 0 40 FCAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NC2CCCCC2)n1 9037308 GOVCTQYWZPJVKP-UHFFFAOYSA-N 358.402 0.960 0 40 FCAB O=C(O)CCC(=O)N(CCS(=O)(=O)N1CCCC1)Cc1ccccn1 9061219 OEXCWLGWGVDUMZ-UHFFFAOYSA-N 369.443 0.701 0 40 FCAB CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(OCCN2CCOCC2)cc1 19718566 ZZIXJMBXDSLBLX-QGZVFWFLSA-N 361.442 0.748 0 40 FCAB Cc1c([C@H](C)NC(=O)Cn2cccc(C(=O)NCC3CC3)c2=O)cnn1C 19750743 SDUCKVQJXOUURV-LBPRGKRZSA-N 371.441 0.907 0 40 FCAB O=C(C[C@@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(O)cc1 22996951 IYHXYUDYDHKJMN-OAHLLOKOSA-N 351.403 0.486 0 40 FCAB O=C(NCCc1ccccn1)C1CCN(c2ccc3nnnn3n2)CC1 25536801 OBGBCARTXUBQBA-UHFFFAOYSA-N 352.402 0.490 0 40 FCAB CCS(=O)(=O)N1CCC(NC(=O)NCc2cccnc2OC)CC1 26309901 OZQDFXSJASQUIP-UHFFFAOYSA-N 356.448 0.704 0 40 FCAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1cc(=O)n(C)c(=O)n1C 32611735 WMMFKAAILHKVSQ-QMMMGPOBSA-N 359.308 0.807 0 40 FCAB CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 32639833 DWPHRIANESMSHA-YPMHNXCESA-N 371.459 0.989 0 40 FCAB COc1ccnc(N2CCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n1 95401440 LOEYAGORLRNMOA-OAHLLOKOSA-N 371.445 0.536 0 40 FCAB O=S(=O)(N[C@@H]1CCCc2cn(CC(F)(F)F)nc21)N1CCOCC1 96002784 VESASRMDCBOJCS-LLVKDONJSA-N 368.381 0.989 0 40 FCAB COc1cc2c(cc1OC)CN(C(=O)Cn1nc3cnccn3c1=O)CC2 96010342 ZSDXZGMKARODPF-UHFFFAOYSA-N 369.381 0.493 0 40 FCAB CNC(=O)[C@H]1CNCCN1C(=O)c1cccc(Nc2cc(C)nc(C)n2)c1 257331386 XSQAOWNCLBBAMR-MRXNPFEDSA-N 368.441 0.997 0 40 FCAB COc1ccc(CCNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1F 265338111 XRGGHXSJTVZYOB-LBPRGKRZSA-N 359.423 0.710 0 40 FCAB Cn1cc([C@@H]2CS(=O)(=O)CCN2Cc2ncnn2C(C)(C)C)cn1 560474538 QJPJQSARCPBHEO-ZDUSSCGKSA-N 352.464 0.738 0 40 FCAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(S(=O)(=O)C(F)(F)F)C2 575403627 JFCUKSBFTUZHEX-QMMMGPOBSA-N 362.395 0.501 0 40 FCAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)Cc2ccccn2)[C@@H]2CCO[C@H]12 585109376 MFCSKUCXDZMFCO-ZHALLVOQSA-N 366.421 0.951 0 40 FCAB O=C(Nc1ccc2c(n1)OCCO2)c1ccc(C(=O)N2CCOCC2)cc1 585123931 PYPICTOCHGTLDJ-UHFFFAOYSA-N 369.377 1.578 0 40 FCAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCN(c2cnsn2)CC1 585149041 XOJPFSYQVWXCIT-UHFFFAOYSA-N 352.441 0.984 0 40 FCAB O=c1cccnn1CC1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1 585602214 UNZNQVFYEZVOBZ-UHFFFAOYSA-N 351.292 0.836 0 40 FCAB CCOC(=O)[C@]12CNC[C@@]1(C(=O)OCC)CN(C(=O)OC(C)(C)C)C2 601013345 LJNPZLVXNVYNFT-CALCHBBNSA-N 356.419 0.939 0 40 FCAB CC(=O)N1CCN(C(=O)[C@H](C)n2cc3c(n2)CC(C)(C)CNC3=O)CC1 634559519 VEBWIKDJEWTWRE-LBPRGKRZSA-N 361.446 0.447 0 40 FCAB O=C(NCc1nnnn1-c1ccccc1)[C@H]1CCCN1c1ncccn1 673833249 AHNQSCYYWAACMQ-CQSZACIVSA-N 350.386 0.738 0 40 FCAB Cc1nc2n(n1)CCN(C(=O)Nc1ccc(C[C@@H]3CC(=O)NC3=O)cc1)C2 674571471 QEJZDJRGVZRGDS-CYBMUJFWSA-N 368.397 0.839 0 40 FCAB O=C1CC[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)CN1 1888834324 DBLMYLMRFNNYOD-SNVBAGLBSA-N 357.336 0.670 0 40 FCAB Cc1noc(CC(=O)N2CCC[C@](C(=O)NCC3CC3)(n3ccnc3)C2)n1 2055772090 VWXHUKCPOHSOJZ-SFHVURJKSA-N 372.429 0.661 0 40 FCAB CC[C@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)OC(C)(C)C)C(N)=O 4186379 DQPATYLWJCKMTG-HOSYDEDBSA-N 358.439 0.032 0 40 FCAB COc1ccccc1[C@@H]1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C 4495855 HOVQMSLPOBNSHV-GFCCVEGCSA-N 355.350 0.461 0 40 FCAB O=C(NS(=O)(=O)Oc1ccc(F)cc1)O[C@@H]1CCS(=O)(=O)C1 4594484 FUVGKUXNWZQMFE-SNVBAGLBSA-N 353.349 0.363 0 40 FCAB CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](NC(C)=O)[C@H]1OC(C)=O 5125093 FJEJQSQCOOUCJJ-ZXXIGWHRSA-N 365.382 0.908 0 40 FCAB CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc(Cl)cc1Cl 5126647 UHQRLFPKGHQKEN-HPCHECBXSA-N 366.197 0.316 0 40 FCAB COC[C@H](O)CNC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O 8764486 CTYCJNSJFSXFAV-LLVKDONJSA-N 365.382 0.785 0 40 FCAB biogenic COc1ccc(C)cc1NC(=O)[C@H](C)N1CCN(S(C)(=O)=O)CC1 14197386 OJWXIZIJABCLNE-ZDUSSCGKSA-N 355.460 0.908 0 40 FCAB COc1ccc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)cc1OC 17180236 SMCXLPNHWAKQFE-UHFFFAOYSA-N 357.370 0.464 0 40 FCAB COC[C@@H](O)CN1CCN(C(=O)c2nnn(-c3ccccc3)c2C)CC1 19557765 DMBAYHCHNSJUER-INIZCTEOSA-N 359.430 0.341 0 40 FCAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 21583951 HSOJPCMINOXIPS-LJQANCHMSA-N 374.485 0.292 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)COC)cc1 70655697 HOGNDNVJDAXEFA-INIZCTEOSA-N 358.460 0.844 0 40 FCAB O=C1CN(Cc2cc3n(n2)CCNC3)CCN1Cc1ccc2c(c1)OCO2 72122454 KKEKSBPDGOAMEH-UHFFFAOYSA-N 369.425 0.559 0 40 FCAB Cn1nnn(-c2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2)c1=O 77100095 XSQDZFXFULJPPM-UHFFFAOYSA-N 366.337 0.513 0 40 FCAB O=S1(=O)CC[C@@H](N2CCN(C[C@H](O)COc3ccccc3)CC2)C1 84556792 LZSCSVANTANSIZ-CVEARBPZSA-N 354.472 0.231 0 40 FCAB CO[C@@H]1[C@@H](C)[C@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1(C)C 95986826 WHIFJJXPIAXTAG-TVYUQYBPSA-N 362.473 0.672 0 40 FCAB Cn1cc(N2C[C@@]3(COCCN(Cc4cccnc4)C3)OCC2=O)cn1 96240216 HZPDTDHNWKRZLT-SFHVURJKSA-N 357.414 0.450 0 40 FCAB COC(=O)C[C@H]1CCCCN1C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 195529427 JKRQPJJVYPCBRK-PJSWFKRJSA-N 360.410 0.738 0 40 FCAB COc1cc(N2CC3(CC[C@H](CNS(=O)(=O)C4CC4)CO3)C2)ncn1 247876765 HINZTUOFDQPJJW-GFCCVEGCSA-N 368.459 0.552 0 40 FCAB Cc1nc(C(=O)N2Cc3cncn3[C@H](CNS(C)(=O)=O)C2)cs1 248038739 NZLMZFAQRZMXNQ-LLVKDONJSA-N 355.445 0.394 0 40 FCAB O=C(NC1CC(F)(F)C1)[C@@H]1CN(c2ccc3nncn3n2)Cc2ccnn21 306129793 INBPRSHYKIWAST-LBPRGKRZSA-N 374.355 0.796 0 40 FCAB O=C(O)c1sccc1S(=O)(=O)N1CCN(c2cccnn2)CC1 564080710 AIDRFOYMNQHICJ-UHFFFAOYSA-N 354.413 0.747 0 40 FCAB CNC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(F)c2)Cc2ccnn21 585111465 AZTDRYGJTHNUIB-ZDUSSCGKSA-N 352.391 0.904 0 40 FCAB O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCCc2ccccn2)C1 585284353 KDKVEHKNLDITTK-AZUAARDMSA-N 355.438 0.852 0 40 FCAB COCCN1CC2(CCN(C(=O)Cc3ccn(C)n3)CC2)C[C@H]1COC 1614946887 FHKWXUPPSRLCOO-KRWDZBQOSA-N 364.490 0.939 0 40 FCAB COCC(=O)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 1772595252 GGWSWAQGWBMHJY-QGZVFWFLSA-N 373.453 0.695 0 40 FCAB O=C(NCC1(N2CCOCC2)CCC1)C(=O)Nc1ccc2c(c1)OCO2 1775973427 BKPFHBYPJBFTNO-UHFFFAOYSA-N 361.398 0.725 0 40 FCAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)c2ccncc2)CC1 2055746068 HHEGVEYHXUGZFA-UHFFFAOYSA-N 356.430 0.990 0 40 FCAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)NC(N)=O)n2)n1 2653458 GPRHDMTXTJSYJI-UHFFFAOYSA-N 351.750 0.889 0 40 FCAB Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1OCc1ccccc1 4983315 GUCMSLDJFPHTIR-MJFSBKNWSA-N 357.370 0.245 0 40 FCAB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)no1 5232491 BFLGTHUPNJYAJV-SDDRHHMPSA-N 361.354 0.804 0 40 FCAB CN(C)CCn1c(=O)n(CCO)c(=O)c2c3c(sc21)COC(C)(C)C3 6669719 QVHHTAOAKNEPGQ-UHFFFAOYSA-N 367.471 0.630 0 40 FCAB COc1ccccc1/C=C/C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 6835842 QADNEWDAVXVPTG-KTRBRXNASA-N 353.396 0.555 0 40 FCAB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 8477413 WBFGHHKLNAWARL-NTEUORMPSA-N 357.366 0.955 0 40 FCAB CNC(=O)CNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 8750423 BPOYYYLVKLTKJL-UHFFFAOYSA-N 356.407 0.987 0 40 FCAB CCn1nnnc1SCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 9515500 GBEFYUZKVMHHKR-UHFFFAOYSA-N 356.433 0.380 0 40 FCAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N[C@H]1CCS(=O)(=O)C1 9995231 LTKBHNLXODJYBF-MNOVXSKESA-N 358.489 0.788 0 40 FCAB CN(C)CCCNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342457 MGDNJWYJPIOYFX-UHFFFAOYSA-N 358.442 0.918 0 40 FCAB O=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)C1CC1 12422791 YTXXJJBSTXSFLG-UHFFFAOYSA-N 351.472 0.660 0 40 FCAB CCn1c(SCC(=O)NCCOC)nnc1-c1cn(C)nc1OC 12872295 HLYGDWVQUURHQL-UHFFFAOYSA-N 354.436 0.562 0 40 FCAB COc1ccc(NC(=O)CN2CCCN(S(C)(=O)=O)CC2)c(OC)c1 12939199 RYEWKEVAYWRYOK-UHFFFAOYSA-N 371.459 0.610 0 40 FCAB COc1ccc(N2CCn3c2nc2c3c(=O)n(CC(C)=O)c(=O)n2C)cc1 13539649 UJBWJHMVJJNUHP-UHFFFAOYSA-N 369.381 0.646 0 40 FCAB COC(=O)CNC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl 15858358 RSVSRQSXDDKCGU-MRVPVSSYSA-N 374.802 0.555 0 40 FCAB CC/C(NN1CCOCC1)=C1/C(=O)N=C(O)N(Cc2ccccc2)C1=O 17246889 LGLRJDKIDUXXHB-CCEZHUSRSA-N 358.398 0.970 0 40 FCAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCOCC3)c2)C1=O 19797471 IXGYYUHEOWDRGD-UHFFFAOYSA-N 352.412 0.862 0 40 FCAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccon2)N2CCOCC2)cc1 23107417 IVXWIVKGOFHRCT-HNNXBMFYSA-N 374.397 0.811 0 40 FCAB Nc1nccnc1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 24149280 YFTAUPANSJZTHG-UHFFFAOYSA-N 371.426 0.086 0 40 FCAB C[C@@]1(NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)CCS(=O)(=O)C1 24448270 ZEEXKKAWHPNVIU-IUODEOHRSA-N 357.407 0.619 0 40 FCAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2nc3nccc(C)n3n2)cc1 28003931 CARUTURLFIYVOD-UHFFFAOYSA-N 374.426 0.449 0 40 FCAB O=C(CCNC(=O)c1ccoc1)NCc1cccnc1N1CCOCC1 30634340 QMAPDKVCBPTIRO-UHFFFAOYSA-N 358.398 0.948 0 40 FCAB CCN1CCC(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)CC1 35334245 ZVLMFIJXFIRDQL-UHFFFAOYSA-N 357.458 0.955 0 40 FCAB CS(=O)(=O)c1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 40062170 MSSSFLSHDJTFLE-UHFFFAOYSA-N 360.457 0.244 0 40 FCAB CC(C)[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 61992893 SOODLZHDDSGRKL-LQZABQIISA-N 353.415 0.244 0 40 FCAB Cc1cc(CN2C(C(N)=O)=NC3=NS(=O)(=O)c4ccccc4N32)on1 69740138 UFMBYSVPPTUJNE-UHFFFAOYSA-N 360.355 0.162 0 40 FCAB COC(=O)c1ccc(NC(=O)CNC(=O)C(=O)NCc2ccccc2)cc1 69929429 FVBMSTTWAGSPLQ-UHFFFAOYSA-N 369.377 0.844 0 40 FCAB CCC[C@H](NC(N)=O)C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 72273620 QFBSPKKXJNNXRY-AWEZNQCLSA-N 370.475 0.827 0 40 FCAB CCOCC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 96002393 RHSIMLDLBJLIAE-OAHLLOKOSA-N 363.462 0.405 0 40 FCAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3cccnc3)CC2)O1 96062626 QUXWISAODLYZQG-CQSZACIVSA-N 355.398 0.554 0 40 FCAB O=C(NCCn1cccc1)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96124011 WKUDRBNPQQWARF-HNNXBMFYSA-N 366.429 0.892 0 40 FCAB Cn1cccc1C(=O)N1CCC2(CCOC[C@H]2NS(C)(=O)=O)CC1 96215162 NLLFJBWAQITFJL-CQSZACIVSA-N 355.460 0.586 0 40 FCAB CCC(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CCOCC1)Cn1ccnc12 96243721 RXYXUCFRHXPNCL-CQSZACIVSA-N 362.430 0.368 0 40 FCAB O=C1CCC(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)=NN1 96544296 PINDIZLMBKDBMT-XYOKQWHBSA-N 373.394 0.500 0 40 FCAB O=C(c1ccc(Cl)cc1)N(CCO)CCN[C@@H]1CCS(=O)(=O)C1 217372747 QRNYTAJUYNAMLH-CQSZACIVSA-N 360.863 0.551 0 40 FCAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCN(C)C)s2)cc1 225195633 PRNBSKDGYRFYOH-UHFFFAOYSA-N 369.472 0.939 0 40 FCAB Nc1ncnc2c1ncn2[C@@H]1[C@@H](O)C[C@@H](CNCc2ccccc2)[C@H]1O 257219142 DFTUUGWIGFBEHT-WMHQRMGPSA-N 354.414 0.481 0 40 FCAB COCCN1CC[C@]2(CN(C(=O)c3ccnn3C)CC(F)(F)C2)C1=O 585093131 DLQGFOWTQJZPCX-HNNXBMFYSA-N 356.373 0.766 0 40 FCAB Cn1ccc(CC(=O)N2C[C@H]3CCN(Cc4cccnc4)C(=O)[C@H]3C2)n1 585107827 GHOXXIFGYMWIPF-WBVHZDCISA-N 353.426 0.865 0 40 FCAB COc1cnc(C(=O)N2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@H]3C2)nc1 1565554061 QMMDBMKJKGWXQR-RISCZKNCSA-N 373.438 0.981 0 40 FCAB O=C(c1ccc(O)nn1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615124121 CYXYPKFHAJNFNX-GOSISDBHSA-N 354.366 0.830 0 40 FCAB Cc1cc(N2CCO[C@H]3CN(C(=O)CCN4CCOCC4)C[C@@H]32)ccn1 2056224964 KROLXWYXXQMOIC-ROUUACIJSA-N 360.458 0.528 0 40 FCAB COC(=O)Cn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 1430317 VFCLIVXQIASAHS-UHFFFAOYSA-N 367.365 0.526 0 40 FCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC(=O)Nc1ccc(F)cc1 3505754 AHIRBSAGOVKSHU-UHFFFAOYSA-N 362.361 0.745 0 40 FCAB CC1(C)S[C@H]2[C@@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)O 5260860 BPLBGHOLXOTWMN-SCRDCRAPSA-N 350.396 0.697 0 40 FCAB COCCNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6756545 WNRQNKJQSAQGKB-UHFFFAOYSA-N 355.416 0.399 0 40 FCAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)n1cnc2c1c(=O)n(C)c(=O)n2C 6972433 OQVZIRKBBLIPPC-NSHDSACASA-N 373.388 0.792 0 40 FCAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)CCO1 10611731 XOWUZIOXGALRSJ-WBMJQRKESA-N 370.409 0.878 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1c(C)c(C)cc(C)c1C 12622781 FYFNNOHYSUKNIN-AWEZNQCLSA-N 368.455 0.972 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(=O)O)cc2)C1 20454631 VRKQATPATCXXAX-LBPRGKRZSA-N 355.416 0.842 0 40 FCAB CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 21894652 ZWMZHGUYIIJYSI-MRXNPFEDSA-N 352.391 0.008 0 40 FCAB O=C(NCCCN1CCOCC1)c1nnn2c1nc(O)c1ccccc12 33435953 OTOOOXCAXDMEPG-UHFFFAOYSA-N 356.386 0.435 0 40 FCAB Cc1cc(=O)c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)nn1-c1ccccc1 39996381 OEQWFIWBSVRYIE-KRWDZBQOSA-N 361.423 0.848 0 40 FCAB COc1ccccc1N1C[C@@H](C(=O)N[C@@H](C)CN2CCOCC2)CC1=O 46885904 MYDRSSSWCCOBBN-GJZGRUSLSA-N 361.442 0.885 0 40 FCAB O=C(NCc1cccnc1-n1cncn1)c1cnc2sccn2c1=O 47122236 PFEMIQKDGACKHU-UHFFFAOYSA-N 353.367 0.662 0 40 FCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccc(C(N)=O)cc3)ccc21 51134492 UTBBHXQSJOSMOM-UHFFFAOYSA-N 374.422 0.454 0 40 FCAB O=C(C[C@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc(F)cc1 71283607 GNUHWVRPHIMJFK-CYBMUJFWSA-N 353.394 0.465 0 40 FCAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 97020798 HTDZIYPCXVNJRP-YPMHNXCESA-N 366.447 0.812 0 40 FCAB O=C([C@H]1COC2(CN(Cc3cccnc3)C2)CN1CC1CC1)N1CCCO1 247844275 GMDKZZKWNICJQC-GOSISDBHSA-N 372.469 0.911 0 40 FCAB COc1cc(C)ccc1S(=O)(=O)N1Cc2ncn(C)c2C[C@H]1CO 585094680 HCXRJRUIEYZUKM-LBPRGKRZSA-N 351.428 0.845 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)Cc3coc4ccccc34)C2)C1 685942637 QCYUAJRWXLKNQC-GFCCVEGCSA-N 355.394 0.781 0 40 FCAB Cn1cc([C@]2(C)CN(C(=O)c3cnc(C4CCNCC4)[nH]3)CCO2)cn1 685943052 VCCHRFKHNBFCBQ-SFHVURJKSA-N 358.446 0.998 0 40 FCAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C)CC2)C12CNC2 1549174388 CIBCRALMQZKHRH-KRWDZBQOSA-N 356.470 0.750 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 1565542910 FMHZESFRPSHALD-CTASWTNQSA-N 360.414 0.106 0 40 FCAB O=C(NCCc1ccncc1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@H]2CCOC2)O1 1565556646 YKZSSFDFNXIXHD-BSDSXHPESA-N 373.453 0.925 0 40 FCAB Cc1cc(N2CCN(c3ncnc4c3cnn4C)CC2)nc(N(C)C)n1 1889136346 YBJWNHJJXCKQQW-UHFFFAOYSA-N 353.434 0.854 0 40 FCAB CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C 2405869 FDUVXRJKCCWTCT-CYBMUJFWSA-N 362.308 0.100 0 40 FCAB CCn1cc(Cl)c(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@@H]23)n1 2758599 TUZZVMZSOPUQRP-RNCFNFMXSA-N 370.818 0.929 0 40 FCAB CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 4505024 IRULEMWYIPJVEI-GFCCVEGCSA-N 360.457 0.196 0 40 FCAB CCOc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCC(N)=O 6960623 BHTWFCHMZJXOLL-ZROIWOOFSA-N 359.382 0.715 0 40 FCAB O=C(NCc1ccccc1F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 7754313 NAVNTDWCYCIVEG-LBPRGKRZSA-N 367.402 0.607 0 40 FCAB Cn1c(N)c(C(=O)CSc2nnc(-c3ccco3)o2)c(=O)n(C)c1=O 9597092 IRJGZXYIAUXMKA-UHFFFAOYSA-N 363.355 0.284 0 40 FCAB CCOC(=O)NC(=O)COC(=O)CCCN1C(=O)c2ccccc2C1=O 10215178 VDDNRDGYYJNRKU-UHFFFAOYSA-N 362.338 0.879 0 40 FCAB CS(=O)(=O)NC1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 10662357 JGQLVLQJQIYGEA-LBPRGKRZSA-N 357.476 0.318 0 40 FCAB Cc1cc(NC(=O)CN2CCC[C@@H](NC(=O)c3cnccn3)CC2)no1 19749188 NPDLMYFZTCPCNQ-CYBMUJFWSA-N 358.402 0.996 0 40 FCAB Cn1c(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)cc(=O)n(C)c1=O 22357529 DZJYSRQBNZPBNV-UHFFFAOYSA-N 370.453 0.337 0 40 FCAB CCCCn1c(SCC(=O)N(CC)CC(=O)NC(C)C)n[nH]c1=O 22615701 XJACGHUBPJHGFN-UHFFFAOYSA-N 357.480 0.837 0 40 FCAB Cc1ccsc1C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 22698042 MMZJOJRYLSEHCP-GFCCVEGCSA-N 356.469 0.776 0 40 FCAB COc1cc2nc(CN3CCC[C@H]3C(=O)N(C)C)[nH]c(=O)c2cc1OC 27566459 JFVXVDHDAMRVPQ-ZDUSSCGKSA-N 360.414 0.993 0 40 FCAB CCn1cc(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)ccc1=O 40146901 XFKKKNYQTKWQMK-UHFFFAOYSA-N 360.395 0.545 0 40 FCAB COc1ccc(OCCn2c(S(=O)(=O)O)nc3c(N)ncnc32)cc1 44787221 QCVUKHIIJWWWSM-UHFFFAOYSA-N 365.371 0.743 0 40 FCAB CCOc1ccccc1C(=O)N1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 46500181 WQPFYVDBKCQEDR-UHFFFAOYSA-N 372.425 0.978 0 40 FCAB O=C(NCc1cccc(F)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 71283125 FQWHXZYVLBAGBM-ZDUSSCGKSA-N 367.402 0.607 0 40 FCAB Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cn(C)c(=O)n(C)c3=O)C2)n1 91686432 WRFFMRDPCGHWKF-AWEZNQCLSA-N 371.441 0.638 0 40 FCAB OC[C@@H]1O[C@@H](n2cnc3c(/C=C(\O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O 100135126 MHMCIRXDRBTNOZ-JJQPMYFPSA-N 370.365 0.494 0 40 FCAB in-vitro CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 105352587 PJRFPGAZODKYNO-DBRNXYINSA-N 357.410 0.586 0 40 FCAB O=C(NC[C@@H]1C[C@@H]2C=C[C@@H]1C2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 169680652 LCARHFBRMFETSR-YIYPIFLZSA-N 365.455 0.480 0 40 FCAB Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)nn1 225430023 YBZSEJFCEUCCGW-GOEBONIOSA-N 374.441 0.792 0 40 FCAB COc1ccc(CCNC(=O)CN(C)S(=O)(=O)N(C)C)cc1OC 225961895 JINMRTFSUWQOLI-UHFFFAOYSA-N 359.448 0.101 0 40 FCAB Cc1nc(Cc2ccc(N(C)S(C)(=O)=O)cc2)[nH]c(=O)c1CC(=O)O 226106133 OHMVLGDUFHJRBH-UHFFFAOYSA-N 365.411 0.692 0 40 FCAB CCn1cc(CN2CC3(CC[C@H](CNS(=O)(=O)C4CC4)CO3)C2)cn1 249687148 HFNXRDGNHCNEHY-CQSZACIVSA-N 368.503 0.966 0 40 FCAB O=C(CCOc1ccccc1F)N1CC[C@@](O)(CN2CCOCC2)C1 257270419 MUDBCGHDBAGEDR-GOSISDBHSA-N 352.406 0.890 0 40 FCAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cncc(CNC(C)=O)n1 257324334 WOETUOCAGQUJEJ-HNNXBMFYSA-N 355.464 0.836 0 40 FCAB Cc1cccc(C(=O)N[C@@H]2CCOC[C@@]23CC(C(=O)NC(C)C)=NO3)n1 306128363 GYNJELLXXYRORJ-QAPCUYQASA-N 360.414 0.948 0 40 FCAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCCN1CCOCC1 515932417 NRWSCGPHDANKQY-CYBMUJFWSA-N 370.475 0.369 0 40 FCAB O=C(Nc1ncnc2[nH]cnc12)C1CN(c2cc(-n3ccnc3)ncn2)C1 575610872 ZIYPJOOETKWFBL-UHFFFAOYSA-N 362.357 0.404 0 40 FCAB COCc1n[nH]c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)n1 617938404 XLMWLASEQBTQOG-CYBMUJFWSA-N 373.413 0.625 0 40 FCAB O=S(=O)(CCc1ccccc1F)NCCN1CCCS1(=O)=O 656888280 CSAXIMSSWPRIFM-UHFFFAOYSA-N 350.437 0.323 0 40 FCAB O=C([C@H]1CN(c2ncccc2Br)CCO1)N1CCOCC1 2086847979 KWVWIGUEMYJHIP-GFCCVEGCSA-N 356.220 0.908 0 40 FCAB CCC(=O)NC(=S)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 1255934 GCOBKGXPWACYFJ-UHFFFAOYSA-N 370.500 0.991 0 40 FCAB Cn1c(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2n(C)c1=O 4969863 BDVQHBFRYZGWND-UHFFFAOYSA-N 359.407 0.716 0 40 FCAB O=C1Cc2cc(S(=O)(=O)Nc3cccc(-n4cnnn4)c3)ccc2N1 5487498 MXPFAKDWNFZLBA-UHFFFAOYSA-N 356.367 0.958 0 40 FCAB Cn1cccc1C(=O)NC(=O)CSc1nnnn1C[C@@H]1CCCO1 9640260 GJPREZRYIFTATE-JTQLQIEISA-N 350.404 0.239 0 40 FCAB CS[C@]1(CO)C(=O)N2[C@@H]3C(=CC=C[C@H]3O)C[C@@]2(SC)C(=O)N1C 13377822 OVBAGMZLGLXSBN-YIKOMLBNSA-N 356.469 0.027 0 40 FCAB biogenic COCCNC(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21 19593487 VBVUWWGHAJYQEH-UHFFFAOYSA-N 368.397 0.637 0 40 FCAB O=C(NCCc1cccs1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23483572 YTUPXORKFIQXCQ-LLVKDONJSA-N 369.468 0.572 0 40 FCAB COc1cc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)ccn1 24924812 BLBLXLLXFBAQLK-UHFFFAOYSA-N 351.384 0.676 0 40 FCAB CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 32639836 DWPHRIANESMSHA-WCQYABFASA-N 371.459 0.989 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(Cc3nonc3C)CC2)cc1 35671028 XSFWVXMNPQKMCI-UHFFFAOYSA-N 352.416 0.893 0 40 FCAB C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 41739024 SHVRZOJWHSWOPZ-LBPRGKRZSA-N 356.386 0.556 0 40 FCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1cccc(C)c1 54112906 SKRXTHMILLGYIN-CVEARBPZSA-N 358.442 0.949 0 40 FCAB CSc1ncc(Cl)c(C(=O)NCCN2CCS(=O)(=O)CC2)n1 58063309 ITNCPTGRRMATBE-UHFFFAOYSA-N 364.880 0.312 0 40 FCAB CCN(C1CCN(C(=O)N[C@H](C)CN2CCCC2=O)CC1)S(C)(=O)=O 66977319 RXBACWYUBHJIHT-CYBMUJFWSA-N 374.507 0.453 0 40 FCAB COCCNC(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70933690 XUYYDTCQHDMLSH-UHFFFAOYSA-N 356.448 0.428 0 40 FCAB COC[C@@H](O)CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 95451819 KNCUPCDJPNJTBM-LBPRGKRZSA-N 360.432 0.500 0 40 FCAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccccn3)CC2)O1 96263056 UDAZTXRSRWQGOW-AWEZNQCLSA-N 355.398 0.554 0 40 FCAB Cc1cc(C(=O)O)ccc1S(=O)(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 505859360 UYAJKFXGDFXDIF-JTQLQIEISA-N 361.441 0.937 0 40 FCAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCCN2CCCC2)C1 585292139 WYYHTFZOVFZNOY-QUCCMNQESA-N 361.486 0.239 0 40 FCAB Cc1nc(CN2C[C@@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@H]3C2)no1 1888930492 ZGFKFEZKMXBQSE-CHWSQXEVSA-N 373.438 0.891 0 40 FCAB COc1ccc(S(=O)(=O)N2CC(Cn3ccnc3)C2)cc1C(N)=O 1889201566 LPAJCUPSONXUQW-UHFFFAOYSA-N 350.400 0.311 0 40 FCAB COc1ccc(N2C[C@@H](NC(=O)NCCOCCO)CC2=O)cc1OC 4479789 ZGZXQTXRTCCUII-LBPRGKRZSA-N 367.402 0.117 0 40 FCAB COCCNCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 4897778 WLEPKBUDTQLMKJ-UHFFFAOYSA-N 355.460 0.064 0 40 FCAB CC(C)c1ccc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1 10283421 AGROVSPZFDHKRJ-UHFFFAOYSA-N 367.471 0.877 0 40 FCAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1cn2ccccc2n1 10355990 KQBSLYYFBSZTRI-UHFFFAOYSA-N 374.422 0.963 0 40 FCAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(S(C)(=O)=O)CC1 12187287 IKTQIZYYRDZJHB-UHFFFAOYSA-N 365.455 0.745 0 40 FCAB Cc1csc2nc(COC(=O)CCCN3C(=O)CNC3=O)cc(=O)n12 14086247 DBJXKZBVBHMIIY-UHFFFAOYSA-N 364.383 0.440 0 40 FCAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1 21578528 FIGGBYOYOXUIKX-UHFFFAOYSA-N 374.485 0.718 0 40 FCAB Cn1c(=O)c2nc(SCC(=O)O)n(CCc3ccccc3)c2n(C)c1=O 33274167 IEHMQWPRXYGMDS-UHFFFAOYSA-N 374.422 0.853 0 40 FCAB CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 36048070 WVMGQDJHWMAOTN-UHFFFAOYSA-N 373.500 0.454 0 40 FCAB COCCOC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C)c(C)c1 36712451 SOSALADDDGFMDO-HIFRSBDPSA-N 357.428 0.617 0 40 FCAB COc1ncccc1NC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 40121639 MCFCIZBLFHXUOM-RYUDHWBXSA-N 372.447 0.651 0 40 FCAB COCc1ccccc1NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 48253276 CRGKOSJFDKNZEQ-UONOGXRCSA-N 366.439 0.807 0 40 FCAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCC(=O)NC1CCCCC1 57557558 WVGSJASMNSHLNJ-UHFFFAOYSA-N 361.398 0.710 0 40 FCAB CN1C[C@H](C(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)CC1=O 72347120 GISZCCRTBQJTRC-GFCCVEGCSA-N 357.414 0.058 0 40 FCAB CC(C)N1C(=O)C[C@H](NC(=O)COc2ccc3ccc(=O)oc3c2)C1=O 75093384 QYOFAAAGEGQYDV-ZDUSSCGKSA-N 358.350 0.824 0 40 FCAB CCOc1ccc(OCCNC(=O)CN2CC[C@H](NC(N)=O)C2)cc1 95447668 VDPUCBAZCDALRB-ZDUSSCGKSA-N 350.419 0.323 0 40 FCAB COc1ccc(CN2C[C@@H]3C[C@@H](C(=O)N4CCN(C)CC4)N(C)[C@@H]3C2)cc1 96054222 NHHJMZUOPCCOEU-YSIASYRMSA-N 372.513 0.974 0 40 FCAB Cc1nnc([C@H]2C[C@H]3OCC[C@H]3N(S(=O)(=O)c3cn(C)cn3)C2)o1 96065660 IFXHXGDWKBDBMN-QJPTWQEYSA-N 353.404 0.447 0 40 FCAB Cc1cc(NC(=O)C(=O)NCC2CCN(c3ncc(F)cn3)CC2)no1 252501346 UERFEQGUKVNVBS-UHFFFAOYSA-N 362.365 0.883 0 40 FCAB CCc1nccn1CC(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257214991 COFAFSNSXDYEAX-LLVKDONJSA-N 351.432 0.588 0 40 FCAB Cc1cc(-c2cncc(C[C@@H]3CCN(S(=O)(=O)N(C)C)C3)n2)[nH]n1 257233796 GQTMBJSADXSPHT-LBPRGKRZSA-N 350.448 0.846 0 40 FCAB CN[C@H]1CC2(CCN(C(=O)Cc3c(C)noc3C)CC2)OC[C@]1(C)O 257297913 RJIAJICUNYGECA-RDJZCZTQSA-N 351.447 0.954 0 40 FCAB Cn1cnc(S(=O)(=O)N2Cc3cncn3[C@@H](COCC3CC3)C2)c1 306124677 BWHVVNAUSMITEQ-CQSZACIVSA-N 351.432 0.789 0 40 FCAB CNC(=O)C1CCN(C(=O)CN2CCC[C@@](CO)(c3ccccc3)C2)CC1 585080183 CXRSOCZYQXVLNA-OAQYLSRUSA-N 373.497 0.997 0 40 FCAB C[C@@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1C(=O)c1cnccn1 585097476 KJMCQEBCLREKOT-CYBMUJFWSA-N 370.413 0.291 0 40 FCAB C[C@H]1CCCN(Cc2cc(=O)n3[nH]c(=N)[nH]c3n2)[C@@H]1C(=O)OC(C)(C)C 598623642 ZSBYSUXQJQUICP-GWCFXTLKSA-N 362.434 0.772 0 40 FCAB CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3Cc4ccccc4C3)[C@@H](O)[C@H]2O1 604381733 MAFJTZXTPXJDPE-VXXGZENSSA-N 374.481 0.946 0 40 FCAB biogenic,in-vitro CCc1ccc(C(=O)N2CCn3c(nc(Cn4cncn4)cc3=O)C2)cn1 1565555579 DIJWDLHRXLXZEY-UHFFFAOYSA-N 365.397 0.497 0 40 FCAB CN(C)c1ccnc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)n1 1889139381 QVBLBBYBXVRMMU-UHFFFAOYSA-N 351.418 0.845 0 40 FCAB CCCNC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)c1csnn1)OC2 2055756550 VXLUINYFSJHAGE-QMMMGPOBSA-N 350.404 0.272 0 40 FCAB COC(=O)c1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)ccc1Cl 4183351 MYMVUHVMVHOLJG-KOFHJDLBSA-N 363.753 0.932 0 40 FCAB CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(C)c(C)c1 4945674 LRNWHIIZZSFIEP-GFCCVEGCSA-N 373.413 0.522 0 40 FCAB CC1=NN(CC(=O)c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 5147963 GPKNNXNCTPTKEJ-UHFFFAOYSA-N 366.381 0.513 0 40 FCAB Cc1ccc(NC[C@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 5387277 LGMZOBYWFSOOMS-AWEZNQCLSA-N 357.414 0.524 0 40 FCAB NC(=O)COC(=O)c1ccc(Oc2ccc(C(=O)OCC(N)=O)cc2)cc1 7141082 QIMKODLAHKLPAG-UHFFFAOYSA-N 372.333 0.763 0 40 FCAB Cc1cc(C)nc(Nn2ccc3nc(N4CCN(C)CC4)ncc3c2=O)n1 9290432 HDIAFOQQWJHXHU-UHFFFAOYSA-N 366.429 0.825 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 23458656 VQDWUICPTTXUDG-UHFFFAOYSA-N 366.418 0.384 0 40 FCAB CN(CCOc1ccc(Br)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 23640709 SVIAXTCIIULYHV-OLZOCXBDSA-N 364.261 0.918 0 40 FCAB COC(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 40310039 VAASNAJHVWITHZ-UHFFFAOYSA-N 358.354 0.269 0 40 FCAB biogenic CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)Cn2nc(C)cc2C)n(C)c1 48275397 JLLNXHBRYLMBAP-LLVKDONJSA-N 367.475 0.813 0 40 FCAB O=C(O)c1cn(Cc2ccccc2)nc1S(=O)(=O)N1CCOCC1 49411650 PNEWUBIWBCZJJQ-UHFFFAOYSA-N 351.384 0.651 0 40 FCAB COCCn1cc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cn1 58343852 HAYKSFCEDMVCQC-HNNXBMFYSA-N 366.466 0.594 0 40 FCAB CN1CCN(C(=O)c2ccc(NC(=O)c3nccnc3C(=O)O)cc2)CC1 71287637 KBVGFKJBGVOWNR-UHFFFAOYSA-N 369.381 0.815 0 40 FCAB C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1nccs1 72405608 VUWDRZHUBFUOIM-NSHDSACASA-N 361.431 0.792 0 40 FCAB Cn1ccnc1SCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1 90608208 LCHQZZVJAWTZEY-UHFFFAOYSA-N 350.444 0.900 0 40 FCAB O=C(Nc1ccnn1Cc1cccs1)C(=O)N1CCN(CCO)CC1 95461132 YHOABELWINGRAW-UHFFFAOYSA-N 363.443 0.068 0 40 FCAB O=C(c1cc(Cl)c[nH]1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998859 PIYCHRJHVYROOF-LBPRGKRZSA-N 361.851 0.935 0 40 FCAB CC(=O)N[C@@H]1CCC[C@@H](C(=O)NCc2cc(C)on2)CC(=O)N(C)C1 96113321 QTFBVKOGJMZSRA-ZIAGYGMSSA-N 350.419 0.753 0 40 FCAB biogenic,in-vitro COCCNC(=O)[C@@H]1CCC[C@@H](NCc2nccn2C)CN(C)C(=O)C1 96113445 OXEZCKWFHJWHEV-HUUCEWRRSA-N 365.478 0.290 0 40 FCAB biogenic,in-vitro COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1C(=O)CCC1=O 225298060 BIKVMLYBZFXWNC-NSHDSACASA-N 368.411 0.806 0 40 FCAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)CC2CC2)C3)n1 306139776 UAHYTJRHFGZFAN-CQSZACIVSA-N 365.455 0.980 0 40 FCAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)[C@]1(C)CCS(=O)(=O)C1 575426781 ZTGWKCRVEKVCCT-CQSZACIVSA-N 361.441 0.891 0 40 FCAB CCN1C(=O)CC[C@H](C(=O)N2CC(=O)N(C3CC3)C2)[C@H]1c1nccn1C 614217968 ZSEXCTWSGZJBLH-BBRMVZONSA-N 359.430 0.510 0 40 FCAB Cc1c(Cl)cccc1NC(=O)CCNC(=O)CN1C(=O)CNC1=O 1115945694 WIHRQXGYSRHCNY-UHFFFAOYSA-N 352.778 0.645 0 40 FCAB Cn1ncc(C(=O)N[C@@H]2CCCN(CC(N)=O)C2)c1Cc1ccccc1 1116800780 ZFLNSFRZJKAFCB-OAHLLOKOSA-N 355.442 0.690 0 40 FCAB COc1cc(C(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)on1 1565554924 KXBXLLHVYINSJS-UHFFFAOYSA-N 358.362 0.269 0 40 FCAB COCCNC(=O)[C@]12C[C@@H]1CCN2S(=O)(=O)c1ccc2c(c1)CCO2 2056224930 HHSGOSWTFCEIDB-GUYCJALGSA-N 366.439 0.537 0 40 FCAB O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)N1CCCC1=O 3279248 OCAHZWRQBDBPGF-UHFFFAOYSA-N 373.159 0.464 0 40 FCAB CCc1cccc(C)c1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 6082856 ZSXVYXRUWBKXCX-UHFFFAOYSA-N 355.398 0.943 0 40 FCAB CC[C@@H](C(=O)N1CCN(C=O)CC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713955 UJIZAUPKWPFLLQ-INIZCTEOSA-N 367.471 0.840 0 40 FCAB Cn1c(=O)c2c(ncn2CCC(=O)N[C@@H]2CCc3ccccc32)n(C)c1=O 14373930 OMEVUWUQGDXXLM-CQSZACIVSA-N 367.409 0.628 0 40 FCAB CC[C@H](C)S(=O)(=O)NCCn1nc([C@H]2CCNC2)c2nccnc21 19500038 VOCBJBGZEHPBDI-RYUDHWBXSA-N 352.464 0.621 0 40 FCAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2)c(=O)n(C)c1=O 21759913 WPJDGYRVRHFYPX-GFCCVEGCSA-N 350.400 0.005 0 40 FCAB CN(CC(=O)N1CCCN(S(C)(=O)=O)CC1)C(=O)c1ccccc1 24782398 UJAKLYNAIHPXEB-UHFFFAOYSA-N 353.444 0.253 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)NCCc2ccccc2OC)n(C)c1 27103630 QMIORMUPXQNFDR-UHFFFAOYSA-N 351.428 0.914 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)NCCC(=O)Nc2ccccn2)n(C)c1 52969000 JYGSQMNFLVSWIX-UHFFFAOYSA-N 365.415 0.087 0 40 FCAB Cc1ccc(CC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cn1 81212842 NUSQJVVAKLUOEW-UHFFFAOYSA-N 364.427 0.595 0 40 FCAB COc1ccc(N2CCN(C(=O)CCN(C)[C@H]3CCN(C)C3)CC2=O)cc1 82137037 LCGNLOHGNIDXRS-KRWDZBQOSA-N 374.485 0.896 0 40 FCAB COC(=O)[C@]1(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCSC1 95444100 LOGGUARANJYDDO-INIZCTEOSA-N 369.443 0.406 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)C2CCOCC2)C[C@]2(CC(=O)N(C)C2)C1 96036086 CADBZWKRPGMKPP-IBGZPJMESA-N 365.474 0.588 0 40 FCAB COCCN1CC2(CCN(Cc3cnn(C)c3)CC2)[C@@H](COC)C1=O 96206437 XITGPASFPAWRBX-INIZCTEOSA-N 350.463 0.754 0 40 FCAB Cc1cnc(C(=O)N2CC[C@@]3(COCc4cnc(N(C)C)nc43)C2)cn1 96243993 RPGVDKCAXAHULK-SFHVURJKSA-N 354.414 0.955 0 40 FCAB O=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1ccccc1F 224223172 HVDCSDMPKOTTAI-UHFFFAOYSA-N 352.391 0.931 0 40 FCAB CCS(=O)(=O)CCN1Cc2ncn(C)c2[C@H](C(=O)N2CCCCC2)C1 248006103 CEFBRUUQPFNDLE-CQSZACIVSA-N 368.503 0.767 0 40 FCAB Cc1cc(C)n(CCNC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)n1 253471210 BNAFRKXROPBVAU-UHFFFAOYSA-N 366.429 0.728 0 40 FCAB COCCN1CC[C@@]2(CN(C(=O)c3ccnnc3)CC(F)(F)C2)C1=O 585093126 DEDXQUZCZZFQSX-OAHLLOKOSA-N 354.357 0.823 0 40 FCAB Cc1cccc(C[C@]2(CO)CN(C(=O)COc3ncccn3)CCO2)c1 585276297 GAYPCLGQBUUPDE-LJQANCHMSA-N 357.410 0.996 0 40 FCAB CNC(=O)C[C@@]1(COC)CN(C(=O)c2cc(F)ccc2OC)CCO1 585278184 MNFJGHDOWFXKJQ-KRWDZBQOSA-N 354.378 0.828 0 40 FCAB CO[C@H]1CCCN(C(=O)/C=C/CN2CCOCC2)[C@H]1CCC(=O)N(C)C 585291143 KYRJEYXGCBDLAG-DGDBIBOCSA-N 367.490 0.749 0 40 FCAB O=c1ccc(-n2cncn2)nn1CC1CCN([C@@H]2CCCC[C@H]2O)CC1 585501008 VRWQBPWAZWEYMP-HZPDHXFCSA-N 358.446 0.840 0 40 FCAB O[C@H]1[C@H](NCc2cncnc2)[C@H]2CO[C@H](O2)[C@@H]1n1cnc2ccccc21 952844956 WJVAQTFNEQUFDP-HSFUPAIVSA-N 353.382 0.642 0 40 FCAB biogenic,in-vitro Cc1nc2ncc3c(=O)n(CC(=O)N4CCc5nc[nH]c5C4)ccc3n2n1 1565524154 CBACXHYMRKTVQN-UHFFFAOYSA-N 364.369 0.056 0 40 FCAB CN(C)S(=O)(=O)N1C[C@H](C(=O)Nc2cccnc2)C2(CCOCC2)C1 2055796160 HBOCOROLODTWKP-CQSZACIVSA-N 368.459 0.555 0 40 FCAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)NCc2cccs2)n(C)c1=O 6637063 SGKCXFMYSNSMDG-UHFFFAOYSA-N 367.818 0.465 0 40 FCAB C[C@@]1(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CCS(=O)(=O)C1 10025115 WTPCUUNZUPFRRA-CRAIPNDOSA-N 364.467 0.771 0 40 FCAB O=S(=O)(c1ccccc1F)N1CCN(c2ccc3nncn3n2)CC1 13847654 ZGKPIHIFSUTDEQ-UHFFFAOYSA-N 362.390 0.774 0 40 FCAB COC(=O)c1ccc(OC)cc1O[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 15394307 FVWJYFJMVZADCX-QWRGUYRKSA-N 371.411 0.552 0 40 FCAB COc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)N(C)C 23110396 LMTUMBSGCFAKMF-UHFFFAOYSA-N 355.460 0.770 0 40 FCAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)C1 24839457 OHQMXQSIHWEPOG-VXGBXAGGSA-N 353.510 0.223 0 40 FCAB Cc1cc(C)n(CCCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n1 32680036 DQKCSCULPGWEHZ-UHFFFAOYSA-N 355.398 0.710 0 40 FCAB CCCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C 32841651 YMNNTYDQRYNQBO-LBPRGKRZSA-N 370.475 0.454 0 40 FCAB O=C1COc2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(Cl)cc2N1 32917769 MCBYJVLDLWVYOX-SECBINFHSA-N 360.775 0.909 0 40 FCAB COC(=O)c1ccc(C)c(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 40051896 BFMVYTQZUZHZOO-ZDUSSCGKSA-N 355.412 0.806 0 40 FCAB O=C(Cc1noc(C(=O)NCC(=O)N2CCCC2)n1)NCc1ccccc1 40285450 BAVOJPVLNWOZBT-UHFFFAOYSA-N 371.397 0.281 0 40 FCAB NC(=O)[C@@H](OC(=O)CCn1nnc2ccccc2c1=O)C1CCOCC1 72313500 RVZSTWYHRDMPDO-HNNXBMFYSA-N 360.370 0.005 0 40 FCAB Cn1cc2c(n1)[C@H](C(=O)N1CCOCC1)CN(C(=O)Cc1ccccn1)C2 72345604 QSQSYOSHQSXSGL-MRXNPFEDSA-N 369.425 0.342 0 40 FCAB COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)Cc1cccc(OC)c1)C2 247830337 HJEUEPHEIKOFNL-AWEZNQCLSA-N 353.440 0.900 0 40 FCAB COCCN1C(=O)CCC[C@H]2CN(C(=O)CN3CCOCC3)CC[C@H]21 257257819 KRFDNOFNHJKQGS-JKSUJKDBSA-N 353.463 0.195 0 40 FCAB Cc1n[nH]c(C)c1CC(=O)N(C)C[C@]1(O)CCCN(c2ncccn2)C1 257311954 ULTBKKWIHBBMMN-GOSISDBHSA-N 358.446 0.849 0 40 FCAB O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3ccccn3)C[C@@H]1C2 306139411 SWOHFBWQSCKRHO-ZBFHGGJFSA-N 353.426 0.829 0 40 FCAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCC(=O)O 408588579 BXTWWAQQVLHOSY-RUDMXATFSA-N 350.283 0.136 0 40 FCAB COC[C@H](C)NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 408621876 PQUDUQAVGBANKK-NSHDSACASA-N 360.432 0.621 0 40 FCAB O=C1COC(=O)N1CCNS(=O)(=O)c1ccccc1Br 575615785 IEZKIADIHWFHKE-UHFFFAOYSA-N 363.189 0.706 0 40 FCAB CN1CCN(C(=O)C[C@@H]2C[C@H]3CN(C(=O)C4CC(F)C4)C[C@H]3O2)CC1 585109199 CSVSFPMCXJYHKM-YLZDHBLKSA-N 353.438 0.515 0 40 FCAB O=C(CCn1cnc2ccccc2c1=O)N1CCN(c2cnsn2)CC1 585148792 IPUBNXLXKYBWRC-UHFFFAOYSA-N 370.438 0.987 0 40 FCAB CN1C[C@H](NC(=O)CN(C)c2ncnc3[nH]cnc23)Cc2ccccc21 636267685 PANISKRMRKCDQY-CYBMUJFWSA-N 351.414 0.966 0 40 FCAB Cn1c(=O)oc2ccc(CN3CCN(c4ncccc4C(N)=O)CC3)cc21 637903855 DMEMKHNJHVCDPA-UHFFFAOYSA-N 367.409 0.948 0 40 FCAB CC[C@H](C)[C@H](C(=O)NCCn1cnc2ccccc2c1=O)n1cnnn1 1565519489 BMJVGAFUFYWKTM-SWLSCSKDSA-N 355.402 0.787 0 40 FCAB CCc1ccc(C(=O)N[C@@H]2CCc3ncc(C(=O)NCCOC)n3C2)cn1 1614941177 UGMAJNBLYICYLW-OAHLLOKOSA-N 371.441 0.962 0 40 FCAB Cc1nnc2ccc(N3CCC[C@@H](N(C)S(=O)(=O)C4CC4)C3)nn12 2086889506 KKFAFTKFKSJTNA-GFCCVEGCSA-N 350.448 0.826 0 40 FCAB CC(=O)N[C@@H]1[C@@H](Oc2ccc(C(C)(C)C)cc2)O[C@@H](CO)[C@@H](O)[C@@H]1O 4305791 PVZNOMYOMQFDQC-SIRPWMCASA-N 353.415 0.307 0 40 FCAB Cc1ccc(Cn2c(SCCO)nc3c2c(=O)n(C)c(=O)n3C)cc1 5612303 AJXHTQJABNVCOS-UHFFFAOYSA-N 360.439 0.875 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC 12752645 INAUKXSBQKSFFO-UHFFFAOYSA-N 358.416 0.691 0 40 FCAB Cc1cc(C(=O)O)cc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)c1C 13027355 UPYSCCZUWCOUBP-JTQLQIEISA-N 359.356 0.598 0 40 FCAB COc1ccc(C2(CN[C@@H]3CS(=O)(=O)C[C@@H]3O)CCOCC2)cc1 13726907 QBVMZOXXMVABGV-CVEARBPZSA-N 355.456 0.491 0 40 FCAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@@H](C)NC(=O)c1ccco1)C2=O 14095203 SIVCQSLMXNVUDI-VVHFOWEKSA-N 362.386 0.930 0 40 FCAB CC(C)N1C[C@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1=O 19659505 ASUSCWQDYSUCAJ-CQSZACIVSA-N 367.471 0.810 0 40 FCAB O=C1CN(CC(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)CCN1 19718755 WTTOCYRUHMYROR-UHFFFAOYSA-N 370.375 0.786 0 40 FCAB NS(=O)(=O)c1cccc(S(=O)(=O)NCCc2cccc(F)c2)c1 23403121 XCBDORWZMIPWJS-UHFFFAOYSA-N 358.416 0.994 0 40 FCAB CN1CCC2(CC1)NC(=O)N(CN1CCN(c3ccccc3)CC1)C2=O 23640995 XEHXSRZOIRFKER-UHFFFAOYSA-N 357.458 0.782 0 40 FCAB Cc1nn(C)c2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)cnc12 32648864 QNZDPAZXHIFUDZ-UHFFFAOYSA-N 355.354 0.484 0 40 FCAB CC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 36354894 MKZPFMKGBPUBTA-IINYFYTJSA-N 367.427 0.703 0 40 FCAB Cn1ncc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1-n1cccc1 40079868 XZLJZFKDCVQHGP-HNNXBMFYSA-N 371.441 0.922 0 40 FCAB O=C(Cc1ccc2c(c1)CCCC2)NCCN1CCS(=O)(=O)CC1 48302302 WWGCWZUXPADDIW-UHFFFAOYSA-N 350.484 0.955 0 40 FCAB CC[C@H](O)CN1CCN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)CC1 95461713 GBSQZIJYGLFLSR-HNNXBMFYSA-N 369.487 0.466 0 40 FCAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(S(C)(=O)=O)C1 96041289 MQJWLMJLPLHOQT-NWANDNLSSA-N 353.444 0.479 0 40 FCAB O=C1CCCN1CC(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 177512052 ZLCCPAZYTCFZRD-AWEZNQCLSA-N 368.430 0.964 0 40 FCAB CCn1cc(C(=O)N2CCC3(CC2)C[C@H](NC)[C@@](C)(O)CO3)c(C)n1 257261562 LHWPYCZVBIKBOT-RDJZCZTQSA-N 350.463 0.946 0 40 FCAB O=C(C1CC1)N1CC[C@@]2(C1)Cn1c(nn(C3CCCC3)c(=O)c1=O)CO2 306126499 DXWBFBMYMDSRRG-GOSISDBHSA-N 360.414 0.431 0 40 FCAB C[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)C[C@@H]1C(=O)O 566007695 NXXXNDCMPZJMOD-UPJWGTAASA-N 361.464 0.553 0 40 FCAB CCc1ccc(S(=O)(=O)N2CC(N3CCC(C(N)=O)CC3)C2)s1 575605315 JHFISOWXIVTOCD-UHFFFAOYSA-N 357.501 0.881 0 40 FCAB Cc1nc([C@]2(C)CCCN(S(=O)(=O)N(C)C)C2)nc2c1CC(=O)N2 585178897 HMDDNPGQCDHCNE-OAHLLOKOSA-N 353.448 0.440 0 40 FCAB CO[C@@H]1CN(C(=O)CNS(C)(=O)=O)CC[C@@H]1Cc1ccccc1F 585279978 UUJFUQNOIAZYLP-UKRRQHHQSA-N 358.435 0.781 0 40 FCAB O=C(Cn1ncccc1=O)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618255006 KDTHFGWYBLPSER-ZDUSSCGKSA-N 351.366 0.866 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)COCc3cccc(C)c3)C2)C1 685943306 YGYKICQDVWEMDB-OAHLLOKOSA-N 359.426 0.317 0 40 FCAB CC(C)N(C)CC(=O)N1CC[C@H]2C(=O)N(Cc3ccncc3)CCO[C@H]2C1 1565550281 XMCRPXXDEYFAFX-MSOLQXFVSA-N 374.485 0.998 0 40 FCAB COC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O 4386350 MTQDTTZNBDQPGC-UHFFFAOYSA-N 373.344 0.361 0 40 FCAB Cn1c(=O)c2c(ncn2CCC(=O)Nc2cc(F)cc(F)c2)n(C)c1=O 4943446 KUPIDLVBVIGICH-UHFFFAOYSA-N 363.324 0.741 0 40 FCAB C[C@@H](C(=O)NCc1ccc(F)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 7029336 BZOHHPXEXZHLGE-JTQLQIEISA-N 359.361 0.450 0 40 FCAB CCCn1c(C(=O)NCc2cccnc2)cc2c(=O)n(C)c(=O)n(C)c21 11796854 OERPZXAUPLEVGM-UHFFFAOYSA-N 355.398 0.774 0 40 FCAB CCn1cc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2CCO)c(C)n1 12390550 HSHRFDRNNBBIGY-WBVHZDCISA-N 365.455 0.853 0 40 FCAB Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)Nc1sccc1C(N)=O 12733955 PIJBYMTZMAIIQN-UHFFFAOYSA-N 364.383 0.562 0 40 FCAB O=C(CC[C@@H]1NC(=O)NC1=O)NCC(=O)Nc1ccc(F)c(F)c1F 12899301 LQPVNRFPETXJAX-QMMMGPOBSA-N 358.276 0.147 0 40 FCAB CN(Cc1ccc(/C=C/C(=O)NCCN2CCOCC2)o1)S(C)(=O)=O 20450102 RWFJZWUHLWYUPB-AATRIKPKSA-N 371.459 0.133 0 40 FCAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)Cn2cnnn2)cc1 22677762 HJGYXKLJYIUUQC-UHFFFAOYSA-N 361.358 0.812 0 40 FCAB Cn1ncc2c(=O)n(CCC(=O)NCCc3ccc4c(c3)OCO4)cnc21 27806420 KTQLFEZYMCVARN-UHFFFAOYSA-N 369.381 0.608 0 40 FCAB COCCNC(=O)CN(C)S(=O)(=O)c1cnn(-c2ccccc2)c1 58201438 UCZMYSPZOWVXNS-UHFFFAOYSA-N 352.416 0.255 0 40 FCAB COc1ccccc1CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 59389816 HULGWTLTOHGUEV-AWEZNQCLSA-N 352.456 0.963 0 40 FCAB CC(C)c1ccc(CN2CCC[C@](O)(CNCc3n[nH]c(=O)[nH]3)C2=O)cc1 67489618 FRDHZMXGNGOUNX-IBGZPJMESA-N 373.457 0.865 0 40 FCAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(C(=O)c3cccc(C)n3)C[C@@H]12 96083170 ICQAAGNEVPGPIB-OAGGEKHMSA-N 361.442 0.877 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2ccc(OCc3nnnn3C)cc2)CC1 96101319 DEPWHHLGTQZDHV-UHFFFAOYSA-N 374.401 0.703 0 40 FCAB Cc1cc(N(C)C)nc(CNC(=O)COc2ccc(-n3cccn3)nn2)n1 96120986 OIQHZLCJKJCQDG-UHFFFAOYSA-N 368.401 0.522 0 40 FCAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1nc2cccnc2[nH]1 190224219 IVOLHQUMGBQVQB-GFCCVEGCSA-N 351.432 0.778 0 40 FCAB O=c1n([C@H]2CCS(=O)(=O)C2)c2ccccc2n1[C@H]1CCS(=O)(=O)C1 217356693 XRQZSKMIMSXUFP-RYUDHWBXSA-N 370.452 0.522 0 40 FCAB CN1CCC(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)CC1 222750941 PKXOZPLSXFMYRY-MRXNPFEDSA-N 367.471 0.814 0 40 FCAB O=C(O)c1ccc(N2C(=O)C[C@@H](N3CCn4c(cccc4=O)C3)C2=O)cc1 256055394 FIXYQESGTKTWRV-OAHLLOKOSA-N 367.361 0.694 0 40 FCAB O=C(c1cnc(O)nc1O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257247323 IYLOSZZQTKEVDS-CQSZACIVSA-N 358.345 0.196 0 40 FCAB COCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408601360 FXPGQYWXMSWXIU-ZDUSSCGKSA-N 372.443 0.237 0 40 FCAB COc1ccc(NC(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)cn1 575607488 CRGLECPVLLAHLM-UHFFFAOYSA-N 352.358 0.536 0 40 FCAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2cnn3ccccc23)C1 585123233 JJVQHBKMEGUEGF-ZDUSSCGKSA-N 365.459 0.805 0 40 FCAB Cc1nc(N2CCN(c3ncnc4c3ncn4C)CC2)c2cnn(C)c2n1 599908551 CVELYZMLSKVBPW-UHFFFAOYSA-N 364.417 0.675 0 40 FCAB COc1cccc(OC)c1-c1nc(O)[nH]c1C1C(=O)N(C)C(=O)N(C)C1=O 604419041 OLQSBVOHDDASMH-UHFFFAOYSA-N 374.353 0.934 0 40 FCAB Cc1nc(C)c(F)c(NC[C@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@H]2O)n1 685940485 BRUPYDJOSIDZJW-QJPTWQEYSA-N 350.398 0.631 0 40 FCAB Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037984918 RVDSXGGQHHFPNR-KRWDZBQOSA-N 350.419 0.207 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCCc1ccccc1 842295 XBHVBQATGARAGX-UHFFFAOYSA-N 369.425 0.893 0 40 FCAB O=S(=O)(NC[C@H]1CCCO1)c1cccc(S(=O)(=O)N2CCCC2)c1 1333249 IEWXZIRUNGXKAC-CYBMUJFWSA-N 374.484 0.928 0 40 FCAB CSCSC[C@@H](CO)NC(=O)/C(C)=C/c1c(C)[nH]c(=O)[nH]c1=O 1743873 PHNDAAHKXMCWTN-VMKBVTSJSA-N 359.473 0.306 0 40 FCAB CCn1c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2n(CC)c1=O 2504048 MUZSCOKSOYJVGC-UHFFFAOYSA-N 367.427 0.224 0 40 FCAB CNS(=O)(=O)c1ccc(NC(=O)[C@H](CCSC)NC(N)=O)cc1 3449254 VRCLBJKOLIBUHS-NSHDSACASA-N 360.461 0.323 0 40 FCAB Nc1ccccc1NC(=O)c1nc2ccccc2nc1[C@@H](O)[C@H](O)CO 4748188 SFSYCEFNBLAIPE-PBHICJAKSA-N 354.366 0.851 0 40 FCAB COc1cc(CNc2nn[nH]n2)cc(Br)c1OCC(N)=O 8470018 LZBAGLCBLINDEP-UHFFFAOYSA-N 357.168 0.447 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2=COCCO2)CC1 10663756 YSPYPMIBGWHHOW-UHFFFAOYSA-N 357.388 0.013 0 40 FCAB CCc1cc(C(=O)N[C@H](C)c2cnn(C)c2C)c2c(=O)[nH]c(=O)n(C)c2n1 19714557 UTUGLPMOZZXEOH-SECBINFHSA-N 370.413 0.717 0 40 FCAB O=C(CN1CCOCC1)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 21422586 MOILPXHIPRKMDA-UHFFFAOYSA-N 369.469 0.849 0 40 FCAB CN(c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1)S(C)(=O)=O 22230677 BVSLINCBZTXBTO-UHFFFAOYSA-N 369.443 0.185 0 40 FCAB Cc1cc(C(=O)NCCCN2CCN(C)CC2)ccc1NS(C)(=O)=O 22822229 MBEIRWLRGZYRST-UHFFFAOYSA-N 368.503 0.734 0 40 FCAB Cc1cc(NC(=O)CN2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)no1 36408779 PQJHPELCXFKRCL-UHFFFAOYSA-N 374.445 0.659 0 40 FCAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccn(C)n3)C2=O)cc1 39996403 LHJCGOISNZDQEN-KRWDZBQOSA-N 357.370 0.834 0 40 FCAB CNC(=O)NC(=O)CCN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 58226801 BZGUYHFHNDYCEA-SFHVURJKSA-N 358.398 0.788 0 40 FCAB CC(C)C(=O)NCCN(C)CC(=O)Nc1ccc(S(C)(=O)=O)cc1 95453484 OSFZOCVUBKCZAX-UHFFFAOYSA-N 355.460 0.733 0 40 FCAB CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)NC3CC3)CC2)O1 96243679 XBBWHIOHABHKEK-AWEZNQCLSA-N 361.446 0.970 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCC2(CN(C(=O)COc3ccccc3)C2)OC1 247511993 IPMIUPYTKTZJJW-AWEZNQCLSA-N 368.455 0.622 0 40 FCAB Cc1ncc(C(=O)N2CC[C@@H](n3ccc(O)nc3=O)[C@](C)(O)C2)c(C)n1 257292183 QKJFDZBDLDOOQC-CXAGYDPISA-N 359.386 0.194 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)CCn2ccnc2-c2ccccc2)CCN1C 257308030 TVDFPMHABUZAFW-MRXNPFEDSA-N 355.442 0.829 0 40 FCAB CCN(CC)C[C@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2cncn21 306125945 DGQJKNVNCFIHMR-AWEZNQCLSA-N 352.464 0.704 0 40 FCAB O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C1CCOCC1)C2 514289537 NSDYYZGZMKOPFE-ZWKOTPCHSA-N 372.469 0.206 0 40 FCAB biogenic,in-vitro O=C(c1cccc(O)c1)N1Cc2ccnn2[C@H](C(=O)N2CCOCC2)C1 575403134 DJYZOGUOZBQXPF-INIZCTEOSA-N 356.382 0.645 0 40 FCAB COc1ccc(Cn2cc(C(=O)N3CCO[C@H](CC(N)=O)C3)cn2)cc1 629400185 PTNGRVZXTBSIRQ-MRXNPFEDSA-N 358.398 0.656 0 40 FCAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@]1(OCCO)CCOC1 657086413 LXFQRGIWJPXSFN-AWEZNQCLSA-N 365.835 0.795 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)COc2ccccc2F)CCO1 681944147 UFZPEUMTZLHQEU-ZDUSSCGKSA-N 368.361 0.365 0 40 FCAB COc1ncccc1C(=O)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888906808 FCNYKRUFGUEZOC-CHWSQXEVSA-N 365.397 0.736 0 40 FCAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 3358706 OMAVWEYSAJLXKL-UHFFFAOYSA-N 368.415 0.383 0 40 FCAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 5341590 FJFSMDLWPGSBOJ-UHFFFAOYSA-N 356.444 0.859 0 40 FCAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1C(=O)NC2(CCCC2)C1=O 12599110 JRZJTSUSVGUBPX-AWEZNQCLSA-N 370.409 0.290 0 40 FCAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(=O)N2CCCC2)c1 14134978 NSIBNHPVHPLJML-UHFFFAOYSA-N 373.862 0.943 0 40 FCAB CN(C)c1nc2n(c(=O)n1)CCN2S(=O)(=O)c1ccc(Cl)cc1 16855431 BQGBCJDKHBOQTR-UHFFFAOYSA-N 355.807 0.567 0 40 FCAB C[C@@H](NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 20768918 ZZQIFUCWWGQCPX-GFCCVEGCSA-N 361.423 0.828 0 40 FCAB O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 22609801 JTTIDSKNFCKHIV-CHWSQXEVSA-N 358.485 0.672 0 40 FCAB Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)CC[C@@H]1NC(=O)NC1=O 25385474 ILWJAXUSACUZQF-KOLCDFICSA-N 351.334 0.993 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 29959338 LLOZCQWKGRMCFS-PWSUYJOCSA-N 356.831 0.996 0 40 FCAB C[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)NC1CC1 32841062 HWMHLSXSVUTSOR-NSHDSACASA-N 354.428 0.602 0 40 FCAB C[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2cnn(C)c2)CC1 36392159 SCEHBHDRPYLYND-CQSZACIVSA-N 369.491 0.127 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2cc(Br)ccc2O)CC1 49346885 POYQTFIMPJAAEZ-UHFFFAOYSA-N 363.233 0.872 0 40 FCAB O=S(=O)(NC1CCN(C[C@H](O)Cn2cccn2)CC1)c1cccs1 51321405 ILDUTQGUVICLGB-AWEZNQCLSA-N 370.500 0.748 0 40 FCAB CN(C)C(=O)CN1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1 58210749 ZNVAKCDVNISFLB-UHFFFAOYSA-N 374.470 0.375 0 40 FCAB Cc1ccc([C@@H](CNC(=O)Cn2cnc3c(cnn3C)c2=O)N(C)C)cc1 58217965 YEXLBCALWYTZKZ-MRXNPFEDSA-N 368.441 0.858 0 40 FCAB Cc1nnnn1-c1cc(NC(=O)N[C@@H](C)CN2CCOCC2)ccc1F 69716093 MZYPRXJNAZBBEZ-NSHDSACASA-N 363.397 0.952 0 40 FCAB CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](C(=O)NCC2CC2)C1 253492700 QVURXLFSHRMUOH-HNNXBMFYSA-N 353.488 0.881 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCC3)c2)CCN1C(C)=O 257236991 HETIYSVNAVZGJW-KRWDZBQOSA-N 358.442 0.706 0 40 FCAB CN[C@@H]1CO[C@@H]2CCN(C(=O)CCn3nccc3C)C[C@@H]2C[C@@]1(C)O 257260307 LCGVTUDPLMDEMK-BVIKNXMNSA-N 350.463 0.558 0 40 FCAB O=C1C[C@@H](C(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)CN1 373624197 HXUSOZSKGQKIKZ-ZWNOBZJWSA-N 371.315 0.721 0 40 FCAB Cc1c(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cnn1C 408483871 MUGVVDMRHDSVAS-GFCCVEGCSA-N 368.459 0.715 0 40 FCAB CN(CC(=O)N1CCNC1=O)C[C@@H]1C[C@H](F)CN1Cc1nccs1 583622986 FTIAAKCUWGBXTO-RYUDHWBXSA-N 355.439 0.539 0 40 FCAB O=C(O)[C@H]1CC[C@@H](C(=O)N2CCN(c3nc4ccccc4o3)CC2)CN1 657213563 NTWPDWAZBONGEB-TZMCWYRMSA-N 358.398 0.929 0 40 FCAB Cn1nccc1C(=O)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 1565541848 BALNDBSEQFVBBV-SCLBCKFNSA-N 355.398 0.472 0 40 FCAB CN1CCN(Cc2cccnc2)C(=O)C12CCN(C(=O)c1cc[nH]n1)CC2 1565549214 RUGAKFTZAMEREP-UHFFFAOYSA-N 368.441 0.754 0 40 FCAB COCCCNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6719961 AXRYIXVJNPGFNW-UHFFFAOYSA-N 369.443 0.790 0 40 FCAB CN(CC(=O)NCc1ccco1)C(=O)Cn1cnc2sccc2c1=O 12568906 PCPMOQQAVKWXHZ-UHFFFAOYSA-N 360.395 0.826 0 40 FCAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccccc1N1CCCC1=O 32858318 YRLJTNFVLWTPBH-UHFFFAOYSA-N 370.365 0.705 0 40 FCAB COCC(=O)O[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 32859647 WPKRSYMWACYHTK-LLVKDONJSA-N 358.416 0.762 0 40 FCAB CCNC(=O)CNC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C 39984963 XFELKEHPXGCDFL-UHFFFAOYSA-N 355.460 0.533 0 40 FCAB COc1ccc(CN2C(=O)CO[C@H]3CN(C(=O)CCC(=O)O)C[C@H]32)cc1 67897579 VHJZLZKJRLIIIX-CABCVRRESA-N 362.382 0.498 0 40 FCAB biogenic,in-vitro COC(=O)[C@H](CCSC)NC(=O)[C@H](C)n1nnc2ccccc2c1=O 71279212 XZDAPIRGMYYAOY-GWCFXTLKSA-N 364.427 0.763 0 40 FCAB CS[C@H]1CN(c2ccc(C(=O)NC3CCOCC3)nn2)C[C@@H]1N(C)C 89314163 WTYJQGVAJLPOMU-GJZGRUSLSA-N 365.503 0.867 0 40 FCAB O=C(O)[C@]12[C@H]3[C@H]4[C@@H]([C@H]5[C@H]1[C@H]3[C@]5(Br)C41OCCO1)C21OCCO1 102937628 GCTJOCJIURITLW-TXBPLJCDSA-N 371.183 0.443 0 40 FCAB CNC(=O)c1cc(C)ccc1NCC(=O)N1CCN(C(=O)C2CC2)CC1 152045559 OYYOLKUVWFFNDH-UHFFFAOYSA-N 358.442 0.847 0 40 FCAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CCc1ccc(S(C)(=O)=O)cc1 225632932 UASLHFLLQAYVPZ-UKRRQHHQSA-N 369.439 0.812 0 40 FCAB O=C(NCCn1nnc2ccccc2c1=O)c1cccc2c1OCCO2 225798074 AXPWHCSRVYNLLU-UHFFFAOYSA-N 352.350 0.993 0 40 FCAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)[C@H]1COc2ccccc2O1 225805594 GGZQTOMCWCRLCF-CYBMUJFWSA-N 373.390 0.708 0 40 FCAB Cc1nc2cc(C(=O)N[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)ccc2n1C 257239574 HPYGFJRQICVUKC-ZTFGCOKTSA-N 358.442 0.836 0 40 FCAB Cc1nc(O)cc([C@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)n1 257249026 JGJKSYLMEGOFHH-CQSZACIVSA-N 356.448 0.288 0 40 FCAB NC(=O)Cc1csc(NC(=O)C[C@H](c2ccsc2)n2cnnn2)n1 524735674 QQPYARZHSRCVDC-SNVBAGLBSA-N 363.428 0.837 0 40 FCAB O=C1NC(=O)N2CCN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@H]12 539805438 ARLGDPPQFRLYLS-CQSZACIVSA-N 350.382 0.768 0 40 FCAB Cc1noc(CC(=O)N2C[C@H]3C(=O)N(Cc4cccnc4)CC[C@H]3C2)n1 585107839 LMFIZSGPOMMFEY-LSDHHAIUSA-N 355.398 0.823 0 40 FCAB CCN1C[C@@H](C(=O)Nc2cc3n(n2)CCN(C)C3)[C@H](c2cn(C)cn2)C1 1614995491 BIHHYBDIVUHOMT-HUUCEWRRSA-N 357.462 0.736 0 40 FCAB CCS(=O)(=O)N1C[C@@H]2C[C@@H]3CN(C(=O)C4CC(F)(F)C4)C[C@@]2(C1)O3 2055844891 LPMUGSJYWBSXSS-SCRDCRAPSA-N 364.414 0.683 0 40 FCAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCn1nnc3ccccc3c1=O)CS2 3364632 RCJLBWOLCLQXSU-MLGOLLRUSA-N 360.395 0.746 0 40 FCAB C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 5480265 BCJMNZRQJAVDLD-VMOBWIEOSA-N 351.399 0.165 0 40 FCAB biogenic,in-vitro CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O 8987303 KAHVTZOYQRFOTM-OAHLLOKOSA-N 366.447 0.848 0 40 FCAB C[C@H](C(=O)N1CCN(C=O)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O 10284559 MNYYYQDVUTZLHU-GFCCVEGCSA-N 373.862 0.795 0 40 FCAB CNC(=O)N(C)C(=O)c1cnc2c(c1)c(C)nn2[C@@H]1CCS(=O)(=O)C1 12907652 SVUKRQMPTCNIPV-LLVKDONJSA-N 365.415 0.511 0 40 FCAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 13721475 ISHIIGGALMWMRQ-UHFFFAOYSA-N 367.413 0.932 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)O)CC2)cc1 26477214 RFSNRQFZRPSIRO-UHFFFAOYSA-N 356.400 0.297 0 40 FCAB O=C(CSc1nnc([C@H]2CCS(=O)(=O)C2)o1)NCC(F)(F)F 32777778 OLOSWBUKYVWXPY-LURJTMIESA-N 359.351 0.742 0 40 FCAB COC(=O)CCNC(=O)CCn1cnc2cc(OC)c(OC)cc2c1=O 36369926 IIDAIAGUVGKSCD-UHFFFAOYSA-N 363.370 0.483 0 40 FCAB biogenic COC(=O)c1ccc(OC[C@@H](O)Cn2nnc(-c3cccnc3)n2)cc1 58217878 FVPSLYZAGQPQGF-AWEZNQCLSA-N 355.354 0.962 0 40 FCAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](O)c1ccc(F)c(F)c1 58421696 IPBCGRMBDRYYHW-KGLIPLIRSA-N 362.398 0.929 0 40 FCAB CC1(C)S[C@@H]([C@H](NC(=O)COc2ccccc2)C(=O)O)N[C@H]1C(=O)O 65748377 FJTUHYOOCYRLJI-AVGNSLFASA-N 368.411 0.529 0 40 FCAB in-vitro O=S(=O)(CCC1CC1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 96000424 KNDNYXNZIPWYIT-CQSZACIVSA-N 366.505 0.243 0 40 FCAB COC[C@@H]1CC2(CCN(C(=O)c3cnoc3)CC2)CN1S(C)(=O)=O 96217632 DDERKFIRCGHTRG-ZDUSSCGKSA-N 357.432 0.577 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1cnn(C)c1)CC2 248154394 VDFXPNJXRWFQPK-HNNXBMFYSA-N 356.492 0.540 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cnc(C)nc2)CCN1Cc1ccccc1 257228580 FUKGOMWHTPVCCU-QGZVFWFLSA-N 353.426 0.858 0 40 FCAB Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)NC(C)C 408612732 YNWAPHJCLFZGAQ-UHFFFAOYSA-N 369.487 0.744 0 40 FCAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](CNC(N)=O)C2)C1 524929002 NTKBGYZXIGVNQC-JHJVBQTASA-N 360.480 0.432 0 40 FCAB Cc1cc(NC(=O)CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)no1 548345925 XGRMHTPUWWMKBI-UHFFFAOYSA-N 367.431 0.916 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1 566656296 PPPZPWGGEXTNSW-ZFWWWQNUSA-N 356.444 0.189 0 40 FCAB CCOCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccccn2)C1 575404845 DSMHTCPETDPGQV-MRXNPFEDSA-N 357.414 0.904 0 40 FCAB Cc1nc2ncnn2c(N(C)C2CN(c3ccc4nncn4n3)C2)c1C 585592381 CUIAHFZVYADBJY-UHFFFAOYSA-N 350.390 0.504 0 40 FCAB Cc1ccoc1CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 644515464 XIAFQDKNWDKDAS-AWEZNQCLSA-N 371.459 0.924 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)CCO1 653552938 OZSFANMDTNQXQO-HNNXBMFYSA-N 374.397 0.266 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(C(C)=O)CCN(C(=O)CCc1cncnc1)C2 1565548277 AOBYWSJMYOAGNB-IBGZPJMESA-N 373.457 0.339 0 40 FCAB COC1(CC(=O)N2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)CCC1 1565550792 FNTYRZRQACBOQI-HOTGVXAUSA-N 374.441 0.878 0 40 FCAB CCn1cc(CC(=O)N[C@@H]2CC[C@H](CNC(=O)C(C)(C)C(N)=O)C2)cn1 1719454667 NVYVGKVZWJKJJI-GXTWGEPZSA-N 363.462 0.358 0 40 FCAB CCOCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713620 OINNLCASBKOFHQ-CQSZACIVSA-N 364.446 0.461 0 40 FCAB CC(C)OC[C@@H](O)Cn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 850901 YHYSDMVHGMHSKA-LBPRGKRZSA-N 365.434 0.200 0 40 FCAB N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@H](N)Cc1ccccc1 1616445 YWFZWSSERWXERI-HDICACEKSA-N 354.454 0.359 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)c2cccc(Cl)c2)c(=O)n(C)c1=O 3264820 BOXVVOIGLHXXTA-UHFFFAOYSA-N 351.746 0.359 0 40 FCAB Cn1c(N)c(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(=O)[nH]c1=O 5572647 DSJXCYAXDUQOHR-UHFFFAOYSA-N 362.415 0.435 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)COc2ccccc2C(N)=O)c2ccccc2O1 7827641 RYTKKMGHWFDGRV-MRXNPFEDSA-N 369.377 0.705 0 40 FCAB NC(=O)[C@@H]1CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)c2ccccc2O1 9614126 OVNLZIYBXOPWCA-INIZCTEOSA-N 364.361 0.745 0 40 FCAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1 11906360 KIHXCDZQAYRAEU-UHFFFAOYSA-N 368.396 0.344 0 40 FCAB C[C@H]1Oc2ccccc2N(CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1=O 12881897 JUZGKWAZAKMROR-OLZOCXBDSA-N 366.439 0.836 0 40 FCAB Cc1nn2c(=O)cc(COC(=O)CNC(=O)c3ccccc3)nc2s1 15733887 VKQVKLDXICIVEJ-UHFFFAOYSA-N 358.379 0.933 0 40 FCAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCCOC 22252521 MLYGAQGDLTUDFG-UHFFFAOYSA-N 360.432 0.866 0 40 FCAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(C(=O)N(C)C)CC1 32797193 WISYYYMTVKAXSR-NSHDSACASA-N 359.430 0.983 0 40 FCAB Cc1ccc(CSCCNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 33330740 OWESNWUYDHHGOV-UHFFFAOYSA-N 369.468 0.892 0 40 FCAB CC(C)C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1nccs1 36359421 HYTDYMSYVXUBPP-MNOVXSKESA-N 374.488 0.983 0 40 FCAB CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccccc1 39985310 KGMKOKNJUYUGQX-UHFFFAOYSA-N 353.444 0.421 0 40 FCAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)n2)n1 40285520 ICWSVYBLFNOFMS-UHFFFAOYSA-N 366.381 0.783 0 40 FCAB COc1ccc(CN2CN=C(NS(=O)(=O)C(C)C)NC2)cc1OC 40387340 OKBBNXNSHYSGIC-UHFFFAOYSA-N 356.448 0.708 0 40 FCAB O=C(NCCCN1CCCC1=O)NCCS(=O)(=O)c1ccccc1 57420732 QSDPGFMZSLHRIT-UHFFFAOYSA-N 353.444 0.772 0 40 FCAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 58186290 NUUTVXFCKVSKPU-LBPRGKRZSA-N 363.480 0.689 0 40 FCAB CS(=O)(=O)N[C@@H]1COCCC12CCN(C(=O)c1cscn1)CC2 96220372 PLBRDBPWVATOEA-GFCCVEGCSA-N 359.473 0.704 0 40 FCAB COCc1noc(CN2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)n1 187397138 CKAXFIQOQDAAPN-UHFFFAOYSA-N 362.434 0.453 0 40 FCAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCC[C@H](Oc2cnccn2)C1 225475273 GEELASGQHKWMFI-HOCLYGCPSA-N 374.441 0.874 0 40 FCAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)CNS(C)(=O)=O)n1 257211082 BXLPGZNZNUWKDN-CYBMUJFWSA-N 355.464 0.059 0 40 FCAB Cc1c(CCC(=O)N2CCOC[C@@H](Cc3cc(O)ncn3)C2)cnn1C 257304912 SNPYFBRTFLQQQY-AWEZNQCLSA-N 359.430 0.874 0 40 FCAB Cc1cc(N2Cc3cncn3[C@H](COCC(=O)N(C)C)C2)n2ncnc2n1 306134646 NUIPVSRUUIXHIH-AWEZNQCLSA-N 370.417 0.295 0 40 FCAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCCCn1ccnc1 408618153 DBYUSMNEMXEUBX-UHFFFAOYSA-N 364.471 0.894 0 40 FCAB CC(=O)N1CCN(C[C@@H]2OC[C@H](NCc3ccc(F)cc3)[C@H]2O)CC1 514289094 OAAMDONXXHWIFA-OKZBNKHCSA-N 351.422 0.208 0 40 FCAB biogenic,in-vitro COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H]1C=CS(=O)(=O)C1 575426350 RTVJRYHZKCUMBC-LLVKDONJSA-N 360.413 0.243 0 40 FCAB COCCNC(=O)[C@@H]1CCC2(CCN(C(=O)Cc3ccn(C)n3)CC2)O1 585113461 KSXRNHJQYDXTSZ-HNNXBMFYSA-N 364.446 0.265 0 40 FCAB COC[C@@]1(CC(=O)NCCn2nc(C)cc2C)CN(C(C)=O)CCO1 585280114 AKVIWBRCIFLDDT-QGZVFWFLSA-N 352.435 0.270 0 40 FCAB CN(C)CC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585287650 ZWSZOAZKOZNTDV-QGZVFWFLSA-N 369.849 0.753 0 40 FCAB O=C(N[C@H]1CCCS(=O)(=O)C1)[C@H](c1cccc(F)c1)N1CCOCC1 607906250 OVWMTUZOKJBOPZ-HOTGVXAUSA-N 370.446 0.892 0 40 FCAB COc1cccc2c1OC[C@H](NC(=O)N1CCc3c(ncn(C)c3=O)C1)C2 681868869 LSLIHNIQMJRQPX-CYBMUJFWSA-N 370.409 0.860 0 40 FCAB O=C(Cn1ccccc1=O)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565544620 OKBJBRBLJWUHOQ-UHFFFAOYSA-N 367.409 0.684 0 40 FCAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 1614931251 CYYRQOXWMPMAGA-DNVCBOLYSA-N 370.457 0.821 0 40 FCAB Cc1cc(N2C[C@@H]3CN(c4cc(O)nc(O)n4)C[C@@H]3C2)n2nccc2n1 1888881871 ZBNLRAAHTAZQJM-TXEJJXNPSA-N 353.386 0.812 0 40 FCAB COc1cnc(C(=O)N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)nc1 2055750690 QFXSUHMYLMHQEO-HZPDHXFCSA-N 373.413 0.815 0 40 FCAB COCC(=O)N1CCC[C@@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 2055835250 ZYZJXWNRVSMRRA-GOSISDBHSA-N 360.414 0.824 0 40 FCAB CCOC(=O)N1CCOCCOCCN(C(=O)OCC)CCOCC1 3898929 RUMUQXZUKWOQMH-UHFFFAOYSA-N 362.423 0.967 0 40 FCAB Nc1cc(=O)[nH]c(SCC(=O)Nc2nnc(C(F)(F)F)s2)n1 4911020 NVBCJSZJSDEBCY-UHFFFAOYSA-N 352.323 0.953 0 40 FCAB CCOP(=O)(CS(=O)(=O)CC[C@@]1(C)NC(=O)NC1=O)OCC 5759237 DEKGHSQXNZJMJD-LLVKDONJSA-N 356.337 0.613 0 40 FCAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCNC2=O)C1=O 6609480 HODSTSIZRYZEQV-HNNXBMFYSA-N 352.297 0.284 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1 9154351 ZHNHHPVJUNIFGP-UHFFFAOYSA-N 354.457 0.759 0 40 FCAB NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 12362090 BZKXKGMGDKAAKT-LBPRGKRZSA-N 351.428 0.699 0 40 FCAB Cc1ccc(S(=O)(=O)NCCNS(C)(=O)=O)c(Br)c1 13005213 PSCDLLMWXRAMQB-UHFFFAOYSA-N 371.278 0.585 0 40 FCAB Cc1ccc(OCCN(C)CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)cc1 14108801 ZYMZTFRYUANALW-UHFFFAOYSA-N 372.425 0.956 0 40 FCAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccnc1 20729591 OTQCTUQBONUQHR-OAHLLOKOSA-N 352.394 0.981 0 40 FCAB CCOC(=O)c1cccc(OC[C@H](O)CN2CCN(C(C)=O)CC2)c1 23640425 OGOGFTRVFXPBEJ-MRXNPFEDSA-N 350.415 0.767 0 40 FCAB O=C(CCn1nnc2ccccc2c1=O)N1CCN(c2cnccn2)CC1 25343256 GCOYZSUNDKSRDY-UHFFFAOYSA-N 365.397 0.320 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1 41625294 UBIGSVANDSJJDP-OAHLLOKOSA-N 365.499 0.833 0 40 FCAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2c[nH]ccc2=O)N(C)C)cc1 44900627 LFAMRLRLWAFIHQ-OAHLLOKOSA-N 358.398 0.741 0 40 FCAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCCN3CCOCC3)cc2)o1 44920573 LXJMJJLQEBFBDC-UHFFFAOYSA-N 359.386 0.432 0 40 FCAB CNC(=O)NC(=O)[C@H](C)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1 56175075 GDJNTLCTSAEKIP-JTQLQIEISA-N 364.402 0.609 0 40 FCAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C(=O)N2CCOCC2)c1C 58218954 NVKZZJHOVNQDMP-GFCCVEGCSA-N 351.403 0.785 0 40 FCAB C[C@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)N1CCS(=O)(=O)CC1 67279054 ZKYDIZBGVDWUJR-AWEZNQCLSA-N 364.467 0.870 0 40 FCAB CCNC(=O)[C@H](C)NC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 69484712 WAZOGGLTVUHLHM-SMDDNHRTSA-N 353.444 0.014 0 40 FCAB C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 90500581 DCVNPEFBNLITSW-UKRRQHHQSA-N 352.456 0.975 0 40 FCAB O=C(CCNC(=O)c1ccc(Br)cc1)Nn1cn[nH]c1=O 95464753 OAWOZGLZAWREST-UHFFFAOYSA-N 354.164 0.224 0 40 FCAB CCN1CCn2c(nn(Cc3nc(-c4cccc(F)c4)no3)c2=O)C1=O 98213001 IIKOLNYBFMLBPY-UHFFFAOYSA-N 358.333 0.758 0 40 FCAB CC(C)(CNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCOCC1 102842357 VLFVDMIUDYUWBH-GASCZTMLSA-N 365.474 0.779 0 40 FCAB Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 225676823 PPJAREBVKQIYFB-UHFFFAOYSA-N 370.456 0.442 0 40 FCAB CCOc1ccc(-c2noc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)n2)cn1 238865822 LTGYSPDYPCMLEO-LLVKDONJSA-N 366.399 0.581 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn2C1 247498690 DUXYUDZIUMFVCB-CYBMUJFWSA-N 368.484 0.695 0 40 FCAB CC(C)N1CCN(CC(=O)N2CC[C@@H]3[C@H](CCCC(=O)N3C)C2)CC1 257208066 BKOBEGJXHUAVJZ-IAGOWNOFSA-N 350.507 0.872 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCN1C(C)=O 257312234 UMYGUZYPMUDHCX-MRXNPFEDSA-N 372.425 0.232 0 40 FCAB CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cccc2c1OCCO2 268415063 VGLCDJAFZHGHEL-AAEUAGOBSA-N 354.428 0.906 0 40 FCAB CCn1cc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cn1 306143236 XWXMTMCIBLIUMU-KGLIPLIRSA-N 355.446 0.691 0 40 FCAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(C2OCCO2)O1 409306780 PWNGGEZRFVENDJ-ZYKCCNLVSA-N 371.345 0.659 0 40 FCAB O=C(NC1CC(F)(F)C1)[C@@H]1CN(C(=O)c2ccnnc2)Cc2ccnn21 575404487 NAWGPOMTZBPVJJ-ZDUSSCGKSA-N 362.340 0.784 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@@H](CCNC(=O)c2cscn2)C1 585112169 JZCZUWWSDWOCTL-NSHDSACASA-N 369.472 0.866 0 40 FCAB CC(C)n1cnc(S(=O)(=O)NCc2nc(-c3cnn(C)c3)no2)c1 585149277 FHURUBUQYFZYCG-UHFFFAOYSA-N 351.392 0.726 0 40 FCAB C[C@]1(C2CCN(C(=O)[C@@H](C(=O)O)C3CCCC3)CC2)NC(=O)NC1=O 663061329 GRIHWJQQJCBPQT-YVEFUNNKSA-N 351.403 0.714 0 40 FCAB O=C(C1CC(F)(F)C1)N1CCOC[C@]2(C[C@H](Cn3cnnc3)CO2)C1 1565549428 XAXKBLZAUOVFLY-DOMZBBRYSA-N 356.373 0.958 0 40 FCAB Cn1c(N2CCN(c3cc(C(C)(C)C)ncn3)CC2)cc(=O)n(C)c1=O 1776008423 DTBLLMKUCYPTQU-UHFFFAOYSA-N 358.446 0.498 0 40 FCAB COCCn1cnc2c(N3C[C@H]4CN(c5cnccn5)C[C@@H]4C3)ncnc21 1888906243 SAVQGWCBZXZIKK-ZIAGYGMSSA-N 366.429 0.835 0 40 FCAB NCC(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CC1 2125089 HSSIKNKSOUUQNX-INIZCTEOSA-N 372.425 0.477 0 40 FCAB biogenic COC(=O)c1ccc(NC(=O)CSc2nnc3[nH]c(=O)ccn23)cc1 4249803 WTFFMOLTCMGUFZ-UHFFFAOYSA-N 359.367 0.935 0 40 FCAB COCCCNC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 4999828 OKSSVPAHDCSHGB-UHFFFAOYSA-N 371.393 0.957 0 40 FCAB CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 5087138 BQOQARRHYGYKHX-LBPRGKRZSA-N 353.379 0.125 0 40 FCAB O=C(c1cnccn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6237207 QEQONFWCULHHLP-UHFFFAOYSA-N 350.375 0.762 0 40 FCAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCCOC)c3=O)cc1 12234026 UWZARBOIWSVSDQ-UHFFFAOYSA-N 359.386 0.565 0 40 FCAB O=C(Nc1cccc(F)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12782201 SZKTWEAFNGDIIX-GFCCVEGCSA-N 353.375 0.930 0 40 FCAB CCCn1c(N)c(C(=O)CSc2nnc(NC)s2)c(=O)[nH]c1=O 12882010 BESTZILEQLRVFP-UHFFFAOYSA-N 356.433 0.397 0 40 FCAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ncc(C(N)=O)s2)c1 14159585 LYIBXWDHZNTJTE-UHFFFAOYSA-N 354.413 0.745 0 40 FCAB C[C@H](C(=O)NCCc1cccs1)N1CCN(CC(=O)NC2CC2)CC1 22787244 BACUPSJCUPNAQN-CQSZACIVSA-N 364.515 0.692 0 40 FCAB Cc1nn(C)c2ncc(NC(=O)Cn3nnn(-c4cccs4)c3=O)cc12 25163883 MVHPRPJQVXDLFG-UHFFFAOYSA-N 370.398 0.719 0 40 FCAB O=C(CN1CCN(C[C@H](O)COc2ccccc2F)CC1)NC1CC1 32772983 XLHLQAMUROZPGV-HNNXBMFYSA-N 351.422 0.462 0 40 FCAB O=c1/c(=C/c2ccc3c(c2)OCO3)sc2n1NC1(CCCCC1)NN=2 39379152 SNOZONOXZXMLJP-ZROIWOOFSA-N 358.423 0.809 0 40 FCAB CC(=O)N1CCCN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1 48365833 CYIBDPGVPWWDKA-KRWDZBQOSA-N 374.420 0.985 0 40 FCAB CCOC(=O)CCC(=O)N1CCN(C(=O)c2cnn3ccccc23)CC1 75170973 ORJFTAAVRAQNAY-UHFFFAOYSA-N 358.398 0.962 0 40 FCAB Cc1cc(NC(=O)CN(C)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)no1 102190870 FPDGWGBGGDDJET-KUDNYVPYSA-N 372.381 0.187 0 40 FCAB CS(=O)(=O)N[C@H](CC(=O)NCCN1CCOCC1)c1ccc(F)cc1 225947969 SUZACQZIJGFQPI-OAHLLOKOSA-N 373.450 0.255 0 40 FCAB Cc1noc(C)c1C(=O)N1CCOC[C@H]1c1[nH]ncc1S(C)(=O)=O 257225546 FGRNFUCMRZMFAB-JTQLQIEISA-N 354.388 0.632 0 40 FCAB CCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1cc(C)c(C)cc1C 575424012 QYYUFKHSKGNOGU-UONOGXRCSA-N 361.485 0.780 0 40 FCAB Cc1ccccc1CCc1cc(NC(=O)[C@@H](N)CCS(C)(=O)=O)n[nH]1 646500384 MMTPWHFOPJECPI-HNNXBMFYSA-N 364.471 1.204 0 40 FCAB COc1cnccc1C(=O)N1CC2(CCN(S(=O)(=O)C3CC3)C2)C1 1565553679 HVJPWIXHZWABGT-UHFFFAOYSA-N 351.428 0.730 0 40 FCAB Cn1cnc(C(=O)N2CCc3c(CNC(=O)c4ccco4)cncc3C2)n1 1565554439 ZTGARJCJNSBSDN-UHFFFAOYSA-N 366.381 0.932 0 40 FCAB C[C@@](O)(CNS(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1)C(=O)O 1589147369 FSCUCGFHWZZRTO-CYBMUJFWSA-N 365.766 0.967 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@H](NC(=O)CC1(OC)CCC1)CC2 1614941076 HTZYPHIBVFYLEX-CYBMUJFWSA-N 364.446 0.650 0 40 FCAB Cn1c(=O)c2nc(SCC(=O)NC3CCCCC3)n(C)c2n(C)c1=O 4570957 WZWUPEOCQJMXIE-UHFFFAOYSA-N 365.459 0.512 0 40 FCAB O=C(COCC(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCOCC1 4704275 RREKQLLZUMYIOP-UHFFFAOYSA-N 365.405 0.350 0 40 FCAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CC[C@@H]1NC(=O)NC1=O 8292870 QCXYEFORLMNNQG-NSHDSACASA-N 352.778 0.725 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccncc2)c1 12549160 FILWLBJEZZBVSO-UHFFFAOYSA-N 364.427 0.913 0 40 FCAB COc1ccc(S(=O)(=O)NCCNC(=O)c2cccn2C)cc1OC 13022133 KGHJHWXSNSZPLC-UHFFFAOYSA-N 367.427 0.751 0 40 FCAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 19291934 VIHSWTNCBLPESA-QWHCGFSZSA-N 365.455 0.330 0 40 FCAB CCOC(=O)N1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 28197607 IZZKFZJYWJHLDE-UHFFFAOYSA-N 369.443 0.567 0 40 FCAB COC[C@@H](C)NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 32489486 SXXZTQMEMOESAP-OAHLLOKOSA-N 363.458 0.727 0 40 FCAB NC(=O)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 32777746 YSTDPMKCALVWHC-OAHLLOKOSA-N 352.460 0.171 0 40 FCAB O=C(CNC(=O)N[C@H]1CCS(=O)(=O)C1)Nc1cc(Cl)ccc1O 36365125 PJMDOYZACBGFNW-VIFPVBQESA-N 361.807 0.470 0 40 FCAB CCN(CC)C(=O)CN1CCCN(C(=O)Cn2nnc3ccccc32)CC1 40087849 VRKVBHFEMBFOMU-UHFFFAOYSA-N 372.473 0.834 0 40 FCAB COCCCNC(=O)CS(=O)(=O)Cc1cc(C(C)=O)ccc1OC 40162068 MCILJQBXXQYDBI-UHFFFAOYSA-N 357.428 0.965 0 40 FCAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1cccnc1 49549051 OTXMOSOHZGCAGG-UHFFFAOYSA-N 364.365 0.745 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 61719812 SRCBGQHOXWKLIO-GFCCVEGCSA-N 369.443 0.168 0 40 FCAB COCCNC(=O)CN(C)CC(=O)Nc1ccc(Br)cn1 70012703 FQNQDTTUYCINFC-UHFFFAOYSA-N 359.224 0.477 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2cccnc2)C[C@@]2(CC(=O)N(C)C2)C1 96036111 ASVJIPMKNHEIRY-IBGZPJMESA-N 373.457 0.806 0 40 FCAB COCCN1C[C@@H]2[C@@H](OC)CCN(S(=O)(=O)c3cccnc3)[C@@H]2C1 96109430 PESUHOCGWCZWFG-XHSDSOJGSA-N 355.460 0.438 0 40 FCAB Cc1ccccc1OC[C@@H](O)Cn1c(S)nc2c1c(=O)[nH]c(=O)n2C 100566035 YULIGCXEJLZULD-JTQLQIEISA-N 362.411 0.460 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 102238963 SBJNMSCTFMWMOU-JURCDPSOSA-N 366.439 0.740 0 40 FCAB CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@@H](C)[C@H](O)[C@@H]2O)cc1F 202315604 GAGWJHPBXLXJQN-KYVBTAMFSA-N 359.354 0.760 0 40 FCAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]21 247499536 FDGVMIMKKCOVKM-XJKCOSOUSA-N 354.428 0.411 0 40 FCAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(c1cc(N(C)C)ncn1)C2 248155266 YVWFKOXRCYOOGQ-CYBMUJFWSA-N 369.491 0.467 0 40 FCAB O=C(O)c1nn(-c2cccc(Cl)c2)nc1N1CCN(CCO)CC1 256045901 BPNQEMIJOVEQDI-UHFFFAOYSA-N 351.794 0.733 0 40 FCAB Cn1nccc1CCC(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1 257255624 KIFYIPQFCUYXDL-HZPDHXFCSA-N 359.382 0.702 0 40 FCAB Cn1cc(C(=O)N2CCC[C@H](Cc3[nH]ncc3S(C)(=O)=O)C2)cn1 257262034 LJTKVJWXCYRZAX-LLVKDONJSA-N 351.432 0.642 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cnc(-c3nccn3C)cn2)C1 257269814 MRMUPBXZFAGRKB-GFCCVEGCSA-N 350.448 0.548 0 40 FCAB Cc1ccc2oc(N3CCN(CCS(=O)(=O)CC(=O)O)CC3)nc2c1 262290368 HBQWJYNLRYDCLN-UHFFFAOYSA-N 367.427 0.758 0 40 FCAB CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)c2ccn(C)c(=O)c2)n1 512270111 NPKKFRJKBVQYLS-KBPBESRZSA-N 374.420 0.588 0 40 FCAB CN1C(=O)C[C@@H](CNC(=O)c2cn3c(n2)CCCC3)[C@@H]1c1nccn1C 567766987 KRDFZVROMABRJE-BLLLJJGKSA-N 356.430 0.902 0 40 FCAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cccc2c1OCCO2 575618295 LDERETFFONGYLE-GFCCVEGCSA-N 366.381 0.904 0 40 FCAB O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cn(Cc2cccc(F)c2)nn1 616773106 MAKVKDLVXSDLKR-NUEKZKHPSA-N 356.361 0.766 0 40 FCAB CC(C)CCOc1ccc(NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)nn1 626613404 DFLKOKRRJIYLDC-CHWSQXEVSA-N 361.406 0.943 0 40 FCAB CNc1cnc(C(=O)N[C@H]2CCC[C@@H]2NC(=O)c2cnc(NC)cn2)cn1 626660506 GFMVJAIJCVKTOW-QWRGUYRKSA-N 370.417 0.431 0 40 FCAB NC(=O)[C@H]1CCCN1C1CCN(c2ccc3nnc(C(F)F)n3n2)CC1 678069572 PAFILNGFPFLALE-LLVKDONJSA-N 365.388 0.980 0 40 FCAB CCc1nc(N2C[C@H]3CN(C(=O)c4ccnn4C)C[C@@H]3C2)nc(O)c1F 1888863972 NOLWNXTZOTVVOE-GHMZBOCLSA-N 360.393 0.826 0 40 FCAB O=C(Nc1cccnc1)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 7160077 OVMOVQBYYRUSGB-DZGCQCFKSA-N 365.386 0.983 0 40 FCAB Cn1cccc1C(=O)NC(=O)COC(=O)Cn1cnc2ccccc2c1=O 7975220 TYCFXAILOQHPPP-UHFFFAOYSA-N 368.349 0.235 0 40 FCAB COC(=O)COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 52410697 OQCXJFLASQQSRB-UHFFFAOYSA-N 372.443 0.239 0 40 FCAB O=C(c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1)N1CCCC1 12030056 SSTISADVOVVASP-CQSZACIVSA-N 357.453 0.883 0 40 FCAB CC(C)NC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCC[C@H]2C(N)=O)C1 20463032 ZGQXTZVUSLQCKV-KKUMJFAQSA-N 368.478 0.857 0 40 FCAB biogenic,in-vitro O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NCc1ccccc1 47072658 OCPAEJWURKJCHY-UHFFFAOYSA-N 354.414 0.625 0 40 FCAB COC(=O)[C@]1(CCSC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 20150434 WDARWSXAQTXDTN-KZTGVZKYSA-N 352.412 0.820 0 40 FCAB C[C@H](NC(=O)CN1C(=O)CSc2ccccc21)C(=O)N1CCOCC1 58181684 VYXNBMHEBOEOCN-LBPRGKRZSA-N 363.439 0.489 0 40 FCAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1)c1ccco1 20465212 ZOKCZZMEJXWKHP-YDZRNGNQSA-N 372.421 0.557 0 40 FCAB biogenic,in-vitro O=C(c1ccc[nH]1)N1CCOC[C@@]2(CC[C@H](Cn3ncccc3=O)O2)C1 306133670 MSKRQJOYPBBCGI-RDTXWAMCSA-N 358.398 0.662 0 40 FCAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)n1nnc2ccccc2c1=O 9025594 PGXRLLURWWFTAJ-JTQLQIEISA-N 373.394 0.639 0 40 FCAB COCCN(C(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 4392149 SFHXNRRAXUPLIL-ZDUSSCGKSA-N 357.428 0.980 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)NC(C)C)c1 5672000 KMUWYGNQFZSXGD-UHFFFAOYSA-N 372.447 0.113 0 40 FCAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)c1 79048641 GOMHZUNZOMCUFK-UHFFFAOYSA-N 370.456 0.625 0 40 FCAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 408601366 GASWXFUBNYZOMC-LLVKDONJSA-N 369.443 0.086 0 40 FCAB CC(C)[C@H]1NC(=O)[C@H]2CN(C(=O)c3cc(F)c(F)cc3F)CCN2C1=O 14743956 OXXIQXNMKZDQCZ-ZIAGYGMSSA-N 369.343 0.911 0 40 FCAB O=C(C[C@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc(Cl)cc1 71282698 YANKYXITMCQUQE-CYBMUJFWSA-N 369.849 0.979 0 40 FCAB OCCN(CCO)C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2 41689958 MDEDMQVBEKRZOT-NNGLDNROSA-N 357.491 0.636 0 40 FCAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1ccc(=O)[nH]n1 238895679 QZZRARSQVNZIKW-UHFFFAOYSA-N 362.773 0.574 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)[C@H](c2ccccc2)n2cnnn2)cc1 95472846 IOAYXOKELFGQOP-HNNXBMFYSA-N 372.410 0.226 0 40 FCAB Cc1cc(C(=O)N2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)on1 96219288 VXSMGQGBXNBIMC-CYBMUJFWSA-N 357.432 0.544 0 40 FCAB CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3c[nH]c4cnccc34)[C@@H]2C1 1188932160 QJASCVHHOIWANA-SUMWQHHRSA-N 355.442 0.774 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1ccc2c(c1)OCO2 643703737 BCVVVBGCUWZDGO-HNNXBMFYSA-N 356.400 0.331 0 40 FCAB CN1CCS(=O)(=O)C[C@@H]1CC(=O)N1CC=C(c2ccnn2C)CC1 644462600 MHKXYFKSPYOGFF-AWEZNQCLSA-N 352.460 0.155 0 40 FCAB NC(=O)C1CCN(CC(=O)N2CCN(Cc3ccsc3)CC2)CC1 51200049 YEHWMKVPNSXFEA-UHFFFAOYSA-N 350.488 0.590 0 40 FCAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)Nc1ccc(-n2cnnn2)cc1 5000492 AJYYSEPBIVWQCI-OJXGSEEGSA-N 366.381 0.632 0 40 FCAB CN(C)CCNC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCCNC1 19582865 XUNQVHGZOVZDFI-RDTXWAMCSA-N 350.463 0.769 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@@H]2OCCN(CCN3CCCC3)[C@@H]2CC1 1565550555 CTNWSDFUXOTXSP-LFDJNIOPSA-N 363.502 0.666 0 40 FCAB COc1cc(C(=O)N2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)on1 1565549710 AAKOXBIYQVEULZ-GUYCJALGSA-N 362.386 0.828 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@H](NC(=O)CN(C)C(C)C)CC2 2055746391 WTQZAJDFJKSDOX-CYBMUJFWSA-N 351.451 0.031 0 40 FCAB O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N[C@H]1CCS(=O)(=O)C1 49381559 YJOFCDNAKPUOQH-LBPRGKRZSA-N 371.846 0.885 0 40 FCAB C[C@@H](C(=O)O)N1CC[C@@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 72342642 BIEUAGHTOHYQOQ-BONVTDFDSA-N 353.400 0.572 0 40 FCAB COc1nc(N(C)C)nc(N(C)Nc2nc(Cl)nc(N(C)C)n2)n1 712470 LNATVWDAVZPFHM-UHFFFAOYSA-N 354.806 0.314 0 40 FCAB CCCn1c(N)c(C(=O)COC(=O)c2c(C)noc2C)c(=O)n(C)c1=O 2651724 AAHZIIKQJCMENQ-UHFFFAOYSA-N 364.358 0.184 0 40 FCAB O=S(=O)(c1ccc(OC[C@@H](O)CN2CCCC2)cc1)N1CCOCC1 3211783 FYJTUOKFKFJZER-HNNXBMFYSA-N 370.471 0.543 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@H]2SC1 4097292 BOEGTKLJZSQCCD-FIXISWKDSA-N 363.395 0.151 0 40 FCAB in-man O=C1Nc2ccccc2/C1=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 6496324 CRMXFRDKFTUPOA-YPKPFQOOSA-N 373.390 0.904 0 40 FCAB O=C(Cn1nnc(-c2cccs2)n1)N1CCN(C(=O)c2ccco2)CC1 6607949 PGBJWEFYZGWGAL-UHFFFAOYSA-N 372.410 0.979 0 40 FCAB COc1c(C)cnc2c1c(=O)n(CC(=O)NCc1ccco1)c(=O)n2C 9571477 WRKQIJKWJKHZQS-UHFFFAOYSA-N 358.354 0.322 0 40 FCAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 9842604 YJIJTUDTYKYEPD-ZETCQYMHSA-N 366.399 0.992 0 40 FCAB CCS(=O)(=O)c1ccccc1C(=O)OCc1cc(=O)n(C)c(=O)n1C 11541321 DNJDTBYWKVLBON-UHFFFAOYSA-N 366.395 0.235 0 40 FCAB O=C1CN(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C(=O)N1 12893383 VSECIKCPBGSCOC-UHFFFAOYSA-N 360.757 0.747 0 40 FCAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1c(C(N)=O)oc2ccccc12 16847853 KNQRXZDZDCIHKT-SNVBAGLBSA-N 351.384 0.894 0 40 FCAB CCS(=O)(=O)N1CCN(Cc2cnc(N3CCCCC3)nc2)CC1 19520377 AIUSONMVVGYQEJ-UHFFFAOYSA-N 353.492 0.934 0 40 FCAB O=C(NCCCN1CCOCC1)C1CCN(c2ncnc3[nH]cnc23)CC1 20592190 IRLRRUBFOJWXOU-UHFFFAOYSA-N 373.461 0.408 0 40 FCAB CCOC(=O)C(NC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)OCC 40018268 DOVDEMQELIQTSH-UHFFFAOYSA-N 361.354 0.158 0 40 FCAB COCCN(CC(F)(F)F)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 68748830 XLESETZXPCXFQZ-CYBMUJFWSA-N 351.325 0.744 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(Sc2ncccn2)ccn1 72243471 KIEMNWVAYGOIDC-SNVBAGLBSA-N 350.425 0.940 0 40 FCAB CCOC(=O)C[C@@](C)(O)CNC(=O)c1c[nH]c(=O)c(Br)c1 96011906 XHFSHIYLXJTGAK-CYBMUJFWSA-N 361.192 0.571 0 40 FCAB O=C(NC[C@@H]1CCCO1)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96147319 RUYDBYZZRQKRLR-NSHDSACASA-N 362.411 0.573 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1ccncc1)C2 96230537 HSADKVRGXCEQJM-SFHVURJKSA-N 354.414 0.378 0 40 FCAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)cn1 97012830 XDYLMELKBMMIBW-INIZCTEOSA-N 365.411 0.954 0 40 FCAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc(-n2cnnn2)cc1 102359593 GEKGWQIAVXSGPM-GREKMHCPSA-N 364.365 0.408 0 40 FCAB CCCS(=O)(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224333780 KEYQTCZZBQUIGT-UHFFFAOYSA-N 355.464 0.175 0 40 FCAB Cc1cc(C)nc([C@H]2CN(S(=O)(=O)c3cn(C)nc3C)CCO2)n1 257300758 RVOWYOGGXASQKK-CYBMUJFWSA-N 351.432 0.898 0 40 FCAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C4OCCO4)C=C[C@H]3O2)c1 409296880 JASQUYMCGCSSSW-DEXNDLTESA-N 373.361 0.890 0 40 FCAB COCCc1noc(CC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1 528476451 RQPRIWYIKFYNQI-UHFFFAOYSA-N 369.447 0.635 0 40 FCAB Cn1cc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCOCC2)ccc1=O 585082646 YLPNFLMSLKWMDW-OAHLLOKOSA-N 363.414 0.849 0 40 FCAB CO[C@]1(CC(N)=O)COCCN(C(=O)C2(c3ccccc3F)CC2)C1 585281519 YODHLHVQNVEPNT-KRWDZBQOSA-N 350.390 0.977 0 40 FCAB CN(C)c1ccnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 770442904 HOKUTPHAGVESTB-UHFFFAOYSA-N 372.454 0.814 0 40 FCAB O=C(NC1CCCC1)c1n[nH]c2c1C[C@@H](CNC(=O)[C@H]1CCOC1)OC2 1565545112 AGGFGZXIWLQURX-AAEUAGOBSA-N 362.430 0.676 0 40 FCAB COc1cc(OC)nc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n1 2087144434 MJOKYCMUNUEQAJ-UHFFFAOYSA-N 356.448 0.887 0 40 FCAB COc1ccccc1Cn1c(NCCCO)nc2c1c(=O)n(C)c(=O)n2C 4540569 DOKGOPOJNBBYEG-UHFFFAOYSA-N 373.413 0.285 0 40 FCAB biogenic COCCn1nnnc1[C@@H](c1ccc(C)cc1)N1CCC(C(N)=O)CC1 4862200 AIBAPXVNOOLIFF-MRXNPFEDSA-N 358.446 0.915 0 40 FCAB O=C(NCc1ccccn1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 9060963 PMJRYAGJDZQWEX-UHFFFAOYSA-N 368.393 0.809 0 40 FCAB CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2=O)c1 10601337 NWRUNYLLWXAYLQ-UHFFFAOYSA-N 354.384 0.291 0 40 FCAB C[C@@H](O)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 12883673 LZBURFZSWMUWSF-ZBTLEPIDSA-N 364.423 0.985 0 40 FCAB biogenic O=C(O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13259325 VUHUGFRPYJLQIX-AAEUAGOBSA-N 360.366 0.886 0 40 FCAB Cc1cnc2c(C(=O)N3CCO[C@@H](C(=O)N4CCCCC4)C3)cnn2c1 19747234 ZVBNKVQOFHPGPM-OAHLLOKOSA-N 357.414 0.891 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 20745628 SWAJXKYOAKZWNR-LBPRGKRZSA-N 369.418 0.282 0 40 FCAB CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 22525352 TZUVBXHWGOZOLG-UHFFFAOYSA-N 353.488 0.906 0 40 FCAB Cc1cc(C)c(CNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)c(=O)[nH]1 25453498 YDJCFCMCYWJUCU-UHFFFAOYSA-N 368.393 0.974 0 40 FCAB Cc1cccc(CSCCNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 33330742 UMBIURIZHZVTSS-UHFFFAOYSA-N 369.468 0.892 0 40 FCAB NC(=O)Cc1ccccc1NC(=O)C(=O)NCCCOCc1ccco1 36393144 ZGYSDGOYVCEHEU-UHFFFAOYSA-N 359.382 0.969 0 40 FCAB Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 44456575 ONUGYGLHDYCHQJ-KBPBESRZSA-N 350.440 0.899 0 40 FCAB CC(=O)N1CC[C@H](NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)C1 84718294 MCFXSUFNGDLPQD-ZDUSSCGKSA-N 373.862 0.745 0 40 FCAB CCc1nn(C)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 91156651 UQIMAVXLMORQHA-SNVBAGLBSA-N 368.463 0.638 0 40 FCAB Cn1ccnc1CN1CC[C@@]2(COCCN(S(=O)(=O)C3CC3)C2)C1 96062382 WDJIZZJLTMEWKK-MRXNPFEDSA-N 354.476 0.437 0 40 FCAB Cn1cc(CN2CCOC[C@@]3(C2)CN(c2cccnc2)C(=O)CO3)cn1 96240155 SDEHZQJERPLDKQ-GOSISDBHSA-N 357.414 0.450 0 40 FCAB CC(C)CS(=O)(=O)N1CCN(C(=O)N(C)C)C[C@]2(CC(=O)N(C)C2)C1 96262083 PSROEIKMJPIJBQ-MRXNPFEDSA-N 374.507 0.120 0 40 FCAB O=[N+]1C(CN2CCOCC2)=C(CN2CCOCC2)N(O)[C@H]2CCCC[C@H]21 137072983 GHBJUKUERZIRHU-JKSUJKDBSA-N 367.470 0.657 0 40 FCAB CCS(=O)(=O)N1CCOC[C@@]2(CC[C@@H](Cn3nc(C)nc3C)O2)C1 253492181 OYTAMDDEBSGNLF-LSDHHAIUSA-N 358.464 0.495 0 40 FCAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)Cn3cnc(C)c(C)c3=O)C2)n1 390827687 JCEDWYRBDGBKJM-OAHLLOKOSA-N 357.414 0.947 0 40 FCAB CNC(=O)CC[C@@]1(O)CCCN(S(=O)(=O)c2cccc(OC)c2)C1 585278063 LKPDJZHOZCFTGQ-INIZCTEOSA-N 356.444 0.737 0 40 FCAB O=S1(=O)N=C(N2CCCN(CCn3nccn3)CC2)c2ccccc21 2086968381 HDQAOQFWKRPWCE-UHFFFAOYSA-N 360.443 0.435 0 40 FCAB Nn1cc(-c2ccccc2)nc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 3442858 NYSKASZAKMQNCD-GFCCVEGCSA-N 366.468 0.659 0 40 FCAB Cc1ccc(Nc2nc(N)nc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1 5392853 VQITYXMXZZEURX-GXCBOPRBSA-N 372.385 0.072 0 40 FCAB CSCC[C@@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 6908440 SHMHJTVSNICKHD-JOYOIKCWSA-N 365.411 0.573 0 40 FCAB biogenic C[C@H](C(=O)N(C)Cc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 6972408 FWLJEYVHGCFMME-GFCCVEGCSA-N 355.398 0.653 0 40 FCAB COc1cccc(NC(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1 8012013 USGPKCLMQXQVPP-JTQLQIEISA-N 357.370 0.642 0 40 FCAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C(N)=O)CC1 8193760 URQICDZFHWOJJR-CYBMUJFWSA-N 373.500 0.775 0 40 FCAB Cc1cc(C)n2nc(C(=O)OCC(=O)NC(=O)c3ccccc3)nc2n1 8282987 VHCFBCUCSWUKHD-UHFFFAOYSA-N 353.338 0.855 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)O)[C@H](C)O)cc1 8754746 FMEQRRQYIAMEQO-GXFFZTMASA-N 358.416 0.281 0 40 FCAB COc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 8853095 XHEUQHLERWYLJA-LBPRGKRZSA-N 365.411 0.799 0 40 FCAB CCN(CC)C(=O)CSc1nnc(-c2nonc2NC(C)=O)n1C 9878078 RJVXKLOVVUJKMW-UHFFFAOYSA-N 353.408 0.784 0 40 FCAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(S(C)(=O)=O)CC1 12407962 AQEUGHSWBKGWRC-UHFFFAOYSA-N 354.457 0.960 0 40 FCAB Cc1nc2ncnn2c(O)c1CCC(=O)N1CCN(c2ccccn2)CC1 13730062 WJPLJRKKAXCHCV-UHFFFAOYSA-N 367.413 0.815 0 40 FCAB CN(C)c1c(N)n(C)c(=O)n(CC(=O)Nc2ccc(Cl)cc2)c1=O 32682485 FEPSXTKEWLXUKC-UHFFFAOYSA-N 351.794 0.487 0 40 FCAB O=C(COc1ccc(N2CCCC2=O)cc1)NC[C@@H]1CCS(=O)(=O)C1 32770010 DVYPNANUGHGNNH-ZDUSSCGKSA-N 366.439 0.743 0 40 FCAB Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[nH]c(N2CCCC2)n1 36235675 RCBPPBCWFTWANA-UHFFFAOYSA-N 355.446 0.887 0 40 FCAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N[C@H]1CSC[C@@H]1O 36569327 GSEILHXZBLZUPS-DKKOHOGUSA-N 354.409 0.908 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)N3CCN(Cc4cccs4)CC3)cnc21 40033803 PZTSLEWRPPZVHO-UHFFFAOYSA-N 372.454 0.536 0 40 FCAB O=C(CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)NCC(F)(F)F 47179351 JXMVWNXUOVIXOX-UHFFFAOYSA-N 371.315 0.744 0 40 FCAB COCCn1nc(C(=O)OCN2C(=O)c3ccccc3C2=O)ccc1=O 49574638 IEZKLRKNKPRHLP-UHFFFAOYSA-N 357.322 0.300 0 40 FCAB CC(=O)N1c2ccc(S(=O)(=O)N3CCS(=O)(=O)CC3)cc2C[C@H]1C 58306346 OQYQDDNWUSWYAX-LLVKDONJSA-N 372.468 0.403 0 40 FCAB CCCCS(=O)(=O)N1CCOC[C@H]1CC(=O)NCc1ccncc1 72454484 ZKPVWTJUGXORGY-OAHLLOKOSA-N 355.460 0.919 0 40 FCAB CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1c(C)nn(C)c1C)CC2 95972909 NIRWEHNSYHBWRU-ZIAGYGMSSA-N 357.476 0.978 0 40 FCAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCCN1CCOCC1 96231392 PMEFAVKFTXOWJL-INIZCTEOSA-N 374.441 0.336 0 40 FCAB COCCN1CC[C@@H](c2nnc3ccc(C(=O)N4CCN(C)CC4)cn23)C1 96267484 RUIVYCGBUXSHQG-OAHLLOKOSA-N 372.473 0.553 0 40 FCAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)O 102806103 INHBBLAAKUFQTQ-FOGDFJRCSA-N 359.423 0.761 0 40 FCAB Cn1c(=O)oc2cc(S(=O)(=O)NCCSc3ncn[nH]3)ccc21 223029641 NAAYCTKZUBIHEE-UHFFFAOYSA-N 355.401 0.320 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2cncn21 247558808 YBSSPYHNRPSPHW-OAHLLOKOSA-N 366.418 0.697 0 40 FCAB Cn1cc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)ccc1=O 257258505 KUHKDGOUIHJQLF-INIZCTEOSA-N 355.385 0.693 0 40 FCAB CN(C)c1cccc([C@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)n1 257303147 SFZNSJUPMSWBPS-CQSZACIVSA-N 356.448 0.098 0 40 FCAB Cc1onc(N)c1S(=O)(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 330899370 VRSDEYHTFVTMLW-UHFFFAOYSA-N 370.353 0.787 0 40 FCAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)c1 409296883 JASQUYMCGCSSSW-MMMWYMCRSA-N 373.361 0.890 0 40 FCAB COCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 585095413 VNVAAAZUPDHKFW-OAHLLOKOSA-N 350.419 0.346 0 40 FCAB Cn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)c3cnccn3)C2)cn1 585112858 XGTJXDNNVCDNNJ-OAHLLOKOSA-N 366.429 0.784 0 40 FCAB CO[C@@]1(COc2ccccc2C)CCN(C(=O)CNS(C)(=O)=O)C1 585276200 KYYASCDIVJTESG-INIZCTEOSA-N 356.444 0.541 0 40 FCAB O=C(/C=C/c1ccc(F)cc1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 585288266 SNGJRBNWXWLBIT-HXCTZARSSA-N 350.390 0.104 0 40 FCAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1ccnc(N2CCOCC2)n1 585292120 YHYRHKKHRSBKAW-OAGGEKHMSA-N 352.435 0.174 0 40 FCAB Cn1cc(N2C[C@@H](C(=O)Nc3ccc(O[C@@H]4CC(=O)N4)cc3)CC2=O)cn1 627658375 ZQBYTDDMTGCAAL-MEDUHNTESA-N 369.381 0.637 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2cnn3ccccc23)CCO1 647732398 FUQWKUNHMZTAHD-HNNXBMFYSA-N 374.397 0.037 0 40 FCAB CO[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)COC3)C[C@H]1c1cnn[nH]1 657144835 UHIGZJUKHSLVHZ-DZGCQCFKSA-N 350.400 0.638 0 40 FCAB CN(C)[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@@H]1n1ccnn1 685940075 KJDFXXMJRNPZOD-CVEARBPZSA-N 352.402 0.486 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3coc4ccc(F)cc34)C2)C1 685943077 VNGKDGRMKULHRE-JTQLQIEISA-N 359.357 0.991 0 40 FCAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)CC[C@H]21 1565545418 HUNHTPLQQFXNNE-HZPDHXFCSA-N 369.897 0.790 0 40 FCAB Cc1nnc([C@H]2CN(C)C(=O)[C@H]3CCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)CC[C@H]32)o1 1565546430 AXKYWJZLLPRFTA-IAODNVIUSA-N 374.441 0.681 0 40 FCAB COCCN1C[C@H]2C(=O)N(C)C3(CCN(C(=O)C4(F)CC4)CC3)[C@@H]2C1 1565549361 QFCPRCACIBWRTG-ZIAGYGMSSA-N 353.438 0.516 0 40 FCAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc21 2442203 HEVMLAPKDYFYIR-UHFFFAOYSA-N 354.384 0.659 0 40 FCAB CC[C@@H](NC(=O)Cn1cnc2c(=O)n(C)c(=O)n(C)c21)c1ccccc1 2856283 IXGZBEOXOJZJEX-CYBMUJFWSA-N 355.398 0.701 0 40 FCAB CC[C@@H](C)[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)OC 8196315 KRACPILRQKWXJU-ZWNOBZJWSA-N 357.432 0.721 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CN2CC=C(c3ccccc3)CC2)CC1 8849633 BRGRXQMQVHWCAG-UHFFFAOYSA-N 363.483 0.880 0 40 FCAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncn[nH]1 9612845 MHIGEZVTKKUYIX-UHFFFAOYSA-N 371.444 0.794 0 40 FCAB NS(=O)(=O)c1ccc(NC(=S)N[C@@H](Cc2cnc[nH]2)C(=O)O)cc1 13835659 AVBKDDMBXOWRIO-NSHDSACASA-N 369.428 0.039 0 40 FCAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 14244431 VAKREKCSYDJFIB-YPMHNXCESA-N 355.412 0.973 0 40 FCAB CC[C@H](C)S(=O)(=O)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19500036 VOCBJBGZEHPBDI-NWDGAFQWSA-N 352.464 0.621 0 40 FCAB O=C1CC(=O)Nc2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)O)ccc2N1 20285137 LGNBGNBMFXSPRU-LLVKDONJSA-N 353.356 0.205 0 40 FCAB Cn1c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(=O)n(C)c1=O 22846446 CWVFEQOCTVXKGB-UHFFFAOYSA-N 372.425 0.131 0 40 FCAB CCCNC(=O)CN1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1 32710620 QWVXSRUJWOEMGU-UHFFFAOYSA-N 358.446 0.561 0 40 FCAB COc1ccc(C(=O)c2c(CN3CCCC3)n(C)c(=O)n(C)c2=O)cc1 35327571 CKTJSVQALGXASE-UHFFFAOYSA-N 357.410 0.919 0 40 FCAB CC(C)(CO)NC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 36365112 UJVJAKYQVDFGBP-UHFFFAOYSA-N 355.416 0.052 0 40 FCAB COCCn1nc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)ccc1=O 49574711 AADXQOCFTDMGKA-UHFFFAOYSA-N 366.324 0.536 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1F 56054168 REIODSXCDSVJQH-LLVKDONJSA-N 350.437 0.836 0 40 FCAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCC(=O)NC(=O)NC)C1=O 58226366 BUCCARZNXCXWKE-INIZCTEOSA-N 350.350 0.829 0 40 FCAB CNC(=O)c1ccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)cc1 69921578 BRLYATQCFNBLHB-UHFFFAOYSA-N 354.428 0.820 0 40 FCAB CN(C)C(=O)N1CCC2(CC1)CN(c1ncccn1)C[C@]21CCN(C)C1=O 96036388 ZZFJFSBJXPLHGY-IBGZPJMESA-N 372.473 0.909 0 40 FCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1cccnc1)C2 96230561 AELYRKVIOVDMMH-IBGZPJMESA-N 368.441 0.655 0 40 FCAB CN(C)CCCNc1c(NC[C@H](O)COCc2ccco2)c(=O)c1=O 101684889 DTGDBMZBVHGASH-LBPRGKRZSA-N 351.403 0.229 0 40 FCAB Cn1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O 223311892 WCAYATIDDFZVPC-UHFFFAOYSA-N 363.317 0.904 0 40 FCAB Cc1[nH]c2ccc(C(=O)N3C[C@@H](O)[C@H](NS(C)(=O)=O)C3)cc2c1C 257237874 HIPMYFCOSJRGOD-HUUCEWRRSA-N 351.428 0.519 0 40 FCAB CO[C@@]1(CC(N)=O)COCCN(C(=O)C2(c3ccccc3F)CC2)C1 585281520 YODHLHVQNVEPNT-QGZVFWFLSA-N 350.390 0.977 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888890994 OOHBFSADWMLMID-LLVKDONJSA-N 366.447 0.509 0 40 FCAB CCc1cc(C(=O)N2CCO[C@]3(COCC(=O)N(C(C)C)C3)C2)no1 2037985139 YQEYNDUIZNBRRF-QGZVFWFLSA-N 351.403 0.715 0 40 FCAB CCn1cnc2c(N3C[C@H]4CN(C(=O)[C@@H]5CCOC5)C[C@H]4C3)ncnc21 2086968341 MSOQGQUHTNKBKR-MCIONIFRSA-N 356.430 0.777 0 40 FCAB NS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCOCC2)ccc1Cl 2653570 VYISVXINNJUROP-UHFFFAOYSA-N 362.791 0.003 0 40 FCAB COc1ccc(N2C[C@H](NC(=O)N3CCC(O)CC3)CC2=O)cc1OC 4374559 YIIKQBCMWQDELE-GFCCVEGCSA-N 363.414 0.975 0 40 FCAB COc1ccccc1O[C@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O 4559893 BUZDTRJMALZTAY-XAJHFOFHSA-N 367.398 0.816 0 40 FCAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)c1ccc[nH]1 6936392 OXZBIKRRRZSLQZ-UHFFFAOYSA-N 361.379 0.869 0 40 FCAB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)c1nc(N)nc(N(C)C)n1 14124318 WYQFGPOBRRDARM-VIFPVBQESA-N 365.415 0.841 0 40 FCAB COCCN1CC[C@@H](CNS(=O)(=O)c2cnn(C(F)F)c2C)C1 19553104 KEQUDUXXFSMRGZ-NSHDSACASA-N 352.407 0.833 0 40 FCAB Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 23142119 BLYCMXJZDQVLEC-SNVBAGLBSA-N 372.381 0.673 0 40 FCAB NC(=O)Nc1cccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 25383620 VAGYMOILHIRKTL-UHFFFAOYSA-N 373.457 0.948 0 40 FCAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC2CC2)cc1C 28209739 JXWGGGQKTBATFF-ZDUSSCGKSA-N 352.412 0.962 0 40 FCAB COC(=O)CNC(=O)[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C 30692829 JUSVQFVBVVINOZ-HNNXBMFYSA-N 352.387 0.747 0 40 FCAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(S(C)(=O)=O)CC3)c2c1 32072643 VGLDTPYRBTXAOV-HNNXBMFYSA-N 367.427 0.879 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)cnc21 40033642 VLMFWTRQIDVGIN-HNNXBMFYSA-N 366.425 0.521 0 40 FCAB COc1ccc(-c2ccc(=O)n(CC(=O)N3CCNC3=O)n2)cc1OC 40286453 GBUWBNKPLAFSNB-UHFFFAOYSA-N 358.354 0.479 0 40 FCAB COc1cc(N2C[C@@H]3COC[C@]3(CNC(=O)c3cccn3C)C2)ncn1 96108442 MLSUDQCPNKIQGD-ACJLOTCBSA-N 357.414 0.707 0 40 FCAB COCC(=O)N1CCC2(CC1)O[C@H](C(=O)NCC(C)C)Cn1ccnc12 96144757 YXSUYKOPSUDDKL-AWEZNQCLSA-N 364.446 0.518 0 40 FCAB C[C@H](C(=O)NCCN1CCOCC1)N(c1ccccc1F)S(C)(=O)=O 220311378 KWBMWEZMEMDGKZ-CYBMUJFWSA-N 373.450 0.429 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccncn1)CC2 247916067 ZNLCDBKDPCGUSP-ZDUSSCGKSA-N 368.459 0.237 0 40 FCAB O=S(=O)(N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O)c1cccnc1 257319936 VUQYNVVSHPHNOD-BZUAXINKSA-N 355.460 0.364 0 40 FCAB Cn1cnc(S(=O)(=O)N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)c1 306127933 GLAHQWJCJDCGOQ-LBPRGKRZSA-N 365.415 0.211 0 40 FCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2ncccn2)CCO1 585282926 JWOCCKCJHBVSGL-GOSISDBHSA-N 374.372 0.781 0 40 FCAB COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC3(CC1)NC(=O)NC3=O)C2 622558456 NHBANSOBBOLRIA-LBPRGKRZSA-N 359.382 0.447 0 40 FCAB Cn1cnc2ncnc(N3C[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4C3)c21 1888909633 RHGNWXZIPTXJKG-KBPBESRZSA-N 362.393 0.985 0 40 FCAB COC(=O)C1=NN[C@]2(C)C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 4664442 FDSAAQCNOZPNJZ-XPTSAGLGSA-N 366.171 0.829 0 40 FCAB CCOCCn1c(CN2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C 4930401 SFZFXHVSTLGRON-CYBMUJFWSA-N 363.462 0.845 0 40 FCAB CC(C)N1C(=O)C(=O)N(CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)C1=O 6436208 XROVOQOTEOEYHN-GHMZBOCLSA-N 352.391 0.590 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc2c(c1)CCC2 7988929 VHDPHBBRPPFJIJ-MRXNPFEDSA-N 364.467 0.941 0 40 FCAB Cc1cc(NC(=O)C(=O)NCc2ccco2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9038893 BHJTXDCYDAHJDM-UHFFFAOYSA-N 370.369 0.729 0 40 FCAB Cc1ccccc1CCNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 9366883 UUMTUXRTJKKELJ-UHFFFAOYSA-N 355.398 0.101 0 40 FCAB O=C(c1cn(C[C@H]2CCCN(C(=O)c3ccco3)C2)nn1)N1CCOCC1 12183838 JLAUWWXVPPWWJI-AWEZNQCLSA-N 373.413 0.896 0 40 FCAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 23864745 YRGZCGBCJBEVIW-SECBINFHSA-N 360.370 0.121 0 40 FCAB COCc1cc(=O)n(CC(=O)NC2CCCC2)c(N2CCOCC2)n1 67219792 ZCDDJUUEXMCTEV-UHFFFAOYSA-N 350.419 0.285 0 40 FCAB CC(=O)Nc1nnc(S(=O)(=O)N2CC(=O)Nc3ccccc32)s1 74584807 SPLFUYQAMHEPAP-UHFFFAOYSA-N 353.385 0.644 0 40 FCAB COC(=O)N1CC[C@H](NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)C1 76041810 PPSAGWMXPAELPU-LBPRGKRZSA-N 366.418 0.588 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C(=O)O 95969633 RRWONQIPIBQMEK-ZYHUDNBSSA-N 372.447 0.169 0 40 FCAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)C3CCOCC3)CC2)O1 96062630 IDAWTIGIROWVFO-CQSZACIVSA-N 362.430 0.272 0 40 FCAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1ccncn1)C2 96077248 JEQJHBKZKAOWSL-GOSISDBHSA-N 352.398 0.716 0 40 FCAB CCOC(=O)N1CCN(C(=O)CCc2nnc3ccccn3c2=O)CC1 96230953 GTZOQSGFQGBGBA-UHFFFAOYSA-N 359.386 0.323 0 40 FCAB Cc1cccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)c1C 222659783 ILWSWGAVOPRYOJ-UHFFFAOYSA-N 359.382 0.673 0 40 FCAB CN(C)CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3cccs3)C[C@H]1C2 306127962 GMELAXYYKPSLJB-KGLIPLIRSA-N 374.514 0.935 0 40 FCAB Cn1nc(C(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)ccc1=O 329748176 STNRTAYKQOVEOM-UHFFFAOYSA-N 374.445 0.809 0 40 FCAB O=S(=O)(N1CCOCC1)N1CCN(c2ccc(C3CC3)nn2)CC1 575619138 HOGFUIADMWSHSF-UHFFFAOYSA-N 353.448 0.053 0 40 FCAB Cc1cncnc1N1CCN(C(=O)[C@H](C)n2nc3c(cc2=O)CCC3)CC1 585150634 ZVESZVRHLWVJPV-AWEZNQCLSA-N 368.441 0.740 0 40 FCAB COc1cccc([C@H](C(=O)O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 634693438 XRERLBABRJCGQS-CQSZACIVSA-N 357.432 0.245 0 40 FCAB Cc1cc(NC(=O)CN2CCN(C(=O)[C@]3(C(=O)O)CC3(C)C)CC2)no1 663112509 KLNUHVBKAIYOJZ-KRWDZBQOSA-N 364.402 0.567 0 40 FCAB CN(C)[C@@H]1CN(C(=O)c2cccc(-n3ccnc3)n2)C[C@@H]1n1ccnn1 685940082 MBDPWJWLKGFAJP-CABCVRRESA-N 352.402 0.486 0 40 FCAB O=C(Nc1ccccc1)C1=NO[C@]2(CCCN(C(=O)[C@H]3NCC[C@@H]3O)C2)C1 1565554581 BVPWGZKRCIKDAN-TXPKVOOTSA-N 372.425 0.485 0 40 FCAB COCc1nsc(N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)n1 1888903852 AIJZTIDJPRRODB-GHMZBOCLSA-N 372.458 0.934 0 40 FCAB Cn1nc(C(=O)N2CC(Cn3cc(Br)cn3)C2)ccc1=O 1889125078 BZRBTYWNRFOKGR-UHFFFAOYSA-N 352.192 0.512 0 40 FCAB O=C(CC1(O)CCC1)N1CC[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 2056214978 HQHKSVLQYFLEJJ-GJZGRUSLSA-N 360.414 0.224 0 40 FCAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1C 863224 DBWPKHGSLWRQHY-LBPRGKRZSA-N 373.413 0.603 0 40 FCAB CCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 1238732 RPKKOHOQFPYWFA-VIFPVBQESA-N 363.757 0.974 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2cccs2)cc1 3448881 MDCTVBQOFBBHNC-UHFFFAOYSA-N 367.452 0.484 0 40 FCAB NC(=O)CC[C@H](NC(=O)CNC(=O)Nc1cccc2ccccc12)C(=O)O 5949125 RSQMVYBQMPLXHG-AWEZNQCLSA-N 372.381 0.796 0 40 FCAB CC(C)(C)NC(=O)CNC(=O)c1ccc(CCNS(C)(=O)=O)s1 8938861 SVCJEJYTYDLJAD-UHFFFAOYSA-N 361.489 0.484 0 40 FCAB CC(C)(CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCOCC1 14135039 KKIHEUWIVXYRSH-UHFFFAOYSA-N 356.448 0.566 0 40 FCAB CC(=O)N1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCOCC3)n2)C1 19450134 NBBPYTAOLHNGTF-GJZGRUSLSA-N 361.446 0.400 0 40 FCAB COCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 19797222 WEJMUQGOGZMUOG-STQMWFEESA-N 367.876 0.515 0 40 FCAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NC1CCCC1 32106078 NGSCMJUEDNKPFL-HNNXBMFYSA-N 365.455 0.625 0 40 FCAB O=C(CNC(=O)Cc1ccccc1)NCCS(=O)(=O)c1ccccc1 47386162 KMAWDRVCULPSMN-UHFFFAOYSA-N 360.435 0.935 0 40 FCAB CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(S(C)(=O)=O)CC2)O1 96263077 XUDJYRDCSKFLCK-CYBMUJFWSA-N 370.475 0.305 0 40 FCAB O=C(Cc1cccs1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238956054 XYVOJGBKIYTUTN-UHFFFAOYSA-N 354.457 0.937 0 40 FCAB C[C@@]1(C(=O)NCCO)CCCN1Cc1cccc(CN2CCOCC2)c1 257340574 ZGSVKXDHMVWPEF-FQEVSTJZSA-N 361.486 0.982 0 40 FCAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCCCO 290102639 IUZBRUPXAAUSON-UHFFFAOYSA-N 351.222 0.226 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1C(=O)Cc1ccco1 585097022 GPOWDRFLPCVSND-LBPRGKRZSA-N 352.416 0.369 0 40 FCAB O=C(Nc1ccn([C@H]2CCNC2)n1)c1ccc(C(=O)N2CCOCC2)cc1 638184605 YUEJSSBZWBAGNC-INIZCTEOSA-N 369.425 1.142 0 40 FCAB NC(=O)c1cnn2c(C(=O)NC3CCN(CC(F)F)CC3)ccnc12 677876243 SDTSMQAOXKEVHA-UHFFFAOYSA-N 352.345 0.288 0 40 FCAB O=C(c1cnco1)N1CCN2C(=O)OC3(CN(c4ccc(F)cn4)C3)[C@H]2C1 1549160289 COQKJKNIBYZTQJ-CYBMUJFWSA-N 373.344 0.744 0 40 FCAB Cn1cnc(C(=O)N2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)n1 1615065814 QFOXLOBDFOCYNI-SFHVURJKSA-N 354.414 0.865 0 40 FCAB Cc1nnc2ccc(N3CCCN(S(=O)(=O)N4CCCC4)CC3)nn12 1775985962 LDWSCOOJMJKPMJ-UHFFFAOYSA-N 365.463 0.285 0 40 FCAB CC(=O)[C@H](C)n1c(CN2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C 808462 MQKAQMACPRDHFY-NEPJUHHUSA-N 361.446 0.958 0 40 FCAB CCOC(=O)[C@H]1C(=O)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1 4992857 WUTCWCVITCRHRV-WCQYABFASA-N 357.366 0.347 0 40 FCAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 5055884 XCXLOMQWHXDNIJ-UHFFFAOYSA-N 367.383 0.062 0 40 FCAB CCOC(=O)C1=C(COc2ccc(Cl)cc2C(N)=O)NC(=O)NC1 11115084 ZNPNYQSZRYGVLL-UHFFFAOYSA-N 353.762 0.948 0 40 FCAB COC(=O)CC[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)OC 14163197 KTXNPCFKIIZHIH-GFCCVEGCSA-N 361.354 0.158 0 40 FCAB COc1ccc(C(=O)NCC(=O)NCc2nnc3ccccn23)cc1OC 19603744 HGATZUSZNRCJGJ-UHFFFAOYSA-N 369.381 0.793 0 40 FCAB CN(C)c1cccc(OCC(=O)N2Cc3cn(C)nc3[C@H](C(N)=O)C2)c1 19701191 XKRJBBQOYUJTPK-OAHLLOKOSA-N 357.414 0.476 0 40 FCAB NC(=O)CCN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 22056447 JFPYGJHSGFZELM-UHFFFAOYSA-N 365.377 0.887 0 40 FCAB O=c1oc2ccccc2n1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 22913299 TZJQCWYQYAUENZ-ZDUSSCGKSA-N 351.428 0.357 0 40 FCAB COc1ccc(C)cc1CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 22916078 CYTLPLUEMQCZQM-CVEARBPZSA-N 354.472 0.279 0 40 FCAB CS(=O)(=O)N1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 24924552 ATNNTYJEYZZGFA-UHFFFAOYSA-N 370.862 0.815 0 40 FCAB CN(CC(=O)/N=c1/sc2cc3c(cc2n1C)OCCO3)S(C)(=O)=O 36634197 BCOSSBSVDYZNTL-CCEZHUSRSA-N 371.440 0.330 0 40 FCAB CCNC(=O)[C@H](C)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 57745776 BFPIEUQLYHXXPF-NSHDSACASA-N 361.423 0.989 0 40 FCAB O=S(=O)(NCCN1CCCS1(=O)=O)c1cccc(Cl)c1F 60924833 SUOSOQBBSAFDCS-UHFFFAOYSA-N 356.828 0.793 0 40 FCAB COC[C@@H](O)CN1CCC(NC(=O)Nc2cnn(CC(F)F)c2)CC1 89871627 MFBDHTIJHFJFOD-ZDUSSCGKSA-N 361.393 0.741 0 40 FCAB CCS(=O)(=O)N1CC[C@@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 96225933 FXIOXPLAKWHFLR-MRXNPFEDSA-N 366.443 0.611 0 40 FCAB CN1CCN(Cc2cccnc2)[C@@]2(CCN(c3ncc(F)cn3)C2)C1=O 96229613 UVKXVFPTTYTQQI-GOSISDBHSA-N 356.405 0.934 0 40 FCAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccc(C)nc3)CC2)O1 96243549 ADJBPFLTMHERFX-OAHLLOKOSA-N 369.425 0.863 0 40 FCAB Cc1cccc(S(=O)(=O)N2C[C@@H]3OCCN(CC(=O)N(C)C)[C@@H]3C2)c1 96248695 VDMFYGYPDOKGLB-CVEARBPZSA-N 367.471 0.157 0 40 FCAB COCCO[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN2C1 107197687 SJQLOVGKMXLMEG-LSDHHAIUSA-N 358.435 0.936 0 40 FCAB CCN1CCN(C(=O)NCCn2cc(-c3ccncc3)cn2)C(=O)C1=O 575613013 SGWFTWUEARFVQQ-UHFFFAOYSA-N 356.386 0.345 0 40 FCAB CCN(Cc1nnc(C)o1)[C@H]1CN(C(=O)c2scnc2C)C[C@H]1O 583621737 DWJNEIANORYBFF-NWDGAFQWSA-N 351.432 0.850 0 40 FCAB COc1ccc(S(=O)(=O)N2Cc3ncn(C)c3C[C@@H]2CO)cc1F 585094862 QTBGHYNAFIBVSI-SNVBAGLBSA-N 355.391 0.676 0 40 FCAB CCOC(=O)[C@]12CCCN(C(=O)Cc3nc(C)no3)C[C@H]1CN(C)C2 585108138 AIXQMHLEMOYPPS-DYVFJYSZSA-N 350.419 0.654 0 40 FCAB Cc1ccccc1C[C@]1(CO)CN(C(=O)Cn2cccnc2=O)CCO1 585278169 REFQWBVDEMTDRJ-LJQANCHMSA-N 357.410 0.384 0 40 FCAB CO[C@H]1CN(C(=O)CNS(C)(=O)=O)CC[C@@H]1Cc1cccc(C)c1 585279876 RUNLAWXZSLIHPH-CVEARBPZSA-N 354.472 0.950 0 40 FCAB CN(c1cc(=O)n(C)c(O)n1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 585593293 PUUHTNIQNNRPMO-UHFFFAOYSA-N 368.401 0.126 0 40 FCAB CCC(CC)NC[C@@]1(O)CN(S(=O)(=O)c2ccccc2)CC[C@@H]1O 643550429 HOMDRWOXOKSQFK-DLBZAZTESA-N 356.488 0.951 0 40 FCAB CN(C)C(=O)NCc1cc(=O)n2c(n1)CN(C(=O)C1(F)CCC1)CC2 1565555080 QQFGHLHSGWILNM-UHFFFAOYSA-N 351.382 0.249 0 40 FCAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)nn1C 1888899253 YJVISTIVIUUYGI-STQMWFEESA-N 352.402 0.375 0 40 FCAB Cc1cn2nc(C(=O)N3CCN(c4ccc5nncn5n4)CC3)ccc2n1 1889006672 IGOQRERZZCVJBO-UHFFFAOYSA-N 363.385 0.438 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nn2cnnc2)cc1 804439 CRQUHORTLCPXOF-ZDUSSCGKSA-N 351.388 0.210 0 40 FCAB COCCn1c(CN2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4384195 ULDQRFGQGNQPTH-STQMWFEESA-N 363.462 0.558 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1OC 4815319 MZHMOAAIDUYBBV-NSHDSACASA-N 358.416 0.229 0 40 FCAB CCNC(=O)[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1cccs1)C(C)C 8328486 PDJSRVDJSIELEK-PWSUYJOCSA-N 361.489 0.692 0 40 FCAB Cc1cc(C)cc(N([C@@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1 10284235 SSAINCGFOOFHEA-HNNXBMFYSA-N 367.471 0.759 0 40 FCAB CC(=O)Nc1ccc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 12803551 UGMZYXUUZXTOBU-UHFFFAOYSA-N 362.411 0.600 0 40 FCAB Cn1cc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)c(=O)n(C)c1=O 14233553 YILVEUAIUSATLT-UHFFFAOYSA-N 367.402 0.576 0 40 FCAB COCCCN(C(=O)[C@H]1CCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14250518 ALZUPJMPXRRQDU-GFCCVEGCSA-N 368.434 0.323 0 40 FCAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NC[C@H]2CCCO2)c1 16187757 OUZAWESIMZUWIH-CYBMUJFWSA-N 372.443 0.620 0 40 FCAB CC[C@H](NC(=O)CCN1C(=O)N[C@H]2NC(=O)N[C@H]21)c1ccc(OC)cc1 19500476 KJWIKQLFPRBDOG-CFVMTHIKSA-N 361.402 0.643 0 40 FCAB Cc1ccn(CCNC(=O)c2cccn(CC(=O)N3CCCC3)c2=O)n1 19751474 NHKBVMJUPXUPET-UHFFFAOYSA-N 357.414 0.406 0 40 FCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1cccc(C)c1 20801521 DYUHJOYMCBUMHL-HZPDHXFCSA-N 372.425 0.475 0 40 FCAB CN(CC(=O)OCC(=O)N1CCN(c2ccccn2)CC1)c1ncccn1 23173303 GQZBHCDXKPAXGO-UHFFFAOYSA-N 370.413 0.200 0 40 FCAB CN1CC(=O)N(CC(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)C1=O 24418394 JIFQGEAIFQDUCE-UHFFFAOYSA-N 364.745 0.285 0 40 FCAB C[C@H](NC(=O)CCN1CCN(S(=O)(=O)N(C)C)CC1)c1ccccc1 26169633 SJRVSQGRVVBOGC-HNNXBMFYSA-N 368.503 0.678 0 40 FCAB Cn1ccc(/C=C2\SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)c1 35648639 AYVHBPWULXZMSD-LKJZUNMESA-N 353.425 0.945 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)NCCC(=O)N1C[C@H](C)O[C@@H](C)C1 53668164 VSXDRUXCFLLXDG-QWRGUYRKSA-N 358.464 0.341 0 40 FCAB C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1 83966547 AXTRLURRTCGYHP-LBPRGKRZSA-N 365.865 0.958 0 40 FCAB CN(CCNS(C)(=O)=O)C(=O)c1ccc(OCc2nccn2C)cc1 95959157 LGXZFQPMNLGEAH-UHFFFAOYSA-N 366.443 0.620 0 40 FCAB COCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)C)CN(C)C(=O)C1 96113275 HWUBSUNDXRYOLI-ZIAGYGMSSA-N 355.479 0.929 0 40 FCAB biogenic,in-vitro COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(=O)n(C)n3)C2)cc1 96121886 CSEFRBXJVBKNOF-UHFFFAOYSA-N 363.395 0.087 0 40 FCAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)Cn2[nH]c(=O)ccc2=O)C1 102453848 IXVMBMQFBSHRBZ-KPZWWZAWSA-N 363.414 0.507 0 40 FCAB O=C(NCCN1CCN(c2ncccn2)CC1)N1CCN2CCCC[C@@H]2C1 105162882 RTKGEILPFZPYME-QGZVFWFLSA-N 373.505 0.478 0 40 FCAB CS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1ccc2c(c1)OCO2 113943295 QKVOKDQRCSARID-UHFFFAOYSA-N 370.427 0.820 0 40 FCAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC3CCC3)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1 225518638 AKMBESJYOXQBRH-HGYYMRRCSA-N 360.401 0.672 0 40 FCAB biogenic,in-vitro CN(C)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 244330331 XNPHNBMJNHXLCA-CYBMUJFWSA-N 364.464 0.565 0 40 FCAB Cc1cccc(C(=O)N[C@H]2CCOC[C@@]23CC(C(=O)NC(C)C)=NO3)n1 306128364 GYNJELLXXYRORJ-YJBOKZPZSA-N 360.414 0.948 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)CN1C 575404269 MNRYBNKVRKMTCX-LZUXJJCOSA-N 361.486 0.860 0 40 FCAB O=C(Cn1nc(C2CC2)ccc1=O)N1CCN(Cc2ccccn2)CC1 575620276 PFAYJJQTPPDMGW-UHFFFAOYSA-N 353.426 0.860 0 40 FCAB CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCC[C@H]2CCCO2)cn1 583622125 QSFYCTLSLXZUQB-CABCVRRESA-N 370.475 0.953 0 40 FCAB COc1ccccc1CN1Cc2ccnn2[C@@H](CNS(C)(=O)=O)C1 585111911 IYNWNQCFGVIOAV-HNNXBMFYSA-N 350.444 0.998 0 40 FCAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1O 585280261 LFEYNICUERXCRM-QRVBRYPASA-N 359.470 0.949 0 40 FCAB O=c1ccc(-n2cncn2)nn1CC1CCN(c2ncncc2F)CC1 585500351 GMSHYSYGUFSFPB-UHFFFAOYSA-N 356.365 0.670 0 40 FCAB O=C(O)[C@@H]1Cn2cnnc2CN1C(=O)Cc1ccc(OC(F)F)cc1 643854628 GQGSTUGWWMYFHJ-NSHDSACASA-N 352.297 0.918 0 40 FCAB O=C(CN1CCCC[C@H](O)C1=O)N1CCCN(CC(F)(F)F)CC1 644327044 DEDNXGAIPVNQJY-LBPRGKRZSA-N 351.369 0.456 0 40 FCAB CC(C)c1nc([C@H]2CN(c3cc(=O)n(C)c(=O)n3C)C[C@@H]2C2CC2)n[nH]1 685941109 RLFSCPMSJUORIE-OLZOCXBDSA-N 358.446 0.956 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)CC[C@H]21 1565555125 SSWAQFXGFKMMQZ-ZIAGYGMSSA-N 369.443 0.817 0 40 FCAB Cc1nnc(N2CCOC[C@@]3(CCCN(C(=O)[C@@H]4CCOC4)C3)C2)o1 1565555425 ACRMTTNICVFOHF-RHSMWYFYSA-N 350.419 0.860 0 40 FCAB Cc1cc(C(=O)N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)nn1C 1888899252 YJVISTIVIUUYGI-CHWSQXEVSA-N 352.402 0.375 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccncn2)CC1 2055782278 ZJJDTEHMCBASNM-UHFFFAOYSA-N 358.402 0.067 0 40 FCAB CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1 2953445 IYWBGMVYWJCUIW-UHFFFAOYSA-N 360.476 0.850 0 40 FCAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)NCC(=O)OCC)n12 4250206 WZXINMNFFGRNIE-UHFFFAOYSA-N 353.404 0.142 0 40 FCAB CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCO2 5006364 GYNQFLDWCAEANZ-LBPRGKRZSA-N 356.400 0.477 0 40 FCAB CCCNC(=O)CN(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8942973 HVUHRKFSVJQWQP-UHFFFAOYSA-N 359.430 0.520 0 40 FCAB CC(=O)N[C@@H]1[C@@H](Oc2ccc(Cl)cc2Cl)O[C@H](CO)[C@H](O)[C@@H]1O 12378537 UHQRLFPKGHQKEN-HTOAHKCRSA-N 366.197 0.316 0 40 FCAB NC(=O)CCc1nn(CN2CCOCC2)c(=S)n1C[C@H]1CCCO1 12808629 YSJMBODTVWMCMV-GFCCVEGCSA-N 355.464 0.301 0 40 FCAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCO)cc1Cl 16692522 FHJPXAYZMILPOT-UHFFFAOYSA-N 350.824 0.468 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)c2cccs2)C1 32759843 HXGVBWKRTIKSTQ-VXGBXAGGSA-N 356.469 0.904 0 40 FCAB CC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H]3CCOC3=O)CC2)cc1 37187872 MUXSPLSFJJLNSJ-OAHLLOKOSA-N 352.412 0.511 0 40 FCAB CN1N=C(C(=O)Nc2ccc(-n3ncc4c(=O)[nH]cnc43)cc2)CCC1=O 40087184 HPJGSXFVMAYJAD-UHFFFAOYSA-N 365.353 0.656 0 40 FCAB CCCS(=O)(=O)N1CCC(NC(=O)Cc2c(C)nn(C)c2C)CC1 40094731 VUOAOZILVVKIDF-UHFFFAOYSA-N 356.492 0.900 0 40 FCAB Cc1cc(C)n2cc(CN3CCN(CC(=O)N4CCOCC4)CC3)nc2n1 58132677 GCDQBDGXXATNCM-UHFFFAOYSA-N 372.473 0.323 0 40 FCAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](CO)OC[C@@H]2C)c1 89941305 DXPADYWMRJMCBY-GXSJLCMTSA-N 363.819 0.897 0 40 FCAB CCOC(=O)C[C@](C)(O)CNC(=O)c1c[nH]c(=O)c(Br)c1 96011905 XHFSHIYLXJTGAK-ZDUSSCGKSA-N 361.192 0.571 0 40 FCAB COCC(=O)N1CCO[C@@]2(COCCN(Cc3csc(C)n3)C2)C1 96076847 MOSKWJOUCXKBSH-MRXNPFEDSA-N 355.460 0.528 0 40 FCAB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1COCCN1 152413703 MNMFCUDBMMBDNB-GXTWGEPZSA-N 362.348 0.892 0 40 FCAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC3CCCC3)[C@@H](O)[C@H]2O1)N1CCOCC1 225514569 STPSLEBTHAYCTG-GRLWTPEZSA-N 354.447 0.053 0 40 FCAB biogenic,in-vitro O=S(=O)(c1ccc(F)c(-c2nnn[nH]2)c1)N1CC[C@H](n2nccn2)C1 238819220 CFINXAZIAKPPEV-VIFPVBQESA-N 364.366 0.233 0 40 FCAB COc1ccc2c(c1)cc(C(=O)N1CCN(C(C)=O)[C@H](C(N)=O)C1)n2C 257211552 BZICUSPUQKUTMY-INIZCTEOSA-N 358.398 0.345 0 40 FCAB OCCCOc1ccc(CNC[C@@]2(O)CCN(c3cnccn3)C2)cc1 257307535 SZDBLWWUWONVAL-IBGZPJMESA-N 358.442 0.969 0 40 FCAB CCn1ncnc1CNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 527529941 XIEQJSOCRNSQRN-GFCCVEGCSA-N 356.452 0.008 0 40 FCAB O=C(Cn1ccccc1=O)N1CCOC[C@](O)(COc2ccccc2)C1 585278302 RORDHXIPVWAXAU-IBGZPJMESA-N 358.394 0.517 0 40 FCAB CC(C)CCNC[C@]1(O)CN(S(=O)(=O)c2ccccc2)CC[C@H]1O 585289856 LEPNNPVTVGOHDH-SJORKVTESA-N 356.488 0.809 0 40 FCAB COc1ccc(COCCNC(=O)CN2CCCC[C@@H](O)C2=O)cc1 644418753 VQTTVCIXHIESQX-MRXNPFEDSA-N 350.415 0.701 0 40 FCAB O=C(CN1CCN(C(=O)C2(C(=O)O)CC=CC2)CC1)NCc1ccccc1 663108894 IHUSYPGCUOBJQE-UHFFFAOYSA-N 371.437 0.868 0 40 FCAB Cn1nnc2c1[C@@H](COCCN1CCCC1)CN(C(=O)c1cc[nH]n1)C2 1565542774 QLUZLADKCYYOIJ-CYBMUJFWSA-N 359.434 0.390 0 40 FCAB CCc1ccc(C(=O)N2CCC[C@]3(COCCN(CC(=O)NC)C3)C2)cn1 2055815405 IRJKGGZFCATVRS-HXUWFJFHSA-N 374.485 0.945 0 40 FCAB CC(C)CC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243208 RPXHWTVUPPQBPM-ZDUSSCGKSA-N 359.423 0.463 0 40 FCAB CC(C)(CO)[C@@H](O)C(=O)NCCS(=O)(=O)Nc1ccc(Cl)cc1 2045848 AUAVIXFKKAEUEX-LBPRGKRZSA-N 364.851 0.577 0 40 FCAB Cc1cnc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cn1 3215888 GTCFTMNUYCTTNL-UHFFFAOYSA-N 358.354 0.519 0 40 FCAB O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3557143 XOLRLGGCWPPQHS-UHFFFAOYSA-N 352.412 0.701 0 40 FCAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)Nc1ccc(-n2cnnn2)cc1 5000491 AJYYSEPBIVWQCI-CJXOWJITSA-N 366.381 0.632 0 40 FCAB CC(C)CN(C(=O)CSc1nc(N)cc(N)n1)[C@@H]1CCS(=O)(=O)C1 7784255 XPOFQJAUFZWGKI-SNVBAGLBSA-N 373.504 0.405 0 40 FCAB CNS(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 8087952 PTCUAHCLNCRVHN-UHFFFAOYSA-N 372.406 0.943 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)C2CCN([C@H]3CCOC3=O)CC2)cc1 14074638 KYIUMTODKOMLFN-AWEZNQCLSA-N 367.427 0.300 0 40 FCAB CCOC(=O)C[C@H]1C(=O)NCCN1Cc1cn(CC(N)=O)c2ccccc12 36743637 GZTOEBGDVGAPNG-INIZCTEOSA-N 372.425 0.380 0 40 FCAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N(C)CC(=O)NC(C)C 40120119 OCPDXSLMIPYTAC-OAHLLOKOSA-N 362.409 0.887 0 40 FCAB CCS(=O)(=O)N(C)CCCNC(=O)CNC(=O)c1cc(C)cc(C)c1 43094760 BKNHBVKPQVKHPO-UHFFFAOYSA-N 369.487 0.821 0 40 FCAB O=C(NCc1ccc(-n2cncn2)nc1)c1cccnc1N1CCOCC1 48236817 RKLHRRKWWVSGPO-UHFFFAOYSA-N 365.397 0.824 0 40 FCAB Cc1ccc(C(=O)NCC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1 48340793 HPPMTOOTPXITAN-UHFFFAOYSA-N 367.471 0.607 0 40 FCAB O=C(CCn1ccc(=O)[nH]c1=O)N1CC(c2nc(-c3cccs3)no2)C1 49483986 UBJWWLWRXNWDHE-UHFFFAOYSA-N 373.394 0.664 0 40 FCAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(CC(=O)OC)CC1 72341215 UYWWYHZPJHIKSJ-UHFFFAOYSA-N 359.426 0.959 0 40 FCAB O=C(CN1CCC[C@@H](c2nccnc2-n2ccnc2)C1)N1CCOCC1 72350548 FWCMEIZRYUOGNA-OAHLLOKOSA-N 356.430 0.701 0 40 FCAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCc1nnc2ccccn12 85879732 ICTZWBKWHQVOPT-CYBMUJFWSA-N 364.365 0.486 0 40 FCAB biogenic CN(C)C(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)cn1C 95460027 FPOLWKXFSSNQEK-CYBMUJFWSA-N 365.459 0.777 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95476811 MNVDTNIHXCKMST-QWRGUYRKSA-N 362.411 0.219 0 40 FCAB CCS(=O)(=O)N1CCn2c(CNC(=O)c3cccn3C)cnc2C1 96061969 QBEJRGAUVIQYAT-UHFFFAOYSA-N 351.432 0.317 0 40 FCAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCN(C)C 222580037 ZOLFNHBJLAIVDK-UHFFFAOYSA-N 357.476 0.556 0 40 FCAB CS(=O)(=O)N1Cc2ccnn2[C@@H](CCOCC(=O)N2CCCC2)C1 247533788 PTNUECSGCXKUAD-AWEZNQCLSA-N 356.448 0.229 0 40 FCAB Cc1nc[nH]c1CN1CCOC[C@](O)(CNC(=O)c2cscn2)C1 257304826 SNHOJEPGBYFHOM-HNNXBMFYSA-N 351.432 0.168 0 40 FCAB Cc1cn([C@@H]2CN(C(=O)c3cncs3)CC[C@@]2(C)O)c(O)nc1=O 257333144 YAIGFTIDLRRFFU-IAQYHMDHSA-N 350.400 0.552 0 40 FCAB COCC(=O)NCC[C@@H]1CN(Cc2cc(C)nn2C)Cc2ccnn2C1 306141790 WGOCOJGAOFRIEZ-OAHLLOKOSA-N 360.462 0.710 0 40 FCAB Cn1c(CN2CCOCC2)nnc1SCC(=O)NCc1ccco1 408599478 HTIHVPAPKMHELY-UHFFFAOYSA-N 351.432 0.649 0 40 FCAB O=C1NC(=O)N2CCN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@@H]12 539805437 ARLGDPPQFRLYLS-AWEZNQCLSA-N 350.382 0.768 0 40 FCAB CN(C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 659394262 QJUBQSGZXDUCDZ-JTDSTZFVSA-N 361.442 0.902 0 40 FCAB CCn1nc2c(cc1=O)CN(C(=O)c1c[nH]nc1[C@@H]1CCCCN1)CC2 685941243 BBQMKCNSAKULRR-HNNXBMFYSA-N 356.430 0.999 0 40 FCAB NC(=O)Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2c3cccnc3sc21 1888921936 FZZRYFBXGQIQPG-VIFPVBQESA-N 360.395 0.437 0 40 FCAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ncnn3C)CC2)n1 2086884489 ZYKPXEIOIWXIKK-UHFFFAOYSA-N 358.450 0.072 0 40 FCAB COC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1579891 TXPSDTDXSCHBJF-KBPBESRZSA-N 366.414 0.773 0 40 FCAB Cc1ccc(OC[C@H](O)Cn2c(N(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 2329395 XVYJKMUXWMUKRE-GFCCVEGCSA-N 373.413 0.238 0 40 FCAB COc1cc(OC)c2cc(C(=O)N[C@@H](C)C(=O)NCC(=O)O)n(C)c2c1 4000355 AHJWOTNZZQSMRY-VIFPVBQESA-N 363.370 0.515 0 40 FCAB biogenic COc1ccc(C2=NO[C@@H](Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)cc1 5207052 WKJVJTQEZORCCJ-CYBMUJFWSA-N 369.381 0.636 0 40 FCAB C[C@@H](Sc1n[nH]c(=O)n1C[C@@H]1CCCO1)C(=O)NC(=O)NC(C)(C)C 7301428 HKGWZDHASIUZEF-ZJUUUORDSA-N 371.463 0.855 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)O)[C@H](C)O)cc1 8754742 FMEQRRQYIAMEQO-GWCFXTLKSA-N 358.416 0.281 0 40 FCAB CCCCn1c(N)c(N(C)CC(=O)NCc2ccccc2)c(=O)[nH]c1=O 8767525 VWTULTZVYRRSCZ-UHFFFAOYSA-N 359.430 0.672 0 40 FCAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCO2)cc1 22620596 GSMOXHYWWPZMSH-AWEZNQCLSA-N 354.428 0.853 0 40 FCAB NC(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)C1 23653546 RJSZGHDMLANUPW-CYBMUJFWSA-N 352.460 0.958 0 40 FCAB CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2cnn(C)c2)cc1 25047053 JKQREKKRPRYRJT-UHFFFAOYSA-N 350.444 0.919 0 40 FCAB O=C(c1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)N1CCCC1 33330696 NFAGSORBHJDTPI-UHFFFAOYSA-N 364.383 0.100 0 40 FCAB COCC(=O)Nn1c(C)cc2c(cnc3nc(-c4cccnc4)nn32)c1=O 38784053 LXRGQWYDPDCXGD-UHFFFAOYSA-N 365.353 0.526 0 40 FCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CC(F)(F)F)CC2)C[C@H](C)O1 42753161 VAPHKMRUNCNEHQ-QWRGUYRKSA-N 373.397 0.437 0 40 FCAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCNC2=O)c1 58226654 ZWCDJACERVHGOD-AWEZNQCLSA-N 353.444 0.726 0 40 FCAB CS(=O)(=O)N1CCC[C@H](NC(=O)NCc2cn3ccsc3n2)C1 67623641 MGRCFVMQTTVYJJ-JTQLQIEISA-N 357.461 0.619 0 40 FCAB O=C(c1cnccn1)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 96049239 OMQUNIPPNLOFID-UHFFFAOYSA-N 354.370 0.305 0 40 FCAB Cc1noc(Cc2ccccc2NC(=O)CCn2ccc(=O)[nH]c2=O)n1 96119580 ZMXDQSZOCOQPPO-UHFFFAOYSA-N 355.354 0.848 0 40 FCAB CC(=O)NCC(=O)N1CC[C@@]2(COCc3cnc(NCC4CC4)nc32)C1 96244127 BMAZBODGHNMINB-SFHVURJKSA-N 359.430 0.435 0 40 FCAB COc1cccc(C(=O)NC[C@]2(COc3cnccn3)C[C@H](O)[C@H](O)C2)c1 107430462 MYRNPUICOFMKKE-HGKCTWBKSA-N 373.409 0.796 0 40 FCAB biogenic,in-vitro CNC(=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CCN1C(C)=O 257270578 MUURHACGAIKFKW-INIZCTEOSA-N 360.389 0.736 0 40 FCAB COCC(=O)N1CC2(CCN(Cc3cncn3C)CC2)C[C@@]1(C)CO 257308442 TWRVCQAMKZACQH-KRWDZBQOSA-N 350.463 0.632 0 40 FCAB CCCNC(=O)c1n[nH]c2c1C[C@H](CNC(=O)CCc1cncnc1)OC2 1565547243 HAMPUNODALYXTI-CYBMUJFWSA-N 372.429 0.530 0 40 FCAB CC[C@@H]1CN(C(=O)c2cc(C)nn2C)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594872 CMAPQBCYWGFLHD-JFIYKMOQSA-N 363.506 0.435 0 40 FCAB CCCn1c(SCC(=O)N(CC)CC)nc2c1c(=O)n(C)c(=O)n2C 880898 RWVJSQOPVJQYPP-UHFFFAOYSA-N 367.475 0.804 0 40 FCAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccn2C)c(=O)n(C)c1=O 2640570 NZWHXPVXCLKSDN-UHFFFAOYSA-N 362.386 0.163 0 40 FCAB Cc1ccc(N(Cc2nnc(SCC(N)=O)n2C)S(C)(=O)=O)cc1 15019663 YDJXUPCYSCTWIX-UHFFFAOYSA-N 369.472 0.667 0 40 FCAB O=C(NCCO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007609 OESUFKYFUIIIMF-MRXNPFEDSA-N 366.414 0.824 0 40 FCAB Cc1nc(NC2=NCN(N3CCN(C)CC3)CN2)nc2c(C)cccc12 20634355 FADMRLBHBHOCQN-UHFFFAOYSA-N 354.462 0.997 0 40 FCAB CCc1nnsc1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 21133492 KMSWSXBTERTUJD-UHFFFAOYSA-N 358.431 0.740 0 40 FCAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc[nH]n3)c2)C[C@@H](C)O1 23142509 VLIIWCSITHIEJU-GHMZBOCLSA-N 365.415 0.855 0 40 FCAB CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1 32911876 JWPBQHNJYATWPM-LBPRGKRZSA-N 358.485 0.853 0 40 FCAB CN(C(=O)Cn1nc(-c2ccco2)ccc1=O)[C@@H]1CCS(=O)(=O)C1 40284945 VAZVUXUCNWFYHO-LLVKDONJSA-N 351.384 0.149 0 40 FCAB COc1ccc(NC(=O)C(=O)NC2CC2)cc1N1CCCCS1(=O)=O 40287803 QMAGSQQOZXQXGF-UHFFFAOYSA-N 367.427 0.842 0 40 FCAB O=C(CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1cn[nH]c1 51414643 SXGWELYYFYEOFB-UHFFFAOYSA-N 358.326 0.775 0 40 FCAB COc1ccc(NC(=O)Cn2nc(N3CCOCC3)ccc2=O)c(OC)c1 61721839 GEPUQBFTMHPPBJ-UHFFFAOYSA-N 374.397 0.736 0 40 FCAB NCCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 71776002 VCIGYETUELKGCM-MRXNPFEDSA-N 373.501 0.750 0 40 FCAB CCOC(=O)C[C@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CC1 95450065 OBWPMDSVNZKETD-ZDUSSCGKSA-N 368.411 0.759 0 40 FCAB CCS(=O)(=O)N1CCOC[C@]2(CN(c3ccccc3)C(=O)CO2)C1 96051284 JSYMKSSJVPQWFL-MRXNPFEDSA-N 354.428 0.471 0 40 FCAB CC(=O)N1CCN(c2c(NC[C@@H](c3ccco3)N(C)C)c(=O)c2=O)CC1 101442224 QQNVNMKITURKAM-ZDUSSCGKSA-N 360.414 0.259 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](Oc2cccnn2)C1 225410125 ZYHHXMROLDDJTK-ZDUSSCGKSA-N 351.366 0.866 0 40 FCAB C[C@@H](O)c1ccc(CCNC(=O)N2CCN(S(C)(=O)=O)C2=O)s1 225688231 IIIJUGAVYAVKHG-SECBINFHSA-N 361.445 0.751 0 40 FCAB Cc1noc(C)c1CCC(=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257335009 YIHLUPAWNPJKLL-IRXDYDNUSA-N 351.447 0.908 0 40 FCAB CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Nc3cc(C)cc(C(N)=O)c3)C[C@@H]12 585101640 BSCZQOQVENCBKI-MJBXVCDLSA-N 367.427 0.370 0 40 FCAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2ccnn21 585111776 HBYTYQQOWLMOTN-CYBMUJFWSA-N 352.391 0.904 0 40 FCAB O=C(Cc1ccccc1)N1CC[C@](O)(CN2CCC(CO)CC2)[C@@H](O)C1 585289079 CXUXMZMQTVTNBZ-ICSRJNTNSA-N 362.470 0.258 0 40 FCAB Cn1cc(O[C@@H]2CN(C(=O)c3cnn(-c4cccnc4)c3)C[C@H]2O)cn1 628260599 NNSKDIOWSOBOLM-HZPDHXFCSA-N 354.370 0.265 0 40 FCAB Cc1cnn(CC2CCN(C(=O)[C@H]3Cn4c(C)nnc4CN3C)CC2)c1 644373160 XSJTXROABORXBM-MRXNPFEDSA-N 357.462 0.844 0 40 FCAB COc1ccccc1CN(CCO)C(=O)CN1CCCC[C@H](O)C1=O 644402538 DXYVFRZSYUAYDB-HNNXBMFYSA-N 350.415 0.390 0 40 FCAB COC[C@H]1CC2(CCN(C(=O)c3csnn3)CC2)CN1S(C)(=O)=O 1565542272 MNGXOPHYPZMCNC-LLVKDONJSA-N 374.488 0.441 0 40 FCAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)CS(C)(=O)=O)C1 2055751117 JWSVYWRFEBIYON-QGZVFWFLSA-N 367.471 0.593 0 40 FCAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(F)(F)F)c1 3488421 INXKOGVGTZANCD-UHFFFAOYSA-N 354.306 0.430 0 40 FCAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NC[C@H]1CCCO1 4139863 NEDWIKFMEFVLJK-CYBMUJFWSA-N 354.370 0.272 0 40 FCAB COCCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@@]12C(=O)Nc1ccccc12 4730172 QJPUSSOHQGKVIL-GOSISDBHSA-N 370.365 0.709 0 40 FCAB CCn1cc(Cn2cc(NC(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)cn2)cn1 6637109 ZRMDTSPHWAHCDG-QPSCCSFWSA-N 359.386 0.965 0 40 FCAB O=C(Cn1cnnn1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 7989486 OXOAACBHNVGUQY-GFCCVEGCSA-N 369.385 0.117 0 40 FCAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCc2ccco2)n1 9037404 NEINSVGSHQXQCG-UHFFFAOYSA-N 356.342 0.420 0 40 FCAB Cc1cc2ccccc2n1CC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 10621620 YWHOYRTVNUDFEN-CQSZACIVSA-N 364.423 0.796 0 40 FCAB CC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 12219429 QCZIKTMKDUOPKX-UHFFFAOYSA-N 351.428 0.814 0 40 FCAB CC(C)[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 12550884 JQGRWSRPVMRFLX-OAHLLOKOSA-N 369.425 0.947 0 40 FCAB CCN1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 14163654 RCWOVHCCBAXFGL-OAHLLOKOSA-N 365.455 0.449 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C 16849938 ZHYBWJJPOZTSKF-UHFFFAOYSA-N 356.404 0.339 0 40 FCAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)COC)C2 19708724 GDSYAQLBVSOTPA-CYBMUJFWSA-N 361.446 0.775 0 40 FCAB C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1nnc2ccccn12 22422301 ZAZSNXRQIQFQKD-SNVBAGLBSA-N 352.358 0.050 0 40 FCAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCN1CCOCC1 22874318 VISXOTTZCHIHCZ-UHFFFAOYSA-N 355.460 0.819 0 40 FCAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccon2)N2CCOCC2)cc1 23107414 IVXWIVKGOFHRCT-OAHLLOKOSA-N 374.397 0.811 0 40 FCAB CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N2CCc3ccccc3C2)C1=O 23876991 SQISEEUWMLHIAZ-LJQANCHMSA-N 373.409 0.835 0 40 FCAB Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 24770837 DJPDXSQMHNXAKV-UHFFFAOYSA-N 363.395 0.889 0 40 FCAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)C1 24801187 NKWAKBIKBAOMOV-VXGBXAGGSA-N 354.428 0.995 0 40 FCAB O=C(NCCNC(=O)c1ccco1)NCc1ccc(N2CCOCC2)nc1 27342112 HMIRPRAQYCCZCM-UHFFFAOYSA-N 373.413 0.740 0 40 FCAB CNS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 35898162 SKPXLYIJNUECJT-VOAKCMCISA-N 354.384 0.411 0 40 FCAB CC(=O)N1C[C@H](C(=O)N2CCN(c3cnccn3)CC2)Oc2ccccc21 40040743 UDNBKRDVCBIVKV-QGZVFWFLSA-N 367.409 0.939 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1Br 40699893 VSDDZBLYXCOYNO-SECBINFHSA-N 368.205 0.572 0 40 FCAB CN(C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 47157577 YQJQHQUOMGLCQX-UHFFFAOYSA-N 355.460 0.389 0 40 FCAB CC(C)(C)c1nc(CN2CCN(C(=O)CN3CCOCC3)CC2)no1 51180794 OYWXJSRFSGTFID-UHFFFAOYSA-N 351.451 0.344 0 40 FCAB CCN(CC)C(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961321 DCJYQPMPPBIKLJ-MRXNPFEDSA-N 362.478 0.995 0 40 FCAB Cn1cc(N2C[C@]3(COCCN(Cc4ccncc4)C3)OCC2=O)cn1 96051436 OBBBQPBKMPMEFP-GOSISDBHSA-N 357.414 0.450 0 40 FCAB Cn1cc(S(=O)(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)cn1 225629736 CJXIUASTHVHERU-UHFFFAOYSA-N 374.426 0.836 0 40 FCAB O=C(c1cc(C2CC2)on1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238830524 FUNCVTQZWQTVRQ-UHFFFAOYSA-N 365.415 0.812 0 40 FCAB CN(C)C(=O)[C@]1(C)CN(C(=O)c2ccc(-c3cncnc3)nc2)CCO1 257227001 FNEVEAYNPODRSD-SFHVURJKSA-N 355.398 0.858 0 40 FCAB Cc1cncc(C(=O)N2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)c1 257270644 MVBIMESXYWIOAE-HOCLYGCPSA-N 353.444 0.391 0 40 FCAB Cc1noc([C@@H]2CC[C@H](CN(CC(=O)N(C)C3CC3)S(C)(=O)=O)O2)n1 548663192 NOJFUUZIZLUDMX-OLZOCXBDSA-N 372.447 0.481 0 40 FCAB CCN1CCN(C(=O)NC[C@@](O)(c2ccoc2)c2ccco2)C(=O)C1=O 618255557 SPUXVCRVEQGSHD-QGZVFWFLSA-N 361.354 0.509 0 40 FCAB COc1ncc(C(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cc1Cl 628262258 DUPJAXLTDMMKFC-CHWSQXEVSA-N 352.778 0.741 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cc(C)ccc2F)CCO1 681943629 ZEFBBIWKPVACDB-CYBMUJFWSA-N 352.362 0.908 0 40 FCAB CC(=O)N1CCC(N2CC[C@@](C)(O)[C@H](n3cc(C)c(O)nc3=O)C2)CC1 2037849961 WOLNPORQFLPXGA-CRAIPNDOSA-N 364.446 0.266 0 40 FCAB CN(C)S(=O)(=O)N1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@@H]21 2055725622 MOGOUSQHYWAUBS-OWCLPIDISA-N 355.460 0.884 0 40 FCAB Cn1nnnc1SCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 3339196 UWYJLSHNZRUSDY-GFCCVEGCSA-N 373.504 0.651 0 40 FCAB CCOC(=O)c1c(SCC(=O)NC[C@H]2CCCO2)nc(=O)[nH]c1C 4317626 DWQYQYXMXITRSV-SNVBAGLBSA-N 355.416 0.642 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NC2CC2)cc1 4569344 KJBMILWUAOAXAW-AWEZNQCLSA-N 365.455 0.543 0 40 FCAB CN(C)CCCNS(=O)(=O)c1cc2c3c(cccc3c1)C(=O)NC2=O 5544917 YSGQBDMSEQZEED-UHFFFAOYSA-N 361.423 0.953 0 40 FCAB CCOc1ccccc1C(=O)NCC(=O)N1CCN(c2ncccn2)CC1 8112730 NRLOPHPRUDSZSG-UHFFFAOYSA-N 369.425 0.954 0 40 FCAB O=C(CSc1nnnn1Cc1cccs1)N[C@@H]1CCS(=O)(=O)C1 9647584 SACWLBRVLYESHP-SECBINFHSA-N 373.485 0.178 0 40 FCAB Nc1nc(N)nc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 9948440 XYFHAUOTMZLBPX-UHFFFAOYSA-N 363.422 0.616 0 40 FCAB O=C1CCc2cc(S(=O)(=O)NCCNC(=O)c3cccnc3)ccc2N1 12362063 GIYDTULCPIPGEP-UHFFFAOYSA-N 374.422 0.675 0 40 FCAB Cn1cnc2c1c(=O)n(CCCSc1nnc(N)s1)c(=O)n2C 12734259 UHFBCDIKYVNJHH-UHFFFAOYSA-N 353.433 0.050 0 40 FCAB O=C(c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)N1CCCC1 17356513 PMWWPKQNAKRITF-ZDUSSCGKSA-N 372.468 0.388 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)Cc2ccsc2)cc1 23637069 QLVDILFOFYILED-UHFFFAOYSA-N 368.436 0.798 0 40 FCAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1C[C@H](C)O[C@@H](C)C1 23989837 XOSRAYBNSJPHRT-STQMWFEESA-N 374.445 0.104 0 40 FCAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC[C@H]2CCCO2)cc1 28209445 YUFOYTUWBKYVLP-HIFRSBDPSA-N 366.439 0.970 0 40 FCAB CN(C)S(=O)(=O)c1ccc(NC(=O)CCN2CCC(O)CC2)cc1 32870815 RMGKCGCDCULNCI-UHFFFAOYSA-N 355.460 0.722 0 40 FCAB COCC(=O)Nn1ccc2c(cnc3nc(-c4ccncc4)nn32)c1=O 38784072 ROHXPTOJDJTYGT-UHFFFAOYSA-N 351.326 0.218 0 40 FCAB COC(=O)c1ccc(O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 40005755 RUUQDHUYGVGXSH-DGCLKSJQSA-N 355.412 0.886 0 40 FCAB COc1ncccc1NC(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 40121640 MCFCIZBLFHXUOM-VXGBXAGGSA-N 372.447 0.651 0 40 FCAB C[C@@H]1CN(C(=O)CN2CC(c3nc(-c4ncccn4)no3)C2)C[C@@H](C)O1 49483164 JDWJRVLWFVMDDS-VXGBXAGGSA-N 358.402 0.562 0 40 FCAB NC(=O)[C@H]1CN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CCO1 51467494 UNPNLHUNGVVPRD-MRXNPFEDSA-N 355.394 0.672 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)c2cccnc2)C[C@]2(CC(=O)N(C)C2)C1 96036068 PKZMMOKLOOVBNP-IBGZPJMESA-N 358.442 0.871 0 40 FCAB CCN1C[C@]2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(=O)C(C)C)C2 96036171 HSCIHEPZDNYMLP-IBGZPJMESA-N 361.490 0.959 0 40 FCAB Cc1c(CNC(=O)Cc2ccc(OCc3nnnn3C)cc2)cnn1C 96191969 QYLJMZDZAMRIDJ-UHFFFAOYSA-N 355.402 0.690 0 40 FCAB COc1ccc(N2C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)O)C2=O)cc1 101273629 IOABLRHPBJKSMW-CHWSQXEVSA-N 366.395 0.650 0 40 FCAB O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)N[C@@H]1CCS(=O)(=O)C1 103137971 GMNYAYYAVXEZMQ-GMXVVIOVSA-N 357.428 0.228 0 40 FCAB CCOC(=O)/C=C\C(=O)N1CCN(C(=O)/C=C/C(=O)OCC)[C@H](C)C1 104218746 XGKXDXRFGLBGBN-MMINCRFLSA-N 352.387 0.284 0 40 FCAB CS(=O)(=O)Nc1cc(C(=O)NCCN2CCOCC2)ccc1Cl 139470231 FMFSFJBHWAZWAZ-UHFFFAOYSA-N 361.851 0.774 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)NCCSc2ncn[nH]2)ccc1OC 222902084 GCIMSEFTGFMMPF-UHFFFAOYSA-N 371.444 0.244 0 40 FCAB Cc1nn(C)cc1NC(=O)CN1CCN(Cc2ccccc2)C[C@H]1C(N)=O 257230456 GCLVBRWOESZOHJ-KRWDZBQOSA-N 370.457 0.339 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2nccnc2-c2cncn2C)C1 257249689 JJJCQGDTNRECAC-ZDUSSCGKSA-N 364.475 0.938 0 40 FCAB Cn1ccc(C(=O)N2CC[C@]3(CCn4ncnc4[C@@H]3NC(=O)C3CC3)C2)n1 306144332 ZCTWHPBIGQIGRO-KSSFIOAISA-N 369.429 0.515 0 40 FCAB NC(=O)c1ccccc1NC(=O)C1CN(c2cc(-n3cncn3)ncn2)C1 575607306 BGDFATDUCYUJPW-UHFFFAOYSA-N 364.369 0.231 0 40 FCAB Cc1cn2ccnc(C(=O)N3Cc4nnc(C)n4C[C@H]3CN(C)C)c2n1 685942369 JUAKVIPZABUTIR-CYBMUJFWSA-N 354.418 0.524 0 40 FCAB CNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3ncn(C)n3)CC2)CO1 1565554422 QPKQTHAIFHIWMW-GFCCVEGCSA-N 350.423 0.146 0 40 FCAB COCCNC(=O)c1cnc2n1[C@H](CNC(=O)C1CC(F)(F)C1)CC2 1614937728 JEYJHNBQWGLOIB-NSHDSACASA-N 356.373 0.908 0 40 FCAB O=C1CCCN1CC(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839736 BWFGAVSHLMVJHJ-LJQANCHMSA-N 357.410 0.643 0 40 FCAB Cn1ccc(CC(=O)N2CCC[C@@](C(=O)NCC3CC3)(n3ccnc3)C2)n1 2055771831 CVJZYDVIQYMITC-LJQANCHMSA-N 370.457 0.703 0 40 FCAB Cn1cnnc1SCC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3415781 MPJFLMAFMSYTRU-HNNXBMFYSA-N 360.399 0.406 0 40 FCAB CCCCN(C(=O)Cn1ccnc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 10809571 IOCCFDCANSRNCR-UHFFFAOYSA-N 362.434 0.805 0 40 FCAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCCN(C)C)cc2)C1=O 12021089 WMVXIBVDGCFZQX-LBPRGKRZSA-N 353.444 0.681 0 40 FCAB CC[C@@H](CO)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(OC)cc1 12233874 SBSFEZWQAKVNDU-NSHDSACASA-N 359.386 0.299 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(C)c(C)cc(C)c1C 12622784 FYFNNOHYSUKNIN-CQSZACIVSA-N 368.455 0.972 0 40 FCAB Cc1nc(NC(=O)CN2CCC(C(N)=O)CC2)nc2c1C(=O)C[C@H](C)C2 13636294 FXQQAHYNVJGIAH-SNVBAGLBSA-N 359.430 0.686 0 40 FCAB C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)C2CC2)CC1 14119838 XWTXEQHVQSESFO-AWEZNQCLSA-N 358.442 0.955 0 40 FCAB CC[C@@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 15335917 QTLMDMIFGVFAEK-LBPRGKRZSA-N 351.428 0.556 0 40 FCAB CN1CCN(c2nccc(CN3C[C@H]4CCCN4C[C@@H]3CCO)n2)CC1 19590148 XYNWIBFARVLTKC-MSOLQXFVSA-N 360.506 0.259 0 40 FCAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)CN(C)C)C2 19711357 OGQZVHVUWYXQQM-UHFFFAOYSA-N 374.489 0.691 0 40 FCAB Cn1nc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)ccc1=O 38728646 OHROOYUKTOVDNX-JKSUJKDBSA-N 366.421 0.868 0 40 FCAB Cc1ccc(-n2cnnn2)cc1NC(=O)C(=O)N[C@H](C)Cn1cccn1 41739007 AWIGDBWJAYVKBE-GFCCVEGCSA-N 354.374 0.311 0 40 FCAB C[C@@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(N)=O 53327684 PHCBKWWIZUIEQH-SSDOTTSWSA-N 366.468 0.697 0 40 FCAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CC[C@@H](S(C)(=O)=O)C1)CS2 96369616 PFBHDEUAGCLVJE-VXGBXAGGSA-N 371.484 0.543 0 40 FCAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N1CCOCC1 217470054 OGCPYRJQYVCCQE-UHFFFAOYSA-N 358.416 0.536 0 40 FCAB CN(C)c1cc(N2CCC[C@](O)(CNC(=O)c3cccnc3)C2)ncn1 257321035 VZVGGTKPVDDNOH-SFHVURJKSA-N 356.430 0.699 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccccc1F 408622278 VMYBDMPKMHXYEP-UHFFFAOYSA-N 354.407 0.995 0 40 FCAB O=C(Cn1cnc2sccc2c1=O)N1CCC(c2nc(O)n[nH]2)CC1 572397462 ZPIVAXZNJPCSDP-UHFFFAOYSA-N 360.399 0.688 0 40 FCAB CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)CNS(C)(=O)=O)C1 585276525 MIAXXWYARYSVKP-INIZCTEOSA-N 356.444 0.541 0 40 FCAB Cc1cccc2[nH]c(C(=O)N3CCN([C@@H]4COC[C@@H](O)[C@H]4O)CC3)cc12 585288340 VZUFQBGAYCMJHC-KURKYZTESA-N 359.426 0.355 0 40 FCAB CCN1CCO[C@@H](CNCc2cnc(N(C)C)nc2)[C@@H]1c1cnn(C)c1 657621854 GDZWPYUQKPLTLE-IRXDYDNUSA-N 359.478 0.828 0 40 FCAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H]1COc2c1ccc(C)c2C 660562633 GFKTXAIUNWLQDO-MGPQQGTHSA-N 354.428 0.848 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)CCO1 681943311 KXZXIOQDRWLFDP-AWEZNQCLSA-N 366.418 0.412 0 40 FCAB O=C(NC1CCCC1)c1n[nH]c2c1C[C@H](CNC(=O)[C@@H]1[C@H]3COC[C@H]31)OC2 1565546596 HURUQGXOTUMDDJ-UYHMYPTGSA-N 374.441 0.532 0 40 FCAB CS(=O)(=O)N1CCOCC2(CCN(C(=O)c3csnn3)CC2)C1 1565555130 SXSNFELOWCICRH-UHFFFAOYSA-N 360.461 0.052 0 40 FCAB O=C(c1ccncc1F)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888901342 WAOSCTCBPSJJSM-RYUDHWBXSA-N 353.361 0.867 0 40 FCAB CCn1cc(Cl)c(C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@H]23)n1 2758598 TUZZVMZSOPUQRP-TVQRCGJNSA-N 370.818 0.929 0 40 FCAB O=C(COC(=O)c1ccc(Br)o1)N[C@@H]1CCS(=O)(=O)C1 3530881 BLEFQIYGXWNMDF-SSDOTTSWSA-N 366.189 0.502 0 40 FCAB CCOC(=O)CNC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 4165731 CZWHAODRMCNRGX-UHFFFAOYSA-N 355.354 0.262 0 40 FCAB Cc1cccc(OCCOC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 6371038 HXHCMASAELHRQK-UHFFFAOYSA-N 372.381 0.364 0 40 FCAB COCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@H]2C1=O 9046237 RZAJZQDWKRVDQO-BPATVMIZSA-N 357.410 0.690 0 40 FCAB C/C=C/Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CCCO)n(C)c1=O 10387123 VIIMHZZFKNFMBM-BTDICHCPSA-N 360.418 0.612 0 40 FCAB CCc1ccc(OC[C@H]2Cn3c(nc4c(=O)n(C)c(=O)n(C)c43)O2)cc1 12818491 NHUGWXLQGLUXTG-CYBMUJFWSA-N 356.382 0.836 0 40 FCAB Cn1c(=O)c2cc(NC(=O)COc3ccccc3F)cnc2n(C)c1=O 14017601 LHDNAUUSXUVYES-UHFFFAOYSA-N 358.329 0.789 0 40 FCAB O=C(NC1CC1)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1 35315805 WUTXKZCCUUKNAB-UHFFFAOYSA-N 365.455 0.870 0 40 FCAB Cc1nn(C)cc1CN1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)CC1 36610963 MZTPUDTWMWKCCL-WTTBNOFXSA-N 358.442 0.896 0 40 FCAB COc1ccccc1N1CCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1 36708404 TUVOAQZLYTXDQI-UHFFFAOYSA-N 358.398 0.272 0 40 FCAB CS(=O)(=O)N1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1 43941641 RUGRJEBTYYHRKV-UHFFFAOYSA-N 371.434 0.230 0 40 FCAB CC[C@H](C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F 44019731 WBAXSXXYPPILCT-WMNYDERDSA-N 359.354 0.616 0 40 FCAB in-vitro CC(C)[C@@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21 45673147 PKXWXXPNHIWQHW-VBNZEHGJSA-N 361.442 0.380 0 40 FCAB in-vitro CON(C)S(=O)(=O)c1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1 53176323 ZVUJKPGHVJSYEF-UHFFFAOYSA-N 354.388 0.415 0 40 FCAB Cc1nn(C)c(C)c1CCC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 55226505 SGFKWNPXQLPGDX-OAHLLOKOSA-N 361.490 0.781 0 40 FCAB C[C@H](C(=O)NC1CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326343 APTZVOHAMXJLGT-ADLMAVQZSA-N 357.414 0.613 0 40 FCAB O=C(COc1ccccc1)NCC(=O)N1CCC(N2CCCNC2=O)CC1 89845750 MHFCCDSGIOUBIN-UHFFFAOYSA-N 374.441 0.588 0 40 FCAB CCn1c([C@@H](C)NC(=O)c2cn(CCO)c(=O)[nH]c2=O)nc2ccccc21 95451524 NRTVBALMICASMM-LLVKDONJSA-N 371.397 0.390 0 40 FCAB O=C(Cn1nc(-c2ccco2)ccc1=O)NCc1nnc2ccccn12 95477926 DGQPQMNVJHWLND-UHFFFAOYSA-N 350.338 0.862 0 40 FCAB CCc1nc(Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)no1 98213079 ZXUGUKDRDPFOFZ-UHFFFAOYSA-N 372.360 0.834 0 40 FCAB O=C1CCCN1CC(=O)N1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 100754134 NUXNUEVHBQJXJG-CZUORRHYSA-N 371.441 0.524 0 40 FCAB Cn1c(=O)c2[nH]c(SCC(=O)Nc3ccc(F)cc3)nc2n(C)c1=O 101098780 SVNCSBFOFHKVLZ-UHFFFAOYSA-N 363.374 0.830 0 40 FCAB CC(=O)N1CCc2cc(S(=O)(=O)NCCc3nc(C)no3)ccc21 101575569 AKXQHLYBHOHDIC-UHFFFAOYSA-N 350.400 0.808 0 40 FCAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@@H]3CCCOC3)CC2)C1 171619329 QDCSUYVRHVDRKN-IXDOHACOSA-N 366.506 0.997 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](c2cnc(-c3ccnn3C)cn2)C1 257267352 MGXNFNCZNZEEQM-LBPRGKRZSA-N 350.448 0.863 0 40 FCAB O=C(c1ccco1)N1CC[C@@]2(Cc3nn(CC4CC4)c(=O)c(=O)n3C2)C1 306137720 RDWOTAQUHQJNQF-GOSISDBHSA-N 356.382 0.497 0 40 FCAB C[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)n1cncn1 548677151 HYNQUVWDOYSGBJ-AGIUHOORSA-N 362.413 0.428 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3ccc4c(c3)CCOC4)C2)C1 685941190 AHIYDZDFWJDRBB-HNNXBMFYSA-N 357.410 0.178 0 40 FCAB CCCN1CC[C@H](NC(=O)Cn2cnc3c2CCNC32CCOCC2)C1 1614626990 TVSIDACLDZXKRU-HNNXBMFYSA-N 361.490 0.635 0 40 FCAB Cc1nn(C)c(Cl)c1S(=O)(=O)NNS(=O)(=O)c1ccccc1 2577741 ZLITVRLSVLIJPS-UHFFFAOYSA-N 364.836 0.554 0 40 FCAB CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc(C(C)(C)C)cc1 4305785 PVZNOMYOMQFDQC-KSWRQPAISA-N 353.415 0.307 0 40 FCAB CCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@@H]2O1 5158648 TXRXEHHGCBJORG-AHTVYTJUSA-N 357.263 0.227 0 40 FCAB in-vitro Cc1ccsc1C(=O)O[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 8708245 BBOQZVRDXUZTJA-MRVPVSSYSA-N 351.384 0.464 0 40 FCAB Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCO2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9038816 MNFBRDRQDPRNME-LBPRGKRZSA-N 374.401 0.115 0 40 FCAB Cc1nonc1C(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12222899 NXRIBTJRENAXTM-UHFFFAOYSA-N 363.399 0.714 0 40 FCAB COc1ccc(OCCN(C)CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 15307773 ORPPMECRQVLDCI-KRWDZBQOSA-N 370.471 0.699 0 40 FCAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(Cc3ccccn3)CC2)C1=O 19460014 CMMQXMVPLMMDNC-LJQANCHMSA-N 371.441 0.446 0 40 FCAB O=C(NC1CCCC1)[C@@H]1CN(C(=O)Cn2nnc3ccccc32)CCO1 19747853 GXYLBFTYXXIISO-INIZCTEOSA-N 357.414 0.718 0 40 FCAB C[C@H]1CN(S(=O)(=O)CCn2c(=O)[nH]c3ccccc3c2=O)C[C@@H](C)O1 46565000 QBOPASWNIPPDCN-TXEJJXNPSA-N 367.427 0.129 0 40 FCAB Cc1csc(N2CCN(C(=O)NCCN3CCCS3(=O)=O)CC2)n1 61039396 CSTHLFJYQZPMRS-UHFFFAOYSA-N 373.504 0.319 0 40 FCAB NC(=O)[C@@H]1Cc2ccccc2N1CC(=O)NC[C@H]1COc2ccccc2O1 64344560 ICVBEFZEZDPUAX-HOCLYGCPSA-N 367.405 0.859 0 40 FCAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@H]32)Nc2ccccc21 72326883 JIWOBWKDRYRXJZ-ZUCKAHLUSA-N 353.386 0.093 0 40 FCAB O=C1CCCN1CC(=O)N1[C@H]2CC[C@@H]1Cc1nc3ccccc3c(=O)n1C2 72327405 PGHCWOJPUTXJOK-KGLIPLIRSA-N 366.421 0.935 0 40 FCAB CC(=O)N1C[C@@H]2CN(C(=O)c3nc(C)ncc3Cl)C[C@]2(C(=O)O)C1 92065203 QYLJBIGMNZOQKZ-MEBBXXQBSA-N 352.778 0.444 0 40 FCAB Cc1ccc(NC(=O)C2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc1 95365086 KWNPSJIMFJTFAZ-KGLIPLIRSA-N 353.444 0.198 0 40 FCAB CN(C)C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ncccn3)C[C@@H]2C1 96251224 MEHWSQXLCMIZQN-KSSFIOAISA-N 360.462 0.765 0 40 FCAB CC(=O)N[C@@]12CCN(C(=O)CO)C[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 257246967 IWTFKTZKJZDYIH-BHIYHBOVSA-N 359.426 0.306 0 40 FCAB C/C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 257383830 BCJMNZRQJAVDLD-DQSHDYJSSA-N 351.399 0.165 0 40 FCAB biogenic COc1nc(CNC(=O)CNC(=O)OCc2ccccc2)nc(OC)n1 575605446 ANFQWXKYMQXYTM-UHFFFAOYSA-N 361.358 0.431 0 40 FCAB O=C(C1CC(O)C1)N1CC[C@H]2O[C@@H](COCCN3CCOCC3)CC[C@H]21 585108474 RXUOGFTYAZNVSJ-NHHFINERSA-N 368.474 0.255 0 40 FCAB Cc1nnc2n1C[C@H](C(=O)NCCc1nc3ccc(F)cc3[nH]1)N(C)C2 644374540 DZIQAMNYZMVJJW-CQSZACIVSA-N 357.393 0.775 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 1251071324 JIIDMEDCFMOANM-MRXNPFEDSA-N 352.460 0.703 0 40 FCAB Cn1cccc(C(=O)N2CCn3c(COc4ncccn4)nnc3C2)c1=O 1565553143 LPQFHZJHVVACQY-UHFFFAOYSA-N 367.369 0.002 0 40 FCAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2nc(C)no2)C1 2055747791 VYUYQAXKIQCRQK-QGZVFWFLSA-N 361.377 0.889 0 40 FCAB COCCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007688 XNQPFOSTLVTDNM-UHFFFAOYSA-N 373.409 0.445 0 40 FCAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 4027631 VVZFVPMPVCQRCY-QWRGUYRKSA-N 371.438 0.219 0 40 FCAB biogenic CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 5863228 ZAPSUIRLUPFYSY-UHFFFAOYSA-N 356.400 0.518 0 40 FCAB CCOC(=O)CNC(=O)CCCCSc1nc(N)nc2[nH]cnc12 6187198 YMCSHHRRAUZLDT-UHFFFAOYSA-N 352.420 0.877 0 40 FCAB C/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 8380724 ABGULZIZUKLZDR-NSCUHMNNSA-N 352.412 0.867 0 40 FCAB COC(=O)Cc1cc(=O)[nH]c(NC(=N)Nc2ccc3c(c2)OCCO3)n1 8574776 KEWBMJXRHOFATB-UHFFFAOYSA-N 359.342 0.715 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(OC)nc2)ccc1OC 8745332 QNWVOHOIQZZBNH-UHFFFAOYSA-N 365.411 0.937 0 40 FCAB CCc1cnc2c(c1OC)c(=O)n(CC(=O)NCc1ccco1)c(=O)n2C 9571553 XSQNTHCMPPQFAJ-UHFFFAOYSA-N 372.381 0.576 0 40 FCAB O=C(CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21)N1CCOCC1 13626830 UQVHYDPOKMVVFX-MRXNPFEDSA-N 357.410 0.887 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 16022140 CEUYDHYSQVRLSX-QOIOWGMHSA-N 369.421 0.868 0 40 FCAB Cc1c(CC(=O)N2CCN(CCO)CC2)c(=O)oc2cc(O)cc(O)c12 20759465 DGARCRWEOXGMRQ-UHFFFAOYSA-N 362.382 0.192 0 40 FCAB biogenic CCOCc1ccccc1CNC(=O)C1CCN(S(N)(=O)=O)CC1 24773822 BGHQLEBGTFZUAD-UHFFFAOYSA-N 355.460 0.755 0 40 FCAB COc1cc(C(=O)N2CCN(c3cnccn3)CC2)ccc1OCC(N)=O 25343172 MQOZXPOUIUFOOV-UHFFFAOYSA-N 371.397 0.312 0 40 FCAB O=C(Cn1cccn1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 32492689 VRUVTPGBQAYVFD-UHFFFAOYSA-N 370.381 0.694 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](Cc1ccccc1)C(N)=O 58214249 LPYKYYCJPKFYQT-AWEZNQCLSA-N 367.413 0.079 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1 75031642 VNLQNDJKNXGAAP-UHFFFAOYSA-N 351.432 0.138 0 40 FCAB O=C(C1CC=CC1)N1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1 96160803 JVCUVFSRDQSLBD-APWZRJJASA-N 359.426 0.986 0 40 FCAB Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cnc(-c3ccccc3F)nc21 100038750 AWDNMFGPRPQSTI-UHFFFAOYSA-N 372.312 0.655 0 40 FCAB CC(=O)NCC(=O)NCc1ccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)cc1 257217606 CZSHSOXHIBPAAP-XIRDDKMYSA-N 360.414 0.546 0 40 FCAB O=C(c1ccc[nH]1)N1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 306133667 MSKRQJOYPBBCGI-KBXCAEBGSA-N 358.398 0.662 0 40 FCAB CCS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 330527445 RDCCSEIDECNXJE-AWEZNQCLSA-N 374.484 0.302 0 40 FCAB O=C(CO[C@H]1CSC2(C1)CN(C(=O)[C@@H]1CCOC1)C2)N1CCCC1 575403012 HNJKWYKSTPWXNH-ZIAGYGMSSA-N 354.472 0.748 0 40 FCAB COc1ccc(CCNC(=O)NCCOCCN2C(=O)CCC2=O)cc1 575619596 KHXRKJKHZYFKKJ-UHFFFAOYSA-N 363.414 0.703 0 40 FCAB COC(=O)[C@@H](NC(=O)COCc1nccn1C)c1ccc(OC)c(O)c1 597525607 ZDBQUKPTSYCXAR-INIZCTEOSA-N 363.370 0.681 0 40 FCAB O=C(Cn1ncn2nccc2c1=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 601989122 AFDNMJFDKVGGEW-GFCCVEGCSA-N 374.351 0.564 0 40 FCAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H]1COc2ccc(F)cc2C1 664916059 MHEWKLWAXMWPBS-MBNYWOFBSA-N 358.391 0.240 0 40 FCAB CC[C@H](C)[C@H](C(=O)N1CCn2c(nnc2C(F)(F)F)C1)n1cnnn1 1615151978 MMUCBNMKFMLINZ-WCBMZHEXSA-N 358.328 0.913 0 40 FCAB CCN1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C[C@]12CCOC2 1615589822 VPDGQNKJATZYBG-SFHVURJKSA-N 366.462 0.420 0 40 FCAB Cc1cc(N2CCCC2)nc(N2CCN(c3cc(=O)n(C)c(O)n3)CC2)n1 1889101209 PVEKRZLQUGZVJD-UHFFFAOYSA-N 371.445 0.511 0 40 FCAB CC(=O)N1CCC(N2CCO[C@@]3(COCC(=O)N(C(C)C)C3)C2)CC1 2037985837 XXAIQLMRDXIMIW-SFHVURJKSA-N 353.463 0.336 0 40 FCAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1C 3522068 VRZOKGAOPIEGQR-GFCCVEGCSA-N 370.427 0.636 0 40 FCAB CCNS(=O)(=O)c1cc(OC)c(S(=O)(=O)NCC)cc1OC 4727631 AXFLMEVAYGSFQA-UHFFFAOYSA-N 352.434 0.300 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCOCC2)cc1OC 4815321 MZHMOAAIDUYBBV-LLVKDONJSA-N 358.416 0.229 0 40 FCAB CN(Cc1ccsc1)C(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O 7334416 DNGCIIBICRPHLC-UHFFFAOYSA-N 369.468 0.819 0 40 FCAB Cc1cc(NC(=O)[C@H](C)SCC(=O)OCC(=O)N2CCCC2=O)no1 7780726 YZFLNXSNCMBYJR-JTQLQIEISA-N 369.399 0.735 0 40 FCAB Cc1cc(C)c(CNC(=O)Cc2c(C)nc3nc(N)nn3c2C)c(=O)[nH]1 10459109 VHWZARKLUHZEKN-UHFFFAOYSA-N 355.402 0.487 0 40 FCAB Cn1c(N)c(C(=O)CSc2nccn2-c2ccccc2)c(=O)n(C)c1=O 12731696 PNEJNNLACKMBNE-UHFFFAOYSA-N 371.422 0.827 0 40 FCAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc21 13583304 YLRDTLVEXRPKCI-UHFFFAOYSA-N 351.428 0.346 0 40 FCAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)CN1C(=O)c2ccccc2C1=O 25118343 GQTMYSVCTNTCRP-GFCCVEGCSA-N 356.378 0.963 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)NCCSc2ccccc2)CC1 26146334 CSGNYZJFCJSGSZ-UHFFFAOYSA-N 372.516 0.912 0 40 FCAB CCS(=O)(=O)N1CCC(NC(=O)NCC(=O)NC2CCCCC2)CC1 58325041 XKOCOEPVYVDGCB-UHFFFAOYSA-N 374.507 0.549 0 40 FCAB CN1CCN(C(=O)[C@@H]2CCCN2c2ncc(Br)cn2)CC1 67369170 WUWXJLCZCLFXTM-LBPRGKRZSA-N 354.252 0.982 0 40 FCAB Nc1cc(N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)nc(N)n1 77488613 FJSJTRLTKCHJOU-GOSISDBHSA-N 370.461 0.816 0 40 FCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1ccccn1)C2 96050426 AQQWBPJFCDFMKL-LJQANCHMSA-N 368.441 0.655 0 40 FCAB CCn1cc(-c2noc(CNC(=O)c3cccc(-n4cnnn4)c3)n2)cn1 390831620 SXTQUCYQDUXHBE-UHFFFAOYSA-N 365.357 0.859 0 40 FCAB O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCC[C@@H](O)C2)c[nH]1 521396879 HBIPDDJSGSAJRP-SECBINFHSA-N 356.429 0.869 0 40 FCAB CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(C)(C)C(=O)O)CC1 583997183 XHWPQCBRAUOJKD-UHFFFAOYSA-N 369.443 0.354 0 40 FCAB O=C(NCCCn1ccnc1)C1=NO[C@@]2(CCCN(c3cnccn3)C2)C1 585101244 QFCJMYLALRRKJX-SFHVURJKSA-N 369.429 0.995 0 40 FCAB Cn1c(C(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)cccc1=O 1565550835 IROQLWQPHQGZJM-UHFFFAOYSA-N 367.409 0.835 0 40 FCAB O=C([C@@H]1CCOC1)N1CCOC[C@@]2(C1)CN(c1cccnc1)C(=O)CO2 1565554354 YHFCZTZGNKPTQB-RDTXWAMCSA-N 361.398 0.079 0 40 FCAB Cn1cnc(C(=O)N2CCC[C@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)n1 1614939777 YNHOALNANGBBCN-KRWDZBQOSA-N 369.385 0.600 0 40 FCAB CCN1C(=O)[C@H]2CN(C(=O)c3c(C)noc3C)CCN2C12CCOCC2 1772595307 LJYJUCIWPAMYHT-CQSZACIVSA-N 362.430 0.787 0 40 FCAB O=C([C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)N1CCOCC1 7718181 FKUMUOLINNKBRR-ZDUSSCGKSA-N 363.439 0.706 0 40 FCAB COc1ccccc1[C@H](C)N[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 7785267 SMNLPMWGEQVHPC-WDEREUQCSA-N 360.414 0.597 0 40 FCAB Cn1c(=O)c2c(ncn2CCCC(=O)NCc2ccc(F)cc2)n(C)c1=O 13041648 AQUFSDHAWZZASR-UHFFFAOYSA-N 373.388 0.669 0 40 FCAB Cc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 14122801 QERCBAIKJBAJKH-UHFFFAOYSA-N 370.408 0.865 0 40 FCAB CN(C)CCN(CCCN(CCN(C)C)CCN(C)C)CCN(C)C 19361593 PKZGDTJLZZUXFK-UHFFFAOYSA-N 358.619 0.227 0 40 FCAB C[C@@H](CN1CCOCC1)C(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19456272 GBRTUDAWLIAJFG-JKSUJKDBSA-N 373.501 0.797 0 40 FCAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CCN(C)CC2 19752470 NJEXQSBDYRYZJT-CYBMUJFWSA-N 356.496 0.490 0 40 FCAB NC(=O)c1cnc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 24975732 LLJLWMRECVZYDL-RKDXNWHRSA-N 350.400 0.746 0 40 FCAB COCCCNC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 26129666 ULVWWEWGLCIMNX-UHFFFAOYSA-N 374.319 0.267 0 40 FCAB CCCNC(=O)[C@@H](C)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 29522537 RQWPNQSTWHCTIZ-OAHLLOKOSA-N 357.458 0.727 0 40 FCAB CS(=O)(=O)N1CCN(CC(=O)NCCCOCc2ccccc2)CC1 36022804 OANFGXVJJYUBLP-UHFFFAOYSA-N 369.487 0.287 0 40 FCAB CCOC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 36666254 YCCPTSBCQANCSZ-LBPRGKRZSA-N 370.427 0.528 0 40 FCAB Cn1nc(C(=O)NC[C@@H]2CCCO2)cc1OCC(=O)N1CCCCC1 57355352 BUYPKBJDXGLZTP-ZDUSSCGKSA-N 350.419 0.720 0 40 FCAB C[C@H](Sc1n[nH]c(=O)n1C[C@H]1CCCO1)c1nc(N)nc(N(C)C)n1 58380623 SACGMNMJPGCQTO-DTWKUNHWSA-N 366.451 0.437 0 40 FCAB CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NS(C)(=O)=O)cc1 67896663 HKGCQNYKDSXGMM-GDBMZVCRSA-N 356.444 0.975 0 40 FCAB biogenic,in-vitro Cn1c(=O)[nH]c(=O)c2c1nc(N)n2Cc1ccc(Br)cc1 72226866 BNRGCMSOTJRPCR-UHFFFAOYSA-N 350.176 0.816 0 40 FCAB CC(=O)NC[C@H]1CN(c2ccc(N(CCO)CC(=O)O)c(F)c2)C(=O)O1 77312553 JGOXQNABWWZJSO-LBPRGKRZSA-N 369.349 0.170 0 40 FCAB in-vitro C[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 81118722 OHCDQPYNTADSLR-LLVKDONJSA-N 352.822 0.610 0 40 FCAB Cn1c(=O)c2ccc(C(=O)N3CCC[C@H]3[C@H]3CCCC3=O)nc2n(C)c1=O 95451320 PFWWQRDBACYBRT-RISCZKNCSA-N 370.409 0.606 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)C2CCOCC2)C[C@@]2(CC(=O)N(C)C2)C1 96036087 CADBZWKRPGMKPP-LJQANCHMSA-N 365.474 0.588 0 40 FCAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 96120115 KWQBOJABSBWZJR-CYBMUJFWSA-N 374.484 0.762 0 40 FCAB CCN(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)[C@@H]1CC(=O)NC1=O 103399379 KOCYWWSUKYDLNF-NNNHXZLVSA-N 362.382 0.989 0 40 FCAB CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)Cc1ccc2c(c1)OCO2 262099225 MQMLZDHQMDUXDM-UHFFFAOYSA-N 362.382 0.739 0 40 FCAB CC(C)Cn1nc2n(c(=O)c1=O)C[C@]1(CCN(Cc3ccco3)C1)OC2 306128382 GZAKSOSXHQWCLC-GOSISDBHSA-N 360.414 0.829 0 40 FCAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)n1nc2c(cc1=O)CCC2 575619740 KVBKNGIEOODDRR-JTQLQIEISA-N 362.411 0.579 0 40 FCAB Cc1cn2nc(N[C@@H]3CCN(C(=O)c4n[nH]c5c4CCC5)C3)ccc2n1 579744567 IZEVWZIBIOAGDB-GFCCVEGCSA-N 351.414 1.576 0 40 FCAB Cn1ccc(CC(=O)N2CCOC[C@@]3(CCN(Cc4nccn4C)C3)C2)n1 585113545 FZBLANQCDUUXCR-LJQANCHMSA-N 372.473 0.447 0 40 FCAB CCc1nc(S(=O)(=O)N[C@H](CO)c2cnn(C)c2)cn1CC1CC1 659934603 QUGSRSOXPCDPGL-CYBMUJFWSA-N 353.448 0.601 0 40 FCAB Cn1ccnc1[C@@H]1[C@@H](CNS(=O)(=O)C2CC2)CCC(=O)N1C1CC1 660160476 UTYAILCZDBUOCN-ABAIWWIYSA-N 352.460 0.944 0 40 FCAB Cc1cc(C(=O)N2CCCN(c3ccc4nnc(C)n4n3)CC2)nn1C 1775967067 DGUXLFQQKCYADS-UHFFFAOYSA-N 354.418 0.827 0 40 FCAB CC(C)N1C[C@@]2(COCC1=O)CN(C(=O)CC1CCOCC1)CCO2 2037985711 SVULRQSXQYVTSP-GOSISDBHSA-N 354.447 0.668 0 40 FCAB CCOc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 851771 SAXFCOLKXKXNNA-UHFFFAOYSA-N 357.370 0.471 0 40 FCAB biogenic C[C@H]1CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C[C@@H](C)O1 5272540 AGIDIQZHKUADQV-TXEJJXNPSA-N 352.412 0.857 0 40 FCAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCO 6235057 QFPDHNKEHGCYCA-UHFFFAOYSA-N 350.396 0.975 0 40 FCAB CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 8777241 LGTYMKKYYUXLGP-OAHLLOKOSA-N 365.455 0.908 0 40 FCAB COC(=O)C1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 8939072 QAWNYPMBHMZPHI-SGTLLEGYSA-N 365.430 0.899 0 40 FCAB CCc1cnc2c(c1OC)c(=O)n(CC(=O)NC1CCCC1)c(=O)n2C 9571552 SOKZUELWQNWZTA-UHFFFAOYSA-N 360.414 0.725 0 40 FCAB Cn1nnc2c(N3CCN(C(=O)NCc4cccs4)CC3)ncnc21 13534750 PBMGKETVAKWIMB-UHFFFAOYSA-N 358.431 0.852 0 40 FCAB CCOc1ccc(CN(C)CC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 14240791 FVLFLKCQENLCIQ-UHFFFAOYSA-N 369.487 0.621 0 40 FCAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)COC)c1ccc2c(c1)OCCO2 14398709 GGKIUISSGWBJJE-LBPRGKRZSA-N 372.443 0.765 0 40 FCAB Cc1nonc1CC(=O)N1[C@H]2CC[C@@H]1Cc1nc(N3CCOCC3)ncc12 19558928 NYWSUYWLBAOVTL-WBMJQRKESA-N 370.413 0.836 0 40 FCAB NC(=O)C1CCN(CC(=O)Nc2ccc(N3CCCC3)c3nonc23)CC1 19717620 FTAOISCWSZHJJM-UHFFFAOYSA-N 372.429 0.959 0 40 FCAB CCCCn1c(SCC(=O)N2CCN(C(=O)OCC)CC2)n[nH]c1=O 22615662 SVTBSBHNZYRYFQ-UHFFFAOYSA-N 371.463 0.764 0 40 FCAB CC(C)NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 22795925 LOJWQCIBCMCTRH-MRXNPFEDSA-N 350.438 0.755 0 40 FCAB O=C(NCCc1nnc2ccccn12)[C@H](Cc1ccccc1)n1cnnn1 26303850 ODTBVWMFMCKJEK-HNNXBMFYSA-N 362.397 0.859 0 40 FCAB CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccccc1 39986011 HPOBIJXPKNVQQL-UHFFFAOYSA-N 355.460 0.146 0 40 FCAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 52715808 SYSLPLDBTXCSDY-UHFFFAOYSA-N 369.381 0.846 0 40 FCAB Cc1cc(C)n(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c(=O)n1 72390364 UMQYKLBSONOZHC-UHFFFAOYSA-N 362.411 0.097 0 40 FCAB NC(=O)Cn1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)nn1 79639562 WOWCBBARIOCKRG-UHFFFAOYSA-N 360.393 0.297 0 40 FCAB Cc1ccc(CN(C)C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1 95410931 SFTGJUHWRZGJKP-UHFFFAOYSA-N 357.414 0.877 0 40 FCAB COC(=O)c1cnc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)cn1 95457371 UNPUQSUTIIADFY-VIFPVBQESA-N 364.383 0.402 0 40 FCAB COC(=O)[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)[C@@H](C)O 95945068 CGGUIEZYBCNFND-YGRLFVJLSA-N 356.400 0.014 0 40 FCAB COC(=O)c1cccc(S(=O)(=O)Nc2cnc(C(=O)OC)cn2)c1 97164860 JUXNFFZZTMZZCB-UHFFFAOYSA-N 351.340 0.851 0 40 FCAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCC(=O)N2CCCC2)c2ccccc21 101660836 LARYEHJQFUBHIM-MRXNPFEDSA-N 372.425 0.338 0 40 FCAB CN(C)Cc1cn(C[C@H]2C[C@@H](NC(=O)Nc3ccccc3)[C@H](O)[C@@H]2O)nn1 225510320 FHZXCNHVWDCFAV-YYQUZTFQSA-N 374.445 0.272 0 40 FCAB biogenic,in-vitro O=C(CN1CCOCC1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257218468 DDGFURMJERFWRI-INIZCTEOSA-N 358.442 0.684 0 40 FCAB COc1nc(CNS(=O)(=O)c2cccc3nsnc23)nc(OC)n1 575608535 VBXKHHNZLCODSM-UHFFFAOYSA-N 368.400 0.372 0 40 FCAB Cc1ccc(C[C@@]2(CO)CN(C(=O)Cn3cccnc3=O)CCO2)cc1 585279374 YKIZLVPEIHVJAO-IBGZPJMESA-N 357.410 0.384 0 40 FCAB CC(=O)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)COc1ccccc1)C2 604381779 OCQDILKRDZZXOU-MRXNPFEDSA-N 359.426 0.209 0 40 FCAB biogenic,in-vitro Cn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cnc2n1CCC2 659997346 CCHPGWOXFZZZQK-SMDDNHRTSA-N 351.432 0.619 0 40 FCAB COc1cc(CCNC(=O)c2nn(C)cc2CN2CC[C@H](N)C2)ccn1 685941574 DGNDTKHPLHZYFC-HNNXBMFYSA-N 358.446 0.329 0 40 FCAB O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1146166979 JBGTWHMBPTVMAY-ZIAGYGMSSA-N 370.438 0.881 0 40 FCAB COC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(N3CCCC3)C2)c1 1186561553 FBIDJQZUIIDPQE-UHFFFAOYSA-N 354.428 0.951 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CCC(=O)N3CCN3CCCC3)CC2)n1 1565542029 DHJPBPGDCMZRJE-UHFFFAOYSA-N 360.462 0.508 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cnn(C)c5)C[C@H]4C3)nn12 1888904092 NOVILQCOENZQQX-OKILXGFUSA-N 366.429 0.629 0 40 FCAB O=C(CN1CCCC1)N1CCO[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985124 YHRFTYSTSPKZHZ-FQEVSTJZSA-N 373.453 0.743 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@H](NC(=O)CCc1ccc[nH]1)CC2 2055747588 LCIOKXFCXXMOAU-CQSZACIVSA-N 359.430 0.651 0 40 FCAB COCCC(=O)N1CCC[C@@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055772078 UWQHYHVUMXFQLE-CQSZACIVSA-N 362.352 0.916 0 40 FCAB COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccnc4)CCO3)C2)on1 2055795827 DIRVEUWLDBZPGZ-SFHVURJKSA-N 372.381 0.836 0 40 FCAB CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 3907400 POBAGZNPJVIKGO-UHFFFAOYSA-N 353.356 0.349 0 40 FCAB CC(=O)N[C@H]1[C@@H](Oc2ccc(C(C)(C)C)cc2)O[C@@H](CO)[C@@H](O)[C@@H]1O 4305788 PVZNOMYOMQFDQC-UTSKFRMZSA-N 353.415 0.307 0 40 FCAB NC(=O)CC[C@H](NC(=O)CNC(=O)Nc1ccc(Cl)cc1)C(=O)O 5944905 VIRQXYVTFVBPKS-JTQLQIEISA-N 356.766 0.296 0 40 FCAB CCCn1c(N)c(N(CCOC)C(=O)c2cccc(F)c2)c(=O)[nH]c1=O 6508972 CHAVSFBDTWHQRE-UHFFFAOYSA-N 364.377 0.961 0 40 FCAB COCCN1C(=O)[C@H]2[C@H](C1=O)[C@]1(C(=O)Nc3ccc(C)cc31)N1CCC[C@H]21 9042754 CEUYDHYSQVRLSX-AXHMDWHKSA-N 369.421 0.868 0 40 FCAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCO1 11241868 AGKDLKVJQZUVAK-HNNXBMFYSA-N 354.428 0.503 0 40 FCAB Cc1cc(C)cc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)O)c1 12443256 KONGSAOYTPUMBQ-UHFFFAOYSA-N 357.370 0.879 0 40 FCAB COc1cccc(C(=O)NCCNC(=O)c2nc3nccc(C)n3n2)c1 32909834 NGUJEHXHUNFVEP-UHFFFAOYSA-N 354.370 0.601 0 40 FCAB C[C@@H]1CN(C(=O)CN2CCN(C(=O)NC3CCCCC3)CC2)CCO1 40086101 UHTOTDWTKIRVEF-OAHLLOKOSA-N 352.479 0.894 0 40 FCAB CN1CCN(CCCNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)CC1 44901094 XXVCQRJWVARQIJ-UHFFFAOYSA-N 373.379 0.793 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)c2ccccc2)CC1 54639078 MSZOYCDUPDAESC-GFCCVEGCSA-N 368.459 0.273 0 40 FCAB CCOC(=O)[C@@](C)(O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 95943809 DNFQKEDUDSPRAO-INIZCTEOSA-N 356.444 0.307 0 40 FCAB O=C(NCc1cccnc1)C1=NO[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1 96225826 RURUVXNDEMZDGP-MRXNPFEDSA-N 364.427 0.411 0 40 FCAB CCn1cc(CN2Cc3ccnn3C[C@H](CNS(C)(=O)=O)C2)cn1 306130135 IXFFDYYOPYSUDA-CQSZACIVSA-N 352.464 0.281 0 40 FCAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCO 408709059 OQVHYCVHOGZVGG-UHFFFAOYSA-N 355.394 0.972 0 40 FCAB CC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)O)C[C@@]2(CCOC2)O1 576588965 WFCWDNOGJMJPMX-BDJLRTHQSA-N 370.427 0.807 0 40 FCAB CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCC[C@@H]2CCCO2)cn1 583622128 QSFYCTLSLXZUQB-LSDHHAIUSA-N 370.475 0.953 0 40 FCAB Cc1cc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3cccnc32)n[nH]1 585148589 IXHSMMAROQRBKU-UHFFFAOYSA-N 370.413 1.275 0 40 FCAB Cc1cc(C2CCN(C(=O)C[C@@H]3CS(=O)(=O)CCN3C)CC2)n[nH]1 644407617 FWQQZTLREGPXNG-CQSZACIVSA-N 354.476 0.543 0 40 FCAB CO[C@H]1C[C@@H](CN(C)C)N(c2cc(N3CCc4nc[nH]c4C3)ncn2)C1 685942630 QBMNCUVQAJQTIL-KBPBESRZSA-N 357.462 0.918 0 40 FCAB O=C(NC1CCC1)c1nnc2n1C[C@@]1(CCN(C(=O)CCF)C1)OC2 1565553609 GAXOBSHZDLKYJF-INIZCTEOSA-N 351.382 0.421 0 40 FCAB CCC/C=C/C=C/C1=C(CO)[C@@H]2O[C@H](C(C)(C)O)C[C@]2(O)[C@@H](O)[C@H]1O 1772591158 JNZPJFJLCQONRT-PEGCWTFKSA-N 354.443 0.583 0 40 FCAB Cn1cccc(C(=O)NCC2(N3CCSCC3)CCOCC2)c1=O 1888834239 IUNVQMJJCMVBJP-UHFFFAOYSA-N 351.472 0.713 0 40 FCAB COC(=O)N[C@H]1CSC[C@@H]1OC(=O)CN1C(=O)c2ccccc2C1=O 1427464 LQFFEUFPCVWAOA-RYUDHWBXSA-N 364.379 0.666 0 40 FCAB COC(=O)[C@@H](C)Sc1nc(C2CC2)nc2c1c(=O)n(C)c(=O)n2C 4139089 USHFTGYCPOWQRU-SSDOTTSWSA-N 350.400 0.558 0 40 FCAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O 5317337 INHBBLAAKUFQTQ-JFGNBEQYSA-N 359.423 0.761 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 5428145 OCWQLTDHUPNIFV-SSDOTTSWSA-N 364.326 0.684 0 40 FCAB COc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCOCC3)N2)c(OC)c1 6661845 WUHCTAFFAUJYAS-CYBMUJFWSA-N 362.386 0.219 0 40 FCAB CC(=O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2cccnc2)nn1 8254164 LPMQPAGVCNYNNG-BBWFWOEESA-N 368.441 0.903 0 40 FCAB biogenic,in-vitro CCC1CCC2(CC1)NC(=O)N(CC(=O)NCC(=O)NC(C)C)C2=O 8503545 JFFIUIWRCYTNHG-UHFFFAOYSA-N 352.435 0.518 0 40 FCAB Nc1cc(N)nc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1 9662800 NPEVJEZTPGPKRV-UHFFFAOYSA-N 354.417 0.019 0 40 FCAB C[C@H]1CN(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)CCO1 10611752 XOWUZIOXGALRSJ-BLLLJJGKSA-N 370.409 0.878 0 40 FCAB CCC(=O)Nc1ccc(S(=O)(=O)NCCn2ncccc2=O)cc1 11856398 GHWAVQSVAVYNKS-UHFFFAOYSA-N 350.400 0.570 0 40 FCAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC(C)C 11904207 GJKXZNZSYMNXAH-UHFFFAOYSA-N 362.429 0.448 0 40 FCAB Cc1oc([C@H](O)[C@@H](O)[C@@H](O)CO)cc1C(=O)OCC(=O)c1ccccc1 12616380 GFMKOHHWLHDAFJ-JQFCIGGWSA-N 364.350 0.375 0 40 FCAB Cc1c(NC(=O)CS[C@H]2CCS(=O)(=O)C2)cccc1-n1cnnn1 14230440 STTOLAYILJFERD-NSHDSACASA-N 367.456 0.830 0 40 FCAB CS(=O)(=O)N1CCN(c2nc(NCCO)c3ccccc3n2)CC1 26697796 CUCXRUUKNZMQQT-UHFFFAOYSA-N 351.432 0.116 0 40 FCAB CC(=O)c1cccc(S(=O)(=O)NCCNC(=O)c2snnc2C)c1 28249642 SMUBYBPFECTZNM-UHFFFAOYSA-N 368.440 0.757 0 40 FCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35485408 PJRFPGAZODKYNO-HGLVMOSISA-N 357.410 0.586 0 40 FCAB CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(O)cc1 36354475 IINPCHNYZARNJI-OCCSQVGLSA-N 369.443 0.842 0 40 FCAB O=S(=O)(c1ccc(F)cc1Br)N1CCN(CCO)CC1 37574116 OQNDHVUTBCTPNK-UHFFFAOYSA-N 367.240 0.887 0 40 FCAB COC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1)C(C)C 40282863 TWKDLFMDNFOBPZ-ZDUSSCGKSA-N 360.374 0.223 0 40 FCAB O=S(=O)(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1cccnc1 43961375 HBOGXKJQEYLMQD-UHFFFAOYSA-N 359.473 0.564 0 40 FCAB O=C(NCCCNC(=O)c1ccccc1F)N[C@H]1CCS(=O)(=O)C1 67920455 KJVYKAYLNDNWIT-NSHDSACASA-N 357.407 0.432 0 40 FCAB CN1CCO[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)C1 72311830 GFPABGSSTQWXKI-OAHLLOKOSA-N 369.443 0.446 0 40 FCAB CN1CCO[C@@H](C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)C1 76092669 ZBGVRWFZCIGEAC-MRXNPFEDSA-N 367.471 0.287 0 40 FCAB NS(=O)(=O)c1ccc(N2CCN(C(=O)NCc3ccco3)CC2)cc1 79011818 ZXKFRQUZNOORHH-UHFFFAOYSA-N 364.427 0.959 0 40 FCAB Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)n[nH]1 95476211 OTDXVRLCCVPZFN-UHFFFAOYSA-N 366.447 0.144 0 40 FCAB CC(=O)NCC(=O)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244302 KURPQIULMNVDDO-LJQANCHMSA-N 367.409 0.675 0 40 FCAB C[C@H]1Oc2ccc(S(=O)(=O)NCC(=O)N3CCCCC3)cc2NC1=O 227168441 MRKFMKRTMYNXFF-LLVKDONJSA-N 367.427 0.697 0 40 FCAB COc1cc(N2CC3(CC[C@@H](CNS(=O)(=O)C4CC4)CO3)C2)ncn1 247876768 HINZTUOFDQPJJW-LBPRGKRZSA-N 368.459 0.552 0 40 FCAB C[C@@]12C=C(Cl)[C@@](Cl)([C@H](C(=O)O)[C@@H]1C(=O)O)[C@@H](C(=O)O)[C@@H]2C(=O)O 253476385 GAUWFYWDNGIVSY-BDTHUAPASA-N 367.137 0.923 0 40 FCAB CNc1cc(N2CCC[C@](O)(CNC(=O)c3ncccc3C)C2)ncn1 257213831 CJFYCNVCBIOHFV-SFHVURJKSA-N 356.430 0.983 0 40 FCAB COCCN1C(=O)CO[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C[C@@H]21 257242380 ICEVZLXZWSONHO-JKSUJKDBSA-N 350.390 0.843 0 40 FCAB Cc1c(CCC(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)cnn1C 257253431 JYXUCHQHSGKVCC-SFHVURJKSA-N 358.446 0.599 0 40 FCAB C[C@H](Oc1ccc2c(c1)CCCNC2=O)C(=O)N[C@H]1CCS(=O)(=O)C1 270893661 HWOSPUVTWKMJDQ-AAEUAGOBSA-N 366.439 0.433 0 40 FCAB Cc1cnc(C(=O)N2Cc3ccnn3C[C@H](Oc3ncccn3)C2)cn1 306141906 WJSXREGEOGOVCQ-CQSZACIVSA-N 351.370 0.875 0 40 FCAB Cc1c([C@@H]2[C@@H](C(=O)NCCNc3ccccn3)CC(=O)N2C)cnn1C 582040014 LIEPSLCLZUGTFU-GUYCJALGSA-N 356.430 0.871 0 40 FCAB CC(C)(C)n1nnc(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)n1 668714282 QJCNVEKQVBAYOZ-UHFFFAOYSA-N 354.374 0.965 0 40 FCAB O=C1N[C@@H](C(F)(F)F)CC[C@@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 670405479 HPZBMMRQXCHKOD-DTWKUNHWSA-N 362.308 0.938 0 40 FCAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)CC[C@@H]21 1565545419 HUNHTPLQQFXNNE-JKSUJKDBSA-N 369.897 0.790 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCOC[C@@]2(C1)CN(c1ccoc1)C(=O)CO2 1565545926 OZVOBKZXGZDERL-YQYZPQCESA-N 362.382 0.133 0 40 FCAB O=C(NC1CC1)[C@@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCO1 1889091592 HFGMPWFJDRPAKG-VIFPVBQESA-N 356.308 0.627 0 40 FCAB O=C(NC[C@H]1OC[C@@H]2CCN(S(=O)(=O)C3CC3)C[C@H]12)c1cscn1 2055718054 YHKRZVGFYNYVPX-VHRBIJSZSA-N 371.484 0.702 0 40 FCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1cccs1 2332241982 CICXNDFYUBJSKG-DZKIICNBSA-N 364.471 0.174 0 40 FCAB CC(=O)N[C@H]1C[C@H]2CN(CCC(C)C)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242013 NMJFWRWPYBBELI-ULQDDVLXSA-N 364.490 0.349 0 40 FCAB CSCSC[C@H](CO)NC(=O)/C(C)=C/c1c(C)[nH]c(=O)[nH]c1=O 1743869 PHNDAAHKXMCWTN-GOJXHPMJSA-N 359.473 0.306 0 40 FCAB CC[C@H](CO)NC(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4479781 KRSQNXRPSBAALO-NEPJUHHUSA-N 351.403 0.879 0 40 FCAB O=C(COC(=O)CCNC(=O)c1ccco1)NC(=O)NCc1ccccc1 6549423 DZDXCCOPOPKPGO-UHFFFAOYSA-N 373.365 0.969 0 40 FCAB COc1ccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 7182528 XRODNJIJOFFTBC-JTQLQIEISA-N 357.384 0.164 0 40 FCAB O=C(CSc1nnc(C2CC2)n1C1CC1)N[C@@H]1CCS(=O)(=O)C1 8250172 FRLQVSTUUADDRV-SNVBAGLBSA-N 356.473 0.886 0 40 FCAB O=C(CNC(=O)C(=O)NCc1ccccc1)Nc1ccc2c(c1)OCO2 8405231 DTPNYIDOFCKVED-UHFFFAOYSA-N 355.350 0.786 0 40 FCAB Cc1cccc(C)c1N(CC(=O)N1CCN(C=O)CC1)S(C)(=O)=O 10283536 ANYUSHAPIRGNMF-UHFFFAOYSA-N 353.444 0.370 0 40 FCAB Cc1cccn2c(=O)cc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)nc12 12981103 HMZPINFBIVLDFJ-UHFFFAOYSA-N 374.422 0.463 0 40 FCAB CC(=O)N[C@@H](C)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 12983974 USQVOTMIYSIPIC-ZDUSSCGKSA-N 367.471 0.789 0 40 FCAB CC(C)NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2nn(C)cc21 21713891 QPLPLWFBXFAVPE-UHFFFAOYSA-N 373.388 0.609 0 40 FCAB COc1ccc(N2C[C@@H](NC(=O)N3CCN(CCO)CC3)CC2=O)cc1 22664469 ROSSNDZSHUFFGL-AWEZNQCLSA-N 362.430 0.120 0 40 FCAB CC(C)NC(=O)NC(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1 29676948 HGGOHIZYZAXCOP-OAHLLOKOSA-N 367.494 0.239 0 40 FCAB CCCCCCOc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 38824035 LVAOZUORXSNKMB-UYTYNIKBSA-N 356.415 0.824 0 40 FCAB CS(=O)(=O)NCCC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 42749382 YEVAQRJPJINMQM-LBPRGKRZSA-N 355.464 0.607 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 47636016 KYPNXFPTFKHKNE-DOTOQJQBSA-N 350.463 0.433 0 40 FCAB O=C(C[C@H](CN1CCN(CCO)CC1)C(=O)O)Nc1cccc(O)c1 71283360 YNAAKVLXNNIJCF-CYBMUJFWSA-N 351.403 0.032 0 40 FCAB Cn1nc(N2CCC[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)C2)ccc1=O 85470890 XSYFQOOEIGKVMC-GFCCVEGCSA-N 352.398 0.934 0 40 FCAB CC(C)[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(N)=O 95457539 INSWNGIVOZXBTQ-MRVPVSSYSA-N 374.893 0.593 0 40 FCAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1 223369232 NKMBNRKUBPFLNA-UHFFFAOYSA-N 374.371 0.972 0 40 FCAB CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1=O 225380135 KZDWDQVTUASWTO-SJORKVTESA-N 357.454 0.845 0 40 FCAB biogenic,in-vitro CC/C=C\C[C@H]1[C@@H](CC(=O)O)CC[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253529563 GJZJZRWFRZFTEE-QPICVTNUSA-N 374.430 0.029 0 40 FCAB biogenic,in-vitro Cc1c(C(=O)N2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)c2ccccc2n1C 257279639 OHNIAUFAKWEMCH-TZMCWYRMSA-N 351.428 0.221 0 40 FCAB O=C(Cn1cc(Cl)cn1)NC[C@]1(O)CCCN(c2ncccn2)C1 257339843 ZDLGGVDZEBUMDR-OAHLLOKOSA-N 350.810 0.474 0 40 FCAB Cc1ccccc1C[C@H](CO)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 573448454 IORVUEWSPPUTLS-HUUCEWRRSA-N 356.488 0.979 0 40 FCAB Cc1snnc1C(=O)N1C[C@@H]2COC[C@]2(CNC(=O)CC2CC2)C1 585108245 CAXHOXXQKHMFNP-WBMJQRKESA-N 350.444 0.851 0 40 FCAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCN2C(=O)CNC2=O)C1 603528327 UUJMBBFETLZTIR-HIFRSBDPSA-N 359.430 0.673 0 40 FCAB O=C(Nc1ccn([C@@H]2CCNC2)n1)c1ccc(C(=O)N2CCOCC2)cc1 638184607 YUEJSSBZWBAGNC-MRXNPFEDSA-N 369.425 1.142 0 40 FCAB Cc1ccccc1OCCN(C)C(=O)C[C@@H]1CS(=O)(=O)CCN1C 644263612 MNBBSSUFSWVOPP-OAHLLOKOSA-N 354.472 0.951 0 40 FCAB CN(C)CCOC[C@@H]1CN(C(=O)C2CC(F)(F)C2)Cc2nnn(C)c21 1614934803 NTSMLAFGIOVZFI-LBPRGKRZSA-N 357.405 0.864 0 40 FCAB CCOC(=O)CNC(=O)Cn1cnc2c(cnn2-c2ccccc2C)c1=O 4479041 WJKCEJDGECGLSH-UHFFFAOYSA-N 369.381 0.570 0 40 FCAB O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)N1CCCC1 5229059 DBDQKDWBEVQIDF-UHFFFAOYSA-N 371.484 0.817 0 40 FCAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCS(=O)(=O)C1 6790638 CWLVQDXMPPQQSZ-LLVKDONJSA-N 355.807 0.297 0 40 FCAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(N)=O 7772305 ZYNRCNVXUTVQIN-SKDRFNHKSA-N 353.400 0.167 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H](C(=O)O)c1ccc(O)cc1 8879560 JZYPCYHRVNFKDS-OAHLLOKOSA-N 369.333 0.338 0 40 FCAB biogenic COc1cc(C)c(Br)cc1S(=O)(=O)N(CCO)CCO 11566246 OVURFYUIEXILPW-UHFFFAOYSA-N 368.249 0.741 0 40 FCAB Cc1nonc1CC(=O)N1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 19558925 NYWSUYWLBAOVTL-BLLLJJGKSA-N 370.413 0.836 0 40 FCAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)COC)CC2 19711080 QNGYJHJGBZFUNR-UHFFFAOYSA-N 361.446 0.775 0 40 FCAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 22584687 HGAVJENEOGOUSY-CQSZACIVSA-N 357.458 0.608 0 40 FCAB CCCNC(=O)[C@H](C)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 29522538 RQWPNQSTWHCTIZ-HNNXBMFYSA-N 357.458 0.727 0 40 FCAB CO[C@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1 105154068 STNNWPKHRBGYMO-RWCKYSFHSA-N 356.371 0.674 0 40 FCAB biogenic,in-vitro CS(=O)(=O)NCC[C@@H]1CCOC12CN(C(=O)Cc1cccs1)C2 247536013 QLEUXQWJXIIACR-GFCCVEGCSA-N 358.485 0.847 0 40 FCAB CCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1 409388978 FXKFGGBJKRFDRX-UHFFFAOYSA-N 367.471 0.641 0 40 FCAB CC(C)C(=O)N1CC2(CN(C(=O)c3ccccc3)C[C@H]3C[C@@H](O)CN32)C1 514289446 LEQWRXCQLXSEPC-IAGOWNOFSA-N 357.454 0.815 0 40 FCAB biogenic,in-vitro O=C1[C@@H](NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C[C@H]2CCCCN12 518136127 IDYIVEXINGSRDE-KCJUWKMLSA-N 369.374 0.692 0 40 FCAB O[C@H]1CN(Cc2ccc(OCCn3cccn3)cc2)C[C@@H]1N1CCOCC1 585270038 CJBCQQKLPQFOSQ-PMACEKPBSA-N 372.469 0.839 0 40 FCAB O=C1[C@@H]2Nc3nc(N4CCOCC4)nc(O)c3[C@H]2C(=O)N1c1ccccc1 618257281 UAPKHHLJBGOBQQ-DGCLKSJQSA-N 367.365 0.470 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(Cc2ccc(N(C)CCOC)nc2)C1 643757316 MHINPELROHGPBA-SFHVURJKSA-N 350.463 0.627 0 40 FCAB O=C(N[C@@H](Cc1ccncc1)C(=O)O)C1CCN(c2cnccn2)CC1 655602490 ZFVUSZXUNMFAFY-HNNXBMFYSA-N 355.398 0.900 0 40 FCAB CN(C1CN(c2ccc3nncn3n2)C1)S(=O)(=O)C1CCCCC1 952993260 JONLULBRYHJHPB-UHFFFAOYSA-N 350.448 0.907 0 40 FCAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NC(=O)Nc2cccnc2)nn1 1549162325 UAMNJQBYRGJHAT-GZBFAFLISA-N 360.418 0.921 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)N1[C@H](C(=O)N(C)C)C[C@@H]2OCC[C@@H]21 1615588586 CHOMXIHIDPVEAC-OBJOEFQTSA-N 372.418 0.843 0 40 FCAB Cc1cc(C)n(-c2ccc(N3CCN(CC4(O)CCOCC4)CC3)nn2)n1 2298187885 XLSMLGHBEASUTM-UHFFFAOYSA-N 372.473 0.943 0 40 FCAB COc1cccc([C@@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)c1 4495857 CNIZNABCHPGHTD-GFCCVEGCSA-N 355.350 0.461 0 40 FCAB CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 5087135 BQOQARRHYGYKHX-GFCCVEGCSA-N 353.379 0.125 0 40 FCAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ccccn2)CC1 7988866 KIELUWYWPBPTOV-UHFFFAOYSA-N 371.441 0.985 0 40 FCAB CS(=O)(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1 11392186 FPEIKCZBKNFRHR-UHFFFAOYSA-N 353.429 0.775 0 40 FCAB Cc1ccc(N2CCn3c2nnc(C(=O)NCCCN(C)C)c3=O)cc1 12233703 SOWSYFXCWHQFSZ-UHFFFAOYSA-N 356.430 0.780 0 40 FCAB O=CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 12323015 CROJZAODRZRNFK-SFHVURJKSA-N 366.421 0.723 0 40 FCAB CC(=O)c1ccc(N2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)cc1 12515841 ILLDZDBCJYISER-HNNXBMFYSA-N 358.398 0.526 0 40 FCAB O=S(=O)(c1ccc(CNc2ccc3nnnn3n2)s1)N1CCCC1 12856742 MRCCCWFQYKTXBG-UHFFFAOYSA-N 365.444 0.977 0 40 FCAB CN(C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)[C@H]1CCS(=O)(=O)C1 14136238 WLULWMWEQZMEFZ-LBPRGKRZSA-N 369.374 0.288 0 40 FCAB COCCCN(C(=O)[C@@H]1CCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14250517 ALZUPJMPXRRQDU-LBPRGKRZSA-N 368.434 0.323 0 40 FCAB CCCCSC[C@@H](NC(=O)/C=C\c1c(C)[nH]c(=O)[nH]c1=O)C(=O)OC 17022839 DMGBMAFCALOMMR-ZHRWSRJISA-N 369.443 0.576 0 40 FCAB CS(=O)(=O)N1CCCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 24780055 FVGAEPYRHQKDCF-UHFFFAOYSA-N 354.428 0.842 0 40 FCAB COC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 25856987 HHTXWVCVGJEJPO-UHFFFAOYSA-N 354.384 0.942 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 40024868 NNTWXGDNYYNVNQ-CYBMUJFWSA-N 369.491 0.010 0 40 FCAB Cc1nc(S(=O)(=O)NCC(=O)NCc2ccc(Cl)cc2)cn1C 58172390 ONNBXHPPRQYNRT-UHFFFAOYSA-N 356.835 0.977 0 40 FCAB CCn1cc([C@H]2C[C@@H](C(=O)NC(C)(C)C)N(C)S(=O)(=O)N2)c(C)n1 72335032 PEQYEWWXRMTZSX-OLZOCXBDSA-N 357.480 0.706 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)NCCc3nc4c(s3)CCCC4)cnc21 84310703 BZBNGULRUGEJBH-UHFFFAOYSA-N 372.454 0.824 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1cccnc1)C2 96050367 JNQHDFFBNGQPSJ-SFHVURJKSA-N 354.414 0.378 0 40 FCAB NC(=O)CNC(=O)COc1nn(-c2ccccc2)cc1Br 227151342 FRLTVIQJCQDYFR-UHFFFAOYSA-N 353.176 0.615 0 40 FCAB CS(=O)(=O)CC(=O)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 247501805 FQKIFFOIJPSCCS-SNVBAGLBSA-N 360.432 0.731 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCO)Cc1ccc(Cl)c(Cl)c1 408613827 WDGKSXSFIRANJL-UHFFFAOYSA-N 355.243 0.864 0 40 FCAB O=C1CN(C(=O)CCCC(=O)N2CCN(Cc3ccccc3)CC2)CCN1 604419263 CBSOYXPCUPVAPX-UHFFFAOYSA-N 372.469 0.460 0 40 FCAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1=O 1565549537 ZEYUDCXMEJMZAP-KBXCAEBGSA-N 355.398 0.282 0 40 FCAB Cc1nc(N2CCN(c3nccn(C)c3=O)CC2)cc(-n2cccn2)n1 1889136141 WEYZBRLNRVOWQT-UHFFFAOYSA-N 352.402 0.391 0 40 FCAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)Cn2ccnn2)C1 2055754589 GFMIZHGYSAHLCC-SFHVURJKSA-N 356.430 0.840 0 40 FCAB O=C(NCc1ccco1)[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]2OCC[C@H]21 2055772191 GBAGYPJTKZZKDK-RRFJBIMHSA-N 354.428 0.725 0 40 FCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCCCCC(=O)O)ccc21 5013546 AIESHRDBXCIXGV-UHFFFAOYSA-N 355.416 0.800 0 40 FCAB O=C1NC(=S)NC(=O)C1=C1C(=O)Nc2ccc(Br)cc21 5344563 FKXFBXUBDBCHSM-UHFFFAOYSA-N 352.169 0.686 0 40 FCAB O=C(COC(=O)Cc1c[nH]c2ccccc12)N[C@H]1CCS(=O)(=O)C1 6384019 YJPQGPWAFCURSZ-LBPRGKRZSA-N 350.396 0.557 0 40 FCAB CCN(C(=O)Cn1nnc(-c2cccs2)n1)[C@H]1CCS(=O)(=O)C1 6589695 KSZIGYBECRMEBL-JTQLQIEISA-N 355.445 0.437 0 40 FCAB Cc1ccc(OCCNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 7780333 DGDXFXWVVFLQSB-UHFFFAOYSA-N 361.423 0.988 0 40 FCAB COCCNC(=O)Cn1c(=O)[nH]c2sc3c(c2c1=O)CC(C)(C)OC3 9065419 ABWXDZXOUFHMNB-UHFFFAOYSA-N 367.427 0.365 0 40 FCAB CCNC(=O)[C@H](C)NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 11410840 PRVGYDXCEWEXRD-LBPRGKRZSA-N 355.460 0.808 0 40 FCAB CN(Cc1ccccc1Br)C(=O)Cn1ccc(=O)[nH]c1=O 12913289 USDDUWBVFMCUPR-UHFFFAOYSA-N 352.188 0.958 0 40 FCAB O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1)c1cnccn1 20732190 FNVMZEWYZZJGEF-UHFFFAOYSA-N 352.354 0.263 0 40 FCAB CC(C)(C)NC(=O)CNC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 24085156 SCXWRMFHWGTOSQ-UHFFFAOYSA-N 352.435 0.662 0 40 FCAB CS(=O)(=O)N1CCN(CC(=O)N2CCCc3cccc(F)c32)CC1 25084627 LDTHECTZMNAMKA-UHFFFAOYSA-N 355.435 0.682 0 40 FCAB CN(Cc1ccccc1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 26993742 SVAREZYLKZPGON-AWEZNQCLSA-N 363.439 0.811 0 40 FCAB O=C1CN(C(=O)CCCC(=O)Nc2nnc([C@@H]3CCCO3)s2)CCN1 40287755 KIGBSQTZVMCDRA-JTQLQIEISA-N 367.431 0.457 0 40 FCAB C[C@H](Cn1cccn1)NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 56053094 VOOSHWOMDSIGIX-GFCCVEGCSA-N 351.432 0.814 0 40 FCAB COCCn1nnnc1[C@@H](c1ccccc1OC)N1CCC(C(N)=O)CC1 57670117 SRDHAVLGODPEHO-MRXNPFEDSA-N 374.445 0.615 0 40 FCAB CCOC(=O)/C=C\C(=O)N1CCN(C(=O)/C=C/C(=O)OCC)C[C@H]1C 104218740 XGKXDXRFGLBGBN-MLBZZJCSSA-N 352.387 0.284 0 40 FCAB Cc1nn(C)cc1CN1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 108532573 SUMPMHJMBFZESI-HNNXBMFYSA-N 356.492 0.791 0 40 FCAB N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O 204795311 PVCLSZDVATUGHR-XJDZXMJWSA-N 359.350 0.777 0 40 FCAB in-vitro CN(C)c1ccnc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 224195877 RMVPAYFGRVEVOK-UHFFFAOYSA-N 350.400 0.792 0 40 FCAB O=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1cccc(F)c1 224223245 LDLQGFZGHNJXIJ-UHFFFAOYSA-N 352.391 0.931 0 40 FCAB Cc1csc(CN2CC3(C2)CN(C)[C@@H](C(=O)N2CCCO2)CO3)n1 248029046 NQGODAYPYPKQDX-CYBMUJFWSA-N 352.460 0.500 0 40 FCAB CCS(=O)(=O)c1ccc(CNC(=O)[C@H](C)N2CCN(C)CC2)s1 331003820 KTVLMNMJQPSXEV-LBPRGKRZSA-N 359.517 0.794 0 40 FCAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)COC)cc1 408600852 CVGKBCAGLHRMGZ-LBPRGKRZSA-N 360.432 0.141 0 40 FCAB COCCNC(=O)[C@@H]1COC2(CN(C(=O)c3cccc(C)c3)C2)CN1C 575405873 VIVZTJGMOZDDHW-INIZCTEOSA-N 361.442 0.283 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)NCCN[C@@H]1CCS(=O)(=O)C1 575420512 CKJRETFKAZZAKL-GFCCVEGCSA-N 362.473 0.059 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 575423446 QOXDFMRRQOZYBO-AWEZNQCLSA-N 360.457 0.178 0 40 FCAB COCc1n[nH]c(CNC(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)n1 664395048 JDNQMAFOCOZLGZ-LLVKDONJSA-N 374.401 0.564 0 40 FCAB Cc1nc(N2CC[C@H](N(C)S(=O)(=O)C3CC3)C2)c2cnn(C)c2n1 1888856751 KHFCUQJXYGDODW-NSHDSACASA-N 350.448 0.674 0 40 FCAB COCCN1C(=O)CN(C2CCN(c3ncnc4c3ncn4C)CC2)C1=O 1888866611 GYHGRQPVRFYMLB-UHFFFAOYSA-N 373.417 0.243 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1=NCCS1 2646328 VPRZAOBRBLCJHL-UHFFFAOYSA-N 369.468 0.849 0 40 FCAB OC[C@@H]1O[C@H](n2cc(Br)c3c(Cl)ncnc32)[C@H](O)[C@@H]1O 4946458 CUKHVEVYOJENQF-POYYFJLXSA-N 364.583 0.459 0 40 FCAB C[C@]12CS(=O)(=O)C[C@H]1SC(=S)N2[C@]1(C)CCS(=O)(=O)C1 5677638 WMKJDMHAWLNELT-IEBDPFPHSA-N 355.528 0.453 0 40 FCAB COc1ccc(C(=O)OCCNC(C)=O)cc1S(=O)(=O)NC1CC1 8313549 SJDHIUQVBGLGKA-UHFFFAOYSA-N 356.400 0.429 0 40 FCAB Cc1ncc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)c(C)n1 12235067 QNZJESWOWPQXKJ-UHFFFAOYSA-N 354.414 0.919 0 40 FCAB CC[C@]1(c2ccc(NC(=O)C(=O)NC[C@@H](C)O)cc2)CCC(=O)NC1=O 13683846 ZNOMPDGVCLQMCG-ADLMAVQZSA-N 361.398 0.207 0 40 FCAB COC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 14674132 LUVMEDPDJJUVKK-LLVKDONJSA-N 357.384 0.426 0 40 FCAB O=C(NC[C@H]1CCCO1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 16850984 MRHCMWUDSCUXGJ-VXGBXAGGSA-N 353.444 0.640 0 40 FCAB O=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)n1)[C@H]1CCCO1 19291966 UOIJSWHVNFCOIC-OAHLLOKOSA-N 361.446 0.725 0 40 FCAB Cc1cc(NC(=O)C2CCN(CCN3C(=O)NC(C)(C)C3=O)CC2)no1 26912886 BUCMLPPWGRCUSD-UHFFFAOYSA-N 363.418 0.964 0 40 FCAB CCOC(=O)c1cn[nH]c1S(=O)(=O)NC1(C(=O)OC)CCCCC1 32900148 OGPXZAHGQOBHIL-UHFFFAOYSA-N 359.404 0.741 0 40 FCAB Cc1ccc(C(=O)NCCn2ccc(C)n2)c(N2CCN(CCO)CC2)n1 43277657 CDVMRLPLRWTTPC-UHFFFAOYSA-N 372.473 0.439 0 40 FCAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 61719186 GOLVZHHDIRMQKB-CYBMUJFWSA-N 359.430 0.416 0 40 FCAB O=C(O)c1nccnc1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 71288126 GIHVJBXETNMHLX-UHFFFAOYSA-N 362.367 0.967 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Sc2ncccn2)ccn1 72243472 KIEMNWVAYGOIDC-JTQLQIEISA-N 350.425 0.940 0 40 FCAB CC(C)(C)NC(=O)Cn1nc2n(c1=O)-c1ccccc1C1=NCCCN12 72342155 YNPXSUNBIHPAPN-UHFFFAOYSA-N 354.414 0.919 0 40 FCAB COc1ccc(-n2nnc(C(=O)N3CCN(C(=O)C4CC4)CC3)n2)cc1 75163511 QDENUYAPXUVDFH-UHFFFAOYSA-N 356.386 0.365 0 40 FCAB Cc1cc(O)cc(=O)n1CCC(=O)NC[C@@H](C(C)C)N1CCOCC1 95964561 UUWYSXSTUXPXRR-INIZCTEOSA-N 351.447 0.725 0 40 FCAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NC4CCN(C)CC4)O[C@@H]3C2)nn1 96066210 ROEHKMDTYWDOBN-BHYGNILZSA-N 359.474 0.979 0 40 FCAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1OC 243682738 PHRRTWRGWDQEFP-NSHDSACASA-N 363.457 0.902 0 40 FCAB CC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)C[C@H]1C(=O)N(C)C 257218367 DCWOKXGKAHKWCA-SFHVURJKSA-N 372.469 0.587 0 40 FCAB COCCN1C(=O)CO[C@@H]2CCN(S(=O)(=O)c3ccccc3)C[C@@H]21 257287977 PSGXEPJYARTMOU-LSDHHAIUSA-N 354.428 0.323 0 40 FCAB C[C@H](C(=O)N1CCC(Oc2cnccn2)CC1)n1cnc2c(N)ncnc21 614126654 RVILTCWSMVYSCK-LLVKDONJSA-N 368.401 0.830 0 40 FCAB CC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594946 JKTBPEMABYEYIC-JFIYKMOQSA-N 363.506 0.435 0 40 FCAB CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@H]12 2055713618 OHSHCXNKRGOAKJ-CMPLNLGQSA-N 361.789 0.903 0 40 FCAB O=C(NCc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(S(=O)(=O)C2CC2)C1 2055746419 AOKMDDLYIZHNKA-NUEKZKHPSA-N 365.455 0.669 0 40 FCAB COc1cccc(-c2nnnn2[C@H]2CO[C@@H]3[C@@H](NC(=O)C4CC4)CO[C@H]23)c1 4270619 SJHHFJASZVIDIY-CAOSSQGBSA-N 371.397 0.582 0 40 FCAB biogenic,in-vitro O=C1CN(C(=O)COC(=O)CNC(=O)c2ccccc2)c2ccccc2N1 5715434 LWOFJPJNBDQBMW-UHFFFAOYSA-N 367.361 0.945 0 40 FCAB COCCN(C(=O)c1ccco1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 6553404 UGDZSKZBAVOVHM-UHFFFAOYSA-N 350.375 0.661 0 40 FCAB CCOC(=O)C1=C(CN2C[C@@H](C(=O)NC)Oc3ccccc32)NC(=O)NC1 7254630 OLDHBHSFZNDBNL-HNNXBMFYSA-N 374.397 0.130 0 40 FCAB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1C 8942802 FFLYSHFIBKMRKZ-UHFFFAOYSA-N 351.428 0.937 0 40 FCAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1C(=O)NC2(CCCC2)C1=O 12599111 JRZJTSUSVGUBPX-CQSZACIVSA-N 370.409 0.290 0 40 FCAB Cc1cc(N2CCCC2)nc(C2CCN(C(=O)Cn3cnnn3)CC2)n1 13225782 USLOLIHXJFCBFG-UHFFFAOYSA-N 356.434 0.778 0 40 FCAB COc1ccc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1Cl 14197151 JJDODNFVSOQOMQ-UHFFFAOYSA-N 361.851 0.864 0 40 FCAB Cc1csc2nc(CN3CCCN(S(C)(=O)=O)CC3)cc(=O)n12 24923153 ZKAJYJBKHKXHPF-UHFFFAOYSA-N 356.473 0.532 0 40 FCAB COc1ccc(N2C[C@@H](C(=O)Nn3cnnc3S)CC2=O)cc1OC 30564124 LORPEIGCZVSMIT-VIFPVBQESA-N 363.399 0.707 0 40 FCAB O=C1CSc2ccc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2N1 35336338 HJWRCQQZZCRLIQ-UHFFFAOYSA-N 374.466 0.767 0 40 FCAB C[C@H]1CN(Cn2nc(C[C@H]3CCS(=O)(=O)C3)n(C)c2=S)CCO1 36390059 LDPKYTWRCPVFML-NWDGAFQWSA-N 360.505 0.606 0 40 FCAB COCC(=O)N1CCN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)CC1 40122354 UCMRQHFATWSDTF-UHFFFAOYSA-N 366.414 0.572 0 40 FCAB Cn1cnnc1[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 48366483 PTRQFWZSSAVRCQ-HZPDHXFCSA-N 366.429 0.992 0 40 FCAB Cc1nccc(CNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)n1 57074486 BUHQCAMSOUCGNW-CQSZACIVSA-N 355.464 0.788 0 40 FCAB Cn1c(C(F)(F)F)nn(CCNC(=O)c2cnc3ccccc3n2)c1=O 90590906 UEBGUVRCBDENPH-UHFFFAOYSA-N 366.303 0.974 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(C(=O)N(C)C)CCN(S(=O)(=O)C1CC1)C2 96036244 ZRWSKNZQFVZUCV-INIZCTEOSA-N 372.491 0.016 0 40 FCAB Cc1cccc(N2CCOC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CO3)n1 96240212 PCSBWMRUFYERDZ-SFHVURJKSA-N 357.414 0.762 0 40 FCAB O=S1(=O)CC[C@H](COc2ncccn2)C12CN(Cc1cccnc1)C2 247308301 HLEPTFSPZHASTI-OAHLLOKOSA-N 360.439 0.940 0 40 FCAB CNC(=O)c1cccc([C@@H]2CN(C=O)CCN2C(=O)c2cc(C)on2)c1 257238472 HLCUUBXRENBPQP-INIZCTEOSA-N 356.382 0.998 0 40 FCAB C[S@@](=O)c1nncn1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 329252671 VOAUTMFRSGCNTI-RKNYENMMSA-N 352.391 0.755 0 40 FCAB CC(C)S(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 575406287 ZAHGMFCASJSAMR-DMDPSCGWSA-N 359.473 0.558 0 40 FCAB CCN(CC)S(=O)(=O)N[C@@H]1CCCCN(Cc2nc(C)no2)C1=O 585088443 MPUJOTJJETVBKX-GFCCVEGCSA-N 359.452 0.435 0 40 FCAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(c2ncns2)CC1 615797445 ZUIGARSCVHYHRZ-TXEJJXNPSA-N 361.427 0.138 0 40 FCAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1c(OC)cccc1OC 643971189 BNSAKJQUJBMAQC-HNNXBMFYSA-N 359.400 0.958 0 40 FCAB CN1CC[C@H](C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)S1(=O)=O 649244310 ZJYQTWGFROLQSL-GFCCVEGCSA-N 360.819 0.787 0 40 FCAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@H](O)Cc1ccccc1 672483754 GZZMRHASLVLCSP-CYBMUJFWSA-N 352.412 0.877 0 40 FCAB C[C@@]1(C2CCN(c3ccc4nnc(C(F)F)n4n3)CC2)NC(=O)NC1=O 1116302742 FLQCZNLBUXQTPT-HNNXBMFYSA-N 365.344 0.876 0 40 FCAB CCc1cnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)nc1 1888857056 BKGBSGWHBIUJFH-UHFFFAOYSA-N 355.446 0.992 0 40 FCAB Cc1nc(N2CCO[C@@H](C(=O)N3CCSCC3)C2)c2cnn(C)c2n1 1888860080 YZWOEMNPBWEANN-CYBMUJFWSA-N 362.459 0.452 0 40 FCAB Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)c3cccn(C)c3=O)C[C@@H]21 2055750657 NQDJCACZQDGTDY-DLBZAZTESA-N 372.425 0.716 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(Cc5nnc(C)o5)C[C@@H]4C3)nn12 2086865216 WWZCTJNKPYEPRF-CHWSQXEVSA-N 354.418 0.946 0 40 FCAB O=C(O)CNC(=O)c1ccccc1C(=O)NCC(=O)OCc1ccccc1 1691967 JEVPTNXACCWBGF-UHFFFAOYSA-N 370.361 0.974 0 40 FCAB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 4817636 BBFJZZWRXVVKEC-HHARLNAUSA-N 351.399 0.945 0 40 FCAB in-vitro C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 11904837 LJBCWNRIFHXHQN-NSHDSACASA-N 358.441 0.784 0 40 FCAB COc1ccc(OC)c(CN2CCN(c3ccc4nnnn4n3)CC2)c1 14084600 CPHOEXUYMMIBNS-UHFFFAOYSA-N 355.402 0.859 0 40 FCAB CN(CC(=O)N1CCN(S(C)(=O)=O)CC1)Cc1ccccc1Cl 14185553 CRMRTDVMWFSSSG-UHFFFAOYSA-N 359.879 0.876 0 40 FCAB CCCOc1ccc(N2C(=O)C[C@H](N3CCN(CCO)CC3)C2=O)cc1 19367829 GXWWJXGPEAJJME-KRWDZBQOSA-N 361.442 0.717 0 40 FCAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)NCCOc1ccccc1 22915892 YHRFATIOGPHVFC-UHFFFAOYSA-N 360.458 0.078 0 40 FCAB COCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 35375132 CEUYDHYSQVRLSX-IHSNIMORSA-N 369.421 0.868 0 40 FCAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)CCO1 51164101 YUSICSBOETZXMQ-SECBINFHSA-N 354.306 0.460 0 40 FCAB Nc1nc(N)nc(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1 52110613 QMSIUTPNAKVBQJ-UHFFFAOYSA-N 365.800 0.787 0 40 FCAB COC(=O)c1sccc1NC(=O)C[C@H](CN1CCOCC1)C(=O)O 71279624 DHHSZTYUSPJAMX-SNVBAGLBSA-N 356.400 0.896 0 40 FCAB COc1cc(N2CCC3(CC2)C[C@@H](OCC(=O)N(C)C)CO3)ncn1 96106598 KYZCKUCCKIHBEO-CYBMUJFWSA-N 350.419 0.718 0 40 FCAB CCC(=O)/N=c1\sc2cc(S(N)(=O)=O)ccc2n1CC(=O)OC 100876777 YSSSEBYBKMKALV-SQFISAMPSA-N 357.413 0.361 0 40 FCAB O=C1N=c2ccccc2=C1Nn1cnc2sc3c(c2c1=O)CCCC3 141295061 YDAZHCCIDTYWKO-UHFFFAOYSA-N 350.403 0.849 0 40 FCAB CNC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(C1CC1)[C@H]3C(=O)NC1CCCCC1 245227869 XBYRBUQFCKKPGX-GYVFZPLRSA-N 373.453 0.494 0 40 FCAB Nc1nc(N)c2c(n1)O[C@]1(COCCN(Cc3cccc(C(=O)O)c3)C1)C2 257279574 OHGRYWZGWPNRBE-GOSISDBHSA-N 371.397 0.545 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2nccnc2-c2cc[nH]n2)CC1 257323201 WJDUBWMSHIMXBM-UHFFFAOYSA-N 350.448 0.928 0 40 FCAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)c1 530891175 NBYVJXWRDRKEAL-UHFFFAOYSA-N 351.428 0.949 0 40 FCAB CN(C)c1nc(CNS(=O)(=O)c2ccc(F)c(F)c2)nc(N(C)C)n1 575606196 GEVMMSRQKGROTL-UHFFFAOYSA-N 372.401 0.760 0 40 FCAB C[C@@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)c1cnccn1 585096336 IXUJCSJNVNRNFR-GFCCVEGCSA-N 354.414 0.959 0 40 FCAB COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)CCc1ccc[nH]1)CC2 1565547455 JFWKRHIGZYRJTI-CQSZACIVSA-N 359.430 0.824 0 40 FCAB CCn1cnc2c(N3CCN(c4ccc5nnc(C)n5n4)CC3)ncnc21 1888918182 WOWNENGMTRWHRH-UHFFFAOYSA-N 364.417 0.919 0 40 FCAB CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(S(=O)(=O)N(C)C)C[C@H]12 2055714925 ZROYWEUKXJTYFE-CWRNSKLLSA-N 357.476 0.855 0 40 FCAB CCCNC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)c1cc(OC)no1)OC2 2055759251 CKSVBULEBVJBPP-VIFPVBQESA-N 363.374 0.417 0 40 FCAB O=C1C(Cl)=C(Sc2n[nH]c(=O)[nH]c2=O)C(=O)N1Cc1ccccc1 945011 RFOPDLJUOMODED-UHFFFAOYSA-N 364.770 0.570 0 40 FCAB COc1ccc(C(=O)Nc2ccn([C@@H]3C[C@@H](O)[C@H](CO)O3)c(=O)n2)cc1 2131927 ZASFNFUJGOZQBW-IPYPFGDCSA-N 361.354 0.145 0 40 FCAB biogenic CC(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)O 4264730 VBVNAGGXPWGYAJ-MIDHOLSSSA-N 373.402 0.608 0 40 FCAB CN1CCN(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 4694434 PMEOFJMDPIPACC-UHFFFAOYSA-N 360.867 0.239 0 40 FCAB O=C(Nn1cnnc1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 6602427 SIHYSUSVTBXEAH-UHFFFAOYSA-N 371.369 0.727 0 40 FCAB Nc1nc(N)nc(SCC(=O)NCCc2ccc3c(c2)OCCO3)n1 8706024 LNTCNKLZHGSSSS-UHFFFAOYSA-N 362.415 0.258 0 40 FCAB Cc1ccc(C)c(N([C@@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1 10284637 CVYPUSNTEDSIAO-HNNXBMFYSA-N 367.471 0.759 0 40 FCAB COC(=O)C[C@H]1NC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O 12550412 DKBNOKOENGYAQB-CYBMUJFWSA-N 364.377 0.389 0 40 FCAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)CN(C)C)c3ncccc23)C1 19016537 BZRFREPAVOPUJJ-AWEZNQCLSA-N 358.446 0.445 0 40 FCAB CN1CCN([C@@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1 19848971 NKKCMNHDEXYCMR-QGZVFWFLSA-N 370.453 0.688 0 40 FCAB Cc1cccc(N2CCN([C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 24828971 CYDBSVSWRXCFOI-HOTGVXAUSA-N 365.499 0.809 0 40 FCAB Cc1oc2ncn(C)c(=O)c2c1C(=O)OCn1nnc2ccccc2c1=O 28179599 XTIYLMVQDIMELZ-UHFFFAOYSA-N 367.321 0.754 0 40 FCAB O=C(NCc1cccnc1-n1cncn1)[C@@H]1CCCN(c2cnccn2)C1 40108949 HSZQXIYLOVVLDF-OAHLLOKOSA-N 364.413 0.985 0 40 FCAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1nnc(COc2ccccc2)n1 52550142 GLBRXMOFFWCCHA-CQSZACIVSA-N 361.402 0.956 0 40 FCAB O=C(CCNC(=O)C(F)(F)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 52993321 WSBHHAOCBYBNNS-LBPRGKRZSA-N 360.382 0.588 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)C(=O)O)C2)cc1 68736417 MULMVAYHPYDXBR-NEPJUHHUSA-N 370.427 0.685 0 40 FCAB CN1CCN(C[C@@H]2CO[C@]3(CCCN(C(=O)c4cn(C)cn4)C3)C2)CC1 96228473 BFWFHSQQVHOJFL-VQIMIIECSA-N 361.490 0.679 0 40 FCAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\N(C)C)c(=O)n12 100936155 KOXJDQGEUOJWPD-VBCUROGJSA-N 373.434 0.330 0 40 FCAB CN(C)Cc1ccnc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 257268902 MNSOALBROSEVLM-AWEZNQCLSA-N 355.464 0.252 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn[nH]c3)CC2)cc1 330434272 PQQOXTXLSQGHSH-UHFFFAOYSA-N 350.400 0.565 0 40 FCAB CC(=O)N1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN2[C@](C)(CO)C1 514288341 VEEPPUQZICGYPG-WMZOPIPTSA-N 364.421 0.957 0 40 FCAB biogenic,in-vitro O=C(C1CC(F)(F)C1)N1CCn2c(nc(Cn3cncn3)cc2=O)C1 1565555703 FXFSUZOFTYWLRR-UHFFFAOYSA-N 350.329 0.271 0 40 FCAB CCc1nc(N2C[C@H]3CN(C(=O)c4ccn(C)n4)C[C@H]3C2)nc(O)c1F 1888864045 YSLYBUFPQYACSJ-PHIMTYICSA-N 360.393 0.826 0 40 FCAB O=C(NCc1ccccn1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cc[nH]n2)C1 2055772606 BTSQSBILMRLCTC-DAXOMENPSA-N 355.398 0.741 0 40 FCAB COc1cnc(C(=O)N2CC3(C[C@@H](N4CCOCC4)CS3)C2)nc1 2056224782 VNOQDRDCQSCLNF-GFCCVEGCSA-N 350.444 0.518 0 40 FCAB Cc1nc(N2CCN(c3ncnc4n[nH]cc34)CC2)cc(-n2cccn2)n1 2086889489 IONKHWFZXSKULM-UHFFFAOYSA-N 362.401 0.964 0 40 FCAB COC(=O)c1nnn(-c2nonc2N)c1CSc1nnc(C)s1 3668296 GICYHSXJVMKZFF-UHFFFAOYSA-N 354.377 0.471 0 40 FCAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)O 4027431 INHBBLAAKUFQTQ-HOSYDEDBSA-N 359.423 0.761 0 40 FCAB biogenic O=C(CSc1nc2ccccc2c(=O)n1CCCO)N1CCNC1=O 6366310 BWAFCXJNDXIXTJ-UHFFFAOYSA-N 362.411 0.423 0 40 FCAB CCCn1c(N)c(N(CCOC)C(=O)c2ccc(F)cc2)c(=O)[nH]c1=O 6508138 DIRMBWCPAHRQRP-UHFFFAOYSA-N 364.377 0.961 0 40 FCAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(=O)NC(C)(C)C)c1 6986065 GZYGLFCODNSVBC-UHFFFAOYSA-N 361.851 0.893 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nn2cnnc2)cc1 9134371 VWMWBHYIVUXFCT-CQSZACIVSA-N 365.415 0.600 0 40 FCAB C[C@@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)C(=O)N(C)C 12784725 MEZOUANQMSEFNY-SNVBAGLBSA-N 351.432 0.906 0 40 FCAB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(C(N)=O)cc2)CC1 14134972 SGRBSUPAAHYJED-UHFFFAOYSA-N 362.382 0.744 0 40 FCAB COC(=O)c1c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)sc(C(N)=O)c1C 17075728 CUGOQBVMEXHXID-RKDXNWHRSA-N 369.443 0.990 0 40 FCAB NC(=O)CN1CCC[C@@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 19657453 AHRABMKSAAUHKU-OAHLLOKOSA-N 374.441 0.295 0 40 FCAB C[C@@H](OC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)N1CCNC1=O 22011323 RBRAYIQKEXMRPY-SECBINFHSA-N 366.399 0.296 0 40 FCAB CCOC(=O)c1ccc(N2CCN(C(=O)CCn3cncn3)CC2)nc1 29292864 ZUEHKRXBZPBGJU-UHFFFAOYSA-N 358.402 0.589 0 40 FCAB COc1ccc([C@H](CNC(=O)C(=O)Nc2c[nH]ccc2=O)N(C)C)cc1 44900625 LFAMRLRLWAFIHQ-HNNXBMFYSA-N 358.398 0.741 0 40 FCAB O=C(CCN1CCN(C(=O)C(=O)NC2CC2)CC1)Nc1cccc(F)c1 48012855 AOQTXVFAVLBGCV-UHFFFAOYSA-N 362.405 0.577 0 40 FCAB O=c1n(Cc2ccccn2)nc2ccc(S(=O)(=O)N3CCCC3)cn12 67245772 ZDFAXZJUYDDLDP-UHFFFAOYSA-N 359.411 0.724 0 40 FCAB CCn1nnc2c1CCN(S(C)(=O)=O)[C@@H]2COCc1cccnc1 96068782 MUVPJXNUUUIHOB-CQSZACIVSA-N 351.432 0.769 0 40 FCAB O=C(NCc1cccnc1)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96105251 KDQGUVITMCBPHY-OAHLLOKOSA-N 364.413 0.985 0 40 FCAB COc1ccc(CCN2C[C@@H](C(=O)NCC(=O)O)CC2=O)cc1OC 96595613 YIXQZYWHABMQPA-LBPRGKRZSA-N 350.371 0.296 0 40 FCAB NC(=O)[C@@H]1CNCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 257266652 MDXJUCOHFIXYIW-NSHDSACASA-N 359.352 0.066 0 40 FCAB CN1CCN(C[C@]2(O)CCCN(C(=O)Cc3cccc(O)c3)CC2)CC1 257343108 ZRMWXSYRYKCYCN-FQEVSTJZSA-N 361.486 0.926 0 40 FCAB O=C(c1ccoc1)N1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1 306125273 CLDIKDOQKMUMMG-KBPBESRZSA-N 356.382 0.668 0 40 FCAB Cc1cnc(CCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)nc1 332939665 HBWNAIJLIKHBAS-HOTGVXAUSA-N 358.442 0.885 0 40 FCAB CCCOCc1ccccc1CNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 569942804 XTEAMUYMDFFGNJ-ROUUACIJSA-N 374.485 0.473 0 40 FCAB C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)c1cnccn1 585097097 FRUFLCRRTVXYLJ-ZDUSSCGKSA-N 352.398 0.831 0 40 FCAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)CCn2nnnc2C)CCO1 585276757 DOVRYIRXBNIYEG-SFHVURJKSA-N 359.430 0.513 0 40 FCAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)COc2ccccc2F)C1 585322932 NNWYIAYIMVDNFF-UHFFFAOYSA-N 353.375 0.623 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)CCO1 681942467 BLYTZMSIVBURKH-DZGCQCFKSA-N 362.382 0.323 0 40 FCAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)C5CC5)C[C@@H]4C3)ncnc21 1888876383 VKRPWRJNVWUAMN-KBPBESRZSA-N 356.430 0.777 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccnn2C)CC1 2055773013 KBVKEHYNBPJEEE-UHFFFAOYSA-N 360.418 0.011 0 40 FCAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCN(C)C)C2)cnn1C 2732440 WWFHPCDONOQWJK-CQSZACIVSA-N 371.507 0.197 0 40 FCAB Cc1cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1-c1ccccc1F 4370442 YJDAYAFKVKOBIY-UHFFFAOYSA-N 370.344 0.071 0 40 FCAB Cc1ccc(N([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 5002198 FEEWSYFZHUXWCN-ZDUSSCGKSA-N 367.471 0.873 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CN(Cc2ccccc2F)C2CC2)CC1 14182401 GJSQUSVSDWDBAJ-UHFFFAOYSA-N 369.462 0.894 0 40 FCAB COC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 16576513 VKXVVABOPLOBAZ-NSHDSACASA-N 360.432 0.475 0 40 FCAB CCCn1c(SCC(=O)N2CCN(c3ccccn3)CC2)n[nH]c1=O 18167654 NDEBBTHDLYCLRO-UHFFFAOYSA-N 362.459 0.817 0 40 FCAB O=C1OCC[C@H]1N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19078731 VLEYOBNCXDYBED-LLVKDONJSA-N 368.440 0.313 0 40 FCAB COc1ccccc1CCNC(=O)[C@@H]1CN(Cc2cnn(C)c2)CCO1 19747181 PTSBURMYOYORKH-SFHVURJKSA-N 358.442 0.988 0 40 FCAB COC(=O)[C@H](CC(C)C)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 24726903 BMOQQTRJZLOOGQ-LBPRGKRZSA-N 367.427 0.429 0 40 FCAB O=C([C@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)c2cccnc2)CC1 33090356 CIQCAWPKIIHMBU-QGZVFWFLSA-N 373.434 0.918 0 40 FCAB O=C(CN1CCS(=O)(=O)CC1)Nc1cccc(CN2CCOCC2)c1 58213637 ONCFWRHOCXPGIC-UHFFFAOYSA-N 367.471 0.188 0 40 FCAB Cc1c(NC(=O)C2CN(S(C)(=O)=O)C2)c(=O)n(-c2ccccc2)n1C 70817694 ONWGIZSNUCCKOM-UHFFFAOYSA-N 364.427 0.314 0 40 FCAB Cn1cncc1CN1CCO[C@@]2(COCCN(Cc3cccnc3)C2)C1 96229424 ISPKBWMCYOHAFV-LJQANCHMSA-N 357.458 0.919 0 40 FCAB COC(=O)[C@@](NC(=O)C(F)(F)F)(C(C(C)=O)C(C)=O)C(F)(F)F 100123403 PGTDQZPDDWOULW-VIFPVBQESA-N 351.199 0.933 0 40 FCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](CC(C)C)C(=O)OC)C1 105670774 KIWHQKWADJYCFD-CHWSQXEVSA-N 364.464 0.684 0 40 FCAB COCCN1C(=O)CO[C@H]2CN(C(=O)c3cc(F)ccc3OC)C[C@@H]21 257224291 FBDXGNJWSVUBEG-ZFWWWQNUSA-N 352.362 0.533 0 40 FCAB CC1CC(C(=O)N2CCN3CCn4c(C(=O)NC5CCC5)nnc4[C@H]3C2)C1 585109927 OTQZYIWZOXWMQN-SSDMNJCBSA-N 372.473 0.805 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@]2(COCCN(c3cccnc3)C2)C1 1565544365 FRNXRPCCSWMPPZ-FAJBIJEISA-N 359.426 0.408 0 40 FCAB O=C(c1ccc(O)nn1)N1CCC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565552008 NHKREBHVSBBTFM-SJKOYZFVSA-N 356.386 0.848 0 40 FCAB COC1(CC(=O)N2C[C@H]3ON=C(C(=O)N4CCOCC4)[C@H]3C2)CCC1 1565552752 VYNPCYYNRMZCHB-QWHCGFSZSA-N 351.403 0.018 0 40 FCAB Cc1nnc(N2CCOC[C@@]3(CCCN(C(=O)[C@H]4CCOC4)C3)C2)o1 1565555426 ACRMTTNICVFOHF-WMLDXEAASA-N 350.419 0.860 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)Cc2ccccc2C)CC1 2055745788 AIXHLBFEVCCVEF-UHFFFAOYSA-N 369.469 0.912 0 40 FCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)CC2CC2)CC1 2055746183 WEBXQQRYFIJHNW-UHFFFAOYSA-N 363.462 0.178 0 40 FCAB C[C@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(N)=O 4186549 WKHRXLSMDHFXPH-UWVGGRQHSA-N 359.423 0.602 0 40 FCAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)O 5383671 VVZFVPMPVCQRCY-GHMZBOCLSA-N 371.438 0.219 0 40 FCAB biogenic Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1 7975089 PUPNGCOZLLITKR-UHFFFAOYSA-N 364.379 0.542 0 40 FCAB O=C(c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1)N1CCOCC1 12030097 JXTMOHBKNXENKY-AWEZNQCLSA-N 373.452 0.120 0 40 FCAB COc1ccc(OC)c([C@@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)c1 13131928 SLWSUQIQEOOUHR-MRXNPFEDSA-N 373.413 0.865 0 40 FCAB CS[C@]1(CO)C(=O)N2[C@@H]3C(=CC=C[C@@H]3O)C[C@@]2(SC)C(=O)N1C 13377820 OVBAGMZLGLXSBN-RBDSIQFVSA-N 356.469 0.027 0 40 FCAB biogenic O=S1(=O)CC[C@H](NCCCCCCN[C@H]2CCS(=O)(=O)C2)C1 40177465 DZWDRTXQHGORCA-KBPBESRZSA-N 352.522 0.100 0 40 FCAB COC(=O)CC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O 44917173 HOPZVLXKELSGIA-UHFFFAOYSA-N 356.381 0.618 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCOCC2)cc1 48090350 QNKYFYKIIKLXTR-AWEZNQCLSA-N 355.460 0.110 0 40 FCAB Cc1csc2nc(CN3CCC[C@H](NS(C)(=O)=O)C3)cc(=O)n12 48288728 DNVVCDPXZUYUTL-NSHDSACASA-N 356.473 0.578 0 40 FCAB CN(C)CCn1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n1 75572919 HBUSTRWTZYXMPL-HNNXBMFYSA-N 369.429 0.503 0 40 FCAB CNC(=O)CN1CC2(CCNCC2)COc2ccccc2S1(=O)=O 96145235 BKOHUIMXNKXVLS-UHFFFAOYSA-N 353.444 0.186 0 40 FCAB CNC(=O)[C@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2 101007734 SCRHUIAJSFKJIC-ZIBATOQPSA-N 352.412 0.745 0 40 FCAB CN1C[C@H](C(=O)N2[C@H]3CC[C@H]2Cn2c(nc4ccccc4c2=O)C3)CC1=O 248125692 LPBVNVJFJJAPOK-RDBSUJKOSA-N 366.421 0.791 0 40 FCAB O=C(CCn1ccnc1)N1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 257202947 ANYVXMKNGDBFLA-IRXDYDNUSA-N 354.410 0.912 0 40 FCAB O=C(CCOc1ccccc1F)N1CC[C@](O)(CN2CCOCC2)C1 257270420 MUDBCGHDBAGEDR-SFHVURJKSA-N 352.406 0.890 0 40 FCAB COCCn1cc(C(=O)N2CCN(C(C)=O)[C@H](C(N)=O)C2)c2ccccc21 257343381 ZSTJOHBPEHYITA-KRWDZBQOSA-N 372.425 0.446 0 40 FCAB Cc1nnc2ccc(N3CC(N(C)c4ncnc5c4cnn5C)C3)nn12 585607210 OFTWQZRUAUKASE-UHFFFAOYSA-N 350.390 0.434 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cn[nH]c5)C[C@H]4C3)nn12 1888904419 YHFJOJIVIRCXKS-CHWSQXEVSA-N 352.402 0.618 0 40 FCAB COCCn1cnc2c(N3C[C@@H]4CN(c5ncccn5)C[C@H]4C3)ncnc21 1888906224 KZGBDXYDRKWXHX-ZIAGYGMSSA-N 366.429 0.835 0 40 FCAB COc1ncccc1C(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888906809 FCNYKRUFGUEZOC-STQMWFEESA-N 365.397 0.736 0 40 FCAB c1cn2nccc2c(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)n1 1889149161 OUXLWAQHRPKTOO-UHFFFAOYSA-N 366.429 0.683 0 40 FCAB CSCC[C@H](NC(=O)CCCn1nnc2ccccc2c1=O)C(=O)O 2200834 ZQQUZQLXTIQAEK-ZDUSSCGKSA-N 364.427 0.894 0 40 FCAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCOCC2)C1=O 3593618 XKTZRYSLOVEQAB-MRXNPFEDSA-N 351.790 0.966 0 40 FCAB O=C(NCCO)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 4518892 YPMORISUHMZJRQ-AWEZNQCLSA-N 366.395 0.019 0 40 FCAB CCOc1ccc(N2C(=O)C[C@@]3(CC(C(=O)OC)=NN3C(C)=O)C2=O)cc1 5022341 PBPVXJONBCJANI-SFHVURJKSA-N 373.365 0.869 0 40 FCAB Cc1cc(N2CCN(C)CC2)nc(SCC(=O)NCCCN(C)C)n1 6189354 QEBDDOLKCNNWML-UHFFFAOYSA-N 366.535 0.697 0 40 FCAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCCC2)n1 9037848 FKTIXMVZDUVGJR-UHFFFAOYSA-N 358.402 0.777 0 40 FCAB O=C(c1ccncc1)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 12409712 AWZBLYVCPCMWMD-UHFFFAOYSA-N 373.394 0.765 0 40 FCAB COc1cccc2c1[C@H](O)[C@]1(O)C=CC3=C(C(=O)C[C@H](C)[C@@H]3O)[C@H]1[C@H]2O 14850583 XMXBNUIKCGPIAR-IMPIDUFISA-N 358.390 0.959 0 40 FCAB biogenic CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 16163192 LGWWGGGDGXMPCS-UHFFFAOYSA-N 357.417 0.496 0 40 FCAB O=C(Cn1cncn1)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 19375653 OLJZNSJYJQBEHC-GFCCVEGCSA-N 374.426 0.539 0 40 FCAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCO2 36357302 QQWQYOCKZOKFRJ-GXSJLCMTSA-N 369.399 0.229 0 40 FCAB COc1ccc(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(OC)c1OC 39995461 CCIAMGCGQBPNIP-INIZCTEOSA-N 357.428 0.948 0 40 FCAB COc1ccc(CCC(=O)N2CCN(CCC(=O)NC(N)=O)CC2)cc1 58201770 BSQMOBMVHXWERM-UHFFFAOYSA-N 362.430 0.357 0 40 FCAB O=C1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCN1CCO 72307592 XMDFJSNCMDCXCF-UHFFFAOYSA-N 352.334 0.621 0 40 FCAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCNCC1 88218893 LTGSJQKGFJMZSA-UHFFFAOYSA-N 351.204 0.591 0 40 FCAB CC(C)NC(=O)CN(C)C1CCN([C@@H](C)C(=O)Nc2ncccn2)CC1 95441603 ADAVOZUPJZOGLE-AWEZNQCLSA-N 362.478 0.724 0 40 FCAB Cc1nnc(NC[C@H]2CO[C@@]3(COCCN(C(=O)NC4CC4)C3)C2)o1 96078514 XSSKSIXDDJFUMB-LRDDRELGSA-N 351.407 0.769 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc(OC)c(F)c3)C2)CN1C 248080551 PNYMFJAZDPZLGZ-CYBMUJFWSA-N 351.378 0.106 0 40 FCAB CC(C)c1noc(CCC(=O)N2CC[C@@](O)(CN3CCOCC3)C2)n1 257217643 CZXKXKXYMRKHKF-QGZVFWFLSA-N 352.435 0.421 0 40 FCAB O=C(NC[C@@]1(O)CCCN(c2ncccn2)C1)c1n[nH]c2c1CCCC2 257343206 ZRXBAHGNEZUDOV-SFHVURJKSA-N 356.430 0.840 0 40 FCAB Cc1cccc(C)c1N(CC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O 409024549 DJKFAZUHIZORGG-UHFFFAOYSA-N 367.471 0.793 0 40 FCAB CCCc1noc(CN2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)n1 511062038 JQHUIOMLFNSLMD-ZDUSSCGKSA-N 362.434 0.453 0 40 FCAB Cc1cc(CN2CCC[C@]3(C2)CN(CCS(C)(=O)=O)C3=O)n(C)n1 585099488 NWPCJUFSBDSYMR-INIZCTEOSA-N 354.476 0.198 0 40 FCAB OC[C@@H](O)[C@H]1OCCCCCCN(Cc2cccs2)C[C@H](O)[C@H]1O 643913396 VONNHIKEGOLMAK-YLFCFFPRSA-N 359.488 0.584 0 40 FCAB COCCn1cc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)cn1 661127014 HHGATUUSNFJKFD-OAHLLOKOSA-N 357.414 0.916 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC2(CC1)CC(C(=O)NC1CCC1)=NO2 1565556032 UYIPBPPSXFMOGK-UHFFFAOYSA-N 371.459 0.227 0 40 FCAB Cc1nc(N2CCOCC2)cc(N2CCN(c3nccn(C)c3=O)CC2)n1 1889082798 ZUEGCBKJPMJDQL-UHFFFAOYSA-N 371.445 0.042 0 40 FCAB COc1cc2c(cc1OC)-c1cc(N(CCO)CCO)nc(=O)n1CC2 2110058 GYZOMQIAYGQIPH-UHFFFAOYSA-N 361.398 0.275 0 40 FCAB biogenic Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2N2CCOCC2)cc1 2437119 PQZTVFIXBVMBJM-UHFFFAOYSA-N 354.410 0.982 0 40 FCAB NC(=O)C1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 5153607 NBGFSWFYRDQWAJ-UHFFFAOYSA-N 363.439 0.408 0 40 FCAB O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1ccc2c(c1)OCCO2 9498597 JGZQNBDUPYEFDD-UHFFFAOYSA-N 353.338 0.839 0 40 FCAB CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1CCO 12413740 VGQCVEQPKPTYAC-SNVBAGLBSA-N 365.394 0.146 0 40 FCAB CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 13995552 QAMYELCITHZAKW-INIZCTEOSA-N 367.471 0.274 0 40 FCAB CCN(C(=O)c1cnccn1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14584823 MJJOXARHFWBBNP-UHFFFAOYSA-N 366.381 0.624 0 40 FCAB COC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)sc(C(N)=O)c1C 17075729 CUGOQBVMEXHXID-DTORHVGOSA-N 369.443 0.990 0 40 FCAB Cc1ccc(=O)n(CC(=O)N2CC(C(=O)NCCc3ccc(F)cc3)C2)n1 19748707 GHGKBVJVKKXGQD-UHFFFAOYSA-N 372.400 0.508 0 40 FCAB COc1ccc(C(=O)OCC(=O)N2CCN(c3ccccn3)CC2)cn1 23038329 GLJHNFDBFFPBBL-UHFFFAOYSA-N 356.382 0.991 0 40 FCAB CCN(C(=O)C1CCOCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 24637838 ZPNNJKGHCIJNCY-UHFFFAOYSA-N 372.425 0.947 0 40 FCAB CCc1nnc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)s1 28975659 HOSJUDGWGUWJNX-RKDXNWHRSA-N 358.445 0.075 0 40 FCAB NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 36338963 IBVLKGNHKWPXPQ-UHFFFAOYSA-N 351.350 0.497 0 40 FCAB Cc1nc2nc3ccn(C(CO)CO)c(=O)c3c(-c3ccccc3)n2n1 38828666 PUXZGMREBFYUQS-UHFFFAOYSA-N 351.366 0.940 0 40 FCAB C[C@H]1Oc2ccccc2N(CCC(=O)N[C@]2(C)CCS(=O)(=O)C2)C1=O 40012843 GSBUFNQEKPUTOH-SJKOYZFVSA-N 366.439 0.884 0 40 FCAB CCOc1cc(S(=O)(=O)N(CCO)CCO)ccc1Br 41096535 YDIGFLNMNSGQFP-UHFFFAOYSA-N 368.249 0.823 0 40 FCAB CN1CCN(NC(=O)CN2CCN(c3cccc(Cl)c3)C2=O)CC1 49026222 ULSRGCKKTJDINK-UHFFFAOYSA-N 351.838 0.861 0 40 FCAB COc1ccc(CCC(=O)N2CCN(Cc3nc(N)nc(N)n3)CC2)cc1 58178478 UGKSWORPUQVBPO-UHFFFAOYSA-N 371.445 0.322 0 40 FCAB O=C(Nc1c[nH]ccc1=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 58217609 HQIDVXXTDYBZOX-UHFFFAOYSA-N 368.440 0.693 0 40 FCAB CC1(C)N=C(O)N(C[C@H](O)CN2CCN(Cc3ccccn3)CC2)C1=O 71282716 PGXITKGNJXSJDF-OAHLLOKOSA-N 361.446 0.095 0 40 FCAB CCN(C)S(=O)(=O)c1cncc(Br)c1N1CCNCC1 72210845 SVBKYEJQOUIUAB-UHFFFAOYSA-N 363.281 0.894 0 40 FCAB COc1ncccc1NC(=O)C[C@H](CN1CCN(C(C)=O)CC1)C(=O)O 72404295 IBLKOVGSJLYIHC-CYBMUJFWSA-N 364.402 0.284 0 40 FCAB Cc1c(S(=O)(=O)NCCOCCN(C)C)cnn1-c1ccccn1 96012536 LCVYKBCTCNKFPI-UHFFFAOYSA-N 353.448 0.432 0 40 FCAB Cc1nnc(NC[C@@H]2CO[C@@]3(COCCN(C(=O)NC4CC4)C3)C2)o1 96078515 XSSKSIXDDJFUMB-WBMJQRKESA-N 351.407 0.769 0 40 FCAB O[C@H]1[C@@H](O)[C@@H](OC[C@H]2C=CC=CC2)[C@H](O)[C@@H](O)[C@@H]1OCc1ccccc1 103641801 FHSZJZFBQDKOFJ-GNKITCRMSA-N 362.422 0.547 0 40 FCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3CCCC3)C2)C(=O)N1Cc1ccccc1 225386039 WHLVJJOZWAUELW-MSOLQXFVSA-N 369.465 0.988 0 40 FCAB biogenic,in-vitro COc1cccc([C@H]2C[C@@](O)(CNC(=O)c3cccnn3)[C@H](O)[C@@H](C)O2)c1 257299357 RPRRLZKJLQCIMY-MYFFOXHASA-N 373.409 0.857 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cc(-c3ccnn3C)ncn2)C1 257308351 TWKOVJYONDACMB-ZDUSSCGKSA-N 364.475 0.938 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CCN1 257315495 VBRGSPPLHOLPCK-LLVKDONJSA-N 366.805 0.184 0 40 FCAB CCOCC(=O)N1CC2(C1)[C@@H](COCc1cccnc1)CCS2(=O)=O 306145015 ZURZZOURJMOODW-OAHLLOKOSA-N 368.455 0.650 0 40 FCAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCS1(=O)=O 516584213 RPLOKHMVLPEIBY-KBPBESRZSA-N 350.396 0.857 0 40 FCAB O=C(O)[C@H]1C[C@@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 562406033 IFWDJUICHHGPJK-GJZGRUSLSA-N 366.439 0.949 0 40 FCAB Cc1ccc(S(=O)(=O)NCCN[C@@]2(C)CCS(=O)(=O)C2)c(C)c1 575424856 PKRIUPIZNCBRJQ-HNNXBMFYSA-N 360.501 0.749 0 40 FCAB COc1ccc(S(=O)(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)c(OC)c1 575425750 IJPBFTIILBQJAH-AWEZNQCLSA-N 363.457 0.902 0 40 FCAB Cn1ccc(CC(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)n1 585110635 QHPQFTFBZBZLAW-UHFFFAOYSA-N 370.457 0.660 0 40 FCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC4(C)CC3(C(=O)O)C4)ccc21 656522624 JDUUXGQBANAVFR-UHFFFAOYSA-N 365.411 0.505 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCO[C@@](C)(C3CC3)C2)C1 661180995 KGFXIBBKJQVYBR-GDBMZVCRSA-N 374.507 0.468 0 40 FCAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(CC(=O)NCc2ccc(F)cc2)C1 685940866 YACUUJRKKBTVSU-JSGCOSHPSA-N 351.378 0.353 0 40 FCAB Cc1ncnc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCN(C)CC3)C2)c1C 1565550121 QEUKNMGYRGULDB-OWCLPIDISA-N 373.457 0.097 0 40 FCAB O=C(NCc1cccnc1)C1=NO[C@@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]12 1565550785 FSJCENJJAZLXJW-JKSUJKDBSA-N 367.409 0.872 0 40 FCAB CCc1nc(N2C[C@@H]3CN(C(=O)c4cnn(C)c4)C[C@H]3C2)nc(O)c1F 1888864014 UGKKYVMWHOXPGV-RYUDHWBXSA-N 360.393 0.826 0 40 FCAB Cn1c(N2C[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]3C2)nc2ccccc21 1888876061 LLUITHCNEYBMMI-YDHLFZDLSA-N 353.426 0.747 0 40 FCAB Cn1cnc2c(N3C[C@H]4CN(C(=O)NC5CCOCC5)C[C@@H]4C3)ncnc21 1888888159 KBRGEZGZUZCJPC-STQMWFEESA-N 371.445 0.620 0 40 FCAB Cn1nnc2c1[C@H](COCCN1CCCC1)CN(C(=O)c1cc[nH]n1)C2 2055772282 QLUZLADKCYYOIJ-ZDUSSCGKSA-N 359.434 0.390 0 40 FCAB CCN1CCN(C(=O)c2ccc3c(=O)n(CCOC)c(=O)[nH]c3c2)CC1 3906608 MSVRGXQRWIHMJC-UHFFFAOYSA-N 360.414 0.114 0 40 FCAB CC(C)CNc1nc(Oc2ccc(OCC(N)=O)nn2)nc(N(C)C)n1 9201765 UMAGLQPCQSVZOU-UHFFFAOYSA-N 362.394 0.452 0 40 FCAB CC(C)Cn1c(N)c(C(=O)CSc2nnnn2C2CC2)c(=O)[nH]c1=O 11277593 DKWAAVSNYXAOCX-UHFFFAOYSA-N 365.419 0.071 0 40 FCAB Cc1c([C@@H]2C[C@@H](C(=O)NC3CCCCC3)N(C)S(=O)(=O)N2)cnn1C 12131037 JNUMJODABUDJHY-GJZGRUSLSA-N 369.491 0.757 0 40 FCAB CS(=O)(=O)N(CCCC(=O)N1CCN(C=O)CC1)c1ccc(F)cc1 13596104 YTILMQLSTNZTCT-UHFFFAOYSA-N 371.434 0.673 0 40 FCAB COC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 16576512 VKXVVABOPLOBAZ-LLVKDONJSA-N 360.432 0.475 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2NC(=O)NCCC(=O)O)cc1 16807965 JBCPDQSXNSWQLU-ZDUSSCGKSA-N 355.416 0.880 0 40 FCAB C[C@H](C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1)N1CCOCC1 19078111 BQENWKLWLYAFIA-CQSZACIVSA-N 359.474 0.549 0 40 FCAB COCC(=O)Nc1ccccc1C1=NNC(=O)[C@H]2[C@@H](C(=O)NC(C)C)[C@@]12C 19450053 FCCYQYUUFYQODA-QMTMVMCOSA-N 372.425 0.882 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc1cnn(C)c1 24476463 SEZBFGLPDRVBIN-JTQLQIEISA-N 355.420 0.350 0 40 FCAB CC(=O)N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)CC1 32740450 JTCVATNLDVZIRE-LLVKDONJSA-N 371.434 0.620 0 40 FCAB CN(CCOc1ccccc1F)S(=O)(=O)c1cc(C(N)=O)n(C)c1 32770715 NVDRJLUVVQWZNN-UHFFFAOYSA-N 355.391 0.963 0 40 FCAB Cc1ccnn1CCNC(=O)C(=O)N[C@H]1C(=O)N(C(C)C)c2ccccc21 44917348 ULJMYYPFHQSZOK-MRXNPFEDSA-N 369.425 0.920 0 40 FCAB NC(=O)[C@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CCO1 51164143 XINHBQUFEYLDHK-SNVBAGLBSA-N 354.306 0.460 0 40 FCAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2ncccn2)CC1 57405647 AMCCSFIEMLVYDT-CYBMUJFWSA-N 354.414 0.725 0 40 FCAB C[C@H](C(=O)NC(N)=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 58218271 MPZZYFQKJBSMHF-SNVBAGLBSA-N 374.397 0.496 0 40 FCAB O=C(NC[C@H](O)c1ccoc1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 77101353 UCXVYIJAHCNKBU-HNNXBMFYSA-N 369.377 0.903 0 40 FCAB CC(=O)N1C[C@@H]2[C@H](C1)c1nc(N3CCC[C@@H](C)C3)ncc1CS2(=O)=O 96252003 OKZLRRJYPMZSNA-BYCMXARLSA-N 364.471 0.956 0 40 FCAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)no1 102539766 ARNOEZHGRGUZCG-CHPZLBCBSA-N 361.354 0.496 0 40 FCAB COc1ccc(S(=O)(=O)N2CC[C@H](C)C2)cc1[C@]1(C)NC(=O)NC1=O 107047295 SBZOJDPCZNXZFQ-QFYYESIMSA-N 367.427 0.780 0 40 FCAB COc1cc(N2CCOCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 225906312 DTSYXVWRCIEYFJ-LLVKDONJSA-N 353.448 0.787 0 40 FCAB CN(C)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 244330332 XNPHNBMJNHXLCA-ZDUSSCGKSA-N 364.464 0.565 0 40 FCAB O=C(CO[C@H]1CSC2(C1)CN(c1ccc3nncn3n1)C2)N1CCCC1 247746100 RLEOSWZAOFTVCB-CYBMUJFWSA-N 374.470 0.828 0 40 FCAB CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)nc2)C1 270692035 WLGYIOVEKYSGFL-WNDFPBNNSA-N 359.473 0.539 0 40 FCAB Cn1cc(S(=O)(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c(C(F)(F)F)n1 555351953 YIPNFLXLEKXWCW-KCJUWKMLSA-N 366.365 0.774 0 40 FCAB COCCN1CC[C@]2(CN(C(=O)c3ccn(C)n3)CC(F)(F)C2)C1=O 585093431 WHFQPIMHTWRSOP-HNNXBMFYSA-N 356.373 0.766 0 40 FCAB CO[C@@H]1CCN(CC2(O)CCOCC2)C[C@H]1CC(=O)N1CCOCC1 585276927 KQXALSQHDYMNBX-HZPDHXFCSA-N 356.463 0.114 0 40 FCAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cnc(N(C)C)nc1C 585288038 ODKXKMQFAKRSJM-YUELXQCFSA-N 352.435 0.071 0 40 FCAB O=C(CN1CCOCC1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985280 DLOOTUVSDPPLQG-HXUWFJFHSA-N 373.453 0.601 0 40 FCAB CC(C)NC(=O)[C@@H](C)N1CCN(Cc2nnc([C@@H]3CCOC3)o2)CC1 2086866238 UUZZNZMUOKJVPO-ZIAGYGMSSA-N 351.451 0.604 0 40 FCAB O=C(CNC(=O)c1ccccc1)NCC(=O)OCC(=O)c1ccccc1 1847956 LSJTUEPOEKDXKQ-UHFFFAOYSA-N 354.362 0.959 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)Nc2ncn(Cc3ccccc3)n2)CC1 2804673 ILMRFVAOWYRHMX-UHFFFAOYSA-N 363.443 0.937 0 40 FCAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)ccc12 5442715 UPTJJAZIWBTUSW-NSHDSACASA-N 351.380 0.784 0 40 FCAB biogenic O=C(Cn1cnc2ccc(Cl)cc2c1=O)N[C@H]1CCS(=O)(=O)C1 6553369 LCFXRXIIVNSABJ-JTQLQIEISA-N 355.803 0.353 0 40 FCAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)COCC)n2CC 8154355 MCXOVEQRBWEQQP-UHFFFAOYSA-N 352.391 0.786 0 40 FCAB C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1Cl 8777135 WDPBOGWCGLOOJI-SECBINFHSA-N 357.819 0.777 0 40 FCAB CN(CCS(=O)(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 10490524 QZHGPMJPTXIKFI-UHFFFAOYSA-N 366.436 0.108 0 40 FCAB O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)N1CCOCC1 12230856 GEEQYHYEYPLNJX-UHFFFAOYSA-N 358.394 0.778 0 40 FCAB O=C(NC[C@@H]1CCCO1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 16850982 MRHCMWUDSCUXGJ-NEPJUHHUSA-N 353.444 0.640 0 40 FCAB CN1CCc2nc([C@H]3CCCN(S(=O)(=O)N4CCCC4)C3)ncc2C1 19590487 ZFUBYUBWWLEOPC-AWEZNQCLSA-N 365.503 0.985 0 40 FCAB COCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 22380483 RVVDACPQRJCXTA-CYBMUJFWSA-N 370.427 0.374 0 40 FCAB COc1ccc(NC(=O)C[C@@H](C(=O)O)N2CCN(C)CC2)c(OC)c1 22585031 ICHVSBBVVJZYED-AWEZNQCLSA-N 351.403 0.733 0 40 FCAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCNC(=O)C2CC2)n(C)c1 32201917 KGSYCPPCDSFQFF-UHFFFAOYSA-N 370.475 0.312 0 40 FCAB COC(=O)CCN(C(=O)Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 32641512 XMJCSLAKOMJNSC-CQSZACIVSA-N 369.439 0.817 0 40 FCAB Cn1cc(S(=O)(=O)N2CCc3[nH]c4ccccc4c3C2)c(=O)n(C)c1=O 32871946 WOTLASHHGSZTIL-UHFFFAOYSA-N 374.422 0.312 0 40 FCAB Cn1nnnc1SCC(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 44226436 NSIOUESRAJCKEZ-UHFFFAOYSA-N 366.369 0.219 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cn1ccc(C(F)(F)F)n1 46398104 AZPWSDKSCRSRSS-JTQLQIEISA-N 368.381 0.832 0 40 FCAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC(=O)N3CCCCC3)c(C)c12 53074949 JVFVCLKPNSRMDM-UHFFFAOYSA-N 373.457 0.940 0 40 FCAB COCCNC(=O)Cn1nc2cc(-c3ccc(OC)cc3)nc(C)n2c1=O 67226527 OFFZYAIBRDGFQG-UHFFFAOYSA-N 371.397 0.638 0 40 FCAB CNC(=O)[C@@H](NC(=O)CN(CCO)Cc1cccnc1)c1ccccc1 79065341 FNJCSBWLBHVRHJ-SFHVURJKSA-N 356.426 0.479 0 40 FCAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2cccn(C)c2=O)C1 225502407 DXNSCNCKPBGKNV-CYBMUJFWSA-N 357.414 0.925 0 40 FCAB Cc1oc([C@@H]2OC[C@@H](O)[C@H]2O)cc1C(=O)NCCNC(=O)c1ccccc1 257210802 BWFUIIHYSJUBPY-OIISXLGYSA-N 374.393 0.541 0 40 FCAB CC(=O)NC[C@]1(O)CCN(C(=O)Cc2ccc3ccccc3c2)C[C@H]1O 257288698 PVFLCGSYADWDHZ-UYAOXDASSA-N 356.422 0.843 0 40 FCAB Cc1snnc1C(=O)N1CCc2ncnc(N3CCOCC3)c2CC1 1565541592 CCYRQMZEOPZANT-UHFFFAOYSA-N 360.443 0.714 0 40 FCAB O=C(CCc1ccc[nH]1)N1CCOC[C@]2(C[C@H](Cn3cnnc3)CO2)C1 1565547107 KPKQDVKYQRMAIV-QAPCUYQASA-N 359.430 0.873 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 1565556412 HHLKVIPTBJJIMZ-DZGCQCFKSA-N 372.512 0.842 0 40 FCAB c1cc(N2CCOCC2)nc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1 2079517347 UPPCOWNPFTUAMP-UHFFFAOYSA-N 366.429 0.911 0 40 FCAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCN(CC)CC3)=N2)cc1 5790803 FLADRWREEAAIDJ-INIZCTEOSA-N 373.457 0.906 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NNC(=S)Nc2ccccc2)CC1 6571649 DEIIUYNJTBCXNU-UHFFFAOYSA-N 356.473 0.676 0 40 FCAB COC(=O)c1cc(NC(=O)c2nc3ncccn3n2)cc(C(=O)OC)c1 6720928 FXKMCVILBAULFS-UHFFFAOYSA-N 355.310 0.950 0 40 FCAB Cn1c(SCC(=O)O)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 7425910 MGAUIQUCHMIZPF-UHFFFAOYSA-N 360.395 0.659 0 40 FCAB CCn1nnc2cc(C(=O)N3CCC(NS(C)(=O)=O)CC3)ccc21 10416974 ZENFTVXSRPPXHT-UHFFFAOYSA-N 351.432 0.605 0 40 FCAB COc1ccc(N2CCn3c2nnc(C(=O)NC[C@@H]2CCCO2)c3=O)cc1 12233910 GIJXEYOVYLOJFK-AWEZNQCLSA-N 371.397 0.707 0 40 FCAB COCC(=O)N1CCO[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19762731 STGVYPOCXZGSPP-KRWDZBQOSA-N 373.409 0.503 0 40 FCAB O=C(CN1CCOCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 21822363 YHSPTEBWUODAIU-UHFFFAOYSA-N 353.444 0.742 0 40 FCAB CON(C)S(=O)(=O)c1ccc(NC(=O)CN2CCSC2=O)cc1 29765540 AHEXXXPYFNSTJF-UHFFFAOYSA-N 359.429 0.976 0 40 FCAB CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 36048068 RJPZFIBKQGWLEH-UHFFFAOYSA-N 359.473 0.063 0 40 FCAB CN1CCN(c2ccc(CNC(=O)CCCNC(=O)C3CC3)cn2)CC1 58171856 CUGFHDJNUHNPRD-UHFFFAOYSA-N 359.474 0.756 0 40 FCAB O=C([C@@H]1CCS(=O)(=O)C1)N(CCN1CCOCC1)c1ccccc1 72069189 ONZUGZHKUAGDRW-OAHLLOKOSA-N 352.456 0.787 0 40 FCAB C/C=C/Cn1c(N2CCN(C(=O)CCC)CC2)nc2c1c(=O)[nH]c(=O)n2C 72260206 BXLLEAOZDOBIBH-GQCTYLIASA-N 374.445 0.448 0 40 FCAB CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)NCCN2C(=O)CCC2=O)O1 89662552 SLMVFAWQWXYJJP-RYUDHWBXSA-N 369.418 0.324 0 40 FCAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C(N)=O)cc21 95415182 VQSMIWDPOXXSLK-ZDUSSCGKSA-N 351.428 0.945 0 40 FCAB CC(=O)N1CCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 95963762 LLPUEJDAQMUIMN-UHFFFAOYSA-N 360.458 0.621 0 40 FCAB Cn1ccnc1CN1CC[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 96062371 BWOCSHRMTMPXGW-SFHVURJKSA-N 356.430 0.575 0 40 FCAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(S(=O)(=O)N(C)C)C1 96244484 MAEBZOJEXKQPOW-OAHLLOKOSA-N 355.464 0.131 0 40 FCAB CC(=O)Nc1nnc(S(=O)(=O)NCCN(C)c2ccccc2)s1 222613420 RRPSHRSIQVTFPN-UHFFFAOYSA-N 355.445 0.911 0 40 FCAB O=C(CNC(=O)c1ccccc1)NCc1ccnc(N2CCOCC2)n1 224218485 QPNQDKURJCSNGX-UHFFFAOYSA-N 355.398 0.359 0 40 FCAB CNC(=O)C1(N2CCC[C@H]2C(=O)N(C)Cc2cccnc2)CCOCC1 225404804 DEBQZXDZWZCBTA-INIZCTEOSA-N 360.458 0.800 0 40 FCAB biogenic,in-vitro O=C(Cn1ncccc1=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225729220 IPLDXSNVQAPFIL-UHFFFAOYSA-N 368.319 0.401 0 40 FCAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 229785094 SMCSYGSHRDGSMS-NXEZDXNNSA-N 371.345 0.952 0 40 FCAB CN(C(=O)Cc1cccs1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257204669 AVUWSBXCMUYGJN-CKEIUWERSA-N 351.472 0.463 0 40 FCAB CCc1nccn1CCC(=O)NC[C@@]1(O)CCN(c2cc(C)ncn2)C1 257231222 GFVMDEGAZWKUGD-SFHVURJKSA-N 358.446 0.692 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCC2CCN([C@H]3CCOC3)CC2)CC1 575617083 XVWLPGZTVRTAKP-INIZCTEOSA-N 373.519 0.275 0 40 FCAB COC[C@@]1(CC(N)=O)CN(C(=O)CCOc2ccc(F)cc2)CCO1 585276468 AJHNSMYQQIRBJT-QGZVFWFLSA-N 354.378 0.714 0 40 FCAB Cc1ccc(S(=O)(=O)NCCCNC(=O)CN2CCN(C)CC2)cc1 585655929 ITTLAVBJMBTOMT-UHFFFAOYSA-N 368.503 0.027 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@@H](NC(=O)CCc1ccc[nH]1)CC2 1565556500 LCIOKXFCXXMOAU-AWEZNQCLSA-N 359.430 0.651 0 40 FCAB CC(C)N(C)CC(=O)N1Cc2nnn(C)c2[C@H](COCCN(C)C)C1 1614936134 YITKPBGYHDGXBW-AWEZNQCLSA-N 352.483 0.159 0 40 FCAB CC(C)N(C)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1)CCO2 1784772092 OJYRRGLMAWGDIR-IBGZPJMESA-N 360.458 0.865 0 40 FCAB CCNC(=O)C[C@@H]1C(=O)N(C)C(=S)N1NC(=O)c1ccc(Cl)cc1 1075604 NICWIFFDVCKZGG-LLVKDONJSA-N 368.846 0.939 0 40 FCAB CCCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1 2606995 VPYUHAMUZLZGSH-UHFFFAOYSA-N 364.383 0.756 0 40 FCAB CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccc(OC)cc3)CO[C@H]12 4235737 DSVYMFBYABSSOI-GBJTYRQASA-N 350.371 0.706 0 40 FCAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(N)=O 6028432 AIHLVJMEMOHERB-UHFFFAOYSA-N 370.427 0.902 0 40 FCAB CCOc1ncccc1C(=O)OCC(=O)NCCN1C(=O)CSC1=O 7779112 PAYGYKUBDVBMDK-UHFFFAOYSA-N 367.383 0.449 0 40 FCAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(N)=O 12401314 AILDYALPAQTQDW-CQSZACIVSA-N 353.444 0.992 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1 14100800 BFQOTQSIFQKYJB-UHFFFAOYSA-N 358.420 0.050 0 40 FCAB Cc1c(C(=O)NCCC(=O)N2CCOCC2)nnn1-c1ccc(F)cc1 19557723 ATAJFPGROJKXHN-UHFFFAOYSA-N 361.377 0.694 0 40 FCAB COc1ccccc1CCNC(=O)[C@H]1CN(Cc2cnn(C)c2)CCO1 19747182 PTSBURMYOYORKH-GOSISDBHSA-N 358.442 0.988 0 40 FCAB COc1ccc(NC(=O)c2ccn(C)c(=O)c2)cc1S(=O)(=O)N(C)C 23053862 QPUKXFPVHNGUTD-UHFFFAOYSA-N 365.411 0.897 0 40 FCAB CN(C)S(=O)(=O)N1CCN(CCC(=O)Nc2cccc(F)c2)CC1 26169604 DKWINYWUZWTKJD-UHFFFAOYSA-N 358.439 0.578 0 40 FCAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 42533248 VZCLFSQBBTUWAT-NSHDSACASA-N 356.473 0.855 0 40 FCAB COC(=O)[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)c(C)c1)C(C)C 58197285 QFMMEIKFAAEXGF-ZDUSSCGKSA-N 353.404 0.447 0 40 FCAB Cc1nnnn1-c1cc(NC(=O)N[C@H](C)CN2CCOCC2)ccc1F 69716098 MZYPRXJNAZBBEZ-LLVKDONJSA-N 363.397 0.952 0 40 FCAB Cn1c(=O)[nH]cc(C(=O)NCCCOc2cccc3cccnc23)c1=O 75107665 HQJKPGNMSXQSFG-UHFFFAOYSA-N 354.366 0.821 0 40 FCAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCCn1ccnc1 80296632 UZKYGOMZYFWLCO-LBPRGKRZSA-N 354.407 0.896 0 40 FCAB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cncnc2OC)cn1 95461286 XMUXLGDHDSKWDT-UHFFFAOYSA-N 358.402 0.981 0 40 FCAB CN(C)CCNc1c(NC[C@@H](c2ccco2)N2CCOCC2)c(=O)c1=O 101691911 IPQCUWWLUJWALK-ZDUSSCGKSA-N 362.430 0.335 0 40 FCAB COc1cccc(OC)c1CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 222556921 LXACFTDIZNSLQX-LBPRGKRZSA-N 356.444 0.992 0 40 FCAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1 223185136 WGPAAYYWCXTMBS-OAHLLOKOSA-N 356.430 0.968 0 40 FCAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@@H]21 247524750 MPNAONHSRSQTAJ-UMVBOHGHSA-N 356.419 0.391 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3cn(C)c4ccccc34)C2)CN1C 247720826 APDNLGNBGUUNJL-INIZCTEOSA-N 356.426 0.450 0 40 FCAB CNC(=O)c1cnn2c([C@@H]3CCN(C(=O)C4CCOCC4)C3)ccnc12 257281081 ONMYSFUDKJKLJD-CYBMUJFWSA-N 357.414 0.831 0 40 FCAB C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)C[C@H]1CCOC1 328933562 PQVGWFJORVCASR-OLZOCXBDSA-N 351.428 0.741 0 40 FCAB O=S1(=O)CCC(O)(Cn2cc(I)cn2)CC1 407948330 CNIFTAMLSTYKQF-UHFFFAOYSA-N 356.185 0.427 0 40 FCAB COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NC(=O)Nc2ccc(F)cc2)nn1 1549162773 WGJKLSOZWILKHY-RRFJBIMHSA-N 365.365 0.514 0 40 FCAB CCOC(=O)CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)OC 1565504877 ZAFKLSDNZTZUKA-GFCCVEGCSA-N 372.418 0.951 0 40 FCAB CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)C4CC4)CC3)[C@@H]1CN(C)C2 2055796243 ZBSGERQVFCIVNC-WMLDXEAASA-N 355.504 0.649 0 40 FCAB COc1ccccc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 3453277 XFIRYZWPVZFHBG-UHFFFAOYSA-N 356.425 0.821 0 40 FCAB CO[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1NS(=O)(=O)Cc1ccccc1 4897577 IZZAWLWAMFDOBV-LXTVHRRPSA-N 357.428 0.997 0 40 FCAB CCCCn1nnnc1CN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=O 5563524 LIMJXQRLQYBCBD-UHFFFAOYSA-N 358.358 0.977 0 40 FCAB COC(=O)CSc1nc(C2CCCC2)nc2c1c(=O)n(C)c(=O)n2C 7392354 QRORCHPKQJERGJ-UHFFFAOYSA-N 364.427 0.950 0 40 FCAB CN(C)C(=O)CN1C(=S)N(c2ccccc2F)[C@@H]2CS(=O)(=O)C[C@H]21 9340291 UFTDFGBLUYARQI-CHWSQXEVSA-N 371.459 0.486 0 40 FCAB CCN(CC)C(=O)CN1CCC[C@H](c2ncncc2S(C)(=O)=O)C1 12154661 WSFKUYBYOORIGC-ZDUSSCGKSA-N 354.476 0.928 0 40 FCAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)N1CCn2c(nnc2C2CC2)C1 12158660 DUJVOKXZZZXMHF-VZAMPYOESA-N 369.425 0.529 0 40 FCAB Cc1nc2cc(N[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)ccc2o1 12514332 ZMEKNMRYQRBSIR-MRVPVSSYSA-N 357.370 0.799 0 40 FCAB Cc1nc(NC(=O)CN2CCC(C(N)=O)CC2)nc2c1C(=O)C[C@@H](C)C2 13636291 FXQQAHYNVJGIAH-JTQLQIEISA-N 359.430 0.686 0 40 FCAB COc1ccc(N(CC(=O)NCCN(C)C)S(C)(=O)=O)cc1Cl 13672452 QIRFXXQTSGIWBF-UHFFFAOYSA-N 363.867 0.792 0 40 FCAB CC(C)C[C@H](NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21)C(=O)O 20758833 CLNJQVSVZAJVGI-LBPRGKRZSA-N 362.386 0.770 0 40 FCAB biogenic COc1ccc(CN(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1OC 40024410 LPAQZZOYGKYFBU-VQHVLOKHSA-N 373.409 0.773 0 40 FCAB Cn1c(CN2CCN(Cc3cn4ccccc4n3)CC2)cc(=O)n(C)c1=O 40033477 KWZYFLZTXDYSHX-UHFFFAOYSA-N 368.441 0.050 0 40 FCAB Cc1ccc(CN(Cc2ncc(CC(=O)O)c(=O)[nH]2)S(C)(=O)=O)cc1 49468636 GQERBCLYAHCAKA-UHFFFAOYSA-N 365.411 0.667 0 40 FCAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCCCn3ccnc3)ccc21 49550435 UJJOQTDZCJAJRF-UHFFFAOYSA-N 356.386 0.219 0 40 FCAB COCCNC(=O)NC(=O)CN1CCCC[C@@H]1CNC(=O)OC(C)(C)C 50962946 WVBJXPPXUJEKJG-CYBMUJFWSA-N 372.466 0.838 0 40 FCAB C[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)C(=O)N1CCOCC1 58181688 VYXNBMHEBOEOCN-GFCCVEGCSA-N 363.439 0.489 0 40 FCAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2cc[nH]n2)C3)C[C@H](C)O1 72346964 PHWISCQCZPTXAU-QWRGUYRKSA-N 358.402 0.305 0 40 FCAB Cn1cc(CCC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cn1 95999359 JTCUKSKYDCTFBY-UHFFFAOYSA-N 374.466 0.956 0 40 FCAB CN(C)c1ncccc1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 96005449 JXQIYQYYXAKWMZ-UHFFFAOYSA-N 352.460 0.834 0 40 FCAB CC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)N(C)C)C[C@@H]32)C(=O)N1CC1CC1 96261493 QDKQVUODTVRTCP-IJEWVQPXSA-N 354.476 0.544 0 40 FCAB CCNC(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3cnn(CC)c3)C2)O1 306137008 QIVHSWUIAWLHIF-SJLPKXTDSA-N 365.478 0.972 0 40 FCAB CNc1cc(C(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)ccn1 585082093 BZRASKDJGOJFLR-UHFFFAOYSA-N 360.439 1.230 0 40 FCAB Cc1cnc(CNC(=O)[C@H]2C[C@]3(CO2)CN(Cc2cnc[nH]2)CCO3)nc1 1565541667 LTGIZWNGOVUROV-CRAIPNDOSA-N 372.429 0.184 0 40 FCAB CNC(=O)c1nn[nH]c1NC(=O)N[C@@H](c1ccccc1)c1cnn(C)c1 1674187615 MJUODKMUCYTKJR-LBPRGKRZSA-N 354.374 0.809 0 40 FCAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)c5cnc[nH]5)C[C@H]4C3)n1)CCC2 1888890364 DCVCUSOAAMNLPU-BETUJISGSA-N 374.470 0.754 0 40 FCAB CCN=c1ccnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)[nH]1 1889128392 XVYMOUPCSJGGGQ-UHFFFAOYSA-N 372.454 0.601 0 40 FCAB COC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3cccc(OC)c3)C2=O)C1 5093057 JLDGVSQCJHFICB-QGZVFWFLSA-N 359.338 0.479 0 40 FCAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CCOCC1 5255688 RQSIHLHHQVFDDW-UHFFFAOYSA-N 352.192 0.961 0 40 FCAB CN(C)c1cccc(C(=O)OCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c1 8486733 URDGHRXSOGHQRO-UHFFFAOYSA-N 372.381 0.559 0 40 FCAB O=S(=O)(NC1CCN(c2ccc3nnnn3n2)CC1)c1cccs1 8707436 PADCMSQJBAIDAY-UHFFFAOYSA-N 365.444 0.528 0 40 FCAB Cn1ncc2c(N3CCN([C@H](C(N)=O)c4ccc(F)cc4)CC3)ncnc21 12972959 WBEXWNQWTFINQG-HNNXBMFYSA-N 369.404 0.851 0 40 FCAB OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](N2CCOCC2)[C@@H]1O 20464818 OJZZOFBTOMSNDT-YYIAUSFCSA-N 356.850 0.251 0 40 FCAB biogenic,in-vitro COCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566913 VPIWAWDBIRRSNV-XTDOFWJNSA-N 357.410 0.709 0 40 FCAB COC(=O)C1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 23652363 ZXWAZIDVACAGEW-IBGZPJMESA-N 373.409 0.865 0 40 FCAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 23864748 YRGZCGBCJBEVIW-VIFPVBQESA-N 360.370 0.121 0 40 FCAB O=C(c1cncn1-c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23990080 UIMHLRFDJVYLQD-INIZCTEOSA-N 374.466 0.817 0 40 FCAB C[C@@H]1CN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CCO1 24002341 CROXWELGVHSZLA-CYBMUJFWSA-N 372.425 0.081 0 40 FCAB COC[C@H](C)NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 32489487 SXXZTQMEMOESAP-HNNXBMFYSA-N 363.458 0.727 0 40 FCAB COCCn1cnnc1SCC(=O)NC[C@@H]1COc2ccccc2O1 32849173 GQKBRDBCQVLHHL-GFCCVEGCSA-N 364.427 0.973 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(C[C@@H]2CCCO2)CC1 32987865 OBBBVCWZXQGLRK-HNNXBMFYSA-N 356.426 0.720 0 40 FCAB C[C@H](CN1CCOCC1)NC(=O)Cn1cc(Br)ccc1=O 46889854 IKZTXBCVRLFASK-LLVKDONJSA-N 358.236 0.448 0 40 FCAB CCCOc1ccccc1OCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC 57993652 YEKIIVYSTLZBID-ZDUSSCGKSA-N 364.398 0.744 0 40 FCAB COCc1cc(=O)n(CC(=O)NC2CCCCC2)c(N2CCOCC2)n1 67219751 LAIVTSUDMBUIDK-UHFFFAOYSA-N 364.446 0.675 0 40 FCAB Cc1nc(N(C)C)sc1C(=O)Oc1cccc(C(=O)NCC(N)=O)c1 95468010 IBIWAHMUPCGARY-UHFFFAOYSA-N 362.411 0.952 0 40 FCAB Cn1cc(CN2CCn3cc(CNC(=O)c4cccn4C)nc3C2)cn1 96059478 SSVKWUOBZRJCDM-UHFFFAOYSA-N 353.430 0.901 0 40 FCAB CCS(=O)(=O)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CCOC 96143070 QBZWYEMEYYXEIH-OAHLLOKOSA-N 374.484 0.588 0 40 FCAB O=C(O)c1[nH]c(=O)n(-c2cccc(Cl)c2)c(=O)c1CN1CCOCC1 222664664 AVXKGXZARUBSTI-UHFFFAOYSA-N 365.773 0.710 0 40 FCAB CCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224325974 IVXIXUJGHAQYEY-UHFFFAOYSA-N 355.464 0.175 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)COC2CCCC2)Cc2cncn21 247518394 KPPMYMHGYNGKMQ-ZDUSSCGKSA-N 356.448 0.275 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 257291819 QISXANGIGRAPSV-LLVKDONJSA-N 354.432 0.142 0 40 FCAB CC(=O)N1CCN(C(=O)CCn2ncc3ccccc32)C[C@H]1C(=O)N(C)C 257311065 UHUKSDKWRURSNH-KRWDZBQOSA-N 371.441 0.574 0 40 FCAB COc1cc(OC)cc(S(=O)(=O)N[C@H](C(=O)O)c2ccnn2C)c1 517231137 SNICKHVMPSJBNS-ZDUSSCGKSA-N 355.372 0.542 0 40 FCAB Cn1cnc2c(N3CCN(c4ncnc5c4cnn5C)CC3)ncnc21 599451635 JIKQUHMWYXZQRB-UHFFFAOYSA-N 350.390 0.367 0 40 FCAB Cc1nnc2n1C[C@@H](C(=O)Nc1ccc(N3CCCC3=O)cn1)N(C)C2 644395675 VCEIPTKQYPGHGQ-ZDUSSCGKSA-N 355.402 0.561 0 40 FCAB O=C(CNS(=O)(=O)c1ccccc1)N1CCO[C@H]([C@H]2CCCO2)C1 1118208441 LWNHCURUIKIRPU-CABCVRRESA-N 354.428 0.371 0 40 FCAB COCc1nc2n(n1)C[C@H](NC(=O)N1CC[S@](=O)C(C)(C)CC1)CC2 1230165382 YJOOCHZJLFKGET-YDBLSZJJSA-N 369.491 0.682 0 40 FCAB Cc1nc(N2C[C@H]3CN(C(=O)c4cc(C)n(C)n4)C[C@@H]3C2)nc(O)c1F 1888860228 COJCPLPLBLHCOQ-VXGBXAGGSA-N 360.393 0.880 0 40 FCAB Cn1ccnc1C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2OCC(=O)NC[C@H]21 2037984966 TYCDZAYKOOLAEF-IIAWOOMASA-N 358.373 0.682 0 40 FCAB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)NCCc3ccccc3)ccc21 1425433 MMHDGQCLZKYUTN-UHFFFAOYSA-N 373.434 0.758 0 40 FCAB C[C@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 4162143 CKJCJUKVEFJGJO-JTQLQIEISA-N 365.459 0.464 0 40 FCAB Cn1c(=O)c2c(ncn2CCCC(=O)N2CCc3ccccc32)n(C)c1=O 6657818 WNVJVTNPAAVMHP-UHFFFAOYSA-N 367.409 0.803 0 40 FCAB CCOC(=O)c1cnc(SCC(=O)OCC(=O)N[C@H](C)CC)nc1N 7147932 VMXWGQZVSLRFRT-SECBINFHSA-N 370.431 0.786 0 40 FCAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1 8298761 OHKAYGACEBQSTH-OLMNPRSZSA-N 373.432 0.936 0 40 FCAB biogenic,in-vitro CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)O 12417066 JZJFUWJJEDHNRG-SCZZXKLOSA-N 374.440 0.891 0 40 FCAB CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(CC)CC2)cc1 12422837 JUTBLEQVOVJTMI-UHFFFAOYSA-N 369.487 0.782 0 40 FCAB C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H](C)O1 14084923 PDTXPSSMUWEMIM-VXGBXAGGSA-N 362.473 0.735 0 40 FCAB Cc1nnc(SCc2cc(=O)[nH]c(N3CCN(CCO)CC3)n2)s1 24252122 RQFMHPZFPSZPHH-UHFFFAOYSA-N 368.488 0.336 0 40 FCAB CS(=O)(=O)N1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 24776000 QLIKWZUCIPAGBB-UHFFFAOYSA-N 354.428 0.494 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@@H](O)c2ccco2)CC1 27205097 NPCXBKBBKTULBB-CYBMUJFWSA-N 355.416 0.924 0 40 FCAB COCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 34857708 HQXOQEQYOPGYIU-UHFFFAOYSA-N 369.487 0.372 0 40 FCAB CCc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 36390054 XBYFJFSHFPGABK-UHFFFAOYSA-N 351.472 0.834 0 40 FCAB NS(=O)(=O)CCCNC(=O)c1ccccc1I 40382527 GONZIOJKFZHGIX-UHFFFAOYSA-N 368.196 0.700 0 40 FCAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CCS(=O)(=O)C1 57440602 ZCPTWNMRWAPIGX-AWEZNQCLSA-N 371.890 0.765 0 40 FCAB Cc1ccccc1-n1nc(C(=O)N2C[C@@H](O)C[C@H]2C(N)=O)c2c1CCC2 89700331 CPNGESOOSAYPTI-LRDDRELGSA-N 354.410 0.730 0 40 FCAB C[C@@H](OC(=O)Cn1ncn(C)c1=O)C(=O)Nc1ccccc1OC(F)F 95466550 UDXAWCXHWAABOW-SECBINFHSA-N 370.312 0.754 0 40 FCAB CCc1cnc(N2C[C@@H]3[C@@H](C(=O)NC(C)C)CCS(=O)(=O)[C@@H]3C2)nc1 96250946 NFCPPYQWMXLWQZ-RRFJBIMHSA-N 366.487 0.803 0 40 FCAB Cc1ccc(C)c(-n2nnnc2SCc2cc(=O)n3nc(N)[nH]c3n2)c1 103936783 QJYTUCBPKDLJRX-UHFFFAOYSA-N 369.414 0.885 0 40 FCAB CN1CC[C@@H](COCC2CC2)CC12CN(S(=O)(=O)c1cn(C)cn1)C2 248114202 IDPPKWJWDKIIOK-OAHLLOKOSA-N 368.503 0.932 0 40 FCAB Cc1cnc(C(=O)N2CCN(CCc3ccccc3)[C@H](C(N)=O)C2)cn1 257283323 OXUISXWUJYMGLU-KRWDZBQOSA-N 353.426 0.639 0 40 FCAB Cc1cn([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]2O)c(O)nc1=O 257300090 RSVZXSWNXAPBHT-DDHJBXDOSA-N 355.391 0.207 0 40 FCAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(CC)CC2)cc1 408625701 UAVLYRBEHJMYRW-CQSZACIVSA-N 369.487 0.916 0 40 FCAB O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1nnc(O)nc1O 683255356 GVTJWGXBJKIDGY-ZDUSSCGKSA-N 359.386 0.304 0 40 FCAB COCCNC(=O)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(-c2ccccc2)nn1 1549159249 SXFNEQJAGTYBRX-ARFHVFGLSA-N 361.402 0.019 0 40 FCAB CCc1ncnc(N2C[C@H]3CN(c4cc(=O)n(C)c(=O)n4C)C[C@H]3C2)c1F 1888842816 HMJAIUOMHMJITC-TXEJJXNPSA-N 374.420 0.148 0 40 FCAB Cc1ccn(-c2ccc(N3CCN(c4cc(=O)n(C)c(O)n4)CC3)nn2)n1 1889139231 HONIYIDFVYHDJR-UHFFFAOYSA-N 368.401 0.097 0 40 FCAB O=C([C@H]1CN(Cc2nnc3n2CCC3)CCO1)N1CCC(F)(F)CC1 2087129911 RJYRSXJAWIGSQB-GFCCVEGCSA-N 355.389 0.683 0 40 FCAB Cc1ccc(-c2c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCO)cc1 4626116 IZHCHBXHPWXDED-UHFFFAOYSA-N 367.409 0.963 0 40 FCAB COc1ccccc1C(=O)NCC(=O)OCC(=O)N1C[C@H](C)O[C@@H](C)C1 6268226 MOAUVPGJEKGPEW-STQMWFEESA-N 364.398 0.604 0 40 FCAB COc1ccc(CN(C)C(=O)Cn2cnc3c(cnn3C)c2=O)c(OC)c1 8734006 NJRNTJRRNQUXKO-UHFFFAOYSA-N 371.397 0.806 0 40 FCAB COc1ccc(C(=O)NC2CCC(O)CC2)cc1S(=O)(=O)N(C)C 10031437 GHVHYDMHKJXEQE-UHFFFAOYSA-N 356.444 0.979 0 40 FCAB Cc1c(Cl)cccc1N(CC(=O)N1CCN(C=O)CC1)S(C)(=O)=O 10283528 NQLNZHHDYLKJLT-UHFFFAOYSA-N 373.862 0.715 0 40 FCAB Cn1c(Cn2cnc3sc4c(c3c2=O)CCCC4)cc(=O)n(C)c1=O 10497733 VYTGYSAGGPDCEX-UHFFFAOYSA-N 358.423 0.783 0 40 FCAB CS(=O)(=O)Cc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1 11543749 LIZPYZXXUIURCT-UHFFFAOYSA-N 360.439 0.984 0 40 FCAB COC[C@@H](C)NC(=S)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 13038570 GGVDMTAOKLMULW-QLJPJBMISA-N 366.443 0.876 0 40 FCAB O=C1CC[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)N1 13610138 LCHVIENXLWXKIM-GHMZBOCLSA-N 363.395 0.534 0 40 FCAB C/C=C/C(=O)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164528 JTZIHLAMLDURIX-MOESHBJCSA-N 370.453 0.628 0 40 FCAB CCOc1ccc(N2C[C@H](C(=O)OCc3nc(N)nc(N)n3)CC2=O)cc1 17666335 OFQPMXRSLPRNAN-SNVBAGLBSA-N 372.385 0.531 0 40 FCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1cccc(C)c1 20801533 DYUHJOYMCBUMHL-HOTGVXAUSA-N 372.425 0.475 0 40 FCAB CON(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 36339757 LJMJLTFYTGZKEX-GFCCVEGCSA-N 356.400 0.631 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCCCCC2)C1 38755558 GXIGVIBYTREGMK-INIZCTEOSA-N 374.551 0.887 0 40 FCAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N1CCN(C)CC1)O2 38858545 OBZQONWFFORBPE-HNNXBMFYSA-N 353.444 0.296 0 40 FCAB CC(C)[C@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)N1CCOCC1 40040753 LIRUCZBQEZOXRJ-KRWDZBQOSA-N 358.442 0.939 0 40 FCAB CC(C)OCCS(=O)(=O)NCC(=O)N1CCc2c(ncn2C2CC2)C1 95406590 YRYUXHHETWVXNS-UHFFFAOYSA-N 370.475 0.447 0 40 FCAB COC(=O)[C@H](CO)NC(=O)CSc1nncn1-c1ccc(OC)cc1 95948000 LVOGXPAKGARXQY-LBPRGKRZSA-N 366.399 0.018 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(=O)c1cnccn1)CCN(C(=O)N(C)C)C2 96036231 QGZPNNSAWVWHCS-GOSISDBHSA-N 374.445 0.155 0 40 FCAB Nc1ncnc2c1ncn2[C@@H]1CO[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H]1O 230402731 NHLVQOCMTCXGKK-YYTKTWKHSA-N 369.381 0.824 0 40 FCAB CCS(=O)(=O)CCN1CC2(C[C@H](Oc3cncc(C)n3)CCO2)C1 253601248 NIVQEYMRNZEWED-CQSZACIVSA-N 355.460 0.832 0 40 FCAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)Cn2cccnc2=O)n1 257266255 MCEUDFPNGAWRMW-MRXNPFEDSA-N 355.398 0.638 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cncc(-c3cnn(C)c3)n2)CC1 257276356 NTIUNSKSIJYNDK-UHFFFAOYSA-N 364.475 0.938 0 40 FCAB CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257318646 VOWGFTOSFOQODH-GOEBONIOSA-N 359.417 0.692 0 40 FCAB Cn1ccnc1[C@H]1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 332764513 XXWTXPCGPCGWJS-STQMWFEESA-N 355.464 0.343 0 40 FCAB O=C1[C@H](NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C[C@@H]2CCCCN12 518136123 IDYIVEXINGSRDE-GZMMTYOYSA-N 369.374 0.692 0 40 FCAB O=C(CN1CC(=O)NC1=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 548024457 FMNWIKIVYOADKE-QWRGUYRKSA-N 354.407 0.329 0 40 FCAB CNC(=O)CC[C@@]1(O)CCCN(CC(=O)NCc2ccc(F)cc2)C1 585278094 LNWMDOKPCXZTFW-SFHVURJKSA-N 351.422 0.795 0 40 FCAB O[C@@H]1[C@H](O)COC[C@H]1N1CCN(Cc2cccn2-c2ccccn2)CC1 585290482 DTDJALUGELESLP-LMMKCTJWSA-N 358.442 0.111 0 40 FCAB Cc1cn2ccnc(C(=O)N3Cc4nnc(C)n4C[C@@H]3CN(C)C)c2n1 685942370 JUAKVIPZABUTIR-ZDUSSCGKSA-N 354.418 0.524 0 40 FCAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)[C@@H]2CCOC2)Cc2ncnn2C1 1565546548 GNUIHWJGDYSBTK-CVEARBPZSA-N 369.425 0.589 0 40 FCAB O=C(NCc1cccs1)[C@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1 2055713298 WNWFPJWKZSOGHA-NSHDSACASA-N 371.426 0.651 0 40 FCAB CNC(=O)[C@]1(n2cccn2)CCCN(S(=O)(=O)c2cccc(F)c2)C1 2055772714 SUFOWUSHQWUYOM-INIZCTEOSA-N 366.418 0.948 0 40 FCAB COc1ccc(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 928641 LBXJVPFWBBNXPA-UHFFFAOYSA-N 374.422 0.954 0 40 FCAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCO)CSC3)cc1 4941654 HCUUUQUQOSDHCJ-UHFFFAOYSA-N 362.411 0.675 0 40 FCAB Cn1c(=O)c2c(ncn2CCC(=O)NCCc2ccc(F)cc2)n(C)c1=O 4943440 LHELXBPGQADURJ-UHFFFAOYSA-N 373.388 0.322 0 40 FCAB CCOC(=O)Cc1nnc(S[C@H](C)C(=O)NC(=O)NC(C)C)n1C 8745626 ZJBKHOHJCCYYMW-SECBINFHSA-N 357.436 0.636 0 40 FCAB Cn1c(=O)c2cc(C(=O)NCCOCC(F)(F)F)ccc2n(C)c1=O 12428031 CAUMVVJPNNCUJB-UHFFFAOYSA-N 359.304 0.546 0 40 FCAB Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCOc4ccccc43)cnc21 12815862 OTUYQWYBEDDFDH-CYBMUJFWSA-N 352.350 0.875 0 40 FCAB COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 13511463 CDJOOPAKRYLKIS-UHFFFAOYSA-N 357.414 0.735 0 40 FCAB O=C(c1cn(C[C@H]2CCCN(C(=O)c3cc[nH]n3)C2)nn1)N1CCOCC1 19292549 QYUNEOQONNVMKS-ZDUSSCGKSA-N 373.417 0.026 0 40 FCAB O=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)NCc1ccc(Cl)cc1 36357407 PKUBDHBTPVCXCC-GFCCVEGCSA-N 359.835 0.443 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)cn1 97081394 JQAAKESPLMTXBB-AWEZNQCLSA-N 352.416 0.976 0 40 FCAB CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)O)CC1 100773990 BLKNOEDDSJAVEH-RVMXOQNASA-N 359.492 0.579 0 40 FCAB O=C(NC[C@H]1C[C@@H]2C=C[C@@H]1C2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 169680654 LCARHFBRMFETSR-AAVRWANBSA-N 365.455 0.480 0 40 FCAB NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 226318268 PDGVEKZDZCAVHN-LBPRGKRZSA-N 351.428 0.699 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1cc(C)nn1C)CC2 248038392 NHDTXYPRIOOBRJ-OAHLLOKOSA-N 370.519 0.849 0 40 FCAB COc1ncc(CN2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 257308707 TXUCURFHPKMWNQ-GFCCVEGCSA-N 351.432 0.991 0 40 FCAB C[C@@]1(O)CC2(CCNCC2)OC[C@H]1n1cc(Br)c(O)nc1=O 257337399 YSPXMVPXTUWKLS-ZWNOBZJWSA-N 374.235 0.546 0 40 FCAB COc1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4cccnc4)[C@H]3C2)ncn1 306131759 KPCOGTNPHBYNCV-RBSFLKMASA-N 355.398 0.761 0 40 FCAB COCCNC(=O)c1nnc2n1C[C@@H]1CN(C(=O)c3ccco3)C[C@@H]1C2 306135428 OQIFOLWECLIRLV-RYUDHWBXSA-N 359.386 0.192 0 40 FCAB NS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 332680836 FPZJXZBLMSCLEO-OLZOCXBDSA-N 353.448 0.123 0 40 FCAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CN(C)[C@H](C(=O)N(C)Cc1ccccn1)CO2 575404840 DPPXNTKMHCZBJF-OIISXLGYSA-N 372.469 0.608 0 40 FCAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cc2cc[nH]c(=O)c2s1 648813091 PGQYNKMPMXISAB-KOLCDFICSA-N 369.468 0.989 0 40 FCAB COc1ccc(S(=O)(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)cc1C(=O)O 650702285 AFEPGQMWZWIFCQ-TZMCWYRMSA-N 371.411 0.960 0 40 FCAB Cn1cccc1C(=O)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@@H]2C1 1549162301 PCRJAOVAEDKHAG-AWEZNQCLSA-N 358.398 0.293 0 40 FCAB CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)NC(C)C 6552481 GGOXZKSCFLSBMT-UHFFFAOYSA-N 356.448 0.119 0 40 FCAB NC(=O)C1CCN(S(=O)(=O)CCCOc2ccc3c(c2)OCO3)CC1 11027377 LKASCDPOPZAMQI-UHFFFAOYSA-N 370.427 0.711 0 40 FCAB COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3ccncc3)C2)nn1 12145298 KXFPGMJAFZJDFO-AWEZNQCLSA-N 372.429 0.602 0 40 FCAB O=C1COc2ccc(S(=O)(=O)NCCOC[C@H]3CCCO3)cc2N1 12188027 YYTMJXUNXVHTNQ-LLVKDONJSA-N 356.400 0.491 0 40 FCAB CN(C(=O)CN1CCN(c2ccccc2F)CC1)[C@@H]1CCS(=O)(=O)C1 12533845 OLDKJZOZGCARLA-CQSZACIVSA-N 369.462 0.593 0 40 FCAB C[C@@H](NC(=O)Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)c1ccco1 13009699 NEENMPNWJSRHDG-QMTHXVAHSA-N 351.334 0.929 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)NCc3cnn(-c4ccccc4)c3)cnc21 14170131 BOOLYXHTVSBCNH-UHFFFAOYSA-N 363.381 0.632 0 40 FCAB CCOC(=O)CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858233 GFUOHXFRHKHOLX-UHFFFAOYSA-N 374.802 0.699 0 40 FCAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cnc2c(cnn2C)c1=O 48355854 SJOZEWHWMWYJED-GFCCVEGCSA-N 369.381 0.428 0 40 FCAB CC(=O)NCCNS(=O)(=O)c1cc(N(C)C)ccc1Br 89962703 MZZRCHPZAQFUJD-UHFFFAOYSA-N 364.265 0.930 0 40 FCAB CCC(=O)N1CCc2cc(S(=O)(=O)N3CCC(C(N)=O)CC3)ccc21 225090042 OYUVWYSJQWPGPN-UHFFFAOYSA-N 365.455 0.872 0 40 FCAB CCN1C(=O)COc2ccc(S(=O)(=O)NCc3cc(C)n(C)n3)cc21 227162188 IDHAODJTBJEHTQ-UHFFFAOYSA-N 364.427 0.952 0 40 FCAB Cc1ccnc(C(=O)N2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)c1 247841071 PZUTXYCPAOHVDB-CYBMUJFWSA-N 353.444 0.560 0 40 FCAB Cn1nc(C(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)ccc1=O 253473529 VTJNDJMTYMLKHV-CYBMUJFWSA-N 356.338 0.230 0 40 FCAB O=C(NC[C@]1(O)CN(Cc2ccccc2F)C[C@H]1O)c1cscn1 257276866 NVLAOMBFEOTEGS-ZBFHGGJFSA-N 351.403 0.620 0 40 FCAB Cc1c(C(=O)N[C@@H](C(N)=O)c2ccccc2)nnn1Cc1ccncc1 505949470 TYVQGVWUZWWHEZ-MRXNPFEDSA-N 350.382 0.986 0 40 FCAB CN(C)S(=O)(=O)N1CCN(Cc2c(Cl)cccc2C(=O)O)CC1 656761579 RTEAMXQYVMZMJW-UHFFFAOYSA-N 361.851 0.962 0 40 FCAB CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC2(CC1)NC(=O)CO2 1615588988 FCQGREYESJDUCO-HIFRSBDPSA-N 366.462 0.672 0 40 FCAB COc1cc(N2CCN(c3cc(=O)n4ccccc4n3)CC2=O)ccn1 1888890881 PEOBECZVTPFIKE-UHFFFAOYSA-N 351.366 0.951 0 40 FCAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)NCC(F)(F)F 3327030 BIGKGUHMSVLQKM-AWEZNQCLSA-N 357.288 0.895 0 40 FCAB CC1(C)NC(=O)N(CC(=O)OCC(=O)N2CCC(c3ccccc3)=N2)C1=O 4361486 ZVRDHPOWVNKRSY-UHFFFAOYSA-N 372.381 0.497 0 40 FCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H]1COC2(CCCC2)O1 5352701 IJOKESAGJGRMLJ-CYBMUJFWSA-N 362.382 0.833 0 40 FCAB Cc1ccccc1OCCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 5988980 GHYLDIRQLZYXKE-ZDUSSCGKSA-N 355.412 0.610 0 40 FCAB Cc1cccn2c(=O)cc(COC(=O)CCCN3C(=O)CNC3=O)nc12 7219547 XJTWZLOONBCVJZ-UHFFFAOYSA-N 358.354 0.378 0 40 FCAB CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 8507567 VCPLCWVZAYWIEC-NSHDSACASA-N 357.363 0.119 0 40 FCAB O=C(Cn1ncc(=O)c2ccccc21)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 8776195 SYRYNXJYTLLLRV-CYBMUJFWSA-N 361.423 0.575 0 40 FCAB COCCCNC(=O)Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O 35315520 GEQQWISWQHOLRS-UHFFFAOYSA-N 359.382 0.834 0 40 FCAB C[C@@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@@H](C)O 49181838 DNDACVRMGDHDQY-GHMZBOCLSA-N 369.370 0.026 0 40 FCAB biogenic,in-vitro CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](CN)C2)c1 50246844 XHQUJURMSTZCEJ-VIFPVBQESA-N 352.865 0.713 0 40 FCAB O=C1CN(CC(=O)NC(=O)Nc2ccc(Br)cc2)CCN1 57315473 IQUAGQMUPJBSQI-UHFFFAOYSA-N 355.192 0.529 0 40 FCAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 58186292 NUUTVXFCKVSKPU-GFCCVEGCSA-N 363.480 0.689 0 40 FCAB CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C(N)=O)Cc3ccccc32)cc1 58306577 QNTIPIGOIOFLDV-CQSZACIVSA-N 373.434 0.899 0 40 FCAB Cc1ccc(CN2C[C@H](C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 71852523 KMCJNVZEJUIWQY-HZPDHXFCSA-N 364.467 0.894 0 40 FCAB Cc1n[nH]c(C)c1CCC(=O)NCCn1c(=O)c(=O)[nH]c2ccccc21 95472803 NZNIYCNIAZPWCA-UHFFFAOYSA-N 355.398 0.779 0 40 FCAB O=C(Cc1cccnc1)N1CCC[C@]2(COCCN(Cc3c[nH]nn3)C2)C1 96076450 QPNJIMVFEJRYQG-LJQANCHMSA-N 370.457 0.883 0 40 FCAB Cn1cnc(S(=O)(=O)N2CCC3(CC2)C[C@@H](N2CCCC2)CO3)c1 96158662 QLWPCGOBIFUPCT-CQSZACIVSA-N 354.476 0.828 0 40 FCAB CNC(=O)COc1ccc(S(=O)(=O)NCc2cc(C)nn2C)cc1C 96193163 UAOFOYGOUZFVGD-UHFFFAOYSA-N 366.443 0.640 0 40 FCAB CC(=O)N1CCN(c2c(NC[C@@H]3CCCN4CCCC[C@H]34)c(=O)c2=O)CC1 100795100 IDODUMPUWJOSFB-JKSUJKDBSA-N 374.485 0.628 0 40 FCAB biogenic CCOC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)cc1 225960277 WQPKNBNWLFGAGZ-UHFFFAOYSA-N 357.432 0.469 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](c2nccnc2-c2cnn(C)c2)C1 257218416 DDBHQRPCJZABKW-LBPRGKRZSA-N 350.448 0.863 0 40 FCAB CCc1nccn1CC(=O)N(C)C[C@@]1(O)CCCN(c2ncccn2)C1 257270223 MTGCYNQDYXMXEI-SFHVURJKSA-N 358.446 0.725 0 40 FCAB Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)CN4CCCC4)C3)nc2n(C)c1=O 257279246 OFSYTZQINVPACL-CYBMUJFWSA-N 371.441 0.044 0 40 FCAB CN1CCN([C@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)CC[C@@H]2O)CC1 257336953 YQTXCLOTBLMRBL-IRXDYDNUSA-N 358.446 0.171 0 40 FCAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](CNC(N)=O)C2)C1 524929004 NTKBGYZXIGVNQC-YNEHKIRRSA-N 360.480 0.432 0 40 FCAB Cc1cn2nc(N[C@H]3CCN(C(=O)c4n[nH]c5c4CCC5)C3)ccc2n1 579744569 IZEVWZIBIOAGDB-LBPRGKRZSA-N 351.414 1.576 0 40 FCAB CN(Cc1ccco1)Cc1cnc2n1CCN(C(=O)c1ncn(C)n1)CC2 1565542138 ULVVZJOSKUOUIL-UHFFFAOYSA-N 369.429 0.935 0 40 FCAB Cn1ccc(CC(=O)N2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)n1 1565546016 QWLSSBUEMOJGKA-UHFFFAOYSA-N 352.460 0.426 0 40 FCAB C[C@@H](Cc1ccccc1)C(=O)NC[C@@]1(c2nccn2C)NC(=O)NC1=O 1616035210 RCOACFJQVHOMLH-SGTLLEGYSA-N 355.398 0.450 0 40 FCAB Cc1cc(N2C[C@H]3CN(c4cc(O)nc(O)n4)C[C@@H]3C2)n2nccc2n1 1888881872 ZBNLRAAHTAZQJM-VXGBXAGGSA-N 353.386 0.812 0 40 FCAB CC[C@@H](CO)NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 3217670 KFSRLHUVIZLJRH-PXTSUWAFSA-N 368.455 0.608 0 40 FCAB N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 4309475 PPSWCAGEPFPFQK-UHFFFAOYSA-N 362.367 0.809 0 40 FCAB CC(C)Cc1nc(S[C@H](C)C(=O)O)c2c(=O)n(C)c(=O)n(C)c2n1 4341222 MBLYYELGPCJDFU-MRVPVSSYSA-N 352.416 0.791 0 40 FCAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)c1 4370741 NGKUCLSHIBNKNR-UHFFFAOYSA-N 369.381 0.832 0 40 FCAB COc1ccc(N2C[C@H](NC(=O)NCCN(C)C)CC2=O)cc1OC 4479798 FSMCRVBUQWBYQF-GFCCVEGCSA-N 350.419 0.670 0 40 FCAB COc1ccc(Cn2c(NC[C@H](C)O)nc3c2c(=O)n(C)c(=O)n3C)cc1 4785930 OUJRLKARUHHXPO-NSHDSACASA-N 373.413 0.283 0 40 FCAB Cc1cc(N2CCN(c3cc(C)nc4ncnn34)CC2)n2ncnc2n1 5725035 PPHBYBASEUOPJM-UHFFFAOYSA-N 350.390 0.505 0 40 FCAB COC(=O)c1ccc(CSc2nc3c(cnn3CCO)c(=O)[nH]2)o1 7418063 IMQZYVRIKGQAGA-UHFFFAOYSA-N 350.356 0.784 0 40 FCAB CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1cccc(Cl)c1 10283443 QAONCITUDDTVJK-UHFFFAOYSA-N 359.835 0.407 0 40 FCAB CCOC(=O)c1ccc(NC(=O)C[C@H]2SC[C@@H](C(=O)O)NC2=O)cc1 13636851 UCYMAOWEWYCWLJ-NWDGAFQWSA-N 366.395 0.877 0 40 FCAB COc1ccc(NC(=O)CCNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 32094662 UOVJYBORWZMRCP-LBPRGKRZSA-N 355.416 0.510 0 40 FCAB CC(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 36389621 AMYJIQPUFARYLE-UHFFFAOYSA-N 368.459 0.040 0 40 FCAB COc1cc(NC(=O)C[C@H]2Cn3ncnc3NC2=O)cc(OC)c1OC 40386598 UPACYFHKTGNJAW-VIFPVBQESA-N 361.358 0.901 0 40 FCAB COC(C)(C)C(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95998314 DOCXQYUKVCBKDL-HNNXBMFYSA-N 363.462 0.485 0 40 FCAB O=C(NC[C@@H]1C[C@H]2C=C[C@@H]1C2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 169680655 LCARHFBRMFETSR-RFQIPJPRSA-N 365.455 0.480 0 40 FCAB Cn1c(CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)cc(=O)n(C)c1=O 180677253 YZUQLAIYHLKIQU-IBGZPJMESA-N 353.378 0.227 0 40 FCAB Cc1n[nH]c(SCCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1 223029716 TXCCCWOTNMMTTM-UHFFFAOYSA-N 369.428 0.629 0 40 FCAB CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C1=O 225380457 IPCYRIZBZFGFIN-CVEARBPZSA-N 358.442 0.240 0 40 FCAB biogenic,in-vitro CNC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(OC)c2)Cc2ccnn21 247971180 UPBXCHVBPLRYIX-AWEZNQCLSA-N 350.400 0.383 0 40 FCAB O=C1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CCN1 248070310 XTULEOJPECGBEB-IFIYUWNVSA-N 369.421 0.900 0 40 FCAB CN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)[C@H]1COc2ccccc2O1 262079915 BJZIVAZDTYLLSG-IUODEOHRSA-N 362.382 0.608 0 40 FCAB NS(=O)(=O)c1cn(CC(F)(F)F)nc1I 408717562 HXOHMUDPABKIRG-UHFFFAOYSA-N 355.079 0.697 0 40 FCAB Cc1cc(=O)c(C(=O)NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)c[nH]1 504280577 QUFBOUSPXVXDOF-STQMWFEESA-N 374.420 0.886 0 40 FCAB O=C(Cc1ccccc1)N1CC[C@](O)(CNCC2CCOCC2)[C@@H](O)C1 585286074 UZVDFFPKECTONE-ICSRJNTNSA-N 362.470 0.570 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N[C@H]1CCc2nc(N(C)C)ncc2C1 606440795 QTZDGPSMUJTSHB-LBPRGKRZSA-N 351.432 0.983 0 40 FCAB N=c1[nH]c2nc(CN3CCO[C@@]4(CCc5ccccc54)C3)cc(=O)n2[nH]1 621270366 ZEFACAMNRJHHHU-SFHVURJKSA-N 352.398 0.504 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(Cc3ccnn3-c3ccncc3)C2)C1 685940980 MRVGDYOVBBGODB-CYBMUJFWSA-N 354.414 0.046 0 40 FCAB Cn1c(N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)cc(=O)n(C)c1=O 685943491 XNLWZIQGQWOZSI-OLZOCXBDSA-N 356.430 0.710 0 40 FCAB Cn1cncc1CN1C[C@H](C(=O)NCc2ccon2)C2(CCOCC2)C1 1565541776 XGHSZBLUNNLDQR-MRXNPFEDSA-N 359.430 0.953 0 40 FCAB C[C@H](O)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 4085258 LZBURFZSWMUWSF-GTEUGTGKSA-N 364.423 0.985 0 40 FCAB biogenic C[C@H](Sc1nc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)O 4960384 GVQZJYHVXXVDTE-ZETCQYMHSA-N 362.367 0.852 0 40 FCAB COc1ccccc1/C=C/C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 6835881 QADNEWDAVXVPTG-YBJDMEARSA-N 353.396 0.555 0 40 FCAB C[C@H](OC(=O)CN1CSCC1=O)C(=O)NC(=O)NC1CCCCC1 7782686 YKRXFAKRJUCPEY-JTQLQIEISA-N 357.432 0.610 0 40 FCAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)N1CCCCC1 8848848 BJPREBCLCPHGCH-UHFFFAOYSA-N 373.388 0.708 0 40 FCAB COc1ccnc2c1c(=O)n(CC(=O)NCc1ccc(F)cc1)c(=O)n2C 9571604 MOVNBSYCMOWTBU-UHFFFAOYSA-N 372.356 0.559 0 40 FCAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)N(CC)CC)c(=O)n2C 9571776 DWPTZSVOQJAHOI-UHFFFAOYSA-N 362.430 0.925 0 40 FCAB NC(=O)COc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 12912792 AKCVRSSAXCKWCN-UHFFFAOYSA-N 360.370 0.450 0 40 FCAB CCn1nnc2c(=O)n(CC(=O)Nc3ccc(OC)cc3OC)cnc21 13531431 GFCPANUPXKTISJ-UHFFFAOYSA-N 358.358 0.664 0 40 FCAB COCCN(CCOC)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 13995575 MYZDWZBXZZNGGW-LLVKDONJSA-N 358.416 0.690 0 40 FCAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O 14198125 ZENGDRGFILMGMH-CYBMUJFWSA-N 368.411 0.753 0 40 FCAB O=C(CN1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1)N1CCCC1 14238986 HMOQGZWEWDMZSR-UHFFFAOYSA-N 369.429 0.043 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCOCC2)cc1 16309313 SYBUJIFFJJNZLS-UHFFFAOYSA-N 369.487 0.454 0 40 FCAB O=C(CCN1CCC2(CC1)OCCO2)N1CCN(c2ccccn2)CC1 26936044 KKDSUOAHHLHZDW-UHFFFAOYSA-N 360.458 0.959 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)n(C)c1 27108810 QMFWVZKTQFKXMM-UHFFFAOYSA-N 365.411 0.934 0 40 FCAB COCCn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc(C)c1C 32893992 XYPQRKPXRNYRLG-GFCCVEGCSA-N 361.489 0.542 0 40 FCAB COc1ccc(N(CC(=O)N2CCN(C)CC2)S(C)(=O)=O)c(OC)c1 33332701 FPOWJWGCDWBSFY-UHFFFAOYSA-N 371.459 0.244 0 40 FCAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1cnn(C)c1)C2 96039757 RARLMBGTZCGAGK-FUHWJXTLSA-N 350.463 0.896 0 40 FCAB CC(=O)N1C[C@H](C(=O)O)CN2CCN(C(=O)c3ccccc3C)C[C@H]2C1 96064152 PQVLVTROGFZRPJ-CVEARBPZSA-N 359.426 0.684 0 40 FCAB CN1CCN(C[C@@H]2CO[C@]3(CCCN(C(=O)c4cnccn4)C3)C2)CC1 96228453 POUIBKNFXSRTBP-VQIMIIECSA-N 359.474 0.735 0 40 FCAB CN(C)Cc1nc(-n2cnc(C(=O)N3CCN(C)CC3)c2)n2ccccc12 96267054 AQQURDISXQEFJP-UHFFFAOYSA-N 367.457 0.969 0 40 FCAB CN1CCN([C@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1 100143497 NKKCMNHDEXYCMR-KRWDZBQOSA-N 370.453 0.688 0 40 FCAB COc1cc([C@@H]2N=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)ccc1O 104279755 PTAABUZLYQYRMB-MRXNPFEDSA-N 371.397 0.927 0 40 FCAB Nc1nc(N)c2c(n1)O[C@@]1(CCN(C(=O)CCCNc3ncccn3)C1)C2 257288537 PUOYRFGMLOWLEB-KRWDZBQOSA-N 370.417 0.229 0 40 FCAB COC[C@@]1(CNC(=O)N2CCn3ncnc3C2)OCCc2ccccc21 566043058 DYIFQXPBROEEAX-GOSISDBHSA-N 357.414 0.918 0 40 FCAB CN1CC2(CN(C(=O)c3cnccn3)C2)OC[C@H]1C(=O)NC1CCCC1 575402687 ANDNTYIXLDZRSH-HNNXBMFYSA-N 359.430 0.061 0 40 FCAB CCCS(=O)(=O)N1CCn2cc(C(=O)N3CCOCC3)nc2[C@@H]1C 585096367 KGTSUEULXPKPGG-LBPRGKRZSA-N 356.448 0.472 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1ccc(COC)cc1 643703968 HKQRBQXHAFQMTG-INIZCTEOSA-N 356.444 0.749 0 40 FCAB O=C(NCC1(C(=O)O)CCOCC1)Nc1ccn(CCc2ccncc2)n1 647697018 KWZVXPFYSHAZRR-UHFFFAOYSA-N 373.413 1.524 0 40 FCAB Cn1ccnc(NC[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)c1=O 681919796 JJZPMNQXBHNBKV-OAHLLOKOSA-N 354.414 0.741 0 40 FCAB COc1ccccc1CNC(=O)C(=O)NCC1(N2CCOCC2)CCC1 1775973428 BLNNQYGVLFHPSR-UHFFFAOYSA-N 361.442 0.683 0 40 FCAB NC(=O)Cn1nnc(-c2ccccc2NC(=O)COc2ccc(F)cc2)n1 1372725 DFLFRTSZLIMERB-UHFFFAOYSA-N 370.344 0.982 0 40 FCAB NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 4272514 XVSSVJPARFIXJQ-UHFFFAOYSA-N 363.439 0.913 0 40 FCAB CCOC(=O)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 6053853 TZBOLCASUHRFSU-UHFFFAOYSA-N 359.338 0.772 0 40 FCAB COc1ccc([C@H]2C/C(=C3\C(=O)NC(=S)N(C)C3=O)NN2)c(OC)c1 9420430 OOLQVLFHDKLVQX-QGDAWOFLSA-N 362.411 0.370 0 40 FCAB Nc1nccnc1C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 11526592 KTOBXIUNRQIWGJ-UHFFFAOYSA-N 354.414 0.892 0 40 FCAB CC(C)CN(C(=O)C1=COCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13005799 UEHGZKZMLYBPHD-UHFFFAOYSA-N 366.418 0.652 0 40 FCAB CCN(CC)C(=O)C1=CC(c2cnn(CC)c2C)=NS(=O)(=O)N1C 19523890 CAJUVJYZROFMQI-UHFFFAOYSA-N 353.448 0.943 0 40 FCAB CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)C)=C2)c1C 19523894 GRCMBBNLGMFWOP-UHFFFAOYSA-N 353.448 0.989 0 40 FCAB O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2nc3ccccc3s2)CC1 19655455 JQLBBYYBVFJCHG-UHFFFAOYSA-N 357.395 0.635 0 40 FCAB CN1CCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1 20624147 UJESUKMCWZGGLC-UHFFFAOYSA-N 372.469 0.429 0 40 FCAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 32895082 KNMXZLNQQDNNRU-UHFFFAOYSA-N 361.379 0.942 0 40 FCAB O=C(CN1CCN(Cn2nc3ccccn3c2=O)CC1)Nc1ccccc1 40040171 HUWBAAPYHMSDOG-UHFFFAOYSA-N 366.425 0.710 0 40 FCAB CCCNC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520702 YDSQGWVFWZBFON-UHFFFAOYSA-N 351.432 0.283 0 40 FCAB CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23 59101986 SOODLZHDDSGRKL-OSARJHGOSA-N 353.415 0.244 0 40 FCAB biogenic CN(C)CC(=O)N1CCCC[C@H]1c1ccc2c(=O)n(C)c(=O)n(C)c2n1 72374611 YVILLMZDOUSCMX-AWEZNQCLSA-N 359.430 0.247 0 40 FCAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(Cc2nccn2C(F)F)CC1 78970558 YERDWELMSNAGJA-NSHDSACASA-N 370.404 0.773 0 40 FCAB Cc1ncsc1CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 91811793 OGVFTRXBENCESK-UHFFFAOYSA-N 359.521 0.061 0 40 FCAB O=C1CO[C@]2(COCCN(S(=O)(=O)C3CC3)C2)CN1c1ccccc1 96051287 UTSISEBLKANDBD-KRWDZBQOSA-N 366.439 0.613 0 40 FCAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCCCN1CCOCC1 101413373 BTZBPMIKDSXBHK-HNNXBMFYSA-N 360.414 0.615 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)CC3Cc4ccccc4C3)C2)CN1C 247964616 GTVTZUOWLZFMAT-QGZVFWFLSA-N 357.454 0.449 0 40 FCAB COCC(=O)N[C@@H]1CN(Cc2ccc(OCCn3cccn3)cc2)C[C@H]1O 257215676 CREPGINMMHOLQC-QZTJIDSGSA-N 374.441 0.270 0 40 FCAB CN1CCN(C[C@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1 257239612 HQCUFABODWPSIW-IBGZPJMESA-N 361.490 0.503 0 40 FCAB Cn1cc(CN2CCC[C@]3(CC2)Cc2c(n(C)c(=O)n(C)c2=O)O3)cn1 643914673 VSTDOPPGKMITEA-SFHVURJKSA-N 359.430 0.177 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccncc2Br)C1 644040676 QMMKYXLNZSFNDE-AWEZNQCLSA-N 356.220 0.947 0 40 FCAB COCCOc1ccc(CNC(=O)CN2CCCC[C@H](O)C2=O)cc1 644308262 PAMFWNBYOHRMLD-INIZCTEOSA-N 350.415 0.701 0 40 FCAB CCN1C(=O)[C@H]2CN(C(=O)c3ccc(OCC(=O)O)cc3)CCN2C1=O 659759937 LKLIHPRHSUKSTF-CYBMUJFWSA-N 361.354 0.259 0 40 FCAB O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)C(=O)N1C[C@@H](O)C[C@@H](O)C1 674476023 NNUCWAKNEVSSGZ-OKILXGFUSA-N 371.397 0.242 0 40 FCAB CN(C(=O)c1cn(C)nc1C(F)F)C1CN(c2ccc3nncn3n2)C1 1565523619 VAAMTWGZGQAPLC-UHFFFAOYSA-N 362.344 0.756 0 40 FCAB O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]2O1 1565549207 NWPGOGPDGHAEDL-ULQDDVLXSA-N 358.442 0.941 0 40 FCAB COCCOCC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156154 KGVOEEYMHOAOBE-SFHVURJKSA-N 366.389 0.823 0 40 FCAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)CCc3ccc[nH]3)CC2)O1 2055795699 FVFXDSVEGUCDGL-OAHLLOKOSA-N 371.441 0.807 0 40 FCAB O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccco1 4278370 YAEFWUUJOIQAMU-UHFFFAOYSA-N 357.322 0.142 0 40 FCAB O=c1nc2sccn2c2ccc(S(=O)(=O)N3CCOCC3)cc12 4708600 MDIUTBDRRUVOAV-UHFFFAOYSA-N 351.409 0.930 0 40 FCAB CN1CCN(C(=O)CN2CCN(C(=S)Nc3ccccc3)CC2)CC1 8991440 LZHCPFNAWXECGN-UHFFFAOYSA-N 361.515 0.775 0 40 FCAB COC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 12874260 PDYPVRKHEWCKFZ-FZKQIMNGSA-N 362.382 0.933 0 40 FCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccc2c(c1)OCCO2 15557490 RAZVZIWRGNICFN-UHFFFAOYSA-N 367.361 0.777 0 40 FCAB Cc1cc(C)cc(OCCN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 16421647 BHQKFQLMLSHRHE-HNNXBMFYSA-N 354.472 0.917 0 40 FCAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(C(=O)C(C)C)CC3)cnc21 24761305 OCGKEUGWKFKWPW-UHFFFAOYSA-N 373.413 0.045 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 27975978 CXOVGKWNJIDUFM-UHFFFAOYSA-N 374.382 0.327 0 40 FCAB CC(=O)c1cccc(S(=O)(=O)NCCc2nc(N)nc(N(C)C)n2)c1 32809785 BPBWQXHWPYZQTA-UHFFFAOYSA-N 364.431 0.243 0 40 FCAB O=CN1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3cc(F)ccc23)CC1 36365976 JIVIOKZXCHMAKO-INIZCTEOSA-N 363.345 0.765 0 40 FCAB CNC(=O)[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@H]12 38793453 VXKQFHVZIXOPJH-LOKDSWTASA-N 353.766 0.643 0 40 FCAB Cc1cc(C)n(CCNC(=O)c2nc(CC(=O)Nc3cc(C)on3)no2)n1 40284899 SFUDKXWLSCHZLD-UHFFFAOYSA-N 373.373 0.791 0 40 FCAB O=C1CCCN1c1ccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 57994960 BVWOPJDKUPFJGE-GFCCVEGCSA-N 372.468 0.526 0 40 FCAB CCn1nnc2cc(C(=O)NCCn3nc4ccccn4c3=O)ccc21 58225556 LGYOSIMGSXJZED-UHFFFAOYSA-N 351.370 0.691 0 40 FCAB O=C(NCCc1nccs1)[C@H]1CCCN(c2ccc3nnnn3n2)C1 95480192 HQWKJVBSMGYDAM-NSHDSACASA-N 358.431 0.551 0 40 FCAB O=S(=O)(C1CN(c2ccc(C(F)(F)F)nn2)C1)N1CCOCC1 95999636 PHGKSUNRGSTYLK-UHFFFAOYSA-N 352.338 0.346 0 40 FCAB O=S(=O)(c1ccccc1)N1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 96108277 UAKKLEORCUGMRI-WBVHZDCISA-N 352.456 0.656 0 40 FCAB Cn1nccc1C(=O)N1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1 96209700 AVMKMZVVIQVTKB-SWLSCSKDSA-N 356.448 0.123 0 40 FCAB CC(=O)N1CCN(c2c(NC[C@H](c3ccco3)N(C)C)c(=O)c2=O)CC1 101442228 QQNVNMKITURKAM-CYBMUJFWSA-N 360.414 0.259 0 40 FCAB Cn1cc(S(=O)(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)cn1 225638798 PVTIAUFJSKUEFI-CYBMUJFWSA-N 364.383 0.419 0 40 FCAB Cc1ccc(S(=O)(=O)[C@]23OC(C)(C)O[C@H]2[C@@H](O)[C@H]2CO[C@H]3O2)cc1 242495387 GDLOUXJFINZTDN-XSEXMBABSA-N 356.396 0.733 0 40 FCAB Cc1ncc(C(=O)N2CCN(CCc3ccccc3)[C@@H](C(N)=O)C2)cn1 257263951 LSEIERUFTNRANI-QGZVFWFLSA-N 353.426 0.639 0 40 FCAB CCS(=O)(=O)NC[C@H]1CN(Cc2c(C)noc2C)Cc2ccnn21 306134017 NBUDHMGSSKFPGJ-AWEZNQCLSA-N 353.448 0.984 0 40 FCAB O=C(NS(=O)(=O)C[C@@H]1CCCOC1)C1CN(C(=O)C2CCCCC2)C1 408499286 UYIDGAYVZJQFLI-CYBMUJFWSA-N 372.487 0.898 0 40 FCAB COC(=O)c1ccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1 575618513 IPQKXNMPKCPITC-UHFFFAOYSA-N 360.366 0.463 0 40 FCAB Cc1snnc1C(=O)N1CCO[C@@H]2C[C@H](COCC(=O)N(C)C)C[C@@H]21 585108305 XNJKSTBXEAMBHZ-FRRDWIJNSA-N 368.459 0.571 0 40 FCAB CN(C)CCOCc1nnn2c1CN(C(=O)c1ccnc(F)c1)CCC2 585110543 UHHOLKMCZXQXBK-UHFFFAOYSA-N 362.409 0.937 0 40 FCAB CS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cnn(CC(F)F)c1 657140239 SZODWZNSIQHQDF-SECBINFHSA-N 357.404 0.346 0 40 FCAB CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnn3ccc(C)nc23)cn1 685940076 KMDPSAFIEAASOU-LSDHHAIUSA-N 356.386 0.830 0 40 FCAB O=C([C@@H]1CCOC1)N1CCOC[C@]2(CC[C@@H](CN3CCOCC3)O2)C1 1565555987 LLTCVYCARSKIIP-RYRKJORJSA-N 354.447 0.132 0 40 FCAB COc1cc2c(cc1C(=O)N(C)Cc1nnc3n1CCOCC3)OCO2 1615551561 XRUGPLPXBHYSBD-UHFFFAOYSA-N 360.370 0.860 0 40 FCAB COc1cc(OC)cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)c1 3447184 CFOPDXFKNFHGLI-UHFFFAOYSA-N 350.371 0.585 0 40 FCAB COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3CCO)c2=O)c1 5271297 QISXFEXNNITLBW-UHFFFAOYSA-N 373.369 0.241 0 40 FCAB COC(=O)Cn1c(=O)c2c3c(sc2n(CCCN(C)C)c1=O)CCC3 6759892 WYHPQPUVYOXMQH-UHFFFAOYSA-N 365.455 0.838 0 40 FCAB O=C(c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)N1CCOCC1 12029281 KOJFNHHQGUSTLY-AWEZNQCLSA-N 373.452 0.120 0 40 FCAB CC(C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 12232248 CTPHHTKKPABCGY-LBPRGKRZSA-N 373.413 0.684 0 40 FCAB Cn1c(SCC(=O)NC2CCCC2)nnc1[C@H]1CCS(=O)(=O)C1 23652266 PKTLTQMLHJTJPX-JTQLQIEISA-N 358.489 0.868 0 40 FCAB CC(=O)c1cccc(OCC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1 36386083 MIRNGSRPCSQARA-UHFFFAOYSA-N 361.442 0.937 0 40 FCAB CCOC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 36666257 YCCPTSBCQANCSZ-GFCCVEGCSA-N 370.427 0.528 0 40 FCAB CCN(C[C@@H]1CCOC1)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 48432156 UUSXQBXIUBPUMW-ZDUSSCGKSA-N 365.455 0.952 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 59119825 AKAGVWKZPNJWKS-LBPRGKRZSA-N 351.432 0.219 0 40 FCAB COc1ccc(NC(=O)C[C@H](CN2CCN(C(C)=O)CC2)C(=O)O)cc1 71280275 YJJBJRHGSSIQLX-CQSZACIVSA-N 363.414 0.889 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NC[C@H](O)c2ccc3c(c2)CCO3)CC1 90744272 KMQYYINIDPOGAJ-HNNXBMFYSA-N 368.455 0.443 0 40 FCAB C[C@H](CNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)N1CCOCC1 95999933 RPFROONJKBOPGN-CQSZACIVSA-N 367.471 0.151 0 40 FCAB CCS(=O)(=O)N1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244201 CFKJZKRUAJPIGI-INIZCTEOSA-N 368.459 0.137 0 40 FCAB Cc1nn(C)c(C)c1CNC(=O)C(=O)N[C@H]1C(=O)N(C)c2ccccc21 101442036 DPOMBIYTSFYUDC-OAHLLOKOSA-N 355.398 0.487 0 40 FCAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)N2N1 101772255 KBRRQZLNWMMCRK-NSHDSACASA-N 357.370 0.712 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2nccnc2-c2nccn2C)CC1 257343649 ZTWOGBVAIQEMJS-UHFFFAOYSA-N 350.448 0.863 0 40 FCAB CCOCC(=O)N1CCn2cc(C(=O)NCc3cnc(C)cn3)nc2[C@@H]1C 585096533 RTIFMZYNDFXXHP-ZDUSSCGKSA-N 372.429 0.851 0 40 FCAB CO[C@]1(CC(=O)NCCn2nc(C)cc2C)COCCN(C(C)=O)C1 585280665 MWRFMUJGYTZHET-KRWDZBQOSA-N 352.435 0.270 0 40 FCAB CC(=O)N1CCOC[C@](O)(CC(=O)NC2(c3ccc(F)cc3)CC2)C1 585280961 QVBPMGZLQWFXJB-KRWDZBQOSA-N 350.390 0.931 0 40 FCAB CC(C)N(CCO)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O 585284348 KAHXNZYNTPZQTH-FUHWJXTLSA-N 370.877 0.981 0 40 FCAB CC(C)CNC(=O)N1CCC[C@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 607294848 ICNLBHCRCWYHIL-KGLIPLIRSA-N 359.492 0.615 0 40 FCAB C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cc2cc[nH]c(=O)c2s1 648813090 PGQYNKMPMXISAB-GXSJLCMTSA-N 369.468 0.989 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccnc(C3CC3)n2)CCO1 681944250 WMOYSHPBCOZNQA-CYBMUJFWSA-N 362.386 0.128 0 40 FCAB Cn1c(C(=O)N2CCn3c(nc(CN4CCCC4)cc3=O)C2)cccc1=O 1565553585 FDHIHKSSQFEUQQ-UHFFFAOYSA-N 369.425 0.194 0 40 FCAB Cn1cc(-c2nnn3c2CO[C@H](CNC(=O)CCc2cncnc2)C3)cn1 1614931855 FZICCHYLQGECOA-CQSZACIVSA-N 368.401 0.116 0 40 FCAB CCCc1noc(CN2C[C@@H](NC(=O)COC)[C@H](c3nccn3C)C2)n1 1615554946 ZOGOLTOKKUZLDQ-CHWSQXEVSA-N 362.434 0.486 0 40 FCAB Cn1cc(CCC(=O)N2CC3(C[C@H](N4CCOCC4)CS3)C2)cn1 2056224209 GTIFIYYXEXCAFR-HNNXBMFYSA-N 350.488 0.771 0 40 FCAB O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 786053 NBNJZLUUIMICJN-UHFFFAOYSA-N 362.367 0.963 0 40 FCAB CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1CCO 1446121 VGQCVEQPKPTYAC-JTQLQIEISA-N 365.394 0.146 0 40 FCAB Cc1ccccc1N1CCCn2c1nc1c2c(=O)n(CC(N)=O)c(=O)n1C 4249420 XDGPFORNOFQNJK-UHFFFAOYSA-N 368.397 0.232 0 40 FCAB NS(=O)(=O)c1cccc(NC(=O)Cn2nnc3ccccc3c2=O)c1 6589897 CIBNBPLKAQMEDJ-UHFFFAOYSA-N 359.367 0.078 0 40 FCAB CCOC(=O)c1c(NC(=O)C(=O)NCCO)sc2c1CC(C)(C)OC2 6662050 ICSNVJNZZUVJOT-UHFFFAOYSA-N 370.427 0.823 0 40 FCAB Cc1ncc2c(n1)[C@@]1(CCCN(S(=O)(=O)N3CCCC3)C1)OCC2 19287421 QQJDSZGBZZTNRO-INIZCTEOSA-N 352.460 0.989 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2ccsc2)cc1 22537842 CRLCUXKXJOMXCR-UHFFFAOYSA-N 354.409 0.869 0 40 FCAB CCn1nc(C)c2c(C(=O)N3CCN(S(C)(=O)=O)CC3)cc(C)nc21 28242966 FDZYDGREPBALTC-UHFFFAOYSA-N 365.459 0.785 0 40 FCAB Cn1c(=O)[nH]c(=O)n2c(CC(=O)Nc3ccc(OC(F)F)cc3)cnc12 28527092 XAGLSCDGWUYJKH-UHFFFAOYSA-N 365.296 0.504 0 40 FCAB CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 30008378 UTLIDHUVRKXEJZ-UHFFFAOYSA-N 351.472 0.618 0 40 FCAB CC(C)C(=O)N1CCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 31543966 ZRAGXTKBBSINDA-GFCCVEGCSA-N 359.430 0.983 0 40 FCAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(O)nn2)cc1 32981960 SZKQXSKKWYPDQB-SNVBAGLBSA-N 366.399 0.748 0 40 FCAB Cc1ncsc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 36398121 NPCUYGPQXVAWAZ-UHFFFAOYSA-N 355.397 0.894 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)NCCc2ccccc2F)CC1 54420971 RJLNMAURSXFAPC-UHFFFAOYSA-N 359.423 0.977 0 40 FCAB O=C(NCCC(=O)N1CCn2c(nnc2C(F)(F)F)C1)c1cnccn1 72404082 HGBGERSZSAFTFS-UHFFFAOYSA-N 369.307 0.249 0 40 FCAB O=C(NCCOc1ccccc1)NCCn1nc(-n2cncn2)ccc1=O 96025213 XTUPYJZQLXXNOS-UHFFFAOYSA-N 369.385 0.202 0 40 FCAB CS(=O)(=O)N1CCOC[C@@]2(CN(Cc3ccc(F)cc3)CCO2)C1 96049874 HNTUZJYJVRURDK-MRXNPFEDSA-N 358.435 0.689 0 40 FCAB Cn1nc(C(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)ccc1=O 225627134 JGLGJVVGAKOSMW-UHFFFAOYSA-N 366.381 0.648 0 40 FCAB O=C(Cn1cncn1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225759313 DLHWIQMFXVFPRE-UHFFFAOYSA-N 354.370 0.145 0 40 FCAB COc1nn(C)cc1C(=O)N1CCN(c2nccn3c(C)nnc23)CC1 225799353 CBMJRAXPSFYQPJ-UHFFFAOYSA-N 356.390 0.137 0 40 FCAB COc1ccccc1OCc1cn(CC(=O)NCCC(=O)N(C)C)nn1 227161471 WSIACDXMTPGJOH-UHFFFAOYSA-N 361.402 0.460 0 40 FCAB COc1cc(N2Cc3cncn3[C@H](COCC(=O)N3CCCC3)C2)ncn1 247878474 IBRKBUUEEGMSPY-HNNXBMFYSA-N 372.429 0.882 0 40 FCAB Cc1nc2ccccn2c1CC(=O)N1CC[C@](O)(CN2CCOCC2)C1 257268011 MJWIYDCEJOVQGW-IBGZPJMESA-N 358.442 0.481 0 40 FCAB CN(C)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)cc1 409301117 ZRRYFYDWDOVLDH-BKEDOTJMSA-N 356.378 0.939 0 40 FCAB Cc1cnn(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 556496974 AFZGFHCFBQICGA-UHFFFAOYSA-N 357.462 0.640 0 40 FCAB C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)C[C@H]1C(=O)O 566007693 NXXXNDCMPZJMOD-FRRDWIJNSA-N 361.464 0.553 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc2c(c1)CCN2C(C)=O 643953047 JEEFLIGDNVOKDJ-IBGZPJMESA-N 359.426 0.963 0 40 FCAB O=C(NC[C@]1(OCCO)CCOC1)C(=O)Nc1ccc(F)c(Cl)c1 658414151 MIUFXLTZEDDWJR-OAHLLOKOSA-N 360.769 0.702 0 40 FCAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)Cc2ccc3c(c2)OCO3)C1 685943141 RYZHBYZDLMCTSP-BFHYXJOUSA-N 358.398 0.757 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3OC[C@@H](C(=O)Nc4cccnc4)C[C@H]3C2)n1 2055729933 FNLNRDQCESGXCD-KCQAQPDRSA-N 370.413 0.716 0 40 FCAB O=C([C@@H]1CN(c2ccc(Br)cn2)CCO1)N1CCOCC1 2086848038 RWZPIBWTSMWDIM-LBPRGKRZSA-N 356.220 0.908 0 40 FCAB Cn1cnc2c(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)ncnc21 2086950827 VZOYAPHMUHWQGK-LLVKDONJSA-N 366.372 0.826 0 40 FCAB COc1ccccc1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 4943417 CMKXHEFBXRLSRL-UHFFFAOYSA-N 357.370 0.471 0 40 FCAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccccc1 9449423 TZXZHHUSQWGISA-DOMZBBRYSA-N 373.434 0.963 0 40 FCAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(=O)n(C)n1 10764821 IEHSSJVVTPOEDP-UHFFFAOYSA-N 371.397 0.840 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)NCc1cccc(Cl)c1)c(=O)n2C 12558877 DNKPYWOAJGKMDT-UHFFFAOYSA-N 361.789 0.404 0 40 FCAB COC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O 12612747 SWXBFJSLFVSIJI-FVMDXXJSSA-N 355.341 0.883 0 40 FCAB Cc1cc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)c(=O)[nH]c1C 12756482 JZBZXGLZPQYYIM-UHFFFAOYSA-N 369.425 0.817 0 40 FCAB O=C(NCc1ccc(F)cc1)C(=O)NCc1n[nH]c(=O)c2ccccc12 17201009 ORZHRMSYVCJKEG-UHFFFAOYSA-N 354.341 0.995 0 40 FCAB Cn1cc2c(n1)[C@H](C(=O)N1CCOCC1)CN(C(=O)c1ccncc1)C2 19696330 MTLFKNWQCZAEPN-OAHLLOKOSA-N 355.398 0.414 0 40 FCAB CCOC(=O)C1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 30548977 IRDQHVVRJXOISQ-INIZCTEOSA-N 372.425 0.908 0 40 FCAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2n[nH]c(=O)n2C)c1 32672302 FPZMUKLMOLGRAK-UHFFFAOYSA-N 371.444 0.090 0 40 FCAB Cc1cc(C)n2nc(CC(=O)NCc3ccc(-n4cncn4)nc3)nc2n1 58055775 KWRDXKFJPLLPFZ-UHFFFAOYSA-N 363.385 0.576 0 40 FCAB CCCCN(C)C(=O)Cn1cccc(S(=O)(=O)N2CCCC2)c1=O 72329906 HATGEIKDEIFOSH-UHFFFAOYSA-N 355.460 0.891 0 40 FCAB Cc1cccc(CN2CCn3c(nn(CC(=O)NC(C)C)c3=O)C2=O)c1 98213153 YXEBONJQHZGMBJ-UHFFFAOYSA-N 357.414 0.534 0 40 FCAB NC(=O)CN1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 100143381 NGVDUZCVTHSTCA-ZDUSSCGKSA-N 350.806 0.075 0 40 FCAB CCc1nccn1CCC(=O)N(C)C[C@]1(O)CCN(c2cnccn2)C1 257263931 LSCMOHMFGGJVEW-GOSISDBHSA-N 358.446 0.725 0 40 FCAB O=C(c1cnccn1)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 306139580 TVGYTRDEZOBWPU-ZDUSSCGKSA-N 374.422 0.580 0 40 FCAB CS(=O)(=O)CC(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 330493965 RRAFGUZRHLJLON-LBPRGKRZSA-N 364.345 0.750 0 40 FCAB O=C(NCc1ccccn1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2CC(O)C2)O1 585108748 UWVRVGNDGLZKCQ-QCOVADJFSA-N 359.426 0.617 0 40 FCAB CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@](COC)(CC(N)=O)C1 585277063 FRTZBWLTHHZCDH-KRWDZBQOSA-N 352.435 0.759 0 40 FCAB O=C(CN1CCO[C@](CO)(Cc2ccccc2F)C1)N1CCOCC1 585279430 ZCPGVQRDZIYSTM-GOSISDBHSA-N 352.406 0.290 0 40 FCAB Cc1nnc(COC2CN(C(=O)[C@H]3COCCN3C3CCCC3)C2)o1 644214355 HUBOAYXYVHKUON-OAHLLOKOSA-N 350.419 0.749 0 40 FCAB COCCOc1ncccc1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 656602079 GGFRPFLENYJDKT-BDJLRTHQSA-N 351.359 0.672 0 40 FCAB CC(C)N(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)O1 1614931083 BKBDQTDRSKGPMC-WMLDXEAASA-N 351.451 0.546 0 40 FCAB Cc1cc(N2CC(=O)N(CCc3ccccc3)C(=O)C2)n2ncnc2n1 2235942 HCLLNKNCTGRTQE-UHFFFAOYSA-N 350.382 0.851 0 40 FCAB CC(=O)[C@@H](C)n1c(=O)c2c(nc3n(C[C@@H]4CCCO4)c(C)cn23)n(C)c1=O 4314265 COMIHJICOIZBSH-YPMHNXCESA-N 373.413 0.787 0 40 FCAB CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COC(C)C 4317893 AMQGLNVFMVHCBH-GFCCVEGCSA-N 367.450 0.811 0 40 FCAB CS(=O)(=O)c1nc(-c2ccccc2F)n(CC(=O)N2CCOCC2)n1 4770812 QTDHGGKNNHYVII-UHFFFAOYSA-N 368.390 0.347 0 40 FCAB OC[C@@H]1O[C@@H](n2cc(Br)c3c(Cl)ncnc32)[C@H](O)[C@@H]1O 4946459 CUKHVEVYOJENQF-TXRROPDSSA-N 364.583 0.459 0 40 FCAB CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 8993180 XKEBOOGSTGQKKM-OLZOCXBDSA-N 371.459 0.989 0 40 FCAB CCOc1ccc(N2CCn3c2nnc(C(=O)NC[C@@H](C)O)c3=O)cc1 12234042 ZXDQYPCILXEEGY-LLVKDONJSA-N 359.386 0.299 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CCC(=O)Nc2cccc(O)c2)CC1 12391454 DKXFQSOXSSDCRI-UHFFFAOYSA-N 355.416 0.215 0 40 FCAB COc1ccc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 16376775 QOMVFKCAXYWMAD-CYBMUJFWSA-N 356.444 0.439 0 40 FCAB Cc1nc(=O)c2nnn(C[C@H]3CCCN3S(=O)(=O)c3ccccc3)c2[nH]1 19286508 PFSMECMWNAZMPI-GFCCVEGCSA-N 374.426 0.676 0 40 FCAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 23178890 JHOYPFNGBMQKRM-UHFFFAOYSA-N 353.854 0.762 0 40 FCAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 33023610 BXQFJMZUHLXNBX-ZDUSSCGKSA-N 374.484 0.634 0 40 FCAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NC[C@@H]1CCCO1 39266254 KAONKMAENHTYTE-BBRMVZONSA-N 357.410 0.933 0 40 FCAB biogenic C[C@H]1CN(S(=O)(=O)CCNc2ncnc3c2cnn3C)C[C@@H](C)O1 42108272 JQAIXYWPEWCPQB-PHIMTYICSA-N 354.436 0.214 0 40 FCAB C[C@@H]1CNCCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 54371533 KQQNYDUEERLWFF-SECBINFHSA-N 352.865 0.726 0 40 FCAB CCS(=O)(=O)N1CCOC[C@]2(CC[C@H](Cn3nc(C)nc3C)O2)C1 96100470 OYTAMDDEBSGNLF-CABCVRRESA-N 358.464 0.495 0 40 FCAB Cc1cc(CNS(=O)(=O)c2c(C)noc2C)nc(N2CCOCC2)n1 224232833 BDTWVXGYIXXOIF-UHFFFAOYSA-N 367.431 0.705 0 40 FCAB O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 244970149 HLTHMYHYLYNXAR-MPXAEWJHSA-N 352.818 0.941 0 40 FCAB O=C(N[C@@H]1CN2CCOC[C@H]2[C@H]1OCc1ccccn1)c1ccccn1 247511332 TXEAVYUVLSVYHM-SQNIBIBYSA-N 354.410 0.875 0 40 FCAB O=C(O)CNC(=O)Cn1nnc(Cc2cccc(Br)c2)n1 562983326 FCEIDKYLDIKYDB-UHFFFAOYSA-N 354.164 0.227 0 40 FCAB Cc1nnc2n1C[C@H](C(=O)N1CCc3c(nc(C(C)C)n3C)C1)N(C)C2 644349380 UVEIZFPJXVIWEL-OAHLLOKOSA-N 357.462 0.842 0 40 FCAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(C(=O)c3ccoc3)CC2)[nH]1 2055713234 JLRREFLAHNONPZ-UHFFFAOYSA-N 368.397 0.902 0 40 FCAB Cc1cc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)n2ncnc2n1 2298049607 AYROGEVRPSJHSU-UHFFFAOYSA-N 355.402 0.828 0 40 FCAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(O)cc2)n1C 4189680 SVTIWPLTSBIYRF-UHFFFAOYSA-N 350.400 0.959 0 40 FCAB CC(=O)N[C@H]1[C@@H](Oc2ccc(Cl)cc2Cl)O[C@@H](CO)[C@@H](O)[C@@H]1O 5126648 UHQRLFPKGHQKEN-MRTXSQPYSA-N 366.197 0.316 0 40 FCAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 5707227 GDDNLCRRKSFBEC-GJZGRUSLSA-N 366.414 0.978 0 40 FCAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 6608781 ZJPHKBKCBBVLDS-XHDPSFHLSA-N 359.448 0.036 0 40 FCAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)NC1=NCCS1 7038874 PHGVEKVMHUYXQN-MRXNPFEDSA-N 360.395 0.435 0 40 FCAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c(F)c1 8508063 IUEDNRGGNSHSQN-GFCCVEGCSA-N 371.390 0.428 0 40 FCAB Cc1csc2nc3n(c(=O)c12)CCN(C(=O)CN1CCCC1=O)CC3 12253317 FMRMYBALDAVEHB-UHFFFAOYSA-N 360.439 0.774 0 40 FCAB C[C@@H](C(=O)N1CCN(C=O)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13648732 PZJXAVUVXNBWCL-LBPRGKRZSA-N 357.407 0.281 0 40 FCAB O=C(Nc1ccccc1C(=O)NCc1ccncc1)C(=O)N1CCOCC1 13732583 SJDMZMKBQLYAKL-UHFFFAOYSA-N 368.393 0.809 0 40 FCAB CN1C(=O)COc2ccc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc21 19460071 ICOOSGMZIXRQRI-SFHVURJKSA-N 372.381 0.701 0 40 FCAB CC[C@H]1C(=O)NCCN1C(=O)COc1ccc(-n2nc(C)cc2C)nn1 19718870 RWXMSSZEUJPNOU-ZDUSSCGKSA-N 358.402 0.395 0 40 FCAB Cn1c(=O)n(C)c2nc(Cl)c(CC(=O)c3ccc(F)cc3)n2c1=O 28527404 SZTSEIZFEHSSDU-UHFFFAOYSA-N 350.737 0.950 0 40 FCAB CN(CC(=O)N1CCCC1)C[C@@H](O)COCc1ccc2c(c1)OCO2 40013666 XOBCQMOIVHJTRC-OAHLLOKOSA-N 350.415 0.847 0 40 FCAB C[C@H]1CN(CCNC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)C[C@@H](C)O1 40153480 YQYOXMDKNQJNMT-TXEJJXNPSA-N 371.459 0.559 0 40 FCAB Cn1cc(-c2nc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)cs2)cn1 44903488 XGEWHSONEDTJNI-UHFFFAOYSA-N 374.470 0.580 0 40 FCAB CC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3nccn3C)[C@@H]2CO)cc1 72321476 IKBLYIIMZCKRGC-CRAIPNDOSA-N 358.398 0.840 0 40 FCAB biogenic,in-vitro COCC(=O)N1CCC2(CC1)CN(S(C)(=O)=O)Cc1ccccc1O2 72394357 ZUFYEUDIHZAOGK-UHFFFAOYSA-N 368.455 0.848 0 40 FCAB O=C(NCc1n[nH]c(=O)[nH]1)C(=O)Nc1ccc(Br)cc1Cl 95461186 CIVURIMNJVYRBP-UHFFFAOYSA-N 374.582 0.769 0 40 FCAB COC(=O)C[C@H](c1ccc(OCC(N)=O)c(OC)c1)c1c(O)n[nH]c1C 95473909 BAWQBOUYRNKNEL-LLVKDONJSA-N 363.370 0.991 0 40 FCAB CC(C)(CNC(=O)CN1CCC(C(F)(F)F)CC1)NS(C)(=O)=O 95993646 MXDMFEBTPGWIPX-UHFFFAOYSA-N 359.414 0.705 0 40 FCAB Cc1nc(OCC(=O)NCc2nccc(N(C)C)n2)cc(-n2cccn2)n1 96121040 HWXFBSQLGLYFED-UHFFFAOYSA-N 368.401 0.522 0 40 FCAB COc1ccc(N2CCC[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C2)nn1 96223187 YZSPDOPMXKVTKT-NWDGAFQWSA-N 354.432 0.005 0 40 FCAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)O 98031697 AFRGIWICJULDKF-GHMZBOCLSA-N 358.391 0.816 0 40 FCAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]12 101017032 CKMMLRGATFLGEK-YPMHNXCESA-N 360.326 0.859 0 40 FCAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(-n2cnnn2)c1 102874089 FYLNDCCULVDCCD-KBPBESRZSA-N 354.370 0.776 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2cncc(-c3nccn3C)n2)CC1 257255129 KGEXOYZATZQVOY-UHFFFAOYSA-N 350.448 0.863 0 40 FCAB CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cn(C)cn3)C2)ncn1 257272166 NBHKTCUJZAIOFP-KRWDZBQOSA-N 359.434 0.355 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1cncc(OC(C)C)c1 625260002 PSVFMBHEIXOKFP-INIZCTEOSA-N 371.459 0.785 0 40 FCAB O=C1CCC(=O)N1CCOCCNS(=O)(=O)CCc1ccccc1 828250452 KDGQSUGXCFSGFU-UHFFFAOYSA-N 354.428 0.314 0 40 FCAB CCN1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)C[C@]12CCOC2 1615588532 CVGOJRISNDPTKI-SFHVURJKSA-N 356.430 0.663 0 40 FCAB COC(=O)N[C@@H]1CSC[C@@H]1OC(=O)CN1C(=O)c2ccccc2C1=O 1427465 LQFFEUFPCVWAOA-NEPJUHHUSA-N 364.379 0.666 0 40 FCAB CC(=O)N[C@@H]1[C@@H](Oc2ccc(Cl)cc2Cl)O[C@@H](CO)[C@@H](O)[C@@H]1O 5126651 UHQRLFPKGHQKEN-QNSTZXKLSA-N 366.197 0.316 0 40 FCAB O=C(O)[C@H]1O[C@@H](Oc2nc(Cl)c(Cl)cc2Cl)[C@H](O)[C@@H](O)[C@@H]1O 6091168 XIPKXSPRDJUGPJ-DEGUGSHBSA-N 374.560 0.313 0 40 FCAB in-vitro O=C1COc2ccc(C(=O)COC(=O)CNC(=O)c3ccco3)cc2N1 6101811 GDCSYPHDGAUULJ-UHFFFAOYSA-N 358.306 0.766 0 40 FCAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 7962355 BINYAHZKMOBJPX-OAHLLOKOSA-N 350.440 0.973 0 40 FCAB CC(=O)N1CCc2cc(S(=O)(=O)NCCn3ncccc3=O)ccc21 11856400 AINLZVVCRNHPAQ-UHFFFAOYSA-N 362.411 0.131 0 40 FCAB CCOC(=O)C1CCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC1 21325649 IDRUHTHUDJQDSS-UHFFFAOYSA-N 359.382 0.492 0 40 FCAB CN1CCN(CC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)CC1 22585588 FHWLMJSDUIZYAC-KRWDZBQOSA-N 360.458 0.781 0 40 FCAB O=C(Cn1ncc2ccccc2c1=O)N1CCN(c2ncccn2)CC1 40059805 GGMBKFMDRJCXEU-UHFFFAOYSA-N 350.382 0.535 0 40 FCAB CC(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)CN2CCSC2=O)C1 51466548 OFNAZIVGGCDVGX-LBPRGKRZSA-N 363.505 0.722 0 40 FCAB C[C@H]1CN(CCNS(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@@H](C)O1 58277610 HNKBQRRTBWRUJQ-BETUJISGSA-N 366.447 0.050 0 40 FCAB CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)CCCS(C)(=O)=O 72313969 XLOUZDVVMZSTAH-NSHDSACASA-N 355.478 0.557 0 40 FCAB Cc1nnc(N2CCOC[C@]3(CCCN(S(=O)(=O)C4CC4)C3)C2)o1 96049707 FLXNRHRHZULBCP-OAHLLOKOSA-N 356.448 0.789 0 40 FCAB COCCN1CC[C@]2(CN(S(C)(=O)=O)C[C@H]2c2ccccc2)C1=O 96201889 FPVHJAAEBVBCLG-DOTOQJQBSA-N 352.456 0.911 0 40 FCAB CC(=O)[C@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@]41Br)C21OCCO1 101405263 FCTNJUJIKYLXCW-RBIXIWIVSA-N 369.211 0.947 0 40 FCAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](O)Cn1ccccc1=O 206888675 SVTHNKKQHGBERP-CQSZACIVSA-N 364.423 0.189 0 40 FCAB CC(=O)N1CCN(C(=O)Cn2cc(COc3cccc(C)c3)nn2)CC1 227160269 LILSLWUZPKIJFW-UHFFFAOYSA-N 357.414 0.856 0 40 FCAB CS(=O)(=O)N1CCC[C@@]12CCN(C(=O)c1cccc(F)c1)C[C@@H]2O 257248574 JEGXTQZBXWQCSL-HOCLYGCPSA-N 356.419 0.827 0 40 FCAB CC(=O)N1CCN(C[C@@]2(O)CCN(C(=O)/C=C/c3ccccc3)C2)CC1 257270256 MTIWRIOMISHRBO-DUIUGDAFSA-N 357.454 0.827 0 40 FCAB CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)c1cnc(C2CC2)nc1 257314139 UVMIUPQYSPQKKF-GOSISDBHSA-N 354.414 0.857 0 40 FCAB COC(=O)c1ccc2c(c1)CN(Cc1cc(=O)n3[nH]c(=N)[nH]c3n1)CC2 598599200 HJFFSEMDNMRAGX-UHFFFAOYSA-N 354.370 0.175 0 40 FCAB Cn1c(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)cccc1=O 1565549599 VIPJFGWXJWDVPF-ROUUACIJSA-N 368.437 0.896 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cnn(C)c5)C[C@@H]4C3)nn12 1888904091 NOVILQCOENZQQX-KBPBESRZSA-N 366.429 0.629 0 40 FCAB CC(=O)N1CCNCC=CCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)C1 2037963998 ORJUNKXKFOSBCF-KZNAEPCWSA-N 358.479 0.164 0 40 FCAB O=C(O)c1ccc(S(=O)(=O)N2CCOCCOCCOCC2)cc1 2446552 LWSHYGFBOUZOIL-UHFFFAOYSA-N 359.400 0.439 0 40 FCAB COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(N)=O)c2cc1OC 4176549 AWAJAMFCDWYNFH-UHFFFAOYSA-N 369.377 0.714 0 40 FCAB Cn1nc(C(=O)N2CCN(c3ncccn3)CC2)c2ccccc2c1=O 6648500 UOKDUFAYWQECSN-UHFFFAOYSA-N 350.382 0.686 0 40 FCAB COc1cccc(NC(=O)[C@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)c1 6755780 BWYGRIACSNEDTH-LLVKDONJSA-N 362.411 0.645 0 40 FCAB Cc1ccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)NC3CC3)[C@H](O)[C@@H]2O)cc1 8624424 WAWDUTIKQVSFFS-HDEZJCGLSA-N 363.414 0.274 0 40 FCAB biogenic,in-vitro Cn1cc(C(=O)N2CCOCC2)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 9821552 JDPDSXKXTSNCCR-UHFFFAOYSA-N 368.393 0.549 0 40 FCAB O=C([C@@H]1CCOC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 13267461 RBTLZLFMLPATPL-CQSZACIVSA-N 357.410 0.787 0 40 FCAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Nc2ncccc21 19346616 ZPDHMZNNJONSPE-GOSISDBHSA-N 357.414 0.568 0 40 FCAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccn1 36367006 LQTQAFBOIPHPDD-AAEUAGOBSA-N 354.432 0.531 0 40 FCAB CN1CCN(C(=O)c2ccc(CNC(=O)c3nccnc3N)cc2)CC1 40111504 FWXBFPNDLOYCLQ-UHFFFAOYSA-N 354.414 0.376 0 40 FCAB CS(=O)(=O)N1CCC(CNC(=O)C(=O)NCCc2ccccc2)CC1 43941632 QLHFXLJGQWZUGY-UHFFFAOYSA-N 367.471 0.133 0 40 FCAB COCCN(CCOC)C(=O)Cn1nc(-c2ccco2)cc(N)c1=O 57743904 YMCHCNNVDQIEHA-UHFFFAOYSA-N 350.375 0.207 0 40 FCAB CCC(=O)N[C@@H]1CCCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1 58313816 GFAKZBRZTXYRNP-CYBMUJFWSA-N 372.425 0.597 0 40 FCAB COC(=O)CCNC(=O)Cn1nc(-c2ccc(F)cc2OC)ccc1=O 79486878 QHFRDDBUZWAGBQ-UHFFFAOYSA-N 363.345 0.737 0 40 FCAB O=C(NCC(F)(F)F)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96105234 VMYKHMVYLRPQJX-UHFFFAOYSA-N 355.324 0.952 0 40 FCAB Cc1nc(C(=O)N2CC[C@@]3(C[C@H](NS(C)(=O)=O)CCO3)C2)cs1 96107914 YQKFONIVKLYAOO-BXUZGUMPSA-N 359.473 0.764 0 40 FCAB CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2N1C(C)=O 96182758 VECRBOJDTCSXGF-UTUOFQBUSA-N 357.457 0.104 0 40 FCAB CC(C)N(C)Cc1cc(=O)n2c(n1)CN(C(=O)c1cnccn1)CCC2 96197560 VYZZXGKQJFCNCY-UHFFFAOYSA-N 356.430 0.920 0 40 FCAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1ccccc1 96375478 YZAZKNWUUGIWNZ-YIONKMFJSA-N 350.440 0.983 0 40 FCAB Cn1cc([C@H]2CN(S(=O)(=O)c3cccc(C(N)=O)c3)CCO2)cn1 97012820 OMTYFCPOBUSFST-CQSZACIVSA-N 350.400 0.281 0 40 FCAB CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1O 204956804 XBIBUXBARDPHCJ-LLVKDONJSA-N 355.460 0.982 0 40 FCAB in-vitro CN(C)Cc1cncc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 257207334 BHHBTHFDWOOZAB-AWEZNQCLSA-N 350.448 0.798 0 40 FCAB Cc1noc(COC2CN(C(=O)[C@@H]3COCCN3C3CCCC3)C2)n1 644210947 WXDPFSVXINBLGV-HNNXBMFYSA-N 350.419 0.749 0 40 FCAB NC(=O)c1cnn2c(C(=O)N3CCC[C@](O)(C(F)(F)F)CC3)ccnc12 1117259533 UXWIDKBWJXRLKG-CQSZACIVSA-N 371.319 0.748 0 40 FCAB CC(C)(C(N)=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2cscn2)C1 1290156099 OGCOBIFSCYPLLD-NWDGAFQWSA-N 366.487 0.988 0 40 FCAB CN1CCN(c2ncc3c(n2)[C@H]2CC[C@H]3N(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)CC1 1565548121 SCYQAXGSAFAZFB-WSOGKROESA-N 369.469 0.882 0 40 FCAB Cn1c(C(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)cccc1=O 1565555748 GSBLEIVSPXCEKO-UHFFFAOYSA-N 372.425 0.805 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 1565556067 WBDFWPGWLJATAF-KGLIPLIRSA-N 364.471 0.610 0 40 FCAB O=C(CC1(O)CCC1)N1CCOC[C@]2(C1)CN(CC1CC1)C(=O)CO2 1614932410 KXDVLTRVWGCESN-SFHVURJKSA-N 352.431 0.158 0 40 FCAB CN(C)CCN1CCCN(C(=O)CNC(=O)c2ccc(F)cc2F)CC1 1616022320 NXHMLXUMJRNJHN-UHFFFAOYSA-N 368.428 0.791 0 40 FCAB Cn1ccc(C(=O)N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)n1 1888899229 NTDUNUQAJRZBRV-VXGBXAGGSA-N 352.402 0.305 0 40 FCAB COC[C@@H]1CC2(CCN(C(=O)c3cc[nH]c3)CC2)CN1S(C)(=O)=O 2055835619 VLYYUZPSHMZNHK-AWEZNQCLSA-N 355.460 0.917 0 40 FCAB Cn1nc(-c2cccnc2)nc1[C@H]1CC[C@@H](O)[C@H](NS(C)(=O)=O)C1 2332241643 RHJHUXPTVXKYPH-CYZMBNFOSA-N 351.432 0.423 0 40 FCAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCCN1c1ccc(F)cc1 5251895 ZFLHYOGBRBYURO-UHFFFAOYSA-N 373.344 0.662 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCCO)c(Cl)c1 6049715 VTMHVQJUAHEGJU-UHFFFAOYSA-N 364.851 0.904 0 40 FCAB Cc1sc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1 6679835 CECYNFWRYDGAQI-LBPRGKRZSA-N 374.484 0.986 0 40 FCAB O=C(CSc1nnnn1C1CC1)N1CCN(C(=O)c2ccco2)CC1 8324617 YEZCSVCTBYRSKQ-UHFFFAOYSA-N 362.415 0.678 0 40 FCAB O=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)N1CCCC1 8624294 UOAZEGUTZOVOFL-CIRFHOKZSA-N 352.406 0.417 0 40 FCAB biogenic,in-vitro C[C@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1 13127358 YKZMPORMYFZWML-RSPDNQDQSA-N 369.425 0.940 0 40 FCAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3nc[nH]c23)CC1 13551689 OKUYIPGVVSORLV-UHFFFAOYSA-N 350.404 0.746 0 40 FCAB COCCNC(=O)c1ccccc1NC(=O)C(=O)NCc1cn(C)nc1C 13654732 FWQPZTSJMHUMNK-UHFFFAOYSA-N 373.413 0.360 0 40 FCAB CC(=O)N1CCN(C(=O)Cn2cnc(-c3ccc(C)cc3)cc2=O)CC1 13806973 ZWJGPCNFZQGLAL-UHFFFAOYSA-N 354.410 0.909 0 40 FCAB C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)Cc1ccc2c(c1)OCO2 14094131 IAQACBXBBWIAOC-JTQLQIEISA-N 374.397 0.098 0 40 FCAB COc1ccccc1NC(=O)Cc1noc(CN2CCN(C(C)=O)CC2)n1 14251602 FBCKAIGPMKCYBA-UHFFFAOYSA-N 373.413 0.924 0 40 FCAB COC(=O)[C@@H]1Cc2ncn(C)c2CN1S(=O)(=O)c1ccc(F)cc1 15676546 GHQFSSYUKZIUKP-ZDUSSCGKSA-N 353.375 0.848 0 40 FCAB biogenic,in-vitro CCCNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 22795729 MXHDCTZVHFNEOZ-MRXNPFEDSA-N 350.438 0.757 0 40 FCAB O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccon1 23106743 LUFJCAJNUNOPMN-LLVKDONJSA-N 350.400 0.864 0 40 FCAB O=C(NCCc1cccs1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23483574 YTUPXORKFIQXCQ-NSHDSACASA-N 369.468 0.572 0 40 FCAB O=C(CN1CCc2ccccc2C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 35355221 GKOOGGRXJAMOCV-CQSZACIVSA-N 351.428 0.058 0 40 FCAB CC(=O)c1c[nH]c(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 36408793 QHLBEFICFWNYOM-UHFFFAOYSA-N 359.386 0.910 0 40 FCAB COC(=O)c1ccc(CNS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 48286510 MNAMQTDCLPUATL-UHFFFAOYSA-N 373.394 0.927 0 40 FCAB O=C(CNC(=O)C1(c2ccc(F)cc2)CC1)N[C@H]1CCS(=O)(=O)C1 52997423 IDNIIIDFTHYBRE-ZDUSSCGKSA-N 354.403 0.277 0 40 FCAB O=C(CNC(=O)N1CCN(c2ccccn2)CC1)NCc1ccncc1 72405061 RJTFCSKAHGGQMP-UHFFFAOYSA-N 354.414 0.625 0 40 FCAB Cc1ccccc1OCCCN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 89696773 WZLWHWSHFNQGCQ-DLBZAZTESA-N 368.499 0.539 0 40 FCAB CC(C)NC(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 96156747 UOFTYOPRIRKKHV-CQSZACIVSA-N 373.461 0.838 0 40 FCAB CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCn2ncnc21 97013340 VHIDLQPXPYQIMI-SNVBAGLBSA-N 356.429 0.495 0 40 FCAB CSc1nnc(NS(=O)(=O)c2nnc(NC(C)=O)s2)s1 222662864 FHLOMUAWLYLODV-UHFFFAOYSA-N 352.448 0.871 0 40 FCAB CN(C)S(=O)(=O)N1CC2(C[C@@H](CCOc3cnccn3)CCO2)C1 247982606 XWBBMTFWBOYSNG-ZDUSSCGKSA-N 356.448 0.533 0 40 FCAB O=C(CCn1cnnn1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257232834 GMPZZYQHXBPLHG-GOSISDBHSA-N 356.430 0.085 0 40 FCAB CCCn1cc(CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cn1 257305658 SQXQVJDWNUNSMB-HOTGVXAUSA-N 356.492 0.654 0 40 FCAB Cc1c(C)[n+]([O-])c([C@H](C(C)C)C2C(=O)NC(=O)NC2=O)n1CCN(C)C 524732905 YXDZEDNCBGJUEV-GFCCVEGCSA-N 365.434 0.022 0 40 FCAB O=C(O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1cc(Cl)ccc1F 566013384 OHLXCEJFGWEYKP-LLVKDONJSA-N 366.798 0.543 0 40 FCAB COc1ccc(CC(=O)NCc2nc(N(C)C)nc(N(C)C)n2)cc1OC 575605862 GBEAAXBFJDGMHX-UHFFFAOYSA-N 374.445 0.880 0 40 FCAB Cc1ccccc1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N(C)C 585108136 WYOUQPLNZFOSGI-BZUAXINKSA-N 364.467 0.959 0 40 FCAB NS(=O)(=O)c1ccc(NCC(=O)N[C@@H]2CCc3c[nH]nc3C2)c(F)c1 1636298341 LOOOJHZFKYSXAL-SNVBAGLBSA-N 367.406 0.282 0 40 FCAB CNC(=O)CCc1cncc([C@@H]2CN(c3ncnc4[nH]cnc34)CCO2)n1 2037844339 TVUKAXOYVHXZOI-ZDUSSCGKSA-N 368.401 0.399 0 40 FCAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)[C@H]2CCOC2)C1 2055772787 DXFOVUBAJNDZNV-YLFCFFPRSA-N 359.426 0.740 0 40 FCAB O=P(O)(O)c1ccccc1NCCNc1ccccc1P(=O)(O)O 2289552 QXZWWMKSDTTYGA-UHFFFAOYSA-N 372.254 0.817 0 40 FCAB CC[C@@H](C)N(C(=O)COC(=O)c1nccnc1N)[C@@H]1CCS(=O)(=O)C1 5231185 KJPYLAVGBNYOSE-GHMZBOCLSA-N 370.431 0.030 0 40 FCAB CNC(=O)[C@@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)c2ccccc2O1 7255467 YCUZCAFYNYTFTL-NSHDSACASA-N 374.319 0.388 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1NC(C)=O 7667650 UNNKVZZGIHRZSG-SNVBAGLBSA-N 362.429 0.119 0 40 FCAB COCCNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)c(Cl)c1 9191340 RADVBFNQYSMFAZ-UHFFFAOYSA-N 362.835 0.922 0 40 FCAB Cc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1C 10283414 VAABSFNIVYVSJI-UHFFFAOYSA-N 353.444 0.370 0 40 FCAB CC(C)C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(N)=O 12401312 AILDYALPAQTQDW-AWEZNQCLSA-N 353.444 0.992 0 40 FCAB O=S1(=O)C[C@H](NCc2ccccn2)[C@@H](S(=O)(=O)c2cccs2)C1 13371130 OWMNQDSOIQVNHE-STQMWFEESA-N 372.493 0.872 0 40 FCAB CCc1ccccc1N(CC(=O)N1CCN(C=O)CC1)S(C)(=O)=O 13674967 KBQCJPDAXACAJW-UHFFFAOYSA-N 353.444 0.316 0 40 FCAB Nc1nc(N)nc(COC(=O)CCn2c(=O)oc3cc(Cl)ccc32)n1 19161993 ZPMCIGPBJHMANU-UHFFFAOYSA-N 364.749 0.731 0 40 FCAB CNc1nc([C@H]2CCCN(C(=O)CNC(C)=O)C2)nc2c1CN(C)CC2 19711480 SAMXKGXAQJCHBC-ZDUSSCGKSA-N 360.462 0.348 0 40 FCAB COc1cc2ncn(CC(=O)NCC(=O)NC(C)C)c(=O)c2cc1OC 20763273 DXUXCOHHKCYGEZ-UHFFFAOYSA-N 362.386 0.055 0 40 FCAB biogenic COc1ccc(NC(=O)CN2CCOCC2)cc1S(=O)(=O)N(C)C 23653378 MOGGIZPKKWXIRO-UHFFFAOYSA-N 357.432 0.216 0 40 FCAB O[C@@H](CN1CCN(Cc2nnc3n2CCCCC3)CC1)Cn1cccn1 40153509 UAYIVURBULOBIH-INIZCTEOSA-N 359.478 0.380 0 40 FCAB Cc1nc(C)c(CC(=O)NCCS(=O)(=O)Cc2ccccc2)c(=O)[nH]1 48236785 DKQQWJKERNOCBX-UHFFFAOYSA-N 363.439 0.660 0 40 FCAB COC(=O)C1CCN(C(=O)Cn2ncc3c2C[C@H](C(=O)OC)CC3)CC1 83884563 HEPWUSJEPUZPSU-CYBMUJFWSA-N 363.414 0.573 0 40 FCAB Cn1ccc(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)n1 95940487 NFYVADMHLYUBDC-ZDUSSCGKSA-N 368.484 0.994 0 40 FCAB Cn1cccc1C(=O)NCc1cnc2n1CCN(S(=O)(=O)C1CC1)C2 96061970 DYPKSCLJUFZDFQ-UHFFFAOYSA-N 363.443 0.459 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1cocn1)CC2 247837943 JTDHPSYFXPVJRW-LBPRGKRZSA-N 357.432 0.435 0 40 FCAB CCc1nccn1CC(=O)N1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257214992 COFAFSNSXDYEAX-NSHDSACASA-N 351.432 0.588 0 40 FCAB Cc1cc(C)n(CCCC(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)n1 257321396 WBMKLIDPUMKVFN-SFHVURJKSA-N 358.446 0.828 0 40 FCAB CO[C@@H]1CCN(Cc2c(C)cnn2C)C[C@H]1CC(=O)N1CCOCC1 585279529 ZIRVXJQFHAUQIL-NVXWUHKLSA-N 350.463 0.814 0 40 FCAB Cc1cc(NC(=O)CN2CCN(C(=O)[C@H](C(=O)O)C(C)(C)C)CC2)no1 663112750 PSIWQKAICDFSQV-CQSZACIVSA-N 366.418 0.813 0 40 FCAB Cn1cccc(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCCC3)C2)c1=O 1565544658 PSYHVYLRPNTOKJ-NUEKZKHPSA-N 359.426 0.485 0 40 FCAB O=C(NCc1cccnc1)C1=NO[C@@H]2CN(C(=O)c3csnn3)C[C@H]12 1565551970 MMZCTVXSDJMKCZ-CMPLNLGQSA-N 358.383 0.076 0 40 FCAB CS(=O)(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1 1775964029 OPHLJLJOQZZPGA-LBPRGKRZSA-N 350.400 0.983 0 40 FCAB biogenic,in-vitro CCNC(=O)N1C[C@H]2CN(c3ncnc4c3ncn4CCOC)C[C@@H]2C1 1888882056 KNQCYRNHKWFRIA-CHWSQXEVSA-N 359.434 0.570 0 40 FCAB O=C([C@@H]1CN(c2ncnc3[nH]cnc23)CCO1)N1CCC(F)(F)CC1 2086860585 ZRBQUZTVYMKFFM-JTQLQIEISA-N 352.345 0.816 0 40 FCAB CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C 2405868 FDUVXRJKCCWTCT-ZDUSSCGKSA-N 362.308 0.100 0 40 FCAB COc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 4495860 PWGGLSDTFYJKIA-GFCCVEGCSA-N 355.350 0.461 0 40 FCAB Cn1c(=O)c2cc(C(=O)NCCCN3CCCC3=O)sc2n(C)c1=O 12422786 ARJOEMVVWHXNFX-UHFFFAOYSA-N 364.427 0.041 0 40 FCAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)C2CC2)CC1 14135580 JZJMTSAHTMJPGV-UHFFFAOYSA-N 350.440 0.931 0 40 FCAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CSc2nnnn2C)n1 14245931 MHLAWFZTCFGOOW-UHFFFAOYSA-N 359.419 0.842 0 40 FCAB CC(=O)c1cccc(OC[C@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 23674415 NYCQVIHPICYEHC-CYBMUJFWSA-N 372.381 0.076 0 40 FCAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NCc1cccnc1 31818488 VHGNBQZFOMWYFB-OAHLLOKOSA-N 352.394 0.867 0 40 FCAB CCn1c(N2CCN(c3ncccn3)CC2)nc2c(C)nn(C)c2c1=O 32652006 QFDBZDXDBONRNG-UHFFFAOYSA-N 354.418 0.575 0 40 FCAB COC(=O)C1CCN(C(=O)CSc2nc(C)c(CC(N)=O)s2)CC1 40025070 KPGMVGKXYRSAHX-UHFFFAOYSA-N 371.484 0.983 0 40 FCAB O=C(NCCNc1ncccn1)c1nc(N2CCOCC2)ncc1Cl 48303397 BGZJBSUJQAOPLD-UHFFFAOYSA-N 363.809 0.599 0 40 FCAB CNC(=O)C1CCC(NC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)CC1 51300268 YQKHFKHEZQJEIO-OWYJLGKBSA-N 350.463 0.991 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)COC)cc1 70655698 HOGNDNVJDAXEFA-MRXNPFEDSA-N 358.460 0.844 0 40 FCAB CCCCNC(=O)[C@H]1C[C@H](c2cn(CC)nc2C)NS(=O)(=O)N1C 72335022 KIUKFGHKNBBYAF-ZIAGYGMSSA-N 357.480 0.707 0 40 FCAB COCCN1CCCn2c(nc(CNC(=O)c3cccn3C)cc2=O)C1 96197654 RFVVHUAXAAPCLD-UHFFFAOYSA-N 359.430 0.364 0 40 FCAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]12 101017036 CKMMLRGATFLGEK-WCQYABFASA-N 360.326 0.859 0 40 FCAB Cc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccs1)CC2 171456105 FQOBRRVHRVCPSX-ONGXEEELSA-N 369.472 0.446 0 40 FCAB NC(=O)COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 223298807 WLMQBZWCSYAOKS-UHFFFAOYSA-N 364.379 0.758 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)Cc3ccccn3)C2)CN1CC1CC1 247982749 YCTIJFSFMWQLOT-INIZCTEOSA-N 358.442 0.062 0 40 FCAB Cc1cc(C)n(CC(=O)N2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 257294747 QVNTUPLMCFIWID-GFCCVEGCSA-N 351.432 0.643 0 40 FCAB CCNC(=O)NC[C@@H]1CC[C@@]2(COCCN(Cc3cnn(CC)c3)C2)O1 306137007 QIVHSWUIAWLHIF-FUHWJXTLSA-N 365.478 0.972 0 40 FCAB OCCCOc1ccc(CN2CC[C@@](O)(CN3CCOCC3)C2)cc1 585269905 POODPDITBOSCTL-LJQANCHMSA-N 350.459 0.717 0 40 FCAB CN1CCC[C@H](NC(=O)CNS(C)(=O)=O)[C@@H]1Cc1cccc(F)c1 585280208 CJPZGOUKLZEDBK-GJZGRUSLSA-N 357.451 0.496 0 40 FCAB Cc1cn([C@@H]2CN(C(=O)/C=C/c3cnc[nH]3)CC[C@@]2(C)O)c(=O)nc1O 585290430 CGNVEZGAGKRRRP-CFUPXEQDSA-N 359.386 0.218 0 40 FCAB CNC(=O)[C@H]1CCCN(C(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)C1 1617144926 UJFMXGRJWZJHFD-LBPRGKRZSA-N 358.402 0.171 0 40 FCAB Cc1cc(C(=O)N2CCN3CC(=O)Nc4ccccc4OC[C@H]3C2)n(C)n1 1772594667 HPSLBGOWAAKOON-CQSZACIVSA-N 369.425 0.886 0 40 FCAB Cn1ccnc1C(=O)N1CCO[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984664 JCHBNEWARVAJLI-LJQANCHMSA-N 370.409 0.695 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@@H](C(=O)NCC2CC2)C2(CCOCC2)C1 2055796107 WRZAOKOHMLSRAG-AWEZNQCLSA-N 372.487 0.203 0 40 FCAB CSc1nnnn1-c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1 1441020 KXDFRLRUDDNCSP-UHFFFAOYSA-N 363.399 0.400 0 40 FCAB Cn1c(=O)c(C(=S)NC(=O)C2CC2)c(N)n(Cc2ccccc2)c1=O 2622181 YTSHLWWOTXTPTK-UHFFFAOYSA-N 358.423 0.379 0 40 FCAB COCCN(C(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 4392146 SFHXNRRAXUPLIL-CYBMUJFWSA-N 357.428 0.980 0 40 FCAB C[C@H]1CN(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)C[C@H](C)O1 4493269 QMOVCJXCKRPNKH-RYUDHWBXSA-N 359.382 0.645 0 40 FCAB O=C(NC1CCCCC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 8298860 BRVWAFDZANYSSS-OLMNPRSZSA-N 361.490 0.972 0 40 FCAB biogenic,in-vitro Cc1nnc(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)s1 9829362 ZWCDYIGRFUKQGG-UHFFFAOYSA-N 351.417 0.925 0 40 FCAB Cn1nc(-c2cc(Br)cs2)nc2c(=O)n(C)c(=O)nc1-2 13855765 ZKCYIJNFXZDWHC-UHFFFAOYSA-N 354.189 0.865 0 40 FCAB Cc1c(S(=O)(=O)N[C@@H](C)CCN2CCOCC2)cnn1C(F)F 19553092 HFODECZWZAWLPN-JTQLQIEISA-N 352.407 0.976 0 40 FCAB CC(C)CNC(=O)CN1CCN(CC(=O)NCc2ccccc2F)CC1 22849743 SXKLYNUVQHIGPG-UHFFFAOYSA-N 364.465 0.832 0 40 FCAB Cc1ccc(C)c(OC[C@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 23674349 GZZNIPGZIDOBQL-CQSZACIVSA-N 372.425 0.799 0 40 FCAB CCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)NC)cn2C)CC1 23750997 MTBVGDICHVKCAV-UHFFFAOYSA-N 372.447 0.284 0 40 FCAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(N2CCOCC2)nc1 26157611 RVJRPMFGBADJJY-UHFFFAOYSA-N 364.402 0.699 0 40 FCAB Cn1c(CN[C@@H](CN2CCOCC2)c2ccccc2)cc(=O)n(C)c1=O 32865650 CFTWPDFZVIVPHB-KRWDZBQOSA-N 358.442 0.247 0 40 FCAB O=C(NCCc1ccco1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 40160178 AXBXBIGXHKTPAJ-NSHDSACASA-N 353.400 0.104 0 40 FCAB CN(C(=O)CN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 57388131 MEPLJGYIUJIVJI-INIZCTEOSA-N 351.472 0.454 0 40 FCAB CC(C)CNC(=O)[C@@H](C)OC(=O)CNc1ccc(S(N)(=O)=O)cc1 58313011 LVWUFEJKBHNJIH-LLVKDONJSA-N 357.432 0.450 0 40 FCAB Nc1nsc(N2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)n1 84372523 VHTWCFXXUBWMLD-UHFFFAOYSA-N 357.436 0.911 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(C(=O)NC[C@H](O)COCC2CC2)cc1 84620698 RUJBNTQZQKHBJF-HNNXBMFYSA-N 370.471 0.891 0 40 FCAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)cc1 96231592 JDSUAGCFUJAQGZ-HNNXBMFYSA-N 361.398 0.407 0 40 FCAB Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 97012971 NNZPTXLCVSBALK-NSHDSACASA-N 363.399 0.731 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cnc(-c3cnn(C)c3)cn2)C1 257271814 MZWVPDNXVSRMKX-ZDUSSCGKSA-N 364.475 0.938 0 40 FCAB CN(C(=O)c1ccc2c(c1)CCC2)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257285628 PIAREWWUJASDHD-ZHALLVOQSA-N 357.454 0.571 0 40 FCAB Cc1cn([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@H]2O)c(O)nc1=O 257300091 RSVZXSWNXAPBHT-KKOKHZNYSA-N 355.391 0.207 0 40 FCAB CN(C)CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3cccs3)C[C@H]1C2 306127964 GMELAXYYKPSLJB-ZIAGYGMSSA-N 374.514 0.935 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(Cc3cccnc3OC)C[C@@H]21 306140290 UPABOSOATSDCAJ-GXTWGEPZSA-N 357.414 0.448 0 40 FCAB Cn1cnn(CC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)c1=O 548677108 ARGAYJAISZGAJN-RYUDHWBXSA-N 353.423 0.372 0 40 FCAB COc1cc(N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)ccc1F 558826049 ZLJLIBMCXODOFZ-LBPRGKRZSA-N 356.419 0.918 0 40 FCAB COc1cccc(/C=C(/C(=O)N2CCO[C@@H](C(=O)O)C2)n2nnnc2C)c1 583650524 BHLBMMKWLYFYPF-KQGZCTBQSA-N 373.369 0.300 0 40 FCAB Cn1cc(Br)c(CNC(=O)CN2CCCC[C@@H](O)C2=O)n1 644493858 CYKDKNMJXDKMSR-LLVKDONJSA-N 359.224 0.172 0 40 FCAB Cn1ccc(CC(=O)N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)n1 1142067628 CGPPBHUSGZSQAS-SFHVURJKSA-N 354.414 0.798 0 40 FCAB CN(C)C(=O)COCc1cncc2c1CCN(C(=O)c1csnn1)C2 1565552324 QOUZNGMLULMTKH-UHFFFAOYSA-N 361.427 0.736 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5nc[nH]n5)C[C@H]4C3)nn12 1888914293 KLAGYNYBHGNERY-GHMZBOCLSA-N 353.390 0.013 0 40 FCAB CCN=c1nc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)cc[nH]1 1889139054 FHMUFTRIYPHVMR-UHFFFAOYSA-N 353.434 0.711 0 40 FCAB O=C(NCc1ccon1)[C@H]1C[C@]2(CO1)CN(Cc1ccncc1)CCO2 2056226687 XSGRYGPYDBPKLI-SJLPKXTDSA-N 358.398 0.746 0 40 FCAB CC(C)NC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243231 UAVGCWJPDARFHT-LBPRGKRZSA-N 360.411 0.008 0 40 FCAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)O)CC1 2112131 LMWQLJBNBSEMDH-JTQLQIEISA-N 357.407 0.339 0 40 FCAB biogenic NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 3315545 PQZYOFIEYXZLFP-UHFFFAOYSA-N 362.791 0.003 0 40 FCAB CC[C@@H](CO)NC(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4479780 KRSQNXRPSBAALO-RYUDHWBXSA-N 351.403 0.879 0 40 FCAB CNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 4554148 NLEQEMAGODWFRB-AWEZNQCLSA-N 367.471 0.791 0 40 FCAB C[C@@H](C(=O)Nc1ccccc1C(N)=O)N1C(=O)c2ccccc2S1(=O)=O 4940845 KKPBVMYXYXMMHF-JTQLQIEISA-N 373.390 0.957 0 40 FCAB Cn1c(=O)c2c(nc(SCC(=O)Nc3nccs3)n2C)n(C)c1=O 6445027 TVBPUKKHJVATSE-UHFFFAOYSA-N 366.428 0.158 0 40 FCAB CCOC(=O)c1c(C)oc2ncn(CC(=O)NC[C@H]3CCCO3)c(=O)c12 7553010 XCSIXBHIDRWFEQ-LLVKDONJSA-N 363.370 0.770 0 40 FCAB CCN(C(=O)[C@H](C)Sc1nc(N)cc(N)n1)[C@H]1CCS(=O)(=O)C1 11391880 HRVGIXFDLJARNH-IUCAKERBSA-N 359.477 0.157 0 40 FCAB CCN1CCN(S(=O)(=O)CCNC(=O)Cc2ccc(OC)cc2)CC1 12422844 IVYSXBORKJMSGA-UHFFFAOYSA-N 369.487 0.321 0 40 FCAB CONC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 12927577 PTFPWAKXWIJUGR-UHFFFAOYSA-N 369.399 0.447 0 40 FCAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(C(=O)C2CC2)CC1 14141855 AISLGCUDLQICLM-GOSISDBHSA-N 357.454 0.857 0 40 FCAB O=C(CN1C(=O)Cc2ccccc2C1=O)N1CCN(C(=O)C2CC2)CC1 14183884 KBIREXLUIGJLOZ-UHFFFAOYSA-N 355.394 0.292 0 40 FCAB Cc1cc(NCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1-n1cnnn1 23057937 ORSALNAQHWURCQ-ZDUSSCGKSA-N 364.431 0.028 0 40 FCAB COCC(=O)Nn1ccc2c(cnc3nc(-c4ccccc4)nn32)c1=O 36125530 KDCNRTFTPIORET-UHFFFAOYSA-N 350.338 0.823 0 40 FCAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ncnn2C)cc(F)c1F 79075366 MIAKUMXZJVOUFF-UHFFFAOYSA-N 360.342 0.701 0 40 FCAB Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)CN3CCOCC3)CC2=O)cc1 89633401 SCKQFGNNQNBYQF-RDJZCZTQSA-N 361.442 0.157 0 40 FCAB COc1ccc(C(=O)N2CCN(C(=O)N(C)C)C[C@]3(CNC(=O)C3)C2)cc1 96143332 RCYQFLKUWXPYEV-LJQANCHMSA-N 374.441 0.641 0 40 FCAB CN([C@@H](C(=O)N1CCC(C(N)=O)CC1)c1ccccc1)S(C)(=O)=O 223449843 QJCPSVGNTWSELO-CQSZACIVSA-N 353.444 0.343 0 40 FCAB C[C@H]1Oc2ccc(S(=O)(=O)NCCC(=O)N3CCCC3)cc2NC1=O 227168521 MFBSDSAQQVNKTH-LLVKDONJSA-N 367.427 0.697 0 40 FCAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C)CC2)cc1C 408616558 AGSJJYOAHZSRKX-CQSZACIVSA-N 369.487 0.835 0 40 FCAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C3OCCO3)C=C[C@H]2O1 409306777 PWNGGEZRFVENDJ-QGDIXAPHSA-N 371.345 0.659 0 40 FCAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCc1cc(C(N)=O)co1)CC2 548333764 XNJPIEXYVGAOFL-ZIAGYGMSSA-N 351.403 0.840 0 40 FCAB O=C(NC1CC1)c1nnc2n1CCN1CCN(C(=O)C3(F)CCC3)C[C@H]21 585109970 XUFFZFZJNLQKKH-GFCCVEGCSA-N 362.409 0.261 0 40 FCAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2cnsn2)CC1 585148710 CRCBNHUDNXNDMJ-UHFFFAOYSA-N 374.469 0.897 0 40 FCAB O=C(c1cnc2ccccc2c1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 585287889 GRHWXCLIYMEPIQ-KURKYZTESA-N 357.410 0.113 0 40 FCAB O=C(c1ccc2ccccc2c1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 585287962 JXTUIMCMCKALHC-QRVBRYPASA-N 356.422 0.718 0 40 FCAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)c3ncn(C)n3)C2)CC1=O 1565553678 HSXARDGSINXLJR-QGZVFWFLSA-N 358.402 0.685 0 40 FCAB CN([C@H]1CCCN(c2ncnc3c2ncn3C)C1)S(=O)(=O)C1CC1 1888856882 UPEOXDOOXYLQGU-NSHDSACASA-N 350.448 0.756 0 40 FCAB Cc1nc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)nc(O)c1F 1888901029 KQNODXQLMUPDFK-QWRGUYRKSA-N 370.392 0.879 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccccn2)CC1 2951968 QHKVYICWRSGXGT-UHFFFAOYSA-N 365.393 0.434 0 40 FCAB O=C(COC(=O)c1cccnc1Cl)NCCN1C(=O)CSC1=O 3282435 VUWBBKMMCXFPKS-UHFFFAOYSA-N 357.775 0.703 0 40 FCAB COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(C)=O 4965022 CISXKMRCRZGCHR-UHFFFAOYSA-N 372.399 0.218 0 40 FCAB OC[C@@H]1O[C@@H](n2cc(Br)c3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O 6505206 JPAXVONCMNIIEJ-TXRROPDSSA-N 362.205 0.468 0 40 FCAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 8751311 BRPFPXQPHKTJOL-RKDXNWHRSA-N 361.445 0.342 0 40 FCAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(C(=O)C4CC4)CC3)ccc21 8855681 HDEQQUJPTGCRFR-UHFFFAOYSA-N 370.409 0.404 0 40 FCAB O=C1COc2ccc(C(=O)COC(=O)CN3CCSC3=O)cc2N1 9390099 XFXUSDZZDZPXQX-UHFFFAOYSA-N 350.352 0.912 0 40 FCAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC1 12978628 LTHRDNAUMHQUOP-UHFFFAOYSA-N 357.863 0.879 0 40 FCAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)N[C@@H]1CCS(=O)(=O)C1 19576177 QSPNBOAWVUUDLJ-QGYZOODHSA-N 362.407 0.377 0 40 FCAB CCN(CC)S(=O)(=O)N1CCc2nc([C@@H]3CCCN3)nc(NC)c2C1 19711586 AUSFURWRHFPTBE-AWEZNQCLSA-N 368.507 0.888 0 40 FCAB Cc1ccccc1CNC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 23249088 DBDJFLNYMCASGN-UHFFFAOYSA-N 374.485 0.088 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)OCCOc1ccccc1)c(=O)n2C 24655205 NGAOJXCGNIYPKC-UHFFFAOYSA-N 358.354 0.056 0 40 FCAB COC(=O)[C@H](C)N(C(=O)COc1ccccc1)[C@@H]1CCS(=O)(=O)C1 32641319 BVQXMKSBOGNGQM-QWHCGFSZSA-N 355.412 0.643 0 40 FCAB Nc1nccnc1C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 47553378 GQIDYGOHIWVSMH-UHFFFAOYSA-N 372.404 0.667 0 40 FCAB C[C@H](C(=O)NC(N)=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 58201187 UUGHHPJHYYXDDR-HZPDHXFCSA-N 374.489 0.499 0 40 FCAB CNC(=O)c1ccc(/C=C/C(=O)NCCn2nc3ccccn3c2=O)cc1 58225898 ODGDRDRQYRIBMT-JXMROGBWSA-N 365.393 0.685 0 40 FCAB COc1ccc2cnn(CC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)c2c1OC 61719696 LHMRLTPDKHCOKI-CQSZACIVSA-N 363.370 0.639 0 40 FCAB CC(C)CCC(=O)NCC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 67159184 GUIYJTWOBBAUFI-IBGZPJMESA-N 374.441 0.910 0 40 FCAB CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(C)(=O)=O 67870723 REKUEHZQZFHBLM-XYJFISCASA-N 366.531 0.816 0 40 FCAB biogenic,in-vitro Cc1nc(-c2ccc(OC[C@H](O)CN3CCNC(=O)C3(C)C)cc2)no1 72405421 OLTUNTAYVZUZTC-CQSZACIVSA-N 360.414 0.995 0 40 FCAB Cn1cc(S(=O)(=O)N2CCCN(C(=O)Cc3ccsc3)CC2)cn1 225597926 PPIBQSCKGPFODW-UHFFFAOYSA-N 368.484 0.947 0 40 FCAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)c1ncnn1C 274261620 YLULLUGHFXDUAW-ZYHUDNBSSA-N 350.400 0.617 0 40 FCAB COCCCNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704620 QOTFBUIJPBUPCK-LBPRGKRZSA-N 372.443 0.765 0 40 FCAB Cn1ccc(CC(=O)N2C[C@H]3C[C@H](CNC(=O)c4cccn4C)O[C@H]3C2)n1 585108427 KFPFSMSQPRVDLT-UNEWFSDZSA-N 371.441 0.347 0 40 FCAB NC(=O)c1cc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)nn1-c1ccccc1 677047796 KZQYDQDLCMYGQI-LLVKDONJSA-N 366.385 0.504 0 40 FCAB CO[C@H]1C[C@@H](CN(C)C)N(c2cc(N3CC(n4cccn4)C3)ncn2)C1 685942796 QMITVRKBCPBFDQ-HOCLYGCPSA-N 357.462 0.890 0 40 FCAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NC(=O)Nc3cccnc3)[C@H]3CO[C@@H]2O3)n1 952844658 FIUVBPQZEMVOEB-DGXTUMSLSA-N 359.386 0.742 0 40 FCAB biogenic,in-vitro NCCCCCNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 1775937645 LPILBSGWFJLZPU-CYBMUJFWSA-N 358.398 0.629 0 40 FCAB Cc1cc(N2CCN(c3nccn(C)c3=O)CC2)nc(N2CCOCC2)n1 1889082658 AMAGFFHBJDPUQM-UHFFFAOYSA-N 371.445 0.042 0 40 FCAB Cn1cc(C(=O)N2CC(Oc3ccnc(C(N)=O)c3)C2)c(C(F)F)n1 1889138859 JVPWAZKBKWPIBR-UHFFFAOYSA-N 351.313 0.755 0 40 FCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1ccccc1 2332242043 XUIZVFRPBBVLRK-BZSNNMDCSA-N 358.442 0.113 0 40 FCAB COC(=O)[C@@H]1CN(C(=O)NC(C)C)CCN1S(=O)(=O)c1ccccc1 4260766 HEDFHMHPCOOASJ-AWEZNQCLSA-N 369.443 0.653 0 40 FCAB biogenic,in-vitro Cc1ccc(C(=O)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)cc1 4460533 ZXFPNUSVNGMMMZ-RBSFLKMASA-N 360.366 0.659 0 40 FCAB COc1ccc(NC(=O)Cn2cnc3c(cnn3CCO)c2=O)c(OC)c1 4940505 NMIUKYHSZOBJTM-UHFFFAOYSA-N 373.369 0.241 0 40 FCAB CCOC(=O)[C@H](N)CS[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 5598301 VMPLTHDIFQEJFQ-NEPJUHHUSA-N 366.395 0.640 0 40 FCAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCNC2=O)C1=O 6609481 HODSTSIZRYZEQV-OAHLLOKOSA-N 352.297 0.284 0 40 FCAB Cn1nc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 7124246 YIIIXMJFLASNBW-UHFFFAOYSA-N 372.406 0.762 0 40 FCAB CCCn1c(N)c(C(=O)COC(=O)Cc2cccs2)c(=O)n(C)c1=O 8525807 WPOXBJCXHGUCSN-UHFFFAOYSA-N 365.411 0.569 0 40 FCAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCC(C)CC2)n1 9037134 SEPOKLAIQISJRX-UHFFFAOYSA-N 358.402 0.769 0 40 FCAB COc1cccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)c1 9908804 RLMAZOINNXJTTF-UHFFFAOYSA-N 354.160 0.946 0 40 FCAB O=C1NC(=O)C2(CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)N1 12760340 JIEAGBXGAUQMPI-UHFFFAOYSA-N 355.280 0.322 0 40 FCAB COCCN1C(=O)C(=O)N(CC(=O)NCc2cccc(Cl)c2)C1=O 12812456 YYGHKUICMXVZSV-UHFFFAOYSA-N 353.762 0.393 0 40 FCAB C[C@@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)N(C)Cc1ccccc1 12813859 IGEDJKMJFFYAKN-CYBMUJFWSA-N 361.398 0.909 0 40 FCAB CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCCC[C@@H]2C(N)=O)c1 13071316 QHDMTRWGBGFNRF-CYBMUJFWSA-N 370.500 0.974 0 40 FCAB CCCn1c(N)c(C(=O)CN2CCC[C@H](C(F)(F)F)C2)c(=O)[nH]c1=O 14093266 KIAYHDQTOMCKAX-VIFPVBQESA-N 362.352 0.986 0 40 FCAB COC[C@@H](C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16685327 VDZSREIBCKNJFB-IAQYHMDHSA-N 358.398 0.782 0 40 FCAB COCCN1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1 22932582 WHQROPOTUFWQHX-UHFFFAOYSA-N 371.503 0.580 0 40 FCAB CCOC(=O)N1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 29489515 PSBVJHMOEQWOLW-UHFFFAOYSA-N 354.407 0.398 0 40 FCAB CN1CCc2nc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)sc2C1 32997962 XEOIXHBRKZRKBJ-UHFFFAOYSA-N 363.443 0.934 0 40 FCAB CCN1CCC2(CC1)NC(=O)c1ccc(C(=O)OC)cc1-n1nnnc12 35615819 HSGPPAUAJKCJRV-UHFFFAOYSA-N 356.386 0.503 0 40 FCAB COc1ccc2[nH]c(CN3CCN(S(=O)(=O)N(C)C)CC3)nc2c1 44213653 RPICNIPTEQHPTC-UHFFFAOYSA-N 353.448 0.496 0 40 FCAB COc1ccccc1N1CCN(Cc2cc(=O)c(OCC(N)=O)co2)CC1 56949796 UATZPARPTZLUNQ-UHFFFAOYSA-N 373.409 0.835 0 40 FCAB COCCNC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O 67316988 AWQVQYJQXYXIBB-UHFFFAOYSA-N 351.432 0.606 0 40 FCAB O=S(=O)(C1CC1)N1CCC[C@@]2(COCCN(c3nncs3)C2)C1 96229269 AMJDJIJLGAMOKH-AWEZNQCLSA-N 358.489 0.949 0 40 FCAB Cc1nc2ccccn2c1C(=O)NCCn1c(=O)[nH]c2ncccc2c1=O 225795323 JCDJIJBLXNCIIY-UHFFFAOYSA-N 364.365 0.471 0 40 FCAB CO[C@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@H]1CC=CC(=O)O1 253389611 STNNWPKHRBGYMO-MDLVIJNISA-N 356.371 0.674 0 40 FCAB biogenic,in-vitro CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccncc3F)[C@@H](O)[C@H]2O1 604381517 HCNBEDDWFUIGMA-UUWMRLDISA-N 367.421 0.512 0 40 FCAB biogenic,in-vitro CO[C@@H]1CN(C(=O)CCn2cnnn2)C[C@]12C[C@@H](c1ccccc1)CO2 643587860 ODFGKFKMPBUNEB-JFIYKMOQSA-N 357.414 0.863 0 40 FCAB O=C(O)[C@@H](CNC(=O)[C@H]1COCCO1)Oc1ccc(Br)cc1 649255189 NJBITGGRESUKQF-VXGBXAGGSA-N 374.187 0.813 0 40 FCAB Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)Cc2cnnn2C)s1 668021808 QWYCRONCGLLEJP-JTQLQIEISA-N 352.445 0.663 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)COc3cc(C)cc(C)c3)C2)C1 685942530 OKFVPSOWMZSDRU-CQSZACIVSA-N 359.426 0.488 0 40 FCAB COC1(CC(=O)N2CC3(C2)CN(S(C)(=O)=O)c2nccnc23)CCC1 1565555653 FLMYLGCTDROSLD-UHFFFAOYSA-N 366.443 0.295 0 40 FCAB O=C(Cc1ccc(F)cn1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 1614927986 IWEWTOPIXJCGSQ-CYBMUJFWSA-N 355.377 0.910 0 40 FCAB Cn1cncc1C(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@H]2C1 1888899214 MELLPDAYYRLJEP-RYUDHWBXSA-N 352.402 0.305 0 40 FCAB Cn1nccc1CN1CCC[C@@]2(CCCN(C(=O)Cn3cnnn3)C2)C1 2056224819 XHRSCDOHJPQLGJ-QGZVFWFLSA-N 358.450 0.311 0 40 FCAB C[C@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCO)C1 4930445 QPYNXNKRWNDZLH-STQMWFEESA-N 363.462 0.294 0 40 FCAB O=C(O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Br)cc1 8329208 RQUOJYKFYLJFIX-WCBMZHEXSA-N 350.190 0.658 0 40 FCAB CN1C[C@@H](C(=O)N2CCCOCC2)[C@@]2(CCc3ccccc3C(=O)N2)C1 19587069 GHGWXXDCKNWDOW-FXAWDEMLSA-N 357.454 0.912 0 40 FCAB Cc1ccc(OCCN2CCOCC2)c(NC(=O)C2=NNC(=O)CC2)c1 19661878 IAKVRFBOHWGFDW-UHFFFAOYSA-N 360.414 0.911 0 40 FCAB O=C(Cc1noc(C(=O)NCC(=O)N2CCCC2)n1)Nc1ccccc1 32104547 WHKPVXZMEZAVGS-UHFFFAOYSA-N 357.370 0.603 0 40 FCAB CC(C)[C@H]1NC(=O)N(CC(=O)N(C)C[C@H]2COc3ccccc3O2)C1=O 40067368 ARSKHUDUTDRNML-BLLLJJGKSA-N 361.398 0.861 0 40 FCAB CCOC(=O)N1CCN(C(=O)C2CCC(Cn3cnnn3)CC2)CC1 40267057 SHLOSXFZCPCWRI-UHFFFAOYSA-N 350.423 0.780 0 40 FCAB C[C@@H](C(=O)O)N1CC[C@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 72342644 BIEUAGHTOHYQOQ-ZUZCIYMTSA-N 353.400 0.572 0 40 FCAB C[C@@H]1CN([C@H](C)CNC(=O)CS[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 106057246 KRLRGGCFNMFHDG-SYQHCUMBSA-N 364.533 0.521 0 40 FCAB Cc1nc(N(C)C)nc(C)c1NC(=O)C1CCN(S(C)(=O)=O)CC1 224294461 CKAZEXUHYSBHEC-UHFFFAOYSA-N 355.464 0.770 0 40 FCAB O=C(c1ccccn1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224330356 YGIDFVNVFVZPPH-UHFFFAOYSA-N 354.414 0.671 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)c2ccsc2)Cc2ccnn2C1 247491368 BPMFTRZBNXOOQZ-LLVKDONJSA-N 354.457 0.766 0 40 FCAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccoc3)CC2)cn1C 253473357 UIVATXGFNFBCRT-UHFFFAOYSA-N 352.416 0.858 0 40 FCAB CCc1cc(C(=O)N2CCOC[C@@H]2c2[nH]ncc2S(C)(=O)=O)on1 257261833 LIYLXIQWBZUYMM-SNVBAGLBSA-N 354.388 0.577 0 40 FCAB CN(C)CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 306138967 SLYHQMJZOCCKOW-CABCVRRESA-N 374.514 0.935 0 40 FCAB CN(C)C(=O)c1cccc(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1 639955281 ZLECBAQDEPJBRR-KDURUIRLSA-N 372.425 0.312 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cc(C)ccc2F)CCO1 681943630 ZEFBBIWKPVACDB-ZDUSSCGKSA-N 352.362 0.908 0 40 FCAB Cn1ncc2c(N3CCCN(c4ccc5nncn5n4)CC3)ncnc21 1565520783 OWCSRCKDNVARJC-UHFFFAOYSA-N 350.390 0.518 0 40 FCAB CN1C(=O)CC[C@H]1c1nc(CNS(=O)(=O)c2ccc(F)cc2)no1 1775963905 JFEPAUJSYDNJIN-NSHDSACASA-N 354.363 0.981 0 40 FCAB biogenic,in-vitro Cn1cnc2c(N3C[C@@H]4CN(C(=O)NC[C@@H]5CCCO5)C[C@H]4C3)ncnc21 1888890215 KLBLNHSFJMQTMD-MCIONIFRSA-N 371.445 0.620 0 40 FCAB CN(C)S(=O)(=O)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 2055718050 YEFYNHSWJJRFQR-JKIFEVAISA-N 362.455 0.450 0 40 FCAB COc1cnc(C(=O)N2C[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)nc1 2056225252 MWPXDZCOGPXIBD-HOTGVXAUSA-N 355.398 0.606 0 40 FCAB CCn1ncc(NC(=O)CCn2cc(Br)cn2)c1C(N)=O 2780478 FAPIIFXLMHVWAY-UHFFFAOYSA-N 355.196 0.990 0 40 FCAB COc1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 6054408 ZUPBDPAEAKUMGX-LVDDQXARSA-N 353.396 0.555 0 40 FCAB COc1cccc(CN2CCN(C(=O)[C@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)O)CC2)c1 6699788 BGWXNYCWNDJRBT-OWSLCNJRSA-N 372.421 0.994 0 40 FCAB CN(C(=O)COC(=O)c1[nH]nc2ccccc12)[C@H]1CCS(=O)(=O)C1 8684895 SLFCKHXJKDRNJC-JTQLQIEISA-N 351.384 0.365 0 40 FCAB Cc1ccc(C(=O)NCCN(C)C)cc1S(=O)(=O)N1CCOCC1 10111654 WJVFQJPUHGFFLD-UHFFFAOYSA-N 355.460 0.307 0 40 FCAB CS(=O)(=O)c1cncnc1[C@@H]1CCCN(C(=O)N2CCOCC2)C1 12128266 GFYBYQSYNKSPOQ-GFCCVEGCSA-N 354.432 0.512 0 40 FCAB O=C([C@H]1CCOC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 13267463 RBTLZLFMLPATPL-AWEZNQCLSA-N 357.410 0.787 0 40 FCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccc(OC)cc1 13535646 SGMFRXDIRHVRFL-LSDHHAIUSA-N 361.398 0.734 0 40 FCAB CC1CCN(S(=O)(=O)N2CCCN(CC(=O)NC(C)C)CC2)CC1 32825781 VHUFRHXPRXYEMJ-UHFFFAOYSA-N 360.524 0.495 0 40 FCAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\N(C)C)c(=O)n12 35982213 KOXJDQGEUOJWPD-GAPIQMIFSA-N 373.434 0.330 0 40 FCAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)OC)c1 40040331 XVZPDYGXMOXWCV-LBPRGKRZSA-N 361.441 0.671 0 40 FCAB O=C(COc1coc(CN2CCSCC2)cc1=O)N1CCNC1=O 40267610 QPXVDPJUMYKETJ-UHFFFAOYSA-N 353.400 0.119 0 40 FCAB O=C(CN1C(=O)CCC1=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 44001930 BSKOONPRGKDOMY-ONEGZZNKSA-N 373.409 0.797 0 40 FCAB COc1cccc(CC(=O)N2CCC(NS(=O)(=O)N(C)C)CC2)c1 58290943 WKSWYFNKUIFLAB-UHFFFAOYSA-N 355.460 0.625 0 40 FCAB CCN1CCO[C@@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 81400284 AKOMDIYWIVKMJC-LJQANCHMSA-N 361.486 0.980 0 40 FCAB COC(=O)N[C@H](CC(C)C)C(=O)N1CCC(O)(CN2CCOCC2)CC1 95983428 DBFQHRPMDMHBFM-OAHLLOKOSA-N 371.478 0.443 0 40 FCAB CNC(=O)NC(=O)CN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95999731 CLRYVQWRQSFNBC-MRXNPFEDSA-N 373.457 0.255 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1C(N)=O 244986064 JDTSNHPYXUCREV-WKPIXPDZSA-N 370.427 0.409 0 40 FCAB Cn1cccc1C(=O)NCC[C@@H]1CN(S(C)(=O)=O)Cc2ccnn21 248148720 SQHSZBNPKNRYKT-GFCCVEGCSA-N 351.432 0.358 0 40 FCAB O=C(NC[C@@H](N1CCNCC1)C(F)(F)F)c1ccc2c(c1)CCNCC2 261695891 BEMKLPWQIVRQIZ-MRXNPFEDSA-N 370.419 0.941 0 40 FCAB O=C1NC(=S)N/C1=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408852280 ROHATRZMQSHJSZ-ZROIWOOFSA-N 370.434 0.845 0 40 FCAB COc1cccc(NC(=O)N[C@H]2CO[C@@H](CN3CCN(C)CC3)[C@@H]2O)c1 514288348 AHHUKXMGDRJLSX-YESZJQIVSA-N 364.446 0.192 0 40 FCAB biogenic,in-vitro CNC(=O)c1ccc(N2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)nn1 547680606 JWMALDIIBNJOLV-MRXNPFEDSA-N 360.443 0.843 0 40 FCAB C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)n1nc2c(cc1=O)CCC2 575606101 DHZQELLNQQKOSR-ZDUSSCGKSA-N 354.414 0.432 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2cn(C)c(=O)c3ccccc23)C1 644035364 NVMBHAMPFGHZPR-LJQANCHMSA-N 357.410 0.642 0 40 FCAB COc1nc(OC)nc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1889119663 YVUHCKSITMOAKB-NSHDSACASA-N 353.448 0.681 0 40 FCAB OCCOc1cccc(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)c1 2037971244 IEVVWVKGTITZJF-JSXRDJHFSA-N 373.449 0.567 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)C2CCOCC2)CC1 2055773116 YCLRPNIHUFCPLU-UHFFFAOYSA-N 364.446 0.390 0 40 FCAB CCOC(=O)N1CCN(c2cc(=O)n(-c3ccccc3F)c(=O)[nH]2)CC1 4033707 FNLXQKVIDGGTRL-UHFFFAOYSA-N 362.361 0.943 0 40 FCAB CCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C 4161082 CHKILWOFKTXWHO-UHFFFAOYSA-N 351.432 0.168 0 40 FCAB CCCC[C@@H]1[C@H](C(=O)OCC)C(=O)NC1(C(=O)OCC)C(=O)OCC 4897381 KBGXJFCLAXHIMH-NEPJUHHUSA-N 357.403 0.967 0 40 FCAB COc1ccc(C2=NO[C@H](Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)cc1 5207407 FDOWEJBHFZVMIU-ZDUSSCGKSA-N 369.381 0.636 0 40 FCAB C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 5360928 WCNURUVYXFYQSA-SNVBAGLBSA-N 360.345 0.877 0 40 FCAB C[C@]1(NC(=O)CCNS(=O)(=O)c2ccccc2)CCS(=O)(=O)C1 8133390 IXLLKWWTNGTEEZ-AWEZNQCLSA-N 360.457 0.048 0 40 FCAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@H](C)C(=O)NC(N)=O 8373032 MANFXSZVXHOIRG-SKDRFNHKSA-N 353.350 0.707 0 40 FCAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)Cn2cnnn2)c1C 9216654 JXXVOUAUKXSCTB-OAHLLOKOSA-N 372.429 0.936 0 40 FCAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccccc1 9449428 TZXZHHUSQWGISA-SWLSCSKDSA-N 373.434 0.963 0 40 FCAB CCc1nc2ccccc2c(=O)n1CC1(O)CCN(C(=O)COC)CC1 12187191 YEHXBFIZNWUNPP-UHFFFAOYSA-N 359.426 0.959 0 40 FCAB CC[C@H]1C(=O)NCCN1C(=O)CN1C(=O)COc2c(Cl)cccc21 19661094 OLTMEITXTOUDSM-NSHDSACASA-N 351.790 0.802 0 40 FCAB CCS(=O)(=O)NCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 31220521 ZHILHMUEQZFHMW-UHFFFAOYSA-N 365.459 0.823 0 40 FCAB COC(=O)c1ccc(Cl)cc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 48264725 DDDYFAVSNZEPIZ-JTQLQIEISA-N 361.803 0.809 0 40 FCAB O=S(=O)(c1cccnc1)N1CCN(S(=O)(=O)c2cccs2)CC1 48366439 UFFGGLULUOAQFQ-UHFFFAOYSA-N 373.481 0.838 0 40 FCAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)c1 49083154 IOLWWGDVIJGJMS-GFCCVEGCSA-N 358.398 0.838 0 40 FCAB C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)N1CCOCC1 58294061 UEARWSLISBFBFX-CYBMUJFWSA-N 358.398 0.150 0 40 FCAB CCOC(=O)c1oc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)nc1C 84795665 XBWXJLCHZHDUHL-SNVBAGLBSA-N 359.404 0.912 0 40 FCAB O=C(c1cnccn1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96159079 WTWHAUCUMCFRAV-UHFFFAOYSA-N 358.377 0.917 0 40 FCAB CS(=O)(=O)N[C@@H]1COCCC12CCN(C(=O)Cc1ccco1)CC2 96219149 WMFGLWUQEKGKMU-CQSZACIVSA-N 356.444 0.769 0 40 FCAB Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC(=O)N(C)C 226686074 WRMUPAYXFBADGE-UHFFFAOYSA-N 355.460 0.398 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1C(N)=O 244986063 JDTSNHPYXUCREV-VCTAVGKDSA-N 370.427 0.409 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2cnc(-c3cnn(C)c3)cn2)CC1 257231413 GGOVJMOCEDTDHC-UHFFFAOYSA-N 350.448 0.863 0 40 FCAB Cc1nccnc1CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 294615183 PSQWWHTZERWURG-HZPDHXFCSA-N 358.442 0.885 0 40 FCAB Cn1ncc2c(N3CCN(C(=O)c4ccc(O)cc4)CC3)nc(N)nc21 576412946 VVAHCFANXXXNKP-UHFFFAOYSA-N 353.386 0.614 0 40 FCAB Cc1ccc(C[C@]2(CO)CN(CC(=O)Nc3ccn(C)n3)CCO2)cc1 585278198 NBUIIMXYHLLKEB-LJQANCHMSA-N 358.442 0.973 0 40 FCAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)/C=C/CN2CCOCC2)C1 585291647 RAXOCUAVHHUOQY-YWPBOTNQSA-N 353.463 0.409 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cn(C)c3ccccc23)CCO1 648439332 QHSGMVSEJFETMT-CQSZACIVSA-N 373.409 0.952 0 40 FCAB CC[C@@](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)(C(=O)O)c1ccccc1 666371510 QUYNILYSCQYROI-PBHICJAKSA-N 368.455 0.959 0 40 FCAB CC(C)NC(=O)c1c2c(nn1C)CO[C@H](CNC(=O)CC1(O)CCC1)C2 1614928792 SCIGEXYVBUNUEM-LBPRGKRZSA-N 364.446 0.421 0 40 FCAB C=CC(=O)NCCC(=O)N1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1 1640037734 MJJTZQLLQFGHPW-KGLIPLIRSA-N 355.398 0.798 0 40 FCAB O=C(NC1CCC1)c1nnc2n1C[C@]1(CCN(C(=O)c3cc[nH]c3)C1)OC2 2055793516 NJJFAPRNLYNAOB-GOSISDBHSA-N 370.413 0.704 0 40 FCAB COCCNC(=O)CN1C(=O)N[C@]2(CCCc3cc(OC)ccc32)C1=O 3303345 HZUKEYUPPZNAKW-SFHVURJKSA-N 361.398 0.541 0 40 FCAB COCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3324178 HSYXYJWHJVKFIM-UHFFFAOYSA-N 362.473 0.786 0 40 FCAB CCCC[C@H]1[C@@H](C(=O)OCC)C(=O)NC1(C(=O)OCC)C(=O)OCC 4897384 KBGXJFCLAXHIMH-NWDGAFQWSA-N 357.403 0.967 0 40 FCAB COCCCNC(=O)NC(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C 7654467 YCCLRESXYYNMSY-UHFFFAOYSA-N 353.375 0.853 0 40 FCAB Cc1csc(=O)n1CC(=O)OCC(=O)NC(=O)NCc1ccco1 7735662 XHMJUALGSHZKIT-UHFFFAOYSA-N 353.356 0.380 0 40 FCAB O=C(CN1CCC[C@]2(CNC(=O)c3ccccc3O2)C1)NC[C@@H]1CCCO1 12121619 OCSIWMODMFEDLM-YWZLYKJASA-N 373.453 0.939 0 40 FCAB Cc1cc(=O)n2nc(NCc3ccc(S(N)(=O)=O)cc3)sc2n1 12766828 UQPAMSJQHHPAJS-UHFFFAOYSA-N 351.413 0.719 0 40 FCAB C[C@@H]1CN(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)C[C@@H](C)O1 12901784 YOEHPXHLAYVACY-RKDXNWHRSA-N 361.320 0.602 0 40 FCAB CN(Cc1ccc(Br)cc1)C(=O)Cn1ccc(=O)[nH]c1=O 12981466 NXFSMFGEPJLRIT-UHFFFAOYSA-N 352.188 0.958 0 40 FCAB COc1ccc(S(=O)(=O)N2C[C@H]3CN(C)CC[C@@]3(NC(C)=O)C2)cc1 19713020 WKYZAUQWZAIFBG-RHSMWYFYSA-N 367.471 0.526 0 40 FCAB COCCN1CCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)CC1 19749484 QSEYZYXVNZZUFT-UHFFFAOYSA-N 372.429 0.321 0 40 FCAB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2nccs2)CC1 21379984 SUSXDESEJDRRMQ-OLZOCXBDSA-N 372.516 0.299 0 40 FCAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NC[C@H]1CCS(=O)(=O)C1 44718069 VBRYSIJBPFDREQ-QLFDAEIZSA-N 368.499 0.870 0 40 FCAB CN(C(=O)CN1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 57438924 HPRLSHBBJRONFF-MRXNPFEDSA-N 369.462 0.593 0 40 FCAB COc1ccc(CCC(=O)NC[C@H](C)S(N)(=O)=O)c(OC)c1OC 95454120 KPLNMHWZIQHCNV-JTQLQIEISA-N 360.432 0.438 0 40 FCAB C[C@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)Cc1cccc(C(N)=O)n1 96001618 NDWABFPQZONMQO-RYUDHWBXSA-N 353.444 0.885 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)C2CCOCC2)C[C@@]2(CNC(=O)C2)C1 96036028 MBHFFWWTFXKWKZ-GOSISDBHSA-N 366.462 0.182 0 40 FCAB CN(C)C(=O)N1CCN(C(=O)c2ccncc2)C[C@@]2(CC(=O)N(C)C2)C1 96143422 HNZZPODRDBRBLR-SFHVURJKSA-N 359.430 0.370 0 40 FCAB CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NC4CCC4)cn23)C1 96156286 PCHZNYPVQXRTJV-LLVKDONJSA-N 363.443 0.761 0 40 FCAB O=C(N[C@@H]1C[C@H](O)[C@@H](CO)C1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 107287056 HLTHMYHYLYNXAR-WJNVRWDZSA-N 352.818 0.941 0 40 FCAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCN(C)C 225005397 SYDITXDPCRNWJJ-OAHLLOKOSA-N 357.476 0.918 0 40 FCAB Cn1nc2c(cc1=O)C[C@H](C(=O)NCCCNC(=O)OC(C)(C)C)CC2 238900392 RKZSTRNRRUYLML-GFCCVEGCSA-N 364.446 0.916 0 40 FCAB CC[C@H](CN1CCN(C)CC1)NC(=O)CC1=NNC(=O)[C@@H]2C=CC=C[C@@H]12 248029462 KTADHUSRTUUTIQ-BZUAXINKSA-N 359.474 0.363 0 40 FCAB COCCN1C(=O)C[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccccc1OC 257291473 QHBICMHGTNKBQF-PBHICJAKSA-N 350.415 0.682 0 40 FCAB Nc1nccnc1[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)CCO1 257339246 ZAXXZYXCNGRBLP-SECBINFHSA-N 356.308 0.874 0 40 FCAB CN1CCN(C(=O)CN2C(=O)C(=O)c3cc(Br)ccc32)CC1 314079874 VJGHHXDJGQSJIC-UHFFFAOYSA-N 366.215 0.752 0 40 FCAB O=C(CO[C@@H]1CSC2(C1)CN(C(=O)[C@H]1CCOC1)C2)N1CCCC1 575403005 HNJKWYKSTPWXNH-KBPBESRZSA-N 354.472 0.748 0 40 FCAB O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCN(c2nccn3cnnc23)C1 575615959 ICLQJZFZXNUAAQ-CYBMUJFWSA-N 366.381 0.791 0 40 FCAB CN1CCC(CN2CC[C@]3(CCCN(C(=O)c4ncn(C)n4)C3)C2=O)CC1 585100984 QPWFHHIEBOKJCQ-IBGZPJMESA-N 374.489 0.612 0 40 FCAB CN(C)C(=O)C[C@]1(O)COCCN(Cc2cccc(OCCO)c2)C1 585280619 MDQAECYQELMWFZ-GOSISDBHSA-N 352.431 0.099 0 40 FCAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1142641453 DOYYJKOXGGFAQV-QXOCSCLMSA-N 373.428 0.968 0 40 FCAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C[C@@H](C)O1 3167049 PASMQCFFKFIPNI-ZIAGYGMSSA-N 368.455 0.957 0 40 FCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H]1COC2(CCCC2)O1 5352722 IJOKESAGJGRMLJ-ZDUSSCGKSA-N 362.382 0.833 0 40 FCAB COc1cccc([C@@H]2C3=C(COC3=O)Nc3c2c(=O)[nH]c(=O)n3C)c1OC 16047706 CYSUEJRRYVWPKJ-LLVKDONJSA-N 371.349 0.459 0 40 FCAB Cc1ccc([C@@]2(O)CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)C2)cc1 19715852 YQNUFPOEFWQTQP-LJQANCHMSA-N 367.409 0.559 0 40 FCAB Cc1nn(CC(=O)N2CCN(c3ncccn3)CC2)c(=O)c2ccccc12 21301921 DOCATYUGNHTXHQ-UHFFFAOYSA-N 364.409 0.844 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)C2CC2)c1 25592621 ZLVXSANOXLOKFX-LBPRGKRZSA-N 355.460 0.794 0 40 FCAB COCCn1nc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)ccc1=O 31134448 KISMLEHFQQUCOU-UHFFFAOYSA-N 366.399 0.514 0 40 FCAB NC(=O)[C@@H]1CCCN1C(=O)c1cc(-n2cnnn2)ccc1Br 32103862 BTABXVSHRFVKDB-NSHDSACASA-N 365.191 0.515 0 40 FCAB CCOCCCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2OC)C1=O 32721640 ZEMFTYGJKNPGGH-UHFFFAOYSA-N 363.370 0.851 0 40 FCAB COc1cccc(N2CCN(C(=O)CCCN3C(=O)CNC3=O)CC2)c1 32731334 KIBICOZGQSMGDW-UHFFFAOYSA-N 360.414 0.676 0 40 FCAB CC(C)C[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)N(C)C 40114355 BXJWAPDHRJCZID-HNNXBMFYSA-N 359.430 0.801 0 40 FCAB CN(C)CCCNC(=O)C(=O)Nc1cccc(C(=O)c2nccn2C)c1 44893485 BXUNRHHKOHLMFI-UHFFFAOYSA-N 357.414 0.658 0 40 FCAB C[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)C(=O)NCc1ccccc1 56758374 RUBRHHSLHRQYKS-GXTWGEPZSA-N 353.444 0.425 0 40 FCAB CC1(C)C[C@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCO1 72404657 XUOSMSMHOSDRSP-NEPJUHHUSA-N 371.459 0.226 0 40 FCAB O=C(O)C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CCO1 91292491 UGWOBOZYXCYYSO-JTQLQIEISA-N 359.176 0.313 0 40 FCAB O=C(c1cccnc1)N1CCO[C@@]2(COCCN(c3cncnc3)C2)C1 96229474 XBAHJROGOAIQGY-GOSISDBHSA-N 355.398 0.620 0 40 FCAB COc1ccc(-n2c(=O)[nH]c3nc(NCCN(C)C)ncc3c2=O)cc1 102911429 UOGHQVBVMRGYJT-UHFFFAOYSA-N 356.386 0.451 0 40 FCAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@@H]21 247534584 PYBQCNGASXPHLJ-JTNHKYCSSA-N 355.416 0.188 0 40 FCAB Cc1ccnn1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1 257214601 CMPJETJOHZJCNB-KRWDZBQOSA-N 355.442 0.780 0 40 FCAB CO[C@@H]1c2cc(Br)ccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]21 257216516 CUVGJZTWHGUGMH-FAYOZSNISA-N 361.188 0.584 0 40 FCAB CC(=O)NCc1cnc(CC2CCN(S(=O)(=O)N(C)C)CC2)cn1 257246934 IWQACOLUOBGECV-UHFFFAOYSA-N 355.464 0.174 0 40 FCAB C[C@]1(C(=O)NCCO)CCCN1Cc1cccc(CN2CCOCC2)c1 257340575 ZGSVKXDHMVWPEF-HXUWFJFHSA-N 361.486 0.982 0 40 FCAB Cc1nnc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)s1 408545213 ZRSLBAZECVEOPR-UHFFFAOYSA-N 369.476 0.538 0 40 FCAB CNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)c1 521256580 RTPXVRMSGGUWSO-NSHDSACASA-N 360.457 0.748 0 40 FCAB CN1CCC[C@@H](CNC(=O)CN2CSCC2=O)[C@@H]1c1cncn1C 583619567 STSFVZRSCVOKET-BLLLJJGKSA-N 351.476 0.452 0 40 FCAB Cn1nccc1C(=O)N1C[C@H]2OC[C@@H](CC(=O)NCc3ccco3)[C@H]2C1 585108424 KCKRYZBGJZALDQ-XNRPHZJLSA-N 358.398 0.807 0 40 FCAB Cn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3cnccn3)C2)cn1 585112855 XGTJXDNNVCDNNJ-HNNXBMFYSA-N 366.429 0.784 0 40 FCAB Cc1ncnc(N2C[C@@H]3CN(S(=O)(=O)c4cnn(C)c4)C[C@H]3C2)c1C 585618247 PPEKHRMJADPIHX-ZIAGYGMSSA-N 362.459 0.584 0 40 FCAB COC(=O)[C@H]1CCc2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C1 601045188 TVTMHGXQNXGNOT-LBPRGKRZSA-N 364.427 0.931 0 40 FCAB Cn1cc(O[C@@H]2CN(S(=O)(=O)CCc3ccccc3)C[C@H]2O)cn1 625315838 WTMACJRSWDHPRH-HZPDHXFCSA-N 351.428 0.417 0 40 FCAB O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CC(N2CC[C@@H](O)C2)C1 651093920 HQMCVRAYCCZAQN-GOEBONIOSA-N 365.478 0.127 0 40 FCAB CN1CC(=O)N(CCN2CCN(c3ncnc4ccsc34)CC2)C1=O 659949380 GVKRIBUCLAWKSE-UHFFFAOYSA-N 360.443 0.707 0 40 FCAB CS(=O)(=O)N1CCC2(CC1)CN(C(=O)Cc1ccccn1)CCO2 1565542295 OGGNXGINZFTEJL-UHFFFAOYSA-N 353.444 0.277 0 40 FCAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)[C@H]2CCOC2)Cc2ncnn2C1 1565546549 GNUIHWJGDYSBTK-HOTGVXAUSA-N 369.425 0.589 0 40 FCAB CCOC(=O)C1CCN(S(=O)(=O)c2nc3nc(C)cc(C)n3n2)CC1 1087888 CJMDFPWXRRTBSV-UHFFFAOYSA-N 367.431 0.705 0 40 FCAB NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc3cccnc23)s1 3923941 FZHGBFVLVKBLAD-UHFFFAOYSA-N 371.425 0.535 0 40 FCAB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O 8651827 XUQAGEFQGZGTOD-NEPJUHHUSA-N 351.407 0.322 0 40 FCAB COc1cc(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)nc(OC)n1 9113594 WTSMFIHNSAEOGC-UHFFFAOYSA-N 363.359 0.270 0 40 FCAB Cc1nnc(NC(=O)CSc2nc(=O)n(CCO)c3c2CCC3)s1 10256601 IDCBRYACFFXTCO-UHFFFAOYSA-N 367.456 0.615 0 40 FCAB C[C@H](C(=O)N1CCN(C=O)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 10284263 UAVKZATXPPUKMG-GFCCVEGCSA-N 373.862 0.795 0 40 FCAB CONC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 10635972 UFMXBIIJPMHSRL-UHFFFAOYSA-N 362.367 0.948 0 40 FCAB CCOC(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 12739191 OTBZLAVXBQDLBE-HNNXBMFYSA-N 373.413 0.407 0 40 FCAB NC(=O)CSc1nnc(SCn2nnc3ccccc3c2=O)s1 14095708 OHJVZFWEWDFXCD-UHFFFAOYSA-N 366.453 0.970 0 40 FCAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3sccc3C(N)=O)nn12 15853977 SBNUJLGGQSKICP-QMMMGPOBSA-N 374.382 0.777 0 40 FCAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1nnn(-c2ccccc2)c1=O 16362408 SYSVYUDZIQFIRM-TZMCWYRMSA-N 358.402 0.834 0 40 FCAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCC(=O)N(C)C)C(C)C)c1 39976507 WHOYGBZCWXWROK-MRXNPFEDSA-N 365.430 0.663 0 40 FCAB O=C(CN1CCN(C[C@H](O)c2ccccc2Cl)CC1)N1CCOCC1 40105752 ZKRDOVPPVOUJRO-KRWDZBQOSA-N 367.877 0.850 0 40 FCAB Cc1cnn(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 40156669 SHGWHJCYZQXKQO-UHFFFAOYSA-N 366.418 0.864 0 40 FCAB C[C@@H](C(=O)NCCNC(=O)C1CCCCC1)N(C)c1nccn2cnnc12 95432826 QDOIAAYVTXXZMJ-ZDUSSCGKSA-N 373.461 0.762 0 40 FCAB Cc1oncc1C(=O)N1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 108525544 FDLAQYWTPGTGCY-GFCCVEGCSA-N 357.432 0.686 0 40 FCAB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1COCCN1 152413523 MNMFCUDBMMBDNB-JSGCOSHPSA-N 362.348 0.892 0 40 FCAB O=C1CCC(C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)=NN1 238826951 DZFOTSZWVACTCT-UHFFFAOYSA-N 364.789 0.443 0 40 FCAB CN(C)c1nccnc1[C@@H]1CN(C(=O)c2cnn3cccnc23)CCO1 257267640 MIFLWEUFPWCQLV-ZDUSSCGKSA-N 353.386 0.799 0 40 FCAB CN1CCN(C[C@]2(O)CCN(Cc3ccc(OCCCO)cc3)C2)CC1 257285978 PJPQXOPPGRNTBL-HXUWFJFHSA-N 363.502 0.632 0 40 FCAB Cc1cc2cc(C(=O)N[C@@H]3CC[C@@H](N4CCNC(=O)C4)[C@@H]3O)ccc2o1 257287025 POEKDCUUPKLKCT-IIDMSEBBSA-N 357.410 0.795 0 40 FCAB O=C([C@H]1CN(c2ccc3nncn3n2)Cc2ccnn21)N1CCCCO1 306132889 LVIXJRUAPLVLDJ-CYBMUJFWSA-N 354.374 0.436 0 40 FCAB Cn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)C4CC(F)C4)C[C@@H]3C2)cn1 585108032 XJPNAECNLUDEML-KNZJIWTASA-N 350.394 0.468 0 40 FCAB COc1ccc(CNC(=O)[C@H]2CCN(C)S2(=O)=O)cc1OC(F)F 648241177 YQEWFGHFZLZBHZ-GFCCVEGCSA-N 364.370 0.947 0 40 FCAB COc1cc(C(=O)N2CCn3c(nc(CN(C)C(C)C)cc3=O)C2)on1 1565555066 QEUYPIMXXPGQAJ-UHFFFAOYSA-N 361.402 0.736 0 40 FCAB Cc1nnc2ccc(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)nn12 2086884677 HVDRNBHWCZCSOK-LBPRGKRZSA-N 366.372 0.896 0 40 FCAB CC(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)O 2140497 VBVNAGGXPWGYAJ-NRWJCBQCSA-N 373.402 0.608 0 40 FCAB biogenic CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2OC)CC1 3370553 HCKFLTZILFLWDK-UHFFFAOYSA-N 372.399 0.856 0 40 FCAB Cn1c(=O)c2c(nc3n2C[C@H](COc2ccc(Cl)cc2)O3)n(C)c1=O 4371072 OLYHCUZUAOKXMS-LLVKDONJSA-N 362.773 0.927 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)cnc21 12533763 LYIMSXIHNVUGBN-UHFFFAOYSA-N 370.388 0.618 0 40 FCAB COc1ccc(OC)c(S(=O)(=O)Nc2nc(O)c3[nH]cnc3n2)c1 28249520 XZWXOVMSGWENDW-UHFFFAOYSA-N 351.344 0.877 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)CCC(=O)Nc2nccs2)CC1 32916135 WIWKSQMNUVJLMO-UHFFFAOYSA-N 360.461 0.402 0 40 FCAB COc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1S(=O)(=O)N(C)C 32926138 HEGRHJSAXSPZTQ-VIFPVBQESA-N 364.445 0.317 0 40 FCAB O=C([C@H]1C[C@H](O)CN1)N1CCN(c2ccc(Br)cn2)CC1 37811365 NBGNNFODCUEHKE-NWDGAFQWSA-N 355.236 0.216 0 40 FCAB Cc1ccccc1OCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 42383031 HWJIPAQPISYLRE-UHFFFAOYSA-N 355.460 0.067 0 40 FCAB Cc1cc(C(=O)NCc2cccnc2-n2cncn2)ccc1-n1cnnn1 47122354 AKMFRWOHCNEAFH-UHFFFAOYSA-N 361.369 0.876 0 40 FCAB O=C(Cc1ccccn1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 58140466 NTLIZHYUBFMJBS-UHFFFAOYSA-N 366.487 0.889 0 40 FCAB CC(C)N(C)S(=O)(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 58208657 LPPPITBZYVXIET-UHFFFAOYSA-N 368.503 0.900 0 40 FCAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 61719187 GOLVZHHDIRMQKB-ZDUSSCGKSA-N 359.430 0.416 0 40 FCAB Cc1cc(C(=O)N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)no1 96050385 XNWZHYKRJVEYAF-QGZVFWFLSA-N 358.402 0.280 0 40 FCAB CCOC(=O)[C@]12CCCN(C(=O)c3ccnnc3)C[C@H]1CN(C(C)=O)C2 96056015 FPOGAVKUTPVEAI-YJBOKZPZSA-N 360.414 0.740 0 40 FCAB O=C(c1cnccn1)N1CCCn2c(nc(Cn3ccnc3)cc2=O)C1 96086879 HGDPCEWQEJUZCG-UHFFFAOYSA-N 351.370 0.324 0 40 FCAB O=C1CCCC(=O)N1CCS(=O)(=O)Nc1cnn(C2CCOCC2)c1 96123394 QJIMNUOPXFCRQB-UHFFFAOYSA-N 370.431 0.515 0 40 FCAB O=C1C[C@H](SCCN2CNC(=S)NC2)C(=O)N1c1ccccc1 101984716 BMJDGORIEMITBI-LBPRGKRZSA-N 350.469 0.746 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)COc2ccccc2)Cc2ccnn21 247530495 OQDZSKVJLZOYGX-AWEZNQCLSA-N 364.427 0.395 0 40 FCAB CN(C)c1cc(N2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)ncn1 248138334 SKNRYVANKYNSSE-LBPRGKRZSA-N 355.464 0.077 0 40 FCAB O=C(COc1ccc(F)cc1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257214436 CLZXNSMYTSKMDN-JFIYKMOQSA-N 352.406 0.935 0 40 FCAB C[C@@]1(O)CCN(C(=O)c2ccncn2)C[C@H]1n1cnc2c(N)ncnc21 257216640 CVMHINXZZHSGJB-BDJLRTHQSA-N 354.374 0.037 0 40 FCAB CCCS(=O)(=O)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 306126452 DWGMKWMSDYJTDN-ZDUSSCGKSA-N 374.484 0.689 0 40 FCAB CCN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Cl)cc1 575425227 RKNACWKVBWJOMH-NEPJUHHUSA-N 353.849 0.509 0 40 FCAB O=C(CCc1ccccc1)N1CC[C@](O)(CN2CCC(O)CC2)[C@@H](O)C1 585285646 RKZJPRAGLNNFEQ-ICSRJNTNSA-N 362.470 0.400 0 40 FCAB CNC(=O)[C@]1(C)CN(CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 585287623 ZQNZOQOPMCMFLG-SFHVURJKSA-N 365.449 0.994 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)n1 1565553126 LGEMAUBFZNGWPP-ZDUSSCGKSA-N 357.418 0.871 0 40 FCAB CCn1cc(CN[C@@H]2CCc3onc(CNS(C)(=O)=O)c3C2)cn1 2055731567 FGHDWMBCEZGLGN-GFCCVEGCSA-N 353.448 0.587 0 40 FCAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O 2561173 YBPCRFFMGCXYQW-FZMZJTMJSA-N 360.370 0.837 0 40 FCAB in-vitro CC(=O)Nc1nonc1-c1nnc(SCC(N)=O)n1-c1ccccc1 9878470 GNHDGLPISBBFOF-UHFFFAOYSA-N 359.371 0.853 0 40 FCAB COC(=O)c1ccc(C)c(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 10026661 ISRWMWYDCOXTJP-UHFFFAOYSA-N 355.354 0.864 0 40 FCAB CCCNC(=O)[C@@H](C)NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 12868882 VDFGOQXHUJRQRQ-JWAFFJSPSA-N 367.471 0.998 0 40 FCAB Nc1nnc(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)s1 14124600 XEWLNTIOGKWWAW-UHFFFAOYSA-N 355.445 0.400 0 40 FCAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC[C@@H]2CCCO2)cc1 19796987 XIDDKBCCNOBOSW-BPUTZDHNSA-N 373.496 0.703 0 40 FCAB CCOC(=O)[C@H](CO)N[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41104830 MNLNZIJOLOZQMO-KBPBESRZSA-N 365.430 0.543 0 40 FCAB O=C(CN1CCN(c2ccc(F)cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 57440299 UOEOOXLDZHQQJZ-CQSZACIVSA-N 355.435 0.251 0 40 FCAB COCCS(=O)(=O)N1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1 72265450 PWOLZMPMVLNMOA-UHFFFAOYSA-N 370.427 0.586 0 40 FCAB Cc1ccc(C2=NN(/C=c3\sc4ncnn4c3=O)[C@@H](C(=O)O)C2)cc1 256027770 ATJHWGHNHGDZRA-BFTHVDOESA-N 355.379 0.480 0 40 FCAB CNc1cc(N2CC[C@](O)(CNC(=O)CCn3nccc3C)C2)ncn1 257241467 HYCRFZLUPOBVSL-KRWDZBQOSA-N 359.434 0.171 0 40 FCAB CN1CCO[C@H]([C@@H](NC(=O)CS(C)(=O)=O)c2ccc(Cl)cc2)C1 330587649 TUOGBQNLULTRJP-ZFWWWQNUSA-N 360.863 0.873 0 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0 40 FCAB O=C(OC[C@H](O)C(O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1 18087637 UVZWLAGDMMCHPD-SJPCQFCGSA-N 360.362 0.783 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@H]1c1cc(N2CCN(C)CC2)cc(C)n1 19698291 YEPIYWOBIUBFBJ-SFHVURJKSA-N 359.474 0.941 0 40 FCAB O=C(CCCCCn1nnc2ccccc2c1=O)NCCN1CCOCC1 20676300 CPNDLVCTGMLYRK-UHFFFAOYSA-N 373.457 0.800 0 40 FCAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCNC(=O)C2)cc1 24831054 FLDUOABWFNJAFP-UHFFFAOYSA-N 369.443 0.054 0 40 FCAB CN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nccs3)o2)CC1 35597490 MNGNRBUHRYBICD-UHFFFAOYSA-N 356.429 0.925 0 40 FCAB C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 52634706 ZDCMJTIRCCSCSN-GJZGRUSLSA-N 351.472 0.500 0 40 FCAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cn1 70017491 QMLPYACFKLVRLI-ZIAGYGMSSA-N 361.427 0.728 0 40 FCAB CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1ccc(=O)[nH]n1 72324273 BSPLYBZCLQCUQS-VIFPVBQESA-N 361.383 0.857 0 40 FCAB CS(=O)(=O)N[C@@H]1CCCN(CC(=O)Nc2nnc(-c3ccco3)o2)C1 78971008 QEPLDFBRFWAULC-SNVBAGLBSA-N 369.403 0.282 0 40 FCAB O=C(COc1ccc(-n2cccn2)nn1)N1CCN(c2ccccn2)CC1 90607727 WDRTXIRQUOMWPA-UHFFFAOYSA-N 365.397 0.785 0 40 FCAB CCOc1ccc(S(=O)(=O)NCCC(=O)NC(C)(C)C(=O)O)cc1 95956928 ILIIKVKSTXEGNE-UHFFFAOYSA-N 358.416 0.733 0 40 FCAB Cn1cc(N2C[C@@]3(COCCN(C(=O)c4ccc[nH]4)C3)OCC2=O)cn1 96240220 YDYHRDXRVAOIPE-KRWDZBQOSA-N 359.386 0.023 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247541375 SKCKJJGICRNHKS-AWEZNQCLSA-N 364.427 0.718 0 40 FCAB CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(C(=O)Cc3ccccc3)CCN21 253408339 XLXBZIOYURWJBR-INIZCTEOSA-N 365.499 0.796 0 40 FCAB biogenic,in-vitro CC(C)Oc1ccc(CNC(=O)C(=O)NCCCN2CCOCC2)cc1 298110384 PDGSMDNWRSMVMY-UHFFFAOYSA-N 363.458 0.929 0 40 FCAB CCOC(=O)COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 409111770 DXVGIXCRXIUGCJ-UHFFFAOYSA-N 370.427 0.515 0 40 FCAB O=C(O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 567796409 AVMJZOIXJHPVBG-SECBINFHSA-N 367.832 0.894 0 40 FCAB Cc1ccc(C[C@@]2(CO)CN(C(=O)COc3ncccn3)CCO2)cc1 585276340 GNVSGNUZACOJOE-IBGZPJMESA-N 357.410 0.996 0 40 FCAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)COc2ncccn2)CCO1 585277208 LBJAFXXSYIBMCE-IBGZPJMESA-N 357.410 0.996 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cccc(F)c2C)CCO1 643429652 BXNOWUJYABGMMV-CYBMUJFWSA-N 352.362 0.908 0 40 FCAB COc1ccc(C)cc1CCNC(=O)C[C@H]1CS(=O)(=O)CCN1C 644258290 KFVJPWTXYDJTAZ-HNNXBMFYSA-N 354.472 0.781 0 40 FCAB CSCC[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)O 5159069 UDEQFBPNLSBGPL-QWHCGFSZSA-N 370.427 0.596 0 40 FCAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCC(OC)OC 7458537 SIPCWWFJMZXYKQ-UHFFFAOYSA-N 351.334 0.729 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 12389616 CAWOXNUVXOVRGD-ZDUSSCGKSA-N 351.428 0.143 0 40 FCAB CN1CCc2nc3sc(SCC(=O)N4CCCC4)nn3c(=O)c2C1 15414171 LCEJABLACIXTDH-UHFFFAOYSA-N 365.484 0.853 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16024653 DOMSBGXMTOVLON-PCJHOPARSA-N 357.410 0.588 0 40 FCAB O=C(c1cnccn1)N1CC[C@H](c2nc(O)cc(-c3ccc[nH]c3=O)n2)C1 19293204 QHCZNBNFMDTDJX-NSHDSACASA-N 364.365 0.957 0 40 FCAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)C2=NNC(=O)CC2)CC3)C1 19655035 IXSJMVRNRSSYPM-NSHDSACASA-N 372.429 0.157 0 40 FCAB CCOc1ccc(-n2nnnc2CN2CCN(S(C)(=O)=O)CC2)cc1 21150129 JXROLLNQDIHUOF-UHFFFAOYSA-N 366.447 0.138 0 40 FCAB Nc1nc(CN2CCN(CC(=O)N3CCOCC3)CC2)nc2ccccc12 21412125 WNWKEGCDMXPDQY-UHFFFAOYSA-N 370.457 0.188 0 40 FCAB CCN(CCC(=O)N1CCN(c2ncccn2)CC1)CC(=O)NC(C)C 32803997 RAUHTWGFBKDBCP-UHFFFAOYSA-N 362.478 0.362 0 40 FCAB COCCOc1ccc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 40134217 VYSDQNIEEGJTLZ-OAHLLOKOSA-N 370.471 1.000 0 40 FCAB NC(=O)c1cnc(SCC(=O)N2CCN(c3ccccc3)CC2)nc1N 90610109 RMVNFYRINGPUTP-UHFFFAOYSA-N 372.454 0.599 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1cscn1)C2 96050361 LJUWVXCPSSLTSA-INIZCTEOSA-N 360.443 0.440 0 40 FCAB O=C(Cn1ncccc1=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96121867 RYKDFHGPZUKSJC-UHFFFAOYSA-N 351.359 0.067 0 40 FCAB CCN1C(=O)C[C@@H](N2CCC(C3CCN(S(C)(=O)=O)CC3)CC2)C1=O 100226883 XVNGOAIGNWENLB-OAHLLOKOSA-N 371.503 0.517 0 40 FCAB Cn1c(=O)c2[nH]c(SCC(=O)NCc3ccccc3)nc2n(C)c1=O 101159020 UEEZYDHTQFDBRX-UHFFFAOYSA-N 359.411 0.369 0 40 FCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H]1COc2ccccc2O1 195555685 DGNRKCOGLMFVCT-UONOGXRCSA-N 368.455 0.452 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 225407616 XLNVZPNNRXJKCA-GFCCVEGCSA-N 367.431 0.989 0 40 FCAB O=c1c(=O)n2c(nn1CC1CCC1)[C@@H]1CN(Cc3cccnc3)C[C@@H]1C2 306131750 KOSSYKBARAHEOB-HZPDHXFCSA-N 353.426 0.829 0 40 FCAB CS(=O)(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2F)C1 575067114 YDLVIZJXRZRGPV-SNVBAGLBSA-N 352.391 0.980 0 40 FCAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cnccn3)C[C@H]12)c1cscn1 575406644 ZIEYYOGUNGHJTA-MISXGVKJSA-N 359.411 0.450 0 40 FCAB CNS(=O)(=O)c1cccc2c1CCN(c1ncnc3nc(N)ccc13)C2 585082523 CCJFSEFUKGVZHU-UHFFFAOYSA-N 370.438 1.078 0 40 FCAB CC(C)N(CC(N)=O)C(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1135624717 MCLSSTCXFPQLCQ-QGZVFWFLSA-N 357.451 0.861 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 1518775581 UROUJZAMASXJGT-MRXNPFEDSA-N 373.409 0.980 0 40 FCAB COC1(CC(=O)N2CCn3c(COc4ncccn4)nnc3C2)CCC1 1565551050 MEIDTYRVHZGBMC-UHFFFAOYSA-N 358.402 0.949 0 40 FCAB CC(C)N(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)O1 1614931069 BKBDQTDRSKGPMC-RHSMWYFYSA-N 351.451 0.546 0 40 FCAB CCOC(=O)[C@H]1COC2(CCN1C(C)=O)CN(C(=O)c1ccc(C)o1)C2 1614939201 VSBQQGJIQYDFDZ-CQSZACIVSA-N 364.398 0.983 0 40 FCAB COCCc1nsc(N2CCO[C@H](C(=O)N3CCSCC3)C2)n1 1888859335 OGXVZKCWGGLIIY-NSHDSACASA-N 358.489 0.508 0 40 FCAB O=C(c1cc2c(nn1)CCCC2)N1CCN(S(=O)(=O)C2CC2)CC1 1888879606 BKMKFLWEKCYNEY-UHFFFAOYSA-N 350.444 0.605 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2cnc(C)cn2)CC1 2055773070 RIUTUNZBJCYXLI-UHFFFAOYSA-N 372.429 0.376 0 40 FCAB COCCC(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055782080 IDZRFVRDJAKWBF-UHFFFAOYSA-N 362.352 0.916 0 40 FCAB O=C(NCC(=O)N1CCOCC1)c1ccccc1I 3549472 ZYWMXIYXAFHNSR-UHFFFAOYSA-N 374.178 0.880 0 40 FCAB CCN(CC)C(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 5040835 HMQRQEFDGBXOAH-YVEFUNNKSA-N 353.419 0.899 0 40 FCAB O=C(O)c1ccccc1S(=O)(=O)N1C(=O)c2ccccc2S1(=O)=O 5685337 DTEHYTBGWVAHFK-UHFFFAOYSA-N 367.360 0.918 0 40 FCAB CCN1C(=O)[C@H](NC(=O)C(=O)NCCCN(C)C)c2cc(Cl)ccc21 9304560 UYRVRQFUYCSSNQ-CQSZACIVSA-N 366.849 0.932 0 40 FCAB Cn1c(=O)n(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)n1C 30836355 IESCDPIAHVLCRU-UHFFFAOYSA-N 352.416 0.049 0 40 FCAB COc1cccc(CNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 31044599 WIKLXICUIIAJCQ-UHFFFAOYSA-N 356.448 0.329 0 40 FCAB CN1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)NCc1cccs1)N2C 35442466 XQXTUQBHNNAVQW-BJJXKVORSA-N 350.488 0.647 0 40 FCAB biogenic,in-vitro Cc1noc(CS(=O)(=O)Cc2cccc(S(=O)(=O)N(C)C)c2)n1 36396207 BVAWUIVVZPWLJU-UHFFFAOYSA-N 359.429 0.743 0 40 FCAB CNC(=O)NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 36646141 CTPNLLRQIKZVOZ-UHFFFAOYSA-N 358.383 0.657 0 40 FCAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(-c2nnn(C)n2)cc1 44900688 ZMIWLDLAYQLGCV-AWEZNQCLSA-N 357.418 0.416 0 40 FCAB O=C(CC[C@H]1NC(=O)NC1=O)NCC1(c2ccc(F)cc2)CCOCC1 56251298 FGDSKPYKIKFUKG-CQSZACIVSA-N 363.389 0.978 0 40 FCAB O=C(NCc1ccnc(-n2cccn2)c1)c1cnc2nc(O)[nH]c(=O)c2c1 58391775 WNIJZKFAWRTRDG-UHFFFAOYSA-N 363.337 0.534 0 40 FCAB CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc2ccc(C)cn2c(=O)c1C=O 96517676 GLBUVCSQKFJWMT-CYBMUJFWSA-N 372.381 0.073 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@H](Oc2cccnn2)C1 225410167 ZYHHXMROLDDJTK-CYBMUJFWSA-N 351.366 0.866 0 40 FCAB O[C@H]1[C@H](NC2CCOCC2)C[C@H](Cn2cc(-c3cccnc3)nn2)[C@H]1O 225500805 JRIDSKJXCXCQRK-UWIFEVILSA-N 359.430 0.219 0 40 FCAB biogenic,in-vitro O=C(CN1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1)NC[C@H]1CCCO1 253615494 OCSIWMODMFEDLM-FOIQADDNSA-N 373.453 0.939 0 40 FCAB Cc1noc(C)c1C(=O)N1CCOC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257225547 FGRNFUCMRZMFAB-SNVBAGLBSA-N 354.388 0.632 0 40 FCAB COc1ncccc1C(=O)NC[C@@]1(O)CCCN(c2cc(C)ncn2)C1 257267192 MGHMUPUBNWGPHZ-SFHVURJKSA-N 357.414 0.950 0 40 FCAB Cc1cn([C@H]2CCC[C@H](N(C)C(=O)CCC(=O)O)[C@@H]2O)c(=O)nc1O 257308567 TXFWMSDLVARVNL-MJVIPROJSA-N 353.375 0.035 0 40 FCAB Cn1nc(C(F)(F)F)cc1S(=O)(=O)Nc1cnn(C)c1C(=O)O 530136859 IVIFEZIKXQRELQ-UHFFFAOYSA-N 353.282 0.671 0 40 FCAB CC(C)S(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 575402591 CFOJTCOYYZHXTG-RRFJBIMHSA-N 353.444 0.496 0 40 FCAB Cn1nnc2c1[C@@H](COCCN1CCCC1)CN(C(=O)c1cc[nH]c1)C2 585110915 YXDDRWKYPPYBGC-OAHLLOKOSA-N 358.446 0.995 0 40 FCAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2cc[nH]n2)CCO1 585282946 KBGMYLAEPXXDLU-KRWDZBQOSA-N 362.361 0.714 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CCO1 681943729 ODBKXZFSXKXZOA-GDBMZVCRSA-N 369.462 0.411 0 40 FCAB COc1ccccc1OCC(=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966357 ZXEWLBWLKNORNB-UHFFFAOYSA-N 360.345 0.879 0 40 FCAB Cc1cc(N2C[C@@H]3CN(c4cc(O)nc(O)n4)C[C@H]3C2)n2nccc2n1 1888881870 ZBNLRAAHTAZQJM-RYUDHWBXSA-N 353.386 0.812 0 40 FCAB Cn1cnc2c(N3CCN(c4cc(=O)n5ccccc5n4)CC3)ncnc21 1888918168 PMXBUXQCPZWGRH-UHFFFAOYSA-N 362.397 0.698 0 40 FCAB c1cc(N2CCN(c3ccc4nncn4n3)CC2)nnc1N1CCOCC1 1889151329 ZRVRVOJQBNKUCG-UHFFFAOYSA-N 367.417 0.078 0 40 FCAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1C 863225 DBWPKHGSLWRQHY-GFCCVEGCSA-N 373.413 0.603 0 40 FCAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)O)ccc12 1891591 YDFZBUVZZZFHOD-SNVBAGLBSA-N 362.338 0.186 0 40 FCAB biogenic CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1=NCCS1 2648948 JGZVEUUESJTXIK-CYBMUJFWSA-N 353.469 0.982 0 40 FCAB O=C(NC(=S)NCCNC(=S)NC(=O)c1ccco1)c1ccco1 3257741 SSVVXFLDEWNXSU-UHFFFAOYSA-N 366.424 0.781 0 40 FCAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)CO)CC2=O)cc1 4085151 ZIMMQRUATZQRBV-RWMBFGLXSA-N 363.414 0.050 0 40 FCAB biogenic CCN(C(=O)COC(=O)c1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 4506306 COAQXWZHVAMDFX-HNNXBMFYSA-N 368.455 0.945 0 40 FCAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NC(N)=O 5572395 KOEUJPVACWMCOG-SNVBAGLBSA-N 365.361 0.805 0 40 FCAB CCCCN(C(=O)COC(=O)C1CC1)c1c(N)n(CCC)c(=O)[nH]c1=O 7737373 DENCQWGAPJDFSM-UHFFFAOYSA-N 366.418 0.615 0 40 FCAB COC(=O)c1cnc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)s1 9515331 NXMTXEBUCVSVCO-UHFFFAOYSA-N 368.396 0.366 0 40 FCAB CC(C)CNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O 10031097 PWKDMBCRFSUUPU-HNNXBMFYSA-N 352.416 0.997 0 40 FCAB S=C(NC[C@@H]1CCCO1)N1CCN(C(=S)NC[C@H]2CCCO2)CC1 13101004 XPDXBUNSWVQNDN-OKILXGFUSA-N 372.560 0.711 0 40 FCAB C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)NC(=O)NC1CC1 21977653 BYNYSPROPZLWHW-ZETCQYMHSA-N 373.362 0.007 0 40 FCAB CCCNC(=O)CN1CCN(C[C@H](O)COCc2cccs2)CC1 22934662 ITCLFAIYOZZXOZ-HNNXBMFYSA-N 355.504 0.769 0 40 FCAB O=C(Cc1noc(C(=O)NCCO)n1)Nc1cccc(C(F)(F)F)c1 32072016 UKVOOCKHOXEROQ-UHFFFAOYSA-N 358.276 0.992 0 40 FCAB COc1ccc(NC(=O)CNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 36357116 LUDARWRBGJHZKE-LLVKDONJSA-N 371.415 0.129 0 40 FCAB CCO[C@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 40154518 QGJAINIFJSXZFS-CQSZACIVSA-N 370.475 0.075 0 40 FCAB CN1CCN(CC(=O)N2C(=O)[C@@H]3CCCCN3C(=O)c3ccccc32)CC1 40386403 JBXAHYCYYBXDET-KRWDZBQOSA-N 370.453 0.802 0 40 FCAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 92570197 ZYXYTGUHZNOYFE-AWEZNQCLSA-N 363.443 0.480 0 40 FCAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(S(=O)(=O)C1CC1)CC2 96199874 UVUUECVHGPKQPM-CQSZACIVSA-N 352.460 0.693 0 40 FCAB COC(=O)CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 107184277 HOTBPXFTLKIXEM-STQMWFEESA-N 354.428 0.706 0 40 FCAB CC1CCN(S(=O)(=O)c2ccc(N3C[C@H](C(N)=O)CC3=O)cc2)CC1 226318309 RFIDWAJGSOJZJS-CYBMUJFWSA-N 365.455 0.945 0 40 FCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3cc[nH]n3)CC2)CC1 257285342 PGRJKSQCUAHMFB-GOSISDBHSA-N 363.462 0.367 0 40 FCAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1n[nH]c2c1CCC2 257307135 SXIOQPAYXWZCKC-SFHVURJKSA-N 356.430 0.792 0 40 FCAB CS(=O)(=O)N1CCC[C@@]12CCN(C(=O)Cc1ccccc1)C[C@@H]2O 257329813 XLPWUVDHXLFTRB-RDJZCZTQSA-N 352.456 0.617 0 40 FCAB COC(=O)CNC(=O)[C@H](CCSC)n1c(O)nc2ccccc2c1=O 524734343 VFQWXFIJCJKOPI-LBPRGKRZSA-N 365.411 0.686 0 40 FCAB NC(=O)COc1ccc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)cc1 532003137 HJDNNCFDMZLUOE-CQSZACIVSA-N 350.371 0.647 0 40 FCAB Cn1cnnc1C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 642320228 RGRVJZXVAFFCFK-UHFFFAOYSA-N 369.472 0.561 0 40 FCAB O=C(O)CN1CCCC[C@@H](N2CCN(c3ncccc3F)CC2)C1=O 643875942 GDTYRLDIVRXHCG-CQSZACIVSA-N 350.394 0.808 0 40 FCAB CN1CCN(C(=O)CN2CCCC[C@@H](O)C2=O)C[C@@H]1Cc1ccccc1 644472581 QIJJLFJGEKCVND-ZWKOTPCHSA-N 359.470 0.745 0 40 FCAB Cc1c([C@@H]2[C@@H](C(=O)NCCc3ncc[nH]3)CC(=O)N2C2CC2)cnn1C 668536266 QYHPGPVKFIYTTN-GUYCJALGSA-N 356.430 0.863 0 40 FCAB NC(=O)c1ccc(N2CCN(C(=O)C3=C4CCN=C4NC=C3)CC2)cc1 1121922939 RUOLSTJVTVLFEI-UHFFFAOYSA-N 351.410 0.650 0 40 FCAB COCCN1C[C@H]2C(=O)N(C)C3(CCN(C(=O)c4cc[nH]n4)CC3)[C@@H]2C1 1565546744 JLPVFEHSAQDOAL-ZIAGYGMSSA-N 361.446 0.051 0 40 FCAB CN1C(=O)c2cccnc2C12CCN(C(=O)Cn1ccccc1=O)CC2 1565555157 UUCFRTRIMVYULQ-UHFFFAOYSA-N 352.394 0.847 0 40 FCAB Cn1cc(N2C[C@]3(CCN(C(=O)Cn4cc(Cl)cn4)C3)CC2=O)cn1 1614934072 MPKDECHYDUMGJX-MRXNPFEDSA-N 362.821 0.926 0 40 FCAB CC(C)N(C)CC(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2ccccn2)C1 2055772294 RPEBKTJCMOZLRD-RCCFBDPRSA-N 374.485 0.902 0 40 FCAB C[C@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 838187 FQBHTDVKMNUCEO-JTQLQIEISA-N 361.377 0.414 0 40 FCAB CCOC(=O)Cn1c(NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 1042095 VKOLILTVJFRWGF-UHFFFAOYSA-N 371.397 0.609 0 40 FCAB CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](CC(C)C)C(=O)O)CC1 4083637 VKCFPASEIRYKAH-KBPBESRZSA-N 373.519 0.921 0 40 FCAB biogenic O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)C1CC1 4323075 XFRWLQPIKKFDGU-UHFFFAOYSA-N 355.435 0.804 0 40 FCAB CCOC(=O)[C@@H]1C(=O)NC(C(=O)OCC)(C(=O)OCC)[C@H]1[C@@H](C)CC 4897388 TWEJOQSOWLBDGC-SRVKXCTJSA-N 357.403 0.823 0 40 FCAB CCOP(=O)(OCC)/C(=C\N1C(=O)CC(=O)NC1=S)C(=O)OC 5853333 QBRDMNLBBRNUEY-FPLPWBNLSA-N 364.316 0.900 0 40 FCAB C[C@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)C 7501874 YCEYAZSZUDXESN-JTQLQIEISA-N 353.400 0.135 0 40 FCAB CC(C)c1csc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)n1 8709944 BBFBMMMOFUNQPU-UHFFFAOYSA-N 362.415 0.652 0 40 FCAB Cn1c(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc(=O)n(C)c1=O 10498269 OFFIDJLASXDHQV-IBGZPJMESA-N 368.393 0.368 0 40 FCAB O=C(Cn1cccnc1=O)NCCN1CCC(O)(c2ccc(F)cc2)CC1 12326240 DXVLJIVMLWSHTB-UHFFFAOYSA-N 374.416 0.482 0 40 FCAB CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14085915 KVYKJRGQXYNKEB-UHFFFAOYSA-N 365.455 0.144 0 40 FCAB O=C(CSc1nc(=O)c2cnn(CCO)c2[nH]1)Nc1ccccc1F 15881214 QHWBKBJZQCEGNC-UHFFFAOYSA-N 363.374 0.982 0 40 FCAB C[C@@H](C(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1)N1CCOCC1 19077516 FLQFZHFYRRJHBJ-HNNXBMFYSA-N 359.426 0.147 0 40 FCAB CCc1nnc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)s1 28975654 HOSJUDGWGUWJNX-DTWKUNHWSA-N 358.445 0.075 0 40 FCAB NC(=O)NC(=O)c1ccsc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 35897901 DVGHNGLKXOBWHA-XAVMHZPKSA-N 353.356 0.373 0 40 FCAB CC1(C)NC(=O)N(CCC(=O)NCc2cccnc2-n2cccn2)C1=O 58268721 WTCWONIFOUGFFU-UHFFFAOYSA-N 356.386 0.604 0 40 FCAB CN1C[C@H](NC(=O)CSc2nncn2-c2cccc(Cl)c2)C(=O)N1 95465426 OMBCSZLUQKIETQ-NSHDSACASA-N 366.834 0.474 0 40 FCAB O=C1C[C@H](N2CCN(c3ncccn3)CC2)C(=O)N1CCc1ccccc1 100055476 XSNZZZSKFINTMF-KRWDZBQOSA-N 365.437 0.969 0 40 FCAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cc(C(C)=O)ccc3OC)C(=O)[C@@H]12 100166183 TXIBPILFQLURGF-OLZOCXBDSA-N 359.338 0.278 0 40 FCAB CC(=O)Nc1ccc(N2C(=O)[C@H]3C(c4cnn(C)c4C)=NO[C@H]3C2=O)cc1 101506033 RFUYHQKSBYTZPM-GOEBONIOSA-N 367.365 0.979 0 40 FCAB CCc1nccn1CCC(=O)N(C)C[C@@]1(O)CCN(c2cnccn2)C1 257263932 LSCMOHMFGGJVEW-SFHVURJKSA-N 358.446 0.725 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cc3c(OC)cccc3[nH]2)CCN1C(C)=O 257311668 UKOKYHBTFXBUJD-HNNXBMFYSA-N 358.398 0.595 0 40 FCAB O=C1CCCN1CC[C@H]1CCOC12CN(S(=O)(=O)C(F)(F)F)C2 306137674 RCWQJZJSROOINP-JTQLQIEISA-N 356.366 0.939 0 40 FCAB CCn1cc(CN2CCn3cc(CC(=O)NCCOC)nc3[C@@H]2C)cn1 306140433 UTPVDGJIBLJUPS-AWEZNQCLSA-N 360.462 0.981 0 40 FCAB CS(=O)(=O)NC[C@H]1CC[C@]2(COCCN(C(=O)CC3CCCC3)C2)O1 306140821 VEQMMWVHEPXQIT-WBVHZDCISA-N 374.503 0.893 0 40 FCAB CN1C(=O)N[C@@]2(CCN(CC(=O)Nc3nc4c(s3)CCCC4)C2)C1=O 556841371 XELGYKFJGICBMV-MRXNPFEDSA-N 363.443 0.587 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1 575421200 ILLIIPSFMWAZCK-HNNXBMFYSA-N 374.484 0.520 0 40 FCAB Cn1ncnc1C(=O)N1CCC2(CC1)CO[C@H](CN1CCC[C@H]1CO)C2 585103128 DLIGHHPSWHXUNC-GJZGRUSLSA-N 363.462 0.283 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(S(=O)(=O)Cc2ccc(C)c(F)c2)C1 643696498 VBWIOEBFCCKMBX-INIZCTEOSA-N 358.435 0.927 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2n[nH]c3ccccc23)CCO1 681944457 YPOXXONPJWYULL-CYBMUJFWSA-N 374.397 0.266 0 40 FCAB Cc1ccc(S(=O)(=O)NCC(=O)NCCn2nnc3ccccc32)cc1 1143072857 ZQWZPBZPORPWKR-UHFFFAOYSA-N 373.438 0.834 0 40 FCAB O=C(COC(=O)CCCOc1ccccc1)N[C@H]1CCS(=O)(=O)C1 4317397 XCNVSEFAFKTPHV-ZDUSSCGKSA-N 355.412 0.692 0 40 FCAB Cc1cc(=O)n(-c2ccc(S(=O)(=O)NC(=N)N)cc2)c(C)c1C(=O)O 5462938 PXEZVWVUSOFOHS-UHFFFAOYSA-N 364.383 0.324 0 40 FCAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(N)=O 6464704 XQOVIISBWQAKRP-JQWIXIFHSA-N 360.457 0.504 0 40 FCAB COCCN1C(=S)N(c2ccccc2OC)[C@@H]2CS(=O)(=O)C[C@@H]21 9344562 KOLLFZPTBXSFKK-QWHCGFSZSA-N 356.469 0.914 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](Cn3ccnc3)C2)cc1 12219560 DORZFGSZDPELDR-HNNXBMFYSA-N 364.427 0.931 0 40 FCAB Cc1cc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCN(C)CC2)no1 21156682 NIGBEIGNIUJWAK-OAHLLOKOSA-N 374.445 0.365 0 40 FCAB COC(=O)[C@@H](CCSC)NC(=O)Cc1nn(C)c(=O)c2ccccc12 22975949 YCEAGOAKWZJGAU-CYBMUJFWSA-N 363.439 0.887 0 40 FCAB CN(CC(=O)N(C)CC(=O)NC(C)(C)C)Cc1nc2ccccc2c(=O)[nH]1 35334247 YJWXZMJEHPDPFU-UHFFFAOYSA-N 373.457 0.728 0 40 FCAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 40154123 LWCVNMQYPFBKGV-UHFFFAOYSA-N 368.415 0.490 0 40 FCAB CC(C)C(=O)NCCNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 48003950 USQZCGHRARWJOH-ZDUSSCGKSA-N 353.444 0.977 0 40 FCAB O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)Nc2cccc(F)c2)CC1 52443194 QLXHYNWAWSYYKJ-UHFFFAOYSA-N 362.361 0.651 0 40 FCAB CN(Cc1nnnn1C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 52826965 GPORUGOGEXOZGY-UHFFFAOYSA-N 368.401 0.125 0 40 FCAB NC(=O)NC(=O)CCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 53944816 PEYUOAJKUGOMPF-UHFFFAOYSA-N 362.474 0.932 0 40 FCAB CCCC[C@H](NC(N)=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 58063681 LYZBVPKFKJMEFO-AWEZNQCLSA-N 370.475 0.617 0 40 FCAB CCOC(=O)Nc1nnc(S(=O)(=O)CC(=O)N(C)C(C)C)s1 58245250 OZHHBUNPJGSCBM-UHFFFAOYSA-N 350.422 0.747 0 40 FCAB Cc1ccc([C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)N(C)C)cc1 58264591 ZJHYDVZKMJTTGU-MRXNPFEDSA-N 353.488 0.444 0 40 FCAB CN1C(=O)CO[C@@H](C(=O)NCCN2CCOCC2)[C@H]1c1ccccc1F 72241632 GOLPRPXKMNDWCZ-IAGOWNOFSA-N 365.405 0.172 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCCn1cccn1 72305574 ZFHCTLQACGJVSL-LLVKDONJSA-N 355.420 0.144 0 40 FCAB CCOC(=O)CCNC(=O)NCCn1c(=O)[nH]c2ccsc2c1=O 225806793 NNKXXCAFJZWBBH-UHFFFAOYSA-N 354.388 0.004 0 40 FCAB O=S(=O)(c1cn[nH]c1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257218104 DBXGWXYOJYROCK-GFCCVEGCSA-N 350.391 0.266 0 40 FCAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)N1CCOCC1 408626768 WTZQITLXNPTVLJ-AWEZNQCLSA-N 368.455 0.925 0 40 FCAB CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2nccn2C(F)F)CC1 516654949 OACPOTDUHJKMJY-NEPJUHHUSA-N 355.389 0.647 0 40 FCAB Cc1cn2nc(N[C@H]3CCN(C(=O)c4ccn(C)c(=O)c4)C3)ccc2n1 584010103 DYAZYKSZTDQXTG-AWEZNQCLSA-N 352.398 1.063 0 40 FCAB Cc1cnn(C)c1-c1cnc2n1CCN(C(=O)CN1CCOCC1)CC2 585111200 ISXPDNSOBZLQPM-UHFFFAOYSA-N 358.446 0.309 0 40 FCAB O=C(CC1(O)CCC1)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1cccnc1 1565545216 BNMGMBRRXJRFOJ-AUUYWEPGSA-N 359.426 0.730 0 40 FCAB Cc1ccccc1OC[C@@]1(O)COCCN(CC2(O)CCOCC2)C1 1615143961 VABFBULSDRPGJW-IBGZPJMESA-N 351.443 0.979 0 40 FCAB Cn1cc(S(=O)(=O)NCC2(N3CCOCC3)CCSCC2)cn1 1776009567 JBBHVKSURKYLTA-UHFFFAOYSA-N 360.505 0.296 0 40 FCAB O=C(NC1CCCC1)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332243149 MQLYADFRIJWTAD-HNNXBMFYSA-N 371.503 0.602 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1 780695 XYDISNOFPFWEDN-UHFFFAOYSA-N 353.444 0.339 0 40 FCAB NC(=O)CC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)O 2646223 MKMYDGDMMJGGPJ-QMMMGPOBSA-N 354.306 0.702 0 40 FCAB COC(=O)c1ccccc1NC(=O)[C@H](CCS(C)(=O)=O)NC(C)=O 4100522 XBPSXGZLIOMLQY-ZDUSSCGKSA-N 356.400 0.351 0 40 FCAB COc1ccc(N2C[C@@H](NC(=O)NCCN(C)C)CC2=O)cc1OC 4479799 FSMCRVBUQWBYQF-LBPRGKRZSA-N 350.419 0.670 0 40 FCAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)N1CCC[C@H](C)C1 5039239 SAKOVNOTCQBLHA-NSHDSACASA-N 370.427 0.758 0 40 FCAB CCN(CC)C(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 5040837 HMQRQEFDGBXOAH-SJKOYZFVSA-N 353.419 0.899 0 40 FCAB Cc1cccn2c(=O)cc(COC(=O)CCCN3C(=O)CN(C)C3=O)nc12 7933625 VADBSEYBPZMISM-UHFFFAOYSA-N 372.381 0.720 0 40 FCAB CC(C)Cn1c(S[C@H](C)C(=O)NC(N)=O)nnc1N1CCOCC1 8249980 CAAVJUCXJDVKIQ-SNVBAGLBSA-N 356.452 0.446 0 40 FCAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCNC1=O 9377795 OPHYWBBIKNBXBL-UHFFFAOYSA-N 370.394 0.753 0 40 FCAB CC(C)(CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCOCC1 16010861 VLFVDMIUDYUWBH-HUUCEWRRSA-N 365.474 0.779 0 40 FCAB CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O)C(=O)O 16899599 GJCUXYMAXJIYPE-CHWSQXEVSA-N 350.396 0.949 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)N[C@H]2CCOc3ccccc32)n(C)c1=O 19313450 LQFLBEMKMWTMKG-LBPRGKRZSA-N 369.381 0.074 0 40 FCAB O=C(CCn1cccn1)N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19406142 HZDOWCXZLJSPOO-OAHLLOKOSA-N 356.430 0.921 0 40 FCAB COCCC(=O)N1C[C@@H]2CCC[C@H](C1)C2(O)c1cnc(OC)nc1OC 19593061 XCVIBXHJAIBBAO-NCNPBXTDSA-N 365.430 0.976 0 40 FCAB Cc1ccc(S(=O)(=O)NCCCNC(=O)CN2CCOCC2)cc1 20368298 ZBZICYBYINMYCF-UHFFFAOYSA-N 355.460 0.112 0 40 FCAB CC1CCC2(CC1)NC(=O)N(CN1CCCN(S(C)(=O)=O)CC1)C2=O 27086514 OZRZALNZCZCWLV-UHFFFAOYSA-N 372.491 0.412 0 40 FCAB COCCOC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C)c(C)c1 36712452 SOSALADDDGFMDO-ZFWWWQNUSA-N 357.428 0.617 0 40 FCAB NS(=O)(=O)c1cccc(S(=O)(=O)NCCSC(F)(F)F)c1 40118780 LJCWYSMKWRNZOF-UHFFFAOYSA-N 364.392 0.865 0 40 FCAB COC(=O)C1CCN(C(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)CC1 57753664 OXEOPSSURFARAW-MRXNPFEDSA-N 359.426 0.310 0 40 FCAB Cn1cc(C(=O)N2CCc3nc(NC(=O)[C@H]4CCCO4)sc3C2)nn1 75157896 HXOMZUYAMLSLJZ-LLVKDONJSA-N 362.415 0.588 0 40 FCAB COC(=O)Cn1ccnc1CNC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 95441816 PMRCGLLJZSPJAJ-GFCCVEGCSA-N 369.385 0.587 0 40 FCAB O=S1(=O)CC[C@@H](CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 95449634 DHEFJHBFBUUWHA-QMMMGPOBSA-N 363.848 0.929 0 40 FCAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(CCO)CC1 95471209 ULOKDQNOYKCBNJ-UHFFFAOYSA-N 374.441 0.811 0 40 FCAB Cc1cccc(CO[C@@H]2CO[C@@]3(CCN(S(=O)(=O)N(C)C)C3)C2)n1 96107633 ZDOLBGYIFOLFAX-HOTGVXAUSA-N 355.460 0.946 0 40 FCAB CCN1C(=O)C[C@H](N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 100879017 RCWOVHCCBAXFGL-HNNXBMFYSA-N 365.455 0.449 0 40 FCAB O=C1COC(=O)N1[C@H]1CCN(S(=O)(=O)c2cccc3cccnc23)C1 225704206 BDCGBWMWASSRBN-LBPRGKRZSA-N 361.379 0.977 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ncccn1)CC2 247881972 QNCGCXITHXNOQT-ZDUSSCGKSA-N 368.459 0.237 0 40 FCAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cccnc2)C[C@H]1O 257337284 YSDZWALIZBJTSB-MGPQQGTHSA-N 351.403 0.543 0 40 FCAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCO 409189377 KHWMBLFRSQGKHS-UHFFFAOYSA-N 364.423 0.652 0 40 FCAB CC(C)C(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)Cc3ccccc3)C2)C1 514290435 ZLSZGOXVOIRTDI-QZTJIDSGSA-N 371.481 0.744 0 40 FCAB biogenic,in-vitro O=C(Cn1nnc2ccccc2c1=O)N[C@@]1(CO)COc2ccccc2C1 529822300 ZNNFRURSMLZEMM-IBGZPJMESA-N 366.377 0.274 0 40 FCAB CN(C)c1ncn(-c2cccc(NC(=O)CCNS(C)(=O)=O)c2)n1 582021882 DACUCTXBRHXKOD-UHFFFAOYSA-N 352.420 0.211 0 40 FCAB Cc1snnc1C(=O)N1CCO[C@@H]2C[C@H](COCC(=O)N(C)C)C[C@H]21 585108306 XNJKSTBXEAMBHZ-JHJVBQTASA-N 368.459 0.571 0 40 FCAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCCc2c(C)nn(C)c2C)C1 585123201 RJLKJYRZUKCWOV-AWEZNQCLSA-N 371.507 0.550 0 40 FCAB CO[C@]1(CCC(=O)NCCn2nc(C)nc2C)CCCN(C(C)=O)C1 585280494 JNQGNPKMAVEMST-KRWDZBQOSA-N 351.451 0.819 0 40 FCAB COC(=O)c1ccc(-c2nc(O)[nH]c2C2C(=O)N(C)C(=O)N(C)C2=O)cc1 604405179 MFNQOFZNJSMDPN-UHFFFAOYSA-N 372.337 0.703 0 40 FCAB biogenic C[C@@H]1[C@@H]2CN(S(=O)(=O)c3cnn(C4CCOCC4)c3)[C@@]1(C(=O)O)C2 663291778 FWFGDMPUUXGTQJ-ZETOZRRWSA-N 355.416 0.718 0 40 FCAB C=CC(=O)N(CC)CC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1135689738 LEOKBPYVPWHVNB-GFCCVEGCSA-N 353.444 0.888 0 40 FCAB Cc1cnc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(Cc2cnc[nH]2)CCO3)nc1 1565541669 LTGIZWNGOVUROV-MAUKXSAKSA-N 372.429 0.184 0 40 FCAB CCc1cnc(N2CCO[C@@H]3CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)CC[C@@H]3C2)nc1 1565544110 DJKMQNCTKYPMHZ-SFFUCWETSA-N 372.469 0.985 0 40 FCAB COCCNC(=O)c1cnn2c1CN(C(=O)CN(C)C(C)C)CCC2 1565550967 IMJHFGLKVUMYOU-UHFFFAOYSA-N 351.451 0.332 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)CCc3ccc[nH]3)CC[C@H]21 1565554579 BSOGOQXOQVRYHV-HUUCEWRRSA-N 355.460 0.599 0 40 FCAB COC1(CNC(=O)NCCc2ccccc2)CCN(S(C)(=O)=O)CC1 1889211666 ZDFTZUZATABING-UHFFFAOYSA-N 369.487 0.969 0 40 FCAB CC(=O)N1CCN([C@H]2CCN(Cc3csc(C)n3)CC[C@@H]2O)CC1 2037849757 FMLUNHWYSPBQQT-IRXDYDNUSA-N 352.504 0.941 0 40 FCAB COc1cnc(C(=O)N2CC3(C[C@@H](N4CCOCC4)CS3)C2)cn1 2056223872 JMHCQHKBGZAYRQ-GFCCVEGCSA-N 350.444 0.518 0 40 FCAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(=O)[nH]c(=O)[nH]1 3525279 XTNVEGAMPNAZTF-UHFFFAOYSA-N 371.393 0.701 0 40 FCAB Cc1ccccc1OCCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 5988978 GHYLDIRQLZYXKE-CYBMUJFWSA-N 355.412 0.610 0 40 FCAB CNC(=O)c1ccc(CN(C)C(=O)c2cnc3n(c2=O)CCS3)cc1 14119769 PHHSMENHOYOVKP-UHFFFAOYSA-N 358.423 0.981 0 40 FCAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1N 16755786 KUNKXRBYJBEEOL-UHFFFAOYSA-N 365.415 0.439 0 40 FCAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccon1 23107247 XHEKFISENVQFOU-AWEZNQCLSA-N 362.361 0.942 0 40 FCAB O=C1c2ccccc2C(=O)N1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 23249323 FBWDIJRASVNYMT-ZDUSSCGKSA-N 363.439 0.045 0 40 FCAB COCCNC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28209753 HFQRXGBMVSTOND-ZDUSSCGKSA-N 370.427 0.446 0 40 FCAB COc1ccc(OCCN2CCN([C@H](C)C(=O)NC(N)=O)CC2)cc1 32512098 JAMVWPUWGISPOF-CYBMUJFWSA-N 350.419 0.275 0 40 FCAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1 49548371 PBEQZYHQMHEWEK-UHFFFAOYSA-N 353.386 0.873 0 40 FCAB CC(=O)N1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cnccn2)cc1 67896907 RUNCNTPQQBYPQI-NVXWUHKLSA-N 370.365 0.536 0 40 FCAB biogenic,in-vitro C[C@@H](Sc1ccccn1)C(=O)NCCS(=O)(=O)N1CCOCC1 75109306 JTGSWASADFBQJG-GFCCVEGCSA-N 359.473 0.340 0 40 FCAB CC(=O)NCC(=O)NCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 77140489 QCCRHMZYTOAWDF-HNNXBMFYSA-N 360.458 0.362 0 40 FCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1ccncc1)C2 96050427 UNIMDINCCLYIBW-IBGZPJMESA-N 368.441 0.655 0 40 FCAB CCCS(=O)(=O)N1CC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225824 DPOXIDVBEFDOLC-INIZCTEOSA-N 366.443 0.658 0 40 FCAB CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O)C(=O)O 100855724 GJCUXYMAXJIYPE-STQMWFEESA-N 350.396 0.949 0 40 FCAB CN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CCOCC2CCOCC2)C1 247985468 YYPAXDXZPHGGOW-INIZCTEOSA-N 372.491 0.880 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)CC1 253473134 RSBSPWWGRDTKIR-CQSZACIVSA-N 367.475 0.601 0 40 FCAB CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)c3cccnc3)C2)ncn1 257321034 VZVGGTKPVDDNOH-GOSISDBHSA-N 356.430 0.699 0 40 FCAB Cn1cc(CN2C[C@H]3c4nn(CC5CCC5)c(=O)c(=O)n4C[C@H]3C2)cn1 306126893 FIEHABCDONXBBN-HUUCEWRRSA-N 356.430 0.168 0 40 FCAB O=C(NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1n[nH]c2c1CCC2 524731121 KTKPTWSKVFRMFE-KGLIPLIRSA-N 367.453 0.909 0 40 FCAB biogenic CC(C)C(=O)N1C[C@@H]2COCCN2C2(C1)CN(C1CCN(C)CC1)C2 604382009 YTQKRCJINRJIDT-QGZVFWFLSA-N 350.507 0.334 0 40 FCAB biogenic,in-vitro CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 643705023 HGUMNRRNDMDOHB-INIZCTEOSA-N 354.428 0.537 0 40 FCAB COc1cnc(C(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)nc1 1565555123 SRWQDRLNCBMUHF-UHFFFAOYSA-N 354.374 0.368 0 40 FCAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)[C@H]5CCCCO5)C[C@H]4C3)ncnc21 1888868601 LZDLBGFQBGCZFJ-MGPQQGTHSA-N 356.430 0.827 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cc[nH]n5)C[C@@H]4C3)nn12 1888904414 WSFVISQFLBNCIQ-RYUDHWBXSA-N 352.402 0.618 0 40 FCAB COc1cnc(O[C@@H]2CCN(CC(=O)N3C[C@@H](C)O[C@H](C)C3)C2)nc1 2086954075 YQAXITKKBJTZOL-MGPQQGTHSA-N 350.419 0.574 0 40 FCAB COC(=O)c1ccc2c(=O)n3c(nc2c1)S[C@H]1CS(=O)(=O)C[C@@H]13 2461990 BDCRGOOXAQXNEW-QWRGUYRKSA-N 352.393 0.627 0 40 FCAB CN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 5442219 HKONYYMKDKWRBA-UHFFFAOYSA-N 368.459 0.015 0 40 FCAB Cn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 5862857 CMDSACXYUPCMAJ-SECBINFHSA-N 356.429 0.471 0 40 FCAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1c[nH]c(=O)[nH]c1=O 7989903 OMGSKRSNNLUEAF-UHFFFAOYSA-N 373.394 0.762 0 40 FCAB COc1ccc(N2CCn3c2nnc(C(=O)NC[C@H]2CCCO2)c3=O)cc1 12233912 GIJXEYOVYLOJFK-CQSZACIVSA-N 371.397 0.707 0 40 FCAB O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)C1CCCC1 12444875 MMEHXDZKLULBJZ-UHFFFAOYSA-N 367.475 0.235 0 40 FCAB Cn1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)n1 18948802 RAXHYVVJUXBETI-UHFFFAOYSA-N 368.390 0.832 0 40 FCAB C[C@@H]1CN(CCNC(=O)Cn2nc(O)c3ccccc3c2=O)C[C@@H](C)O1 22611922 HXCDDZRXEUIHIF-CHWSQXEVSA-N 360.414 0.328 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)c3cccnc3OCC(F)(F)F)CC2)N1 24865605 VQUARXUFPSYBGV-UHFFFAOYSA-N 372.303 0.837 0 40 FCAB NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 25777565 HVBDLBLNIHMPAR-UHFFFAOYSA-N 352.460 0.958 0 40 FCAB CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cc1 31387999 BJMXPRFSKDPKBP-UHFFFAOYSA-N 366.487 0.851 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 56184319 VJIPUDFJGHNJSN-NWDGAFQWSA-N 362.430 0.839 0 40 FCAB CN(C)C(=O)Cn1cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)nn1 56969751 YSFHGADCGAWKRT-UHFFFAOYSA-N 370.413 0.855 0 40 FCAB CS(=O)(=O)N1CCN(c2ccccc2N2C[C@H](C(=O)O)CC2=O)CC1 57327861 TYXMLEFDIINRNL-GFCCVEGCSA-N 367.427 0.206 0 40 FCAB COc1ccc(CC(=O)N2CCN(C(=O)c3ccc[nH]c3=O)CC2)cc1 58304885 VXGNKXNCOUYFPE-UHFFFAOYSA-N 355.394 0.911 0 40 FCAB CNC(=O)CN1CCC(NC(=O)N(C)Cc2ccc3c(c2)OCO3)CC1 59320051 RMTYAKVVYSACRH-UHFFFAOYSA-N 362.430 0.767 0 40 FCAB CCOC(=O)Cc1csc(NC(=O)CN2CCCN(C(N)=O)CC2)n1 96012945 MRVOCJIJPPAVCR-UHFFFAOYSA-N 369.447 0.274 0 40 FCAB Cc1cccc(C(=O)N2CCCn3c(nc(Cn4cncn4)cc3=O)C2)n1 96059629 RAIKENYQURPMKY-UHFFFAOYSA-N 365.397 0.633 0 40 FCAB COCC(=O)NC[C@H]1COCc2nc3cc(S(C)(=O)=O)ccc3n21 96112570 NHGTXZKSJFSCFR-JTQLQIEISA-N 353.400 0.274 0 40 FCAB biogenic,in-vitro CC(C)C(=O)N1CCC2(CC1)[C@@H]1CN(C(=O)N(C)C)C[C@@H]1C(=O)N2C 96143596 OYBUBBSPBGXJLC-UONOGXRCSA-N 350.463 0.705 0 40 FCAB COc1cccc(OCCNS(=O)(=O)c2nnc(NC(C)=O)s2)c1 225155267 JCVZMJYMJLJOLN-UHFFFAOYSA-N 372.428 0.862 0 40 FCAB CC(C)(C)C(=O)Nc1ccc(C(=O)CC2(O)C(=O)NC(=O)NC2=O)cc1 226795173 MMHKWOJQPGKXAN-UHFFFAOYSA-N 361.354 0.341 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257203582 AQTGXNFGWRXGBP-IIAWOOMASA-N 356.492 0.775 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 257299033 ROKKJCRBGMQRCY-GFCCVEGCSA-N 351.432 0.806 0 40 FCAB CS(=O)(=O)NCC[C@@H]1CN(C(=O)N2CCCC2)Cc2ccnn2C1 306145093 ZXXNRQDORZWDTC-CYBMUJFWSA-N 355.464 0.470 0 40 FCAB COCC(=O)N1C[C@@H]2Oc3cc(-c4cnn(C)c4)ccc3C(=O)N(C)[C@@H]2C1 514290196 VBWAPNNFPPSSHK-WBVHZDCISA-N 370.409 0.777 0 40 FCAB biogenic,in-vitro O=C(O)c1ccccc1OCCN1CCN(S(=O)(=O)C2CC2)CC1 530164675 KNLMNEJHGYLSNC-UHFFFAOYSA-N 354.428 0.873 0 40 FCAB Cc1ccc(CN(N[C@H]2CCS(=O)(=O)C2)[C@H]2CCS(=O)(=O)C2)cc1 575420731 JUHSYIZVNYWCEP-HOTGVXAUSA-N 372.512 0.676 0 40 FCAB Cc1nnc2n1C[C@H](C(=O)NCCOc1ccc(F)c(F)c1)N(C)C2 644338108 GTNXOUDZZOMFJC-CQSZACIVSA-N 351.357 0.874 0 40 FCAB Cn1nccc1[C@@H](NS(=O)(=O)c1cccc2c1OCCCO2)C(=O)O 650231615 UNBZVRIXARFAJC-CYBMUJFWSA-N 367.383 0.686 0 40 FCAB Cn1ccc(CN2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@@H]3C2)n1 1549162239 SIAKYKPKQXYNHV-INIZCTEOSA-N 373.457 0.828 0 40 FCAB O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)c3csnn3)C[C@H]2O1 1565544403 GTOTWFXOCHUPNA-ZMLRMANQSA-N 360.399 0.586 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@H]2C[C@H](COCCN3CCCC3)C[C@H]21 1565544421 KJMCVJPNVDTPLI-RRQVMCLOSA-N 364.486 0.997 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)c3cnn4ccccc34)C[C@@H]2C1 1614929372 NKKFZTPJVFNVHD-IUODEOHRSA-N 364.427 0.067 0 40 FCAB CN(C)c1nc(N)nc(COC(=O)C[C@@H](CC(N)=O)c2ccccc2)n1 4511926 DJXZLIIYCAQFFQ-GFCCVEGCSA-N 358.402 0.612 0 40 FCAB CC1(C)S[C@H]2[C@@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O 4534050 LSQZJLSUYDQPKJ-DYNIEEOBSA-N 365.411 0.024 0 40 FCAB endogenous,in-man OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(c1ccc(F)cc1)c1ccc(F)cc1 4962267 CRZNRNBMYIQRKO-DDBAPUKQSA-N 354.349 0.533 0 40 FCAB CCCCN1C(=O)[C@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 8994239 NWFXSQZYYDXSSS-VFSPDHHESA-N 370.409 0.083 0 40 FCAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCC(C)C)n1 9037979 QHWBBCKXCUMXGK-UHFFFAOYSA-N 360.418 0.927 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 10042951 QMPIQYMVOUOWJJ-UHFFFAOYSA-N 350.444 0.586 0 40 FCAB O=C(Cn1ccnc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 10809758 HPYHULTVRANFIQ-UHFFFAOYSA-N 374.466 0.905 0 40 FCAB CCn1cnc2c1c(=O)n(CC(=O)N(C)OC)c(=O)n2Cc1ccccc1 12560245 ZSDCEEVRMSXLHK-UHFFFAOYSA-N 371.397 0.448 0 40 FCAB CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O 12603572 FGQQVSWSMZNDAC-CIRFHOKZSA-N 362.426 0.051 0 40 FCAB biogenic,in-vitro COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc2c(c1)CCC2 12622799 JMJLMTNRBIEWKQ-CQSZACIVSA-N 352.412 0.228 0 40 FCAB COC(=O)CC[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)OC 14163200 KTXNPCFKIIZHIH-LBPRGKRZSA-N 361.354 0.158 0 40 FCAB O=C(O)CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 16479036 SBFXAPVIETUGQX-UHFFFAOYSA-N 356.400 0.901 0 40 FCAB O=C(CSc1nc(O)c2cnn(CCO)c2n1)Nc1nccs1 17204111 FVOWGDYBUVSRPM-UHFFFAOYSA-N 352.401 0.712 0 40 FCAB O=C(O)C1CCN([C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)CC1 18063726 BJGJAXHNEPLZQQ-ZDUSSCGKSA-N 360.366 0.886 0 40 FCAB Cc1cc(S(=O)(=O)N2CCc3nc(N)c(C(N)=O)cc3C2)ccc1F 19701115 KSSSQOUTEDFEPK-UHFFFAOYSA-N 364.402 0.957 0 40 FCAB CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 25468881 QEJMXYMBLURKLV-UHFFFAOYSA-N 354.410 0.941 0 40 FCAB COc1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1C(N)=O 32469626 WMVVZTMCQPXGKD-NSHDSACASA-N 354.428 0.984 0 40 FCAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 33023608 BXQFJMZUHLXNBX-CYBMUJFWSA-N 374.484 0.634 0 40 FCAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1ccccn1 36360019 PDFBXPYBUOHWNC-CQSZACIVSA-N 374.422 0.600 0 40 FCAB CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@H](O)C1 38289022 QOLJILMTPKQQQA-DGJKUZGGSA-N 374.474 0.469 0 40 FCAB biogenic,in-vitro Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1CCOCC1 38536825 UMCBHRFSPAPVGO-UHFFFAOYSA-N 365.415 0.289 0 40 FCAB CS(=O)(=O)NC1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1 57369360 LFIYKWYHQDGIBE-UHFFFAOYSA-N 360.480 0.159 0 40 FCAB CCCCn1c(N2CCN(C(=O)CC)CC2)nc2c1c(=O)[nH]c(=O)n2C 72260146 YXFOCOVTHRNVNW-UHFFFAOYSA-N 362.434 0.282 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 79953420 VTQYKGVAHWMFTA-CYBMUJFWSA-N 358.508 0.584 0 40 FCAB Cc1ncsc1CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 91976056 RHUDTYDEXCPOIN-UHFFFAOYSA-N 370.456 0.650 0 40 FCAB O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1C[C@H]1c1nc[nH]n1 95993621 MIIRPNLOWPWOIQ-NEPJUHHUSA-N 369.834 0.656 0 40 FCAB Cc1oncc1C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 96159154 ZGSWFSRZRNMOHA-UHFFFAOYSA-N 357.370 0.811 0 40 FCAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1cnn(C)c1)C2 107711857 RARLMBGTZCGAGK-WMZOPIPTSA-N 350.463 0.896 0 40 FCAB O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1ccc(N2CCOCC2)cc1 225785566 ZPGLUNGHVJWXQI-HNNXBMFYSA-N 354.410 0.894 0 40 FCAB Cc1occc1C(=O)N1Cc2ccnn2C[C@@H](CNS(C)(=O)=O)C1 248050110 WVURKYMOBHKIEK-LBPRGKRZSA-N 352.416 0.606 0 40 FCAB Cc1n[nH]c(C)c1CCC(=O)N(C)C[C@@]1(O)CCN(c2ncccn2)C1 257253332 JYLPDLSUURFMDL-SFHVURJKSA-N 358.446 0.849 0 40 FCAB CN(C)c1cc(N2CCC[C@](O)(CNC(=O)c3cccn3C)C2)ncn1 257291163 QFYBXNOVFZEMPE-SFHVURJKSA-N 358.446 0.642 0 40 FCAB CN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@H]1CCCN(c2ccccn2)C1 585182312 SVNNDJASQLNPIA-ZDUSSCGKSA-N 359.430 0.839 0 40 FCAB C[C@@]1(C(N)=O)CN(CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 585282513 FLPNREFOYBKAHL-KRWDZBQOSA-N 351.422 0.733 0 40 FCAB CN(C)CCCOc1ccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 663974887 HARKVMMVFDUMHP-ROUUACIJSA-N 364.490 0.833 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C3(C)CCC(OC)CC3)C2)C1 685942808 QTLMPMGYLOLVRI-LVIIFESRSA-N 351.447 0.387 0 40 FCAB COC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(n3nccn3)C2)c1 952964541 GLCMNSOKYDAAJH-UHFFFAOYSA-N 352.372 0.319 0 40 FCAB CN(C)C(=O)COC[C@@H]1CN(C(=O)CC2(O)CCC2)Cc2ncn(C)c21 1614936047 UKZLPRXNUYAQLC-ZDUSSCGKSA-N 364.446 0.256 0 40 FCAB Cc1c(C(=O)N2C[C@@H](N)[C@H](c3ccnn3C)C2)cnn1-c1ccccn1 1615590000 JIFDMHLGFOQSEZ-HUUCEWRRSA-N 351.414 0.876 0 40 FCAB COc1cc(C(=O)N2CCC3(CC2)C[C@H](OCC(=O)N(C)C)CO3)on1 2055837477 JUMQILWWRYYMET-LBPRGKRZSA-N 367.402 0.552 0 40 FCAB COc1ccc(Nc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1 5392843 DHSVZMSVSTXYCS-VYHVBIQSSA-N 373.369 0.190 0 40 FCAB CN1C(=O)C(=C2C(=O)NC(=O)NC2=O)c2cc(Br)ccc21 5510300 JUCUXKJUIFTGET-UHFFFAOYSA-N 350.128 0.545 0 40 FCAB COc1ccc(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)cn1 9613967 WICPXCDFAZLMOY-UHFFFAOYSA-N 353.338 0.538 0 40 FCAB COC(=O)C[C@H]1NC(=O)N(CN2CCN(c3cccc(C)c3)CC2)C1=O 12543596 LLXOEVVSKWWFBV-OAHLLOKOSA-N 360.414 0.558 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2CCc3ccccc32)n(C)c1=O 12547230 CYTRVYYGXSOFNI-CYBMUJFWSA-N 353.382 0.237 0 40 FCAB Cn1ncc2c(N3CCN(CC(=O)NC(=O)NC(C)(C)C)CC3)ncnc21 14198720 OAFFAUVTUOADRH-UHFFFAOYSA-N 374.449 0.110 0 40 FCAB COc1ccc(S(=O)(=O)NNc2ccc(S(N)(=O)=O)cc2)cc1N 16226974 ATGVGANVBHSIIY-UHFFFAOYSA-N 372.428 0.230 0 40 FCAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1nc2ncccn2n1 19657186 QDSUDLYFGPKNTD-UHFFFAOYSA-N 352.354 0.849 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(OCC(F)(F)F)nc3)CC2)N1 25007679 MKVWOEDNEFPKTD-UHFFFAOYSA-N 372.303 0.837 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc2ccc(=O)oc2c1 25020391 ATABRKKRKMOJON-CYBMUJFWSA-N 374.349 0.062 0 40 FCAB CCOC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 31213596 PZMRSIYJMRXNMM-AWEZNQCLSA-N 360.414 0.731 0 40 FCAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCCNS(C)(=O)=O)c12 31219667 YBDXHPASESCOTG-UHFFFAOYSA-N 365.459 0.823 0 40 FCAB CCCn1nnnc1CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 32775006 WYMIJECGAKNCAU-MRXNPFEDSA-N 372.429 0.567 0 40 FCAB CCC(=O)O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 32942966 FVODWGKCMOBWEM-GFCCVEGCSA-N 370.427 0.988 0 40 FCAB COC(=O)CN1CCN(c2nc3sc4c(c3c(=O)n2C)CCC4)CC1 36338952 MHPKABSMXUOYOA-UHFFFAOYSA-N 362.455 0.779 0 40 FCAB CC(C)(C)c1nc(CN2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)no1 40105772 UUUUFULQUTVYOU-LBPRGKRZSA-N 370.475 0.446 0 40 FCAB COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NCCc2c[nH]cn2)C1=O 96221788 WVIVXHKZZPEPMN-AWEZNQCLSA-N 371.397 0.588 0 40 FCAB biogenic O=S(=O)(C1CC1)N1CCC[C@]2(COCCN(c3nncs3)C2)C1 96229268 AMJDJIJLGAMOKH-CQSZACIVSA-N 358.489 0.949 0 40 FCAB O=CN(CCCCCO[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 217395793 HDKQYCOTFPCXQY-KBPBESRZSA-N 367.489 0.006 0 40 FCAB CC(=O)N1CCN(CCS(=O)(=O)c2ccccc2)[C@@H](C(=O)N(C)C)C1 257259468 KYNNGSBLRFRZDT-MRXNPFEDSA-N 367.471 0.081 0 40 FCAB Cc1cc(N(C)C)cc([C@H]2CCN(S(=O)(=O)N3CCOCC3)C2)n1 257273898 NIQPGBFFVHQINW-AWEZNQCLSA-N 354.476 0.822 0 40 FCAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3n[nH]c4c3CCC4)C2)ncn1 257289797 QAFHANIMBPTQBA-SFHVURJKSA-N 356.430 0.710 0 40 FCAB Cc1cc(N2C[C@H]3OC[C@H](CNC(=O)c4ccco4)[C@H]3C2)n2ncnc2n1 306124480 BQUKHFLUYAHTSJ-GZBFAFLISA-N 368.397 0.907 0 40 FCAB Cc1c(C)[n+]([O-])c([C@@H](C(C)C)C2C(=O)NC(=O)NC2=O)n1CCN(C)C 524732906 YXDZEDNCBGJUEV-LBPRGKRZSA-N 365.434 0.022 0 40 FCAB Cc1noc(CC(=O)N2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)n1 585108526 AYLMOVBTXNYKCS-CFVMTHIKSA-N 371.397 0.960 0 40 FCAB C[C@](O)(CNC(=O)N1CCN(S(C)(=O)=O)C1=O)Cc1ccsc1 618256768 MKNZBDBWSMLRKH-CYBMUJFWSA-N 361.445 0.448 0 40 FCAB COc1ccc(S(=O)(=O)N2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)cc1F 657144903 XNWJTNIIDQCFCZ-IINYFYTJSA-N 356.379 0.756 0 40 FCAB O=C([C@H]1[C@H]2COC[C@H]21)N1C[C@H](OCCCn2cccn2)[C@H]2OCCC[C@H]21 1565549337 PPFIIZZSIMJYNO-HTPGKPQGSA-N 361.442 0.941 0 40 FCAB CN1CCN(C[C@H]2CC[C@]3(COCCN(C(=O)[C@H]4CCOC4)C3)O2)CC1 1565555091 RDGWMGNNUOHVCO-SCTDSRPQSA-N 367.490 0.047 0 40 FCAB Cn1c(=O)c2c(nc3n(CCO)c(-c4ccc(F)cc4)cn23)n(C)c1=O 719169 VVVPBPQFVUJHCL-UHFFFAOYSA-N 357.345 0.485 0 40 FCAB CC1=C(C(N)=O)[C@H](c2ccc3c(c2)OCO3)N2NC(CCCO)=NC2=N1 4294259 PSHBMOISPANOCB-HNNXBMFYSA-N 357.370 0.577 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NC(C)C)cc1 4569342 XPXRLJTXGWNUPB-AWEZNQCLSA-N 367.471 0.789 0 40 FCAB Nc1ccccc1NC(=O)c1nc2ccccc2nc1[C@H](O)[C@H](O)CO 4748183 SFSYCEFNBLAIPE-RHSMWYFYSA-N 354.366 0.851 0 40 FCAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NN3CCOCC3)C2=O)cc1 5071594 HVCFAOPMYSTJRO-SDNWHVSQSA-N 360.370 0.389 0 40 FCAB COC(=O)C1CCN(C(=O)COC(=O)c2cc(OC)ccc2O)CC1 9058133 MZBDWOCAYCPYNI-UHFFFAOYSA-N 351.355 0.969 0 40 FCAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ncccc2O)cc1 12632859 SUIJNCIAWGODEU-UHFFFAOYSA-N 351.384 0.964 0 40 FCAB O=C(O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Br)cc1 13028262 RQUOJYKFYLJFIX-SCZZXKLOSA-N 350.190 0.658 0 40 FCAB O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)NCCc1cccs1 15303185 TYFXVTUCUMPMRR-OAHLLOKOSA-N 351.472 0.730 0 40 FCAB Cc1ccccc1Cn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C 20354932 XPUUAINPQBCXCX-UHFFFAOYSA-N 369.425 0.612 0 40 FCAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OCC(N)=O)cc1)CC(O)=N2 20731611 OTXMANZBNPKOST-LLVKDONJSA-N 358.354 0.072 0 40 FCAB CCCNC(=O)NC(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1 29677656 XWYWGJDDEOBNOH-OAHLLOKOSA-N 367.494 0.241 0 40 FCAB CCN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1ccc2c(c1)OCO2 32836249 NZPXMIVWALKDIS-KRWDZBQOSA-N 368.455 0.931 0 40 FCAB C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)C1=O 40012845 GSBUFNQEKPUTOH-PXAZEXFGSA-N 366.439 0.884 0 40 FCAB Cc1cc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)nc(C)n1 40153636 ZDGOENXTPUTHGQ-UHFFFAOYSA-N 365.415 0.296 0 40 FCAB CN(C)C(=O)CCNC(=O)NCCC(=O)N1CCc2sccc2C1 52329666 WOOIMDWMIBCSRQ-UHFFFAOYSA-N 352.460 0.800 0 40 FCAB Cn1cc(C(=O)N2CCC[C@H](c3nn(C)c(=O)n3-c3ccccc3)C2)nn1 75165280 NBMIIZHRONKVSF-ZDUSSCGKSA-N 367.413 0.719 0 40 FCAB NC(=O)Cn1nnn(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)c1=O 77100165 QXSQHEFRDOPMIW-UHFFFAOYSA-N 374.307 0.445 0 40 FCAB Cn1cc([C@@H](O)CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 78374871 CUXNDWDVKXHEQL-AWEZNQCLSA-N 351.370 0.988 0 40 FCAB CCOC(=O)N1CCN(C(=O)[C@H]2CSc3nccc(=O)n3C2)CC1 85473933 NDEIHLGKRBIKRB-LLVKDONJSA-N 352.416 0.266 0 40 FCAB O=C1CC[C@H](C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)N1 90607900 GZYJLQVAMHNHMG-CYBMUJFWSA-N 367.413 0.542 0 40 FCAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(OCCCN(C)C)CC1 95407310 IZFZCJMLMPJDKY-HZPDHXFCSA-N 368.522 0.532 0 40 FCAB Cn1cc(N2C[C@@]3(COCCN(Cc4nccs4)C3)OCC2=O)cn1 96051427 DUGIRIYCCNDWOU-INIZCTEOSA-N 363.443 0.511 0 40 FCAB COc1cccc(CNC(=O)COc2cnc(S(C)(=O)=O)nc2)c1 97141222 CXINDOCKHYOPCZ-UHFFFAOYSA-N 351.384 0.584 0 40 FCAB O=C1CN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CCN1 100181126 XTULEOJPECGBEB-RXIQLXCPSA-N 369.421 0.900 0 40 FCAB CCCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224326620 OUUKZRKRCCWVMJ-UHFFFAOYSA-N 369.491 0.565 0 40 FCAB C[C@@]12C=C(Cl)[C@@](Cl)([C@H](C(=O)O)[C@@H]1C(=O)O)[C@@H](C(=O)O)[C@H]2C(=O)O 253476387 GAUWFYWDNGIVSY-UTNUPKOHSA-N 367.137 0.923 0 40 FCAB O=C(CCc1cccnc1)N1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257310086 UDQDXXLGMFOVKC-IRXDYDNUSA-N 359.426 0.631 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)C2CCOCC2)CCN1CCc1ccccc1 257333340 YBEFNKCHDAFHMS-SFHVURJKSA-N 359.470 0.915 0 40 FCAB COc1cc(N2Cc3ccnn3[C@H](C(=O)NCc3ccccn3)C2)ncn1 306136201 PMLNKVXXKBLZQY-HNNXBMFYSA-N 365.397 0.954 0 40 FCAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1c(-n2cnnn2)sc2c1CCC2 524733425 QFPROWQMIYZBBM-SECBINFHSA-N 367.456 0.377 0 40 FCAB COc1cccc(CCNC(=O)C[C@]2(O)COCCN(C(C)=O)C2)c1 585280654 MTYBTBGUDRACPY-GOSISDBHSA-N 350.415 0.354 0 40 FCAB CN1CCS(=O)(=O)C[C@H]1CC(=O)N1CCC(c2ccnn2C)CC1 644357211 MNKGCIGGPAABHS-CQSZACIVSA-N 354.476 0.245 0 40 FCAB CC[C@](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)(C(=O)O)c1ccccc1 666371511 QUYNILYSCQYROI-RHSMWYFYSA-N 368.455 0.959 0 40 FCAB Cc1nc2ncnn2c(N2CC[C@@H](N(C)S(=O)(=O)C3CC3)C2)c1C 1888856695 AERZQZQOWNILQR-GFCCVEGCSA-N 350.448 0.744 0 40 FCAB COC(CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)OC 1330347 XAYGRTORPOCWCU-UHFFFAOYSA-N 364.445 0.025 0 40 FCAB COc1cccc2c1[C@H](O)[C@]1(O)C=CC3=C(C(=O)C[C@H](C)[C@@H]3O)[C@H]1[C@@H]2O 6037346 XMXBNUIKCGPIAR-AQKQUECASA-N 358.390 0.959 0 40 FCAB biogenic CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 8751315 BRPFPXQPHKTJOL-IUCAKERBSA-N 361.445 0.342 0 40 FCAB O=C(O)CCC(=O)NN1C(O)=c2ccccc2=N[C@H]1c1ccc(F)cc1 8767839 AHASKJJXFLBLBE-QGZVFWFLSA-N 357.341 0.979 0 40 FCAB NC(=O)C1CCN(C(=O)Cn2cnc3c([nH]c4ccccc43)c2=O)CC1 14001115 CWYZGRKGNBIIRT-UHFFFAOYSA-N 353.382 0.602 0 40 FCAB CS(=O)(=O)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 15401164 OPIOYKUYXFEMSW-UHFFFAOYSA-N 356.835 0.654 0 40 FCAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCN2CCOCC2)c1 20460633 XZEMUMWKDZEQDL-UHFFFAOYSA-N 361.851 0.774 0 40 FCAB CCN1CCN(C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)CC1 22230750 PCOJUPOQCBUJCF-UHFFFAOYSA-N 355.460 0.625 0 40 FCAB O=C([C@@H]1CSCN1S(=O)(=O)c1ccccc1F)N1CCOCC1 26969887 JLMNTYRMSVFKRU-LBPRGKRZSA-N 360.432 0.748 0 40 FCAB CC(C)C(=O)N1CCN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 31543962 ZRAGXTKBBSINDA-LBPRGKRZSA-N 359.430 0.983 0 40 FCAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1 32908398 LMKQUSRRIYAUER-CYBMUJFWSA-N 362.430 0.367 0 40 FCAB Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C)C(=O)O)ccc12 36569367 PAZDWXRCHZQMKK-SNVBAGLBSA-N 362.338 0.186 0 40 FCAB biogenic CC(C)N1CCNC(=O)[C@H]1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 36743922 GLECHDYOLKNDLW-BXUZGUMPSA-N 360.414 0.943 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)C1 41165929 WIGWQPGBOBIFBV-ZDUSSCGKSA-N 363.443 0.669 0 40 FCAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H](C)Cn1cccn1 41738986 LGSOHRCOTPEFPW-LBPRGKRZSA-N 364.427 0.738 0 40 FCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2cccnc2N(C)C)C1 42994727 IORYOIZSGTXTJY-CQSZACIVSA-N 370.475 0.757 0 40 FCAB O=S(=O)(N1CCOCC1)N1CCN(c2ncnc3ccccc23)CC1 44735812 MJXKMQSEHIZHTQ-UHFFFAOYSA-N 363.443 0.329 0 40 FCAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCC(=O)N(C)C)ccc21 57280300 XMARMYBEXYQKJE-UHFFFAOYSA-N 353.444 0.697 0 40 FCAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC1 58183327 PUGIDEXRWRRDJI-LBPRGKRZSA-N 374.484 0.688 0 40 FCAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc1 58264668 WIIPMBSQTQMBKT-AWEZNQCLSA-N 367.471 0.972 0 40 FCAB CN1CCN(S(=O)(=O)c2ccc(N3CCC(CO)CC3)nc2)CC1 71954744 DAFLGJOVMHXAKQ-UHFFFAOYSA-N 354.476 0.226 0 40 FCAB CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1CCCN(Cc2ccccc2)C1 74447118 NXFLROXUTSUFOC-INIZCTEOSA-N 356.426 0.660 0 40 FCAB CS(=O)(=O)N1C[C@H](c2nc[nH]n2)c2cc(C(=O)N3CCCC3)ccc21 96267780 FBOGQCSMZWKQBH-ZDUSSCGKSA-N 361.427 0.952 0 40 FCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 105352582 PJRFPGAZODKYNO-GMNRXWLSSA-N 357.410 0.586 0 40 FCAB CN1CC2(CN(Cc3nccs3)C2)OC[C@@H]1C(=O)N1CCCCO1 248098610 ZDADPBZEQQAVQK-CYBMUJFWSA-N 352.460 0.582 0 40 FCAB CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)CCc1ccnn1C 257282172 OSRFLRKFSLFOFM-SFHVURJKSA-N 358.446 0.633 0 40 FCAB Cc1cc(CN2CC[C@]3(Cc4c(N)nc(N)nc4O3)C2)cc(C(=O)O)c1O 257322019 WEHJBDGOFJHVND-SFHVURJKSA-N 371.397 0.933 0 40 FCAB Cc1cc(CN2Cc3ccnn3C[C@H](CNS(=O)(=O)C3CC3)C2)no1 306143273 XXPUQFIBHWIXAX-CYBMUJFWSA-N 365.459 0.893 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccccn2)C1 585096065 YUTJZQOVZVMMCP-OAHLLOKOSA-N 363.443 0.691 0 40 FCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2ccncn2)CCO1 585283893 PPKKLVIGQZBGRG-GOSISDBHSA-N 374.372 0.781 0 40 FCAB CN1C(=O)CN(C2CCN(S(=O)(=O)CCC(F)(F)F)CC2)C1=O 823748700 XQTUJIXREDGWGG-UHFFFAOYSA-N 357.354 0.627 0 40 FCAB COc1nn(C)cc1C(=O)N1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 1147021088 PGBRKBXPKAAFFK-QGZVFWFLSA-N 358.402 0.431 0 40 FCAB O=C1CC2(CN(S(=O)(=O)C3CCOCC3)C2)ON1Cc1ccccc1 1549168692 XTFJVBHTNBAKEH-UHFFFAOYSA-N 366.439 0.914 0 40 FCAB Cn1c(O)nc(N2CCN(C(=O)COCc3ccccc3)CC2)cc1=O 1565520834 TWZYLAWRSMFIQN-UHFFFAOYSA-N 358.398 0.351 0 40 FCAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(C(=O)[C@H]3[C@H]4COC[C@H]43)C[C@@H]2O1 1565549977 LPLQMAVNKWAJSC-MUSZMPNRSA-N 357.410 0.919 0 40 FCAB Nc1nc(N)c2ncn(C3CN(C(=O)Cc4ccc(O)c(Cl)c4)C3)c2n1 1652237794 BYFODKBNVCLSKV-UHFFFAOYSA-N 373.804 0.976 0 40 FCAB CC(=O)N1CCN2CC(=O)Nc3cc(-c4cnn(C)c4)ccc3OC[C@@H]2C1 1772594548 KUGMBURFWIVBKR-INIZCTEOSA-N 369.425 0.951 0 40 FCAB CC(=O)N1[C@@H]2CN(C(=O)Cn3nc(C)ccc3=O)[C@@H]3CCC[C@H]1[C@]3(C)C2 1848353357 FXNIMHPWWVWHHQ-CYJAXWMASA-N 358.442 0.942 0 40 FCAB CC(C)Cn1c(N)c(C(=O)CSc2nncs2)c(=O)n(C)c1=O 3448712 VLWFHSNKZFUVLX-UHFFFAOYSA-N 355.445 0.612 0 40 FCAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCc1ccco1 4139861 NOCPDCAMMVGWLQ-UHFFFAOYSA-N 350.338 0.887 0 40 FCAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)N[C@@H]1CCS(=O)(=O)C1 6553368 LCFXRXIIVNSABJ-SNVBAGLBSA-N 355.803 0.353 0 40 FCAB C[C@@H]1Oc2ccc(S(=O)(=O)NCCOC[C@@H]3CCCO3)cc2NC1=O 12187813 GLBJSNYYRWUMTD-RYUDHWBXSA-N 370.427 0.880 0 40 FCAB CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(-n4cnnn4)cc3)ccc21 12648488 CWXWWBSFQMBFPB-UHFFFAOYSA-N 370.394 0.982 0 40 FCAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)Cn3cncn3)nc12 19126993 NUKKAUUILWDXAG-UHFFFAOYSA-N 351.370 0.366 0 40 FCAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)C2=NNC(=O)CC2)CC3)C1 19655033 IXSJMVRNRSSYPM-LLVKDONJSA-N 372.429 0.157 0 40 FCAB Cc1cc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCOCC2)no1 21156063 DUFUHVUWBHMHNY-CQSZACIVSA-N 361.402 0.450 0 40 FCAB COc1ccc(NC(=O)C[C@H](NCCCN2CCOCC2)C(=O)O)cc1 22996941 CVEBTKCXFWTDQV-INIZCTEOSA-N 365.430 0.789 0 40 FCAB C[C@@H](OC(=O)CN(C)c1ncccn1)C(=O)NC(=O)NCc1ccccc1 23173591 DDWCEQMGKOWZLS-CYBMUJFWSA-N 371.397 0.871 0 40 FCAB Cc1ccc(N2C[C@@H](C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 39996811 HNFQQSKNCFCQAK-DZGCQCFKSA-N 350.440 0.993 0 40 FCAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)C[C@@H](C)O1 40081044 AMUOSCIZGUFJEU-ZIAGYGMSSA-N 368.459 0.193 0 40 FCAB C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 48273331 VZMNBDRCFIPQEV-WCQYABFASA-N 368.459 0.587 0 40 FCAB O=C(Cn1c(-c2ncccn2)noc1=O)NC[C@@H]1COc2ccccc2O1 69949263 RYGCOHXFYCHCQB-LLVKDONJSA-N 369.337 0.250 0 40 FCAB CN(C)CCNC(=O)c1cccc(NC(=O)c2nccnc2C(=O)O)c1 71284306 ASFUMEBOMZVXIW-UHFFFAOYSA-N 357.370 0.719 0 40 FCAB O=C(COc1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95999025 NEQJSTIPGBATIH-MRXNPFEDSA-N 368.455 0.718 0 40 FCAB O=S(=O)(N[C@H]1CCCc2cn(CC(F)(F)F)nc21)N1CCOCC1 96002785 VESASRMDCBOJCS-NSHDSACASA-N 368.381 0.989 0 40 FCAB CCS(=O)(=O)N1CCO[C@]2(COCCN(Cc3cccnc3)C2)C1 96229431 DCJHMHMCHCBXCJ-INIZCTEOSA-N 355.460 0.335 0 40 FCAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3ncon3)C2)cc1C(N)=O 238889590 QLQNKQVHQZLWGQ-SECBINFHSA-N 352.372 0.355 0 40 FCAB Cc1nc2cc(C(=O)N3CCN(C(C)C)[C@@H](C(N)=O)C3)ccc2n1CCO 257199909 ABFKULQHAXLXOQ-QGZVFWFLSA-N 373.457 0.357 0 40 FCAB O=C1[C@@H](NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C[C@@H]2CCCCN12 518136129 IDYIVEXINGSRDE-KWQFWETISA-N 369.374 0.692 0 40 FCAB Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCC1(C(=O)O)CCOCC1 530140219 XTHQQNGBPQRWGG-UHFFFAOYSA-N 371.337 0.599 0 40 FCAB CCCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cnccn4)CC3)[C@H]2C1 585106260 IOAYRDGHYNLFNH-CABCVRRESA-N 357.458 0.929 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 607662980 RKJNCQVRXDWMBL-UHFFFAOYSA-N 360.418 0.273 0 40 FCAB Cc1noc([C@@H](C)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 642527903 BEBLZFFLTGLPQJ-LLVKDONJSA-N 351.432 0.909 0 40 FCAB O=C(c1cnnn1Cc1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 671631483 UCEMPERUTZTGQJ-KRWDZBQOSA-N 369.425 0.790 0 40 FCAB COc1ccc(C(=O)N2C[C@@H]3OCCN(CCN(C)C)[C@@H]3C2)c(OC)c1 1271217190 PCHUNAIAYREKDA-AEFFLSMTSA-N 363.458 0.791 0 40 FCAB COCCN1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(C(=O)c2cc[nH]n2)CC1 1565546743 JLPVFEHSAQDOAL-UONOGXRCSA-N 361.446 0.051 0 40 FCAB CC(C)NC(=O)c1n[nH]c2c1C[C@H](CNC(=O)CC1(O)CCC1)OC2 1565547630 UWMXFQHDTPDUOW-LLVKDONJSA-N 350.419 0.411 0 40 FCAB CCOC(=O)[C@@H]1C(=O)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1 4992858 WUTCWCVITCRHRV-AAEUAGOBSA-N 357.366 0.347 0 40 FCAB Cc1ccc(OCC(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 6886357 OCXBXTYYXXNOCX-ZDUSSCGKSA-N 355.412 0.529 0 40 FCAB CN(C(=O)COc1ccc(-c2nnco2)cc1)[C@H]1CCS(=O)(=O)C1 7393520 KXAIWNPTKXIXNY-LBPRGKRZSA-N 351.384 0.761 0 40 FCAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)NCc1ccco1 12236055 JPULFCYHEXRHMR-GFCCVEGCSA-N 373.456 0.931 0 40 FCAB COc1cc2oc(=O)c(CC(=O)N3CCNC(=O)C3)c(C)c2cc1OC 12899074 JTDDNUJESPAMAI-UHFFFAOYSA-N 360.366 0.620 0 40 FCAB biogenic CCOC(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 19680251 WNACQMGVSYUIGA-GFCCVEGCSA-N 361.441 0.671 0 40 FCAB COc1ccc([C@H](CNC(=O)c2ccc(O)nn2)N2CCOCC2)cc1 23642087 AAKSFUKUMWYPOA-INIZCTEOSA-N 358.398 0.994 0 40 FCAB Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)CC[C@H]1NC(=O)NC1=O 25385486 ILWJAXUSACUZQF-GXSJLCMTSA-N 351.334 0.993 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 29185243 BGZZLFXTKQDWBB-TXEJJXNPSA-N 372.491 0.135 0 40 FCAB C[C@]1(NC(=O)CN2CCN(c3ccccc3)CC2)CCS(=O)(=O)C1 57449675 CTUCYBZZBVSVSG-KRWDZBQOSA-N 351.472 0.502 0 40 FCAB Cc1nn(C)c2ncc(S(=O)(=O)N(C)CCN3CCOCC3)cc12 66103935 YRAFAVBWZKWBLB-UHFFFAOYSA-N 353.448 0.229 0 40 FCAB O=C(Cn1ncc2cccn2c1=O)Nc1ccc(N2CCOCC2)cc1 72346572 POIWKKLKRFDBBH-UHFFFAOYSA-N 353.382 0.971 0 40 FCAB CCCN(CC(=O)N(C)C)C(=O)COC1CN(C(=O)OC(C)(C)C)C1 75092878 DKJWCHSFPJDUJE-UHFFFAOYSA-N 357.451 0.949 0 40 FCAB CCOC(=O)Cc1csc(NC(=O)NC[C@H](O)c2cnn(C)c2)n1 84793516 AKJITALWXYUXLI-NSHDSACASA-N 353.404 0.837 0 40 FCAB Cn1ncc(I)c(I)c1=O 90505180 IYPWPMLVROBDLH-UHFFFAOYSA-N 361.908 0.990 0 40 FCAB NC(=O)Cc1nc(-c2nc(N3CCCC3)nc3c2CCCC3)n(CCO)n1 96153839 DTUIGMGNIDCUFP-UHFFFAOYSA-N 371.445 0.234 0 40 FCAB CN1C(=O)CO[C@@H](C(=O)NCCN2CCOCC2)[C@H]1c1ccc(F)cc1 96181764 DJYOOUDLTUOEQY-IAGOWNOFSA-N 365.405 0.172 0 40 FCAB O=S(=O)(C1CC1)N1CCO[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96226588 QXNORIPOZTYBQE-OAHLLOKOSA-N 356.423 0.779 0 40 FCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1N1C(=O)CCC1=O 224247938 VPXIZYCVZUHAQX-UHFFFAOYSA-N 354.384 0.370 0 40 FCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3CCC3)C2)C(=O)N1Cc1ccccc1 225381811 WAKIGZLFGFWQFF-SJORKVTESA-N 355.438 0.598 0 40 FCAB biogenic,in-vitro COc1cc(N2CC3(C2)OCC[C@@H]3COCC(=O)N2CCCC2)ncn1 247894661 OAUPVRREIKJOOO-CQSZACIVSA-N 362.430 0.720 0 40 FCAB CCn1nc(C(=O)N2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)cc1C 257250060 JKVRTTHPFXLAFU-LLVKDONJSA-N 351.432 0.968 0 40 FCAB Cc1c(C)[n+]([O-])c([C@H](c2cccnc2)C2C(=O)N(C)C(=O)N(C)C2=O)n1C 524735258 LZMMDTYZXDYLAN-CYBMUJFWSA-N 371.397 0.469 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](Cn2ccnn2)C(C)C)cc1C(N)=O 575617591 XQNMJKPWHUHEMF-ZDUSSCGKSA-N 367.431 0.389 0 40 FCAB C/C(=C\c1ccc(F)cc1)C(=O)NS(=O)(=O)CC[C@@H]1NC(=O)NC1=O 585086530 DBTWPQCXIHLOSO-BCPZQOPPSA-N 369.374 0.273 0 40 FCAB CN(C)C(=O)COC[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnc(F)c1 585108266 LDEIMDKUAWWMQW-AEGPPILISA-N 365.405 0.945 0 40 FCAB O=C(CN1CCC[C@](O)(COc2ccc(F)cc2)C1)N1CCOCC1 585272828 RJWRHKAFAKDYRC-GOSISDBHSA-N 352.406 0.890 0 40 FCAB N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1 585286277 WEUBXQNZGGOIHI-JENIJYKNSA-N 369.421 0.635 0 40 FCAB CCn1ccnc1CN1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 600506842 PFEBCCGEKKVJTC-UHFFFAOYSA-N 366.429 0.837 0 40 FCAB CC(C)C[C@@H](C(=O)O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 629485432 VOVYIYHPUKYPQD-HNNXBMFYSA-N 355.460 0.955 0 40 FCAB CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C(C)C)cn1 644171237 REHLFFWFMQLCHZ-CYBMUJFWSA-N 353.444 0.580 0 40 FCAB Cc1nnc2n1C[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)N(C)C2 644241172 IPTUNTIPRYFZEM-INIZCTEOSA-N 358.421 0.888 0 40 FCAB NC(=O)[C@@H]1CCCN1C1CCN(c2ccc3nnc(C(F)F)n3n2)CC1 678069703 PAFILNGFPFLALE-NSHDSACASA-N 365.388 0.980 0 40 FCAB Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2CCCc3nn[nH]c32)n1 1005586648 LEEMYGISSSNHMI-OXHZDVMGSA-N 369.429 0.818 0 40 FCAB O=C(c1cnco1)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@@H]2C1 1549161925 QRHNHYPXSSYXQO-AWEZNQCLSA-N 374.397 0.722 0 40 FCAB COc1cc(CN2CCO[C@@H](C(=O)N3CCOCC3)C2)cc(OC)c1 1889131794 DCEZGYDSQCIMKQ-QGZVFWFLSA-N 350.415 0.763 0 40 FCAB c1n[nH]cc1CN1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 2055795798 AIGSFBBSYDJWMN-GOSISDBHSA-N 356.430 0.710 0 40 FCAB Cc1ccc(Cn2c(SCC(N)=O)nc3c2c(=O)[nH]c(=O)n3C)cc1 845756 HSQSBMNHYMJPTN-UHFFFAOYSA-N 359.411 0.357 0 40 FCAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cnccn2)CC1 3449251 XBBLINZOVBXLHK-UHFFFAOYSA-N 362.411 0.759 0 40 FCAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)OC)c1C(=O)OC 4969600 ZCPYGIIMLYVKKG-UHFFFAOYSA-N 362.342 0.889 0 40 FCAB C[C@@H]1C[C@H]1C(=O)NCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12925867 ZEZJDJRNUDDCIZ-RHSMWYFYSA-N 372.469 0.978 0 40 FCAB C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024626 WCKBTDOWSCYDFM-JQCHIOMBSA-N 357.410 0.586 0 40 FCAB COc1cn2c(cc1=O)C(=O)N(CCNC(=O)/C=C/c1ccco1)CC2 16850480 UWRRKFOYRGASBD-SNAWJCMRSA-N 357.366 0.735 0 40 FCAB O=C1NC[C@]2(CCCN(C(=O)Cn3cccnc3=O)C2)Oc2ccccc21 19374778 KAXNSGRPUGXWAF-IBGZPJMESA-N 368.393 0.427 0 40 FCAB CCn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O 21822443 XHMQDZNZOASAIV-UHFFFAOYSA-N 372.425 0.175 0 40 FCAB COCCn1nc(C(=O)NC[C@H](CC(C)C)N2CCOCC2)ccc1=O 22970425 GZLIOYJLUSCBAR-HNNXBMFYSA-N 366.462 0.366 0 40 FCAB CN1C(=O)N(CC(=O)N[C@H](C(N)=O)c2ccccc2)C(=O)C12CCCCC2 54703413 XIXQENAWEUFATB-HNNXBMFYSA-N 372.425 0.926 0 40 FCAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1CC(=O)N[C@@H]1CCCCNC1=O 65474323 QFLOXNBPDFKYCC-VHDGCEQUSA-N 358.442 0.639 0 40 FCAB C[C@@H](Oc1ccccc1F)C(=O)NCCn1nc(-n2cncn2)ccc1=O 96025178 YJJPBEHWOWQXID-GFCCVEGCSA-N 372.360 0.547 0 40 FCAB CCN1C(=O)CCc2cc(S(=O)(=O)NCCC(=O)N(C)C)ccc21 252486630 HMYXXHVCCCNJIH-UHFFFAOYSA-N 353.444 0.742 0 40 FCAB O=c1[nH]c2ccc(S(=O)(=O)N3C[C@H]4CCCN4C[C@@H]3CCO)cc2[nH]1 257319792 VUASWMWRFAXEQU-NEPJUHHUSA-N 366.443 0.076 0 40 FCAB COc1ccccc1CN1C(=O)[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C1=O 409305477 NKZRHWXYTJYVJS-BKEDOTJMSA-N 357.362 0.877 0 40 FCAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)NCc2cnn(C)c2)C1 521396674 LMOCRFBUYHVZAW-UMVBOHGHSA-N 354.476 0.734 0 40 FCAB O=C(O)[C@@H]1Cn2c(O)nnc2CN1C(=O)Cc1ccc2c(c1)CCCO2 571284378 UHHUJLOQVWWMRM-LBPRGKRZSA-N 358.354 0.347 0 40 FCAB O=C(/C=C/CN1CCOCC1)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 585292129 YPXZHEKHAPTRMM-DHDVOEFHSA-N 361.442 0.747 0 40 FCAB CCC(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 622244182 JOBXRIVMAQKJQA-NSHDSACASA-N 350.394 0.488 0 40 FCAB O=C(Cn1cnc2c1CCNC21CCOCC1)N[C@H]1CCNC12CCCC2 1615552936 TURCUPZKZGOFFM-INIZCTEOSA-N 373.501 0.825 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(Cc5nnc(C)o5)C[C@@H]4C3)nn12 2086865215 WWZCTJNKPYEPRF-BETUJISGSA-N 354.418 0.946 0 40 FCAB Cn1c(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc(=O)n(C)c1=O 2298041252 NGWRNTQUGMVPKK-GFCCVEGCSA-N 370.400 0.558 0 40 FCAB C[C@H](O)CNc1nc2c(c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)n1C 1004776 WQNKDKCFJPATRF-JTQLQIEISA-N 361.377 0.414 0 40 FCAB Cc1nc2sc3c(c2c2nc(C(=O)NCCOCCO)nn12)CCC3 2340444 RNNTZYFTYSFFSG-UHFFFAOYSA-N 361.427 0.875 0 40 FCAB Nc1nonc1C(=O)NCCNC(=O)c1ccc(Br)cc1 2501686 GQLYNFNRTPTIHM-UHFFFAOYSA-N 354.164 0.574 0 40 FCAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1 4337948 HNVXJTMVAMYXJC-UHFFFAOYSA-N 363.399 0.568 0 40 FCAB COc1ccc(N2C[C@H](NC(=O)NCC(OC)OC)CC2=O)cc1OC 4479794 RUICDGFHAZYIAT-LLVKDONJSA-N 367.402 0.727 0 40 FCAB CCN(C(=O)Cn1cnc2sccc2c1=O)[C@@H]1CCS(=O)(=O)C1 5610112 VYMHOOICDNHNSA-SNVBAGLBSA-N 355.441 0.494 0 40 FCAB COCCN1C(=S)N(c2ccccc2OC)[C@@H]2CS(=O)(=O)C[C@H]21 9344559 KOLLFZPTBXSFKK-CHWSQXEVSA-N 356.469 0.914 0 40 FCAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccccc1 9449418 TZXZHHUSQWGISA-WFASDCNBSA-N 373.434 0.963 0 40 FCAB CCOC(=O)C1=C(COC(=O)CCc2c(C)noc2C)NC(=O)NC1 12974056 DMEJPQXYJDBBOG-UHFFFAOYSA-N 351.359 0.897 0 40 FCAB Cc1nn(-c2ccc(N3CCN(S(C)(=O)=O)CC3)nn2)c(C)c1C 13009355 QYJLYADAPVYKMI-UHFFFAOYSA-N 350.448 0.669 0 40 FCAB CCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N(C)C)ccc1OC 15322390 RTHVLVCTSXNYHY-UHFFFAOYSA-N 358.420 0.203 0 40 FCAB NC(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 25383860 JLHDFGPKOPRWQL-UHFFFAOYSA-N 358.442 0.556 0 40 FCAB O=C([C@H]1CCCO1)N1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1 32679034 QXOJGOUURDEDMG-LLVKDONJSA-N 361.229 0.831 0 40 FCAB CCONC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 32902775 GFQLZGMCPJUEFM-UHFFFAOYSA-N 357.432 0.515 0 40 FCAB C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1cccnc1 39996866 MLWSQGNKEOGITL-LBPRGKRZSA-N 364.427 0.922 0 40 FCAB Cc1ccn(CCNC(=O)C(=O)N[C@H]2C(=O)N(C(C)C)c3ccccc32)n1 44902983 RJFWLUGZTFRNNO-MRXNPFEDSA-N 369.425 0.920 0 40 FCAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)C1 48366489 PTRQFWZSSAVRCQ-HOTGVXAUSA-N 366.429 0.992 0 40 FCAB O=C(NCCc1ccccc1)[C@H](O)[C@@H](O)C(=O)NCCc1ccccc1 60220771 FUMNLSKJVNMPBV-QZTJIDSGSA-N 356.422 0.426 0 40 FCAB O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NCCN1CCOCC1 72293072 JBBBNUAUBOQTCM-VWLOTQADSA-N 368.455 0.404 0 40 FCAB O=C(CN1CCN(CCN2CCSCC2)CC1)NCc1ccccc1 75109072 GSMHZSAPQNJODD-UHFFFAOYSA-N 362.543 0.969 0 40 FCAB CN(C)CCOC[C@H]1CN(C(=O)C2CCOCC2)Cc2nnn(C)c21 96060692 PWHUAKTXCULFLJ-CQSZACIVSA-N 351.451 0.246 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cn1 97081395 JQAAKESPLMTXBB-CQSZACIVSA-N 352.416 0.976 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2ccccc2)C1 224382161 QTWPFLYRAHXOKM-CQSZACIVSA-N 355.460 0.700 0 40 FCAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3cscn3)CC[C@@H]2O)CC1 257297277 RGOWSUDHARQFDH-GJZGRUSLSA-N 352.460 0.273 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C)CC2)cc1OC 409388831 FOLARWBDTACZFM-GFCCVEGCSA-N 371.459 0.145 0 40 FCAB CNC(=O)C[C@]1(OC)COCCN(C(=O)c2ccc(COC)cc2)C1 585280725 ODIGRTWJJBPCDW-GOSISDBHSA-N 350.415 0.827 0 40 FCAB COCc1ccccc1CNC(=O)CN1C[C@@H](OC)[C@H](c2cnn[nH]2)C1 621318742 AWDZXOPFFSFETM-DOTOQJQBSA-N 359.430 0.682 0 40 FCAB CCc1nc(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)sc1C 626412234 ROVTWBADCDGLMV-JTQLQIEISA-N 362.477 0.796 0 40 FCAB CN1CCN(C(=O)Cc2cccc(NC(=O)[C@]3(C)CCNC3=O)c2)CC1 635640421 NAQTWEGZPYCOHL-LJQANCHMSA-N 358.442 0.468 0 40 FCAB Cc1nc(N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)nc(O)c1F 1888901027 KQNODXQLMUPDFK-GHMZBOCLSA-N 370.392 0.879 0 40 FCAB O=C([C@@H]1CN(Cc2nnc(C(F)(F)F)o2)CCO1)N1CCSCC1 1889110002 WDDNCZUWXBULHA-VIFPVBQESA-N 366.365 0.865 0 40 FCAB COc1cc(CN2CCO[C@@]3(COCC(=O)N(C)C3)C2)cc(OC)c1 2037984127 RGYMUGDRKKNTNR-GOSISDBHSA-N 350.415 0.763 0 40 FCAB Cc1ccc(-n2c(C)cn3c4c(=O)n(CC(N)=O)c(=O)n(C)c4nc23)cc1 4303890 KQOUFZWOYKLUIO-UHFFFAOYSA-N 366.381 0.241 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)CCNC(=O)c2ccccc2)CC1 4940882 OXIAPNTXGNWTRL-UHFFFAOYSA-N 369.443 0.520 0 40 FCAB C[C@@H]1CCc2c(sc3c2c(=O)n(CC(=O)O)c(=O)n3CCN(C)C)C1 6764217 RLOLUEBFYOTQCD-SNVBAGLBSA-N 365.455 0.996 0 40 FCAB CCc1[nH]c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c(C)c1C(=O)OC 11512427 CFTHLKAHPFEAIK-UHFFFAOYSA-N 363.370 0.427 0 40 FCAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC1CC1 11904203 GYXSFPGLEJQELG-UHFFFAOYSA-N 360.413 0.202 0 40 FCAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](CC(=O)NCCCc1ccccc1)C(=O)N2 12322745 IDMBLMXPBPFRJZ-CYBMUJFWSA-N 370.409 0.259 0 40 FCAB Cc1c(C(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)cnn1C 13297665 ASEZLQBKXTUMDG-UHFFFAOYSA-N 352.354 0.980 0 40 FCAB OC[C@@H]1O[C@H](CNC2CCOCC2)[C@H](N2CCc3ccccc3C2)[C@@H]1O 20465248 JEKOTUFLESIGIL-FUMNGEBKSA-N 362.470 0.303 0 40 FCAB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1cccc(C)c1 20801525 DYUHJOYMCBUMHL-JKSUJKDBSA-N 372.425 0.475 0 40 FCAB CN1N=C(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCC1=O 21632497 GRNKNCQOUYJHTI-UHFFFAOYSA-N 371.441 0.055 0 40 FCAB O=C(CCn1cncn1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 23749451 FFMQPWJBWQGPMB-UHFFFAOYSA-N 357.414 0.784 0 40 FCAB Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2CCCO)n1 32741717 OKTKQAPHCRFICR-UHFFFAOYSA-N 359.415 0.421 0 40 FCAB CCOC(=O)c1ccc(N2CCN(C(=O)Cn3ccccc3=O)CC2)nc1 36395423 GHRWKKQVCFQCAC-UHFFFAOYSA-N 370.409 0.769 0 40 FCAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N[C@H]1CSC[C@H]1O 36569329 GSEILHXZBLZUPS-YEXMUNATSA-N 354.409 0.908 0 40 FCAB Cc1nn(C)c2ncc(NC(=O)CCn3cnc4c(cnn4C)c3=O)cc12 48237602 ZOTJFHMSLOYLAX-UHFFFAOYSA-N 366.385 0.749 0 40 FCAB COc1ccc2c(c1)N(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)C(=O)C2=O 58162433 AQROQEISWKNGAE-GFCCVEGCSA-N 364.423 0.834 0 40 FCAB Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](O)c2ccccc2)cn1C 58344240 XITYZMUDKNOZRU-AWEZNQCLSA-N 366.443 0.247 0 40 FCAB COC(=O)C1(NC(=O)COC(=O)c2cc[n+]([O-])cc2)CCC(C)CC1 60724640 TTWSOLCUSCJYDT-UHFFFAOYSA-N 350.371 0.715 0 40 FCAB Cc1cc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 71285174 RRWHGQOEOMMRNL-YUSALJHKSA-N 355.416 0.846 0 40 FCAB COCCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 79493225 UJMHXGMQXGVEBF-LBPRGKRZSA-N 364.423 0.565 0 40 FCAB C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(S(N)(=O)=O)CC1 95445062 OXJDPXLOTFOSOL-LLVKDONJSA-N 357.501 0.774 0 40 FCAB CCC(CC)[C@H](CNC(=O)c1cccn2c(=O)[nH]nc12)N1CCOCC1 95457375 WSHHLGSMYZGCLU-HNNXBMFYSA-N 361.446 0.889 0 40 FCAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCCCN2CCOCC2)c2ccccc21 95481164 BZGKPUPFLICBFD-INIZCTEOSA-N 374.441 0.049 0 40 FCAB CC(=O)N1C[C@@H](C(=O)O)CN2CCN(C(=O)c3cccs3)C[C@@H]2C1 96184950 XPJPWFLJJDVLJE-QWHCGFSZSA-N 351.428 0.437 0 40 FCAB O=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(C(=O)c3ccccn3)C2)C1 96225647 OVEQUQFZMXMVOW-SCLBCKFNSA-N 358.398 0.738 0 40 FCAB CN1C(=O)CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2O)C1=O 96517643 MRXXDHMXEXNSDF-UHFFFAOYSA-N 353.400 0.965 0 40 FCAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(c2ncccn2)CC1 103050450 HEQLVHWFJAIBNZ-OKILXGFUSA-N 355.398 0.076 0 40 FCAB Cc1cccnc1C(=O)N1CCOC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257284193 PBQFGGIANJNAKS-LLVKDONJSA-N 350.400 0.730 0 40 FCAB O=C(O)CCC(=O)NCC1(O)CCN(c2ccnc3ccncc23)CC1 257312243 UMZKQEAYHQTBJD-UHFFFAOYSA-N 358.398 0.942 0 40 FCAB CC(C)Oc1cccc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)n1 330445667 HDAAXKMRPBQSPQ-GFCCVEGCSA-N 356.448 0.514 0 40 FCAB CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 333408275 GURSYBRWZCVOFE-UHFFFAOYSA-N 352.416 0.077 0 40 FCAB CO[C@H]1CN(C(=O)/C=C/CN2CCOCC2)C[C@@H]1CC(=O)N1CCCC1 585292100 XGESOBKPOFWHLZ-XLYSIVADSA-N 365.474 0.361 0 40 FCAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)c1csnn1)C2 1565553734 CRHBCSIAWCUJDO-INIZCTEOSA-N 358.427 0.496 0 40 FCAB Cn1cncc1CN1C[C@@H](C(=O)NCc2ccon2)C2(CCOCC2)C1 1615102574 XGHSZBLUNNLDQR-INIZCTEOSA-N 359.430 0.953 0 40 FCAB COCCN1C(=O)[C@H]2CN(C(=O)c3ccncc3)CCN2C12CCOCC2 1772595250 GDXJGGHMGMOXLR-MRXNPFEDSA-N 374.441 0.203 0 40 FCAB COCCNC(=O)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N 2639237 TWNZQZWJPHYRMM-UHFFFAOYSA-N 364.431 0.532 0 40 FCAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 8751307 BRPFPXQPHKTJOL-DTWKUNHWSA-N 361.445 0.342 0 40 FCAB COc1cc(CCC(=O)NCCn2nnn(-c3ccccc3)c2=O)on1 12145997 DPWPHJDMCAWRLO-UHFFFAOYSA-N 358.358 0.175 0 40 FCAB CC(C)(C)NC(=O)NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 13141771 FESUHJKVCNOWSA-QWRGUYRKSA-N 367.402 0.329 0 40 FCAB O=C(COc1cccnc1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13266225 PQXIZURXNJCJGW-UHFFFAOYSA-N 364.365 0.998 0 40 FCAB NC(=O)NC(=O)CCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 21333003 MAHUXADCKBADOP-LBPRGKRZSA-N 373.413 0.489 0 40 FCAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Cn1ccc(=O)n(C)c1=O 30895165 KFGUHTNZHZRTRA-UHFFFAOYSA-N 370.409 0.098 0 40 FCAB NC(=O)CSc1nnc(Cn2cnc3sc4c(c3c2=O)CCC4)o1 32074710 CADFDDOGBCWFHV-UHFFFAOYSA-N 363.424 0.955 0 40 FCAB C[C@H]1CN(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)C[C@@H](C)O1 40086127 QYQOIGLHMPBYLI-GASCZTMLSA-N 354.476 0.553 0 40 FCAB CCCCn1nc(C(=O)N2CCC(NS(C)(=O)=O)CC2)ccc1=O 48276401 CZSMCNYETOFGAJ-UHFFFAOYSA-N 356.448 0.197 0 40 FCAB NC(=O)[C@@H]1CN(Cn2nc(-c3cccnc3)n(C3CC3)c2=S)CCO1 50926530 YTJWQJVROQATTR-ZDUSSCGKSA-N 360.443 0.955 0 40 FCAB O=C1N(C2CCOCC2)C[C@H]2CN(S(=O)(=O)c3ccccc3)CCN12 85436103 BAEJAHRZPYEBJB-OAHLLOKOSA-N 365.455 0.976 0 40 FCAB biogenic,in-vitro COC(C)(C)C(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95998313 DOCXQYUKVCBKDL-OAHLLOKOSA-N 363.462 0.485 0 40 FCAB CCS(=O)(=O)N1CCc2nc(N3CCOCC3)nc(NC3CC3)c2C1 96254155 APWKUVTZHJSNIP-UHFFFAOYSA-N 367.475 0.595 0 40 FCAB CCOC(=O)N1CCC(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CC1 101259575 LAQBVXSPDDEIAL-APNQJHFZSA-N 350.371 0.474 0 40 FCAB O=C(NCCNc1c(NCc2ccncc2)c(=O)c1=O)c1ccncc1 101695259 WFCIHDQSPZYFLG-UHFFFAOYSA-N 351.366 0.527 0 40 FCAB CS(=O)(=O)c1ccc(CCC(=O)N2CC(N3C(=O)CCC3=O)C2)cc1 238829528 FOSBFMKLFDESPG-UHFFFAOYSA-N 364.423 0.383 0 40 FCAB Cc1ccc(C(=O)N2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)o1 247876336 AEWKEXSKNXMAPJ-CYBMUJFWSA-N 352.416 0.921 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)CCOc2cccc(F)c2)CCN1C(C)=O 257205528 AZMDYWNHJRIDRI-OAHLLOKOSA-N 351.378 0.400 0 40 FCAB CNC(=O)c1cnn2c([C@H]3CCCCN3S(=O)(=O)N(C)C)ccnc12 257321768 WDDYEGBGYUIMOM-GFCCVEGCSA-N 366.447 0.422 0 40 FCAB CC(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)O 274958026 HGRYEQCWRFYTPG-LLVKDONJSA-N 355.416 0.512 0 40 FCAB CCS(=O)(=O)NC[C@@H]1CN(Cc2cccnc2OC)Cc2cncn21 306123070 ADVURTIVLJYKLB-OAHLLOKOSA-N 365.459 0.783 0 40 FCAB CN(C)c1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccnn4C)[C@H]3C2)ncn1 306140478 UUOCRAXDNVITMP-UMVBOHGHSA-N 371.445 0.157 0 40 FCAB CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)c2csnn2)n1 505969145 BZAWXLCQNZJGOF-UWVGGRQHSA-N 351.411 0.741 0 40 FCAB O=C1CCCN1CC(=O)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 585277036 JKSWOSQPKXNOPJ-GOSISDBHSA-N 350.390 0.581 0 40 FCAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CC[C@@H](NC(C)=O)C1 622724575 HCXUTWMXDMZMLA-SNVBAGLBSA-N 364.793 0.675 0 40 FCAB Cc1c([C@@H]2[C@@H](CNC(=O)c3ccnc4ccnn34)CC(=O)N2C)cnn1C 1615592828 VKEFYPAYRGEMKI-PXAZEXFGSA-N 367.413 0.721 0 40 FCAB CN(C1=NS(=O)(=O)c2ccccc21)[C@@H]1CCN(CCn2nccn2)C1 1888876165 VCKRVFJLWXETOJ-CYBMUJFWSA-N 360.443 0.433 0 40 FCAB CC(=O)[C@H](C)n1c(CN2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C 4149318 MQKAQMACPRDHFY-RYUDHWBXSA-N 361.446 0.958 0 40 FCAB CC[C@H](C)NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 4495239 FBCQAKKELVVXGC-NSHDSACASA-N 367.427 0.573 0 40 FCAB O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCc2ccccc2C1 16379000 OAVFFVKVPIHVPL-SFHVURJKSA-N 357.454 0.895 0 40 FCAB O=C(NCC(=O)N1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccon1 23127879 CJHMGDUAWGXBAD-CYBMUJFWSA-N 358.354 0.329 0 40 FCAB COC[C@@](C)(CC(=O)OC)NC(=O)Nc1ccnc(C(=O)N(C)C)c1 79110636 YXLXWPSPCZEDSG-MRXNPFEDSA-N 352.391 0.873 0 40 FCAB COCCN1CCN(C(=O)CCCn2nnc(-c3ccccc3)n2)CC1=O 95454268 YTJPPDFYNGTFSL-UHFFFAOYSA-N 372.429 0.438 0 40 FCAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCN(S(=O)(=O)C3CC3)C2)C1 96226053 RIVRKOXJZWNOIL-HNNXBMFYSA-N 350.400 0.733 0 40 FCAB COc1cccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@H](O)[C@H]2NC(C)=O)c1 245266636 KKDNZDNZSHFBCX-OVYGPGRDSA-N 367.398 0.816 0 40 FCAB O=C1CN([C@@H]2CC[C@@H](NC(=O)c3ccc4ncccc4c3)[C@H]2O)CCN1 257251134 JPNLVFZYYSULBQ-JFIYKMOQSA-N 354.410 0.288 0 40 FCAB CCN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NCCOC)c2)CC1 408616978 BWUIIJPBCNDWQJ-UHFFFAOYSA-N 369.487 0.697 0 40 FCAB COCCNC(=O)[C@@H]1COC2(CN(C(=O)C3CCC3)C2)CN1CC1CC1 575405927 VBYRRKJIRWUKKM-INIZCTEOSA-N 365.474 0.241 0 40 FCAB CCn1ncc(Cl)c1C(=O)N1CCOC[C@](CC(=O)NC)(OC)C1 585280983 RCCCYSXAUJNRGZ-OAHLLOKOSA-N 358.826 0.550 0 40 FCAB COc1cc(C(=O)N2CCO[C@H](CN(CC(=O)O)C(C)=O)C2)ccc1F 648439244 IRRIOQOFGCIHGV-ZDUSSCGKSA-N 368.361 0.608 0 40 FCAB O=C(O)CC1(N2CCOC[C@]3(C[C@H](Cn4cnnc4)CO3)C2)CCC1 1565547726 RUMMNJLETCKPSX-PBHICJAKSA-N 350.419 0.783 0 40 FCAB O=C(c1ccncc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1461794 YBHVFENLPWNKLW-UHFFFAOYSA-N 356.407 0.989 0 40 FCAB CN(C(=O)COC(=O)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 4195179 PRKPTIKXTZOQSG-LLVKDONJSA-N 355.368 0.218 0 40 FCAB O=C(CSc1nnc(CNC(=O)c2ccco2)o1)NC[C@H]1CCCO1 4265776 WRRHPOWHQMQMCM-SNVBAGLBSA-N 366.399 0.980 0 40 FCAB COc1ccc(O[C@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@H](O)[C@H]2NC(C)=O)cc1 4275862 HIJHNNAKJPQRND-MTSZKFMLSA-N 367.398 0.816 0 40 FCAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(OC)c1 4505387 XKCIRJZKEGNEQW-NSHDSACASA-N 363.457 0.902 0 40 FCAB COC(=O)C1=NN(CCC(C)=O)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 5022776 QJLIZBFWQTUGDK-HIFRSBDPSA-N 357.366 0.677 0 40 FCAB Cc1ccc(Nc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1 5393017 NCYHIILDKSQWGE-VYHVBIQSSA-N 357.370 0.490 0 40 FCAB Cc1cnc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cn1 6111619 CUHXXWPHADIJEU-ZDUSSCGKSA-N 369.443 0.614 0 40 FCAB CCOc1ccc(OC[C@@H]2Cn3c(nc4c(=O)n(C)c(=O)n(C)c43)O2)cc1 13016089 CSMNTOQFWYBYPS-ZDUSSCGKSA-N 372.381 0.672 0 40 FCAB COC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 14674133 LUVMEDPDJJUVKK-NSHDSACASA-N 357.384 0.426 0 40 FCAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(S(=O)(=O)c2cccnc2)CC1 33091011 JIPHNOBBYFNOPL-UHFFFAOYSA-N 361.427 0.829 0 40 FCAB CN(Cc1ncc(CC(=O)O)c(=O)[nH]1)S(=O)(=O)c1ccc(F)cc1 49468662 GIUQKEUCKQYFJP-UHFFFAOYSA-N 355.347 0.357 0 40 FCAB CCc1ccccc1N1C[C@H](C(=O)N2CCS(=O)(=O)CC2)CC1=O 57888719 WQXRHZCXWLCWAA-CQSZACIVSA-N 350.440 0.859 0 40 FCAB CCN1CCN(S(=O)(=O)c2cncc(Br)c2NN)CC1 72210924 PTTCAFCBYUYLQG-UHFFFAOYSA-N 364.269 0.456 0 40 FCAB CS(=O)(=O)CCn1ccc(NC(=O)Cn2c(=O)oc3ccccc32)n1 78028696 UQGFRKPMIPEEMS-UHFFFAOYSA-N 364.383 0.474 0 40 FCAB Cc1ccc(NC(=O)C2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)nc1 95365089 KWNPSJIMFJTFAZ-UONOGXRCSA-N 353.444 0.198 0 40 FCAB Cc1cccc(C(=O)N2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)n1 257237845 HILFDOLMVAIHGO-HOCLYGCPSA-N 353.444 0.391 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@](O)(CN2CCc3ccccc3C2)CC1 257339288 ZBBULVAUKXYRNH-HXUWFJFHSA-N 359.470 0.924 0 40 FCAB O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(C1)CN(C1CCOCC1)C2 514289536 NSDYYZGZMKOPFE-QZTJIDSGSA-N 372.469 0.206 0 40 FCAB biogenic,in-vitro CS(=O)(=O)N1CCC(C(=O)NC[C@@H](c2ccco2)n2cccn2)CC1 575614607 YPHPZUWUPDAFSX-AWEZNQCLSA-N 366.443 0.853 0 40 FCAB CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccccc2)CC1 575616668 XBMYVTKIQDFRMP-UHFFFAOYSA-N 361.489 0.483 0 40 FCAB O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CN2CCOCC2)C1 585286254 YEXNCMOFZANLFI-DOTOQJQBSA-N 354.834 0.610 0 40 FCAB O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H](c1cccc(F)c1)N1CCOCC1 607906252 OVWMTUZOKJBOPZ-JKSUJKDBSA-N 370.446 0.892 0 40 FCAB Cc1cc(CN2CCN(C(=O)[C@@H](C)n3cnc4c(N)ncnc43)CC2)on1 665759308 CCQOMDOFIPBBOU-GFCCVEGCSA-N 370.417 0.610 0 40 FCAB CCc1nc(N2C[C@H]3CN(C(=O)c4ccn(C)n4)C[C@@H]3C2)nc(O)c1F 1888864044 YSLYBUFPQYACSJ-GHMZBOCLSA-N 360.393 0.826 0 40 FCAB Cc1nc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)nc(O)c1F 1888869942 QVCASDAAEWFYSK-UHFFFAOYSA-N 356.361 0.964 0 40 FCAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](CCC(=O)O)C(=O)O)ccc12 2106054 CXMTYIZEYXNGAC-GFCCVEGCSA-N 363.322 0.914 0 40 FCAB biogenic O=C(NCCOCCO)c1nc2c3c4c(sc3ncn2n1)CCCC4 2205074 BBXKODOHEXIFDN-UHFFFAOYSA-N 361.427 0.957 0 40 FCAB COc1ccc(NC(=O)C[C@H](NCCOCCO)C(=O)O)c(OC)c1 4939701 PICWVHBKNKPZDV-ZDUSSCGKSA-N 356.375 0.084 0 40 FCAB O=C(NCCCO)C(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21 9304566 HEERELURKLRPHX-QGZVFWFLSA-N 367.405 0.889 0 40 FCAB Cn1c(COC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc(=O)n(C)c1=O 9338245 AMUICNLDEAYXCL-UHFFFAOYSA-N 358.329 0.970 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 10374645 RDFDQTIXFWGWSB-UHFFFAOYSA-N 365.459 0.907 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)[C@@H]2CC=CCC2)cc1 10850730 VMKFQTNEMYECGG-CYBMUJFWSA-N 352.412 0.850 0 40 FCAB O=C(O)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 13029854 ATHSBYSVUHZDKA-JTQLQIEISA-N 351.377 0.088 0 40 FCAB COCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 16024561 RZAJZQDWKRVDQO-PRKYJLDLSA-N 357.410 0.690 0 40 FCAB COc1ccccc1N1C(=O)C[C@H](SC[C@H](NC(C)=O)C(=O)O)C1=O 16899799 TTWJCUDIYITGDK-GWCFXTLKSA-N 366.395 0.650 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(C)C(=O)[C@@H](Cc2ccccn2)C1 19696809 DRNLGVATDPSQRW-AWEZNQCLSA-N 354.476 0.601 0 40 FCAB CN(C)C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)N(C)C)c1)c1ccccc1 19750950 ZIMPUCDUYABWJF-QGZVFWFLSA-N 370.453 0.969 0 40 FCAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1)Nc1ccc(F)cc1F 20465036 LZHWPYAQCCXRTM-FXUDXRNXSA-N 371.384 0.671 0 40 FCAB biogenic,in-vitro COCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566915 VPIWAWDBIRRSNV-XMDUPGNXSA-N 357.410 0.709 0 40 FCAB COC(=O)[C@H](CCSC)NC(=O)c1cc(F)ccc1-n1cnnn1 20733229 VORFDNQPOHECLV-NSHDSACASA-N 353.379 0.826 0 40 FCAB COCCCNC(=O)CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1 48341503 RNTWIYRLTWDPFT-UHFFFAOYSA-N 359.430 0.473 0 40 FCAB CCNC(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)n2cccn2)CC1 58193967 SNKRSGKRPFIFPP-GOSISDBHSA-N 355.442 0.753 0 40 FCAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nncs1 71333376 PYYDKRPVENCUID-LLVKDONJSA-N 361.431 0.792 0 40 FCAB C[C@@H]1C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCO1 95455535 BBZQYMFVCLEKJB-OLZOCXBDSA-N 362.473 0.452 0 40 FCAB COCCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccn2)cc1 95944813 PJLMVHLWGJMIRU-UHFFFAOYSA-N 371.440 0.807 0 40 FCAB O=S(=O)([C@@H]1CCCN(c2ccnc(C3CC3)n2)C1)N1CCOCC1 95999616 IBDSEGZVPADURS-CQSZACIVSA-N 352.460 0.985 0 40 FCAB O=C1CN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CCN1 95999833 RLVJNDBMGVPVCC-AWEZNQCLSA-N 351.428 0.053 0 40 FCAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(-n2cnnn2)cc1 100466529 AJYYSEPBIVWQCI-KUDNYVPYSA-N 366.381 0.632 0 40 FCAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1nnc2ccccn12 103279854 XLBXQQFZOXRQRY-BETUJISGSA-N 353.382 0.687 0 40 FCAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 145580991 NXLFJABFUHBQKD-MWDDYTRKSA-N 354.362 0.975 0 40 FCAB CS(=O)(=O)NCCNC(=O)c1nccnc1Sc1ccccc1 541430621 NOCNFHUHIOTDIU-UHFFFAOYSA-N 352.441 0.907 0 40 FCAB Cc1ncn(CC(=O)N2CC[C@@H](Oc3ncc(Cl)cn3)C2)c(=O)c1C 575608473 YOAHQMOZJGHJNS-CYBMUJFWSA-N 363.805 0.983 0 40 FCAB CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(c2nccc3occc23)CCO1 662891921 VSLGVXWOIOEAEB-NSHDSACASA-N 369.399 0.379 0 40 FCAB COc1ccc(CC(=O)N2CCO[C@H](CN(CC(=O)O)C(C)=O)C2)cc1 681942419 AEAZYNOQJXAUBZ-INIZCTEOSA-N 364.398 0.398 0 40 FCAB O=C(c1ns[nH]c1=O)N1CC(O)(c2cccc(Br)c2)C1 1648660189 CBSOTDFDWKLMHR-UHFFFAOYSA-N 356.201 0.938 0 40 FCAB CCn1ncc(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@H]23)c1C 2747766 FIUJGVUMNGDCKC-QMTHXVAHSA-N 350.400 0.584 0 40 FCAB biogenic,in-vitro CN(C)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 3371645 DGHJGHHMFUNGGL-UHFFFAOYSA-N 362.835 0.828 0 40 FCAB O[C@H](COc1ccc(OC[C@@H](O)Cn2ccnc2)cc1)Cn1ccnc1 3902343 BFNAQQMZMYIXFT-HOTGVXAUSA-N 358.398 0.959 0 40 FCAB CN(C)S(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccccc1 4938198 XHIBSFBQJSUHBR-UHFFFAOYSA-N 365.459 0.702 0 40 FCAB C[C@H](N)C(=O)NC[C@H](CC(=O)N[C@@H](C)C(=O)O)c1ccc(Cl)cc1 8764405 BLLKFLFCKNBXOL-NHCYSSNCSA-N 355.822 0.866 0 40 FCAB biogenic COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCC(N)=O 8971924 RLSOOHMIEVDRGX-SNVBAGLBSA-N 358.354 0.425 0 40 FCAB Cc1cc(C)c(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(=O)[nH]1 10457793 HGXQWCAMMRKAHC-UHFFFAOYSA-N 360.414 0.863 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)NCC1(c3ccccc3)CC1)c(=O)n2C 11749834 MMENDHQTJTZDRP-UHFFFAOYSA-N 367.409 0.282 0 40 FCAB Cn1c(=O)n(CCCO)c(=O)c2c1nc1n2CCN1c1ccc(F)cc1 12647593 KKSZOTIFDXTTGE-UHFFFAOYSA-N 359.361 0.570 0 40 FCAB CC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 14378909 OPWLNHUGHNMYIG-UHFFFAOYSA-N 355.354 0.275 0 40 FCAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CN3CC(=O)NC3=O)CC1)O2 19218196 YSZSYUSDIKJPCF-UHFFFAOYSA-N 371.393 0.873 0 40 FCAB O=C1CN(S(=O)(=O)c2cccc(C(=O)N3CCCCCC3)c2)CCN1 24865553 BDBWXQBXCOLLOF-UHFFFAOYSA-N 365.455 0.823 0 40 FCAB O=C(CCN1CCN(S(=O)(=O)N2CCCC2)CC1)Nc1ccccc1 26129401 IJYLKTTYGNUVQF-UHFFFAOYSA-N 366.487 0.973 0 40 FCAB COc1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc(OC)c1OC 39583848 NTZJETZFCFHCNZ-UHFFFAOYSA-N 351.359 0.981 0 40 FCAB COC(=O)N1CCC(CNC(=O)C(=O)NCc2ccccc2OC)CC1 43941841 CEQMPBFDHQTWPG-UHFFFAOYSA-N 363.414 0.906 0 40 FCAB O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N[C@H]1CCS(=O)(=O)C1 49382906 VYMXVFZKXJZUDL-JTQLQIEISA-N 373.381 0.510 0 40 FCAB CCN1CCN2c3c(F)cccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 57122073 LMAWODZKGZWONA-AWEZNQCLSA-N 374.416 0.929 0 40 FCAB COc1cccc(CCCNC(=O)N2CCN(S(C)(=O)=O)CC2)c1 67423278 INWBDSZBXZEWKT-UHFFFAOYSA-N 355.460 0.915 0 40 FCAB COc1cccc(CO[C@@H](C)C(=O)NCCN2CCS(=O)(=O)CC2)c1 69847978 IIPNPXZIXBXYOY-AWEZNQCLSA-N 370.471 0.447 0 40 FCAB COc1ccc(C(=O)N[C@H]2CCCNC2=O)cc1S(=O)(=O)NC1CC1 70007550 KVARVUFEZJETJU-LBPRGKRZSA-N 367.427 0.144 0 40 FCAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2cccnc2)N(C)S(=O)(=O)N1 72335137 CDUGGOMFEOMSAJ-UONOGXRCSA-N 364.431 0.342 0 40 FCAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@H](C(N)=O)C2)C1=O 75568200 SOXQHXDWRQTPFH-KPZWWZAWSA-N 358.398 0.178 0 40 FCAB COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccncc1 100155587 QILMMMJMDIETOE-ZDUSSCGKSA-N 374.349 0.411 0 40 FCAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220728060 RMTFYUSEPDFMFE-LBPRGKRZSA-N 373.413 0.668 0 40 FCAB O=C1COC(=O)N1[C@@H]1CCN(S(=O)(=O)CCCOc2ccccc2)C1 225704120 MUIUUDVAEFFDJD-CYBMUJFWSA-N 368.411 0.838 0 40 FCAB COc1ncccc1C(=O)N1CC2(C1)OCC[C@@H]2CCNS(C)(=O)=O 247826224 FXDHSQIERHUWMY-LBPRGKRZSA-N 369.443 0.261 0 40 FCAB COc1ccn2c(C(=O)N[C@@H]3CCC(=O)N[C@@H]3[C@H]3CCCO3)cnc2c1 563617966 LQVVKMZGSSWECD-MRRJBJDNSA-N 358.398 0.899 0 40 FCAB COc1ccc(S(=O)(=O)NCCN[C@]2(C)CCS(=O)(=O)C2)cc1 575426427 SVEJPBNPTQWPQX-CQSZACIVSA-N 362.473 0.140 0 40 FCAB Cn1ccc(CC(=O)N2C[C@H]3CCN(Cc4cccnc4)C(=O)[C@@H]3C2)n1 585107825 GHOXXIFGYMWIPF-NVXWUHKLSA-N 353.426 0.865 0 40 FCAB Cc1ccn(CCC(=O)N2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)n1 585182043 WTBBDLVUIQESSS-LBPRGKRZSA-N 351.432 0.724 0 40 FCAB O=C(CN1CCO[C@@](CO)(Cc2cccc(F)c2)C1)N1CCOCC1 585276738 IBNKIRYGTZNWCB-SFHVURJKSA-N 352.406 0.290 0 40 FCAB O=C(O)[C@H](CNC(=O)[C@H]1COCCO1)Oc1ccc(Br)cc1 649255187 NJBITGGRESUKQF-NWDGAFQWSA-N 374.187 0.813 0 40 FCAB CN(C)CCN1CCO[C@H]2CCN(C(=O)CCc3cncnc3)CC[C@H]21 1565546604 AVPUSONDIHUHPA-MSOLQXFVSA-N 361.490 0.663 0 40 FCAB CC(C)n1cnc(S(=O)(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)c1 1656708404 BMBGJRLMMNFXQU-UHFFFAOYSA-N 351.392 0.016 0 40 FCAB C[C@H]1OC2(C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2nccn2C)CN(C)C1=O 1888866856 JRAJOVKERGCVJV-ABUXHAGHSA-N 368.459 0.352 0 40 FCAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)nn1C 1888879376 IPMPXQHULRWMKW-STQMWFEESA-N 366.429 0.614 0 40 FCAB CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)O)c(=O)[nH]c1=O 2650198 GGPFYSDUCBLMFK-UHFFFAOYSA-N 354.407 0.773 0 40 FCAB CN1C(=O)NC2(CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)C1=O 8769262 YBYGGSURNRLKRO-UHFFFAOYSA-N 374.397 0.048 0 40 FCAB Cn1ccnc1N1CCN(CC(=O)NCc2ccc3c(c2)OCO3)CC1 13694360 TVZUJJASZCKFFQ-UHFFFAOYSA-N 357.414 0.587 0 40 FCAB COc1ccc(Cl)cc1NC(=O)CN1CCN(S(C)(=O)=O)CC1 14217642 RMXCKYZVPMCTHT-UHFFFAOYSA-N 361.851 0.864 0 40 FCAB CN1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 19930665 OXMKKPVSLCXELW-UHFFFAOYSA-N 351.472 0.834 0 40 FCAB Cn1c(=O)c2nc(SCC(=O)O)n(Cc3ccccc3)c2n(C)c1=O 33274151 KGPRSCOLHMGIFY-UHFFFAOYSA-N 360.395 0.659 0 40 FCAB C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)NC1CCCC1 58202936 BPIQPBIKGVSYBK-CYBMUJFWSA-N 367.471 0.919 0 40 FCAB Cc1cc(C)nc(CNC(=O)Cn2nnnc2CN2C[C@H](C)O[C@H](C)C2)n1 95497336 HWBMVFHSBFCGDX-OKILXGFUSA-N 374.449 0.006 0 40 FCAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NC4CCN(C)CC4)O[C@H]3C2)nn1 96041027 ROEHKMDTYWDOBN-XIRDDKMYSA-N 359.474 0.979 0 40 FCAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C(N)=O)n(C)c1 97013950 QIBHNINWQCHETO-JTQLQIEISA-N 352.420 0.091 0 40 FCAB COc1cc([C@H]2N=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)ccc1O 104279751 PTAABUZLYQYRMB-INIZCTEOSA-N 371.397 0.927 0 40 FCAB Cn1cc(CN2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)cn1 106802596 MMBCPIDEEBJNFH-UHFFFAOYSA-N 356.430 0.717 0 40 FCAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)s1 223212010 DTTXKPBJEAZRCI-UHFFFAOYSA-N 355.401 0.786 0 40 FCAB COC[C@@H]1CN(C(C)=O)CC12CCN(C(=O)CCS(C)(=O)=O)CC2 247971519 YPIWWZALNHXGLD-AWEZNQCLSA-N 360.476 0.155 0 40 FCAB Cc1ncoc1C(=O)N1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1 248043001 PLEMMFOPODJQNT-LLVKDONJSA-N 353.404 0.001 0 40 FCAB Cc1cc(C)n2ncc(CN3C[C@@H](O)[C@H](NC(=O)c4c[nH]cn4)C3)c2n1 257262755 LMTKZTRVQZTANJ-HUUCEWRRSA-N 355.402 0.044 0 40 FCAB COc1cc(N2Cc3cncn3[C@H](C(=O)NCc3cccnc3)C2)ncn1 306130573 JJXGSQBZQAHXMY-HNNXBMFYSA-N 365.397 0.954 0 40 FCAB CN1CCO[C@@H]([C@@H](NC(=O)CS(C)(=O)=O)c2ccc(Cl)cc2)C1 330587647 TUOGBQNLULTRJP-HIFRSBDPSA-N 360.863 0.873 0 40 FCAB COc1ccc(/C=C/C(=O)N(C)C[C@@H]2COC[C@@H](O)[C@H]2O)cc1OC 643586305 WZOIVEDCXRMCGZ-HIDZTFFISA-N 351.399 0.544 0 40 FCAB NCCn1cc(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)nn1 662822559 KNPLMTAQIOMMGX-LLVKDONJSA-N 370.335 0.944 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cn2ncc3ccccc32)CCO1 681943333 LMJGLAIEQQJQNO-HNNXBMFYSA-N 374.397 0.197 0 40 FCAB Cn1cc(N2CCC(Nc3ncnc4c3CCC4)CC2)c(=O)n(C)c1=O 1889077993 AXSYNZCHWPJTOJ-UHFFFAOYSA-N 356.430 0.444 0 40 FCAB CN(C(=O)c1cc2ccc(F)cc2[nH]1)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O 2037792055 YSKGUVMNKCPLCN-JFIYKMOQSA-N 374.416 0.703 0 40 FCAB CCn1cc(C(=O)N2CCO[C@]3(COCC(=O)N(C(C)C)C3)C2)cn1 2037985007 UTSPLECPLJMXHT-QGZVFWFLSA-N 350.419 0.381 0 40 FCAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(Cc3cn[nH]c3)CC2)[nH]1 2055713453 RJKJRCYSCNSKIV-UHFFFAOYSA-N 354.418 0.392 0 40 FCAB COCCC(=O)N1CCC(C(=O)N=c2ccn(C)[nH]2)(n2ccnc2)CC1 2055713800 MGXIYUBQXZLUAY-UHFFFAOYSA-N 360.418 0.031 0 40 FCAB Cc1cccc(NC(=O)CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1 924611 YGWWJUYKCFBSDZ-UHFFFAOYSA-N 359.411 1.000 0 40 FCAB CCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1 1238733 RPKKOHOQFPYWFA-SECBINFHSA-N 363.757 0.974 0 40 FCAB O=C(O)CC[P@@](=O)(O)CC[C@@H](NC(=O)Cc1ccccc1)C(=O)O 2139801 GMZDCTWASVFHEO-GFCCVEGCSA-N 357.299 0.934 0 40 FCAB biogenic C[C@H]1CCCCN1C(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 3295608 ALQUKSMDYLRSHZ-LBPRGKRZSA-N 359.382 0.634 0 40 FCAB CSCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 8380701 JHECXOSGKFOBPG-UHFFFAOYSA-N 372.468 0.654 0 40 FCAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 8883600 OTINLODGAFEOCK-CQSZACIVSA-N 351.428 0.813 0 40 FCAB O[C@H]1[C@H](NCc2cnc3ccccc3c2)[C@H]2CO[C@H](O2)[C@@H]1N1CCOCC1 12483987 BOMGHVJKULNWEW-LTFPLMDUSA-N 371.437 0.510 0 40 FCAB biogenic,in-vitro Cc1cc(C)n2c(CNC(=O)c3nn(C)c(=O)c4ccccc34)nnc2n1 12775043 UESLPHCSCWWNFD-UHFFFAOYSA-N 363.381 0.918 0 40 FCAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCCN1CCCC1 13668445 SJXVZSVOPVWTOH-UHFFFAOYSA-N 351.428 0.433 0 40 FCAB Cc1ccc(C(=O)NCCCN(C)C)cc1S(=O)(=O)N1CCOCC1 13675550 LFIPBQPQDOVNMY-UHFFFAOYSA-N 369.487 0.697 0 40 FCAB CCN(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 14142021 AGDKPWJGZYJNHE-HUUCEWRRSA-N 365.455 0.616 0 40 FCAB COCCN1CCN(C(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@@]32C)CC1 19576146 YELASBLNYHJEAH-GUXCAODWSA-N 371.437 0.864 0 40 FCAB CN(C)CCNC(=O)[C@]1(Cc2cc([C@H]3CCOC3)no2)CCCNC1 19582874 XUNQVHGZOVZDFI-KSSFIOAISA-N 350.463 0.769 0 40 FCAB COCC(=O)N1Cc2cn(C)nc2[C@H](C(=O)NCCc2ccc(F)cc2)C1 19696366 LHCJSUUGZQBXLX-MRXNPFEDSA-N 374.416 0.990 0 40 FCAB CCN1CCN(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2OC)CC1 22251638 JAGNMDDKCQVEIH-UHFFFAOYSA-N 355.460 0.869 0 40 FCAB O=C(Cn1cccn1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 27077064 FOPQSDDZYPQBGV-UHFFFAOYSA-N 352.391 0.555 0 40 FCAB COC[C@@H](Cn1cncn1)OC(=O)c1ccc(N2CCNC2=O)c(C)c1 89589023 VFRGTMYPPBWIET-CQSZACIVSA-N 359.386 0.988 0 40 FCAB O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(O)cc1O 95351276 JYSUJDIKHWMZNZ-UHFFFAOYSA-N 350.396 0.947 0 40 FCAB Cn1c(N2CCOCC2)nc2cc(C(=O)NC[C@H]3CNCCOC3)ccc21 95370736 YYSLITREXILEEW-CQSZACIVSA-N 373.457 0.376 0 40 FCAB O=C(Cn1cnc(-c2ccccn2)n1)N1CCN(C(=O)c2ccco2)CC1 95447122 RBQVMIIVFZOARN-UHFFFAOYSA-N 366.381 0.918 0 40 FCAB CCn1c([C@H](C)NC(=O)c2cn(CCO)c(=O)[nH]c2=O)nc2ccccc21 95451525 NRTVBALMICASMM-NSHDSACASA-N 371.397 0.390 0 40 FCAB CCN1CCC(C(=O)N2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)CC1 249691960 MBJKNMGIDZDJQD-OAHLLOKOSA-N 369.491 0.048 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cc(-c3ccnn3C)ncn2)CC1 257220710 DLUQVLVFILRPFJ-UHFFFAOYSA-N 364.475 0.938 0 40 FCAB NC(=O)[C@@H]1CNCCN1C(=O)Cn1c(C(F)(F)F)nc2ccccc21 257247686 JABAMXJTZYSMRC-NSHDSACASA-N 355.320 0.341 0 40 FCAB O=C1N[C@H]2OCCC[C@H]2[C@H](C2CCN(S(=O)(=O)c3cn[nH]c3)CC2)N1 257294718 QVJJTGPPTXDPCP-IHRRRGAJSA-N 369.447 0.245 0 40 FCAB CC(=O)N1CC[C@@H](O)[C@@H]2[C@@H](C1)N(S(C)(=O)=O)C[C@H]2c1ccccc1 257302729 SEBVGGPCZKEEKY-HZMVEIRTSA-N 352.456 0.643 0 40 FCAB Cc1cc(N2Cc3ccnn3[C@@H](C(=O)N3CCCCO3)C2)n2ncnc2n1 306142331 WWDUEUASYPEETM-CQSZACIVSA-N 368.401 0.745 0 40 FCAB O=C(CNS(=O)(=O)c1cccc(F)c1)N1CC(OCC(F)(F)F)C1 390829346 DTWALEZJHFTDON-UHFFFAOYSA-N 370.324 0.894 0 40 FCAB Cc1noc(C)c1CN1C[C@@H]2Oc3ncccc3S(=O)(=O)N[C@@H]2C1 514289355 IUZGCCQPFKPOBY-OLZOCXBDSA-N 350.400 0.610 0 40 FCAB biogenic,in-vitro COc1cc(NS(=O)(=O)c2ccc(C)c(OCC(=O)O)c2C)nn1C 547822642 NCVJZCSTBPLGEI-UHFFFAOYSA-N 369.399 1.310 0 40 FCAB Cc1ccc([C@@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)N2CCOCC2)o1 555540011 AYVYNUBVKQUAKM-CQSZACIVSA-N 371.397 0.727 0 40 FCAB Cc1cccn(CC(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)c1=O 583618938 KBSIFXUTZNJPTD-SFHVURJKSA-N 359.430 0.839 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)c3cccc(F)c3)C[C@H]21 585110215 XTRSWEWEIUHDSH-JSGCOSHPSA-N 358.373 0.824 0 40 FCAB O=C1CC[C@@H](C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)N1 585111308 NUQULSAAFPVXPI-JKSUJKDBSA-N 354.410 0.940 0 40 FCAB COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NC(=O)Nc2cccs2)nn1 1549161593 MZGMUIFLNBXEHT-DMDPSCGWSA-N 353.404 0.436 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(COCCN(c3nncs3)C2)C1 1565545137 VZHYEESYMHHMDN-CFAJVAMVSA-N 364.471 0.876 0 40 FCAB CS(=O)(=O)CCC(=O)N1CC[C@@H]2CN(C3CCOCC3)CCO[C@@H]2C1 1565555529 CEPSLMOHGLKRHY-GDBMZVCRSA-N 374.503 0.149 0 40 FCAB NC(=O)c1cc(OC2CN(C(=O)[C@H]3COc4ccccc4O3)C2)ccn1 1889151982 QHAUYQYYCNUVRV-MRXNPFEDSA-N 355.350 0.610 0 40 FCAB Cn1cc(CN2CCC(N=c3ccn(C)[nH]3)(C(=O)N3CCCC3)CC2)cn1 2055746110 LYHKNJDLRCIVAF-UHFFFAOYSA-N 371.489 0.645 0 40 FCAB COC(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 4548249 NVQRTGQEPIDXBP-UHFFFAOYSA-N 359.382 0.954 0 40 FCAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCCN(C(C)=O)CC3)ccc21 12238928 RDNQINOMVQZARR-UHFFFAOYSA-N 367.427 0.857 0 40 FCAB CCc1c(C)nc2cc([C@H]3CCN(S(=O)(=O)N(C)C)C3)nn2c1O 12255148 ZLYYIYOYKAEIIQ-NSHDSACASA-N 353.448 0.901 0 40 FCAB COc1ccc(O[C@@H]2O[C@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)cc1 12378573 HIJHNNAKJPQRND-QUSNUVHPSA-N 367.398 0.816 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 12551811 BYXDLMXGHGKJPP-HUUCEWRRSA-N 362.451 0.832 0 40 FCAB O=C([C@@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1)N1CCOCC1 12815398 KSBOFWJIJSYMDB-CQSZACIVSA-N 357.410 0.811 0 40 FCAB CCOC(=O)C1=C(COC(=O)[C@@H]2COc3ccccc3O2)NC(=O)NC1 12904657 RGYUWOWCFFLTSW-AWEZNQCLSA-N 362.338 0.500 0 40 FCAB COc1ccc(OC)c(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)c1 13668423 OSIBHNRSHLBTTE-UHFFFAOYSA-N 373.475 0.538 0 40 FCAB CCN(CC)S(=O)(=O)N1CCc2nnc([C@H]3CCCCN3C)n2CC1 19706143 FQXCNNWKKMNNCM-CQSZACIVSA-N 370.523 0.880 0 40 FCAB CCN(c1ccc(OCC(=O)N2CCN(C)CC2)cc1)S(C)(=O)=O 23227872 IRUISMGOQUKRBF-UHFFFAOYSA-N 355.460 0.625 0 40 FCAB CN(C)C(=O)CN1CCN(C(=O)CSc2ncnc3ccccc23)CC1 36384679 OWASTUICLMGKQL-UHFFFAOYSA-N 373.482 0.954 0 40 FCAB CN(C(=O)Cn1nc(-c2cccs2)ccc1=O)[C@H]1CCS(=O)(=O)C1 44891339 RIVQXJLSGHOSOR-NSHDSACASA-N 367.452 0.617 0 40 FCAB Cc1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 71297205 GLKORTNAQHMTGF-LLVKDONJSA-N 350.400 0.494 0 40 FCAB C/C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 82077302 BCJMNZRQJAVDLD-JFWBKHKZSA-N 351.399 0.165 0 40 FCAB biogenic CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccc(C)cc3)C[C@@H]2N1S(C)(=O)=O 96182841 RMUMAAKRBPONFD-OAGGEKHMSA-N 351.472 0.575 0 40 FCAB CCN1CCn2c(nn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c2=O)C1=O 98213047 JZUCSEPLTYLFAY-ZDUSSCGKSA-N 357.414 0.706 0 40 FCAB O=C1CCCN1CC(=O)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 100119323 PGHCWOJPUTXJOK-KBPBESRZSA-N 366.421 0.935 0 40 FCAB O=C(NC1CCC1)[C@H]1C[C@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]1O2 107263894 CJXAXJLEEQBCER-AEGPPILISA-N 351.428 0.528 0 40 FCAB CS(=O)(=O)N1CCCC[C@@H]2[C@H]1CCCN2C(=O)CN1CCOCC1 257312684 UPCFNSZKGIRCJL-HUUCEWRRSA-N 359.492 0.124 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1C(=O)Cc1cccnc1 257326897 WZBAYODMHDFKLR-GFCCVEGCSA-N 350.400 0.351 0 40 FCAB O=S(=O)(N1CCOCC1)N1CCC(c2ccn3nccc3n2)CC1 257329907 XLZDGJFOMIGJEU-UHFFFAOYSA-N 351.432 0.486 0 40 FCAB CC1(Cn2cc(C(=O)N3CCN(C(=O)c4cccnc4)CC3)nn2)COC1 329526896 RTFDGFVYXZCDDV-UHFFFAOYSA-N 370.413 0.308 0 40 FCAB CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2ccccc2)C(=O)C1 330918484 NEXMTIYRWFDURV-HNNXBMFYSA-N 367.471 0.826 0 40 FCAB C[C@H]1OCCN(Cc2nc3cc(Br)cnc3[nH]2)[C@@H]1C(N)=O 583619958 RDOVAPXACHPQMA-HQJQHLMTSA-N 354.208 0.795 0 40 FCAB COCCn1nc([C@H]2CCCN(S(=O)(=O)C3CC3)C2)n(C2CC2)c1=O 585233896 SNHNWJGUEFTGEQ-LBPRGKRZSA-N 370.475 0.698 0 40 FCAB COCCN(C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O)C(C)C 585292199 YHNBDONGOJMOHC-SJORKVTESA-N 372.487 0.140 0 40 FCAB CN1CC(=O)Nc2cc(C(=O)N[C@@H](C(N)=O)c3ccc(F)cc3)cnc21 1127802812 CWKSGMWJRRVYLQ-CQSZACIVSA-N 357.345 0.565 0 40 FCAB O=S(=O)(NC[C@]1(OCCO)CCSC1)c1ccc2c(c1)CCO2 1565519648 KJSNXKMPRIQMEI-OAHLLOKOSA-N 359.469 0.784 0 40 FCAB Cc1ncnc(C(=O)N2CCn3c(nc(CN4CCCC4)cc3=O)C2)c1C 1565554401 ZAEQJLGMDRGYAW-UHFFFAOYSA-N 368.441 0.902 0 40 FCAB CS(=O)(=O)CCC(=O)N1CC[C@@H]2CN(C3CCOCC3)CCO[C@H]2C1 1565555532 CEPSLMOHGLKRHY-ZBFHGGJFSA-N 374.503 0.149 0 40 FCAB CC(C)CNC(=O)c1c2c(nn1C)CO[C@H](CNC(=O)c1cc[nH]n1)C2 2055759355 OPPXBEVPDHNEHU-NSHDSACASA-N 360.418 0.400 0 40 FCAB O=c1[nH]c(=O)n(COCCOCc2ccccc2)cc1N1CCOCC1 4698539 XWDVSESFRNGWGG-UHFFFAOYSA-N 361.398 0.564 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCC(F)(F)F)cc1 7814124 YSKAMMFKCLKYLW-UHFFFAOYSA-N 367.349 0.992 0 40 FCAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnc(C3CC3)n2C)C1=O 9054327 VJVWRIPZCNHKLC-AWEZNQCLSA-N 352.420 0.536 0 40 FCAB O=C(NCCOCCO)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421232 VPVPWQBKGHCHJQ-SNVBAGLBSA-N 368.825 0.348 0 40 FCAB CC1(C)CC(=O)[C@@H]([C@@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)CO1 19932576 VYIYNYDSVFPMOK-MGPUTAFESA-N 374.437 0.895 0 40 FCAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCN(c3nccs3)CC2)C1=O 21335509 UFVIWJNCVPANBK-OAHLLOKOSA-N 366.447 0.017 0 40 FCAB O=C(OCC(=O)N1CCNC1=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 24917294 MYGOPFYJJDJTNG-CQSZACIVSA-N 359.382 0.173 0 40 FCAB Cc1cc(C)c(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c(C)c1 26442307 YQKRRGSMKTZNAV-UHFFFAOYSA-N 355.398 0.998 0 40 FCAB Cn1ncc(C(=O)O)c1C(=O)Nc1ncn(Cc2cccc(C(=O)O)c2)n1 36617520 XHCSCECCCPEZMG-UHFFFAOYSA-N 370.325 0.709 0 40 FCAB O=C(CS(=O)(=O)Cc1nnnn1C1CC1)Nc1ccc(F)cc1F 40106220 NTOGMDNHVIPZPH-UHFFFAOYSA-N 357.342 0.840 0 40 FCAB C[C@@H](CCc1ccco1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 47741083 ONYWSHXNUKKWSU-NSHDSACASA-N 359.386 0.164 0 40 FCAB Cc1cc(S(=O)(=O)Oc2ccccc2C(N)=O)ccc1-n1cnnn1 58148501 HTFVSYSXRCURRU-UHFFFAOYSA-N 359.367 0.837 0 40 FCAB CCN(CC)C(=O)CN1CCCN(C(=O)COCC(F)(F)F)CC1 58953002 HGPDNBCYKWPZQF-UHFFFAOYSA-N 353.385 0.968 0 40 FCAB O=C(c1ccco1)N1CCOC[C@]2(C1)CN(c1cccnc1)C(=O)CO2 96051349 NNXPCFRWIQNWCM-SFHVURJKSA-N 357.366 0.949 0 40 FCAB Cn1c(=O)c2cc(S(=O)(=O)NC3[C@@H]4CCCC[C@@H]34)ccc2n(C)c1=O 100768651 OTDGJSLGNQBFRK-VXGBXAGGSA-N 363.439 0.704 0 40 FCAB CCN1C(=O)C[C@@H](N2CCN(c3ncc(Br)cn3)CC2)C1=O 102780074 ZRBQFJQJEAVQSJ-LLVKDONJSA-N 368.235 0.509 0 40 FCAB CNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)N1CCN(C(C)=O)CC1 225400689 MSKSVTDIUZHUIY-JKSUJKDBSA-N 352.479 0.302 0 40 FCAB biogenic,in-vitro COCCN1C(=O)CN(C2CCN(C(=O)c3c(C)noc3C)CC2)C1=O 244933204 CHDYACYMRPNZTA-UHFFFAOYSA-N 364.402 0.807 0 40 FCAB O=C1CCCN1CC(=O)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257313478 USQZRTMEYSJXHS-HXUWFJFHSA-N 357.454 0.631 0 40 FCAB O=C(NCCCCn1cc(Br)cn1)C(=O)N[C@H]1CCNC1 566689089 JJUDYDKCXDLODT-NSHDSACASA-N 358.240 0.020 0 40 FCAB O=C(c1cc(-c2cccnc2)on1)N1CCC(N2C(=O)COCC2=O)CC1 575620845 VYVUDHXSDYVDKZ-UHFFFAOYSA-N 370.365 0.727 0 40 FCAB CS(=O)(=O)NC[C@H]1CCn2nccc2CN1C(=O)Cc1ccco1 585097020 GPOWDRFLPCVSND-GFCCVEGCSA-N 352.416 0.369 0 40 FCAB Cc1noc(CC(=O)N2C[C@@H]3CCN(Cc4cccnc4)C(=O)[C@H]3C2)n1 585107837 LMFIZSGPOMMFEY-GJZGRUSLSA-N 355.398 0.823 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCc3ncncc3C2)cc1 648214445 DDAIKHCZHSZJGN-CYBMUJFWSA-N 360.439 0.588 0 40 FCAB CN(C)CC(=O)N1CCN2C(=O)OC3(CN(c4ccc(F)cn4)C3)[C@@H]2C1 1549162895 YFKAHGJTFXDWBO-ZDUSSCGKSA-N 363.393 0.004 0 40 FCAB C[C@@]1(C(=O)N2C[C@H]3[C@H](NC(=O)C(=O)NCC4CC4)[C@H]3C2)C[C@H]2CC[C@H]1C2 1615058185 MCHBYZAZOCIFCW-YGKOXBLOSA-N 359.470 0.912 0 40 FCAB Cn1cnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)cc1=O 1888897335 BPVIOGPDNIXLSA-UHFFFAOYSA-N 352.402 0.582 0 40 FCAB CN(C)Cc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8298571 KVLIKMFMXFESFI-LESCRADOSA-N 372.473 0.960 0 40 FCAB biogenic,in-vitro CCCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 9754415 PQTIBZSXXOVVSC-GFCCVEGCSA-N 355.460 0.890 0 40 FCAB NC(=O)Cn1c(CO)cnc1SCC(=O)NCc1ccc(F)cc1 9827645 UQWZNDWVJVJUGE-UHFFFAOYSA-N 352.391 0.408 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 12700352 PVLINDUMJLCEBZ-UHFFFAOYSA-N 368.503 0.507 0 40 FCAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC(C(N)=O)CC1 13010627 WWLFKWQOWURHHB-LBPRGKRZSA-N 353.444 0.855 0 40 FCAB COC(=O)c1sccc1NC(=O)C(=O)NCCCN1CCCC1=O 13725037 NEYAZBMSSHEFJG-UHFFFAOYSA-N 353.400 0.602 0 40 FCAB COCCCNC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 16187815 IMXRBXWMPDWTFX-UHFFFAOYSA-N 360.432 0.477 0 40 FCAB O=C(CN1CSCC1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 24989455 AZIXPHGYEJMVOI-UHFFFAOYSA-N 355.441 0.698 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 25206080 XVCREIZRNXUIAG-UHFFFAOYSA-N 363.386 0.852 0 40 FCAB CCCCn1c(SCC2=C(C(=O)OCC)[C@@H](C)NC(=O)N2)n[nH]c1=O 32950590 KNTVMWCBTAQYHX-SECBINFHSA-N 369.447 0.982 0 40 FCAB COCC(=O)N1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 40122355 OSWGXJTXHMTHSE-UHFFFAOYSA-N 359.426 0.673 0 40 FCAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N(CCOC)Cc1ccccn1 40153162 ZIIZIEWXKFWBEE-UHFFFAOYSA-N 368.415 0.819 0 40 FCAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCC(=O)N3CCCC3)cc2)o1 44903387 WPZGNBWQAUBPCC-UHFFFAOYSA-N 357.370 0.722 0 40 FCAB CC(C)(CNC(=O)CN1CCS(=O)(=O)CC1)c1ccc2c(c1)OCO2 58210230 IPJHPFIAODDMBR-UHFFFAOYSA-N 368.455 0.540 0 40 FCAB COCCCC(=O)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 72309930 IPJMMWVGSUZNLO-UHFFFAOYSA-N 370.427 0.880 0 40 FCAB CCOC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)n1 89984705 GCEIQUDUSLHIAM-VIFPVBQESA-N 363.399 0.963 0 40 FCAB Cn1c(C(F)(F)F)nn(CCNC(=O)Cn2cnc3ccccc32)c1=O 90590805 WFLSCVSMSYXQST-UHFFFAOYSA-N 368.319 0.767 0 40 FCAB COc1cccc(OC)c1CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 222556840 LXACFTDIZNSLQX-GFCCVEGCSA-N 356.444 0.992 0 40 FCAB CCc1oncc1C(=O)N1CC2(C1)OCC[C@H]2COCC(=O)N(C)C 575404885 VRDYQMQQQLGYSU-LBPRGKRZSA-N 351.403 0.573 0 40 FCAB C[C@]1(N(CCN)S(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 575424348 KAUKNZBKOAJNEQ-ZDUSSCGKSA-N 366.892 0.867 0 40 FCAB CCCS(=O)(=O)N1Cc2ncn(C)c2C[C@H]1CNc1ncccn1 585095010 ZOWWPPDMTVMFBU-LBPRGKRZSA-N 350.448 0.789 0 40 FCAB COC[C@]1(CC(N)=O)CN(C(=O)C2(c3ccccc3F)CC2)CCO1 585278638 PMXMUTPIAQBDPO-KRWDZBQOSA-N 350.390 0.977 0 40 FCAB Cc1ccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C)[C@H]4C3)CC2)cc1 585284603 UBQQNVKQHSRFLB-ROUUACIJSA-N 359.470 0.868 0 40 FCAB O=C(Cn1cnnn1)N1CCN(C(=O)NCc2ccc3occc3c2)CC1 665962572 IHHXIKRUMLDCHK-UHFFFAOYSA-N 369.385 0.473 0 40 FCAB O=C(CCc1cncnc1)N1CCOC[C@]2(C[C@H](Cn3cnnc3)CO2)C1 1565552781 XDWCABQLAGHYLH-AEFFLSMTSA-N 372.429 0.335 0 40 FCAB O=C(Cn1ccccc1=O)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 1565555818 QAAIVWFEIGINJH-DLBZAZTESA-N 357.410 0.801 0 40 FCAB COCCN1C(=O)C[C@H](C(=O)NCc2ccc(C)nc2)[C@H]1c1nccn1C 1615554359 XAVMFEIDXKJGRF-RDJZCZTQSA-N 371.441 0.976 0 40 FCAB COc1nccnc1N(C)CC1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1775973362 GZDIZIYNZDUEJP-UHFFFAOYSA-N 372.429 0.568 0 40 FCAB CC(C)NC(=O)[C@H](C)N1CCN(c2nc3ccccc3c(=O)n2C)CC1 1888906563 SANAXZXOZXGYFQ-AWEZNQCLSA-N 357.458 0.969 0 40 FCAB O=C(NC1CC1)[C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCO1 1889091591 HFGMPWFJDRPAKG-SECBINFHSA-N 356.308 0.627 0 40 FCAB CC(=O)c1cc(C(=O)N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)n[nH]1 2055747751 SZIPORXLCZBIPC-IRXDYDNUSA-N 373.413 0.943 0 40 FCAB COC(=O)c1ccc2c(=O)n3c(nc2c1)S[C@@H]1CS(=O)(=O)C[C@@H]13 2461988 BDCRGOOXAQXNEW-WDEREUQCSA-N 352.393 0.627 0 40 FCAB COc1cc([C@@H]2C/C(=C3\C(=O)NC(=O)N(C)C3=O)NN2C(C)=O)ccc1O 9136845 CVDOOEUVOPAQDF-HKLRHMNMSA-N 374.353 0.161 0 40 FCAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCOCC3)N2)cc1 9668442 VYNIUPWGEGUKBD-AWEZNQCLSA-N 359.386 0.160 0 40 FCAB C[C@@H]1Cc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O 17637216 OMVDCQYRILOTKX-ZWNOBZJWSA-N 372.468 0.314 0 40 FCAB Cc1cnc(C(=O)NCCc2nc(C)ncc2C(=O)N2CCOCC2)cn1 19697293 RHFDQBNPFXWFQN-UHFFFAOYSA-N 370.413 0.328 0 40 FCAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(CCO)CC1 20358190 VFNCWQLUKLWYOW-UHFFFAOYSA-N 374.441 0.811 0 40 FCAB CC(C)(C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 25263778 HYQAZQNAMGVPFO-UHFFFAOYSA-N 358.416 0.808 0 40 FCAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1 35485362 AGLPLYYJVIHCNC-BZSNNMDCSA-N 357.454 0.987 0 40 FCAB CC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 40073551 SRELRPSVNBKCHD-UHFFFAOYSA-N 353.444 0.306 0 40 FCAB COCCNC(=O)C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 43943996 PURPRHUCQAPKJH-UHFFFAOYSA-N 365.405 0.557 0 40 FCAB CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)CC1 72260147 CGAINMMGEOHXLS-UHFFFAOYSA-N 362.434 0.138 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1 75031668 XNBJHQAPWYARNH-UHFFFAOYSA-N 364.471 0.671 0 40 FCAB O=C1CC[C@H](NC(=O)c2ccccc2I)C(=O)N1 89754477 JKBROTDNXWZZMS-VIFPVBQESA-N 358.135 0.826 0 40 FCAB CCCS(=O)(=O)N1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 95972300 YRVMDSNMKKZVFN-GFCCVEGCSA-N 371.425 0.897 0 40 FCAB CS(=O)(=O)N1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 96038310 GNOGFBDXKXDOSA-UHFFFAOYSA-N 365.459 0.705 0 40 FCAB Cc1nn(CC(=O)N2CCC[C@H]2C(=O)NC2CC2)c(=O)c2ccccc12 97205407 ZLFFKMZLBZGMFX-INIZCTEOSA-N 354.410 0.975 0 40 FCAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)no1 108536277 ONXJWKAYWUFWNP-GFCCVEGCSA-N 357.432 0.686 0 40 FCAB COc1ccccc1O[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](O)[C@H]1NC(C)=O 247904386 BUZDTRJMALZTAY-UHDSXZAQSA-N 367.398 0.816 0 40 FCAB CN(C)S(=O)(=O)N1CC2(C[C@H](CCOc3cnccn3)CCO2)C1 247982604 XWBBMTFWBOYSNG-CYBMUJFWSA-N 356.448 0.533 0 40 FCAB N[C@@H](CCC(=O)O)C(=O)N1C[C@H](O)[C@H](Cc2ccnc3cccnc23)C1 257254401 KCXPRPZHATZIKZ-IPYPFGDCSA-N 358.398 0.184 0 40 FCAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccn(C)n1 257294745 QVNLEDFDAMGGTP-INIZCTEOSA-N 370.457 0.291 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)NC[C@]1(O)CCN(c2ccccn2)C1 257331099 XRIOQKYYCTWTHY-OAHLLOKOSA-N 351.432 0.043 0 40 FCAB CN(C)c1ncc2c(n1)[C@H]1CN(S(C)(=O)=O)C[C@H]1N(CC1CC1)C2 306130337 JCWKHFPUMNTTAJ-UONOGXRCSA-N 351.476 0.496 0 40 FCAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCSCCO 524731997 SHZWPUQXQLHBGQ-QEORTHHSSA-N 350.440 0.938 0 40 FCAB biogenic CC(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 575404178 AGLDRMSSTOBLNT-AWEZNQCLSA-N 356.448 0.922 0 40 FCAB CC(C)C(=O)N1CC2(C1)CN(C)[C@H](C(=O)N(C)Cc1ccccn1)CO2 575406576 YMOCLYIOBPVHSJ-INIZCTEOSA-N 360.458 0.608 0 40 FCAB O=C(NC[C@]1(O)CN(Cc2ccc(F)c(F)c2)C[C@H]1O)c1cnc[nH]1 585261362 HEIVYEZKMLPBQL-ZBFHGGJFSA-N 352.341 0.026 0 40 FCAB Cc1ccc(C(=O)N2CCC(NC(=O)NCCN3CC[C@@H](O)C3)CC2)cc1 636711965 NAXUZTKMZYVEEQ-GOSISDBHSA-N 374.485 0.965 0 40 FCAB Cc1cc(CN2CCO[C@@]3(CO[C@H](C(=O)NCC(F)(F)F)C3)C2)n[nH]1 1565543339 OFHUJNMJGZXDFZ-GXTWGEPZSA-N 362.352 0.757 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840265 KZWXGAJEDVGLMZ-IBGZPJMESA-N 359.426 0.937 0 40 FCAB CCCn1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 1357478 JYDISMQIJNHSJY-UHFFFAOYSA-N 364.431 0.753 0 40 FCAB CSCSC[C@H](CO)NC(=O)/C(C)=C\c1c(C)[nH]c(=O)[nH]c1=O 1743871 PHNDAAHKXMCWTN-PENHIPQLSA-N 359.473 0.306 0 40 FCAB Cc1c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(=O)n(C)c(=O)n1C 4337730 OHLSQDBVDAXYGS-UHFFFAOYSA-N 361.782 0.986 0 40 FCAB Cc1nnc(SCC(=O)NCc2ccc(S(N)(=O)=O)cc2)s1 5059882 BMZFYLBUFZDWAU-UHFFFAOYSA-N 358.470 0.902 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCCC2)cc1 6550826 FAYNQJMXLSJWKW-UHFFFAOYSA-N 353.444 0.679 0 40 FCAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)O[C@@H]1CCOC1=O 8761976 WRKPFNMUIKTSNA-LLVKDONJSA-N 352.368 0.364 0 40 FCAB CCN1C(=O)[C@H](NC(=O)C(=O)NCCO)c2cc(Br)ccc21 13629267 RFBZVYPJNLMHGR-LLVKDONJSA-N 370.203 0.081 0 40 FCAB C[C@H]1CN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CCO1 24002343 CROXWELGVHSZLA-ZDUSSCGKSA-N 372.425 0.081 0 40 FCAB C[C@@H]1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C[C@@H](C)O1 28218579 LZUMWVMODVMYPT-ZIAGYGMSSA-N 364.450 0.158 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1COc2ccccc2O1 31173620 DGNRKCOGLMFVCT-KGLIPLIRSA-N 368.455 0.452 0 40 FCAB COc1c([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc2c(c1OC)OCO2 35325397 XOCGAUYHLDSSMC-LURJTMIESA-N 360.326 0.572 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1C 38556519 KYQBORARXQVFAT-QWHCGFSZSA-N 356.444 0.966 0 40 FCAB Cc1c(C(=O)N2CCC(NS(C)(=O)=O)CC2)[nH]c2c1C(=O)CCC2 40024459 RJDAQVAHUBBVTO-UHFFFAOYSA-N 353.444 0.996 0 40 FCAB CN(Cc1ccccc1)C[C@@H](O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1 58162184 RHELTYQPQWKYCV-QGZVFWFLSA-N 366.425 0.932 0 40 FCAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cnn(CC(F)F)c2)C1 92820843 PRFCQPBYMKGQII-SNVBAGLBSA-N 351.379 0.694 0 40 FCAB Cn1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cn1 96000352 JVIROOPNXTWIPP-OAHLLOKOSA-N 367.475 0.025 0 40 FCAB COC[C@@H]1CC2(CCN(c3ncc(F)cn3)CC2)CN1S(C)(=O)=O 96206048 OJHZEXLMPKTMDU-ZDUSSCGKSA-N 358.439 0.883 0 40 FCAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1Cl 97108807 HUFQGQHMXINSHZ-UHFFFAOYSA-N 369.834 0.913 0 40 FCAB Cc1c(NC(=O)CN2CCN(Cc3ccccc3)C[C@H]2C(N)=O)cnn1C 257252989 JXCNVVRWVNDKFO-KRWDZBQOSA-N 370.457 0.339 0 40 FCAB Cc1cccnc1C(=O)N1CCOC[C@H]1c1[nH]ncc1S(C)(=O)=O 257284194 PBQFGGIANJNAKS-NSHDSACASA-N 350.400 0.730 0 40 FCAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C3OCCO3)O2)c1 409281374 MGOLQXYAZJUVQQ-ZYKCCNLVSA-N 371.345 0.659 0 40 FCAB O=C(O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 583650552 HZDOWWDUKASIEG-JTQLQIEISA-N 367.301 0.906 0 40 FCAB CCOc1cccc(S(=O)(=O)N2CCC[C@@](O)(CC(=O)NC)C2)c1 643696283 OIHYZAGLHIHYAN-MRXNPFEDSA-N 356.444 0.737 0 40 FCAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1 1565544538 KLPDQEUPFGUWEJ-CQSZACIVSA-N 365.397 0.590 0 40 FCAB CN(C)CCN1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)CC[C@H]21 1565547944 YTRKKYIETDFGIS-SJORKVTESA-N 362.474 0.102 0 40 FCAB NC(=O)c1cc(OC2CN(S(=O)(=O)c3ccccc3F)C2)ccn1 1889205635 YPQMIIZJVBZUBQ-UHFFFAOYSA-N 351.359 0.772 0 40 FCAB Cc1cccc(Cn2c(NCCN(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 4225854 XEAMXNOAZCCSSQ-UHFFFAOYSA-N 370.457 0.764 0 40 FCAB CC(C)(C)NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 4495241 ODHQXZDOZLVGCG-UHFFFAOYSA-N 367.427 0.573 0 40 FCAB CCOC(=O)/C=C/C(=O)N1CCN(C(=O)/C=C/C(=O)OCC)[C@H](C)C1 5650490 XGKXDXRFGLBGBN-IQWIHVJWSA-N 352.387 0.284 0 40 FCAB Cn1c(=O)c2[nH]c(SC[C@@H]3COc4ccccc4O3)nc2n(C)c1=O 6161093 MAELQYUMNKJDRH-VIFPVBQESA-N 360.395 0.892 0 40 FCAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cnccn1 14200155 RHNZLDNKKLRSCM-UHFFFAOYSA-N 366.374 0.889 0 40 FCAB CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1 32911877 JWPBQHNJYATWPM-GFCCVEGCSA-N 358.485 0.853 0 40 FCAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(-n2cncn2)nc1 40108122 NQBAGRDHKFXMDN-ZDUSSCGKSA-N 364.431 0.093 0 40 FCAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(CCN)[C@@H]3CO)cc2)no1 72321363 TWPLGGRBUQZOLO-NVXWUHKLSA-N 374.397 0.455 0 40 FCAB biogenic,in-vitro O=C(CN1CCS(=O)(=O)CC1)NC1(c2cccc(F)c2)CCOCC1 81367345 VLZPHJNVFJIWAX-UHFFFAOYSA-N 370.446 0.678 0 40 FCAB CN1CCN(c2ncnc3c2CCN(C(=O)c2cccnc2)CC3)CC1 96255694 QPXKVANPCFUHDQ-UHFFFAOYSA-N 352.442 0.864 0 40 FCAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(c2ncccn2)CC1 101713990 RZHMDOSBFYSFOH-OKILXGFUSA-N 357.414 0.300 0 40 FCAB CN(C(=O)c1ccccn1)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257234505 GTUVTGKHTZPDOM-DYEKYZERSA-N 353.386 0.640 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cccnc2N)CCN1CCc1ccccc1 257248320 JDCRIKDGIXSBLK-QGZVFWFLSA-N 367.453 0.779 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cncc(-c3nccn3C)n2)C1 257308223 TVXGEVBVZGNXOR-CYBMUJFWSA-N 364.475 0.938 0 40 FCAB O=C(c1cncc(Br)c1)N1CC(CN2C(=O)COC2=O)C1 575615593 GQCMLITXOQGRJH-UHFFFAOYSA-N 354.160 0.895 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CCOC[C@H]3COc3cnccn3)CC2)n1 585104287 YHGVLSAGCZCAPF-AWEZNQCLSA-N 372.429 0.943 0 40 FCAB Cn1cc(N2[C@@H](C(=O)O)CC[C@@H]2C(=O)N2CCOCC(F)(F)C2)cn1 630670318 JGQIKAXIGDORJE-VXGBXAGGSA-N 358.345 0.336 0 40 FCAB Cc1cnn(CC2CCN(C(=O)[C@@H]3Cn4c(C)nnc4CN3C)CC2)c1 644373159 XSJTXROABORXBM-INIZCTEOSA-N 357.462 0.844 0 40 FCAB C[C@H]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)O1 661182092 SPOYGIVKNDWOCJ-BFHYXJOUSA-N 362.496 0.514 0 40 FCAB O=C(CNS(=O)(=O)c1ccccc1)N1CCO[C@@H]([C@H]2CCCO2)C1 1118208443 LWNHCURUIKIRPU-HUUCEWRRSA-N 354.428 0.371 0 40 FCAB CCS(=O)(=O)Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 1253348730 LQPNHPQFAOATJQ-LBPRGKRZSA-N 351.384 0.209 0 40 FCAB COc1cnc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)nc1 1565552828 AFSRRTVCUIQPRB-UHFFFAOYSA-N 361.427 0.885 0 40 FCAB Cc1csc2ncc(C(=O)NC[C@@H]3CNC[C@H]3c3cncn3C)c(=O)n12 1615591967 PRWLNQQZTOICSO-NWDGAFQWSA-N 372.454 0.531 0 40 FCAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccc(O)nn5)C[C@@H]4C3)n1)CCC2 1888869695 QIKWVLAEYKJYPN-STQMWFEESA-N 366.425 0.978 0 40 FCAB Cn1c(O)nc(N2C[C@H]3CN(c4ncnc5cnccc45)C[C@@H]3C2)cc1=O 1888890189 YVZUEIOODZMIMI-RYUDHWBXSA-N 365.397 0.397 0 40 FCAB O=C(c1cncc(F)c1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888901350 YRRTVJJDAMEKPY-BETUJISGSA-N 353.361 0.867 0 40 FCAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4nncn4C)CC3)nn2)n1 2087143620 PLZHGKVVMJXDOX-UHFFFAOYSA-N 353.434 0.730 0 40 FCAB Cn1nc(C(=O)OCn2nnc3ccccc3c2=O)c2ccccc2c1=O 3368841 KUBVRSKCQCRCMA-UHFFFAOYSA-N 363.333 0.853 0 40 FCAB COc1ccc(-n2nnc3c(N4CCN(C(C)=O)CC4)ncnc32)cc1 9850028 AFFJWAUBNLLKCY-UHFFFAOYSA-N 353.386 0.888 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](C)NC(N)=O)CC2)cc1 10566665 MAALPOXTSQCLIW-LBPRGKRZSA-N 368.459 0.321 0 40 FCAB COCCC(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089380 IIMGCCHUACWHEC-MRXNPFEDSA-N 353.444 0.992 0 40 FCAB COC(=O)CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 12563399 CTIFSDQMNZKABL-TXEJJXNPSA-N 370.427 0.387 0 40 FCAB CNC(=O)NC(=O)[C@H](C)Sc1nnnn1-c1cccc(NC(C)=O)c1 12920740 KZOZUZNAUTWQSS-QMMMGPOBSA-N 363.403 0.557 0 40 FCAB Cc1cnc2c(C(=O)N3CCO[C@](C)(C(=O)N4CCOCC4)C3)cnn2c1 19746933 QKJSQWKLAIDVCM-SFHVURJKSA-N 373.413 0.128 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cc(C)on2)CC1 35267015 XVEOWXRUCPYXNZ-CYBMUJFWSA-N 373.479 0.514 0 40 FCAB CN(CC(=O)Nc1ccc2c(c1)NC(=O)CO2)[C@@H]1CCS(=O)(=O)C1 40071123 PWQLWCANUTYKQD-LLVKDONJSA-N 353.400 0.075 0 40 FCAB CC(C)N(CCCNC(=O)NCCNc1ncccn1)S(C)(=O)=O 47058178 YQIYQTQQSWHNLM-UHFFFAOYSA-N 358.468 0.248 0 40 FCAB NC(=O)CN1CCC(NC(=O)c2cc(Br)ccc2O)CC1 48285812 UVFYAEYELKVKNK-UHFFFAOYSA-N 356.220 0.834 0 40 FCAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 58408465 FGJUXXPTZMZKGG-LLVKDONJSA-N 373.388 0.792 0 40 FCAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NC(CO)(CO)CO 67665134 QYIXDZZHVVTARJ-CQSZACIVSA-N 358.394 0.038 0 40 FCAB in-vitro O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CCC2(CC1)OCCO2 70641314 PQJBOSFOUZOEOB-INIZCTEOSA-N 360.410 0.780 0 40 FCAB O=C(N1CCCC1)N1CCOC[C@]2(C1)CN(c1ccccn1)C(=O)CO2 96051387 ORLYJIIPVRSFAU-SFHVURJKSA-N 360.414 0.732 0 40 FCAB COCCN1CCOC[C@@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 96160611 XPPIAEUUVCBYON-RHSMWYFYSA-N 350.419 0.103 0 40 FCAB CS[C@@H]1CN(c2ccc(C(=O)NC3CCOCC3)nn2)C[C@@H]1N(C)C 107539583 WTYJQGVAJLPOMU-LSDHHAIUSA-N 365.503 0.867 0 40 FCAB CN(C)c1nccnc1C[C@@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 257205037 AXJIHUDWYRKFJD-LBPRGKRZSA-N 350.448 0.909 0 40 FCAB O=C(O)Cc1ccc(O[C@@H]2CN(C(=O)Cc3cccnc3)C[C@H]2O)cc1 257313241 URNKLIXNCAQMJB-IAGOWNOFSA-N 356.378 0.902 0 40 FCAB CNC(=O)c1ccc(CS(=O)(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)cc1 289125679 KWVVDJSLWHEROQ-UONOGXRCSA-N 369.487 0.263 0 40 FCAB COc1cnccc1N1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 578137249 ZIHPDPSLRYTDJQ-ZDUSSCGKSA-N 357.418 0.378 0 40 FCAB O=C(O)CN1CCCC[C@@H](NC(=O)[C@@]2(c3ccccc3)CCNC2)C1=O 630577724 VQIDZRBIVLWTCX-BEFAXECRSA-N 359.426 0.500 0 40 FCAB O=C(NCc1ccon1)[C@H]1C[C@]2(CO1)CN(Cc1nccs1)CCO2 1565541658 LDJAJEIQBDJFHM-CZUORRHYSA-N 364.427 0.807 0 40 FCAB c1nc(N2CCOCC2)cc(N2CCN(c3nccn4nccc34)CC2)n1 1889149140 CQOQUAPBCBQILW-UHFFFAOYSA-N 366.429 0.683 0 40 FCAB CN(C)CCOC[C@@H]1CN(C(=O)CCc2ccc[nH]2)Cc2nnn(C)c21 2055750644 LURAZHXKBVRHCF-AWEZNQCLSA-N 360.462 0.780 0 40 FCAB Cc1ccc(OCC(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1C 3478203 JLNGUSUPQKENCU-CQSZACIVSA-N 369.439 0.871 0 40 FCAB C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)c1ccccc1 10953102 SCFUFRDZJNRRFD-NSHDSACASA-N 370.365 0.248 0 40 FCAB CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 13575098 PJRFPGAZODKYNO-YJOCQTRESA-N 357.410 0.586 0 40 FCAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCN(C)C)cc1 19819011 LSBWBIAJECOSFW-GJZGRUSLSA-N 360.501 0.086 0 40 FCAB C[C@@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)NC(N)=O 21867904 SSKKSGSQTIVUKB-LLVKDONJSA-N 360.370 0.530 0 40 FCAB Cc1cc([C@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)s1 26833865 BESHOUXXFQESML-VIFPVBQESA-N 357.457 0.802 0 40 FCAB CCOC(=O)CNC(=O)CN1CCN(Cc2nc3ccccc3[nH]2)CC1 35598336 DRRIBQSVRCAAAK-UHFFFAOYSA-N 359.430 0.360 0 40 FCAB CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 36140666 WFHDRXUDZPWGAY-UHFFFAOYSA-N 373.862 0.895 0 40 FCAB COc1ccc(-n2ncc(/C(O)=N/S(C)(=O)=O)c2C(F)(F)F)nn1 48480692 QXEGTDWGQRLYLM-UHFFFAOYSA-N 365.293 0.954 0 40 FCAB CCN(CC)[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)c1ccco1 58290921 KZLOWTKTTMTCEX-CQSZACIVSA-N 357.476 0.509 0 40 FCAB COC(CNC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)OC 75163737 KYDDFMCBVHPIKN-UHFFFAOYSA-N 361.280 0.910 0 40 FCAB CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)c3ncccn3)C2)O1 96219024 DEWZKOAXWDGMGZ-IUODEOHRSA-N 354.432 0.180 0 40 FCAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCc1nnc2ccccn12 103279858 XLBXQQFZOXRQRY-CHWSQXEVSA-N 353.382 0.687 0 40 FCAB O=C(NCC1CCOCC1)[C@@H]1CN(c2ncc(F)cn2)Cc2ccnn21 247502720 QILFGYMWQSRTRN-HNNXBMFYSA-N 360.393 0.916 0 40 FCAB Cn1cncc1C(=O)N[C@@H]1C[C@H](O)[C@@H](N2CCc3ccccc3C2)[C@@H]1O 257279514 OGZAYZMHJUYDRF-BZZMCLGOSA-N 356.426 0.071 0 40 FCAB CC[C@@H](C)Oc1cc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)ccn1 272082288 WLDIRACOEYUDPU-CHWSQXEVSA-N 370.475 0.904 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)C1=O 390829487 FANLQZOVSLEEDA-NSHDSACASA-N 368.419 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32771930 YJYJEHLXXULDCR-LBPRGKRZSA-N 353.806 0.967 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)cc1 32904577 KOXZYSVFOBCINC-HNNXBMFYSA-N 365.455 0.543 0 40 FCAB CC(=O)N1CCN(C(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)CC1 36596672 OLSKZQPEDQMUDM-OAHLLOKOSA-N 358.398 0.858 0 40 FCAB Cc1nnc(NC(=O)CN2CCN(C[C@@H](O)c3ccco3)CC2)s1 85436898 MUBMRXMWBLMFBJ-GFCCVEGCSA-N 351.432 0.729 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)Cc2ccc3c(c2)OCC3)CC1 95478591 CLAAWLXJYRIHMT-UHFFFAOYSA-N 353.444 0.115 0 40 FCAB COC(=O)[C@H]1O[C@@H](SC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 95869966 HHAWIPPOHLEARU-GCQYFTOKSA-N 364.372 0.042 0 40 FCAB O=C1CO[C@@]2(COCCN(S(=O)(=O)C3CC3)C2)CN1c1ccccc1 96051286 UTSISEBLKANDBD-QGZVFWFLSA-N 366.439 0.613 0 40 FCAB CC(C)n1cc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cn1 96192153 ZJIACMKSHVHOKN-OAHLLOKOSA-N 363.462 0.655 0 40 FCAB COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)NCCN(C)C)C1=O 96232817 DFTUSECDWIUJPA-AWEZNQCLSA-N 362.430 0.226 0 40 FCAB Cc1cc(N2CCC[C@H](NS(=O)(=O)CC3CCOCC3)C2=O)n(C)n1 97010030 SRMADZLDEGQJJS-AWEZNQCLSA-N 370.475 0.570 0 40 FCAB CC(C)NC(=O)N1CCN(Cc2cnn(C)c2)C[C@]2(CC(=O)N(C)C2)C1 97952759 PJZZVGALSRCOIX-GOSISDBHSA-N 362.478 0.504 0 40 FCAB Cc1ccc(NC2=C(Br)C(=O)O[C@H]2C(C(N)=O)C(N)=O)cc1 101462909 AUWJJQHTIRFUCD-NSHDSACASA-N 368.187 0.526 0 40 FCAB CCOc1ccc(-c2noc(CNC(=O)Cn3ncccc3=O)n2)cn1 225816421 MCMXLNQYDAXDOL-UHFFFAOYSA-N 356.342 0.403 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(Cc3scnc3C)C2)CN1CC1CC1 248046991 QWUMLSGLORQGFG-AWEZNQCLSA-N 350.488 0.863 0 40 FCAB Cc1nc2ccc(C(=O)N3C[C@@H](O)[C@H](n4cc(F)c(O)nc4=O)C3)cc2[nH]1 257209547 BQVCSAMDDQAQDG-ZIAGYGMSSA-N 373.344 0.331 0 40 FCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@H](CNC(=O)N2CCCC2)C1 306125365 CNNQRMHQPVBTFG-OAHLLOKOSA-N 369.491 0.480 0 40 FCAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cnccn3)C[C@H]12)c1ccncc1 585094059 ZQOQWKNPLJDFCJ-SQWLQELKSA-N 353.382 0.389 0 40 FCAB Cn1ccc(CC(=O)N2C[C@H]3OCCN(C(=O)c4ccco4)C[C@H]3C2)n1 585107947 JCZDQPDVRPQRLL-XJKSGUPXSA-N 358.398 0.555 0 40 FCAB C[C@@](O)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)Cc1ccsc1 618255763 YSXGLNKFGCRWMJ-HNNXBMFYSA-N 360.501 0.829 0 40 FCAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cc2cc[nH]c(=O)c2s1 648813093 PGQYNKMPMXISAB-ONGXEEELSA-N 369.468 0.989 0 40 FCAB CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C]1C(=O)O 1560408678 QCMZDSHBRIXFLS-GPCCPHFNSA-N 364.403 0.187 0 40 FCAB CCOCC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(OC)n(C)n2)C1 1615057745 IMCNPPHPFVOIJB-DZGCQCFKSA-N 364.446 0.918 0 40 FCAB C[C@]1(C(N)=O)CN(CC2(O)CCN(c3ccccc3F)CC2)CCO1 1615193342 WZKKQEPQOZTLRZ-QGZVFWFLSA-N 351.422 0.733 0 40 FCAB COc1nn(C)cc1C(=O)N1CCN(c2nc(C)c(F)c(O)n2)CC1 1888847507 NFAQDWVNFAQCDT-UHFFFAOYSA-N 350.354 0.334 0 40 FCAB CN(C)C(=O)C1(Nc2ccccc2)CCN(S(=O)(=O)N(C)C)CC1 2055751168 ORVHUARERUEYCJ-UHFFFAOYSA-N 354.476 0.828 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3nn(C)cc3Cl)[C@H]2SC1 2739338 HIWQXSOSGUJLGS-PRHODGIISA-N 356.791 0.446 0 40 FCAB O=C(/C=C/CC(=O)OCCN1CCCC1=O)OCCN1CCCC1=O 5504860 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69923967 SQKCDMWPASTPCD-UHFFFAOYSA-N 356.386 0.511 0 40 FCAB O=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccc2nsnc2c1 70640972 ANMURMDLORCUDS-UHFFFAOYSA-N 367.394 0.864 0 40 FCAB Cc1nn(C)cc1CN1CCc2c(nc(N3C[C@H](C)O[C@H](C)C3)[nH]c2=O)C1 72335573 APIHQADWSBXXQP-BETUJISGSA-N 372.473 0.984 0 40 FCAB COC(=O)c1ccoc1CN(Cc1ccco1)[C@@H]1CS(=O)(=O)C[C@@H]1O 95446655 LKDIMOHDHNCWGB-KGLIPLIRSA-N 369.395 0.819 0 40 FCAB O=C(c1ccncc1)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 96220648 PPXFSLQTKHBDIE-OAHLLOKOSA-N 355.398 0.922 0 40 FCAB Cc1cnc(C(=O)N2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3CC2)cn1 96249480 UBYZTHVOKHDMSP-KBPBESRZSA-N 354.432 0.050 0 40 FCAB CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3Cc4ccccc4C3)[C@@H](O)[C@H]2O1 225513411 OACUUEQXZMODSU-VXXGZENSSA-N 374.481 0.944 0 40 FCAB biogenic,in-vitro Cc1cncc(OC[C@@H]2Cc3c(ncn3C)CN2C(=O)C2CC(O)C2)n1 585094859 QSJCOSDYHRQXOH-MOKVOYLWSA-N 357.414 0.622 0 40 FCAB O=C(CC1CC1)NCc1cnc2n1CCN(C(=O)CC1(O)CCC1)CC2 585110617 KFFPQKVYNMQDBR-UHFFFAOYSA-N 360.458 0.989 0 40 FCAB COc1nc(OC)nc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2087137397 LPCPJZRXPFZESC-SNVBAGLBSA-N 373.360 0.352 0 40 FCAB Cn1ncc2c(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)ncnc21 11685637 SAMTYPXIMUNXSE-UHFFFAOYSA-N 373.398 0.105 0 40 FCAB COC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 9063850 REOYWISQOZIUDH-GFCCVEGCSA-N 372.443 0.481 0 40 FCAB CC(C)(C)c1cc(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)on1 22796791 OGLOMRBWPLDFKS-UHFFFAOYSA-N 363.462 0.807 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)N1 21474749 CYIFORVZQUHSBS-UHFFFAOYSA-N 356.382 0.628 0 40 FCAB CCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1 1391740 WHPBLVNOWAUMGE-GFCCVEGCSA-N 360.819 0.782 0 40 FCAB CN1C(=O)N(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)C(=O)C12CCCCC2 43462064 PQCMIYHTWALVES-OAHLLOKOSA-N 371.459 0.277 0 40 FCAB CCOC(=O)CN(CCOC)CC(=O)NC(=O)Nc1ccccc1F 58210483 SGWPXYGSHQPHMQ-UHFFFAOYSA-N 355.366 0.985 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1 10602202 AFKLAAAYQZNVJN-UHFFFAOYSA-N 368.411 0.679 0 40 FCAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(C(N)=O)CC1)C2=O 12791402 OVZTXRYEJSEGKM-APPDUMDISA-N 350.419 0.211 0 40 FCAB C[C@@H](O)CNC(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6661841 SLQXCJCMRKZRIJ-SSDOTTSWSA-N 356.400 0.733 0 40 FCAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCNC2=O)C1=O 8749527 ULNJMFPKLVBQRR-OAHLLOKOSA-N 350.762 0.659 0 40 FCAB COc1ccc(N([C@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1 19999197 SJAIQUSWTPSZQF-CYBMUJFWSA-N 355.460 0.624 0 40 FCAB COCCn1cc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cn1 71925694 GHBFLDLJMWIEAS-MRXNPFEDSA-N 352.483 0.923 0 40 FCAB CS(=O)(=O)c1c(N2CCOCC2)n[nH]c1NC(=O)c1cccs1 83987629 IDKZRTHQHOVGCC-UHFFFAOYSA-N 356.429 0.964 0 40 FCAB CCCS(=O)(=O)N1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 95972301 YRVMDSNMKKZVFN-LBPRGKRZSA-N 371.425 0.897 0 40 FCAB COc1ccc(OCc2cn(CC(=O)NCCC(=O)NC3CC3)nn2)cc1 227168199 ISEFAEXOIGDOBY-UHFFFAOYSA-N 373.413 0.651 0 40 FCAB O=C(Nc1cccnc1)c1c[nH]c(=O)n(Cc2ccc3c(c2)OCO3)c1=O 77099872 CTCWASWOGGRZQG-UHFFFAOYSA-N 366.333 0.961 0 40 FCAB COc1cccc(C(=O)N2CCC3(CC2)O[C@@H](C(N)=O)Cn2ccnc23)c1 96144771 DCSSSVZETIJBKN-OAHLLOKOSA-N 370.409 0.907 0 40 FCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)N1CCCC1)C2 96050474 RMNVWPGSYWIFRE-GOSISDBHSA-N 374.445 0.276 0 40 FCAB O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257263386 LPRCQLCQVJSQPX-GPMSIDNRSA-N 358.442 0.836 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)Nc2cc(-n3cccn3)ncn2)CC1 90614163 DESPMDBJCVSSBL-UHFFFAOYSA-N 350.404 0.272 0 40 FCAB C[C@H]1c2ccccc2OCCN1C(=O)c1nc(N)nc(N2CCOCC2)n1 621147185 LRGKRZXTCZNQDA-LBPRGKRZSA-N 370.413 0.886 0 40 FCAB CNc1cc(C(=O)N2CCOC[C@@](O)(COc3ccccc3)C2)ccn1 585278776 VEFRTJMOFBCBNE-LJQANCHMSA-N 357.410 1.406 0 40 FCAB CC(C)(C)C(=O)Nc1cccc(C(=O)CC2(O)C(=O)NC(=O)NC2=O)c1 226795198 SGAJMUJTAGDUTR-UHFFFAOYSA-N 361.354 0.341 0 40 FCAB O=C(CN1CCC(c2csnn2)CC1)N1CCN(c2ncccn2)CC1 19403893 FJEWMQDNEBWDMY-UHFFFAOYSA-N 373.486 0.856 0 40 FCAB Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCN(c3ncccn3)CC1)CC2 225741209 GFGJTYHFBVQKLX-CYBMUJFWSA-N 354.414 0.024 0 40 FCAB COc1ccc(CN2CCO[C@@]3(COCC(=O)N(C)C3)C2)cc1OC 2037984102 QDQWRNSZQVRLAX-GOSISDBHSA-N 350.415 0.763 0 40 FCAB Cc1noc(CC(=O)N2CCc3c(COCC(=O)N(C)C)cncc3C2)n1 1565551417 FCINSHVKBOPEDE-UHFFFAOYSA-N 373.413 0.505 0 40 FCAB Cc1nnc2ccc(N3CCC[C@H](N(C)S(=O)(=O)C4CC4)C3)nn12 2086889507 KKFAFTKFKSJTNA-LBPRGKRZSA-N 350.448 0.826 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)CN2CC(=O)Oc3ccccc32)cc1 938303 HWXRVNIVVZSSLX-UHFFFAOYSA-N 361.379 0.698 0 40 FCAB Cc1cccc(Cn2c(SCC(N)=O)nc3c2c(=O)[nH]c(=O)n3C)c1 969702 NLJUNVIDUOQMDC-UHFFFAOYSA-N 359.411 0.357 0 40 FCAB CCn1ncc(C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@H]23)c1C 2747767 FIUJGVUMNGDCKC-IINYFYTJSA-N 350.400 0.584 0 40 FCAB biogenic,in-vitro CC(=O)NCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 3419891 RXBAFRLNQPQURN-OAHLLOKOSA-N 353.444 0.482 0 40 FCAB CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 4907714 CROQNQNYBPXMDZ-UHFFFAOYSA-N 369.443 0.562 0 40 FCAB COCCCn1c(C)cn2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 5144569 ZKTNUBNNMMTIOU-NSHDSACASA-N 361.402 0.644 0 40 FCAB CN(C)C(=O)CSCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 9500966 AFBBYGHZZUPFHM-UHFFFAOYSA-N 359.473 0.697 0 40 FCAB Cn1c(=O)c2c(nc(NCCN)n2Cc2cccc(Cl)c2)n(C)c1=O 13514472 DFPIWQAJMWXEAK-UHFFFAOYSA-N 362.821 0.506 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(F)c(F)c1F)c(=O)n2C 15002499 JYRBXZBJHUVQBV-UHFFFAOYSA-N 367.287 0.490 0 40 FCAB O=C(C[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](O)[C@H]1O)NC1CC1 15675312 OLKBUFNZMJNXEN-HDEZJCGLSA-N 354.834 0.588 0 40 FCAB biogenic,in-vitro CCn1cc(S(=O)(=O)N2C[C@H]3CN(C)CC[C@@]3(NC(C)=O)C2)c(C)n1 19713628 AOOQARNPWDRREE-GDBMZVCRSA-N 369.491 0.042 0 40 FCAB CN1CCN(CCCNC(=O)C(=O)Nc2cccc3nsnc23)CC1 22935485 IDVPPHXUFDHFBS-UHFFFAOYSA-N 362.459 0.384 0 40 FCAB C[C@H](C(=O)NC(N)=O)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 27297390 HKZGIHIDQVNZRK-SECBINFHSA-N 360.336 0.994 0 40 FCAB O=C(Cn1nnn(-c2cccs2)c1=O)N1CCN(c2ccccn2)CC1 36637020 OEBGRDXLUVXBRJ-UHFFFAOYSA-N 371.426 0.234 0 40 FCAB O=C(NC[C@]1(COc2cnccn2)C[C@H](O)[C@H](O)C1)c1ccc(F)cc1 107430460 OIOZJEBQQHISSD-JLVBRIDZSA-N 361.373 0.927 0 40 FCAB biogenic,in-vitro CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCNS(C)(=O)=O)ncn1 248136067 RSRICXBLQYVCBC-GFCCVEGCSA-N 355.464 0.077 0 40 FCAB O=C(Cn1nnc2ccccc21)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257265388 LYLLIOZSOBPPMH-IRXDYDNUSA-N 359.430 0.115 0 40 FCAB Cc1cc(O)nc([C@H]2CN(S(=O)(=O)c3cn(C)nc3C)CCO2)n1 257290665 QDVPWNJUCORYIR-LLVKDONJSA-N 353.404 0.295 0 40 FCAB CCn1ncc(S(=O)(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1C 257327145 XADRBDJDJPWNSG-IIAWOOMASA-N 356.492 0.820 0 40 FCAB CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCOC[C@@H](C3CCC3)C2)C1 332969027 ACKXHQJNRCXADO-ZFWWWQNUSA-N 359.492 0.726 0 40 FCAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)[C@H]1COc2ccccc2O1 585287908 HBLOFKFFPIZHOI-KFZJALRRSA-N 351.399 0.433 0 40 FCAB O=C(NCC1CCOCC1)[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H]2CCO[C@H]12 1565550421 CRNSEHGLYPGDGL-ZDGDKENJSA-N 364.442 0.038 0 40 FCAB COc1cccc(C(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)c1 1889116957 BDKCAIQIDRUDIT-UHFFFAOYSA-N 372.425 0.491 0 40 FCAB CNc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](N)[C@@H]3SC2)s1 2140696 SMMCOWGSFHSCMY-XNCJUZBTSA-N 359.458 0.253 0 40 FCAB biogenic N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1 4082322 DUPDHSHACBUKOR-IRXDYDNUSA-N 373.453 0.871 0 40 FCAB biogenic COCCN(CCOC)S(=O)(=O)CCNC(=O)c1ccc(F)cc1 4940991 XJCPFHVJYUYAOD-UHFFFAOYSA-N 362.423 0.480 0 40 FCAB CCc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 10205057 PSZZFVCUZPSQKK-UHFFFAOYSA-N 359.426 0.392 0 40 FCAB CC(=O)N[C@@]12CCN(C)C[C@@H]1CN(S(=O)(=O)c1ccc(C)c(F)c1)C2 19713407 NYPRWXRHWWZXER-RHSMWYFYSA-N 369.462 0.965 0 40 FCAB COc1ccc(OC)c(NC(=O)C[C@@H]2SC[C@@H](C(=O)O)NC2=O)c1 20635196 NSLBSQWNSLYGNH-JQWIXIFHSA-N 354.384 0.717 0 40 FCAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)c1 33363139 ULDBKDSMYPVENQ-UHFFFAOYSA-N 371.459 0.098 0 40 FCAB CS(=O)(=O)N1CCN(CCC(=O)Nc2ccnn2C2CCCC2)CC1 40025022 XXEKEDHYJIVPLF-UHFFFAOYSA-N 369.491 0.904 0 40 FCAB NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCCC2)cc1 58203294 KVGKJAGZYQJMEQ-OAHLLOKOSA-N 365.455 0.951 0 40 FCAB CNC(=O)NC(=O)CCN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 58227146 BBCVLKMKXDEBNF-OAHLLOKOSA-N 352.778 0.953 0 40 FCAB CC(C)c1ccn(C2(C(=O)O)CCN(c3cncc(C(N)=O)n3)CC2)n1 72421571 IIQCEQHFVWBVEG-UHFFFAOYSA-N 358.402 0.976 0 40 FCAB COC(=O)[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)[C@H](C)O 95945069 CGGUIEZYBCNFND-IINYFYTJSA-N 356.400 0.014 0 40 FCAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CC[C@H](S(C)(=O)=O)C1)CS2 96369614 PFBHDEUAGCLVJE-RYUDHWBXSA-N 371.484 0.543 0 40 FCAB O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H]1CCn2cncc2C1 153542195 CLLBKOLOAMEMKO-PLPKTUSISA-N 354.410 0.369 0 40 FCAB Cn1cc(CN2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)cn1 306142425 WZEKLWVTUAKFEG-KGLIPLIRSA-N 355.446 0.598 0 40 FCAB Cn1nc(C(=O)N2CCC[C@@H](n3cnc4ccccc4c3=O)C2)ccc1=O 575618487 WEOXDXVKKJWBBI-CYBMUJFWSA-N 365.393 0.968 0 40 FCAB CCCNC(=O)C[C@H]1C[C@H]2O[C@H](CNC(=O)NC3CCC3)[C@@H](O)[C@H]2O1 604381558 HPUBGOVXOLSIJW-DFMBRWPFSA-N 355.435 0.040 0 40 FCAB biogenic,in-vitro CS(=O)(=O)N1CCN(C(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)C1=O 1565523824 XTLJTAMXSPPBGC-RYUDHWBXSA-N 367.431 0.868 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCc2ncnc(-c3cccnc3)c2CC1 1565547607 QOVJRLVPMJLFIZ-UHFFFAOYSA-N 360.439 0.901 0 40 FCAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CCO2)C1=O 1565548857 KZEITCAXUFLSGH-SUFIHLRJSA-N 356.422 0.732 0 40 FCAB Cc1cc2c(cc1S(=O)(=O)N1CCN(C)[C@]3(CCOC3)C1)OCO2 1615588541 BWJCTOPPRQAGRY-MRXNPFEDSA-N 354.428 0.819 0 40 FCAB Cc1ccccc1OCC(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 3434419 KDZPJSMPKGYYIK-CYBMUJFWSA-N 355.412 0.563 0 40 FCAB COc1ccc(C(=O)CSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 4571013 DXFUEDSIAOCCJN-UHFFFAOYSA-N 374.422 0.954 0 40 FCAB CC1(C)Cc2c(sc(NC(=O)C(=O)NCCCO)c2C(=O)O)CO1 6719504 FIMXLSJQHNZZHB-UHFFFAOYSA-N 356.400 0.735 0 40 FCAB O=S1(=O)CC[C@H](NS(=O)(=O)c2ccccc2Br)C1 7308479 ASEWERZVEIVFFB-QMMMGPOBSA-N 354.247 0.915 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566909 VPIWAWDBIRRSNV-ZTENYAIWSA-N 357.410 0.709 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCCNC(=O)c1ccco1 24678196 RCANUARQLYNMPI-CYBMUJFWSA-N 371.459 0.720 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)CC(=O)Nc1cccc(F)c1 24678621 JWHKPXIZAAWJAK-UHFFFAOYSA-N 362.361 0.540 0 40 FCAB CCOC(=O)N1CCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 36438458 IRYCRMZQXOSHBW-UHFFFAOYSA-N 369.443 0.803 0 40 FCAB C[C@@H](C(=O)NCCS(=O)(=O)NCc1ccc(F)cc1)n1ccnc1 53415834 FPGRSDNBJZCIMO-LBPRGKRZSA-N 354.407 0.819 0 40 FCAB O=S(=O)(C1CC1)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 96229131 JLIDULQLQUVRPP-INIZCTEOSA-N 352.460 0.888 0 40 FCAB Cc1cc2ncc3c(n2n1)CCN(C(=O)Cn1cnc(C)c(C)c1=O)C3 208037528 PAGADRGHZSSOMG-UHFFFAOYSA-N 352.398 0.796 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)COC2CCCC2)Cc2ccnn21 247527625 NRXBYUFHNLXJCQ-CYBMUJFWSA-N 356.448 0.275 0 40 FCAB O=C(CO[C@H]1CSC2(C1)CN(C(=O)[C@H]1CCOC1)C2)N1CCCC1 575403011 HNJKWYKSTPWXNH-UONOGXRCSA-N 354.472 0.748 0 40 FCAB CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@H](CC)CO1 651992154 YBRGUGGCXOEADW-CHWSQXEVSA-N 369.443 0.840 0 40 FCAB CN(C)C(=O)[C@@H]1CC(=O)N(C2CN(c3ccc(C(F)(F)F)nn3)C2)C1 685940636 FASLTKNUGRTLLH-SECBINFHSA-N 357.336 0.621 0 40 FCAB C=CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 1165559475 PHMYOHZXSRTOHR-UHFFFAOYSA-N 366.443 0.375 0 40 FCAB O=C(CN1CCO[C@@H](C(=O)N2CCSCC2)C1)NCc1ccco1 2086868768 FGGUNBWDZQZADG-CQSZACIVSA-N 353.444 0.172 0 40 FCAB Cn1cc(-c2cncc(N3CCN(c4ncnc5n[nH]cc45)CC3)n2)cn1 2298112491 NIHNKSLLINSDDC-UHFFFAOYSA-N 362.401 0.870 0 40 FCAB Cn1cnnc1Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 1266723 PARQKRPKQYPLCC-UHFFFAOYSA-N 369.410 0.751 0 40 FCAB CC(C)CN1C(=O)C(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 3454416 KHAXZYROFRFTSZ-UHFFFAOYSA-N 361.354 0.478 0 40 FCAB CNC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3516826 BFJWRCHTSSKISJ-UHFFFAOYSA-N 366.377 0.938 0 40 FCAB CC(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)C(C)C 5937608 GSNHUZKVJYBXDP-CQSZACIVSA-N 373.500 0.742 0 40 FCAB O=C(Nc1cccnc1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 6923165 OVMOVQBYYRUSGB-ZFWWWQNUSA-N 365.386 0.983 0 40 FCAB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(N)=O 6960720 XAGDBCIGMDBYMB-UHFFFAOYSA-N 361.354 0.383 0 40 FCAB Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)cc1 8624284 YAMQUBBUCFJJKW-HDEZJCGLSA-N 350.415 0.129 0 40 FCAB biogenic,in-vitro CCc1nn(CC(=O)NCC[S@@](C)=O)c(=O)c2cc3ccsc3n12 12114303 MNYPMKBAKZWHLW-DEOSSOPVSA-N 366.468 0.768 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H](Cn3ccnc3)C2)cc1 12219561 DORZFGSZDPELDR-OAHLLOKOSA-N 364.427 0.931 0 40 FCAB CN1C(=O)[C@@H](NC(=O)C(=O)NC[C@H](O)c2ccccc2)c2ccccc21 13627167 PTKAWFPSNVPTMS-HOTGVXAUSA-N 353.378 0.670 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)N3c4ccccc4NC(=O)C3(C)C)cnc21 14021757 HKVFEAYJVKEVFI-UHFFFAOYSA-N 366.381 0.894 0 40 FCAB Cc1[nH]c2nc(C(=O)N3CCOCC3)nn2c(=O)c1Cc1ccccc1 100650744 XQUFAJNIDGNLJS-UHFFFAOYSA-N 353.382 0.789 0 40 FCAB Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)CN(C)S(C)(=O)=O)CC2)n1 244998681 KPJNDVPLZZIXPF-HDJSIYSDSA-N 370.475 0.791 0 40 FCAB O=C(O)[C@H]1CN(c2ncccn2)C[C@@H]2CN(Cc3ccoc3)CCN2C1 247374123 HUBPJPGTCZAOFD-CVEARBPZSA-N 357.414 0.777 0 40 FCAB CCc1nc([C@H]2CN(S(=O)(=O)c3cn(CC)c(C)n3)CCO2)n[nH]1 329159907 DLZYPLPQAOOSDR-LLVKDONJSA-N 354.436 0.654 0 40 FCAB O=C(NCC[C@@H]1CCOC12CN(S(=O)(=O)C(F)(F)F)C2)C1CC1 575404171 QDZCZNCLTYCUKH-SNVBAGLBSA-N 356.366 0.843 0 40 FCAB O=C(c1cnccn1)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585095844 PBUMPYMOPNRNRT-AWEZNQCLSA-N 356.386 0.814 0 40 FCAB CN(C)CC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 585284552 TXLHIEOXQLPHIQ-KRWDZBQOSA-N 353.394 0.239 0 40 FCAB COC(=O)c1ccc(F)c2c1CN(C(=O)c1nc(O)nc(O)c1N)CC2 600247819 JIEQQPFJXGOYJW-UHFFFAOYSA-N 362.317 0.594 0 40 FCAB Cc1cc(CN2CCN(C(=O)CN3CCCC[C@H](O)C3=O)CC2)on1 644285830 MNYIGRRZHFIHKF-HNNXBMFYSA-N 350.419 0.001 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@@H]2OCCN(CCN3CCCC3)[C@H]2CC1 1565550557 CTNWSDFUXOTXSP-XCDZQEORSA-N 363.502 0.666 0 40 FCAB Cc1cn2nc(C(=O)N3CCN[C@H](Cc4ccccc4)C3)cc2c(=O)[nH]1 1586883819 QVHONBNYRKABAL-OAHLLOKOSA-N 351.410 0.988 0 40 FCAB Cn1c(=O)c2c(nc(SCC(=O)NCc3ccccc3)n2C)n(C)c1=O 928637 AKLMOOCDWLNKSM-UHFFFAOYSA-N 373.438 0.379 0 40 FCAB O=c1[nH]cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)[nH]1 4270294 IFPCVTTWEIAVGG-UHFFFAOYSA-N 351.262 0.763 0 40 FCAB COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 5006686 BJEOEPAEFIUGSV-BJMVGYQFSA-N 350.327 0.778 0 40 FCAB CC(C)(O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1 8298074 VSUUBFYYBPZOGC-ZNMIVQPWSA-N 363.462 0.075 0 40 FCAB biogenic,in-vitro NC(=O)CSc1nnc(NC(=O)CSc2nnc(N)s2)s1 9227621 AQECJTKQLPLCKU-UHFFFAOYSA-N 363.475 0.280 0 40 FCAB Cn1c(=O)n(CC(N)=O)c(=O)c2c1nc1n2CCCN1c1ccc(F)cc1 12647600 YPHZRVQDIYPJRM-UHFFFAOYSA-N 372.360 0.063 0 40 FCAB Cc1nonc1CN(C)C(=O)Cn1cc(C(=O)NC2CCCC2)ccc1=O 19746302 IFJLQNIVVSICML-UHFFFAOYSA-N 373.413 0.871 0 40 FCAB O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)N1CCOCC1 19797431 IDGWWTISVZFMOG-UHFFFAOYSA-N 358.803 0.879 0 40 FCAB CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 38599894 BBFJZZWRXVVKEC-ZHCJQAHYSA-N 351.399 0.945 0 40 FCAB biogenic CNC(=O)NC(=O)CCN1CCN(C(=O)Cc2ccccc2Cl)CC1 58162824 CQLABNUPUPYUOB-UHFFFAOYSA-N 366.849 0.872 0 40 FCAB COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3ccncc3)C2)nn1 72324226 KXFPGMJAFZJDFO-CQSZACIVSA-N 372.429 0.602 0 40 FCAB CC1(C)C(NS(=O)(=O)C2CC2)C(C)(C)C1NS(=O)(=O)C1CC1 75109583 FSENMXOOGNNDEK-UHFFFAOYSA-N 350.506 0.953 0 40 FCAB O=C(NCCCOCCO)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 96003444 ZJDAZURSXRUYBB-OAHLLOKOSA-N 370.471 0.603 0 40 FCAB Cc1csc(CN2C[C@@H]3COC[C@]3(CNS(=O)(=O)C3CC3)C2)n1 96208056 RTWHUHZQJYGXKQ-DOMZBBRYSA-N 357.501 0.982 0 40 FCAB Cn1cc([C@@H]2CCN(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)cn1 127325097 NQEYPGBYBMYNIA-TZMCWYRMSA-N 355.464 0.343 0 40 FCAB O=C(Cn1ncccc1=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 238909487 SBZQJOFOXRVSBR-ZDUSSCGKSA-N 356.338 0.080 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cn2cccn2)CCN1C(C)=O 257292510 QLWZMKYURZLTGJ-KRWDZBQOSA-N 369.425 0.350 0 40 FCAB CO[C@@H]1CCC[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2C)[C@H]1O 257319396 VSGCHOGUBGLMIP-XNRPHZJLSA-N 372.443 0.066 0 40 FCAB O=C(Cn1ncccc1=O)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 575607871 PZRQDTGXULBVOT-VIFPVBQESA-N 356.308 0.276 0 40 FCAB O=C(O)CC1(N2CCOC[C@]3(C[C@@H](Cn4cnnc4)CO3)C2)CCC1 1565547729 RUMMNJLETCKPSX-YOEHRIQHSA-N 350.419 0.783 0 40 FCAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)[C@H]3[C@H]4COC[C@H]43)CC[C@@H]21 1565548429 CUNMUIVGLXYQHI-IAFLNBNSSA-N 359.430 0.008 0 40 FCAB O=C([C@H]1CN(c2ncnc3[nH]cnc23)CCO1)N1CCC(F)(F)CC1 2086860586 ZRBQUZTVYMKFFM-SNVBAGLBSA-N 352.345 0.816 0 40 FCAB CC(=O)NC(=S)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 1267262 BMOURYOMPNCUJZ-UHFFFAOYSA-N 356.473 0.601 0 40 FCAB CCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 4850479 QYUXPZJJHVXGCE-UHFFFAOYSA-N 374.484 0.849 0 40 FCAB CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(cnn3CCO)c2=O)c1 4940514 VWSMLLNEZXDSMF-UHFFFAOYSA-N 370.369 0.182 0 40 FCAB CC1(C)[C@@H](O)C[C@H]2[C@](C)(O)[C@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 5455931 BWMFRQKICHXLSH-BWQKAACZSA-N 370.486 0.168 0 40 FCAB CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 11610542 BKDSJXFZUYHAPQ-UHFFFAOYSA-N 361.427 0.811 0 40 FCAB Cn1nnc2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)ncnc21 13534367 UFIOQSDROOGXFO-UHFFFAOYSA-N 359.415 0.269 0 40 FCAB Cc1nnc(NC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)s1 14715561 FWZCBZAQNXOAHL-UHFFFAOYSA-N 363.403 0.013 0 40 FCAB CC(C)(C)NC(=O)CN1CCCN(CCn2nc3ccccn3c2=O)CC1 26908524 IKVYGPHNKKGYQG-UHFFFAOYSA-N 374.489 0.418 0 40 FCAB CCn1nc(C)c(CNC(=O)C(=O)N[C@@H]2C(=O)N(C)c3ccccc32)c1C 40287169 YQMXGSNQKPYPPQ-INIZCTEOSA-N 369.425 0.970 0 40 FCAB O=C(CN1CCC[C@@H]1C(=O)N1CCOCC1)N1CCc2ccccc2C1 54445721 KEEOMWQGHWSNBS-GOSISDBHSA-N 357.454 0.895 0 40 FCAB NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 57987886 QICXWGKCOSCECN-AWEZNQCLSA-N 362.407 0.833 0 40 FCAB Cc1ccccc1CNC(=O)CN1CCN(c2ncccc2C(N)=O)CC1 58156889 CTIYDPMBVZMESD-UHFFFAOYSA-N 367.453 0.927 0 40 FCAB CN1CCN(NC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)CC1 77100467 NRXPTAAOUWFJTR-UHFFFAOYSA-N 371.323 0.453 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(C(C)=O)CCN(C(=O)C1CCOCC1)C2 96036162 IYBJTULCHAPFLC-SFHVURJKSA-N 351.447 0.342 0 40 FCAB CN1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CCN3CC3CCOCC3)O2)CC1 96057512 NMEAZSCRZZPGBX-KZNAEPCWSA-N 351.491 0.809 0 40 FCAB COc1cc(N2C[C@H]3OCCN(C(=O)c4cnn(C)c4)C[C@H]3C2)ncn1 96108086 KTZCIQGMALWDAR-UONOGXRCSA-N 358.402 0.196 0 40 FCAB CN1CCN(C(=O)[C@@H]2C[C@H]3CN(C(=O)NCc4ccccc4)C[C@H]2O3)CC1 107264406 OURPYYAAKXXKEO-RCCFBDPRSA-N 372.469 0.760 0 40 FCAB CC(C)NC(=S)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1 225888318 YBJVNKMBRLQFKW-UHFFFAOYSA-N 366.491 0.845 0 40 FCAB CCCNC(=O)CNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245237821 YDKFYPSOAIEBDW-KFWWJZLASA-N 363.458 0.995 0 40 FCAB NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)CC1 252488085 IIZVFZOQJTWNLI-UHFFFAOYSA-N 365.455 0.809 0 40 FCAB COC1CCN(c2ccc(C(=O)N3CC(N4C(=O)CNC4=O)C3)cc2)CC1 253472560 NNMDHSWLUCFXIA-UHFFFAOYSA-N 372.425 0.678 0 40 FCAB CNc1nccnc1[C@H]1CN(C(=O)CN(C)Cc2cccnc2)CCO1 257301804 RZYSEGSTRKNHGN-OAHLLOKOSA-N 356.430 0.945 0 40 FCAB CSC[C@H](C)C(=O)N1CCC(C(=O)NC[C@H]2CN3CCN2CC3)CC1 507884927 JUNNTGFIETUHBI-HOCLYGCPSA-N 368.547 0.340 0 40 FCAB CC(C)S(=O)(=O)N1Cc2cncn2[C@@H](C(=O)NCc2ccco2)C1 575403458 LCYZFLHLXIJWND-CQSZACIVSA-N 352.416 0.887 0 40 FCAB CC(C)CC(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NCC1CCOCC1)CO2 575405953 VHYRHWBCWAINOE-MRXNPFEDSA-N 367.490 0.487 0 40 FCAB CN1CC[C@@H]2OCCN(C(=O)CCCS(=O)(=O)N3CCCC3)[C@H]2C1 671520172 GOACVAJUNGRQSI-GJZGRUSLSA-N 359.492 0.124 0 40 FCAB O=C1COCC(=O)N1C1CCN(S(=O)(=O)CCc2ccccc2)CC1 675008350 TYIQPSMBBUZHPI-UHFFFAOYSA-N 366.439 0.409 0 40 FCAB CC(=O)N1CCc2cc(C(=O)N[C@H]3COC[C@H]3Oc3cn[nH]c3)ccc21 685942180 NYNHAKWLKROLRR-DOTOQJQBSA-N 356.382 0.895 0 40 FCAB CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC2(CC1)NC(=O)CO2 1615588990 FCQGREYESJDUCO-ZFWWWQNUSA-N 366.462 0.672 0 40 FCAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(Cc2cncn2C)CC1 1772595217 CSOOLOFUCHDYEL-GOSISDBHSA-N 372.517 0.580 0 40 FCAB Cc1cnc(N(C)[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1 1889149121 QUOYRAJPQCRSBB-ZDUSSCGKSA-N 350.448 0.808 0 40 FCAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1 803546 QUWFYPRYUVGMHY-UHFFFAOYSA-N 362.411 0.759 0 40 FCAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCn1nnc3ccccc3c1=O)CS2 3364626 RCJLBWOLCLQXSU-BLLLJJGKSA-N 360.395 0.746 0 40 FCAB Cc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCOCC4)cnc32)c1 5056902 NNGYZIWDYRBIFU-UHFFFAOYSA-N 354.370 0.144 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)/C=C/c2ccc(F)cc2)c(=O)n(C)c1=O 5944259 LYHJUNHJXOHRNT-VMPITWQZSA-N 361.329 0.245 0 40 FCAB COc1ccccc1C1(O)CCN(Cc2c(C)n(C)c(=O)n(C)c2=O)CC1 12292873 NIMBVCAYOWZTDJ-UHFFFAOYSA-N 373.453 0.885 0 40 FCAB O=C(NCCc1nc2ccccc2[nH]1)C1=CN2CCS(=O)(=O)N=C2C=C1 12822911 VFBTXZCSBQWCRA-UHFFFAOYSA-N 371.422 0.719 0 40 FCAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)N1CCOCC1 12904032 RZZKXBOOPCXWHW-CYBMUJFWSA-N 370.427 0.146 0 40 FCAB C[C@@H](O)[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(Cl)cc3)CCN2C1=O 14534951 URTSKTZPDXEVML-WQAKAFBOSA-N 367.789 0.231 0 40 FCAB COC(=O)[C@@H]1C=CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 19462230 JOCHPBPCYIFMJN-CABZTGNLSA-N 352.368 0.508 0 40 FCAB CN1CCN(CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 22822122 XSENFTSEAHRFGQ-UHFFFAOYSA-N 354.476 0.425 0 40 FCAB C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O 31160157 DNDACVRMGDHDQY-QWRGUYRKSA-N 369.370 0.026 0 40 FCAB biogenic,in-vitro CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(N2CCCS2(=O)=O)cc1 32907834 DDUGXEKCXVQZHW-LLVKDONJSA-N 354.432 0.873 0 40 FCAB COC[C@H](C)NC(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 36387078 TYXARVJCXSHJKP-BWACUDIHSA-N 369.418 0.181 0 40 FCAB CCN1CCC[C@@H]1CNC(=O)c1nc(COc2ccccc2C(N)=O)no1 40267703 WRVQZLLFDABGTD-GFCCVEGCSA-N 373.413 0.962 0 40 FCAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCCCn1ccnc1 57423208 CLAWURGUGLMLDG-AWEZNQCLSA-N 357.480 0.777 0 40 FCAB C[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1nnc2n1CCCCC2 58344287 PDLZDHQLKVCEMA-LBPRGKRZSA-N 362.434 0.856 0 40 FCAB CCNC(=O)c1cc(N2CCC(NC(=O)c3cnn(C)c3)CC2)ccn1 95956597 RZMFUNVOVATZBC-UHFFFAOYSA-N 356.430 0.964 0 40 FCAB CCNC(=O)NC[C@H]1COCc2nc3cc(S(C)(=O)=O)ccc3n21 96112571 LXZSLIUHCOTTMP-JTQLQIEISA-N 352.416 0.830 0 40 FCAB biogenic,in-vitro CC(C)NC(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 96156287 HMCVOWKEARWVQV-LLVKDONJSA-N 351.432 0.616 0 40 FCAB Cn1c(=O)[nH]c2ccc(S(=O)(=O)NC[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2c1=O 101640031 YUNKCEKGCVMCMF-UTUOFQBUSA-N 363.439 0.941 0 40 FCAB O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5C=C43)[C@@H]2C1=O 170612436 DZZSDUMZGMILBC-WCDLPEBPSA-N 364.404 0.630 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2ccn(C)n2)CCN1CCc1ccccc1 257274685 NMBZJYAMKOBISN-QGZVFWFLSA-N 355.442 0.535 0 40 FCAB CCCn1ccnc1CN1CCOC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257275875 NRIPQEQNLWPSOO-GFCCVEGCSA-N 353.448 0.993 0 40 FCAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3coc(C)n3)[C@H]2O)CC1 257323419 WKBINLGMHREBHY-FVQBIDKESA-N 350.419 0.159 0 40 FCAB COc1ccc(NC(=O)N[C@@H]2CCCN(C)C2=O)c(S(C)(=O)=O)c1 529116283 LZYKCOQRIRERHU-GFCCVEGCSA-N 355.416 0.841 0 40 FCAB O=C(N[C@H](c1ccccc1)c1nn[nH]n1)[C@@H]1OCC[C@@H]1Cn1ccnc1 621709260 POGWRBNZVAGFHM-RBSFLKMASA-N 353.386 0.707 0 40 FCAB COCCN1C[C@H]2C(=O)N(C)C3(CCN(C(=O)c4cc[nH]c4)CC3)[C@H]2C1 1565546517 FNCZJARMVKUHJX-CVEARBPZSA-N 360.458 0.656 0 40 FCAB C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)NC(N)=O 3366481 JXFZTNRRKSVJQR-ZCFIWIBFSA-N 372.357 0.936 0 40 FCAB CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 4504839 PIXOYOBFUFNKQK-CYBMUJFWSA-N 374.484 0.586 0 40 FCAB CC(=O)NCc1ccc(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1 6607902 FWMYEOFJDKEFKE-UHFFFAOYSA-N 359.382 0.952 0 40 FCAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(F)c1 9827343 DVXREOWABITSFM-UHFFFAOYSA-N 352.391 0.991 0 40 FCAB CCOC(=O)c1nc2[nH]c(CSc3nnc(N)s3)cc(=O)n2n1 10157035 SFSUDEVSGWTRFQ-UHFFFAOYSA-N 353.389 0.320 0 40 FCAB Cc1ccsc1CN(C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 20803399 DNFMYQBLWPSWQQ-JTQLQIEISA-N 350.444 0.739 0 40 FCAB COC[C@@H](C)NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 32738687 TYXARVJCXSHJKP-JKDFXYPNSA-N 369.418 0.181 0 40 FCAB COC(=O)[C@H](C)NC(=O)c1nc(COc2ccccc2NC(C)=O)no1 36354617 RFPWAPKWXMCXCM-VIFPVBQESA-N 362.342 0.898 0 40 FCAB CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CN2CCOCC2)cc1 40110375 SRBBQWYQNZHDLL-ZDUSSCGKSA-N 355.460 0.435 0 40 FCAB C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)C(=O)N(C)C 40121205 HUXFDBFJHSCCJW-TZMCWYRMSA-N 353.444 0.433 0 40 FCAB COC(=O)c1ccc(NC(=O)CCN2C(=O)c3nccnc3C2=O)cc1 72402531 HQDJBQNSFKGFHK-UHFFFAOYSA-N 354.322 0.888 0 40 FCAB CN(C)C(=O)COC1CN(S(=O)(=O)c2cccc(Cl)c2F)C1 75107127 XWWKGTWZTWIYHV-UHFFFAOYSA-N 350.799 0.957 0 40 FCAB O=C(Cc1ccccc1Cl)N1CCN(C[C@H](O)COCCO)CC1 84502365 OSIXTWXLWHUFSI-HNNXBMFYSA-N 356.850 0.397 0 40 FCAB CCOC(=O)c1cnc(C(=O)NCCCNS(C)(=O)=O)c(Cl)c1 84798482 PQCRNKICJIWAHT-UHFFFAOYSA-N 363.823 0.581 0 40 FCAB CCNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)C1 92843850 QIAIJQORNGSHRG-YOEHRIQHSA-N 365.499 0.973 0 40 FCAB COC(=O)[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)[C@@H](C)O 95945070 CGGUIEZYBCNFND-QMTHXVAHSA-N 356.400 0.014 0 40 FCAB CN1CCCN(Cc2nc(CC(N)=O)nn2-c2ccc3c(c2)OCO3)CC1 96141016 JAZASGBIDBTSOW-UHFFFAOYSA-N 372.429 0.161 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)c2cscn2)Cc2ccnn2C1 247526523 NIKLMGGTVBBCPL-SNVBAGLBSA-N 355.445 0.161 0 40 FCAB CNC(=O)C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn21 247963524 RLPKZFZKVHHIHS-CQSZACIVSA-N 356.382 0.874 0 40 FCAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H]1C=CS(=O)(=O)C1 575426351 RTVJRYHZKCUMBC-NSHDSACASA-N 360.413 0.243 0 40 FCAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2ccnn21 585111512 CJPNUSIJDNEYCF-CYBMUJFWSA-N 366.447 0.115 0 40 FCAB CC(C)CNC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 607294838 ICNLBHCRCWYHIL-KBPBESRZSA-N 359.492 0.615 0 40 FCAB O=C(O)CC1(N2CCOC[C@@]3(C[C@H](Cn4cnnc4)CO3)C2)CCC1 1565547727 RUMMNJLETCKPSX-RHSMWYFYSA-N 350.419 0.783 0 40 FCAB Cc1ncnc(C(=O)N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)c1C 1565554550 VAOZDWAIRPXDBC-UHFFFAOYSA-N 350.444 0.734 0 40 FCAB O=C(CN1CCOCC1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615154647 GISRBYPMUCOHBG-HXUWFJFHSA-N 373.453 0.743 0 40 FCAB Cc1cc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)n2ncnc2n1 2086889454 DATHCJXCPVVYTI-LBPRGKRZSA-N 350.448 0.826 0 40 FCAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccco2)c1 3525618 CQCYABAVYVAHJQ-UHFFFAOYSA-N 352.368 0.661 0 40 FCAB COC(=O)c1nnn(CC(=O)Nc2ccc(C)c(F)c2)c1C(=O)OC 3906893 GZBBBMGAAODKCJ-UHFFFAOYSA-N 350.306 0.938 0 40 FCAB CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@]1(C)CCS(=O)(=O)C1 4505160 PGWHJKMPOZAFFZ-HNNXBMFYSA-N 374.484 0.586 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 6829064 SBJNMSCTFMWMOU-DHMWGJHJSA-N 366.439 0.740 0 40 FCAB O=C(C1CC1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12409563 SDWZOHAVFFWRDN-UHFFFAOYSA-N 352.441 0.934 0 40 FCAB NC(=S)N1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)CC1 32933568 RTTQQMDJSUIKHP-VOTSOKGWSA-N 356.455 0.727 0 40 FCAB Cc1noc(C)c1CCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 43059105 MIIPDFRGHCIZRD-LBPRGKRZSA-N 357.432 0.034 0 40 FCAB COc1ccc(CNC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1 45636214 KBLOJAXXRDFLDY-HZPDHXFCSA-N 364.446 0.627 0 40 FCAB COc1cc2c(cc1OC)CN(C(=O)c1cn(CC(=O)N(C)C)nn1)CC2 56970709 QUYDIGJGDYBHAG-UHFFFAOYSA-N 373.413 0.582 0 40 FCAB CC(C)N1CCC[C@@H](CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 58210197 QAQKLCHOGXFHMM-AWEZNQCLSA-N 358.442 0.926 0 40 FCAB CCc1cc(=O)n2nc(Nc3cnn(CC(=O)NC4CC4)c3)sc2n1 69581713 WBTNGCRCIIKSBV-UHFFFAOYSA-N 359.415 0.932 0 40 FCAB O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 85469167 HLTHMYHYLYNXAR-YODMDTAWSA-N 352.818 0.941 0 40 FCAB COc1ccc2c(C)c(CCC(=O)N3CCOC[C@H]3C(N)=O)c(=O)oc2c1 95455917 PRLCXRRPEXGDKX-HNNXBMFYSA-N 374.393 0.755 0 40 FCAB CCN1CCC[C@H]1CNC(=O)Cn1ccc2c(cnc3ccnn32)c1=O 95477651 OVNHVGZJGBURRN-ZDUSSCGKSA-N 354.414 0.645 0 40 FCAB C1CC(CN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)CCO1 107739715 WOAXGXKXARUTDS-RTBURBONSA-N 354.491 0.995 0 40 FCAB CCN1CCN(C(=O)CN(Cc2ccccc2F)S(C)(=O)=O)CC1 225405084 YRGAGJISUMHHRH-UHFFFAOYSA-N 357.451 0.751 0 40 FCAB Cc1cc(CNS(=O)(=O)c2ccc(OCC(N)=O)c(Cl)c2)n(C)n1 226744413 VOCDXXDRJGMOPH-UHFFFAOYSA-N 372.834 0.725 0 40 FCAB CN(C)[C@H]1CC2(CCN(Cc3cnc(O)nc3O)CC2)OC[C@]1(C)O 257210587 BVGQBSRBZYMFJZ-BBRMVZONSA-N 352.435 0.324 0 40 FCAB CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257318648 VOWGFTOSFOQODH-ZBFHGGJFSA-N 359.417 0.692 0 40 FCAB O=C(NC[C@]1(O)CCCN(c2ncccn2)C1)c1n[nH]c2c1CCCC2 257343205 ZRXBAHGNEZUDOV-GOSISDBHSA-N 356.430 0.840 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)Cn2c(C)cc3ccccc32)CCN1C(C)=O 257345079 ZZWQMUOEWMSTQU-QGZVFWFLSA-N 356.426 0.755 0 40 FCAB COC(=O)COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1 264189822 NWLIWBNKWCNWNR-UHFFFAOYSA-N 353.400 0.804 0 40 FCAB Cc1c(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cnn1C 408483872 MUGVVDMRHDSVAS-LBPRGKRZSA-N 368.459 0.715 0 40 FCAB CN1CC[C@H](N2CCC(NC(=O)c3c[nH]nc3-c3cnn(C)c3)CC2)C1=O 575983199 YVPBAAQQHQMNGY-HNNXBMFYSA-N 371.445 0.235 0 40 FCAB COCc1cc(NC(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)ncn1 585088658 HBNCGUCIWSMHFJ-MRXNPFEDSA-N 351.407 0.460 0 40 FCAB COCCOc1cc(CN2C[C@@H](O)[C@H](N3CCOCC3)C2)ccc1OC 585269914 PUAPWWSNVDKLNE-IAGOWNOFSA-N 366.458 0.598 0 40 FCAB CN(C1CCN(C(=O)/C=C/c2ccco2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O 585288192 QPPMKBXQDRVLLP-LFYVNMEBSA-N 350.415 0.336 0 40 FCAB COC(=O)[C@H]1c2ccccc2CCN1Cc1cc(=O)n2[nH]c(=N)[nH]c2n1 598599083 YJQQMNOWOKPXEG-CQSZACIVSA-N 354.370 0.103 0 40 FCAB CC(=O)N1CCC(N[C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(C)n2)CC1 604382623 VHNZBIBWORJBHU-NCXUSEDFSA-N 362.474 0.286 0 40 FCAB biogenic,in-vitro Cn1cc(O[C@@H]2CN(Cc3ccccc3N3CCOCC3)C[C@H]2O)cn1 628376176 IYUBNGBSUSDUAV-RTBURBONSA-N 358.442 0.881 0 40 FCAB Cn1c(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)cc(=O)n(C)c1=O 685940316 DMFKDEAFUJKILM-SGTLLEGYSA-N 357.414 0.903 0 40 FCAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1=O 1565549540 ZEYUDCXMEJMZAP-RDTXWAMCSA-N 355.398 0.282 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NC[C@]2(O)CCCc3occc32)CC1 1888857163 YPQZRFBKUCPNLM-MRXNPFEDSA-N 356.444 0.591 0 40 FCAB CCc1nc(N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)nc(O)c1F 1888901069 WEGDYQICVNJJGV-PHIMTYICSA-N 370.392 0.894 0 40 FCAB Cc1cnc(C(=O)N[C@@H]2CCc3onc(CN4CCOCC4)c3C2)cn1 2055732752 YUSUUPLGOHEBQX-CYBMUJFWSA-N 357.414 0.893 0 40 FCAB CNc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](N)[C@H]3SC2)s1 3151494 SMMCOWGSFHSCMY-YLWLKBPMSA-N 359.458 0.253 0 40 FCAB biogenic CC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 5937240 SFNXSMMSJDSFMG-UHFFFAOYSA-N 357.407 0.185 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)C(=O)O)C2)cc1 6645529 MULMVAYHPYDXBR-RYUDHWBXSA-N 370.427 0.685 0 40 FCAB CCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7308662 LVBRASJHRPADSE-UHFFFAOYSA-N 362.473 0.786 0 40 FCAB C[C@H](O)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1 7425704 HESHXOGHSVJDMX-NSHDSACASA-N 359.386 0.295 0 40 FCAB Cc1ccc(OCC(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1C 7803856 JLNGUSUPQKENCU-AWEZNQCLSA-N 369.439 0.871 0 40 FCAB C[C@H]1CCCC[C@@H]1NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 8281662 TZMNHDOYKDBYIN-STQMWFEESA-N 361.446 0.909 0 40 FCAB CCOC(=O)Cc1nnc(S[C@@H](C)C(=O)NC(=O)NC(C)C)n1C 8745625 ZJBKHOHJCCYYMW-VIFPVBQESA-N 357.436 0.636 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC1 10112702 SCTYDXIMIYQHPQ-UHFFFAOYSA-N 355.416 0.972 0 40 FCAB CCn1cc([C@H]2C[C@H](C(=O)NC3CCCC3)N(C)S(=O)(=O)N2)c(C)n1 12130534 OZUFSLOEIGIFSJ-HUUCEWRRSA-N 369.491 0.850 0 40 FCAB CC(C)[C@H](NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3)C(=O)O 12901943 CSLGMNNOYXEPFM-INIZCTEOSA-N 359.382 0.947 0 40 FCAB biogenic COc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1 15701286 NLIYBWYDGNBPDC-UHFFFAOYSA-N 355.398 0.564 0 40 FCAB Cc1nccn1CCC(=O)N1CCCC[C@@H]1CCNS(=O)(=O)N(C)C 19745805 FRTRXGJKMUWTAL-OAHLLOKOSA-N 371.507 0.749 0 40 FCAB NC(=O)NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399787 JRGYTNHECSMVKX-QMMMGPOBSA-N 360.305 0.273 0 40 FCAB Cc1nc(-c2ccc(N3CCN(C(=O)Cn4cccn4)CC3)nc2)no1 85436347 HCPQIAXMHXOKKZ-UHFFFAOYSA-N 353.386 0.985 0 40 FCAB COc1ccc(C(=O)N2CCN(C(=O)N(C)C)C[C@@]3(CNC(=O)C3)C2)cc1 96143333 RCYQFLKUWXPYEV-IBGZPJMESA-N 374.441 0.641 0 40 FCAB C[C@]1(NC(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)CCS(=O)(=O)C1 103138077 TUZALUZPRVSZHO-PRXAMGSTSA-N 371.455 0.618 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)Cc2cccs2)Cc2ccnn21 247538484 RISGQRXNEMRZQC-GFCCVEGCSA-N 354.457 0.620 0 40 FCAB O=C(c1ccncc1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 247808556 CUZGVMXGEKBXNG-CQSZACIVSA-N 374.422 0.580 0 40 FCAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCCCO)cc2)CC1 408612037 YAFLBZTZJLATAG-UHFFFAOYSA-N 370.471 0.985 0 40 FCAB CCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(C(C)C)cc1 575421045 GJVJOTVBXCPUPQ-GJZGRUSLSA-N 361.485 0.979 0 40 FCAB C[C@@H]1C[C@@H](C)N(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)C[C@@H]1CN 584285866 ASLMSWBRMVQNJM-UTUOFQBUSA-N 361.446 0.021 0 40 FCAB CC(C)N(CCO)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O 585283715 GXXKCRCHMPPJQU-WMZOPIPTSA-N 370.877 0.981 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1cncc(OC(C)C)c1 625260006 PSVFMBHEIXOKFP-MRXNPFEDSA-N 371.459 0.785 0 40 FCAB Cc1cc(C(=O)N2CCN(c3nncn3C)CC2)cc(C)c1OCC(=O)O 656247288 GXZKFVLBWYDCQT-UHFFFAOYSA-N 373.413 0.858 0 40 FCAB C[C@](NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)(C(=O)O)c1ccccc1 663142511 VQKJMRWTWYUWOI-ZLNQZCDKSA-N 372.377 0.265 0 40 FCAB CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1CCN(c2ccncc2)C1 1641834726 WXCMUEAJSMMDBI-LBPRGKRZSA-N 353.386 0.298 0 40 FCAB CN(C)c1cc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)ncn1 1889139361 HTCOEVOKUMAHOR-UHFFFAOYSA-N 351.418 0.845 0 40 FCAB Cc1ccc(N2CCC(C(=O)N=c3ccn(C)[nH]3)(n3cccn3)CC2)nn1 2055771900 HIYVVVCSPSDEPP-UHFFFAOYSA-N 366.429 0.771 0 40 FCAB Cn1cccc(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)c1=O 2055795896 QRAUWGVZXBSBJB-INIZCTEOSA-N 373.453 0.780 0 40 FCAB Cc1cc(=O)oc(C)c1C(=O)NCCNC(=O)c1c(C)cc(=O)oc1C 2296501 KYSRCGQTYOEBMG-UHFFFAOYSA-N 360.366 0.986 0 40 FCAB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)NC1=S 8107067 XTEPUPJBLGYXOO-YHYXMXQVSA-N 366.395 0.943 0 40 FCAB CCCn1c(SCC(=O)N2CCN(C(=O)OCC)CC2)n[nH]c1=O 8883618 XYWPDBIOEZPBPE-UHFFFAOYSA-N 357.436 0.374 0 40 FCAB CCc1cnc2c(c1N1CCC(C(=O)OC)CC1)c(=O)n(C)c(=O)n2C 12226922 ORNOVLCWUXPHDR-UHFFFAOYSA-N 360.414 0.584 0 40 FCAB NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c1 13367093 LCHYGHZVMJXTDV-UHFFFAOYSA-N 374.371 0.972 0 40 FCAB COC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 16576518 FHUNBLVGMIUWBN-LLVKDONJSA-N 360.432 0.475 0 40 FCAB O=C(NCCn1nnn(-c2ccccc2)c1=O)c1ccc2c(c1)OCCO2 19374416 XFXYLSDZICKTPB-UHFFFAOYSA-N 367.365 0.630 0 40 FCAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)CN2CCOCC2)CC1 19573636 VOKMUSSQQSNNPC-UHFFFAOYSA-N 367.471 0.523 0 40 FCAB CN(CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](NCc2ccco2)[C@H]2CO[C@@H]1O2 20464009 YGCBRLAVVBDFGT-IEWDOMPSSA-N 359.426 0.792 0 40 FCAB biogenic,in-vitro CCOC(=O)N1CCN(C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1 23224759 GLFYCHIGHLLKDQ-HNNXBMFYSA-N 366.414 0.987 0 40 FCAB CC(C)NC(=O)CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 23926480 OSLYAXUGEJRBNS-UHFFFAOYSA-N 370.427 0.262 0 40 FCAB O=C(CSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCS(=O)(=O)C1 30831801 JBWOSFKMOBPCAJ-VIFPVBQESA-N 353.425 0.319 0 40 FCAB COC(=O)c1ccc2c(c1)-n1nnnc1[C@@]1(CCOC(C)(C)C1)NC2=O 35615813 YSOMEMAEJDPKDI-KRWDZBQOSA-N 357.370 0.977 0 40 FCAB C[C@@H](C(=O)NCCSc1nncn1C)n1nnc2ccccc2c1=O 44225905 SHDWQVQRBNREJB-JTQLQIEISA-N 359.415 0.390 0 40 FCAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 48250619 FZGMZPPKNSPWCX-CYBMUJFWSA-N 368.459 0.405 0 40 FCAB CSCC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58180688 XYPAEYQQZDHOCX-UHFFFAOYSA-N 354.457 0.759 0 40 FCAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(CCn2ccnc2)CC1 75157994 OXOSTFDDRNFLGS-UHFFFAOYSA-N 352.402 0.317 0 40 FCAB C[C@@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C 76089394 UUOUAPZJPRVFDB-CHWSQXEVSA-N 367.471 0.781 0 40 FCAB Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 81073649 AFPFZXGMGGIKOY-ZDUSSCGKSA-N 361.431 0.990 0 40 FCAB CNC(=O)[C@@]12CCC3(CCN(C(=O)N(C)C)CC3)[C@@H]1CN(C(C)=O)C2 96036277 HWEHLRLCEPRSGT-KBXCAEBGSA-N 350.463 0.755 0 40 FCAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O 222967195 PDDZBDNZCVEFTD-LBPRGKRZSA-N 371.459 0.050 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)COc2ccccc2)Cc2cncn21 247522126 LTNHMRXMOVZZIO-CQSZACIVSA-N 364.427 0.395 0 40 FCAB CN(C)c1nccnc1[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)CCO1 257200569 ADVNSROUHVGBRR-NSHDSACASA-N 352.420 0.038 0 40 FCAB Cc1ncsc1C(=O)N1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 257231864 GILSDBDQUZWIKN-FZMZJTMJSA-N 359.473 0.453 0 40 FCAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)COc1cccnc1 257250670 JNMJZAVYZYVIJZ-SFHVURJKSA-N 357.414 0.740 0 40 FCAB CC(=O)N1CCN(C(=O)CCn2c(C)cc3ccccc32)C[C@@H]1C(N)=O 257254735 KELGGBUYPRRBCV-QGZVFWFLSA-N 356.426 0.884 0 40 FCAB Cc1nnnn1-c1cccc(NS(=O)(=O)c2cnn3c2OCCC3)c1 647921881 ULMGHEVTMWXEPT-UHFFFAOYSA-N 361.387 0.751 0 40 FCAB O=c1nc(O)c(I)cn1[C@@H]1OC(CO)=C(O)[C@@H]1F 1560406282 ZFIQTNSAOPOWTO-YLWLKBPMSA-N 370.074 0.182 0 40 FCAB O=C(CCc1cncnc1)N1CCOC[C@@]2(C[C@H](Cn3cnnc3)CO2)C1 1565552783 XDWCABQLAGHYLH-SJLPKXTDSA-N 372.429 0.335 0 40 FCAB COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 4103638 HJRQKNLDSBQJTH-UHFFFAOYSA-N 357.414 0.849 0 40 FCAB COCCNC(=O)C(=O)NC[C@H]1OCCN1C(=O)c1ccc(Cl)cc1 4337123 ZFVNSHDEZHEZCC-CYBMUJFWSA-N 369.805 0.017 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)[C@H]2C)cc1 4999017 VGIAHUGABXHGNG-CYBMUJFWSA-N 369.443 0.800 0 40 FCAB COC(=O)C1CCN(c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1 6998576 SWOUZICZCYOAGJ-UHFFFAOYSA-N 358.398 0.557 0 40 FCAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(=O)n(C)n1 7942633 IUKQTULFZSAIAZ-UHFFFAOYSA-N 369.381 0.306 0 40 FCAB COC(=O)C1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 8939079 QAWNYPMBHMZPHI-KPZWWZAWSA-N 365.430 0.899 0 40 FCAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCC[C@H](C)C2)n1 9037126 BTKWPVSZHOQSBW-JTQLQIEISA-N 358.402 0.769 0 40 FCAB O=C(Cn1cnc2sccc2c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 9376811 VAXJVNAMAGSFLZ-LLVKDONJSA-N 367.452 0.636 0 40 FCAB NC(=O)[C@H]1CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)c2ccccc2O1 9614125 OVNLZIYBXOPWCA-MRXNPFEDSA-N 364.361 0.745 0 40 FCAB COc1ccc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)c(OC)c1 10111391 NHFQNYNJUUCTCX-UHFFFAOYSA-N 373.475 0.538 0 40 FCAB Nn1c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nnc1-c1cccs1 12541362 QSYVKGXOCGKKCB-QMMMGPOBSA-N 373.485 0.116 0 40 FCAB CCOC(=O)N1CCN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 13688731 YEHFGVPYXVIHBT-OKILXGFUSA-N 363.414 0.628 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)c1cnn(-c2ccc(F)cc2)c1N 19021330 WQMKNIMXRMTZCD-OAHLLOKOSA-N 373.388 0.903 0 40 FCAB Cc1cc(CN(C)C(=O)Cn2cccc(C(=O)NCC3CC3)c2=O)n[nH]1 19750007 KZUPSXQMYPVNHY-UHFFFAOYSA-N 357.414 0.678 0 40 FCAB O=C(O)CNC(=O)CNC(=O)Cc1csc(-c2ccccc2F)n1 20724652 IQTRRXBQSPMMHC-UHFFFAOYSA-N 351.359 0.809 0 40 FCAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C[C@@H](O)CO)CC2)c1C 23653323 CRXQWMITTIFRMC-MRXNPFEDSA-N 356.488 0.580 0 40 FCAB Cc1ccnc2nc(C(=O)NCc3cccc(NS(C)(=O)=O)c3)nn12 25239686 NDVYVMMQCXRKLD-UHFFFAOYSA-N 360.399 0.734 0 40 FCAB Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)CC[C@@H]1NC(=O)NC1=O 25385478 ILWJAXUSACUZQF-ONGXEEELSA-N 351.334 0.993 0 40 FCAB CCN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)Cc1ccc2c(c1)OCO2 32836250 NZPXMIVWALKDIS-QGZVFWFLSA-N 368.455 0.931 0 40 FCAB CC/C=C\C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)CC[C@@H]1CC(=O)O 35465107 GJZJZRWFRZFTEE-DAIOTASYSA-N 374.430 0.029 0 40 FCAB biogenic,in-vitro C[C@H]1CN(S(=O)(=O)CCn2c(=O)[nH]c3ccccc3c2=O)C[C@H](C)O1 46565001 QBOPASWNIPPDCN-RYUDHWBXSA-N 367.427 0.129 0 40 FCAB COC(=O)c1cc(Cl)ccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 48235327 QTASISXJYTVZMI-JTQLQIEISA-N 361.803 0.809 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CC1 69923614 SZGWHDJRDNPWHG-CABCVRRESA-N 369.491 0.254 0 40 FCAB Cc1nccn1-c1cncc([C@H]2CCCN2C(=O)CN2CCOCC2)n1 72378542 WNXCENQAYPJDKT-MRXNPFEDSA-N 356.430 0.966 0 40 FCAB CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cn1ncc2ccccc21 79094039 GGNWFNCDQSEXGP-GXTWGEPZSA-N 350.444 0.870 0 40 FCAB O=C(CCn1ccc(=O)[nH]c1=O)N1CC(c2nc(-c3ccco3)no2)C1 90567357 ZIIWGKDVVINWMX-UHFFFAOYSA-N 357.326 0.196 0 40 FCAB CCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1cccnc1OC)C2 96108375 VLQASSUMKKJTSV-ZBFHGGJFSA-N 355.460 0.478 0 40 FCAB Cc1nnc2ccc(N3CCN(CC(=O)NCc4ccccn4)CC3)nn12 106093593 KWDFSGOCJLXQMF-UHFFFAOYSA-N 366.429 0.266 0 40 FCAB CN1CCOCCOCCOCCOCCOCCOCCOCC1 196948690 AICGWQBSQKVXFM-UHFFFAOYSA-N 365.467 0.048 0 40 FCAB O=C(c1ccncc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224330467 QEYVZMRVYACSAM-UHFFFAOYSA-N 354.414 0.671 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)Cc3ccsc3)C2)CN1CC1CC1 247915883 BIUQZVNDGMDRAT-HNNXBMFYSA-N 363.483 0.728 0 40 FCAB O=C1CN([C@@H]2CCC[C@@H](NC(=O)C3CCC(F)(F)CC3)[C@H]2O)CCN1 257330465 XOOLVNOSNZNHOC-UMVBOHGHSA-N 359.417 0.642 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccccn2)C1 585096064 YUTJZQOVZVMMCP-HNNXBMFYSA-N 363.443 0.691 0 40 FCAB CCCCN1CCC[C@]2(CC(C(=O)N[C@@H]3CCS(=O)(=O)C3)=NO2)C1 585101199 NBIKRANWWZCPTI-CJNGLKHVSA-N 357.476 0.701 0 40 FCAB CNC(=O)C[C@]1(COC)CN(C(=O)c2cc(F)ccc2OC)CCO1 585278185 MNFJGHDOWFXKJQ-QGZVFWFLSA-N 354.378 0.828 0 40 FCAB O=C(Nc1cccnc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(Cl)cn2)[C@H]1O 952844745 SBSNJPWVRFQDLB-XGFWRYKXSA-N 365.777 0.779 0 40 FCAB biogenic,in-vitro COC(=O)Cn1nc2n(c1=O)C(=O)N(c1ccc(Br)cc1)C2 1547201169 NIICGYSCZGVQSG-UHFFFAOYSA-N 367.159 0.969 0 40 FCAB O=C(Nc1cccnc1)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713651 RDBNKPFGMMMXEQ-ZDUSSCGKSA-N 355.398 0.952 0 40 FCAB NC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCO3)c2ccccc21 4814051 GQHISQPDEYJWAS-LJQANCHMSA-N 368.345 0.708 0 40 FCAB O=C(O)Cn1c(=O)c2c3c(sc2n(CCN2CCCC2)c1=O)CCC3 6764364 ZJDUWEGTSQJYBS-UHFFFAOYSA-N 363.439 0.894 0 40 FCAB CCCCn1c(N)c(N(CC(C)C)C(=O)C2=COCCO2)c(=O)[nH]c1=O 8734508 VWBQGPVJEVYKOB-UHFFFAOYSA-N 366.418 0.796 0 40 FCAB Cc1ccc(C)c(OC[C@H](O)Cn2c(=O)c3nccnc3c(=O)n2C)c1 12825487 GHWZWWHGFFCJAJ-CYBMUJFWSA-N 356.382 0.547 0 40 FCAB O=C(O)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 13029852 ATHSBYSVUHZDKA-SNVBAGLBSA-N 351.377 0.088 0 40 FCAB CSc1n[nH]c(N/C(C)=C(/CCO)C(=O)n2nc(SC)nc2N)n1 13856463 JTLKAQSYIOVHNZ-SREVYHEPSA-N 370.464 0.831 0 40 FCAB CNC(=O)c1cc2c(nc1N)CCN(C(=O)COC[C@H]1CCCCO1)C2 19701154 VDJAUKAGWTXTKI-CYBMUJFWSA-N 362.430 0.494 0 40 FCAB COc1ccc(C(=O)Nc2cnn(CC(=O)NC[C@H]3CCCO3)c2)cn1 19746150 BLKNNOVIDOGTKD-CQSZACIVSA-N 359.386 0.834 0 40 FCAB CC1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNC(=O)c2cccs2)CC1 20465987 QEOPVZBFHCJSLM-BFJAYTPKSA-N 354.472 0.699 0 40 FCAB biogenic,in-vitro CCOC(=O)N1CCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)CC1 25378542 BPGMVMBGESZUPL-UHFFFAOYSA-N 358.398 0.777 0 40 FCAB O=C(Cn1cccn1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 27085667 QENIGRJVKQHXLG-UHFFFAOYSA-N 352.391 0.555 0 40 FCAB COc1ccc(N2C[C@H](C(=O)Nn3cnnc3S)CC2=O)cc1OC 30564127 LORPEIGCZVSMIT-SECBINFHSA-N 363.399 0.707 0 40 FCAB COC(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2COc3ccccc3O2)c1 32843086 ZZEDZFMTJXEGNB-CYBMUJFWSA-N 358.350 0.591 0 40 FCAB Cc1c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cnn1-c1ccccc1 48374575 DPWJFIVXWLXBBE-UHFFFAOYSA-N 353.382 0.995 0 40 FCAB CC(C)OC(=O)Cn1nc2ccc(S(=O)(=O)N3CCCC3)cn2c1=O 49407810 UQJOYOASKSPOIJ-UHFFFAOYSA-N 368.415 0.232 0 40 FCAB O=C(CN1CCS(=O)(=O)CC1)NCc1cccc(Br)c1 52473249 IQYOAKZQNMFELC-UHFFFAOYSA-N 361.261 0.796 0 40 FCAB O=c1[nH]c(NCCN2CCN(Cc3ccccc3)CC2)nc2c1CCNC2 82109216 XLGBYANNSFOZDN-UHFFFAOYSA-N 368.485 0.645 0 40 FCAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NCc3ccn(C4CCCC4)n3)nc21 89745399 IDTYZRJTLSFEEU-UHFFFAOYSA-N 368.397 0.863 0 40 FCAB Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccnnc2)C1 96215146 FUDFHYYXEYUIMM-QAPCUYQASA-N 357.414 0.960 0 40 FCAB CC1(C)C(=O)NCCN1CC(=O)NCC1(N2CCOCC2)CCCCC1 104072293 VJFLSFZKCKASEA-UHFFFAOYSA-N 366.506 0.348 0 40 FCAB CC(C)(C)OC(=O)N1CCN(CC2(S(C)(=O)=O)CCNCC2)CC1 217931215 LESMAMHQUVRJBM-UHFFFAOYSA-N 361.508 0.706 0 40 FCAB O=C(CN1C(=O)CCC1=O)NCc1nnc2c(C(F)(F)F)cccn12 225808915 FPWKCGGVHKFXPJ-UHFFFAOYSA-N 355.276 0.513 0 40 FCAB CC(C)NC(=O)CCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 226687051 PCSCDRGRLSNZAD-UHFFFAOYSA-N 371.459 0.347 0 40 FCAB COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)c1 409281371 MGOLQXYAZJUVQQ-VYGYDYRJSA-N 371.345 0.659 0 40 FCAB Cn1c(CCNS(=O)(=O)N2CCC[C@@H]2C(=O)O)nc2c(F)cccc21 565419722 XCKYUGQEIBCVPJ-GFCCVEGCSA-N 370.406 0.638 0 40 FCAB Cn1c(=O)nc(O)c2c1nc(N1CCCCC1)n2CCN1CCOCC1 618256774 LSQBRKUQKAMSEV-UHFFFAOYSA-N 362.434 0.158 0 40 FCAB CC1(C)Cc2cccc(OCC(=O)NC[C@@H]3COC[C@@H](O)[C@H]3O)c2O1 643585056 HISALKNHMSUJHP-IOASZLSFSA-N 351.399 0.263 0 40 FCAB Cn1cnnc1CCNC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 644349756 DESXMFDYOLPABO-IBGZPJMESA-N 357.458 0.891 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c1 1152805767 NKVLPHJHBJMEBY-WFASDCNBSA-N 361.398 0.882 0 40 FCAB O=C(NC1CCCC1)c1n[nH]c2c1C[C@H](CNC(=O)[C@@H]1CCOC1)OC2 1565545115 AGGFGZXIWLQURX-DGCLKSJQSA-N 362.430 0.676 0 40 FCAB COCCN1C[C@]2(COCC1=O)CN(C(=O)C1CC(C)C1)C[C@H]2N(C)C 1565548105 RJJPJRNNMJZLPB-YBSITQRDSA-N 367.490 0.297 0 40 FCAB CS(=O)(=O)N1CCO[C@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@@H]21 1565548387 YLLHMCBVJKUPRR-GJZGRUSLSA-N 356.419 0.630 0 40 FCAB CC(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)[C@H]1CN(C)CCN12 1772595418 UTAULTQKOZFBOP-GOSISDBHSA-N 356.470 0.983 0 40 FCAB COc1nn(C)cc1C(=O)NCC1(N2CCOCC2)CCSCC1 1776008641 LNYGVSZBZHEEEK-UHFFFAOYSA-N 354.476 0.757 0 40 FCAB COc1cnc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)nc1 1888899186 XXFITZNJUFZSJU-RYUDHWBXSA-N 352.402 0.735 0 40 FCAB NC(=O)CO[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3)CO[C@H]12 4222733 UBSUAQZQVQYWQS-OIMNJJJWSA-N 374.315 0.472 0 40 FCAB biogenic,in-vitro CCS(=O)(=O)N(CC(=O)OC)c1c(C)n(C)n(-c2ccccc2)c1=O 4999165 ATNOHIVICQRZEN-UHFFFAOYSA-N 367.427 0.814 0 40 FCAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc[nH]n3)c2)C[C@H](C)O1 23142518 VLIIWCSITHIEJU-QWRGUYRKSA-N 365.415 0.855 0 40 FCAB Cc1cccc2nc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cn12 24573876 BYYCUFAKKOZNKY-CQSZACIVSA-N 362.455 0.588 0 40 FCAB CCc1c(C(=O)NCCNS(C)(=O)=O)cnn1-c1ccc(F)cc1 24798225 IOJKWZHGVAJEJH-UHFFFAOYSA-N 354.407 0.853 0 40 FCAB NC(=O)CSc1nc(SCC(N)=O)c2cnn(-c3ccccc3)c2n1 2180971 QMZQWYPRJQLWEV-UHFFFAOYSA-N 374.451 0.970 0 40 FCAB O=C(CN1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)NC1CC1 25370094 BPJVRPPJPIRVPY-UHFFFAOYSA-N 355.435 0.552 0 40 FCAB Cc1cc(C(=O)COC(=O)CN2CCS(=O)(=O)CC2)c(C)n1C1CC1 45894370 NOJJAHNCMRNBEP-UHFFFAOYSA-N 368.455 0.896 0 40 FCAB CC(=O)c1ccc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 12951731 GYMHPGAZMPTFPL-UHFFFAOYSA-N 360.457 0.592 0 40 FCAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNC(CO)(CO)CO)CCCC1 4169085 ISDPNULXLTZFPD-HNNXBMFYSA-N 362.470 0.495 0 40 FCAB CC(C)N1C(=O)C(=O)N(CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)C1=O 6436206 XROVOQOTEOEYHN-QWRGUYRKSA-N 352.391 0.590 0 40 FCAB C[C@@H]1CN(S(=O)(=O)CCNc2cncc(-n3cccn3)n2)C[C@@H](C)O1 69980390 UKGONCHCMSGCGX-CHWSQXEVSA-N 366.447 0.513 0 40 FCAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)NCc1ccco1 62521946 BRQWCXHCADPKQF-CYBMUJFWSA-N 358.402 0.606 0 40 FCAB COc1cc(/C=C/C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1O 7141458 BDJVCSWNINLTLF-PYEVWLCESA-N 369.395 0.261 0 40 FCAB NC(=O)[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8922593 LOXQDUQEOZKDBV-OAHLLOKOSA-N 365.455 0.951 0 40 FCAB COCCn1cc(NC(=O)N2CCC[C@@H]2CN2CCC[C@@H]2CO)cn1 72314075 JABWRYCJDNTHGZ-HZPDHXFCSA-N 351.451 0.983 0 40 FCAB CC(=O)N1CCN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 39984806 YGUMAXZMQGBBAI-UHFFFAOYSA-N 365.455 0.703 0 40 FCAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N[C@@H]1CSC[C@H]1O 36569328 GSEILHXZBLZUPS-KKPWCVQLSA-N 354.409 0.908 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CC(c2nc(-c3cnccn3)no2)C1 49484870 ASCZCXMNSWHKHA-UHFFFAOYSA-N 362.371 0.920 0 40 FCAB Cc1nnc(CNC(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)o1 49390945 LTHMCJCBWIQQSC-UHFFFAOYSA-N 373.369 0.708 0 40 FCAB CCOC(=O)c1cnc(NC(=S)NCCN2CCOCC2)nc1C 225198513 XBCISLKVHMNWSV-UHFFFAOYSA-N 353.448 0.580 0 40 FCAB Cc1cnc(CCNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)nc1 332939667 HBWNAIJLIKHBAS-JKSUJKDBSA-N 358.442 0.885 0 40 FCAB COc1ccc(I)cc1S(=O)(=O)NCCO 95945978 NCCLRWDHFIMGQW-UHFFFAOYSA-N 357.169 0.570 0 40 FCAB CNC(=O)c1cccc([C@H]2CNCCN2CC(=O)Nc2cnn(C)c2C)c1 257213274 CGVVFPRZVBQSEQ-QGZVFWFLSA-N 370.457 0.673 0 40 FCAB COc1cccc([C@@H](C(=O)O)N2CCN(S(=O)(=O)C3CC3)CC2)c1 634692817 KJKXHUQPOJPRLB-HNNXBMFYSA-N 354.428 0.931 0 40 FCAB CN(Cc1ccccn1)C(=O)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2CC(O)C2)O1 585108756 WWYVVNDPGNTMNE-NLZHUQCOSA-N 373.453 0.959 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)Cc3ccc(C)cc3)C[C@@H]21 585110068 DKVBCVPHKUTKSF-HZPDHXFCSA-N 368.437 0.922 0 40 FCAB CN(C)CCOc1ccc(CN2CC[C@@](O)(CN3CCOCC3)C2)cc1 585274451 XCSKZPYWGAPITE-HXUWFJFHSA-N 363.502 0.896 0 40 FCAB Cc1cccc(CN2CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C2)n1 1615158577 SNTWIGZEMMGJHH-WJFTUGDTSA-N 368.474 0.226 0 40 FCAB CCSc1nnc(C2CCN(CC(=O)N3CCOCC3)CC2)n1C 5001358 MUXMIMOQFSDYLL-UHFFFAOYSA-N 353.492 0.965 0 40 FCAB CN(C)CCNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 12085662 XOQOFJCPQDUGJH-LJQANCHMSA-N 374.441 0.195 0 40 FCAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCN(c2ccccn2)CC1 17306798 HUFOYMHODULGTA-UHFFFAOYSA-N 365.415 0.492 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2C[C@@H](O)c1ccccc1 4454237 BEPICYJFXVRTAY-CYBMUJFWSA-N 355.398 0.757 0 40 FCAB Cn1cccc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)c1=O 1565552320 ZSIWRFPJRHYFOV-ROUUACIJSA-N 368.437 0.896 0 40 FCAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)Cn2ccccc2=O)CC1 2055772200 HJJYIIJRQOLSEU-UHFFFAOYSA-N 357.414 0.151 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccc(C)cn2)CC1 2055782051 DSESAWRQFGGPSS-UHFFFAOYSA-N 371.441 0.981 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 211106913 QLILDRSEBPTUEM-CYBMUJFWSA-N 350.437 0.870 0 40 FCAB O=C(CN1CCN(CC(=O)N2CCc3ccccc32)CC1)N1CCCC1 20952722 ZSHMCXRLJXLIPO-UHFFFAOYSA-N 356.470 0.816 0 40 FCAB CCOc1nc(NC)nc(N(C#N)CN2C(=O)c3ccccc3C2=O)n1 866571 BWPSFHMCEYADNQ-UHFFFAOYSA-N 353.342 0.853 0 40 FCAB COc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1OC 886301 VDDSDNPMKWFYFG-CYBMUJFWSA-N 372.443 0.765 0 40 FCAB CC1(C)S[C@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O 3831281 BPLBGHOLXOTWMN-DYEKYZERSA-N 350.396 0.697 0 40 FCAB in-vitro CCn1nc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)c2ccccc2c1=O 4326039 LWXONPAIANQPEX-ZDUSSCGKSA-N 360.370 0.793 0 40 FCAB CC1(C)S[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@@H]1C(=O)O 4576929 HCYWNSXLUZRKJX-XQQFMLRXSA-N 352.412 0.693 0 40 FCAB in-man Cc1ccc(N([C@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 5002199 FEEWSYFZHUXWCN-CYBMUJFWSA-N 367.471 0.873 0 40 FCAB CCOc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 6583496 UUHMMUGLKZLEJU-UHFFFAOYSA-N 363.370 0.897 0 40 FCAB C[C@H](NC(=O)CSc1nc(N)nc(N)n1)c1ccc2c(c1)OCCO2 6879896 QKRSAZOTVMBZNQ-QMMMGPOBSA-N 362.415 0.777 0 40 FCAB CC(C)Oc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCC2=O)cc1 8930734 HSRGEZOIZIPWRP-UHFFFAOYSA-N 362.382 0.896 0 40 FCAB CN(C)S(=O)(=O)c1ccc(OCCN2CCC[C@H](C(N)=O)C2)cc1 12996016 UXYGRDYDQKYTQC-ZDUSSCGKSA-N 355.460 0.513 0 40 FCAB C[C@@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 13116352 DLQUTUMIIMXHJV-GFCCVEGCSA-N 357.414 0.469 0 40 FCAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccon1 14159909 XRYMWIIRSJFLCP-UHFFFAOYSA-N 356.429 0.681 0 40 FCAB CCOC(=O)c1sc2ncnc(N3CCN(CC(N)=O)CC3)c2c1C 14244730 PLWBRJXZOHEZJL-UHFFFAOYSA-N 363.443 0.784 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C 19571425 XFENDXIFHWFBSC-UHFFFAOYSA-N 353.400 0.366 0 40 FCAB CCS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCOCC2)cc1 20062760 XYSKVZRJJQRSMV-UHFFFAOYSA-N 355.460 0.900 0 40 FCAB NC(=O)NC(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)c(O)n1 24747860 KTPSOKWOMXRKBM-UHFFFAOYSA-N 363.355 0.302 0 40 FCAB CCc1ccc([C@H](C)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 49890292 SMIGDOTXVKECOI-LBPRGKRZSA-N 369.425 0.874 0 40 FCAB CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc2nnnn2n1 60103055 BQRFRZSDBXHKFA-UHFFFAOYSA-N 362.415 0.828 0 40 FCAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NCc2ccco2)N(C)S(=O)(=O)N1 72335154 ROWKWYLWSISUJF-KGLIPLIRSA-N 367.431 0.218 0 40 FCAB CCN(C(=O)CN(C)[C@@H]1CCCc2c1cnn2C)[C@@H]1CCS(=O)(=O)C1 89960933 DTEWPSFEZOELOE-UKRRQHHQSA-N 368.503 0.765 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccsc2)N2CCC2)C1=O 225594471 JGTMGISDKXYEJK-LBPRGKRZSA-N 372.472 0.902 0 40 FCAB Cn1cc(S(=O)(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)cn1 225638821 PVTIAUFJSKUEFI-ZDUSSCGKSA-N 364.383 0.419 0 40 FCAB CCS(=O)(=O)N(C)CC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1 225957773 ZVNARXDMQSPTIC-UHFFFAOYSA-N 374.459 0.952 0 40 FCAB O=S(=O)(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1)C1CC1 247351730 WDVSZGLJMJFHKZ-OAHLLOKOSA-N 368.503 0.823 0 40 FCAB CN1Cc2nnc(C(=O)NC(C)(C)C)n2C[C@]12CCN(C(=O)C1CC1)C2 306134386 NLNHCWCMVNKMNW-GOSISDBHSA-N 360.462 0.633 0 40 FCAB Cc1cc(CN2Cc3ccnn3C[C@@H](CCNS(C)(=O)=O)C2)no1 306142818 XKSHGBWVCOOLCV-ZDUSSCGKSA-N 353.448 0.751 0 40 FCAB O=C(NCc1nc(CO)cs1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 332896305 ISAVXBFBUASHKV-KBPBESRZSA-N 365.455 0.693 0 40 FCAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1cc(F)cc(F)c1F 626571638 GNYGZIKPIWOQIM-SECBINFHSA-N 367.349 0.886 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCC[C@@](O)(CC(=O)NC)C2)cc1 643695293 KWNNGDFITZQMKH-MRXNPFEDSA-N 356.444 0.737 0 40 FCAB CN1CC[C@@H]2OCCN(C(=O)CCCS(=O)(=O)N3CCCC3)[C@@H]2C1 671520171 GOACVAJUNGRQSI-CABCVRRESA-N 359.492 0.124 0 40 FCAB Cn1cc(N2C[C@@]3(CCN(C(=O)c4cccc(=O)n4C)C3)CC2=O)cn1 1565547620 QSKBRVWLJATWQC-SFHVURJKSA-N 355.398 0.388 0 40 FCAB Cc1c([C@@H]2[C@@H](CNC(=O)C3(n4cccn4)CC3)CC(=O)N2C)cnn1C 1615592343 SNSOEHFSBBMOBI-CJNGLKHVSA-N 356.430 0.750 0 40 FCAB CSc1nnc(CNS(=O)(=O)C2CCS(=O)(=O)CC2)s1 1662883059 XWQMIGZGOLTHIX-UHFFFAOYSA-N 357.504 0.257 0 40 FCAB CCS(=O)(=O)N1CC[C@](Nc2cccc(F)c2)(C(=O)NCCOC)C1 2055747099 HRMADEMZJFNSQT-MRXNPFEDSA-N 373.450 0.794 0 40 FCAB COc1cccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1OC 6913270 FCHBVORZQKGPGW-NSHDSACASA-N 371.411 0.506 0 40 FCAB CCN(Cc1cccs1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 8459582 XGPZWLXSZSICLX-UHFFFAOYSA-N 361.427 0.544 0 40 FCAB COC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9576592 NCDDMRJJPYLSOQ-NSHDSACASA-N 372.418 0.904 0 40 FCAB CCCNC(=O)[C@@H](C)NC(=O)CSc1nnnn1-c1cccc(F)c1 9691162 JZMFSIPWJABDNS-SNVBAGLBSA-N 366.422 0.924 0 40 FCAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccncc3)c2)CCN1 12522874 XMRHMUQWQFMCTD-UHFFFAOYSA-N 360.395 0.454 0 40 FCAB CCn1nnc2c(N3CCN(C(=O)COc4ccccc4)CC3)ncnc21 13533266 OFCVYMLNYOUPIH-UHFFFAOYSA-N 367.413 0.969 0 40 FCAB Cc1ccc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)c(=O)[nH]1 19131479 DUKKOLDVFHDBCS-CQSZACIVSA-N 369.425 0.945 0 40 FCAB CCOc1nn(CC)cc1C(=O)Nc1nnc(SCC(N)=O)s1 21011451 GBAASFBDFBEOIN-UHFFFAOYSA-N 356.433 0.983 0 40 FCAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24686191 PKLCAJRIHNBBDW-CYBMUJFWSA-N 360.457 0.379 0 40 FCAB COCCn1c(N)c(C(=O)CN(C)[C@@H]2CCc3ccccc32)c(=O)[nH]c1=O 26915713 ZLZQYJJIHROIAX-CQSZACIVSA-N 372.425 0.567 0 40 FCAB O=C1C[C@H](N2CCN(c3cnccn3)CC2)C(=O)N1CCc1ccccc1 28897866 METSEUBCUDVXDK-KRWDZBQOSA-N 365.437 0.969 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)C2CC2)CC1 42384059 FJSDIBZEOLIKPI-UHFFFAOYSA-N 365.411 0.231 0 40 FCAB O=S(=O)(NCCS(=O)(=O)N1CCc2ccccc21)c1cccnc1 44227003 SCXWLTFYUKCTGH-UHFFFAOYSA-N 367.452 0.752 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(CN3CCOC3=O)CC2)cc1 48275881 BLYKTYQJIYAGHM-UHFFFAOYSA-N 355.416 0.411 0 40 FCAB CS(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)cc1 48287788 JGFRMZWODONKJN-UHFFFAOYSA-N 374.484 0.771 0 40 FCAB CC[C@@H](C)NC(=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1OC 58218965 KGOXDFICSNMZGJ-SNVBAGLBSA-N 357.432 0.377 0 40 FCAB CCOC(=O)c1ccc(N2CCN(CCCS(C)(=O)=O)CC2)nc1 75582688 ISAZCACAUJNHQE-UHFFFAOYSA-N 355.460 0.815 0 40 FCAB CN(C)c1cc(CNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccn1 108456190 XKFUMFZPOSUHGV-WRFANHODSA-N 354.410 0.571 0 40 FCAB O=C1NC(=O)c2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc21 226859877 QRZHGDTUQUVVEA-AWEZNQCLSA-N 374.374 0.544 0 40 FCAB Cn1ccc(C(=O)N2CCC[C@H](Cc3[nH]ncc3S(C)(=O)=O)C2)n1 257339390 ZBMLLAGPWFHHGG-LLVKDONJSA-N 351.432 0.642 0 40 FCAB Cc1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4cnccn4)[C@H]3C2)n(C)n1 306139234 SSTDBRSVGHOTLZ-YSVLISHTSA-N 356.430 0.395 0 40 FCAB Cc1cc(OC2CCN(C(=O)CCn3ccc(O)nc3=O)CC2)nc(C)n1 390826390 JRRIAHAYDQNNOB-UHFFFAOYSA-N 373.413 0.816 0 40 FCAB CN1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3ccc(F)cc3)[C@H]2O)CC1 514289675 YDJIJOQLUZBHCJ-HRCADAONSA-N 352.410 0.323 0 40 FCAB biogenic,in-vitro O=C(C1CCOCC1)N1CCC[C@H](CS(=O)(=O)N2CCOCC2)C1 521396702 SHOOBXWRGDGANQ-AWEZNQCLSA-N 360.476 0.314 0 40 FCAB O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1)N1CCOCC1 527701260 VMGNEPKFCNGUPI-JKSUJKDBSA-N 363.483 0.855 0 40 FCAB O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)C3(F)CC3)C[C@H]21 585109928 OUXWUZHNODGJAY-GFCCVEGCSA-N 362.409 0.261 0 40 FCAB CN(C)C1(CNC(=O)CN2CCCC[C@H](O)C2=O)Cc2ccccc2C1 644366128 BPMRUPYCRAKOKZ-KRWDZBQOSA-N 359.470 0.575 0 40 FCAB O=C(c1cc[nH]n1)N1CCOC[C@@]2(CC[C@H](Cn3ncccc3=O)O2)C1 2055794493 VKHLINJGKCHUGC-CXAGYDPISA-N 359.386 0.057 0 40 FCAB O=C(COC(=O)/C=C/C(=O)N1CCOCC1)Nc1c(F)cccc1F 3296516 VIDQVXMNVSKBJH-SNAWJCMRSA-N 354.309 0.862 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]12 5252598 MSCKYIVSYZPZJI-DZGCQCFKSA-N 373.365 0.725 0 40 FCAB O=C1N=c2ccccc2=C1Nn1cnc2c(cnn2-c2ccccc2)c1=O 6535766 AKFLUDLZRHSGOL-UHFFFAOYSA-N 356.345 0.094 0 40 FCAB CCN(CC)C(=O)[C@H](c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 6929324 ATCBIRWBJBAZPK-AWEZNQCLSA-N 369.425 0.892 0 40 FCAB O=C(Nc1ccccc1F)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 8922351 GAFXIXRQJAMDPK-GFCCVEGCSA-N 369.418 0.937 0 40 FCAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)C2CC2)CC1 8987742 AEAIMKHDOZJTIU-UHFFFAOYSA-N 354.410 0.937 0 40 FCAB CCc1ccc(OC[C@@H]2Cn3c(nc4c(=O)n(C)c(=O)n(C)c43)O2)cc1 12818484 NHUGWXLQGLUXTG-ZDUSSCGKSA-N 356.382 0.836 0 40 FCAB COC(=O)CNC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N 14128816 ZWBQWYGWSHDLND-UHFFFAOYSA-N 355.807 0.694 0 40 FCAB CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)NC(C)C)CN21 15708639 RYSHELJEJZYBLG-ZNMIVQPWSA-N 367.494 0.284 0 40 FCAB biogenic,in-vitro COCCNC(=O)Cn1nc2c(c1NC(=O)c1cnccn1)CSC2 23138961 GYCMNLFLJLRSEU-UHFFFAOYSA-N 362.415 0.435 0 40 FCAB CS(=O)(=O)Nc1nc2ccc(C(=O)N3CCNC(=O)C3)cc2s1 32096611 WINWJEBIAHHULR-UHFFFAOYSA-N 354.413 0.240 0 40 FCAB C[C@@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccccc1 56758373 RUBRHHSLHRQYKS-OCCSQVGLSA-N 353.444 0.425 0 40 FCAB Cc1c(NC(=O)c2c[nH]c(=O)n(C)c2=O)c(=O)n(-c2ccccc2)n1C 70634690 BPDDQHQKWJIRFR-UHFFFAOYSA-N 355.354 0.124 0 40 FCAB O=C1CCCC(=O)N1CCS(=O)(=O)N1CC(c2nc(C3CC3)no2)C1 75156398 NXSTVTPIPFEUOT-UHFFFAOYSA-N 368.415 0.215 0 40 FCAB CC(C)[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 95985779 ZBAKHVDZQVOSSA-CHWSQXEVSA-N 364.450 0.636 0 40 FCAB O=C(Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO)O1)c1ccccc1 110928184 PIXHJAPVPCVZSV-UPJWGTAASA-N 355.354 0.719 0 40 FCAB O=C(N[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1)c1cccnc1 206235591 KPPSKORLAHFKCF-HZPDHXFCSA-N 373.434 0.856 0 40 FCAB Cc1ncsc1CN1CC2(C1)CN(C)[C@@H](C(=O)N1CCCCO1)CO2 248027556 MZYITKKYXDWAQM-CQSZACIVSA-N 366.487 0.891 0 40 FCAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)CCCn2cncn2)n1 257333543 YBZNLZNXSVJLGC-INIZCTEOSA-N 357.418 0.848 0 40 FCAB CS(=O)(=O)N1C[C@H]2C3(CCNCC3)CC[C@@]2(C(=O)N2CCCC2)C1 306144279 ZBAFVRQAQZJDEW-WMLDXEAASA-N 355.504 0.650 0 40 FCAB CN1CCC[C@H](NC(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)C1=O 528014357 ZNJJJRBMAQBHOF-STQMWFEESA-N 355.435 0.322 0 40 FCAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(CC(=O)N=c2cc[nH]cc2)C1 548336226 BNXUCTMUSGJRIH-QGZVFWFLSA-N 359.455 0.944 0 40 FCAB CN1CCN(c2ncnc3c2CCN(C(=O)Cc2ccn(C)n2)CC3)CC1 585110512 VDGLCLGXAYUHOK-UHFFFAOYSA-N 369.473 0.132 0 40 FCAB Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2COC[C@@H](O)[C@H]2O)c(=O)n1C 585288293 UJESLQURGUJDRT-BMFZPTHFSA-N 352.431 0.160 0 40 FCAB CNC(=O)c1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1 642317617 MDNHLSUJMNKUSD-UHFFFAOYSA-N 353.425 0.936 0 40 FCAB Cc1cnc(CN2C[C@H](n3ccnn3)[C@H](NC(=O)c3cccn3C)C2)o1 1069897236 HMCWIIMFUFHMFV-HIFRSBDPSA-N 355.402 0.769 0 40 FCAB C=CC(=O)N(CC)CC(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1135689740 LEOKBPYVPWHVNB-LBPRGKRZSA-N 353.444 0.888 0 40 FCAB CN(C)CCN1CCO[C@H]2CCN(C(=O)CCc3cncnc3)CC[C@@H]21 1565546608 AVPUSONDIHUHPA-ROUUACIJSA-N 361.490 0.663 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3C(=O)N(Cc4ccncc4)CCO[C@H]3C2)n1 1565549933 JWHFAOHFCLAICU-CABCVRRESA-N 370.413 0.100 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 2055771805 ZYBCTFIZHJAXSB-CHWSQXEVSA-N 356.469 0.713 0 40 FCAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CNC(CO)(CO)CO)CCCC1 4169084 ISDPNULXLTZFPD-OAHLLOKOSA-N 362.470 0.495 0 40 FCAB CC(C)N(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 4829867 FBIFJYLOHVZCLB-UHFFFAOYSA-N 355.398 0.875 0 40 FCAB CCCc1cc(=O)[nH]c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)n1 8670983 IAEZWTYVXOREEX-GFCCVEGCSA-N 373.500 0.850 0 40 FCAB O=C(CNC(=O)C(=O)NC1CCCC1)Nc1ccc2c(c1)OCCCO2 8883299 XWICHYMIRIAFRP-UHFFFAOYSA-N 361.398 0.961 0 40 FCAB CN(CC(=O)NC(C)(C)C)CC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 12785649 YFBMAJLNLGSTJE-CYBMUJFWSA-N 359.492 0.011 0 40 FCAB Cn1ncc2c(N3CCN([C@@H](C(N)=O)c4ccc(F)cc4)CC3)ncnc21 12972957 WBEXWNQWTFINQG-OAHLLOKOSA-N 369.404 0.851 0 40 FCAB O=C(O)CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13691575 QVGDWIJGKBYOPR-UHFFFAOYSA-N 356.342 0.383 0 40 FCAB O=C(NCCN1CCOCC1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 20622400 OOOVALBFDWGTIC-ZDUSSCGKSA-N 359.434 0.018 0 40 FCAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 23394304 YHUAQQKYLQIMHH-JTQLQIEISA-N 360.395 0.783 0 40 FCAB CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(C(=O)C3CC3)CC2)c1 25169268 GNWNGOAXIWQULK-UHFFFAOYSA-N 365.455 0.598 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1C(=O)NC(C)C 26112420 NHKQJGOBCIHASR-UHFFFAOYSA-N 369.443 0.296 0 40 FCAB C[C@H](C(=O)NC1CC1)N1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 32724180 AOEPRGZPCHQVFG-MLCYQJTMSA-N 359.382 0.935 0 40 FCAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCNCC2)c1 37465154 TZMXMEMNTXMMQY-UHFFFAOYSA-N 352.865 0.728 0 40 FCAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 51135090 VUVGSRJMWORBDQ-CYBMUJFWSA-N 366.443 0.118 0 40 FCAB CS(=O)(=O)N1CC(C(=O)N2CCN(CCc3ccccc3)CC2)C1 70817764 KVRHVPOBAPZADZ-UHFFFAOYSA-N 351.472 0.265 0 40 FCAB CCCCNC(=O)COC(=O)Cc1nn(CCO)c(=O)c2ccccc12 72312582 CZDCQDUJSLYEEC-UHFFFAOYSA-N 361.398 0.391 0 40 FCAB O=C(O)c1ccccc1CC(=O)N1CCN(CC(=O)N2CCCC2)CC1 72406468 VJWRZQDSZFXBGR-UHFFFAOYSA-N 359.426 0.694 0 40 FCAB C[C@H](CN1CCOCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 91513895 MTQCRFGJUSQQPF-OAHLLOKOSA-N 354.476 0.109 0 40 FCAB COC[C@@H]1c2nnn(C)c2CCN1S(=O)(=O)c1c(C)nn(C)c1C 96045269 SZZZCFOWIKHIGZ-GFCCVEGCSA-N 354.436 0.100 0 40 FCAB O=C(Nc1cccc(CS(=O)(=O)N2CCOCC2)c1)c1cnccn1 223221072 UOXNICVRZBEPMD-UHFFFAOYSA-N 362.411 0.891 0 40 FCAB CN(C)CCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223710074 RIVWQEZGDAZADB-UHFFFAOYSA-N 355.445 0.630 0 40 FCAB CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(C)S3(=O)=O)cc1 225947566 MPZYLYXZFASIEX-BDJLRTHQSA-N 368.411 0.601 0 40 FCAB CNC(=O)[C@H]1C[C@@H]2CN(Cc3cc(C)c(C)o3)C[C@@H]2N1S(C)(=O)=O 306144794 ZOPOQNUJNUGDQK-YUELXQCFSA-N 355.460 0.477 0 40 FCAB COCCNC(=O)[C@H]1COC2(CN(C(=O)c3cccc(C)c3)C2)CN1C 575405876 VIVZTJGMOZDDHW-MRXNPFEDSA-N 361.442 0.283 0 40 FCAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NC(=S)Nc1ccccc1 575421876 SJLHILQPZLFXDK-NWDGAFQWSA-N 357.457 0.885 0 40 FCAB O=C1CC[C@@H](C(=O)N2CCC[C@@]3(C[C@@H](O)[C@H](c4ccccc4)NC3=O)C2)N1 585284131 FGMOYBFVNYKWHY-NVALYEJGSA-N 371.437 0.496 0 40 FCAB COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C2)CN(C2COC2)C3)cc1 604381652 JISSSODOAMDJGQ-MRXNPFEDSA-N 373.453 0.305 0 40 FCAB biogenic,in-vitro COc1ccc(COCCNC(=O)CN2CCCC[C@H](O)C2=O)cc1 644418751 VQTTVCIXHIESQX-INIZCTEOSA-N 350.415 0.701 0 40 FCAB O=C(c1cc[nH]n1)N1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 1565549603 VKHLINJGKCHUGC-GUYCJALGSA-N 359.386 0.057 0 40 FCAB CCOc1ccc(NC(=O)c2nnc3c(C(=O)NC)cnn3c2N)cc1 1408887 JFCCFAXQUCBWFS-UHFFFAOYSA-N 355.358 0.717 0 40 FCAB COc1ccccc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 3440813 NUOKFXQYZKHUGH-UHFFFAOYSA-N 370.452 0.864 0 40 FCAB CCC[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 4899493 JCRKZZNOFDAGDT-ZDUSSCGKSA-N 365.386 0.399 0 40 FCAB CCCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1OC 5339902 CSGRZPGNESSIHK-UHFFFAOYSA-N 355.416 0.700 0 40 FCAB COc1ccc(Nc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1 5392845 DHSVZMSVSTXYCS-SYEQVDHESA-N 373.369 0.190 0 40 FCAB CCOC(=O)CCCNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 6052207 JYZVRRADULYVGE-UHFFFAOYSA-N 353.419 0.947 0 40 FCAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCNC(=O)C2)c1 6838738 GGFKDMCVNBTVFU-UHFFFAOYSA-N 368.459 0.087 0 40 FCAB CCS(=O)(=O)N1CCc2cc(C(=O)NCCN3CCOCC3)ccc21 13610363 NFCRFWDMIHYFQS-UHFFFAOYSA-N 367.471 0.461 0 40 FCAB COc1ccc(Cl)cc1N(CC(=O)NCCN(C)C)S(C)(=O)=O 13613544 OKAKBXDXSXUHMC-UHFFFAOYSA-N 363.867 0.792 0 40 FCAB O=S1(=O)C[C@H](NC[C@H]2CCCO2)[C@@H](S(=O)(=O)c2ccccc2)C1 19796889 WSGJRSHGIHKBBB-SNPRPXQTSA-N 359.469 0.395 0 40 FCAB Cc1ccc2nc(CN3CCN(CC(=O)NC4CC4)CC3)cc(=O)n2c1 22928349 NQXOLKZFLGBJSZ-UHFFFAOYSA-N 355.442 0.399 0 40 FCAB CN(C)CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 38771649 ZYDGTCVPPHTOKB-UHFFFAOYSA-N 360.455 0.506 0 40 FCAB CC(=O)N1CCN(C(=O)CCn2nc(-c3cccs3)oc2=O)CC1 40025417 AWCDPRAJBUADRA-UHFFFAOYSA-N 350.400 0.646 0 40 FCAB CN1C(=O)COc2ccc(NC(=O)C(=O)NCCN3CCCCC3)cc21 40287095 JVIVDKAHOUFCDP-UHFFFAOYSA-N 360.414 0.582 0 40 FCAB COc1cc(NC(=O)CCC(=O)N2CCNC(=O)C2)cc(OC)c1OC 40288566 ZVTRQZCGGINRRB-UHFFFAOYSA-N 365.386 0.390 0 40 FCAB CC(=O)N[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 58209288 WGMPIBFZTJOOMA-AWEZNQCLSA-N 371.434 0.621 0 40 FCAB CC(C)(C)NC(=O)Cn1nc2ccc(S(=O)(=O)C(C)(C)C)nn2c1=O 64775371 SDXQACFVYFHMDA-UHFFFAOYSA-N 369.447 0.378 0 40 FCAB CNC(=O)c1cc2c(nc1NCC1CC1)CCN(S(C)(=O)=O)CC2 96100429 HLPVYZQYWUUTJQ-UHFFFAOYSA-N 352.460 0.623 0 40 FCAB O=C(CN1C(=O)CCC1=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96365484 LKYCQZNYFIKTPT-CYBMUJFWSA-N 350.396 0.210 0 40 FCAB COC(=O)C[C@@H]1CCCCN1C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 245224977 JKRQPJJVYPCBRK-AVVLXZEZSA-N 360.410 0.738 0 40 FCAB CNc1cccc([C@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)n1 257203430 AQACDKDRSGEXRA-OAHLLOKOSA-N 354.476 0.921 0 40 FCAB CC(C)C(=O)N[C@H]1CCN(C(=O)CN2Cc3ccccc3C2=O)CC[C@@H]1O 257247612 IZTCQGPSEYETGU-IRXDYDNUSA-N 373.453 0.767 0 40 FCAB O=C(NC[C@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1)N1CCCC1 306142845 XMIOAUYAMQPQJK-CQSZACIVSA-N 371.445 0.915 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 408622929 OETNHOXCXQLNTG-UHFFFAOYSA-N 356.444 0.955 0 40 FCAB COc1nc(CNS(=O)(=O)c2cccc3cccnc23)nc(OC)n1 575606451 ILENGSZCEJIIAF-UHFFFAOYSA-N 361.383 0.916 0 40 FCAB CS(=O)(=O)c1ccccc1C(=O)NCCn1nc(C2CC2)ccc1=O 575607615 JAPZOBYDKXJQCY-UHFFFAOYSA-N 361.423 0.954 0 40 FCAB Cc1cc2c(cc1NC(=O)CN1C(=O)CCC1=O)N(C)S(=O)(=O)N2C 575613452 SEBUQPATGBHBMH-UHFFFAOYSA-N 366.399 0.213 0 40 FCAB Cc1cnc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCOCC2)cn1 585094604 DTLQCIKQMYYVJQ-CQSZACIVSA-N 356.430 0.418 0 40 FCAB C[C@@H]1[C@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CCS1(=O)=O 628940855 ZSUUJXHNYGCHNR-RTXFEEFZSA-N 360.501 0.770 0 40 FCAB CN(Cc1cn(C)nn1)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 666211829 XMPWQNYVHCXERR-UHFFFAOYSA-N 360.422 0.734 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CCO1 681942153 JQEWFPOTIYBNLG-CQSZACIVSA-N 356.325 0.739 0 40 FCAB O=C(c1ccncc1F)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@@H]2C1 1549161651 HVYJJQDRYNBUPP-AWEZNQCLSA-N 374.372 0.488 0 40 FCAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)c2ccn(C)n2)CC1 2055745904 OPFXDMJJKSZCCU-UHFFFAOYSA-N 359.434 0.329 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)Cc2c[nH]c3ccccc23)c(=O)n(C)c1=O 3362171 IUCAXWVPEOSVDB-UHFFFAOYSA-N 370.365 0.116 0 40 FCAB CC(=O)[C@H](C(=O)N(C)C)n1cnc2c(nnn2-c2cccc(C)c2)c1=O 4341843 SQSMUAZBIXAQBD-CQSZACIVSA-N 354.370 0.504 0 40 FCAB COCCNC(=O)CSc1nnc(CNC(=O)c2ccc(F)cc2)o1 5107396 UUWJEDYSDXQXRN-UHFFFAOYSA-N 368.390 0.993 0 40 FCAB OC[C@@H](O)[C@@H](O)[C@H](O)c1nn(-c2ccccc2)c2nc3ccccc3nc12 5496158 LABBLXXRSWREEJ-ZTFGCOKTSA-N 366.377 0.716 0 40 FCAB CC(=O)N1CCN(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)CC1 11459529 TUIRWACEWMJIRF-UHFFFAOYSA-N 357.366 0.376 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 12551816 BYXDLMXGHGKJPP-CABCVRRESA-N 362.451 0.832 0 40 FCAB COc1cc(CNC(=O)Cn2ccc(=O)[nH]c2=O)ccc1OC(F)F 12789898 CXNLYBFWMVKZNP-UHFFFAOYSA-N 355.297 0.463 0 40 FCAB CC1=NCCN1S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 19818978 JYRZNAFWFRMSEI-UHFFFAOYSA-N 371.440 0.484 0 40 FCAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCCO 19935196 BFDQYSWUDRRXRP-UHFFFAOYSA-N 362.835 0.612 0 40 FCAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCCCN(C)C)c2cc(Cl)ccc21 20622281 UYRVRQFUYCSSNQ-AWEZNQCLSA-N 366.849 0.932 0 40 FCAB O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24684305 CPARFLLJQUGCAW-UHFFFAOYSA-N 365.393 0.569 0 40 FCAB Cc1ccc(C)c(OC[C@@H](O)CN2CCN(CC(=O)NC3CC3)CC2)c1 32772971 LEGXYYWVPGJUHZ-SFHVURJKSA-N 361.486 0.939 0 40 FCAB CCc1nnsc1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 33090477 FJOZJHCNFRGNMO-UHFFFAOYSA-N 367.456 0.642 0 40 FCAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCN([C@H]2CCCCNC2=O)CC1 72308541 JJZNXUWPTDZNPU-CABCVRRESA-N 363.462 0.986 0 40 FCAB C[C@H](NC(=O)CCC(=O)N1CCN([C@H](C)C(N)=O)CC1)c1ccccc1 89905524 WODDMQPGKVBMMI-LSDHHAIUSA-N 360.458 0.662 0 40 FCAB Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)n1 96050387 YGQXTOJYMQUCQU-LJQANCHMSA-N 368.441 0.687 0 40 FCAB C[C@@]1(NC(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)CCS(=O)(=O)C1 103138078 TUZALUZPRVSZHO-NVGCLXPQSA-N 371.455 0.618 0 40 FCAB Cc1cc(C)n(C[C@H]2CN(C(=O)CS(=O)(=O)C(C)(C)C)CCO2)n1 131302994 FCTLBEZHQCQQBU-CQSZACIVSA-N 357.476 0.941 0 40 FCAB COc1ccc([C@@H](CC(=O)NC[C@H]2CCCO2)NS(C)(=O)=O)cc1 225955029 MYJWONICJFEMOE-HUUCEWRRSA-N 356.444 0.971 0 40 FCAB Cc1ccn(CCC(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)n1 257232680 GLXWOAJVMYBQGI-SFHVURJKSA-N 358.446 0.862 0 40 FCAB CN(C)C(=O)[C@@]1(C)CN(C(=O)c2cncc(-c3cncnc3)c2)CCO1 257296075 RBDCFJGOLWNVQU-GOSISDBHSA-N 355.398 0.858 0 40 FCAB CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)c3ccccc3)[C@H]2O)CC1 514288668 KDOWIKNYHHPPLW-OKZBNKHCSA-N 361.442 0.099 0 40 FCAB biogenic,in-vitro CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cn(C)nc2C(F)(F)F)C1 526092685 HLXDPQCBZVCEST-SSDOTTSWSA-N 355.342 0.594 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1NC(C)=O 575426194 OGIKWOYJQVSAGK-SNVBAGLBSA-N 360.413 0.243 0 40 FCAB C[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@H](CN(C)c2nccn(C)c2=O)C1 583614787 YEWXUGMRMUOFOF-RBSFLKMASA-N 363.462 0.816 0 40 FCAB Cn1cc(CN2Cc3ncn(C)c3[C@H](C(=O)N3CC(F)(F)C3)C2)cn1 585110866 RNVDNZRUYLVFNK-GFCCVEGCSA-N 350.373 0.731 0 40 FCAB CCn1ncc(Cl)c1C(=O)N1CCOC[C@@](CC(=O)NC)(OC)C1 585280978 RCCCYSXAUJNRGZ-HNNXBMFYSA-N 358.826 0.550 0 40 FCAB C[C@@H](O)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1C 1519802191 SCOUKYOATVSXLP-LLVKDONJSA-N 369.422 0.518 0 40 FCAB CN1[C@@H]2CN(C(=O)Nc3ccc(F)cc3F)C[C@@H]2OCCS1(=O)=O 1534639802 FTRCRPHLJJNXIU-OLZOCXBDSA-N 361.370 0.841 0 40 FCAB Cc1cccc(F)c1C(=O)N1C[C@H]2ON=C(C(=O)N3CCOCC3)[C@H]2C1 1565549269 SXHBDBIYLCCSLD-GXTWGEPZSA-N 361.373 0.820 0 40 FCAB COc1cc(C(=O)N2C[C@H]3ON=C(C(=O)NCc4cccnc4)[C@H]3C2)on1 1565550995 LBYLLIJTOVYAAB-WCQYABFASA-N 371.353 0.221 0 40 FCAB CC(C)[C@@]1(O)[C@H](O)[C@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@H](C)[C@@H]42)[C@@]13C 1772820072 HMPXQDVZEWENGB-DQHAPQHKSA-N 368.470 0.390 0 40 FCAB endogenous Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)CCS(C)(=O)=O)C[C@H]21 2055750540 BEOWKMASJGTGFY-HUUCEWRRSA-N 371.459 0.138 0 40 FCAB COC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(NS(C)(=O)=O)cc12 1926432 IXDMZAXUFVIXKN-UHFFFAOYSA-N 360.413 0.916 0 40 FCAB CC1CCN(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)CC1 3502471 NYTYFYAPIPMAPG-UHFFFAOYSA-N 359.382 0.492 0 40 FCAB CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2=O)c1 3511255 WOOGDUSFIDDWND-UHFFFAOYSA-N 354.384 0.243 0 40 FCAB CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 4897093 QPYHMAYKGWLLPN-UHFFFAOYSA-N 367.471 0.485 0 40 FCAB Cn1nc(Oc2nc(N3CCCCC3)nc(N3CCOCC3)n2)ccc1=O 6745404 METSHWHPZDQENK-UHFFFAOYSA-N 373.417 0.585 0 40 FCAB C[C@H](OC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)C(N)=O 7547606 NJNSMLKEOQRDPV-QWRGUYRKSA-N 365.411 0.265 0 40 FCAB COc1cccc(NC(=O)Cn2c(=O)c3c(OC)ccnc3n(C)c2=O)c1 9571599 LTMGGIKWPNQOBU-UHFFFAOYSA-N 370.365 0.751 0 40 FCAB Cn1cc(S(=O)(=O)NCC2(c3ccccc3)CCC2)c(=O)n(C)c1=O 14158584 KILVJKADTLWVNY-UHFFFAOYSA-N 363.439 0.484 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc4nnnn4n3)CC2)s1 14189699 JTFXYGFPBDDSTL-UHFFFAOYSA-N 365.444 0.400 0 40 FCAB CCc1noc(CCC(=O)N2CCO[C@H](C(=O)N3CCCCC3)C2)n1 19747143 BIIPILHMPCBEFG-ZDUSSCGKSA-N 350.419 0.805 0 40 FCAB Cc1cnc2c(C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)cnn2c1 19748952 SURILJWMGRDJOL-ZDUSSCGKSA-N 365.459 0.972 0 40 FCAB COCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 20566659 MDOXVXRRTDHMSV-GNEJLTCGSA-N 357.410 0.690 0 40 FCAB CC(C)CNC(=O)CN1CCN(CN2C(=O)C(=O)c3ccccc32)CC1 23248875 LYWKLIOUCZKTLQ-UHFFFAOYSA-N 358.442 0.563 0 40 FCAB Cc1nn(C)c(C)c1NC(=O)CN1CCN([C@H](C)C(=O)NC2CC2)CC1 24243616 VMDRFOQRYMHZJI-CQSZACIVSA-N 362.478 0.260 0 40 FCAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1Cn1cncn1 25151554 BKGXXHZTYKUENV-OAHLLOKOSA-N 363.443 0.367 0 40 FCAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2cnccn2)CC1 25343039 FGTQLBOVDSTKQD-UHFFFAOYSA-N 372.429 0.380 0 40 FCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N(CC(N)=O)c3ccccc3)ccc21 27914438 RBHQINDMKDGCLJ-UHFFFAOYSA-N 374.422 0.558 0 40 FCAB Cn1cccc(C(=O)NCCn2nc(-c3ccccc3)n(C)c2=O)c1=O 36708558 QWNZQVBNYIDZEW-UHFFFAOYSA-N 353.382 0.378 0 40 FCAB NC(=O)CCN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 52115470 BUSXQAODSKLSDY-UHFFFAOYSA-N 369.443 0.030 0 40 FCAB COc1ccnc(N2CCN(CCCN3C(=O)NC(C)(C)C3=O)CC2)n1 58209378 UOKLEAQTMYEFQS-UHFFFAOYSA-N 362.434 0.328 0 40 FCAB O=C(Cn1c(-c2cccc(Br)c2)noc1=O)N1CCNC1=O 58210239 XYYRADMPHRLNTH-UHFFFAOYSA-N 367.159 0.818 0 40 FCAB NC(=O)C1CCN(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)CC1 84525608 XQVSPSLVJWTFPC-OAHLLOKOSA-N 353.444 0.502 0 40 FCAB COC[C@H](O)CN1CCC(NC(=O)Nc2cnn(CC(F)F)c2)CC1 89871626 MFBDHTIJHFJFOD-CYBMUJFWSA-N 361.393 0.741 0 40 FCAB O=C(NCCCn1nc2n(c1=O)CCCC2)c1ncn(-c2ccccc2)n1 95452943 KENYWKGDSCISEZ-UHFFFAOYSA-N 367.413 0.782 0 40 FCAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)cnc1N 97020807 ADVWELFHJGMYHG-SECBINFHSA-N 372.838 0.869 0 40 FCAB C[C@H](Nc1cccc(C(N)=O)c1)C(=O)N1CCN(c2ncccn2)CC1 97057590 RSOGWMGSLKYHKD-ZDUSSCGKSA-N 354.414 0.725 0 40 FCAB Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)c1 253471784 FRUQWADVWPGWBX-FVQBIDKESA-N 368.455 0.726 0 40 FCAB CS(=O)(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3cnccc3[nH]2)C1 514289072 NDUNAKXTOGUFCE-QWRGUYRKSA-N 352.416 0.873 0 40 FCAB biogenic,in-vitro CCS[C@@H]1CCC[C@@H]1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 530891639 PFRBIISFEJIPSF-ROJVCUBYSA-N 352.456 0.939 0 40 FCAB CCCS(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cccn3C)[C@H]2C1 575403296 GXXAEUMUDAPZQR-GZBFAFLISA-N 355.460 0.442 0 40 FCAB CC(C)c1ccc(S(=O)(=O)NCCN[C@@H]2CCS(=O)(=O)C2)cc1 575422242 UDVMFXOLGQWLLS-CQSZACIVSA-N 360.501 0.865 0 40 FCAB O=C(Cn1nc(C2CC2)ccc1=O)NCc1ccc(N2CCOCC2)nc1 575619769 LLPUHCLEEQIGLW-UHFFFAOYSA-N 369.425 0.669 0 40 FCAB Cc1cc(C)n(CC(=O)N2CC[C@](O)(COc3ccccc3)C2)c(=O)n1 585276364 NFZADYCWXHSLPX-LJQANCHMSA-N 357.410 0.903 0 40 FCAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cccn(C)c2=O)CC1 585322341 HRWXPGDJPQRBJV-UHFFFAOYSA-N 364.427 0.197 0 40 FCAB Cc1nnc2ccc(N3CC(N(C)C(=O)c4cc5n(n4)CCCO5)C3)nn12 585606670 CYAMSAXVTTVADR-UHFFFAOYSA-N 368.401 0.373 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)[C@@H]2CCc3ccccc3C2)CCO1 653279676 ZTUMFNPLSJQMFC-QZTJIDSGSA-N 374.437 0.952 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCCn2ncc(C(=O)N3CCCC3)c2C1 1565545533 JRBPYVQASGWPIE-UHFFFAOYSA-N 368.459 0.286 0 40 FCAB COC1(CNC(=O)COc2ccccc2F)CCN(S(C)(=O)=O)CC1 1888899194 ZUFAHSTVVVORMP-UHFFFAOYSA-N 374.434 0.761 0 40 FCAB Cn1cnc(S(=O)(=O)N2CC[C@H]3OC[C@@H](C(=O)NC4CC4)C[C@H]3C2)c1 2055730094 ZAIFTGWNTGBKRT-SGMGOOAPSA-N 368.459 0.114 0 40 FCAB CC(=O)c1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccncc2)n[nH]1 2055747916 ZHRSZQUMQXUYEH-DLBZAZTESA-N 355.398 0.733 0 40 FCAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(S(=O)(=O)N(C)C)CC1 2055750544 BMJBTEDVXZCMIF-UHFFFAOYSA-N 370.475 0.494 0 40 FCAB CC(C)(C)CC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cncn1)CO2 2332243194 QLEDYYVUJAAPIB-LBPRGKRZSA-N 356.448 0.109 0 40 FCAB CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[C@H]1C(=O)O 4215810 RPBAFSBGYDKNRG-NJBDSQKTSA-N 351.428 0.222 0 40 FCAB biogenic,in-man COC(=O)C1=NN[C@]2(C)C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 4831903 ITHDNBAZZIEUGA-OTYXRUKQSA-N 366.171 0.829 0 40 FCAB CC(C)NC(=O)C[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](O)[C@H]1O 8624286 GMRYLIVRQXFKBL-HDEZJCGLSA-N 356.850 0.834 0 40 FCAB biogenic,in-vitro COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc(N)cc(O)n1 8762805 QRJCJIMOCFDKGK-NSHDSACASA-N 362.411 0.757 0 40 FCAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCCCC2)cc1 11904378 XXGNHLIAPJIYFB-UHFFFAOYSA-N 358.441 0.928 0 40 FCAB O=C(O)c1cc(S(=O)(=O)NCc2nnc3n2CCCCC3)ccc1O 13198390 JWWBUPLEQVHSKW-UHFFFAOYSA-N 366.399 0.887 0 40 FCAB CCOc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1 13671518 OEWQGSGVIJYVQQ-UHFFFAOYSA-N 369.443 0.152 0 40 FCAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(S(C)(=O)=O)CC2)cc1 14094176 ZUBIAOXYDHXXEE-GFCCVEGCSA-N 353.444 0.793 0 40 FCAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(N2CCOCC2)nc1 14241239 DWHLEHOATQNXLD-UHFFFAOYSA-N 373.413 0.818 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)O)n2Cc1ccc(F)cc1 16839478 XABVIEMEEVPOCU-UHFFFAOYSA-N 364.358 0.787 0 40 FCAB CN(C)CCNC(=O)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCCNC1 19582871 XUNQVHGZOVZDFI-KBXCAEBGSA-N 350.463 0.769 0 40 FCAB COCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229627 HODIDSIBPHRBMP-CQSZACIVSA-N 356.444 0.919 0 40 FCAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)NC3CC3)ccc21 28325094 YJHIJSAZWHUYOY-ZDUSSCGKSA-N 365.411 0.563 0 40 FCAB CC(C)Cn1nc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 52603337 WXMRTZGLRKVWLU-LBPRGKRZSA-N 363.439 0.969 0 40 FCAB Cc1ccoc1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 58216920 LGUOYJTZAKPJBP-OKILXGFUSA-N 371.459 0.700 0 40 FCAB O=S(=O)(NC[C@H]1OC[C@@H](NCc2ccncc2)[C@@H]1O)c1ccccc1 77265427 NSFBCOMQMAYJAQ-ZACQAIPSSA-N 363.439 0.278 0 40 FCAB biogenic,in-vitro COc1ccccc1-c1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)n[nH]1 95478296 CWTYKUZJZAQJRD-UHFFFAOYSA-N 364.427 0.803 0 40 FCAB CCN(CC)Cc1cc(=O)n2c(n1)CN(C(=O)c1ccnnc1)CCC2 96197555 PIUWLBGTLCOCTK-UHFFFAOYSA-N 356.430 0.921 0 40 FCAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222892033 NPNNBKBEGHQDRE-LBPRGKRZSA-N 373.450 0.570 0 40 FCAB CCS(=O)(=O)CCN1CC2(C[C@@H](Oc3cncc(C)n3)CCO2)C1 253601247 NIVQEYMRNZEWED-AWEZNQCLSA-N 355.460 0.832 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCN1Cc1ccccc1 257234270 GSVLQLWHFUUHCW-QGZVFWFLSA-N 368.437 0.458 0 40 FCAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCCn3cccn3)C2)ncn1 257338924 YZLFMVWDJKYTED-SFHVURJKSA-N 358.446 0.862 0 40 FCAB CNC(=O)c1ccc(CS(=O)(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)cc1 289125672 KWVVDJSLWHEROQ-KBPBESRZSA-N 369.487 0.263 0 40 FCAB O=C1C[C@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CN1 541176908 ILGLBVKIUOCQKQ-LURJTMIESA-N 354.160 0.398 0 40 FCAB O=C1N[C@@H](C(F)(F)F)CC[C@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 670405481 HPZBMMRQXCHKOD-RKDXNWHRSA-N 362.308 0.938 0 40 FCAB O=C(c1cscn1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@@H]2C1 1549161690 JQIWYEMBEFJQMX-LBPRGKRZSA-N 362.411 0.411 0 40 FCAB Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCC(CC(N)=O)CC3)cc2=O)n1 1625875599 FUQWERPQYFYZCG-UHFFFAOYSA-N 358.402 0.300 0 40 FCAB Cn1c(NCCO)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 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Cc1ncoc1C(=O)N1CC[C@]2(CCC[C@H](CNS(C)(=O)=O)O2)C1 96217455 KWKDGBMEAHUWQW-IUODEOHRSA-N 357.432 0.686 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)Cc3ccco3)C2)O1 96219118 OZKNLIAUHADXEN-GOEBONIOSA-N 356.444 0.912 0 40 FCAB COC[C@](C)(NCC(=O)/N=c1/cc[nH]n1Cc1cccc(C)c1)C(=O)OC 101909469 TWKICFNNBNJDIF-ODENVGOISA-N 374.441 0.768 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCO)C1 408713754 SNTKBZNSYUBVQF-LBPRGKRZSA-N 374.434 0.734 0 40 FCAB O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(Cc4cccnc4)C3)N2C1 514289810 OWOGTJAGJPGIGB-WOJBJXKFSA-N 365.481 0.982 0 40 FCAB biogenic,in-vitro O=C(NC[C@H]1CCC2(CN(C(=O)c3cnccn3)C2)OC1)c1cnccn1 575404071 MCAUGYOUMLIZNE-CYBMUJFWSA-N 368.397 0.318 0 40 FCAB O=C(C[C@H]1CN(S(=O)(=O)C(F)(F)F)Cc2ccnn21)N1CCC1 585095922 UMGCPXAASJSCCQ-JTQLQIEISA-N 352.338 0.712 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)c3cccc(F)c3)C[C@H]21 585110216 XTRSWEWEIUHDSH-OCCSQVGLSA-N 358.373 0.824 0 40 FCAB CCCN(CC(=O)Nc1cn(CC)nc1C)C[C@@H]1COC[C@@H](O)[C@H]1O 585291180 MUFGUHXDRHRHJT-UNEWFSDZSA-N 354.451 0.230 0 40 FCAB CCC[C@@H](C(=O)N[C@@](C)(CC(=O)OC)c1ccncc1)S(N)(=O)=O 597533077 WCEDBZWUMZSNPK-WFASDCNBSA-N 357.432 0.433 0 40 FCAB CN(C)CCN1CCO[C@H]2CCN(C(=O)Cn3cc(Cl)cn3)CC[C@H]21 1565545415 HUNHTPLQQFXNNE-CVEARBPZSA-N 369.897 0.790 0 40 FCAB COC[C@@H]1CCC2(CCN(C(=O)c3cc[nH]n3)CC2)N1S(C)(=O)=O 2055839559 NYPRJKWHGGWBHC-LBPRGKRZSA-N 356.448 0.455 0 40 FCAB CCc1cccc(OC[C@@H]2Cn3c(nc4c3c(=O)n(C)c(=O)n4C)O2)c1 4371059 VKDLPAOVRLBXNV-ZDUSSCGKSA-N 356.382 0.836 0 40 FCAB CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 8993181 XKEBOOGSTGQKKM-STQMWFEESA-N 371.459 0.989 0 40 FCAB C[C@H]1Oc2ccc(S(=O)(=O)NCCCN3CCCC3=O)cc2NC1=O 12187710 GCTOKIOOCXYCNK-LLVKDONJSA-N 367.427 0.697 0 40 FCAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN(C)C(N)=O 14185403 WPNWJWLWAZUEKG-UHFFFAOYSA-N 357.208 0.823 0 40 FCAB CCn1c(=O)oc2cc(S(=O)(=O)NCCN3CCOCC3)ccc21 19936867 MSNGEJIKJPSJMZ-UHFFFAOYSA-N 355.416 0.225 0 40 FCAB O=C(NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccn1 32070995 DWXKXJBRMIGULH-INIZCTEOSA-N 366.421 0.976 0 40 FCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2o1 39985868 UUMDUMKZMVWMRM-LBPRGKRZSA-N 351.428 0.953 0 40 FCAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CC(=O)NC(C)C 40120118 OCPDXSLMIPYTAC-HNNXBMFYSA-N 362.409 0.887 0 40 FCAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CC(F)(F)F)CC2)C[C@@H](C)O1 42753162 VAPHKMRUNCNEHQ-GHMZBOCLSA-N 373.397 0.437 0 40 FCAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2cccnc2-n2ccnc2)C1=O 44899572 DJXXZDDPQLPQMZ-SFHVURJKSA-N 368.397 0.604 0 40 FCAB COc1ccc2c(c1)N(CN(C1CC1)[C@H]1CCS(=O)(=O)C1)C(=O)C2=O 58162434 AQROQEISWKNGAE-LBPRGKRZSA-N 364.423 0.834 0 40 FCAB CN1CCN(C[C@@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)O)CC1 61721460 GSFNDNOFPOLJHT-CYBMUJFWSA-N 363.414 0.735 0 40 FCAB CCCS(=O)(=O)N1CCN(CCNC(=O)COc2ccccc2)CC1 72243072 XVZPJIAOJALLHF-UHFFFAOYSA-N 369.487 0.539 0 40 FCAB CC[C@H](C(=O)Nc1cccc(C(=O)NCC(=O)OC)c1)N1CCCC1=O 76023181 QQVQFULRYCSOFW-CQSZACIVSA-N 361.398 0.929 0 40 FCAB COCC[C@@H](NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)C(N)=O 95463338 BFZILLJSKCLUJH-CYBMUJFWSA-N 364.377 0.311 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CC(S(=O)(=O)Cc2ccco2)C1 96122127 VARXYJWGVNUVRH-UHFFFAOYSA-N 360.413 0.872 0 40 FCAB CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3ccncc3)CC2)CC1 106041521 GTUKAEMLDOWTGQ-UHFFFAOYSA-N 359.474 0.392 0 40 FCAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NC1CCN(C)CC1)O2 113952941 XWLVGBKQJJKXPS-INIZCTEOSA-N 367.471 0.732 0 40 FCAB CC(C)c1nnc(CCC(=O)N2CC[C@@H]3OCC(=O)N(C)[C@H]3CC2)o1 257202371 ALLZXHFHAUGPNY-STQMWFEESA-N 350.419 0.974 0 40 FCAB O=c1c(=O)n2c(nn1CC1CCC1)[C@@H]1CN(Cc3cccnc3)C[C@H]1C2 306131751 KOSSYKBARAHEOB-JKSUJKDBSA-N 353.426 0.829 0 40 FCAB NS(=O)(=O)N1CCN(C(=O)c2ccc(O[C@H]3CC3(F)F)cc2)CC1 528354557 QMMLIMBRYCGODG-LBPRGKRZSA-N 361.370 0.434 0 40 FCAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C2 575402375 BQSFORFZNYJEDN-NSHDSACASA-N 364.471 0.703 0 40 FCAB CN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1cccc2cccnc12 575425456 FGLGWEHBSWAAAP-RYUDHWBXSA-N 356.425 0.013 0 40 FCAB CNC(=O)/C=C/CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 585150689 MLELWHTVHSYJIY-AATRIKPKSA-N 365.455 0.893 0 40 FCAB Cc1nnc2n1C[C@H](C(=O)NCCc1nn(C)c3ccccc13)N(C)C2 644432555 MUBSBDVAWISDCX-MRXNPFEDSA-N 353.430 0.646 0 40 FCAB COCc1ccc(C(=O)N2CCO[C@H](CN(CC(=O)O)C(C)=O)C2)cc1 681943243 UXGQAEPCTXMWTB-INIZCTEOSA-N 364.398 0.607 0 40 FCAB Cc1cc([C@@H](O)CNS(=O)(=O)c2ccc(OCC(N)=O)cc2)c(C)o1 1565520280 LPBSATVLRJDNER-HNNXBMFYSA-N 368.411 0.772 0 40 FCAB COCCN1C(=O)CN(C2CCN(c3ncnc4[nH]cnc34)CC2)C1=O 1888866944 BWHMASSZRJIOEW-UHFFFAOYSA-N 359.390 0.232 0 40 FCAB NC(=O)c1ccc(NC(=O)CCC(=O)Nc2ccc(C(N)=O)cn2)nc1 1694632 NYNSAUIGSRAZFR-UHFFFAOYSA-N 356.342 0.032 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1 3415784 LBYBDLIIQZGBNI-SNVBAGLBSA-N 366.486 0.062 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3ccc(F)cc3)C2=O)C1 5023905 HUMQQDYESBDLDB-KRWDZBQOSA-N 361.329 0.999 0 40 FCAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCN(C)C 5339737 ZTMMKSZAYKGCRY-UHFFFAOYSA-N 368.459 0.151 0 40 FCAB NC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c2ccccc2O1 6851007 MBBSTRKXVSBXHY-MLGOLLRUSA-N 369.377 0.908 0 40 FCAB COC(=O)C1CCN(C(=O)COC(=O)c2cccc(OC)c2O)CC1 9504133 MUQAJWROTNJITM-UHFFFAOYSA-N 351.355 0.969 0 40 FCAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(OC)c1 9827347 VCLCYYPFUMIEOS-UHFFFAOYSA-N 364.427 0.861 0 40 FCAB Cn1cc(C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 14702613 DDPRLMXIARDBIY-UHFFFAOYSA-N 365.411 0.798 0 40 FCAB CCOc1ccc2[nH]cc(NC(=O)NCCN3CCOCC3)c(=O)c2n1 19519983 MSPYJKKLYZPISL-UHFFFAOYSA-N 361.402 0.776 0 40 FCAB Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)cc([C@H]2CCCN2)n1 19698004 HSEUTFUILXERIT-OAHLLOKOSA-N 353.492 0.743 0 40 FCAB CCC(CC)[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)N1CCOCC1 47595265 RAZZXXCUSHGDLK-LSDHHAIUSA-N 361.508 0.610 0 40 FCAB O=C(Nc1cccc(-n2cnnc2)c1)C(=O)N[C@H](CO)Cc1ccccc1 49545264 ZIYMPEFTTXWJLG-INIZCTEOSA-N 365.393 0.926 0 40 FCAB CN1C(=O)CO[C@@H](C(=O)NCCN2CCOCC2)[C@@H]1c1ccccc1F 72241633 GOLPRPXKMNDWCZ-DLBZAZTESA-N 365.405 0.172 0 40 FCAB Cc1ccc(CN2CCN(C(=O)CN3CCC[C@@H](O)C3)CC2=O)cc1C 72473050 OXQPNOJEKVZSTD-GOSISDBHSA-N 359.470 0.931 0 40 FCAB CN1C[C@@]23CN(C(=O)NCCc4ccccc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146072 YVIGXHMDNKNGDP-HLLBOEOZSA-N 365.455 0.426 0 40 FCAB CC(C)(O)N1B(Cl)N(C(C)(C)O)B(Cl)N(C(C)(C)O)B1Cl 195756999 DYGJEGBXSGCCRP-UHFFFAOYSA-N 358.080 0.762 0 40 FCAB Cn1cc(C(=O)N[C@@H]2CC[C@@H](N3CCNC(=O)C3)[C@@H]2O)c2ccccc21 257204155 ATGGRLZNUFNOAQ-QGPMSJSTSA-N 356.426 0.232 0 40 FCAB COc1cccc([C@H]2C[C@@](O)(CNC(=O)c3cncnc3)[C@H](O)[C@@H](C)O2)c1 257211785 CAIYPXROVQYAFT-MYFFOXHASA-N 373.409 0.857 0 40 FCAB COCCN1C(=O)CO[C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)C[C@@H]21 257284912 PEVARTGZKGJLFR-STQMWFEESA-N 350.419 0.405 0 40 FCAB COCCNC(=O)Cc1cn2c(n1)[C@@H](C)N(Cc1cc(C)nn1C)CC2 306139082 SOYOTYSNBOJUMN-CQSZACIVSA-N 360.462 0.807 0 40 FCAB CC(=O)N1CCC(C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 553086001 IJPJUPCNMOSCGG-HUUCEWRRSA-N 359.492 0.469 0 40 FCAB COC(=O)CCc1nnc(NC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4OC)s1 554255237 QCDMEWUROSJCJL-HATUHQCHSA-N 366.443 1.531 0 40 FCAB Cc1ccc([C@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)N2CCOCC2)o1 555540010 AYVYNUBVKQUAKM-AWEZNQCLSA-N 371.397 0.727 0 40 FCAB O=S1(=O)C[C@@H](O)[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575425770 WFWLUMPAWIZDCH-VHSXEESVSA-N 360.240 0.430 0 40 FCAB CN1CCN([C@H]2CN(Cc3cccc(CN4CCOCC4)c3)C[C@@H]2O)CC1 585273848 SFGSHYPOQVHNOZ-SFTDATJTSA-N 374.529 0.311 0 40 FCAB COC[C@@]1(C(N)=O)CCCN1S(=O)(=O)c1cc(C)c(OC)cc1C 643703438 SXPTUYGCHMZEKQ-MRXNPFEDSA-N 356.444 0.967 0 40 FCAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cn1nc2n(c1=O)CCCC2 650044187 DHZORRNOYWPICR-AWEZNQCLSA-N 355.398 0.085 0 40 FCAB NC(=O)c1cnn2c(C(=O)N3CCC[C@@](O)(C(F)(F)F)CC3)ccnc12 1117259531 UXWIDKBWJXRLKG-AWEZNQCLSA-N 371.319 0.748 0 40 FCAB Cc1ccc(C)c(OC[C@H](O)CNC[C@@H](O)CN2CCCC2=O)c1C 1118242438 ZHBWAARCZQBCAP-IAGOWNOFSA-N 350.459 0.924 0 40 FCAB Cn1ncc(C(F)(F)F)c1CNC(=O)N1CCC2(CC1)NC(=O)CO2 1615592793 VCQWMZJTYZXXQI-UHFFFAOYSA-N 361.324 0.587 0 40 FCAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(Cc1ccncc1)CC2 1772595308 LLCSQSXHXBCMGX-GOSISDBHSA-N 373.501 0.478 0 40 FCAB Cn1cc(-c2cncc(N3CCN(c4ccnc(C(N)=O)c4)CC3)n2)cn1 2087044636 DVYRUCIDGDUAFZ-UHFFFAOYSA-N 364.413 0.698 0 40 FCAB CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)OC(C)(C)C)C(N)=O 4186375 DQPATYLWJCKMTG-CKYFFXLPSA-N 358.439 0.032 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCO)C2)cc1C 5000382 BWYQNVIKGBJNAG-CQSZACIVSA-N 370.471 0.903 0 40 FCAB COCCN1C(=O)/C(=C\NC[C@@H]2CC2(Cl)Cl)C(=O)NC1=S 6908264 OCXHYUXCTQMZLR-VQKCLUMFSA-N 352.243 0.543 0 40 FCAB CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 8939761 XXEGZIFBFGHLFW-JTQLQIEISA-N 355.821 0.506 0 40 FCAB in-vitro COC(=O)c1cc(NC(=O)CCN2C(=O)CCC2=O)cc(C(=O)OC)c1 9336258 CXMLEMRVVMBMMW-UHFFFAOYSA-N 362.338 0.737 0 40 FCAB CCN1CCN(S(=O)(=O)CCNC(=O)COc2ccc(F)cc2)CC1 12422843 QVPOHXXXWGOXHT-UHFFFAOYSA-N 373.450 0.288 0 40 FCAB Cn1c(=O)c2cc(C(=O)N[C@H]3CCOc4ccccc43)cnc2n(C)c1=O 12822108 ZYCIYTPFVRUDMC-AWEZNQCLSA-N 366.377 0.886 0 40 FCAB Cc1nn(CN2CCN(C(=O)N3CCOCC3)CC2)c(=O)c2ccccc12 12868766 REMPJYKEJXDJFR-UHFFFAOYSA-N 371.441 0.732 0 40 FCAB O=S(=O)(CCc1ccccc1)N1CCN(c2ccc3nncn3n2)CC1 13847807 QLDPWMFFWZTFPF-UHFFFAOYSA-N 372.454 0.819 0 40 FCAB Cc1nn(C)c(C)c1NC(=O)CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 24243621 VMDRFOQRYMHZJI-AWEZNQCLSA-N 362.478 0.260 0 40 FCAB CS(=O)(=O)N1CCN(CC(=O)N2CC=C(c3ccccc3)CC2)CC1 24508977 ZVSXVTKTNXSEBC-UHFFFAOYSA-N 363.483 0.880 0 40 FCAB CS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 24859949 NKKVMAUURFJXEK-QWHCGFSZSA-N 354.428 0.614 0 40 FCAB COc1ccc(C(=O)O[C@@H]2C[C@H](C)OC2=O)cc1S(=O)(=O)N(C)C 32736520 PZMACRKXHZOVPK-JOYOIKCWSA-N 357.384 0.806 0 40 FCAB COCCn1c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nc(C)c1C 32893994 XYPQRKPXRNYRLG-LBPRGKRZSA-N 361.489 0.542 0 40 FCAB Cc1cc(NC(=O)CN2CCN(c3nnnn3-c3ccccc3)CC2)no1 36406047 RIFSWEITBXBWRW-UHFFFAOYSA-N 368.401 0.719 0 40 FCAB O=C(Nc1ccsc1C(=O)NCCN1CCOCC1)c1cnccn1 67335676 FXHAAVPIFZTIHM-UHFFFAOYSA-N 361.427 0.852 0 40 FCAB COCCn1cc(NC(=O)N2CCC[C@H]2CN2CCC[C@@H]2CO)cn1 72314076 JABWRYCJDNTHGZ-JKSUJKDBSA-N 351.451 0.983 0 40 FCAB O=S1(=O)CC[C@H](CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 95449635 DHEFJHBFBUUWHA-MRVPVSSYSA-N 363.848 0.929 0 40 FCAB CN(C)C(=O)COC[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CO1 96209419 NGPHAJYBMZMPLT-INIZCTEOSA-N 350.463 0.896 0 40 FCAB Cc1nc(N2CCCC2)nc2c1CN(S(=O)(=O)c1cn(C)cn1)CC2 96253832 GJRHTJXJIWZCOZ-UHFFFAOYSA-N 362.459 0.866 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)cc1 257206439 BDKWKUGVVOSLFJ-BRWVUGGUSA-N 354.472 0.840 0 40 FCAB CN1CCN(C[C@@]2(O)CCN(S(=O)(=O)Cc3ccccc3)C2)CC1 257257804 KREALTIPHHWOHM-KRWDZBQOSA-N 353.488 0.201 0 40 FCAB Nc1nc(N)c2c(n1)O[C@@]1(COCCN(Cc3cccc(C(=O)O)c3)C1)C2 257279575 OHGRYWZGWPNRBE-SFHVURJKSA-N 371.397 0.545 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](c2cncc(-c3cnn(C)c3)n2)C1 257332801 XYSBUUCJCVKQHQ-LBPRGKRZSA-N 350.448 0.863 0 40 FCAB Cc1cncc(C(=O)N2CC3(C2)CN(C)[C@H](C(=O)NC2CCCC2)CO3)c1 575405971 LOWDCAKDGNVAPY-KRWDZBQOSA-N 372.469 0.974 0 40 FCAB CN(C)C(=O)COCC[C@@H]1CCOC12CCN(S(=O)(=O)C1CC1)CC2 585104725 LOHKQVNEDDSBOA-CQSZACIVSA-N 374.503 0.845 0 40 FCAB Cc1ncccc1NC(=O)[C@@H]1COC[C@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]12 585108498 XKKSDIZTRGCCTL-MGPQQGTHSA-N 370.413 0.492 0 40 FCAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)Cn2cccnc2=O)CCO1 585278166 REFQWBVDEMTDRJ-IBGZPJMESA-N 357.410 0.384 0 40 FCAB OC1(CN2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CCOCC1 585284105 UZTYBQHMVPGUQI-SFHVURJKSA-N 373.396 0.948 0 40 FCAB CN(CC1CCN(Cc2ccc(F)cn2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O 585290460 DOBNEMXRZSOMGN-KURKYZTESA-N 353.438 0.485 0 40 FCAB COc1cccc([C@H](C(=O)O)N2CCN(S(=O)(=O)C3CC3)CC2)c1 634692818 KJKXHUQPOJPRLB-OAHLLOKOSA-N 354.428 0.931 0 40 FCAB COCCN1C(=O)C[C@H](C(=O)NCC2=CCCOC2)[C@H]1c1nccn1C 1615545985 DOJBKDWEIJHXIH-HOCLYGCPSA-N 362.430 0.419 0 40 FCAB O=C(NC1CN(c2cnccn2)C1)c1ccc(N2C(=O)CCC2=O)cc1 1888856997 KWLBDJQGPQOIBO-UHFFFAOYSA-N 351.366 0.749 0 40 FCAB Cn1ccc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)n1 1888899228 NTDUNUQAJRZBRV-TXEJJXNPSA-N 352.402 0.305 0 40 FCAB Cn1cc(N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)c(=O)n(C)c1=O 1889101125 UDYAUQUYAWBJMC-UHFFFAOYSA-N 373.413 0.348 0 40 FCAB Cn1cnc(C(=O)N2Cc3nnn(C)c3[C@@H](COCc3ccncc3)C2)n1 2055750821 BWIYLFVOZXZFFS-CYBMUJFWSA-N 368.401 0.295 0 40 FCAB CN1C(=O)[C@H]2[C@@H](N=C(N3CCOCC3)N2CCc2ccccc2)N(C)C1=O 4600114 UVKOOJAMXQJHHM-CVEARBPZSA-N 371.441 0.451 0 40 FCAB NC(=O)C1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1 15842489 KBOPBYQJAHLVEU-UHFFFAOYSA-N 365.411 0.091 0 40 FCAB COCCCNC(=O)CN1CCN(CC(=O)Nc2cccc(F)c2)CC1 22799692 SMNVNVWVAGXLCD-UHFFFAOYSA-N 366.437 0.535 0 40 FCAB COc1ccc(OC[C@H](O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)cc1 22835395 JUTLFYDVKDKBOD-CQSZACIVSA-N 369.381 0.888 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)NCCc2cccc(F)c2)CC1 26148690 UFNPRXKBCYENFN-UHFFFAOYSA-N 358.439 0.502 0 40 FCAB COCCn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1=O 32784263 KIDJHDLKHIYQTL-UHFFFAOYSA-N 358.398 0.979 0 40 FCAB C[C@@H](Sc1nnc(C2CC2)n1CC(N)=O)c1nc(N)nc(N(C)C)n1 32830987 DMRUAGKMPVSBTM-SSDOTTSWSA-N 363.451 0.327 0 40 FCAB CN1CCN(CC(=O)N2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)CC1 40386188 TUTIGWZAPSTJDC-MRXNPFEDSA-N 356.426 0.412 0 40 FCAB COc1ccc(CNC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cn1 45636216 KBLOJAXXRDFLDY-JKSUJKDBSA-N 364.446 0.627 0 40 FCAB CC(C)NC(=O)Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN12 72348109 KEXKKPZAVTTYLO-UHFFFAOYSA-N 360.805 0.792 0 40 FCAB Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 81065153 HILUYBFVJDOTIZ-CQSZACIVSA-N 361.427 0.686 0 40 FCAB O=C1CC[C@@H](C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)N1 90607899 GZYJLQVAMHNHMG-ZDUSSCGKSA-N 367.413 0.542 0 40 FCAB CCn1cc(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cn1 96005090 WTIROLJIVDZOBP-UHFFFAOYSA-N 362.477 0.138 0 40 FCAB COCCN(C)C(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 96147333 LIXRAMOYUIKCOB-UHFFFAOYSA-N 364.427 0.725 0 40 FCAB Cn1cc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1C(N)=O 97015846 IUSYBHSXPZMGRZ-GFCCVEGCSA-N 350.400 0.361 0 40 FCAB Cc1ccccc1OC[C@H](O)Cn1c(S)nc2c1c(=O)[nH]c(=O)n2C 100566033 YULIGCXEJLZULD-SNVBAGLBSA-N 362.411 0.460 0 40 FCAB Cc1cc(NC(=O)CN2CCC[C@@H](CO)C2)n([C@@H]2CCS(=O)(=O)C2)n1 105710038 ZMVQQSWVFKNMIJ-ZIAGYGMSSA-N 370.475 0.194 0 40 FCAB CNc1cc(N2CCC[C@@](O)(CNC(=O)c3cnc(C)cn3)C2)ncn1 257264811 LWCAHIAZSSNWNS-QGZVFWFLSA-N 357.418 0.378 0 40 FCAB CN1CCN(C[C@]2(O)CCN(C(=O)CCc3cc(Cl)no3)C2)CC1 257288263 PTOFIQUECOOWNL-MRXNPFEDSA-N 356.854 0.471 0 40 FCAB CCn1cc(CN2C[C@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@H]3C2)cn1 306143235 XWXMTMCIBLIUMU-KBPBESRZSA-N 355.446 0.691 0 40 FCAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2nnc(C)s2)no1 408688323 QOCPSZQBSSWJKW-UHFFFAOYSA-N 353.360 1.044 0 40 FCAB O=C1[C@H](NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C[C@H]2CCCCN12 518136130 IDYIVEXINGSRDE-LDYMZIIASA-N 369.374 0.692 0 40 FCAB COc1cccc(NC(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)c1 528609797 LJHOOTRWWTVPBR-UHFFFAOYSA-N 353.444 0.744 0 40 FCAB Cc1ccc(S(=O)(=O)NCCN[C@]2(C)CCS(=O)(=O)C2)cc1C 575423846 RPYAZUQVXTUTIX-OAHLLOKOSA-N 360.501 0.749 0 40 FCAB CN1CCN(C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)CC1 585284492 SQUUURJKJOWAEQ-WMZOPIPTSA-N 367.877 0.525 0 40 FCAB CC(C)n1ncc2c1C[C@@H](NC(=O)N1CC(NS(C)(=O)=O)C1)CC2 637082010 CZMBKGQGFPUPKV-LBPRGKRZSA-N 355.464 0.264 0 40 FCAB Cc1cnn(C[C@H]2CN(C(=O)c3cnc(C4CCNCC4)[nH]3)CCO2)c1 685943355 ZYNMPTFNPIWFAB-OAHLLOKOSA-N 358.446 0.923 0 40 FCAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 2055771939 KSCXJMFGPOWZPH-LJQANCHMSA-N 370.409 0.918 0 40 FCAB CC(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)O 4264725 VBVNAGGXPWGYAJ-WDGLWCAOSA-N 373.402 0.608 0 40 FCAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C\C(=O)O)cc2)CC1 4657164 QZBAALRRMMUOIK-SREVYHEPSA-N 353.400 0.202 0 40 FCAB NS(=O)(=O)c1ccc(OCCOc2ccc(S(N)(=O)=O)cc2)cc1 4769126 OZBAIJFKBCDSST-UHFFFAOYSA-N 372.424 0.439 0 40 FCAB CN(CC(=O)O)C(=O)NC[C@@H]1CCC[C@@H](CNC(=O)N(C)CC(=O)O)C1 5525236 QTGHXCHFZAVOEG-VXGBXAGGSA-N 372.422 0.245 0 40 FCAB CN(CCOc1ccc(Cl)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 8120588 QWMQRXXWNHNYIQ-ZDUSSCGKSA-N 360.863 0.954 0 40 FCAB O=C(NC[C@H]1O[C@@H](CC(=O)N2CCCC2)[C@H](O)[C@@H]1O)NC1CCCCC1 8643408 CTHGXPWCVIMXJS-HDEZJCGLSA-N 369.462 0.120 0 40 FCAB biogenic,in-vitro C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=NN3CC(=O)OCC)n(C)c1=O 8704293 QNHDNKNKAAHEGE-FNORWQNLSA-N 374.401 0.232 0 40 FCAB COC(=O)C1CCN(C(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)CC1 9418649 XPUVOKAFBLDGBH-UHFFFAOYSA-N 372.429 0.981 0 40 FCAB COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2C(C)C)n(C)c1=O 12231548 GQCWNLKPWMQPCR-UHFFFAOYSA-N 374.401 0.453 0 40 FCAB NC(=O)CCc1nn(CN2CCOCC2)c(=S)n1C[C@@H]1CCCO1 12808625 YSJMBODTVWMCMV-LBPRGKRZSA-N 355.464 0.301 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NC[C@H]1CCCO1 13580940 YQTHAEBGDFAUJX-GFCCVEGCSA-N 360.407 0.750 0 40 FCAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 24906649 QQPLKQHXIBJESJ-NEPJUHHUSA-N 355.398 0.872 0 40 FCAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cnn(C)c3)C2=O)cc1 25306514 FUHKVDUCTTYNHR-KRWDZBQOSA-N 357.370 0.834 0 40 FCAB COC(=O)CCCNC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O 32123877 MLXWCGIMDWABFW-UHFFFAOYSA-N 363.370 0.483 0 40 FCAB biogenic C[C@@H]1CN(CCCNC(=O)Cn2nnc3ccccc3c2=O)C[C@@H](C)O1 32795961 GSFRXIXPJIMGLI-ZIAGYGMSSA-N 359.430 0.407 0 40 FCAB O=S1(=O)CC[C@H](N2CCN(S(=O)(=O)c3cccs3)CC2)C1 34850674 OYUSMOAZKLEEAK-NSHDSACASA-N 350.487 0.242 0 40 FCAB CC(=O)N1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)Oc2ccccc21 40040744 UDNBKRDVCBIVKV-KRWDZBQOSA-N 367.409 0.939 0 40 FCAB CCOC(=O)[C@H](CO)N[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41104828 MNLNZIJOLOZQMO-KGLIPLIRSA-N 365.430 0.543 0 40 FCAB CNC(=O)NC(=O)CCN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 58227144 BBCVLKMKXDEBNF-HNNXBMFYSA-N 352.778 0.953 0 40 FCAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)NCc1ccco1 72348061 LSDBGGKGOHMSLM-UHFFFAOYSA-N 364.365 0.524 0 40 FCAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@@H]([C@@H](C)O)C3)C2=O)cc1 96003351 WAVQPBUYCLCFRD-LPMFXHHGSA-N 359.426 0.991 0 40 FCAB CC(=O)NCC(=O)N1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244303 KURPQIULMNVDDO-IBGZPJMESA-N 367.409 0.675 0 40 FCAB COc1ccc(N2C(=O)C[C@@H](SC[C@H](N)C(=O)O)C2=O)c(OC)c1 101273524 DLULGAGNMZEQBH-JOYOIKCWSA-N 354.384 0.481 0 40 FCAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)O 102806099 INHBBLAAKUFQTQ-UMNHJUIQSA-N 359.423 0.761 0 40 FCAB biogenic CC(=O)N1C[C@H]2CN(C(=O)c3ccccc3C)CCN2C[C@@H](C(=O)O)C1 107768868 PQVLVTROGFZRPJ-HZPDHXFCSA-N 359.426 0.684 0 40 FCAB Cc1nn(C)cc1CCC(=O)NC[C@@]1(O)CCCN(c2cnccn2)C1 257214479 CMDKTQQHVZFREG-SFHVURJKSA-N 358.446 0.599 0 40 FCAB Cc1cc(C)n(CCCC(=O)NC[C@]2(O)CCN(c3ncccn3)C2)n1 257321395 WBMKLIDPUMKVFN-GOSISDBHSA-N 358.446 0.828 0 40 FCAB COc1cc(N2Cc3ccnn3[C@@H](C(=O)NCc3ccccn3)C2)ncn1 306136202 PMLNKVXXKBLZQY-OAHLLOKOSA-N 365.397 0.954 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 409255415 KDXZENYOLOTFCW-LBPRGKRZSA-N 353.444 0.386 0 40 FCAB CCN1C(=O)CO[C@H](C(=O)N(C)c2cc(OC)ccn2)[C@H]1c1cnn(C)c1 606445707 CBWYOCAJNJRPOP-SJORKVTESA-N 373.413 0.775 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(S(=O)(=O)Cc2ccc(C)cc2F)C1 643695853 BOZBNEMEUSCDDB-INIZCTEOSA-N 358.435 0.927 0 40 FCAB CN1CCS(=O)(=O)C[C@@H]1CC(=O)Nc1nc2cc(F)ccc2n1C 644373806 BTDOGOWVZOFSDB-NSHDSACASA-N 354.407 0.770 0 40 FCAB COCCN1C[C@H]2C(=O)N(C)C3(CCN(C(=O)c4cc[nH]c4)CC3)[C@@H]2C1 1565546519 FNCZJARMVKUHJX-HZPDHXFCSA-N 360.458 0.656 0 40 FCAB CC(C)NC(=O)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2CCN1CCOCC1 1775963901 IXIISELHVQUTPU-MWDXBVQZSA-N 366.506 0.899 0 40 FCAB biogenic,in-vitro CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ncnc(C)c2C)CC1 2055745992 XSPMPFSVJAQDSN-UHFFFAOYSA-N 371.445 0.082 0 40 FCAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 2633494 PNAJMKPNQYHKFZ-VXGBXAGGSA-N 370.427 0.387 0 40 FCAB C[C@H](O)CNC(=O)Cn1c(=O)[nH]c2sc3c(c2c1=O)CC(C)(C)OC3 8768838 ZBQNDYHRUHQMTP-QMMMGPOBSA-N 367.427 0.100 0 40 FCAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1cc(C)on1 9508342 OAAXIWRRKRSDKN-UHFFFAOYSA-N 369.355 0.435 0 40 FCAB O=C(Cn1ncc2cccn2c1=O)N1CCN(c2ccccc2F)CC1 12117319 TWVXZGSZTMYUBX-UHFFFAOYSA-N 355.373 0.984 0 40 FCAB Cc1ccc(C)c(OC[C@@H]2Cn3c(nc4c(=O)n(C)c(=O)n(C)c43)O2)c1 12818471 BZKFUTXFNFICNH-LBPRGKRZSA-N 356.382 0.891 0 40 FCAB C[C@H](NC(=O)Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)c1ccco1 13009701 NEENMPNWJSRHDG-IINYFYTJSA-N 351.334 0.929 0 40 FCAB O=C(/C=C/S(=O)(=O)c1ccc(Cl)cc1)N1CCS(=O)(=O)CC1 14000496 TVDRKFATZWBDOB-VMPITWQZSA-N 363.844 0.884 0 40 FCAB O=C(NCc1cccnc1)C(=O)NC[C@H](c1ccco1)N1CCOCC1 22769451 IBDCBLVKEVDOOG-OAHLLOKOSA-N 358.398 0.481 0 40 FCAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 24780492 SLNOQKQPVKTWIM-UHFFFAOYSA-N 368.459 0.026 0 40 FCAB Cc1nn(CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1Br 27981592 AGAJTJXWTBLWBE-VIFPVBQESA-N 350.238 0.566 0 40 FCAB COc1cc2c(O)nc3c(C(=O)N4CCN(C)CC4)nnn3c2cc1OC 33435962 AWWRMVCAJUICRI-UHFFFAOYSA-N 372.385 0.388 0 40 FCAB C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)NC(N)=O)C1=O 42178506 CPTYEHQKZUZSCP-CYBMUJFWSA-N 358.276 0.667 0 40 FCAB CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382426 IAJHRILCVSELDE-ZIAGYGMSSA-N 374.393 0.753 0 40 FCAB Cc1nnnn1-c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 71279970 MASUPBCUHBXUBX-UHFFFAOYSA-N 372.410 0.548 0 40 FCAB NC(=O)C1CCN(C(=O)CNC(=O)N2CCN(c3ccccc3)CC2)CC1 71280151 NQZLWBWMUVDRPT-UHFFFAOYSA-N 373.457 0.242 0 40 FCAB CCCCCn1c(N2CCN(C(C)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C 72260138 KTVVJKSLTRCYDT-UHFFFAOYSA-N 362.434 0.282 0 40 FCAB O=C(Cn1ccc2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 72402038 KCMWNGKPNXBOKZ-INIZCTEOSA-N 361.467 0.973 0 40 FCAB Cc1nc(-c2ccc(OC[C@@H](O)CN3CCNC(=O)C3(C)C)cc2)no1 72405422 OLTUNTAYVZUZTC-AWEZNQCLSA-N 360.414 0.995 0 40 FCAB Cn1ncc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1C(=O)O 95455633 VXNVNGADWQJYKM-UHFFFAOYSA-N 359.385 0.323 0 40 FCAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(C(=O)c1cnccn1)CC2 96199865 GUPPXVRDBHWGRA-AWEZNQCLSA-N 354.414 0.831 0 40 FCAB Cc1cc(N2CCC[C@@H](NS(=O)(=O)CC3CCOCC3)C2=O)n(C)n1 97010033 SRMADZLDEGQJJS-CQSZACIVSA-N 370.475 0.570 0 40 FCAB CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)cc1 97013276 SQXNBIVBZSAZSD-ZDUSSCGKSA-N 370.456 0.885 0 40 FCAB CCOC(=O)N(CCNC(=O)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 217364832 WPKZPHYJOUWOMY-KGLIPLIRSA-N 370.427 0.033 0 40 FCAB Cc1cc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)n(C)n1 227168468 BIMAHKOPFSDVAS-JTQLQIEISA-N 350.400 0.926 0 40 FCAB Cc1ccc(C(=O)N2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)s1 247814503 BPXGIZDTRZLAMV-LBPRGKRZSA-N 354.457 0.999 0 40 FCAB O=C(N[C@@H]1CN(Cc2cccc(OCCO)c2)C[C@H]1O)c1ccccn1 257280606 OLOAZSKWECVQDW-QZTJIDSGSA-N 357.410 0.428 0 40 FCAB CC(C)(C(=O)N1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1)n1cncn1 257297405 RHDKCJRBKFUDRY-JTQLQIEISA-N 352.420 0.156 0 40 FCAB CC1(C)[C@H]2O[C@H]2[C@H]2[C@@]1(O)[C@@H](O)C[C@]13C[C@](C)(O)[C@@H](CC[C@H]1[C@@]2(C)O)[C@H]3O 257575379 VUMZHZYKXUYIHM-LDKUAIRVSA-N 368.470 0.185 0 40 FCAB biogenic CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC(CO)(c3ccccc3)C2)nn1 576149443 WZJAGJXRICHQBE-HZPDHXFCSA-N 358.398 0.251 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)CCC2CCOCC2)CCO1 681943690 NONUWSODBSVXNP-OAHLLOKOSA-N 356.419 0.354 0 40 FCAB Cn1c(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2n(C)c1=O 1440325 BCHUXMOZNRHTEC-UHFFFAOYSA-N 351.428 0.848 0 40 FCAB CN(C(=O)CN1C(=O)NC2(CCCCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 5320223 CKZMXOPEJKKOLV-LBPRGKRZSA-N 371.459 0.277 0 40 FCAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc[nH]n1 6415107 OYYUOHZJFXEVAZ-UHFFFAOYSA-N 365.415 0.397 0 40 FCAB CC(C)Cn1c(SCc2nc(N)nc(N(C)C)n2)nc(O)cc1=O 8708411 BDMKFARCJSGPJC-UHFFFAOYSA-N 351.436 0.730 0 40 FCAB O=C(CSc1nnnn1Cc1cccs1)N[C@H]1CCS(=O)(=O)C1 9647586 SACWLBRVLYESHP-VIFPVBQESA-N 373.485 0.178 0 40 FCAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCOCC1 11905925 WBNOSWGKUHLFQY-UHFFFAOYSA-N 374.440 0.082 0 40 FCAB CCS(=O)(=O)N1C[C@H](C(=O)NCCCN(C)C)Oc2ccccc21 13677226 IUNJQRWVUQKYBF-OAHLLOKOSA-N 355.460 0.672 0 40 FCAB C[C@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)C(=O)N1CCOCC1 16680714 ZWGPBXBLOJAKSF-NSHDSACASA-N 373.438 0.921 0 40 FCAB COCC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19694943 DEXNYAFJRWBUFW-AWEZNQCLSA-N 358.402 0.546 0 40 FCAB O=C(NCCCN1CCOCC1)C(=O)NCCc1ccc(Cl)cc1 19805814 HPVLGBJJKYRVOJ-UHFFFAOYSA-N 353.850 0.837 0 40 FCAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC2(CC1)NC(=O)NC2=O 21473824 NLFYBRNYYJNUJT-UHFFFAOYSA-N 359.382 0.641 0 40 FCAB CN(Cc1cnn(C)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 24482408 RQWGAKIEIJAMIM-UHFFFAOYSA-N 368.415 0.306 0 40 FCAB O=C(CN1CCN(C(=O)COc2ccc(F)cc2F)CC1)NC1CC1 24573498 NYKDOMBQZBWRCP-UHFFFAOYSA-N 353.369 0.766 0 40 FCAB Nc1nc(SCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)n[nH]1 24985281 IHVUAUWPPFGWDN-CYBMUJFWSA-N 362.459 0.496 0 40 FCAB Cn1ccnc1[C@H](NS(=O)(=O)N1CCOCC1)c1cccc(F)c1 32900065 ZPEZJGCYDIYEOX-CQSZACIVSA-N 354.407 0.815 0 40 FCAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2)c1 40285600 JAVSPFATJKGXKB-MRXNPFEDSA-N 366.381 0.759 0 40 FCAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccnc(N2CCOCC2)c1 48276571 DKAOFYNKJLPFIY-CYBMUJFWSA-N 358.398 0.946 0 40 FCAB Cc1ccc([C@H](CNC(=O)Cn2cnc3c(cnn3C)c2=O)N(C)C)cc1 58217966 YEXLBCALWYTZKZ-INIZCTEOSA-N 368.441 0.858 0 40 FCAB CS(=O)(=O)N1CCc2nc(NC(=O)c3ccc(O)nn3)sc2C1 77155056 RKEFWXYWMSZTGO-UHFFFAOYSA-N 355.401 0.209 0 40 FCAB COCCN1CCC2(CC1)[C@@H](c1cnn(C)c1)CC(=O)N2CCOC 96199892 WOEDKXJXJFUMCR-MRXNPFEDSA-N 350.463 0.863 0 40 FCAB CCc1ccc(N2C(=O)C[C@@H](Nc3cc(=O)n(C)c(=O)n3C)C2=O)cc1 100416857 RAUOEGREBDAUPT-CYBMUJFWSA-N 356.382 0.390 0 40 FCAB COCCN1C(=O)C[C@H]2[C@H]1CCN2S(=O)(=O)c1cc(F)cc(F)c1 107251606 NKBPDPCYIFIJFR-KGLIPLIRSA-N 360.382 0.975 0 40 FCAB Cc1nc2ncnn2c(N2CCN(c3ccc4nnc(C)n4n3)CC2)c1C 156561890 AEQXAKWBNWNDKZ-UHFFFAOYSA-N 364.417 0.814 0 40 FCAB CCOCCCNS(=O)(=O)c1ccc(NCCCO)c(C(=O)O)c1 217641377 HOVHGLKGPHRGJH-UHFFFAOYSA-N 360.432 0.884 0 40 FCAB CNc1nc([C@H]2CCN(C(=O)CN3CCCC3=O)C2)nc2c1CCN(C)C2 257216674 CVQDSEWDTNATTD-ZDUSSCGKSA-N 372.473 0.445 0 40 FCAB O=S(=O)(N1CCOCC1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257280253 OKCBETUWBQFREU-CYBMUJFWSA-N 351.432 0.714 0 40 FCAB CC(C)Cc1cc(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)n(C)n1 257338439 YXKQXMXXPKYZTO-GOSISDBHSA-N 350.463 0.528 0 40 FCAB CC[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 562296463 LPRIMZAVBWRRSL-ZIAGYGMSSA-N 358.460 0.902 0 40 FCAB Cn1ccnc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCCS3)C2)c1=O 569254723 DVMHYTQNJDHTPR-OLZOCXBDSA-N 351.476 0.944 0 40 FCAB Cn1c(=O)n(CC(=O)Nc2ccn(C(C)(C)C(=O)O)n2)c2ccccc21 659199119 DMOIXYFHDOJDEJ-UHFFFAOYSA-N 357.370 0.995 0 40 FCAB C[C@@H](C(=O)N1CCC(Nc2cccnn2)CC1)n1cnc2c(N)ncnc21 668335057 PDMGLYBYBIHLMM-NSHDSACASA-N 367.417 0.863 0 40 FCAB O=C(CCc1cncnc1)N1CC[C@H]2[C@H]1CCN2S(=O)(=O)C1CC1 1565544816 SHOGVNDQRNUDKW-CABCVRRESA-N 350.444 0.577 0 40 FCAB Cn1c(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)CCO3)C2)cccc1=O 1565550396 BVXMJFGJWAGPQR-UHFFFAOYSA-N 363.414 0.847 0 40 FCAB Cn1ncc2c(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)ncnc21 1888866255 IPRUFGLGINZPSQ-UHFFFAOYSA-N 355.402 0.759 0 40 FCAB Cn1ccc(=NC2(C(=O)NCc3ccco3)CCN(C(=O)C3CC3)CC2)[nH]1 2055746215 AMFSPNPQRVPLIF-UHFFFAOYSA-N 371.441 0.935 0 40 FCAB COC1(CNC(=O)NCc2cccs2)CCN(S(C)(=O)=O)CC1 2069560456 MYGZEYZSXCCKTJ-UHFFFAOYSA-N 361.489 0.988 0 40 FCAB O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NCc1cccs1 2648999 QSKIFGRJPKTITI-UHFFFAOYSA-N 373.390 0.611 0 40 FCAB C[C@H](NC(=O)c1ccco1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 3351330 CPXUWCJVOTVXHQ-NSHDSACASA-N 365.411 0.404 0 40 FCAB O=C(O)CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC1CCCCC1 4511887 MEMBHURUESYFTM-ZDUSSCGKSA-N 354.403 0.834 0 40 FCAB in-vitro C[C@]1(N2C(=S)S[C@@H]3CS(=O)(=O)C[C@@]32C)CCS(=O)(=O)C1 5677046 WMKJDMHAWLNELT-MIMYLULJSA-N 355.528 0.453 0 40 FCAB Cc1nnc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1 5894475 FDZLSFPGMAPUQZ-GFCCVEGCSA-N 366.468 0.971 0 40 FCAB COc1ccc(S(=O)(=O)Nc2ncc([C@@H](N)CC(=O)O)cn2)cc1 8701479 ZQFJZXGMAIMJIN-LBPRGKRZSA-N 352.372 0.761 0 40 FCAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC(=O)C(C)C)cc1 13681827 SVCBPUTULQOJQK-KBPBESRZSA-N 359.469 0.707 0 40 FCAB O=C(Cn1ncc2ccccc2c1=O)N1CCN(C(=O)c2ccco2)CC1 14199737 HUPZOUFXGSTMCH-UHFFFAOYSA-N 366.377 0.974 0 40 FCAB CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O)C(=O)O 16899583 NFTNXTDMVJTAOP-CHWSQXEVSA-N 350.396 0.949 0 40 FCAB CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)C1=NNC(=O)CC1)C2 19017175 RNHVXGSWTJWKPF-OAHLLOKOSA-N 370.413 0.311 0 40 FCAB Cc1c(C(=O)N2CCN(CC(=O)N(C)C)CC2)nnn1-c1ccccc1F 19557782 SMTADJYLPBVWOX-UHFFFAOYSA-N 374.420 0.561 0 40 FCAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Cn1nnc2ccccc21 19748998 AHGUEZWEDZSQGV-CYBMUJFWSA-N 365.459 0.752 0 40 FCAB CC(C)OCCCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 21224028 JRPVAEIOUIKZLK-GFCCVEGCSA-N 359.448 0.083 0 40 FCAB COc1ccc(CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(OC)c1 25207182 XBWQPYUJVBOYQK-UHFFFAOYSA-N 371.459 0.197 0 40 FCAB CN(C)c1c(N)n(C)c(=O)n(CC(=O)Nc2cccc3ccccc23)c1=O 32682462 SGQPIEMZJIGFBY-UHFFFAOYSA-N 367.409 0.987 0 40 FCAB O=C(CN1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1)NC1CC1 35325198 PMNSQCMLQRZSEP-UHFFFAOYSA-N 353.426 0.909 0 40 FCAB COc1cccc(NC(=O)[C@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 36366599 ZPAOLIRLLBJDKV-CMPLNLGQSA-N 355.416 0.509 0 40 FCAB CCN(CC(=O)NC)C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 40118819 YSULPNSURQPNFB-UHFFFAOYSA-N 355.460 0.924 0 40 FCAB CCCCN(C(=O)Cn1nnnc1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 48302834 DZMBAYAVHWCIBS-LBPRGKRZSA-N 357.480 0.786 0 40 FCAB CC(C)(CNC(=O)c1nc2ccccc2c(=O)[nH]1)N1CCS(=O)CC1 72305938 OUVULVXCMDBWBN-UHFFFAOYSA-N 362.455 0.496 0 40 FCAB Cc1cc(N2CCC[C@@H](NS(=O)(=O)C[C@@H]3CCCCO3)C2=O)n(C)n1 97010006 WJOTYVAJBPCSPO-UONOGXRCSA-N 370.475 0.712 0 40 FCAB O=C1C[C@H](N2CCN(c3cnccn3)CC2)C(=O)N1Cc1ccccc1 103022539 VYTJLWMTPUBPAW-INIZCTEOSA-N 351.410 0.926 0 40 FCAB CS(=O)(=O)N[C@H]1CCOC2(CCN(C(=O)c3cccnc3)CC2)C1 108534506 HQNAJOGEDJPMAZ-AWEZNQCLSA-N 353.444 0.785 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(c1cc(OC)ncn1)CC2 247843430 LUXKTSPVZPNGSR-ZDUSSCGKSA-N 370.475 0.610 0 40 FCAB CC(=O)N1CCC[C@@H](C(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)C1 562326987 OZJQSGYIDFDVCT-CVEARBPZSA-N 350.463 0.849 0 40 FCAB CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc(CCN2CCOCC2)cc1 605401754 KPWOQAJIPUGEBS-UHFFFAOYSA-N 374.441 0.830 0 40 FCAB Cn1cc(N2C[C@H](C(=O)Nc3cccc4c3CCNC4=O)CC2=O)cn1 627764250 YCLIPIHFQRXSIN-LLVKDONJSA-N 353.382 0.698 0 40 FCAB NC(=O)c1ccc(CCC(=O)N2CCN(CCc3cnccn3)CC2)cc1 634508952 RZRLKHGWJPPRBF-UHFFFAOYSA-N 367.453 0.895 0 40 FCAB CN(C)C(=O)c1cccc(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1 639955283 ZLECBAQDEPJBRR-RTBURBONSA-N 372.425 0.312 0 40 FCAB CC[C@H]1CO[C@H](CC)CN1C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 651992156 YBRGUGGCXOEADW-QWHCGFSZSA-N 369.443 0.840 0 40 FCAB Cc1cc(N(C)C)nc(N2CCN(c3ncnc4c3ncn4C)CC2)n1 1889136313 HSPJSCPYYLBSLQ-UHFFFAOYSA-N 353.434 0.854 0 40 FCAB CC(=O)CCCCn1c(=O)c2c(nc(Br)n2C)n(C)c1=O 1646906 FUOVLWFMUJGYNB-UHFFFAOYSA-N 357.208 0.956 0 40 FCAB biogenic COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 2334115 IEJXRXFBPWDFBP-UHFFFAOYSA-N 361.377 0.679 0 40 FCAB biogenic CCOC(=O)CCCC(=O)N1CCOCCOCCOCCOCC1 3900467 SVIOKZAFZALZRT-UHFFFAOYSA-N 361.435 0.628 0 40 FCAB CCOc1ccnc2c1c(=O)n(CC(=O)N1CCCCCC1)c(=O)n2C 9571831 KBYCEOUZBBFMEF-UHFFFAOYSA-N 360.414 0.897 0 40 FCAB Cc1cc(C)cc(N([C@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1 10284245 SSAINCGFOOFHEA-OAHLLOKOSA-N 367.471 0.759 0 40 FCAB COCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)s1 14016689 WMWLUSDITWRUHZ-UHFFFAOYSA-N 371.278 0.894 0 40 FCAB COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2NC2CC2)cc1C 15885405 WVQBBERDRJBLPK-DZGCQCFKSA-N 359.469 0.695 0 40 FCAB COc1c(CN2CC[C@@H]3CN(C(C)=O)C[C@]3(NC(C)=O)C2)c(C)nn1C 19713582 JUXLXFPSLOTHPG-CRAIPNDOSA-N 363.462 0.296 0 40 FCAB CC[C@]1(C)NC(=O)N(NC(=O)CN2CCN(c3nccs3)CC2)C1=O 21335511 UFVIWJNCVPANBK-HNNXBMFYSA-N 366.447 0.017 0 40 FCAB Cc1nc(C2(NC(=O)Cn3cnc4c(cnn4C)c3=O)CCCCC2)no1 23508602 FIIFXRIDGKXEHD-UHFFFAOYSA-N 371.401 0.797 0 40 FCAB CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 24584699 DKOPSEGKZREWGD-OAHLLOKOSA-N 358.402 0.758 0 40 FCAB CCNC(=O)[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 24832109 IVSAIKYRHOKCLO-ZDUSSCGKSA-N 355.460 0.565 0 40 FCAB CCN(c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(C)(=O)=O 26111421 ZBXGPKJNGVEKDD-UHFFFAOYSA-N 353.444 0.810 0 40 FCAB CC1CCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 30873060 UPCYBSKDEVOVIU-MRXNPFEDSA-N 374.551 0.743 0 40 FCAB COC(=O)c1ccc(O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 40005754 RUUQDHUYGVGXSH-WCQYABFASA-N 355.412 0.886 0 40 FCAB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H](CO)C3)nc2)CC1 57366978 NYMRSDOUQCNLGM-CQSZACIVSA-N 354.476 0.226 0 40 FCAB CC[C@H](C)C(=O)NCC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 58216776 FJVHKEAPRKDOBC-AWEZNQCLSA-N 371.445 0.473 0 40 FCAB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccn[nH]2)c2ccccc2)CC1 61717545 FPTFSCRCNYQXLA-OAHLLOKOSA-N 356.430 0.453 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2snc(C(=O)NC(C)C)c2N)CC1 62006829 FTEYVYKMWGFIND-UHFFFAOYSA-N 369.447 0.778 0 40 FCAB COC(=O)[C@H]1COCCN1CC(=O)NCCOc1ccc(Cl)cc1 72309454 AVGVKXHBYVTURC-CQSZACIVSA-N 356.806 0.709 0 40 FCAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(OCCCN(C)C)CC1 95407308 IZFZCJMLMPJDKY-CVEARBPZSA-N 368.522 0.532 0 40 FCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1ccncc1)C2 96050428 UNIMDINCCLYIBW-LJQANCHMSA-N 368.441 0.655 0 40 FCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1cccnc1)C2 96230562 AELYRKVIOVDMMH-LJQANCHMSA-N 368.441 0.655 0 40 FCAB Cc1cc(C(=O)NC[C@]2(COc3cccnc3)C[C@H](O)[C@H](O)C2)n(C)n1 107430663 CNNVJYYFQXPKMS-ALXJQNPVSA-N 360.414 0.434 0 40 FCAB biogenic,in-vitro CS(=O)(=O)NC[C@H]1CN(C(=O)Cc2ccsc2)Cc2cncn21 247489956 BDDWMTNQGRYKCB-ZDUSSCGKSA-N 354.457 0.620 0 40 FCAB Cc1ncsc1C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1 257239064 HNUHEIZQMMAOGU-IJLUTSLNSA-N 371.459 0.913 0 40 FCAB CNc1nccnc1C[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 257245959 IRVZRALVTSDXSD-CYBMUJFWSA-N 355.464 0.350 0 40 FCAB Cn1cnc(S(=O)(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)c1 257290801 QEJGLNPZFLAEHB-ZDUSSCGKSA-N 351.432 0.420 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)c2cccc(O)n2)C1 257342646 ZPNPROURSKHJLH-SNVBAGLBSA-N 350.400 0.934 0 40 FCAB COCCN1C[C@H](COC)C2(CCN(c3ccc4nncn4n3)CC2)C1 306132011 KVOQOPHUYOIEMT-OAHLLOKOSA-N 360.462 0.936 0 40 FCAB Cc1csc(S(=O)(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c1 565521163 JNRKCDLAUDACMR-SNVBAGLBSA-N 355.445 0.773 0 40 FCAB Cn1nc(C(F)(F)F)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O 622989891 VEONKJPFMREITO-UHFFFAOYSA-N 355.280 0.521 0 40 FCAB O=C(NCc1ccccn1)[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]2OCC[C@H]21 1614936496 ZICFVTHUSSLCMY-XLNGHYISSA-N 359.426 0.598 0 40 FCAB O=C(NC[C@@H]1CC[C@@]2(COCCN(C(=O)C3CC3)C2)O1)c1ccnnc1 2055793509 MXYQWBVBFZHNFQ-MAUKXSAKSA-N 360.414 0.393 0 40 FCAB CC(C)NC(=O)[C@@H](C)N1CCN(Cc2nnc([C@H]3CCOC3)o2)CC1 2086866236 UUZZNZMUOKJVPO-KGLIPLIRSA-N 351.451 0.604 0 40 FCAB Cc1nnc2c(N3CCC(N(C)S(=O)(=O)C4CC4)CC3)nccn12 2086988594 YGIFZOQVLIXAOM-UHFFFAOYSA-N 350.448 0.826 0 40 FCAB CCCn1c(SCC(=O)NC(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 930425 RXEIABHCJTUOGV-UHFFFAOYSA-N 367.475 0.851 0 40 FCAB Cc1ccc(OC[C@H]2Cn3c(nc4c3c(=O)n(C)c(=O)n4C)O2)cc1C 4371055 HCSKBOYMPQRNRN-CYBMUJFWSA-N 356.382 0.891 0 40 FCAB O=C1NC(=O)[C@@H]2NC(=O)N(S(=O)(=O)c3cccc4ccccc34)[C@H]2N1 6476749 AFOOKWOVMKSLSA-VXGBXAGGSA-N 360.351 0.088 0 40 FCAB Cc1c(C(N)=O)sc2ncn(CC(=O)NC[C@H]3CCCO3)c(=O)c12 19989811 SPKADARTXUHYNX-SECBINFHSA-N 350.400 0.161 0 40 FCAB Cc1cc(S(=O)(=O)N2CCN(C=O)CC2)ccc1N1CCCC1=O 20462558 JZJFZBMIYOWMCS-UHFFFAOYSA-N 351.428 0.585 0 40 FCAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCOCC2)C1 23212131 DSUWYTKZKMTWLS-HNNXBMFYSA-N 361.508 0.277 0 40 FCAB COCCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OC)C(C)C)cc2C1=O 32646606 NWVAJIQUVMQLKL-CQSZACIVSA-N 362.382 0.856 0 40 FCAB C[C@H]1C[C@H](OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)C(=O)O1 32736550 CWIYFHYROUXBLR-ONGXEEELSA-N 352.368 0.362 0 40 FCAB CCOC(=O)c1c(C)n[nH]c1S(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1 40151532 YHRHDABJABITGO-LLVKDONJSA-N 373.431 0.859 0 40 FCAB Cn1c(=O)c2c(ncn2Cc2ccn(-c3cccc(F)c3)n2)n(C)c1=O 58180288 BMULUTMNYJYALM-UHFFFAOYSA-N 354.345 0.807 0 40 FCAB CCCNC(=O)CN1CCN(C(=O)N[C@H]2CCCc3c2cnn3C)CC1 59321856 RAMQZUMHQWQRCS-HNNXBMFYSA-N 362.478 0.651 0 40 FCAB CSC[C@@H](CCO)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 89745627 LIWFEFFZJGWAMP-SNVBAGLBSA-N 359.473 0.269 0 40 FCAB CCCCOCCCNC(=O)CCC(=O)NCCCN1CCOCC1 199421609 HTQNBEYTDMMQNU-UHFFFAOYSA-N 357.495 0.928 0 40 FCAB Cc1cc(C(=O)N2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)c(C)o1 247533660 PROKVFVTSAQUJL-ZDUSSCGKSA-N 352.416 0.839 0 40 FCAB CCC[C@H](C(=O)N[C@](C)(CC(=O)OC)c1ccncc1)S(N)(=O)=O 597533073 WCEDBZWUMZSNPK-IUODEOHRSA-N 357.432 0.433 0 40 FCAB CCOC(=O)CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(=O)OC 1565504878 ZAFKLSDNZTZUKA-LBPRGKRZSA-N 372.418 0.951 0 40 FCAB CN1C(=O)C[C@H](C(=O)N2CCC(Cn3cncn3)CC2)[C@H]1c1nccn1C 1615590529 PZNRDGWZSXIIKB-HOCLYGCPSA-N 371.445 0.470 0 40 FCAB Cn1c(N2CCO[C@@H](C(=O)N3CCSCC3)C2)nc2ccccc2c1=O 2086861449 OVIBCWBGWQJYMJ-OAHLLOKOSA-N 374.466 0.714 0 40 FCAB Cc1cc(C)n2nc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)nc2n1 4313213 CKHVNEOCJASGAM-JTQLQIEISA-N 355.445 0.137 0 40 FCAB Cc1ccccc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 4583785 CCEWTRMUKYDDHW-UHFFFAOYSA-N 361.423 0.940 0 40 FCAB CNC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 4896903 XBYRBUQFCKKPGX-CYLBJCKXSA-N 373.453 0.494 0 40 FCAB COCCn1nnnc1CN1CCC(NC(=O)c2cccc(OC)c2)CC1 4910246 CWRKQYBMKXYZDG-UHFFFAOYSA-N 374.445 0.723 0 40 FCAB CNC(=O)c1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1 7012795 BCZFGYKGRQMANN-UHFFFAOYSA-N 372.381 0.718 0 40 FCAB Cc1cc(=O)oc2ccc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)cc12 7736487 OBIITTWRFGSJHH-NSHDSACASA-N 351.380 0.784 0 40 FCAB CC(C)(C)NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1 8849017 YELDWHZUOXISFS-UHFFFAOYSA-N 361.377 0.611 0 40 FCAB C[C@H]1CN(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)CCO1 10611738 XOWUZIOXGALRSJ-LRDDRELGSA-N 370.409 0.878 0 40 FCAB COC[C@@H](C)NC(=O)[C@H]1C[C@@H](c2ccc(F)cc2)NS(=O)(=O)N1C 12159501 QUZMBGOXWRZYIX-DDTOSNHZSA-N 359.423 0.556 0 40 FCAB C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12893686 DYYPKPANWMUYGT-VNKDHWASSA-N 366.443 0.089 0 40 FCAB O=C(CN1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1)NC1CC1 12994421 DGIYFSYCDWSTKP-QHHAFSJGSA-N 357.410 0.851 0 40 FCAB CC(=O)N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 14112313 JOYPJGOXEDQWDL-UHFFFAOYSA-N 364.471 0.828 0 40 FCAB CCCNC(=O)CNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 22692339 YDKFYPSOAIEBDW-KKUMJFAQSA-N 363.458 0.995 0 40 FCAB O=C(Cc1csc(N2CCNC2=O)n1)NCc1nnc2ccccn12 46786581 SDCPKWQYCGVUHW-UHFFFAOYSA-N 357.399 0.574 0 40 FCAB O=C(c1cnccn1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 48985587 XIABUZMYBNNNSM-UHFFFAOYSA-N 355.402 0.066 0 40 FCAB O=C(CN1C=NC2=NS(=O)(=O)c3ccccc3N21)NCc1ccco1 71890316 MBIASTVTPGNCAR-UHFFFAOYSA-N 359.367 0.720 0 40 FCAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCC1 80296553 ZBHGXXWZONGLBI-ZDUSSCGKSA-N 364.471 0.716 0 40 FCAB C[C@H](Oc1ccccc1F)C(=O)NCCn1nc(-n2cncn2)ccc1=O 96025177 YJJPBEHWOWQXID-LBPRGKRZSA-N 372.360 0.547 0 40 FCAB Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(S(C)(=O)=O)C1 96244615 UQVKEGKZHIVYQG-INIZCTEOSA-N 368.459 0.055 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2ccncc2)C[C@]2(CNC(=O)C2)C1 96262039 HSGOCIVVPGFMTG-SFHVURJKSA-N 359.430 0.464 0 40 FCAB CN1CCN(C[C@@]2(O)CCN(C(=O)CCc3cc(Cl)no3)C2)CC1 257288262 PTOFIQUECOOWNL-INIZCTEOSA-N 356.854 0.471 0 40 FCAB CCCCS(=O)(=O)N1CC[C@H](CNc2nc(OC)cc(OC)n2)C1 585082508 AKCYJRRLBRQBJX-GFCCVEGCSA-N 358.464 1.358 0 40 FCAB Cn1nnc2c1[C@H](COCCN1CCCC1)CN(C(=O)C1(F)CC1)C2 585110890 UYFKASVQXYLCAY-ZDUSSCGKSA-N 351.426 0.855 0 40 FCAB CC1(C)[C@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@H]2CCCO[C@H]21 608033339 ZNVCBLPARCRPJV-MGPQQGTHSA-N 374.484 0.816 0 40 FCAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1ccc(=O)[nH]n1 2658647 BGQWUAGDTHMRLX-XYOKQWHBSA-N 371.378 0.631 0 40 FCAB COc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C 4370785 OEKXVSYYICBBHM-UHFFFAOYSA-N 371.353 0.142 0 40 FCAB Cn1c(=O)c2c(nc(SCC(=O)O)n2Cc2ccncc2)n(C)c1=O 5728768 CCLKRXSDXHEUDO-UHFFFAOYSA-N 361.383 0.054 0 40 FCAB CC(=O)N1CCN(C(=O)COC(=O)c2cncc(Br)c2)CC1 6916544 XDYIERIPBXLGOL-UHFFFAOYSA-N 370.203 0.692 0 40 FCAB COc1cc(CNn2cnnc2)cc(Br)c1OCC(N)=O 7601871 BSWOULTYKJIDTN-UHFFFAOYSA-N 356.180 0.657 0 40 FCAB CCCSc1nnc(SCC(=O)c2c(N)n(C)c(=O)[nH]c2=O)s1 9337651 VZSZGRTYAVBNOE-UHFFFAOYSA-N 373.485 0.984 0 40 FCAB C[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCO2 10993540 YKEVUIUXRGYAQG-UWVGGRQHSA-N 355.368 0.720 0 40 FCAB CCn1cc([C@@H]2C[C@@H](C(=O)N3CCCC3)N(C)S(=O)(=O)N2)c(C)n1 12130651 RZGWMDFEBWBYCZ-KBPBESRZSA-N 355.464 0.413 0 40 FCAB Cn1c(=O)c2c(nc(NN)n2Cc2cccc3ccccc23)n(C)c1=O 12601145 DRFXAYLPHRBXET-UHFFFAOYSA-N 350.382 0.921 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 22276289 WWBVYFXKTONDGO-HNNXBMFYSA-N 366.439 0.618 0 40 FCAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 30848503 OLWWGYXVJVZIAC-LBPRGKRZSA-N 350.371 0.849 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 45393176 RGRKBEZURURZFP-UHFFFAOYSA-N 363.443 0.659 0 40 FCAB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 57509048 WIJKTXONTZVLON-WBVHZDCISA-N 365.499 0.843 0 40 FCAB COC(=O)c1ccc(OC[C@H](O)Cn2nnc(-c3cccnc3)n2)cc1 58217877 FVPSLYZAGQPQGF-CQSZACIVSA-N 355.354 0.962 0 40 FCAB O=C(c1cccs1)N1CC(C(=O)N2CCN(c3ncccn3)CC2)C1 62022611 UOOACZJNWAKTTH-UHFFFAOYSA-N 357.439 0.959 0 40 FCAB CC(C)OCCN1CCC(NC(=O)CCSc2nnnn2C)CC1 75092010 LOSWFQVNSUPWJI-UHFFFAOYSA-N 356.496 0.698 0 40 FCAB CN(C)C(=O)N1CCOC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 96051327 KYUZPLNMQYBDBV-KRWDZBQOSA-N 351.378 0.942 0 40 FCAB COCCN1CCC2(CC1)[C@H](c1cnn(C)c1)CC(=O)N2CCOC 96199891 WOEDKXJXJFUMCR-INIZCTEOSA-N 350.463 0.863 0 40 FCAB Cc1cc(CNS(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)n(C)n1 252486471 HLOPYTBSRNRBJH-SNVBAGLBSA-N 350.400 0.926 0 40 FCAB COc1cccc2c(C)c(C(=O)N3CCN(C(C)=O)[C@@H](C(N)=O)C3)[nH]c12 257204583 AVHQUFANWZBDPC-CYBMUJFWSA-N 358.398 0.643 0 40 FCAB C[C@@]1(O)CCN(C(=O)CCc2cccnc2)C[C@H]1n1ccc(O)nc1=O 257248583 JEHXQLZZSQJGNJ-RDTXWAMCSA-N 358.398 0.501 0 40 FCAB CC(C)c1nccn1CCC(=O)NC[C@]1(O)CCN(c2ncccn2)C1 257281505 OPNYFXVVKGKKID-GOSISDBHSA-N 358.446 0.944 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)Cc1ccc(F)cc1 408625168 VTKHNDKQJIKXCS-UHFFFAOYSA-N 368.434 0.990 0 40 FCAB C[C@H]1CCN(C(=O)NCc2ncccc2S(C)(=O)=O)C[C@H]1C(=O)O 567609506 MPALBEJHFWDEFS-WDEREUQCSA-N 355.416 0.737 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1ccnc(F)c1)C2 585101702 ZGKZETXRXBIWBH-GOSISDBHSA-N 372.404 0.518 0 40 FCAB CCN1C(=O)C[C@H](C(=O)NCc2cc(C)nn2C)[C@H]1c1cnn(C)c1C 614579739 KKZUDNQDIHOVIE-YOEHRIQHSA-N 358.446 0.996 0 40 FCAB Cc1ccc2c(CC(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)O)coc2c1 643431053 UFGRMBSENJJCBI-CYBMUJFWSA-N 351.380 0.994 0 40 FCAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 666146564 NZAYFRKMOQWVMO-JKSUJKDBSA-N 367.471 0.749 0 40 FCAB O=C(Nc1cnccn1)[C@H]1CO[C@@H]2CN(C(=O)Cc3ccc(F)cn3)C[C@@H]21 1565551632 PVKYQHAVTIFAOV-QLFBSQMISA-N 371.372 0.665 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615160916 UPSKFPNQJRITAL-GOSISDBHSA-N 363.389 0.686 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2cscn2)CC1 2055772798 GHYSDBYCHCZMDC-UHFFFAOYSA-N 363.443 0.734 0 40 FCAB Cc1ccc(S(=O)(=O)NCCOc2nc(N)nc(N(C)C)n2)cc1 5051249 MDINLWWMDCUQHB-UHFFFAOYSA-N 352.420 0.186 0 40 FCAB O=C(c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1)N1CCCC1 12030060 SSTISADVOVVASP-AWEZNQCLSA-N 357.453 0.883 0 40 FCAB O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13259326 VUHUGFRPYJLQIX-YPMHNXCESA-N 360.366 0.886 0 40 FCAB CCN1CCN(C2=N[C@@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2)CC1 13719790 HTXSBVXBSIIKCT-HNNXBMFYSA-N 359.430 0.516 0 40 FCAB COC(=O)CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858237 QOFRGDYFUIWUOD-UHFFFAOYSA-N 360.775 0.309 0 40 FCAB C[C@@H](C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1)N1CCOCC1 19078513 UXZKSTJTCSOYCN-GJZGRUSLSA-N 359.474 0.549 0 40 FCAB COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCCC2)cc1 20465014 SKELUTLSOIPOCA-LTIDMASMSA-N 350.415 0.010 0 40 FCAB biogenic,in-vitro O=c1c2cnc(N3CCOCC3)nc2ccn1CCCN1CCOCC1 20567803 UQUOTGKDBNIIJX-UHFFFAOYSA-N 359.430 0.350 0 40 FCAB O=C(NCCNS(=O)(=O)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 22470595 YVVCZDINFGZCOZ-UHFFFAOYSA-N 372.406 0.631 0 40 FCAB COc1cccc(C[C@H](C(=O)N(C)CC(=O)NC(C)C)n2nnnc2C)c1 40120117 IONWJLNITJVCOB-MRXNPFEDSA-N 374.445 0.757 0 40 FCAB CCC[C@@H](C(=O)NCC(=O)N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 72308051 VZYRKYGAVGEZRV-AWEZNQCLSA-N 370.494 0.912 0 40 FCAB COC(=O)CSc1cncc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 79057927 WNEMINGHGUQUIR-GFCCVEGCSA-N 366.443 0.569 0 40 FCAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCC[C@]2(C)CO)c1 97166174 SHDWKIXSCYACMZ-MRXNPFEDSA-N 371.411 0.795 0 40 FCAB CCc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)cc1 222662428 XTPXKUYVNJKFIO-UHFFFAOYSA-N 359.382 0.619 0 40 FCAB Cc1noc(-c2ccn3c(CNC(=O)CN4CCOC4=O)nnc3c2)n1 238870940 MWQLDVLUKYBNNM-UHFFFAOYSA-N 357.330 0.156 0 40 FCAB CS(=O)(=O)NC[C@H]1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)OC1 247542488 SQHDGAAEPJMSCJ-LLVKDONJSA-N 369.443 0.722 0 40 FCAB O=C(CCn1nnc2ccccc21)N1CC[C@@](O)(CN2CCOCC2)C1 257283272 OXPVPTOVOFOTKW-GOSISDBHSA-N 359.430 0.117 0 40 FCAB O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(C1)CN(C1CCCC1)C2 514288552 CKORPBJHPUKDEK-QZTJIDSGSA-N 356.470 0.970 0 40 FCAB biogenic,in-vitro Cc1cnn(C)c1S(=O)(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)O 575821900 DIJQVSSGDYWQEH-LBPRGKRZSA-N 357.363 0.678 0 40 FCAB CC[C@H](C)[C@@H](C(=O)NCCn1c(CO)nc2ccccc21)n1cnnn1 604419304 OHSFZBNSYINXPU-LRDDRELGSA-N 357.418 0.919 0 40 FCAB Cn1cc(N2[C@H](C(=O)O)CC[C@H]2C(=O)N2CCOCC(F)(F)C2)cn1 630670313 JGQIKAXIGDORJE-RYUDHWBXSA-N 358.345 0.336 0 40 FCAB CN(C1CN(c2ccc3nncn3n2)C1)S(=O)(=O)CCC(F)(F)F 952993443 YTMFVZKRDXKWOR-UHFFFAOYSA-N 364.353 0.527 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)NCCOCCN1C(=O)CCC1=O 1565523567 QWHFALDIYBZSSO-UHFFFAOYSA-N 370.427 0.448 0 40 FCAB CCOc1cc(S(=O)(=O)NC2CC2)c(OCC)cc1-n1cnnn1 1325388 CONXTLGOEPTYKO-UHFFFAOYSA-N 353.404 0.900 0 40 FCAB O=C(Nc1cccnc1)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 2624902 OVMOVQBYYRUSGB-UKRRQHHQSA-N 365.386 0.983 0 40 FCAB Cc1ccc(S(N)(=O)=O)cc1NC(=O)Cn1nnc2ccccc2c1=O 9025685 PSRBHFLLMVLFIP-UHFFFAOYSA-N 373.394 0.386 0 40 FCAB CCc1nn(CC(=O)NCC[S@](C)=O)c(=O)c2cc3ccsc3n12 12114304 MNYPMKBAKZWHLW-XMMPIXPASA-N 366.468 0.768 0 40 FCAB O=C1CN(S(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)CCN1 13012102 FHLLPLNQKQCECE-UHFFFAOYSA-N 365.455 0.870 0 40 FCAB CC(C)CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 14138846 ADYSBVVQRQGCPI-MRXNPFEDSA-N 350.375 0.919 0 40 FCAB Cc1cc2nc([C@@H](NC(=O)[C@H]3CCS(=O)(=O)C3)C(C)C)cc(O)n2n1 19129460 NBDLZVKRQMVTKN-NHYWBVRUSA-N 366.443 0.991 0 40 FCAB C[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 41378978 RPHRDPJVKNUWJZ-SDDRHHMPSA-N 353.394 0.875 0 40 FCAB O=C1COC2(CCN(C(=O)c3ccnnc3)CC2)CN1Cc1ccccn1 96049219 KQMNIQSEDXNGCU-UHFFFAOYSA-N 367.409 0.905 0 40 FCAB CN1CCN(C(=O)[C@H]2C[C@@]3(CO2)CN(C(=O)N(C)C)c2ccccc23)CC1 96144558 SVQPCGFFSUARSB-XLIONFOSSA-N 372.469 0.989 0 40 FCAB CN1CC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 97212236 UAAFHJNCEYIDSP-LBPRGKRZSA-N 359.473 0.110 0 40 FCAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222737804 KJWJYVDHHTYSEZ-ZDUSSCGKSA-N 355.460 0.431 0 40 FCAB O=C(CO[C@@H]1CN(c2ncc(F)cn2)Cc2ccnn2C1)N1CCCC1 247735580 KMKNFZWQVWDVOS-OAHLLOKOSA-N 360.393 0.840 0 40 FCAB CCS(=O)(=O)CCN1Cc2cccn2C[C@H](C(=O)NCCOC)C1 253493567 UPKZEHOGWDPLLE-CQSZACIVSA-N 357.476 0.117 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2nccnc2-c2ccnn2C)CC1 257238084 HJMWYHLKVGMLOM-UHFFFAOYSA-N 350.448 0.863 0 40 FCAB Cc1c[nH]c(-c2cncc(C[C@H]3CCN(S(=O)(=O)N(C)C)C3)n2)n1 257289735 PZZFAVBPOJZOBO-GFCCVEGCSA-N 350.448 0.846 0 40 FCAB Cc1ccc(C[C@@]2(CO)CN(CC(=O)Nc3ccn(C)n3)CCO2)cc1 585278197 NBUIIMXYHLLKEB-IBGZPJMESA-N 358.442 0.973 0 40 FCAB Cn1cc(CN2CC[C@@H](N)C2)c(C(=O)NCc2ccc3c(c2)CCO3)n1 685942840 RHIPZMDXZVQZCV-MRXNPFEDSA-N 355.442 0.818 0 40 FCAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(CC(=O)N2CCCC2)C1 2055746308 MZGMVOWYBIUMQQ-USXIJHARSA-N 361.442 0.998 0 40 FCAB Cn1cccc(C(=O)N2C[C@H]3OCCN(Cc4ccncc4)[C@@H]3C2)c1=O 2055750768 WTNAQUKDIWLDFG-IAGOWNOFSA-N 354.410 0.506 0 40 FCAB NC(=O)c1ccsc1NC(=O)Cn1nnn(-c2cccs2)c1=O 10812773 PISKLJITVOOQFR-UHFFFAOYSA-N 350.385 0.290 0 40 FCAB COc1cc2c(cc1CCNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)CCC2 12363377 LJOYPSSCHUMGOK-OAHLLOKOSA-N 373.496 0.833 0 40 FCAB CN(C)c1nc(N)nc(COC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n1 12949100 VXLOJZCTUNGYCL-SNVBAGLBSA-N 360.349 0.828 0 40 FCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccc(OC)cc1 13535641 SGMFRXDIRHVRFL-HUUCEWRRSA-N 361.398 0.734 0 40 FCAB Cc1cccc(N2CCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)c1 13554280 LSHKJIHGPXYWEK-UHFFFAOYSA-N 355.398 0.739 0 40 FCAB CC(=O)NCC(=O)N1CCC(c2ccc(-c3cnc(N)nc3)cn2)CC1 19687227 DCXAUQGOJCXOFX-UHFFFAOYSA-N 354.414 0.963 0 40 FCAB Cc1cc(NC(=O)Cn2cccc(C(=O)N[C@H]3CCCN(C)C3)c2=O)no1 19750131 OUMUBGYXMBUCHN-ZDUSSCGKSA-N 373.413 0.607 0 40 FCAB CCOC(=O)c1nc(-c2nn(-c3ccc(F)cc3)c(=O)n(C)c2=O)no1 21147192 LRYYIFDNRKXGBO-UHFFFAOYSA-N 361.289 0.297 0 40 FCAB COC(=O)c1sc2nc(CN(CC(N)=O)C(C)C)[nH]c(=O)c2c1C 22405512 LITZATZOJSVRFX-UHFFFAOYSA-N 352.416 0.775 0 40 FCAB Cc1cc(CN(C)C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)no1 25137352 XKAAYVVMCIBYIZ-UHFFFAOYSA-N 374.401 0.169 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 29959332 LLOZCQWKGRMCFS-CMPLNLGQSA-N 356.831 0.996 0 40 FCAB CNS(=O)(=O)c1cccc(C(=O)NCc2nnc3n2CCCCC3)c1 40049252 MFDDCJXXPWMKKQ-UHFFFAOYSA-N 363.443 0.843 0 40 FCAB CCN(CC)CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 48374055 XHXJLUKEIJNKHJ-UHFFFAOYSA-N 359.448 0.372 0 40 FCAB Cc1ccc(CNC(=O)Cn2cnc3c(C(N)=O)nsc3c2=O)cc1 49409380 LMSMHMCUPUMCLT-UHFFFAOYSA-N 357.395 0.577 0 40 FCAB COCc1cccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 58305423 BRACJMBPZGRJTM-MRXNPFEDSA-N 361.442 0.952 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1nc(-c2cccs2)no1 58343691 HWRDIRIBZLRMGU-UHFFFAOYSA-N 361.383 0.732 0 40 FCAB CCN1CCN(S(=O)(=O)c2cncc(Br)c2O)CC1 72210922 QLCBDNKACDWJRH-UHFFFAOYSA-N 350.238 0.876 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)CC1 78050077 ZIBGVYAQPIEZND-UHFFFAOYSA-N 353.375 0.385 0 40 FCAB CN(C)CC(C)(C)CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 79094603 CSMCXKOFOWDDJT-AWEZNQCLSA-N 351.451 0.705 0 40 FCAB Cn1cc(N2CC[C@H](NC(=O)c3cccnc3OCC(F)F)C2=O)cn1 89811655 OFYVFMVPKZFULI-LBPRGKRZSA-N 365.340 0.994 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96226061 TVBKWGJHBLNNJT-CQSZACIVSA-N 353.404 0.047 0 40 FCAB O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCN(CCO)CC1 97098256 VPPVGUFKDFRCDL-UHFFFAOYSA-N 354.350 0.884 0 40 FCAB Cc1ccc([C@H](O)CNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 103158800 ZWXIVGSOIPRBGE-ONMISFSYSA-N 354.406 0.952 0 40 FCAB CN1Cc2c(C(=O)N3CCOCC3)ncn2-c2ccccc2S1(=O)=O 105134257 BUQDSHBSRKCENP-UHFFFAOYSA-N 362.411 0.479 0 40 FCAB COc1ncccc1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206906208 MIOVDKXHALPJGY-UHFFFAOYSA-N 366.385 0.423 0 40 FCAB Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1 251978475 FHLGSKTZNBUUIM-GFCCVEGCSA-N 367.431 0.309 0 40 FCAB NS(=O)(=O)CCN1CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)CC1 270539622 JMYLAQZICJEFFJ-MRXNPFEDSA-N 367.471 0.237 0 40 FCAB O=C(c1cnccn1)N1C[C@@H]2[C@H](C1)CN(Cc1ccccc1)S2(=O)=O 306123506 APAMKKZQWKEJFB-GDBMZVCRSA-N 358.423 0.763 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccc(F)cc1 408608498 NJHIVSDHSJBTND-UHFFFAOYSA-N 354.407 0.995 0 40 FCAB COc1ccnc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)n1 498895944 XSRIGQARADESQW-UHFFFAOYSA-N 357.418 0.438 0 40 FCAB O=C(c1ccc(F)c(Cl)c1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 585288237 SEMAVBKRGSKWIS-KFWWJZLASA-N 358.797 0.358 0 40 FCAB Cc1nnc2n1C[C@@H](CN(C)C)N(C(=O)Cc1cn3c(n1)CCCC3)C2 685943460 XBBFIDGBZHIMOO-OAHLLOKOSA-N 357.462 0.634 0 40 FCAB Cc1nc(CCNC(=O)[C@@H]2CN(c3ncccn3)CC23CCOCC3)no1 1614945963 PTBQAEJBXWWJDR-AWEZNQCLSA-N 372.429 0.760 0 40 FCAB COc1cccc(CN2CCO[C@@]3(COCCN(S(C)(=O)=O)C3)C2)c1 2055812380 AJHHUWKVNKMYJG-KRWDZBQOSA-N 370.471 0.558 0 40 FCAB CCN=c1nc(N2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc[nH]1 2086886969 KGRIPEUWKXCJNV-GJZGRUSLSA-N 362.478 0.088 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1 11963890 XFVMEJQRYNRLJC-UHFFFAOYSA-N 361.427 0.946 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)Oc3ccc(N4CCCC4=O)cc3)cnc21 21469288 VAZBNROWLXQPJC-UHFFFAOYSA-N 367.365 0.862 0 40 FCAB COC(=O)c1ccc(=O)n(CC(=O)NC[C@H]2COc3ccccc3O2)c1 32843087 ZZEDZFMTJXEGNB-ZDUSSCGKSA-N 358.350 0.591 0 40 FCAB Cc1ccccc1NS(=O)(=O)c1ccc(-n2c(=O)n(C)n(C)c2=O)cc1 1097291 QFONGEPMOQDNFD-UHFFFAOYSA-N 374.422 0.984 0 40 FCAB O=C(CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1)NC1CC1 12530477 UAMXFDHOVYGUGW-UHFFFAOYSA-N 353.426 0.909 0 40 FCAB NC(=O)Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccnc2)cc1 25304559 URSGHRRAQXBAGH-UHFFFAOYSA-N 362.411 0.417 0 40 FCAB COc1cc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)ccc1NC(C)=O 13040042 MVSWWSJVYJUASX-LLVKDONJSA-N 355.416 0.540 0 40 FCAB COc1ccc(OC)c2c1cc(C(=O)N[C@@H](C)C(=O)NCC(=O)O)n2C 4000429 WYIHNMXHMMSMSD-VIFPVBQESA-N 363.370 0.515 0 40 FCAB biogenic COCCN(CCOC)C(=O)COC(=O)c1ccc2c(c1)OCCO2 6566068 NXHVHJLMGUUTGH-UHFFFAOYSA-N 353.371 0.736 0 40 FCAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N[C@H]1CCS(=O)(=O)C1 6594011 OXIJWERRIBAGHU-LBPRGKRZSA-N 371.459 0.325 0 40 FCAB COc1ccc(/C=C/C(=O)NCc2cc(=O)n(C)c(=O)n2C)cc1OC 6662792 JCJNOEVHMYDWGB-SOFGYWHQSA-N 359.382 0.431 0 40 FCAB COC(=O)C1(O)CCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 95455797 FSZAWLFHRZMLNP-QWHCGFSZSA-N 355.435 0.391 0 40 FCAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)NC1CC1 32074188 UNXOGMCAVKASLM-CYBMUJFWSA-N 371.846 0.498 0 40 FCAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2cccnc2)N(C)S(=O)(=O)N1 72335140 CDUGGOMFEOMSAJ-KGLIPLIRSA-N 364.431 0.342 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 41631638 XLIKNEUOBJKKLL-UHFFFAOYSA-N 351.428 0.814 0 40 FCAB COCCCNC(=O)Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2 49547448 GOQZNKLRMNISRI-UHFFFAOYSA-N 363.349 0.325 0 40 FCAB CC(=O)N1CC2(CCN(C(=O)N3CCCC3)CC2)[C@@]2(CCN(C)C2=O)C1 96036413 WVHIOTNJGQBQSJ-IBGZPJMESA-N 362.474 0.995 0 40 FCAB COCCN1C(=O)C[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(OC)cc1 96245832 HSATVODGAKUDOP-LSDHHAIUSA-N 354.428 0.706 0 40 FCAB CC(=O)[C@]1(O)CC=C2C[C@@H]3[C@@H]4C=C[C@@](O)(C(C)=O)[C@@H]5OC1=C2[C@]45CCN3C 95932122 SFFRCZUXEZQRMF-GOLUYEDUSA-N 371.433 0.890 0 40 FCAB Cc1ccccc1CNC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCCN(C)C)C1 96253153 QEIODRNMIQFHME-FGTMMUONSA-N 374.485 0.972 0 40 FCAB CCOC(=O)[C@]12CCCN(S(C)(=O)=O)C[C@H]1CN(c1ncccn1)C2 96056069 PJPWVBIRAOENPI-CJNGLKHVSA-N 368.459 0.518 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)c2cccn2C)C[C@@]2(CC(=O)N(C)C2)C1 96062574 ZRNLQPNZCJTKQA-LJQANCHMSA-N 360.458 0.814 0 40 FCAB CCc1nccn1CCC(=O)NC[C@]1(O)CCCN(c2cnccn2)C1 257206631 BEHBMMUNDZHMQN-GOSISDBHSA-N 358.446 0.773 0 40 FCAB CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)Cn1cnnn1)C2 72154708 LAQBTKVCOADSGC-UHFFFAOYSA-N 365.401 0.176 0 40 FCAB Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@](O)(CC(=O)N(C)C)C1 644315321 QXNZXFWNCSWYHI-SFHVURJKSA-N 365.478 0.594 0 40 FCAB CCCS(=O)(=O)N1Cc2ccnn2[C@@H](CNC(=O)c2cscn2)C1 585095332 NLNVIKGODIDBCU-LBPRGKRZSA-N 369.472 0.866 0 40 FCAB CCOC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H](C)C(N)=O)CC2)c1 75107115 KGVJIPRNUBCVRK-LBPRGKRZSA-N 369.443 0.043 0 40 FCAB CSCC[C@@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)O 5159071 UDEQFBPNLSBGPL-CHWSQXEVSA-N 370.427 0.596 0 40 FCAB O=C(OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1)c1ccc(O)cc1 5456068 HARJOTRNTZLMNQ-ZDUSSCGKSA-N 353.396 0.727 0 40 FCAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1 5006616 CDGMFUNFOHSRDF-MDWZMJQESA-N 362.338 0.694 0 40 FCAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19291933 VIHSWTNCBLPESA-OLZOCXBDSA-N 365.455 0.330 0 40 FCAB Cc1cc(C)n(C)c(=O)c1C(=O)NCc1cc(=O)[nH]c(N2CCCC2)n1 19572275 PHCDDVLDHGSVFU-UHFFFAOYSA-N 357.414 0.616 0 40 FCAB NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O 2634444 DKNVCRCWOLHANY-VIFPVBQESA-N 354.306 0.702 0 40 FCAB in-vitro O=C(c1cnn[nH]1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 1888853734 ZUPPOWLBCWXGRS-RKDXNWHRSA-N 353.308 0.822 0 40 FCAB COCCN1C(=O)CN(C2CCN(c3cc(C)nc4ccnn34)CC2)C1=O 1888864072 HDPSGYBWIIPMDI-UHFFFAOYSA-N 372.429 0.917 0 40 FCAB CC(C)N(C)CC(=O)N1CCOC[C@@]2(C[C@@H](Cn3cnnc3)CO2)C1 1565545083 ACGAAQSAUGDAAX-DOTOQJQBSA-N 351.451 0.252 0 40 FCAB COCCNC(=O)CSc1nnc(CNC(=O)c2ccccc2)o1 4354135 MLTGEDFMFUSIFM-UHFFFAOYSA-N 350.400 0.854 0 40 FCAB Cc1cccc(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 4583603 ZMZJUGNIRJIYGT-UHFFFAOYSA-N 361.423 0.940 0 40 FCAB O=C(NCc1ccco1)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713455 RTANJUIOBCMHAY-CYBMUJFWSA-N 358.398 0.827 0 40 FCAB COc1ccc(N2C[C@H](NC(=O)NCCN3CCOCC3)CC2=O)cc1 22664483 WECXGTJVAAFVDG-CQSZACIVSA-N 362.430 0.432 0 40 FCAB Cc1cc(OC2CN(S(=O)(=O)c3c(C)nn(C)c3C)C2)cc(=O)o1 585325938 YBKIBXDRNYAKIB-UHFFFAOYSA-N 353.400 0.750 0 40 FCAB CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 3479777 TVCLQCBDYXUXNJ-UWVGGRQHSA-N 361.354 0.449 0 40 FCAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O 3600365 UQJWOXWSSKKQBP-MRXNPFEDSA-N 351.790 0.966 0 40 FCAB Cn1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c2ccccc2c1=O 7758202 KKFZXEPPQKRPBZ-UHFFFAOYSA-N 369.381 0.833 0 40 FCAB Cn1c(=O)c2c(ncn2CCC(=O)N[C@H]2CCc3ccccc32)n(C)c1=O 14373932 OMEVUWUQGDXXLM-AWEZNQCLSA-N 367.409 0.628 0 40 FCAB CC/C(NCCN1CCNCC1)=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 20289458 DOSXRMKJTREFII-NXVVXOECSA-N 371.441 0.428 0 40 FCAB CCCOc1ccc(N2C(=O)C[C@H](NCCN3CCN(C)CC3)C2=O)cc1 22938861 BPYDJPUNMZTYLQ-SFHVURJKSA-N 374.485 0.944 0 40 FCAB NS(=O)(=O)N1CCC(C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 24985360 CZBPTTKTDINKMV-UHFFFAOYSA-N 368.415 0.497 0 40 FCAB O=c1c2ncn(COCCO)c2nc2n1CN(CCCc1ccco1)CN2 32101940 QXXOABCDUHZEPJ-UHFFFAOYSA-N 374.401 0.428 0 40 FCAB CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2S(C)(=O)=O)CC1 32907590 FTHXHOCONAOEHU-UHFFFAOYSA-N 374.484 0.634 0 40 FCAB Cc1cc(NC(=O)CN2CCC[C@H](CO)C2)n([C@H]2CCS(=O)(=O)C2)n1 40020137 ZMVQQSWVFKNMIJ-KBPBESRZSA-N 370.475 0.194 0 40 FCAB COC(=O)CCN(CC(C)C)C(=O)CCn1cnc2c(cnn2C)c1=O 40156814 DJPHIIIDAWKUKW-UHFFFAOYSA-N 363.418 0.568 0 40 FCAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)N1CCC(O)CC1 40158284 UYYWVAZSPWYYQX-CYBMUJFWSA-N 368.478 0.449 0 40 FCAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NC[C@@H]1CCS(=O)(=O)C1 44718067 VBRYSIJBPFDREQ-IHWZXDPASA-N 368.499 0.870 0 40 FCAB COCCn1c(N)c(C(=O)CN(C)c2cc(C)ccc2C)c(=O)[nH]c1=O 54273675 JTIIPHJOZDGEHG-UHFFFAOYSA-N 360.414 0.701 0 40 FCAB CCCNC(=O)c1nsc(C(=O)N2CCN(C(=O)OCC)CC2)c1N 67334943 WVVQFZNNNIVRCP-UHFFFAOYSA-N 369.447 0.779 0 40 FCAB O=C(Cn1nc2c(cc1=O)CSCC2)N[C@H](Cc1ccccc1)C(=O)O 71328838 ZEUIMDPEWCJBIP-OAHLLOKOSA-N 373.434 0.845 0 40 FCAB Cc1ccc(OCC(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1C 72256206 WCMRNXAPMPARNC-UHFFFAOYSA-N 354.472 0.871 0 40 FCAB CCCc1nnsc1C(=O)NCCn1nc(-n2cncn2)ccc1=O 96103363 JDXHCUMDRFINAY-UHFFFAOYSA-N 360.403 0.058 0 40 FCAB CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NC4CC4)cn23)CC1 96267397 TVKOKLMGFYVZPV-UHFFFAOYSA-N 362.455 0.913 0 40 FCAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(C(=O)c2ccco2)CC1 101496633 ANLXLBZHGQQPOT-OKILXGFUSA-N 371.393 0.515 0 40 FCAB CS(=O)(=O)N[C@H]1CCOC2(CCN(C(=O)c3ccccn3)CC2)C1 108529605 KPBOXTWNQOWZND-ZDUSSCGKSA-N 353.444 0.785 0 40 FCAB Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)nn1 225429987 YBZSEJFCEUCCGW-GDBMZVCRSA-N 374.441 0.792 0 40 FCAB CSCC[C@@H](NC(C)=O)C(=O)NCc1nc(-c2ccnc(O)c2)no1 238822373 CYIOQEBFYIYEND-LLVKDONJSA-N 365.415 0.711 0 40 FCAB Cc1cc(O)nc([C@@H]2CN(S(=O)(=O)c3cn(C)nc3C)CCO2)n1 257290666 QDVPWNJUCORYIR-NSHDSACASA-N 353.404 0.295 0 40 FCAB Cn1ccc(C(=O)N2CC[C@@]3(CCn4ncnc4[C@@H]3NC(=O)C3CC3)C2)n1 306144330 ZCTWHPBIGQIGRO-KBXCAEBGSA-N 369.429 0.515 0 40 FCAB CCCCN1CCC[C@@]2(CC(C(=O)N[C@H]3CCS(=O)(=O)C3)=NO2)C1 585101201 NBIKRANWWZCPTI-XJKSGUPXSA-N 357.476 0.701 0 40 FCAB C[C@@H]1OCCN(C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)[C@@H]1C(F)(F)F 622985116 LSZQPIOEIPZRPW-ARJJNVETSA-N 372.343 0.972 0 40 FCAB CSc1cccc(NC(=O)C(=O)NC[C@@]2(OCCO)CCOC2)c1 658415814 ZCXWSIPSXSXIAU-INIZCTEOSA-N 354.428 0.631 0 40 FCAB Cn1cc(N2C[C@@]3(CCN(C(=O)CCc4cncnc4)C3)CC2=O)cn1 1565543288 ZLILAHBBXHYRGR-SFHVURJKSA-N 354.414 0.798 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615160918 UPSKFPNQJRITAL-SFHVURJKSA-N 363.389 0.686 0 40 FCAB c1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(N2CCCC2)n1 1889148714 CMCBCPZRPDBHEW-UHFFFAOYSA-N 351.418 0.841 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2cccc(C)n2)CC1 2055782096 KIOAHNMIYZBQMB-UHFFFAOYSA-N 371.441 0.981 0 40 FCAB CCN1CCN(CC(=O)NCCc2ccc(OC)c(OC)c2)C(=O)C1=O 4326395 FFAYHJBGSXQCTF-UHFFFAOYSA-N 363.414 0.053 0 40 FCAB COCCNC(=O)CSc1nc2c(cnn2-c2ccccn2)c(=O)[nH]1 6657441 AZMPQDNLIBAUKC-UHFFFAOYSA-N 360.399 0.359 0 40 FCAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1 7070670 NXQGLKNFOCSBKU-CQSZACIVSA-N 369.487 0.916 0 40 FCAB Cn1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 14196881 BGSMGMSSAOJBLK-UHFFFAOYSA-N 353.404 0.032 0 40 FCAB CC(C)(C)N1C[C@@H](C(=O)NCCCN2CCC(C(N)=O)CC2)CC1=O 19659819 ZWSBURNDNCVPLH-AWEZNQCLSA-N 352.479 0.337 0 40 FCAB COc1cc([C@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3C)cc(OC)c1OC 20761557 HFUXZLPBUQCYBM-LLVKDONJSA-N 362.342 0.324 0 40 FCAB biogenic Cc1ccccc1CN1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 27388779 DPVBSYQZHYSPFQ-UHFFFAOYSA-N 356.426 0.580 0 40 FCAB COc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1NS(C)(=O)=O 30026571 MJPRFXVFCVKINU-SECBINFHSA-N 356.404 0.419 0 40 FCAB Cn1cnn(CN2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c1=S 32770234 YCCGSBWJLJGQIB-UHFFFAOYSA-N 371.470 0.734 0 40 FCAB CS(=O)(=O)NC1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 48234521 HWCVWIXKZJFPDA-AWEZNQCLSA-N 352.412 0.308 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)s1 58305736 KLSIEQQTQUFNGP-LBPRGKRZSA-N 373.500 0.873 0 40 FCAB Cc1cc(NC(=O)CN2CCC[C@@H](CS(N)(=O)=O)C2)n(C(C)(C)C)n1 95397239 SKUBKGYKVCRIKN-CYBMUJFWSA-N 371.507 0.886 0 40 FCAB O=C(N[C@@H]1CCSC1=O)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96123991 MVUDFLSAKKHRAT-VXGBXAGGSA-N 373.442 0.422 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)c2ccc(F)c(F)c2)Cc2cncn21 247541367 SKADKLHNOSRUEB-LBPRGKRZSA-N 370.381 0.908 0 40 FCAB Cc1c(CCC(=O)N(C)C[C@]2(O)CCN(c3ncccn3)C2)cnn1C 257219179 DFWVAXKARUIWHI-GOSISDBHSA-N 358.446 0.551 0 40 FCAB Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)CN4CCOCC4)C[C@@H]32)nn1 257225583 FGWCXSZGKRAKMF-IXDOHACOSA-N 359.474 0.790 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cnc(-c3nccn3C)cn2)C1 257254509 KDKHMZOGESOIFO-CYBMUJFWSA-N 364.475 0.938 0 40 FCAB O=C(NC[C@]1(O)COCCN(Cc2cccc(O)c2)C1)c1ccccn1 257298819 RNKBHHVKRYPGGQ-LJQANCHMSA-N 357.410 0.781 0 40 FCAB COc1cccc(C(=O)N2CC[C@@](C)(O)[C@H](n3ccc(O)nc3=O)C2)c1 257311771 UKXNTPXLJJNDRF-RDTXWAMCSA-N 359.382 0.796 0 40 FCAB Cn1cc(CN2Cc3ccnn3[C@H](C(=O)NCCc3ccncc3)C2)cn1 306128869 HNBZQMMNRDJDIC-SFHVURJKSA-N 365.441 0.927 0 40 FCAB Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3ccc[nH]3)CC2)cn1C 331697319 VURUTTMPJFSUMN-UHFFFAOYSA-N 365.459 0.774 0 40 FCAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)O)c(OC)c2)C1=O 408549193 QNYOXEXDRSKPNX-BJMVGYQFSA-N 364.310 0.224 0 40 FCAB COC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408626224 VCXDLJLMXBHGGE-CYBMUJFWSA-N 356.444 0.781 0 40 FCAB CN(c1ccc(C(=O)NCCCN2CCOCC2)cc1)S(C)(=O)=O 408630295 RFJQPPOPWNSMPT-UHFFFAOYSA-N 355.460 0.535 0 40 FCAB O=C(c1ccc(-n2ccnc2)nn1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 531005705 QIYWJMVQFARLLT-ZIAGYGMSSA-N 361.427 0.844 0 40 FCAB Cn1cnc(C(=O)N2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)n1 585100955 KZEHGXBOXLENSE-SFHVURJKSA-N 354.414 0.865 0 40 FCAB Cc1nc2cc(NC(=O)N3CCOC[C@H]3CNS(C)(=O)=O)ccc2o1 585123576 FLLROUVTAOXZGV-GFCCVEGCSA-N 368.415 0.918 0 40 FCAB COCCCN(C(=O)c1ccc(C(=O)O)nc1)[C@@H]1CCS(=O)(=O)C1 640387337 PWGAQJJQCIIRIJ-GFCCVEGCSA-N 356.400 0.446 0 40 FCAB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cn(Cc3cccnc3)nn2)C1 643753267 BVGHXVGERHIFHI-SFHVURJKSA-N 358.446 0.527 0 40 FCAB O=C(O)[C@H]1Cn2cnnc2CN1C(=O)Cc1ccccc1OC(F)F 643855495 BPRYCMNFBIQQDG-SNVBAGLBSA-N 352.297 0.918 0 40 FCAB Cc1c(NC(=O)CN2CCCC[C@@H](O)C2=O)cnn1C1CCOCC1 644491203 ZVBGLVHZDMPCNU-OAHLLOKOSA-N 350.419 0.855 0 40 FCAB CC[C@@H]1CN(C(=O)CC(C)(C)C)[C@H](CO)[C@@H]1CN1CCS(=O)(=O)CC1 1772594849 ARROHZGFUMABHO-BZUAXINKSA-N 374.547 0.999 0 40 FCAB O=C1CO[C@@H](CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)CN1 2086968231 MMADRSVGYDHFKA-OAHLLOKOSA-N 374.416 0.763 0 40 FCAB C[C@@]1(O)C[C@](O)(C(=O)c2cc(O)cc(O)c2)c2c(O)cc(O)cc2C1=O 2332243375 NKEWORGBFVYRNX-QZTJIDSGSA-N 360.318 0.917 0 40 FCAB COCCn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)cn23)n(C)c1=O 4314223 HBVSKRXKBNAFIQ-GFCCVEGCSA-N 361.402 0.283 0 40 FCAB CCn1cc(Cn2cc(NC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)cn2)cn1 6637106 ZRMDTSPHWAHCDG-BARDWOONSA-N 359.386 0.965 0 40 FCAB CCOC(=O)C1=C(Cn2cc(CO)nn2)NC(=O)N[C@H]1c1ccccc1 6667134 HBFIVFSZGPHECE-HNNXBMFYSA-N 357.370 0.642 0 40 FCAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 8127832 KKISUQTVKALHIJ-UHFFFAOYSA-N 374.426 0.960 0 40 FCAB CCN(C(=O)C1=COCCO1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9366733 JLEDPTGHTIVKEI-UHFFFAOYSA-N 372.381 0.408 0 40 FCAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc(N)nc(N)n2)cc1OC 9501539 UKQICMNRYWHTEP-MRVPVSSYSA-N 364.431 0.850 0 40 FCAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(N)=O)CC1 10335650 OABBMIITQNWABA-UHFFFAOYSA-N 354.432 0.242 0 40 FCAB CCc1[nH]c(C(=O)OCc2nc(N)nc(N(C)C)n2)c(C)c1C(=O)OC 10974106 RVDFXDVICJQUHU-UHFFFAOYSA-N 362.390 0.862 0 40 FCAB CCOc1ccc(NCC(=O)N2CCNC2=O)cc1S(=O)(=O)N(C)C 12527250 HHMHRLOSIFSMQW-UHFFFAOYSA-N 370.431 0.299 0 40 FCAB CN(C)C(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1 14201466 QUXCCARXWGXONZ-UHFFFAOYSA-N 355.236 0.690 0 40 FCAB CC(C)(C)N1C[C@H](C(=O)NCCCN2CCC(C(N)=O)CC2)CC1=O 19659821 ZWSBURNDNCVPLH-CQSZACIVSA-N 352.479 0.337 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)N2CCCC2)cc1 22228546 MNKMOUJVOXQUMV-UHFFFAOYSA-N 367.471 0.654 0 40 FCAB C[C@@H]1Oc2ccccc2N(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)C1=O 22553076 HVAQOISMPIAHHQ-MEDUHNTESA-N 352.412 0.494 0 40 FCAB Cc1ccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 26456054 PQQUJMQGZFFILG-UHFFFAOYSA-N 355.460 0.209 0 40 FCAB CC[C@@H](C)NC(=O)CCNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 58195160 RSHOGDLRWWRFOT-DOMZBBRYSA-N 359.430 0.528 0 40 FCAB C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)N1CCOCC1 58266351 WEZPKCYLBRHVOW-CYBMUJFWSA-N 361.398 0.166 0 40 FCAB C[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 95430122 OOQMQLBFWIVKHH-YNEHKIRRSA-N 356.444 0.595 0 40 FCAB CCN1CC[C@]2(CN(C(C)=O)CC23CCN(S(C)(=O)=O)CC3)C1=O 96262676 HVRRESVTIXYLEI-INIZCTEOSA-N 357.476 0.129 0 40 FCAB Cn1c(S)nc2cc(C(=O)NCC(=O)NCc3ccco3)ccc2c1=O 102408699 PTWASMYBHGZQDA-UHFFFAOYSA-N 372.406 0.861 0 40 FCAB O=S(=O)(NCc1nccc(N2CCOCC2)n1)c1ccccc1F 224174695 UGMQPLJLAGCOKT-UHFFFAOYSA-N 352.391 0.931 0 40 FCAB C[C@H](O)[C@@](O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@@H](C)O 248265574 DNDACVRMGDHDQY-YQYWCBKUSA-N 369.370 0.026 0 40 FCAB biogenic,in-vitro CCS(=O)(=O)CCN1Cc2ccnn2[C@H](CC(=O)N2CCCC2)C1 253491097 LEJUXJGTFBACGG-OAHLLOKOSA-N 354.476 0.687 0 40 FCAB O=C(O)CCCC(=O)NC[C@]1(O)CCN(c2ccnc3cccnc23)C1 257309674 UBXFJASSDZFMMR-GOSISDBHSA-N 358.398 0.942 0 40 FCAB Cc1c(CN2CC[C@@](C)(O)[C@H](n3cnc4c(N)ncnc43)C2)cnn1C 257336242 YNQRHPJYRANWOQ-CXAGYDPISA-N 356.434 0.648 0 40 FCAB COc1cc(N2C[C@H]3OC[C@@H](CNS(=O)(=O)C4CC4)[C@H]3C2)ncn1 306127023 FLUIIGMGQDUIBY-RAIGVLPGSA-N 354.432 0.018 0 40 FCAB Cn1cccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1=O 519165025 CGLGMUPVWXQAGX-UHFFFAOYSA-N 361.423 0.872 0 40 FCAB O=C(c1cccc(-n2cnnn2)c1)N1CC[C@H](Oc2ncc(F)cn2)C1 575413835 AWMZDWFPQVSXDV-AWEZNQCLSA-N 355.333 0.885 0 40 FCAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)C1 629896545 REUWTDIKTGUZGR-LXTVHRRPSA-N 371.503 0.469 0 40 FCAB CCN1C[C@]23CN(C(=O)c4csc(C)n4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565545462 GGNNKNBIYOBIQZ-SCDSUCTJSA-N 357.457 0.469 0 40 FCAB CS(=O)(=O)N1CCOC[C@]2(CN(C(=O)CC3=CCCCC3)CCO2)C1 2055812526 OMSVMVBGSWAHJW-KRWDZBQOSA-N 372.487 0.766 0 40 FCAB COC(=O)COc1ccc(Oc2nc(SC)nc(N(C)C)n2)nn1 2366111 LNMARXJFVQHIGK-UHFFFAOYSA-N 352.376 0.794 0 40 FCAB C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2ccccc2c1 2560933 OFVQHTSXPBDPOX-LRDDRELGSA-N 370.457 0.874 0 40 FCAB Cc1ccc(C(=O)NCCc2nnc3ccc(SCC(N)=O)nn23)cc1 4358478 DIXKZFIQMJYOTQ-UHFFFAOYSA-N 370.438 0.983 0 40 FCAB C[C@@]1(NC(=S)SCC2=CCS(=O)(=O)C2)CCS(=O)(=O)C1 5359631 QULTXTXLIUCNOX-LLVKDONJSA-N 355.528 0.526 0 40 FCAB COc1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(C)C3=O)NN2C(C)=O)cc1 9170877 CAXWZWUMRXNBQQ-NXXVSJRMSA-N 358.354 0.455 0 40 FCAB Cn1ncc2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)ncnc21 12485250 JRLSXVZTYFUMTL-UHFFFAOYSA-N 358.427 0.874 0 40 FCAB Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(N)=O 15019735 PLROSBMGYRLFBE-UHFFFAOYSA-N 355.445 0.359 0 40 FCAB CCOc1cc(/C=c2\sc3nc(=O)c(C)nn3c2=O)ccc1OC(C)=O 17307177 AZYHWRCIZLAYCK-ZSOIEALJSA-N 373.390 0.691 0 40 FCAB CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@@H]2O)cc1F 19615653 GAGWJHPBXLXJQN-HFHAKLMTSA-N 359.354 0.760 0 40 FCAB biogenic,in-vitro COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)Nc1cc(C(C)(C)C)no1 24806752 XMDLJKYOLLKYSZ-SNVBAGLBSA-N 352.391 0.274 0 40 FCAB CC(C)CN1CCO[C@H](CNC(=O)c2cc3c([nH]c2=O)CCCC3=O)C1 32269410 DEFOXJYISROFBK-CYBMUJFWSA-N 361.442 0.981 0 40 FCAB COC(=O)CN(C(=O)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 32641244 MDRRTQLPBPKNQP-ZDUSSCGKSA-N 355.412 0.426 0 40 FCAB O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 32907722 BSJKAZCTCULSPO-UHFFFAOYSA-N 368.459 0.254 0 40 FCAB O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCNC(=O)C1CC1 41598020 YRGZJNXAOANURN-UHFFFAOYSA-N 373.862 0.651 0 40 FCAB CN(C)S(=O)(=O)c1ccc(CCc2nc(C(=O)O)cc(=O)[nH]2)cc1 49470251 RWIAKGCYYQYCTC-UHFFFAOYSA-N 351.384 0.504 0 40 FCAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c1C 58218953 NVKZZJHOVNQDMP-LBPRGKRZSA-N 351.403 0.785 0 40 FCAB CS(=O)(=O)CC(=O)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1 96206522 CAUZIMBUXRQYCE-CZUORRHYSA-N 353.444 0.688 0 40 FCAB CC(C)CN1CCS(=O)(=O)[C@@H]2CCN(S(=O)(=O)C3CC3)CC[C@@H]21 96251576 OVAYEAGNGAECCQ-LSDHHAIUSA-N 364.533 0.698 0 40 FCAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCO 217507842 OHDVHMOQTICBKE-UHFFFAOYSA-N 360.432 0.884 0 40 FCAB C[C@H](O)c1ccc(CCNC(=O)N2CCN(S(C)(=O)=O)C2=O)s1 225688201 IIIJUGAVYAVKHG-VIFPVBQESA-N 361.445 0.751 0 40 FCAB CCCn1cc(Cl)c(C(=O)N2CC[C@](O)(CN3CCOCC3)C2)n1 257211334 BYMYNWLKMDDZKY-INIZCTEOSA-N 356.854 0.856 0 40 FCAB CC(=O)N[C@@]12CN(C(C)=O)CC[C@@H]1[C@@H](c1ccccc1)N(C(=O)CO)C2 257228213 FSVMXNVXLUFZLM-BHIYHBOVSA-N 359.426 0.306 0 40 FCAB Cc1nn(C)cc1CCC(=O)NC[C@@]1(O)CCCN(c2ncccn2)C1 257279945 OIVQDMQCRHOKRV-SFHVURJKSA-N 358.446 0.599 0 40 FCAB Cc1n[nH]c(C)c1CC(=O)N1CCN(Cc2ccccc2)[C@@H](C(N)=O)C1 257285846 PJDJZNDKXREDCF-QGZVFWFLSA-N 355.442 0.767 0 40 FCAB Cc1cc(C)n2nc(C(=O)N3CC[C@](O)(CN4CCOCC4)C3)cc2n1 257310113 UDSVKNUIXMJECP-SFHVURJKSA-N 359.430 0.255 0 40 FCAB Cc1cn([C@H]2CCN(C(=O)c3cscn3)C[C@]2(C)O)c(O)nc1=O 257332511 XXPMAMPEKSTJDO-NHYWBVRUSA-N 350.400 0.552 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Nc2cnn(C)c2)CC1 298454418 QTXCTZYSGRVDPN-UHFFFAOYSA-N 368.419 0.563 0 40 FCAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](COC(C)=O)(O3)[C@@H]2C1=O 409304214 KPMITKPEJOUTFF-CUYVQJCZSA-N 371.345 0.849 0 40 FCAB COCc1nnc2n1CCN(S(=O)(=O)c1c(C)nn(C)c1C)[C@H]2C 585098503 YWJPNFYQBSTNEW-NSHDSACASA-N 354.436 0.540 0 40 FCAB CN1C[C@]2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O 585104377 LGQWLYSXWDRPPO-QGZVFWFLSA-N 352.456 0.771 0 40 FCAB C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@]12CC[C@@H](C(=O)NCC1CC1)O2 1565550927 JXQACDXJNCRBTR-IAISJRAMSA-N 361.446 0.741 0 40 FCAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(Cc2cnn(C)c2)CC1 1772595210 CGBVYYADCQTCLQ-GOSISDBHSA-N 372.517 0.580 0 40 FCAB Cc1cc(N2CCN(Cc3nc(C)no3)CC2)nc(N2CCOCC2)n1 2087128275 OPPSTPFZRIRBGV-UHFFFAOYSA-N 359.434 0.635 0 40 FCAB CCOC(=O)[C@@]1(n2[nH]c(=O)n(-c3ccccc3)c2=O)CC(C)(C)OC1=O 2026043 YZTJNTGXEYSZIY-KRWDZBQOSA-N 361.354 0.311 0 40 FCAB O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)NC[C@@H]1CCCO1 5056643 YHMMNRUBNXUARV-ZDUSSCGKSA-N 372.360 0.412 0 40 FCAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)C3=COCCO3)o2)c1 5240563 WJXPBXNHRGRBLX-UHFFFAOYSA-N 351.340 0.967 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1NC(C)=O 7667651 UNNKVZZGIHRZSG-JTQLQIEISA-N 362.429 0.119 0 40 FCAB O=C(Cn1nnn(-c2ccccc2)c1=O)NCc1ccc2c(c1)OCO2 8940766 DZPMEJSDNACKGZ-UHFFFAOYSA-N 353.338 0.474 0 40 FCAB CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 9628228 RZPNWAZMEKGYTM-UHFFFAOYSA-N 354.428 0.685 0 40 FCAB Cn1cc(S(=O)(=O)Oc2cccc3c2OC(C)(C)C3)c(=O)n(C)c1=O 15325708 GFXYSQIQDGEFHJ-UHFFFAOYSA-N 366.395 0.565 0 40 FCAB Cc1ccccc1N(CC(=O)NCCCN1CCOCC1)S(C)(=O)=O 20567937 XOBZXTGBCOEXKZ-UHFFFAOYSA-N 369.487 0.600 0 40 FCAB COc1cccc(NC(=O)[C@@H](C)OC(=O)CCCN2C(=O)CNC2=O)c1 24754579 UMDMEGDBMJSQRO-LLVKDONJSA-N 363.370 0.897 0 40 FCAB CCCn1c(=O)n(C)c(=O)c2c(SCC(N)=O)nc(C(C)C)nc21 36803159 KQOLJNMYQHUQGD-UHFFFAOYSA-N 351.432 0.601 0 40 FCAB COCCNC(=O)C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43941881 GLOZVGIATJFIQS-UHFFFAOYSA-N 363.414 0.776 0 40 FCAB O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N[C@@H]1CCS(=O)(=O)C1 49382904 VYMXVFZKXJZUDL-SNVBAGLBSA-N 373.381 0.510 0 40 FCAB COc1ccc(I)cc1S(=O)(=O)NC[C@@H](C)O 95946403 ZCAJGIYFVHCCDC-SSDOTTSWSA-N 371.196 0.959 0 40 FCAB CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccs3)C2)C1=O 225380652 JFKWKDWHLKMEJK-HIFRSBDPSA-N 363.483 0.907 0 40 FCAB biogenic,in-vitro CNC(=O)[C@@H]1COC2(CN(C(=O)Cc3ccc(F)cc3OC)C2)CN1C 253612984 IMYPBPZRNBEGGF-AWEZNQCLSA-N 365.405 0.034 0 40 FCAB Cc1nc(C)c(CC(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)s1 257280118 OJMZRKPDTZNJKY-GJZGRUSLSA-N 353.488 0.987 0 40 FCAB Cn1cccc1C(=O)NCC[C@H]1CCOC12CN(C(=O)c1cnccn1)C2 306128390 GZDYNAKKGFNQQX-AWEZNQCLSA-N 369.425 0.866 0 40 FCAB C[C@@H](C(=O)NCCN1CCOCC1)N(c1ccccc1)S(C)(=O)=O 408627892 RAUFBAGLNDRQPT-AWEZNQCLSA-N 355.460 0.290 0 40 FCAB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2nnc(C)s2)no1 408690280 URSFWWQBBMGYHQ-UHFFFAOYSA-N 367.387 1.434 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCO)C1 408713517 FLWMBTTXYGNIFS-NSHDSACASA-N 360.407 0.344 0 40 FCAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCNc1ncccn1 524735004 YMSFGUTVXQQYHF-AWEZNQCLSA-N 368.397 0.536 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)N[C@]1(CO)COc2ccccc2C1 529822323 ZNNFRURSMLZEMM-LJQANCHMSA-N 366.377 0.274 0 40 FCAB CCN1CCO[C@H](CNS(=O)(=O)c2cnn(Cc3ccccc3)c2)C1 604770558 YLCKIIKUOMVXST-MRXNPFEDSA-N 364.471 0.930 0 40 FCAB O=C(O)[C@@H]1CC[C@@H](C(=O)N2CCOCC3(CCOCC3)C2)N1C1CC1 630671100 YETFTUSIWLZOCL-GJZGRUSLSA-N 352.431 0.722 0 40 FCAB CC1(C)NC(=O)N(CCCN2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1=O 671531729 XJQTWYXPUIKPFW-ZNMIVQPWSA-N 353.463 0.959 0 40 FCAB O=C1C[C@@H](Cc2ccc(C(=O)N3CCC(c4nn[nH]n4)CC3)cc2)C(=O)N1 1174940354 DRYHPFOJLMSIJO-CQSZACIVSA-N 368.397 0.425 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@H]2c3nc(N4CCCC4)ncc3C[C@H]2C1 1565556068 WBDFWPGWLJATAF-UONOGXRCSA-N 364.471 0.610 0 40 FCAB O=S(=O)(N1CCOCC1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888881860 SGKDHZIMMGCOFT-ZDUSSCGKSA-N 368.459 0.632 0 40 FCAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NC[C@@H]1CCCO1 4139862 NEDWIKFMEFVLJK-ZDUSSCGKSA-N 354.370 0.272 0 40 FCAB O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)NC[C@H]1CCCO1 4251487 UHDCABPMAIEBJU-GFCCVEGCSA-N 359.382 0.694 0 40 FCAB C[C@H](CO)NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 6420505 AEJMUYKDTAMAQT-SNVBAGLBSA-N 359.411 0.698 0 40 FCAB Cn1c(=O)c2ccccc2n2c(COC(=O)CNC(=O)C(C)(C)C)nnc12 9118480 UTUMXFVCIHOSRJ-UHFFFAOYSA-N 371.397 0.787 0 40 FCAB CCOc1ccnc2c1c(=O)n(CC(=O)NC1CCCCC1)c(=O)n2C 9571892 CNUFZZOGSKRFHG-UHFFFAOYSA-N 360.414 0.943 0 40 FCAB CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)CC1 12903922 NKIFQOXRAOHLOF-UHFFFAOYSA-N 367.471 0.663 0 40 FCAB Cc1ccc(Cl)cc1N(CC(=O)N1CCN(C=O)CC1)S(C)(=O)=O 13671323 SQPFHBQWLXNBRS-UHFFFAOYSA-N 373.862 0.715 0 40 FCAB CC(C)[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccs1 14019926 CUYIGDXMTBKNFO-GFCCVEGCSA-N 357.457 0.821 0 40 FCAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCCO 16187795 SSCODRHDFRHKOS-UHFFFAOYSA-N 350.824 0.468 0 40 FCAB CC[C@H](C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22229521 WGBQYNRUDSAZKS-ZDUSSCGKSA-N 369.487 0.947 0 40 FCAB COc1ccccc1-n1ccn(CC(=O)NCc2ccco2)c(=O)c1=O 22723745 BHANKIUSRMTBHT-UHFFFAOYSA-N 355.350 0.917 0 40 FCAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(OCC(N)=O)c3c2)C1 24983562 GBMVCOHKONCAJU-GHMZBOCLSA-N 367.431 0.012 0 40 FCAB CN(C)CCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 30758788 WGTUBPZPZDWPTH-UHFFFAOYSA-N 369.487 0.530 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1 41625292 UBIGSVANDSJJDP-HNNXBMFYSA-N 365.499 0.833 0 40 FCAB C[C@H](NC(=O)NCCNS(C)(=O)=O)c1ccc(NC(=O)C2CC2)cc1 45652296 HCLUUXQVIGIZKO-NSHDSACASA-N 368.459 0.945 0 40 FCAB O=C(c1ccc(F)cc1Cl)N1CCN(CC(=O)N2CCNC2=O)CC1 52110698 GFUBMHYVVHIECH-UHFFFAOYSA-N 368.796 0.789 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1cccnc1)C2 96050368 JNQHDFFBNGQPSJ-GOSISDBHSA-N 354.414 0.378 0 40 FCAB Cn1cc(S(=O)(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cn1 96103600 JYFQWOIVARETMP-UHFFFAOYSA-N 364.427 0.622 0 40 FCAB CCN1CCn2c(nn(CC(=O)Nc3cc(F)ccc3F)c2=O)C1=O 98213037 PTPTZZOYEFWYQG-UHFFFAOYSA-N 351.313 0.437 0 40 FCAB Cc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)cc1C 222661075 VNGNIHAJHMBJSH-UHFFFAOYSA-N 359.382 0.673 0 40 FCAB O=C(O)COCC(=O)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225484932 HJKOSIAHXGURIS-LBPRGKRZSA-N 352.318 0.984 0 40 FCAB biogenic,in-vitro Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3ncccn3)CC2)n1 242912165 GTWLPWFVZDRXEQ-UHFFFAOYSA-N 354.462 0.653 0 40 FCAB Cc1noc(C)c1C(=O)N(C)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257326722 WYINUOYLAVZPQC-XJKCOSOUSA-N 350.419 0.077 0 40 FCAB COC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1 575617437 APKAMVFNNDTVMF-CQSZACIVSA-N 366.381 0.920 0 40 FCAB Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F 614475760 SZTGXGKTQQXKGM-QWRGUYRKSA-N 369.365 0.715 0 40 FCAB CN1CCO[C@H](CS(=O)(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)C1 632256014 JHZVLVYXUZFUAC-FRRDWIJNSA-N 374.425 0.720 0 40 FCAB Cn1cnnc1CCNC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 644349757 DESXMFDYOLPABO-LJQANCHMSA-N 357.458 0.891 0 40 FCAB Cc1cc(C2CCN(C(=O)C[C@H]3CS(=O)(=O)CCN3C)CC2)n[nH]1 644407616 FWQQZTLREGPXNG-AWEZNQCLSA-N 354.476 0.543 0 40 FCAB NCCn1cc(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)nn1 662822560 KNPLMTAQIOMMGX-NSHDSACASA-N 370.335 0.944 0 40 FCAB COCCN1CCCC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1=O 1565544763 QMNKYDDBLDDOBW-UHFFFAOYSA-N 361.442 0.726 0 40 FCAB O=C(C1CC(O)C1)N1CC[C@]2(CCN2S(=O)(=O)c2cccs2)C1 1614933491 JIRQSOJIYXAQEW-QOZQQMKHSA-N 356.469 0.885 0 40 FCAB Cc1c(NS(=O)(=O)N2CCOCC2)c(=O)n(-c2ccccc2)n1C 1430443 VHFFRUHLNZUXOU-UHFFFAOYSA-N 352.416 0.473 0 40 FCAB NS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 1445769 LVPJUJFTQIRVBH-UHFFFAOYSA-N 354.409 0.495 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)/C=C/c2ccccc2F)c(=O)n(C)c1=O 3363665 UGMSIFJITLGJAJ-BQYQJAHWSA-N 361.329 0.245 0 40 FCAB COc1ccc2c(C)c(CC(=O)NCCOCCO)c(=O)oc2c1OC 13629713 LEJWJIRJNKQABC-UHFFFAOYSA-N 365.382 0.786 0 40 FCAB O=C(COc1ccccc1F)N1CCN(c2ccc3nncn3n2)CC1 13700225 YLPITIBWFRWDPB-UHFFFAOYSA-N 356.361 0.991 0 40 FCAB CC(C)CNC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1 14085869 DEQUQYFMEOQKGV-UHFFFAOYSA-N 357.451 0.904 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc(C)c1C 14094623 PPRBXGZRIXKVQJ-GFCCVEGCSA-N 360.457 0.128 0 40 FCAB CCN(CC)C(=S)SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 16584650 LVZSPWMMZMAETR-UHFFFAOYSA-N 356.473 0.996 0 40 FCAB CN1C[C@@H](C(=O)N2C[C@@H](c3ccccn3)[C@@]3(CCCCC(=O)N3)C2)CC1=O 19587363 BXAKBEBLOMMKAH-AUSJPIAWSA-N 370.453 0.915 0 40 FCAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCOCC1 20412427 YOEOUUIWJBIAAY-KRWDZBQOSA-N 357.410 0.926 0 40 FCAB biogenic CC(=O)N1CCN(C(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)CC1 23234110 CFZQVICVRKZVIT-UHFFFAOYSA-N 358.373 0.735 0 40 FCAB O=C(Cn1nc(-c2cccs2)ccc1=O)N[C@@H]1CCS(=O)(=O)C1 44920430 XXDWWBJGJPGEOV-SNVBAGLBSA-N 353.425 0.275 0 40 FCAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1nnc2n1CCC2 78954998 CUSHEDARVCUESI-GFCCVEGCSA-N 355.464 0.087 0 40 FCAB C[C@@H](NC(=O)CCC(=O)N1CCN([C@H](C)C(N)=O)CC1)c1ccccc1 89905527 WODDMQPGKVBMMI-HUUCEWRRSA-N 360.458 0.662 0 40 FCAB CCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)s1 95939408 UASZEWIKFNTJQZ-ZCFIWIBFSA-N 358.235 0.713 0 40 FCAB O=C(c1cnccn1)N1CCc2nnc(COc3ccccn3)n2CC1 96058884 UHVUXMHZQABNMU-UHFFFAOYSA-N 351.370 0.741 0 40 FCAB CCOC(=O)N1CCN(C(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)CC1 206255797 BHUPKMVWRZZLRB-CQSZACIVSA-N 374.397 0.428 0 40 FCAB CCS(=O)(=O)N(CC(=O)NCCCOC)c1ccc2c(c1)OCCO2 408705763 MYLOENQQNLBCRP-UHFFFAOYSA-N 372.443 0.767 0 40 FCAB COCCN1C(=O)C[C@H](CNC(=O)C(C)(C)CO)[C@H]1c1cnn(C)c1 616777399 AXASBZHOUYHDSA-DOMZBBRYSA-N 352.435 0.091 0 40 FCAB O=S(=O)(c1cccnc1)N1CCCc2cnc(N3CCOCC3)nc21 675008394 VUUODDWUPJMOAN-UHFFFAOYSA-N 361.427 0.850 0 40 FCAB Cc1ccc(C)c(OC[C@@H](O)CNC[C@@H](O)CN2CCCC2=O)c1C 1118242440 ZHBWAARCZQBCAP-SJORKVTESA-N 350.459 0.924 0 40 FCAB COCCN1[C@@H]2CN(C3CCC(F)(F)CC3)C[C@@H]2OCCS1(=O)=O 1534645775 BSTKOMXARGXJDV-KGLIPLIRSA-N 368.446 0.926 0 40 FCAB O=C(NC1CCCC1)c1n[nH]c2c1C[C@@H](CNC(=O)[C@@H]1CCOC1)OC2 1565545118 AGGFGZXIWLQURX-YPMHNXCESA-N 362.430 0.676 0 40 FCAB O=C(CCc1cncnc1)N1CC[C@H]2C[C@@H](C(=O)N3CCCCO3)O[C@@H]2C1 1565549288 UCRHROWDXGVUIL-YESZJQIVSA-N 374.441 0.969 0 40 FCAB COc1cc(C(=O)N2CCOC[C@@]3(CN(CC4CC4)C(=O)CO3)C2)on1 1614930956 CURFITCLRXQYBC-KRWDZBQOSA-N 365.386 0.163 0 40 FCAB Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCOCC3)CC[C@@H]2O)cc1 1615188450 CMLLOIPMCOLBDA-HKUYNNGSSA-N 351.443 0.713 0 40 FCAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NC(C)(C)C 3380681 PCXLNGLGJBYTKS-SNVBAGLBSA-N 367.427 0.572 0 40 FCAB CN(C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 4392113 IILOHQYDTDEEKN-NSHDSACASA-N 350.396 0.318 0 40 FCAB Cc1ccccc1NC(=O)CSc1nnc(CCC(=O)O)c(=O)n1N 5256961 FVOLXJSTZJTKAO-UHFFFAOYSA-N 363.399 0.409 0 40 FCAB COc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1 5392846 DHSVZMSVSTXYCS-XZBIERFOSA-N 373.369 0.190 0 40 FCAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3cccnc3)[C@@H]4C2=O)no1 6673115 IOZYEGGIGLQOAY-PSFFPDNBSA-N 366.377 0.981 0 40 FCAB CCOC(=O)c1cnc(S[C@H](C)C(=O)NC(=O)NC2CC2)nc1N 9322243 DUIYBJZHOLXFDY-SSDOTTSWSA-N 353.404 0.704 0 40 FCAB COc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1NC(C)=O 13041138 OAKULNPBTLZUKD-UHFFFAOYSA-N 355.416 0.540 0 40 FCAB COC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c1 14140069 HSDNQTPBGYQWGK-UHFFFAOYSA-N 360.366 0.969 0 40 FCAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCCN1CCOCC1 19576248 RFXFUTXPPIAIDT-QMTMVMCOSA-N 357.410 0.522 0 40 FCAB CC[C@H](C)NC(=O)CN1CCN(Cn2nnc3ccccc3c2=O)CC1 22934079 BMQQRZYYXTVBKZ-AWEZNQCLSA-N 358.446 0.281 0 40 FCAB CNC(=O)c1ccc(CN(C)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1 24096959 DFWKHCRDBUAUMP-UHFFFAOYSA-N 360.414 0.882 0 40 FCAB Cc1cccc(N2CCN([C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 24828965 CYDBSVSWRXCFOI-JKSUJKDBSA-N 365.499 0.809 0 40 FCAB COCCN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C 29631696 VODOPOZMJOMUBJ-NSHDSACASA-N 363.436 0.080 0 40 FCAB CC[C@@H]1CCCCN1C(=O)COC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 32871450 LHEIRNMGWJZENU-GFCCVEGCSA-N 351.403 0.639 0 40 FCAB CN1CCN(C(=O)C[C@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 36594834 GBIFZEQQODIYBB-CYBMUJFWSA-N 374.397 0.204 0 40 FCAB O=C(NCC(=O)N1CCc2ccccc21)N1CCN(c2ncccn2)CC1 72078813 YQKXNZBNVIFNJV-UHFFFAOYSA-N 366.425 0.898 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95476808 MNVDTNIHXCKMST-GHMZBOCLSA-N 362.411 0.219 0 40 FCAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(S(=O)(=O)C2CC2)C1 96057753 ZKNLTOQNUNBDNW-NILFDRSVSA-N 351.428 0.992 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CCCc2nnc3ccccn23)CC1 96118051 XKXOQDYLLCHAOX-UHFFFAOYSA-N 351.432 0.156 0 40 FCAB Cc1nc(N2CCN(c3ccc4nncn4n3)CC2)c2cnn(C)c2n1 170999757 MHVXYWCCIRGFDP-UHFFFAOYSA-N 350.390 0.436 0 40 FCAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCOCC1 217533544 SEEZHNKBAOOKCL-LLVKDONJSA-N 358.416 0.535 0 40 FCAB O=C(NCCN1CCCC1=O)c1ccc(N2CCCCS2(=O)=O)cc1 224387241 IJCSPOUDZGWQFV-UHFFFAOYSA-N 365.455 0.969 0 40 FCAB CCN1CCN(C(=O)N2CCN(c3cc(C4CC4)nn3C)CC2)C(=O)C1=O 225570774 UTMBBDRIFQDFLL-UHFFFAOYSA-N 374.445 0.230 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cncc(-c3ccnn3C)n2)CC1 257276234 NSXPVRAOUFKJFW-UHFFFAOYSA-N 364.475 0.938 0 40 FCAB N[C@H](CCC(=O)N1C[C@H](O)[C@H](Cc2ccnc3cccnc23)C1)C(=O)O 257308749 TXYCYBLDIGFJPV-NFAWXSAZSA-N 358.398 0.184 0 40 FCAB Cn1cc(CN2CCN(C(=O)Nc3cccnc3-n3cncn3)CC2)cn1 518723979 XPXGTHBOJCFLKX-UHFFFAOYSA-N 367.417 0.746 0 40 FCAB Cc1nc(CN2CCN(C(=O)[C@@H]3COCCN3C3CCCC3)CC2)n[nH]1 526004207 CZEDMJLWJNBOPX-INIZCTEOSA-N 362.478 0.401 0 40 FCAB O=C(NCCn1cccn1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 551613305 UNJHDTZIMFXGIU-UHFFFAOYSA-N 373.388 0.123 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](Cn2ccnn2)C(C)C)cc1C(N)=O 575617589 XQNMJKPWHUHEMF-CYBMUJFWSA-N 367.431 0.389 0 40 FCAB O=c1ccc(-n2cncn2)nn1CC1CCN([C@@H]2CCCC[C@@H]2O)CC1 585501003 VRWQBPWAZWEYMP-CVEARBPZSA-N 358.446 0.840 0 40 FCAB CC(=O)N1CCC(NC(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)CC1 1119525344 WIMPPJSZFWUSKJ-UHFFFAOYSA-N 358.402 0.313 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CC2)CN(Cc2cccnc2)CCO3)n1 1565547800 XRIUHXPHPPJCFP-UHFFFAOYSA-N 356.430 0.717 0 40 FCAB Cc1nc(N2CCOCC2)cc(N2CCN(CC(=O)N3CCCC3)CC2)n1 1889116982 QQCOPUCDCBDXSW-UHFFFAOYSA-N 374.489 0.366 0 40 FCAB CC(C)C[C@H](N)C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 12220131 LYVFJYVDRCCZPK-NJSLBKSFSA-N 358.442 0.959 0 40 FCAB Cn1nc2c(CN[C@H]3CCS(=O)(=O)C3)cc(-c3ccccc3)cn2c1=O 12233826 YCQOHCHYOFMPCZ-INIZCTEOSA-N 372.450 0.977 0 40 FCAB Cc1cc(C)cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 12987011 JFXYZZGZLPGLFU-UHFFFAOYSA-N 367.471 0.638 0 40 FCAB CCCn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n[nH]c1=O 13525724 LXZRLBCATVAJQV-UHFFFAOYSA-N 371.444 0.360 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@@H](C)O)cc1 14113937 PUNTWIZGFFIQQM-RISCZKNCSA-N 372.443 0.369 0 40 FCAB CCCCN(C(=O)CN1CCCC1)c1c(N)n(CCC)c(=O)[nH]c1=O 14138048 UJEGQDLLILQVCD-UHFFFAOYSA-N 351.451 0.758 0 40 FCAB CC(C)[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NC(N)=O 15279136 VHEDCPBIIOMTLG-NSHDSACASA-N 357.388 0.434 0 40 FCAB Cn1cc(S(=O)(=O)N[C@@H]2CCSc3ccccc32)c(=O)n(C)c1=O 15329316 CAMZJYJELMSORL-LLVKDONJSA-N 367.452 0.599 0 40 FCAB Cc1cc(C(=O)NCCCN2CCOCC2)ccc1NS(C)(=O)=O 22913476 JMFHVRHAMAYVFO-UHFFFAOYSA-N 355.460 0.819 0 40 FCAB CC(C)NC(=O)NC(=O)CN1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 29676943 HGGOHIZYZAXCOP-HNNXBMFYSA-N 367.494 0.239 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 38488780 VVRAZKYZWQHEOG-UHFFFAOYSA-N 352.456 0.839 0 40 FCAB COc1ccc(CC[C@]2(C)NC(=O)N(CCS(C)(=O)=O)C2=O)cc1 40154829 JVSWLRBQJOLRQG-INIZCTEOSA-N 354.428 0.983 0 40 FCAB O=C(CNC(=O)Cc1ccccc1)NCc1ccc(-c2nnn[nH]2)cc1 68962819 CPQIDEXVRDPZDV-UHFFFAOYSA-N 350.382 0.842 0 40 FCAB COC(=O)c1cccc2c1CCCN2CC(=O)N[C@H]1CCS(=O)(=O)C1 83897439 ZMJXJVOIWPFATG-LBPRGKRZSA-N 366.439 0.529 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2ccccn2)C[C@@]2(CNC(=O)C2)C1 96036014 MVNHYSYDQLZCAD-GOSISDBHSA-N 359.430 0.464 0 40 FCAB COCCN1CC2(CCN(Cc3cnn(C)c3)CC2)[C@H](COC)C1=O 96206438 XITGPASFPAWRBX-MRXNPFEDSA-N 350.463 0.754 0 40 FCAB Fc1cnc(N2CC[C@]3(COCc4cnc(N5CCOCC5)nc43)C2)nc1 96244154 XOJMHLFZJLBERC-GOSISDBHSA-N 372.404 0.921 0 40 FCAB O=C(CO[C@@H]1CCOC2(C1)CN(c1ccc3nncn3n1)C2)N1CCCC1 247740226 NMLALGGZEQYFNP-CQSZACIVSA-N 372.429 0.501 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CCN1 257315496 VBRGSPPLHOLPCK-NSHDSACASA-N 366.805 0.184 0 40 FCAB CCc1nnc(NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)s1 408081991 VCFLNBLYIDDILN-UHFFFAOYSA-N 353.448 1.203 0 40 FCAB O=C(CCn1cnc2ccccc2c1=O)NCC(=O)Nc1cccnc1 506371002 NJQWTKIQEHPXPB-UHFFFAOYSA-N 351.366 0.937 0 40 FCAB CN(C)C(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)c3ccnc(F)c3)C[C@H]12 585108134 WVRWWQKOAKUENM-YNEHKIRRSA-N 369.418 0.184 0 40 FCAB CC[C@@H](C)[C@H](C(=O)NCCn1cnc2ccccc2c1=O)n1cnnn1 1565519488 BMJVGAFUFYWKTM-IUODEOHRSA-N 355.402 0.787 0 40 FCAB CN1CCN(C(=O)[C@H]2C[C@H]3CN(C(=O)C4CC(F)(F)C4)C[C@H]2O3)CC1 1565548417 BVQMNOPTHGEJTN-MELADBBJSA-N 357.401 0.422 0 40 FCAB O=C1CC(c2cccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)c2)CC(=O)N1 1593384629 QVGRSLDOMWALDT-UHFFFAOYSA-N 365.353 0.967 0 40 FCAB CN1N=C(c2ccc(Cl)cc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 4284953 WVHPOXZLRBJTJQ-UHFFFAOYSA-N 358.789 0.941 0 40 FCAB biogenic CCn1nc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c2ccccc2c1=O 4326041 LWXONPAIANQPEX-CYBMUJFWSA-N 360.370 0.793 0 40 FCAB O=C(NCc1nnc(SCC(=O)N2CCOCC2)o1)c1ccccc1 4354148 JOJHSOVOHWFFAK-UHFFFAOYSA-N 362.411 0.951 0 40 FCAB Cn1c(=O)c2nc(SCCN3CCCCCC3)n(C)c2n(C)c1=O 5146410 LSQKVGOWYMEWDC-UHFFFAOYSA-N 351.476 0.939 0 40 FCAB O=C(CNC(=O)c1ccco1)NCC(=O)N1CCN(c2ccccc2)CC1 7913042 NSBBKCDAUXOBDL-UHFFFAOYSA-N 370.409 0.474 0 40 FCAB Cc1cc(=O)n2c(n1)NC(N1CCN(CCO)CC1)=N[C@H]2c1ccccc1 9289453 FXDWGPATBRLDRA-QGZVFWFLSA-N 368.441 0.490 0 40 FCAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O 9494770 DQGBWXCFOWMLAT-IBGZPJMESA-N 370.409 0.831 0 40 FCAB O=C(CS[C@H]1CCc2ccccc2NC1=O)N[C@H]1CCS(=O)(=O)C1 12407212 UHQXLYBICSODPZ-JSGCOSHPSA-N 368.480 0.976 0 40 FCAB NC(=O)c1c(NC(=O)CSc2nc(N)cc(=O)[nH]2)sc2c1CCC2 12486783 MOTUDFWWRQOMDO-UHFFFAOYSA-N 365.440 0.732 0 40 FCAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 21795034 VCZXFSHCFRAWBG-MRVPVSSYSA-N 353.805 0.504 0 40 FCAB Cc1nc2c(cnn2-c2ccccc2)c(=O)n1C[C@H](O)CN1CCOCC1 32809006 XWQKTJWHFDXEBV-MRXNPFEDSA-N 369.425 0.584 0 40 FCAB CCNC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)C1 58148263 QAOWBTROVPIHHJ-AWEZNQCLSA-N 367.471 0.682 0 40 FCAB C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 76094080 NPMUYWWYXYZSMP-LSDHHAIUSA-N 373.519 0.212 0 40 FCAB C[C@H](C(=O)NCCc1nnc2ccccn12)n1nnc2ccccc2c1=O 95478788 MZDKAOKOEFRDKY-GFCCVEGCSA-N 363.381 0.754 0 40 FCAB CCN(c1ccc(Cc2ncc(C(=O)O)c(=O)[nH]2)cc1)S(C)(=O)=O 226106237 BLTQRRKIBGCKJV-UHFFFAOYSA-N 351.384 0.845 0 40 FCAB COCCNC(=O)[C@H]1COC2(CN(Cc3cccc4[nH]ccc34)C2)CN1C 247720769 AMQGSBSXIFHBAX-GOSISDBHSA-N 372.469 0.816 0 40 FCAB COc1ccccc1CNC(=O)C1CN(c2cc(-n3cncn3)ncn2)C1 575609867 RBZBMBOSMBSFOB-UHFFFAOYSA-N 365.397 0.819 0 40 FCAB Cn1cccc1-c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C 583612148 GJMASCWYAJRVAY-UHFFFAOYSA-N 358.446 0.896 0 40 FCAB CCS(=O)(=O)N1CCC(NC(=O)NCc2ccc(CN)cc2F)CC1 652124063 MJQDEDONRKYBBF-UHFFFAOYSA-N 372.466 0.898 0 40 FCAB CC(C)N(C)CC(=O)N1Cc2nnn(C)c2[C@@H](COCCN(C)C)C1 1565551984 YITKPBGYHDGXBW-CQSZACIVSA-N 352.483 0.159 0 40 FCAB CN(C(=S)SCC1=CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 5042651 LLZLTLNDJSZBGN-JTQLQIEISA-N 355.528 0.478 0 40 FCAB CCC(=O)Nc1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 6033781 URYPMISVYPQISY-UHFFFAOYSA-N 369.381 0.665 0 40 FCAB Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)cc([C@@H]2CCCN2)n1 19698003 HSEUTFUILXERIT-HNNXBMFYSA-N 353.492 0.743 0 40 FCAB Cc1cnc2c(C(=O)N3CCO[C@@](C)(C(=O)N4CCOCC4)C3)cnn2c1 19746932 QKJSQWKLAIDVCM-GOSISDBHSA-N 373.413 0.128 0 40 FCAB Cc1ccccc1C(=O)c1c(Cn2ccc(=N)cc2)n(C)c(=O)n(C)c1=O 36356981 GUUSNARSWNOZEU-UHFFFAOYSA-N 364.405 0.953 0 40 FCAB O=C(CN1CCN(C(=O)CNc2ccccn2)CC1)Nc1ccccn1 36646468 QWOSMSRLYJMSAA-UHFFFAOYSA-N 354.414 0.671 0 40 FCAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C[C@H](O)Cn3cccn3)CC2)C1 51591263 NPFJKWQWWVMBEJ-KURKYZTESA-N 363.506 0.366 0 40 FCAB Cc1nccn1-c1cncc([C@@H]2CCCN2C(=O)CN2CCOCC2)n1 72378541 WNXCENQAYPJDKT-INIZCTEOSA-N 356.430 0.966 0 40 FCAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCc2cncnc2C1 95396189 MGFLVNDCYMINFE-NSHDSACASA-N 371.422 0.489 0 40 FCAB O=C(NCC(F)(F)F)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124173 JQBMMDSBTJZZOQ-UHFFFAOYSA-N 355.324 0.952 0 40 FCAB Cc1nnc(C[C@@H]2C[C@H]3CN(S(=O)(=O)c4cccnc4)C[C@H]3O2)o1 96216476 UKALFFPQAKOWKK-SGMGOOAPSA-N 350.400 0.794 0 40 FCAB CCN1CCn2c(nn(Cc3nc(-c4cccc(C)c4)no3)c2=O)C1=O 98212999 FNQPVKOOQBIXHI-UHFFFAOYSA-N 354.370 0.927 0 40 FCAB COc1ccccc1N1C(=O)C[C@@H](SC[C@H](NC(C)=O)C(=O)O)C1=O 101273621 TTWJCUDIYITGDK-GXFFZTMASA-N 366.395 0.650 0 40 FCAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cccc(-n2cnnn2)c1 102874088 FYLNDCCULVDCCD-OKILXGFUSA-N 354.370 0.776 0 40 FCAB Cc1ccc([C@H](O)CNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 103158806 ZWXIVGSOIPRBGE-HITLURFISA-N 354.406 0.952 0 40 FCAB CNC(=O)c1cccc([C@@H]2CNCCN2CC(=O)Nc2cnn(C)c2C)c1 257213273 CGVVFPRZVBQSEQ-KRWDZBQOSA-N 370.457 0.673 0 40 FCAB O=C(N1CCN(c2ncncc2Cl)CC1)N1CCS(=O)(=O)CC1 585082794 JFEBRUDINLOOLA-UHFFFAOYSA-N 359.839 0.102 0 40 FCAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21)c1ccncc1 585094079 GHAJIJUHYMDTHN-BZUAXINKSA-N 353.382 0.389 0 40 FCAB CC1(C)NC(=O)N(CCCN2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)C1=O 671531727 XJQTWYXPUIKPFW-RRFJBIMHSA-N 353.463 0.959 0 40 FCAB COc1cnc(C(=O)N2CC[C@@H]3C[C@@]32C(=O)NCc2cccnc2)cn1 2056224071 QIIYROUTPMTTOJ-ACJLOTCBSA-N 353.382 0.801 0 40 FCAB C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H](C)O1 3214217 VBPIYEUEEDFPAO-ZIAGYGMSSA-N 368.455 0.957 0 40 FCAB CCCn1c(N)c(N(C)C)c(=O)n(CC(=O)N(C)c2ccccc2)c1=O 3427394 WEUGWZGFFPOHMX-UHFFFAOYSA-N 359.430 0.731 0 40 FCAB CCN1N=C(c2ccc(F)cc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148205 MZAUNHNGOXDSML-UHFFFAOYSA-N 356.361 0.817 0 40 FCAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 5315260 RSTYEUNNKJSSFW-AWEZNQCLSA-N 367.427 0.460 0 40 FCAB C[C@@]1(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)CCS(=O)(=O)C1 7784143 TUZALUZPRVSZHO-JAECXMTMSA-N 371.455 0.618 0 40 FCAB O=C(Nc1ccc(F)cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 8853085 OLXFKMHOOBGHIO-GFCCVEGCSA-N 353.375 0.930 0 40 FCAB Cc1c(C(=O)NCCC(=O)N2CCOCC2)nnn1-c1ccccc1F 19557799 VGILJTRHMLHKKJ-UHFFFAOYSA-N 361.377 0.694 0 40 FCAB O=C(C[C@H](NCCN1CCNCC1)C(=O)O)Nc1cccc(Cl)c1 22031092 LYWYXFKTKDBJTP-AWEZNQCLSA-N 354.838 0.617 0 40 FCAB CCn1c(C)cc(O)c([C@H](c2ccccn2)N2CCN(CCO)CC2)c1=O 22697412 AQJKMNZVQQBOJS-IBGZPJMESA-N 372.469 0.977 0 40 FCAB COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 30874047 JYSFRLRZBPAJNP-HNNXBMFYSA-N 369.487 0.872 0 40 FCAB COCCNC(=O)CSc1nnc(COc2ccccc2F)n1N 40159154 UACDIWJSJAFLDV-UHFFFAOYSA-N 355.395 0.565 0 40 FCAB COC(=O)c1cc(NC(=O)CN2CCC(CO)CC2)cc(C(=O)OC)c1 58224420 ONYYASXBHIOLOO-UHFFFAOYSA-N 364.398 0.903 0 40 FCAB CNC(=O)NC(=O)CCN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 58244449 FULTXPIBVDJYBS-MRXNPFEDSA-N 362.342 0.028 0 40 FCAB O=C(C[C@H]1COCCN1C(=O)Cc1cccc(O)c1)NCc1ccncn1 72473218 HHAYDLZHRXMSQS-INIZCTEOSA-N 370.409 0.659 0 40 FCAB CCOc1ncccc1C(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 84802884 IQPBAKQAZRWVEJ-UHFFFAOYSA-N 356.400 0.331 0 40 FCAB CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)O1 95460240 SQFYWQNYIXKCNM-IPYPFGDCSA-N 363.414 0.380 0 40 FCAB O=C(CCc1nnc2ccccn2c1=O)NCCc1nnc2ccccn12 96232356 USWHDYDKYXVTIZ-UHFFFAOYSA-N 363.381 0.424 0 40 FCAB CCS(=O)(=O)N1CC[C@]2(CN(c3cccc(F)c3)C(=O)CN2C)C1 96238020 LLKVFEKGOJSVTF-MRXNPFEDSA-N 355.435 0.898 0 40 FCAB Cc1cc(=O)n2c(n1)N(S(=O)(=O)c1ccccc1S(C)(=O)=O)CC2 97109229 DWBOZSIODBOSNZ-UHFFFAOYSA-N 369.424 0.164 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 238965370 YXDAARHZZJAYEY-CQSZACIVSA-N 370.475 0.296 0 40 FCAB CS(=O)(=O)CC(=O)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F 247546234 UNTTXQPPDUDCGT-LBPRGKRZSA-N 372.418 0.652 0 40 FCAB CN(C)C(=O)[C@]1(C)CN(C(=O)c2cccc(-c3cncnc3)n2)CCO1 257216398 CUKDGBGZTHBDLA-SFHVURJKSA-N 355.398 0.858 0 40 FCAB CN(C)c1cncc([C@H]2CCCN2C(=O)C2CN(S(C)(=O)=O)C2)n1 257262250 LKSMIJIDIFWZRO-CYBMUJFWSA-N 353.448 0.098 0 40 FCAB Cc1cc(C)n(CC(=O)N2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 257294748 QVNTUPLMCFIWID-LBPRGKRZSA-N 351.432 0.643 0 40 FCAB CS(=O)(=O)N1C[C@]2(CCN(S(=O)(=O)C3CC3)C2)c2ncccc21 306140279 UOSMHEOJHAJNHS-CQSZACIVSA-N 357.457 0.297 0 40 FCAB CC(=O)N1CCC[C@H](C(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)C1 562326990 OZJQSGYIDFDVCT-JKSUJKDBSA-N 350.463 0.849 0 40 FCAB O=C(CO[C@@H]1CSC2(C1)CN(C(=O)c1cc[nH]n1)C2)N1CCCC1 575404455 MRIVEFBZMJCXAS-LBPRGKRZSA-N 350.444 0.749 0 40 FCAB Cc1snnc1C(=O)N1CCc2ncc(CN3CCOCC3)n2CC1 585110594 BVHUAVCKICLFLE-UHFFFAOYSA-N 362.459 0.574 0 40 FCAB Cc1ccn(CCC(=O)N2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)n1 585182042 WTBBDLVUIQESSS-GFCCVEGCSA-N 351.432 0.724 0 40 FCAB Cn1cc(Br)c(CNC(=O)CN2CCCC[C@H](O)C2=O)n1 644493859 CYKDKNMJXDKMSR-NSHDSACASA-N 359.224 0.172 0 40 FCAB CCN1CC[C@H](NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1=O 670191173 BOMLNSCXDACODX-HNNXBMFYSA-N 362.405 0.914 0 40 FCAB COC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(OC)c(OC)c(OC)c1 1609283 FVBARFSEWRDTNW-NXEZZACHSA-N 368.386 0.508 0 40 FCAB Cn1c(=O)c2c(ncn2CCSc2nnnc3ccccc23)n(C)c1=O 1725999 VADOHHQMFXQDGN-UHFFFAOYSA-N 369.410 0.564 0 40 FCAB Cc1ccnc2nc(C(=O)OCC(=O)NC(=O)NCc3ccccc3)nn12 3385188 CQWLXQSWLYYILP-UHFFFAOYSA-N 368.353 0.616 0 40 FCAB O=C(CNC(=O)OCc1ccccc1)NCC(=O)N1CCC[C@H]1C(=O)O 5062925 XUTXYIPELQWGLP-ZDUSSCGKSA-N 363.370 0.105 0 40 FCAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CCNC1=O 5255605 IREUHTDZTWJQNV-UHFFFAOYSA-N 351.164 0.654 0 40 FCAB CCNC(=O)CNS(=O)(=O)c1ccc(OC)c(Br)c1 8193448 VVVVPTQSJMHYLN-UHFFFAOYSA-N 351.222 0.872 0 40 FCAB Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCOc4ccccc43)cnc21 12815866 OTUYQWYBEDDFDH-ZDUSSCGKSA-N 352.350 0.875 0 40 FCAB COc1ccc(C)cc1N(CC(=O)NCCCN(C)C)S(C)(=O)=O 13669258 CRMVVVMCNCLXFA-UHFFFAOYSA-N 357.476 0.838 0 40 FCAB Cc1ncc(C(=O)NC2CC2)c([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 19767146 DWGWFBPQMJDKMF-ZDUSSCGKSA-N 353.448 0.621 0 40 FCAB Cc1ccc2c(c1)[C@H](NC(=O)C(=O)NCCCN(C)C)C(=O)N2C(C)C 20623971 IHBRMIXNLRCGMB-INIZCTEOSA-N 360.458 0.975 0 40 FCAB CN(Cc1ccco1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 32976336 UMNDMQCPHPSDQW-NSHDSACASA-N 353.400 0.404 0 40 FCAB O=C(CN1CCN(c2ncccn2)CC1)NC(=O)NCc1ccccc1 36390402 HZVFHCRPVUUIRS-UHFFFAOYSA-N 354.414 0.625 0 40 FCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc2c(c1)OCO2 39985860 ZGGWZSMHPRQNMR-ZDUSSCGKSA-N 354.428 0.541 0 40 FCAB O=C(Cn1ccccc1=O)NCCN1CCN(c2ccc(F)cc2)CC1 41328778 AXJSZNSSHBWOPS-UHFFFAOYSA-N 358.417 0.926 0 40 FCAB Cc1ccccc1OCCN(C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 45568075 FWRZUHCMCINIHE-HNNXBMFYSA-N 354.472 0.951 0 40 FCAB COC(=O)CNC(=O)c1cccc(NC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)c1 53354954 AZJMQISYALVXPI-SMDDNHRTSA-N 361.398 0.690 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2ccn(C)c(=O)c2)c1 78742658 XJDBXMRQLKXFTA-UHFFFAOYSA-N 351.428 0.626 0 40 FCAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCc1nnc2ccccn12 79485614 PEPNFZXHYCEPKV-UHFFFAOYSA-N 352.398 0.871 0 40 FCAB CC(C)Cn1ccnc1CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 95461767 FIGBXAWUUNAJIB-UHFFFAOYSA-N 372.472 0.665 0 40 FCAB CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(S(C)(=O)=O)CC2 96086794 PLYBHKANLIFLHD-UHFFFAOYSA-N 354.476 0.646 0 40 FCAB COc1ccc(-c2nn([C@@H](C)C(=O)NCCCO)c(=O)cc2OC)cc1 96101039 AMBRTUJIVYOZKW-LBPRGKRZSA-N 361.398 0.987 0 40 FCAB Cc1ncn(CC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)c(=O)c1C 96122123 JHKICYXZWKUEMS-UHFFFAOYSA-N 365.411 0.279 0 40 FCAB O=c1[nH]cc(S(=O)(=O)NCCSc2ccc(Cl)cc2)c(=O)[nH]1 96870206 NCQOFRTUCTVJTG-UHFFFAOYSA-N 361.832 0.787 0 40 FCAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCc1ncc(C(=O)O)c(=O)[nH]1 226105183 SUVVQESXUYIKPX-UHFFFAOYSA-N 367.383 0.606 0 40 FCAB COCCN1CCOC[C@@]2(CC[C@@H](CNC(=O)c3ccnnc3)O2)C1 247825505 FRXVCEOXQZVENY-DOTOQJQBSA-N 350.419 0.103 0 40 FCAB Cn1nc(C(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)ccc1=O 390830928 OKWFLHZFRPPRRL-CYBMUJFWSA-N 367.452 0.844 0 40 FCAB O=C(Cn1ncccc1=O)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 575607869 PZRQDTGXULBVOT-SECBINFHSA-N 356.308 0.276 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NC(C)C)cc1 4569340 XPXRLJTXGWNUPB-CQSZACIVSA-N 367.471 0.789 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 5443112 AKOBZUGGULHISJ-YPMHNXCESA-N 363.757 0.979 0 40 FCAB Cc1ccc2nc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)[nH]c2c1 6017043 JKCVVOBIGINWLA-UHFFFAOYSA-N 359.411 0.826 0 40 FCAB CCS(=O)(=O)N1CCc2nc3cc(OC)c(OC)cc3c(=O)n2CC1 19520477 XJCNEYDOTUQBDZ-UHFFFAOYSA-N 367.427 0.622 0 40 FCAB CCOC(=O)c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)n[nH]1 21096576 ZBGGLEMIGSLZKA-UHFFFAOYSA-N 353.356 0.794 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 32916596 QGPJFUJANQJLOF-LBPRGKRZSA-N 362.473 0.645 0 40 FCAB O=C(NCCc1ccc(O)cc1)c1nc(CC(=O)N2CCOCC2)no1 44900779 XTBZMTUVNQTHFY-UHFFFAOYSA-N 360.370 0.149 0 40 FCAB NS(=O)(=O)CCNC(=O)c1cc(Br)c2c(c1)OCCO2 58178371 XSUOQNPVSAYFAG-UHFFFAOYSA-N 365.205 0.239 0 40 FCAB COC(=O)[C@H](C)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 84640070 XKSPBGNZIDKJMN-MRVPVSSYSA-N 369.848 0.831 0 40 FCAB CO[C@@H]1[C@H](C)[C@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C12CCC2 95995780 WUNMXGNCKUNPQV-BYCMXARLSA-N 365.455 0.804 0 40 FCAB NC(=O)c1coc(CNC(=O)N2CCN(CC3CCOCC3)CC2)c1 188021756 VVLTWGVLOGQPNN-UHFFFAOYSA-N 350.419 0.632 0 40 FCAB COc1cc(N2CCCC2)nc(NC(=S)NCCN2CCOCC2)n1 225902783 OCBOCZBTNHFILC-UHFFFAOYSA-N 366.491 0.704 0 40 FCAB CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)c1n[nH]c2c1CCCC2 257207038 BGBYKFUBAWQVBA-GOSISDBHSA-N 356.430 0.792 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cc(-c3ccnn3C)ncn2)C1 257273805 NIGMNYRUTJZRQV-LBPRGKRZSA-N 350.448 0.548 0 40 FCAB CCCS(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)c3csc(C)n3)[C@H]2C1 575405786 UGICXKDBMIMQBO-OUCADQQQSA-N 373.500 0.868 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 575423288 OWOUZPJONQIBBZ-LBPRGKRZSA-N 363.457 0.174 0 40 FCAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2ccccn2)C1 585291805 SVBYOWNFZPKDMY-QUCCMNQESA-N 355.438 0.738 0 40 FCAB Cc1nc(C)n(C[C@@H]2CCCN2C(=O)[C@H](C)n2cnc3c(N)ncnc32)n1 628588194 FLVCKJAOBVIWMC-GWCFXTLKSA-N 369.433 0.869 0 40 FCAB Cc1csc(=O)n1CCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 674691016 DLSOUJSRAPIYKZ-UHFFFAOYSA-N 373.500 0.681 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cc(F)cc(Cl)c3)C2)C1 685942600 PKEQDXDYCGEHNU-SNVBAGLBSA-N 353.781 0.898 0 40 FCAB CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CO1 1565553780 FCHLONJLARMFAL-BYNSBNAKSA-N 351.447 0.596 0 40 FCAB Cn1cnc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)Nc3ccccc3)C2)n1 1614928411 NXEVEJNHGQFTBK-LBPRGKRZSA-N 366.385 0.318 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 4537526 ICCXKLSOKHDUBT-HIFRSBDPSA-N 357.366 0.943 0 40 FCAB CNCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8297629 HVGGFWJLCRZLFU-LXZKKBNFSA-N 358.446 0.617 0 40 FCAB biogenic,in-vitro Cc1ccccc1[C@@H](C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 9317322 MCMCTKPLACZUIM-GFCCVEGCSA-N 355.398 0.620 0 40 FCAB CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@@H]2O)cc1F 11616162 GAGWJHPBXLXJQN-GMTLJSCSSA-N 359.354 0.760 0 40 FCAB biogenic,in-vitro CCCNC(=O)[C@H]1C[C@@H](c2ccc(OC)c(OC)c2)NS(=O)(=O)N1C 12159607 PWYWGOPJTGGKMI-QWHCGFSZSA-N 371.459 0.810 0 40 FCAB Cc1nnc(COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 14183485 VKDRDJAQHAOHOE-UHFFFAOYSA-N 367.383 0.756 0 40 FCAB O=C(CSc1nc(=O)c2cnn(CCO)c2[nH]1)Nc1ccc(F)cc1 15881216 KWGJDIMWJCYTOE-UHFFFAOYSA-N 363.374 0.982 0 40 FCAB c1cncc([C@H]2N=C3NCN(n4cnnc4)CN3c3nc4ccccc4n32)c1 20638705 STUBCOWQZOTAPY-INIZCTEOSA-N 372.396 0.902 0 40 FCAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1ccncc1 20733197 HEVRCJVRFBZKPT-UHFFFAOYSA-N 365.393 0.725 0 40 FCAB CC(C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22228079 XAPAGEXAIZZNPN-UHFFFAOYSA-N 367.471 0.654 0 40 FCAB Cc1cc(C)n2nc(C(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)nc2n1 24680965 XCTFDCZDCJUKPB-GFCCVEGCSA-N 366.447 0.285 0 40 FCAB CN(Cc1ccccc1)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 29485403 HSSCDDCAWFSHLZ-UHFFFAOYSA-N 369.425 0.873 0 40 FCAB CCS(=O)(=O)NCCNC(=O)c1ccc(N2CCCCC2=O)cc1 31221742 WNQCVWNFUKIPPX-UHFFFAOYSA-N 353.444 0.873 0 40 FCAB COCCn1cc(NC(=O)NCCNC(=O)c2n[nH]c3ccccc23)cn1 58148067 XWYNVKKTKFXRKT-UHFFFAOYSA-N 371.401 0.957 0 40 FCAB CON(C)C(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72327091 LWRVIZIBCNTHRZ-PIGZYNQJSA-N 361.402 0.354 0 40 FCAB COc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1 95998975 AMSLMRHOCQRZMW-CQSZACIVSA-N 369.443 0.357 0 40 FCAB O=C(O)[C@H]1CN(c2ncccn2)C[C@H]2CN(Cc3ccoc3)CCN2C1 96092129 HUBPJPGTCZAOFD-HZPDHXFCSA-N 357.414 0.777 0 40 FCAB Cn1nc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)ccc1=O 96121863 SZIWFMVTWCEXEK-UHFFFAOYSA-N 351.359 0.218 0 40 FCAB CCOC(=O)Cn1/c(=N/C(=O)CC)sc2cc(S(N)(=O)=O)ccc21 100877617 USWDPJYIHTYXSH-PEZBUJJGSA-N 371.440 0.751 0 40 FCAB COc1ccc(C(=O)NC[C@]2(COc3cnccn3)C[C@H](O)[C@H](O)C2)cc1 107430473 ALVXSIIJPGOYHE-HGKCTWBKSA-N 373.409 0.796 0 40 FCAB biogenic,in-vitro Cc1cccc(C(=O)N2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)n1 248070456 GBDPKNQKEGVUOB-CQSZACIVSA-N 363.443 0.723 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)CCn2ncc3ccccc32)CCN1C(C)=O 257241571 HYOWJMOZNQXOOU-MRXNPFEDSA-N 357.414 0.232 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCO)C1 408713753 SNTKBZNSYUBVQF-GFCCVEGCSA-N 374.434 0.734 0 40 FCAB COCc1cc(NC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)ncn1 585088657 HBNCGUCIWSMHFJ-INIZCTEOSA-N 351.407 0.460 0 40 FCAB COc1cc(CCNC(=O)C[C@@H]2CS(=O)(=O)CCN2C)ccc1C 644360633 MJLKAAGKDQUTDB-OAHLLOKOSA-N 354.472 0.781 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3ccc(NC(C)C)nc3)C2)C1 685941927 JMDDVDPBNUKVOK-CYBMUJFWSA-N 359.430 0.321 0 40 FCAB CO[C@H]1C[C@@H](CN(C)C)N(c2cc(N3CCc4n[nH]cc4C3)ncn2)C1 685942910 SVKIFHVVKHTGIA-GJZGRUSLSA-N 357.462 0.918 0 40 FCAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc2c(c1)OCO2 4025194 AKIVAEMHBBAVNN-ATNYBXOESA-N 364.350 0.801 0 40 FCAB biogenic Cc1cc(C)nc(SCC(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 7780224 MASVXUMZFVCOSB-LLVKDONJSA-N 373.456 0.032 0 40 FCAB CN(C)C(=O)CN1C(=S)N(c2ccccc2F)[C@H]2CS(=O)(=O)C[C@@H]21 9344052 UFTDFGBLUYARQI-STQMWFEESA-N 371.459 0.486 0 40 FCAB CC(C)CNC(=O)CN1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 23249067 VXHMSTRUZGAGSW-KRWDZBQOSA-N 350.438 0.742 0 40 FCAB CNS(=O)(=O)c1ccc(C(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 30603620 POPWMCZUTNPVLM-MRXNPFEDSA-N 369.487 0.681 0 40 FCAB O=C1CN(C(=O)CN2CCN(c3ncccn3)CC2)c2ccccc2N1 36391068 CLMBHVIOXIKQEO-UHFFFAOYSA-N 352.398 0.584 0 40 FCAB CN(Cc1ncc(CC(=O)O)c(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1 49468655 GHKACEBOEGLPPW-UHFFFAOYSA-N 371.802 0.871 0 40 FCAB O=C(CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)Nc1cn[nH]c1 51414076 QNDPKCRJZFEVQK-UHFFFAOYSA-N 356.317 0.463 0 40 FCAB CSCC[C@H]1NC(=S)N([C@@H]2CCCN(S(C)(=O)=O)C2)C1=O 58210217 ICAVKINJYWWVDH-NXEZZACHSA-N 351.519 0.249 0 40 FCAB COCCOC[C@H](C)NC(=O)Cc1csc(N2CCCNC2=O)n1 72296750 XUJIJQMTKZGNPP-NSHDSACASA-N 356.448 0.773 0 40 FCAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(S(C)(=O)=O)CC3)C1=O 96262677 HVRRESVTIXYLEI-MRXNPFEDSA-N 357.476 0.129 0 40 FCAB CN(C)c1ncc(C(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)cn1 257302542 SDGUFCPCMPYASY-CQSZACIVSA-N 358.402 0.512 0 40 FCAB CC(=O)N1CCN(C(=O)CCn2ncc3ccccc32)C[C@@H]1C(=O)N(C)C 257311066 UHUKSDKWRURSNH-QGZVFWFLSA-N 371.441 0.574 0 40 FCAB NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(F)ccc1Br 272006532 SXKNBLSZGPFXCE-VIFPVBQESA-N 367.196 0.463 0 40 FCAB CN1C[C@H](C(=O)N(C)Cc2ccccn2)O[C@]2(CCN(C(=O)C3CC3)C2)C1 306143983 YSOBMBOSQNWYSW-YLJYHZDGSA-N 372.469 0.752 0 40 FCAB CC(=O)N1C[C@@H]2CN(C(=O)COc3ccccc3)CCN2[C@](C)(CO)C1 514288342 VTLQDRJATCEMPA-LPHOPBHVSA-N 361.442 0.191 0 40 FCAB biogenic,in-vitro CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(-c2ncn(C)n2)cc1 643948730 YCLVVXLQEQFCMY-SFHVURJKSA-N 357.414 0.849 0 40 FCAB CC[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@H](CC)CO1 651992155 YBRGUGGCXOEADW-OLZOCXBDSA-N 369.443 0.840 0 40 FCAB O=C(CN1CCN(c2nccc(N3CCOCC3)n2)CC1)N1CCCCC1 675720529 WVYOVOUTANJOGQ-UHFFFAOYSA-N 374.489 0.448 0 40 FCAB C[C@@H]1Cn2nc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)cc2CN1 1122003353 RTQFCINGJMKXCK-CYBMUJFWSA-N 368.441 0.436 0 40 FCAB COc1cc(C(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3COc2cccnc2)on1 1565542845 XUDNLXPPCVDWLU-KZULUSFZSA-N 372.381 0.736 0 40 FCAB O=C([C@H]1CN(Cc2nnc(C(F)(F)F)o2)CCO1)N1CCOCC1 1889111402 OKGNAEGSJPFJTB-SECBINFHSA-N 350.297 0.148 0 40 FCAB Cn1cc(C(=O)N2CCO[C@]3(COCC(=O)N(c4ccccc4)C3)C2)cn1 2037984643 IEBMIAZMRBNESX-LJQANCHMSA-N 370.409 0.695 0 40 FCAB COc1cc(OC)nc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086884523 FGYMJCFLWLBNIL-LLVKDONJSA-N 372.372 0.957 0 40 FCAB OC[C@@H]1O[C@@H](n2cnc3c(SCc4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 4537768 OMJRXFOHHLLDFR-XZBIERFOSA-N 374.422 0.730 0 40 FCAB in-vitro C[C@@H](Sc1n[nH]c(=O)n1C[C@H]1CCCO1)C(=O)NC(=O)NC(C)(C)C 7301430 HKGWZDHASIUZEF-NXEZZACHSA-N 371.463 0.855 0 40 FCAB Cc1csc(=O)n1CCC(=O)OCC(=O)NC(=O)c1cccn1C 7737157 VKTWUNNAMPUZQO-UHFFFAOYSA-N 351.384 0.447 0 40 FCAB Cc1cc(C)n(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 12187894 RYNURWURZGHCGC-UHFFFAOYSA-N 350.400 0.809 0 40 FCAB COc1ccc(N2C[C@@H](NC(=O)c3cccn4nnnc34)CC2=O)cc1 19661823 QNTKJYGNQOBYAB-NSHDSACASA-N 352.354 0.668 0 40 FCAB CCCNC(=O)CNC(=O)CCNS(=O)(=O)c1cc(C)ccc1C 22692202 XNRDAOBFDPZMPS-UHFFFAOYSA-N 355.460 0.614 0 40 FCAB CC(C)CNC(=O)CC[C@@H]1NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O 32922284 VKEQLKHEUZREOA-KBPBESRZSA-N 368.478 0.074 0 40 FCAB CCN(C1CCN(C(=O)N[C@@H](C)CN2CCCC2=O)CC1)S(C)(=O)=O 66977318 RXBACWYUBHJIHT-ZDUSSCGKSA-N 374.507 0.453 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(C(=O)c1ccncc1)CCN(C(=O)N(C)C)C2 96036226 ZVLUONWPPFDTBA-IBGZPJMESA-N 373.457 0.760 0 40 FCAB CN(C)C(=O)N1CCC[C@]2(CCN(S(=O)(=O)c3cn(C)cn3)C2)C1 96215550 WDDBNTWKZIWANX-HNNXBMFYSA-N 355.464 0.578 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)Cc3ccccn3)CC[C@@H]2C1 96249823 ZTTGVEHMTQFNFX-UKRRQHHQSA-N 353.444 0.133 0 40 FCAB CN(C)CC(=O)N1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 96263859 TXGCZLZKYQGTTL-STQMWFEESA-N 353.444 0.279 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cncc(-c3cnn(C)c3)n2)C1 257256601 KMEGBZOHVKDPAR-CYBMUJFWSA-N 364.475 0.938 0 40 FCAB CN1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 409200414 RZAZBGOBLZOAIC-UHFFFAOYSA-N 369.487 0.916 0 40 FCAB CCOC(=O)N1CCC(O)(CN2C[C@@H]3CCCN3C[C@H]2CCO)CC1 585282211 BQVTWOFMYINNMP-JKSUJKDBSA-N 355.479 0.501 0 40 FCAB COC(=O)[C@@H]1C[C@H](O)CN(C(=O)NCc2ccccc2Cn2ccnc2)C1 591903978 WBHPOCMRBIKGAC-SJORKVTESA-N 372.425 0.997 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1ccc2c(c1)OCO2 643703738 BCVVVBGCUWZDGO-OAHLLOKOSA-N 356.400 0.331 0 40 FCAB Cc1c([C@@H]2[C@@H](C(=O)N(C)CCN3CCCC3=O)CC(=O)N2C)cnn1C 683318569 KZKMTAYMAFSKGN-GUYCJALGSA-N 361.446 0.329 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1 1137123016 BYBGEAUMSLEOGH-UHFFFAOYSA-N 369.381 0.739 0 40 FCAB Cc1nc(N2C[C@@H]3CN(c4ncnc5n[nH]cc45)C[C@H]3C2)nc(O)c1F 1888919411 BOKMFPUQFXUNFX-UWVGGRQHSA-N 356.365 0.869 0 40 FCAB CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(C)=O)CC3)C1=O 2055795684 DMEFUYFZAUVLQD-MRXNPFEDSA-N 357.476 0.129 0 40 FCAB CCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21 1068324 GSYKOSARJYUHES-UHFFFAOYSA-N 356.356 0.620 0 40 FCAB Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)n(CCCc2ccccc2)c1=O 4962157 LGNMCLVPLLWTIZ-IKGGRYGDSA-N 360.410 0.592 0 40 FCAB Nc1nc(O)nc(O)c1C(c1ccccc1F)c1c(N)nc(O)nc1O 5583913 MJGZMMGYIQTPQB-UHFFFAOYSA-N 360.305 0.573 0 40 FCAB CNC(=O)CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 5825489 WQCRAFPMYMCUTL-UHFFFAOYSA-N 350.378 0.921 0 40 FCAB COC(=O)C1CCN([C@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)CC1 9646205 CKMGOWIPDPMHDF-AWEZNQCLSA-N 360.366 0.902 0 40 FCAB Cc1ccc(C)c(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 51768455 PBVBZSWVMWWKCI-UHFFFAOYSA-N 366.531 0.913 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1 56175078 GDJNTLCTSAEKIP-SNVBAGLBSA-N 364.402 0.609 0 40 FCAB CN(CCC(=O)N(C)C)C[C@H](CC(=O)Nc1cccc(O)c1)C(=O)O 71282155 HDQGOVPZHAECTR-LBPRGKRZSA-N 351.403 0.832 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H]2OCC[C@@]2(CCNc2ncccn2)C1 96208366 NBQWSRHFHVHKQH-HIFRSBDPSA-N 355.464 0.566 0 40 FCAB CN1CCN(C[C@@H]2CO[C@@]3(CCCN(C(=O)c4cnccn4)C3)C2)CC1 96228455 POUIBKNFXSRTBP-APWZRJJASA-N 359.474 0.735 0 40 FCAB Cc1cc(CN(C)C(=O)[C@@H]2CN(C(=O)c3c[nH]nc3C)CCN2C)no1 257207963 BKBUHHHEGNJUGM-HNNXBMFYSA-N 360.418 0.429 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)CN1CCOCC1 257248097 JCBUEVCBZRMALO-LBPRGKRZSA-N 356.448 0.199 0 40 FCAB CN(C[C@]1(O)CCN(c2cc(N(C)C)ncn2)C1)C(=O)c1cccn1C 257252559 JVEXMSSLUCXFIK-GOSISDBHSA-N 358.446 0.595 0 40 FCAB c1nc(N2CCOCC2)cc(N2CCN(c3ncnc4nc[nH]c34)CC2)n1 265549369 GRZDPMINLBFGAU-UHFFFAOYSA-N 367.417 0.306 0 40 FCAB O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc2cc[nH]c2n1 329365329 GJLIBLXATKWKIE-CQSZACIVSA-N 357.414 0.226 0 40 FCAB CC(C)Oc1cccc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)n1 330445668 HDAAXKMRPBQSPQ-LBPRGKRZSA-N 356.448 0.514 0 40 FCAB COCCn1nnc2c1CCN(C(=O)N[C@H]1CC(=O)N3CCCC[C@@H]13)C2 514989124 BZHJGESMZTXTBO-JSGCOSHPSA-N 362.434 0.146 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1 566656290 PPPZPWGGEXTNSW-DZGCQCFKSA-N 356.444 0.189 0 40 FCAB COc1ccc(C(=O)CNCCN[C@@H]2CCS(=O)(=O)C2)cc1OC 575424631 UVBKUIPGMJZACV-CYBMUJFWSA-N 356.444 0.253 0 40 FCAB CCCS(=O)(=O)N1CCn2cc(CC(=O)NCCOC)nc2[C@H]1C 585097936 PNMFWWQREZQKTQ-GFCCVEGCSA-N 358.464 0.305 0 40 FCAB CS(=O)(=O)N=S1(=O)CCN(C(=O)Nc2cccc3c2CCO3)CC1 585138627 SDQNHWPDQDRAOT-UHFFFAOYSA-N 373.456 0.897 0 40 FCAB CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc2ccccc2o1 644174792 QBKJXKVUCQURRK-LBPRGKRZSA-N 350.396 0.808 0 40 FCAB Cc1nnc2n1C[C@H](C(=O)NC1(c3ccc4c(c3)OCO4)CC1)N(C)C2 644395048 RXXNZXCZFPWCGD-CYBMUJFWSA-N 355.398 0.935 0 40 FCAB CN(C)S(=O)(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 1251069370 DHJMJFNSGRKGSO-LSDHHAIUSA-N 353.444 0.266 0 40 FCAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCCO 6883408 XHCVEERQCLMBTC-UHFFFAOYSA-N 356.444 0.739 0 40 FCAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 7425828 PBFRGBSSYLTICH-LLVKDONJSA-N 359.386 0.295 0 40 FCAB C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(C(=O)C2CC2)CC1 14093101 FMCHRIPZZMJOJP-CYBMUJFWSA-N 356.426 0.914 0 40 FCAB CC1CCN(CCNC(=O)Cn2c(=O)c3ccccc3n(C)c2=O)CC1 19496907 JQWDFBJGWPBLFR-UHFFFAOYSA-N 358.442 0.548 0 40 FCAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCCO)c1 22229620 DFENVYVNXIWFTO-CQSZACIVSA-N 356.444 0.655 0 40 FCAB COc1ccc(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)cc1 22996939 CVEBTKCXFWTDQV-MRXNPFEDSA-N 365.430 0.789 0 40 FCAB O=C(O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 26477589 SONYREZLNPSXTH-JTQLQIEISA-N 360.819 0.942 0 40 FCAB Cc1ccc2cnn(CCC(=O)N3CCN(S(C)(=O)=O)CC3)c2c1 40759281 HQKYVFZKPKNOPH-UHFFFAOYSA-N 350.444 0.839 0 40 FCAB COc1ccc2nnc(CCC(=O)N3CCN(c4ccccn4)CC3)n2n1 71285273 BUYKVUSGRBYFDZ-UHFFFAOYSA-N 367.413 0.809 0 40 FCAB CCn1cc([C@@H]2C[C@H](C(=O)NC(C)(C)C)N(C)S(=O)(=O)N2)c(C)n1 72335029 PEQYEWWXRMTZSX-QWHCGFSZSA-N 357.480 0.706 0 40 FCAB COc1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 75055150 SCOGTZRBTACVQW-HNNXBMFYSA-N 354.428 0.707 0 40 FCAB CC(C)NC(=O)NC[C@H]1O[C@H](Cc2cc(CN(C)C)on2)CC[C@@H]1O 85435910 RCLLALKLADYINK-CWRNSKLLSA-N 354.451 0.895 0 40 FCAB biogenic,in-vitro CC(C)NC(=O)CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 96005076 MLIHLIGKTPLSQB-OAHLLOKOSA-N 373.519 0.954 0 40 FCAB Cc1ccc(CN2CCOC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CO3)o1 96051428 UBWGSBIUEFJPBF-GOSISDBHSA-N 360.414 0.956 0 40 FCAB Cn1ccnc1CN1CC[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 96062387 AJZNSVUUWGFWAB-IBGZPJMESA-N 362.474 0.898 0 40 FCAB COc1ccc([C@H](CC(=O)N2CCN(C)CC2)NS(C)(=O)=O)cc1 225956924 QMUVGCFOBXZBMY-HNNXBMFYSA-N 355.460 0.450 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1 252478316 AJEJSBSOXXWGNS-UHFFFAOYSA-N 363.399 0.213 0 40 FCAB CC(C)(CC(=O)O)CC(=O)N1CC[C@@H](n2ccc(O)nc2=O)[C@](C)(O)C1 257283077 OWRPORSXPVDUMX-PIGZYNQJSA-N 367.402 0.364 0 40 FCAB CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)c1n[nH]c2c1CCC2 257338010 YVKKNJQDEDCWHL-SFHVURJKSA-N 356.430 0.792 0 40 FCAB CS(=O)(=O)NCC[C@H]1CN(C(=O)N2CCCC2)Cc2ccnn2C1 306145094 ZXXNRQDORZWDTC-ZDUSSCGKSA-N 355.464 0.470 0 40 FCAB Cn1cc(S(=O)(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)c(C(F)(F)F)n1 555351952 YIPNFLXLEKXWCW-GZMMTYOYSA-N 366.365 0.774 0 40 FCAB COC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cc1 575617436 APKAMVFNNDTVMF-AWEZNQCLSA-N 366.381 0.920 0 40 FCAB Cc1cc(O)cc(=O)n1CC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 1298192193 QBKALOKJLHOVPQ-UONOGXRCSA-N 355.394 0.670 0 40 FCAB CCOC(=O)[C@@H]1COC2(CCN1C(C)=O)CN(C(=O)C1CC(C)C1)C2 1565552549 ZKAGAGOZMDTTMZ-ZALBZXLWSA-N 352.431 0.814 0 40 FCAB Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)OC[C@H]2CCCO2)cn1 1615585914 IAQNXTBKNGAHAA-ZIAGYGMSSA-N 357.432 0.897 0 40 FCAB C[C@@H]1OC2(C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2nccn2C)CN(C)C1=O 1888866857 JRAJOVKERGCVJV-RAGMHUQYSA-N 368.459 0.352 0 40 FCAB CNc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N)[C@@H]3SC2)s1 3151495 SMMCOWGSFHSCMY-XRGYYRRGSA-N 359.458 0.253 0 40 FCAB biogenic CC(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)O 4264717 VBVNAGGXPWGYAJ-RKHMABHUSA-N 373.402 0.608 0 40 FCAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)NCCc2ccccc2)C(=O)N1 9939531 HRVBDDMXWSUJGR-KGLIPLIRSA-N 350.440 0.899 0 40 FCAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCN(C(=O)C2CC2)CC1 14084296 SUBUJUBNKLQBCB-HUUCEWRRSA-N 359.426 0.409 0 40 FCAB CC(C)[C@@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NC(N)=O 15279135 VHEDCPBIIOMTLG-LLVKDONJSA-N 357.388 0.434 0 40 FCAB NC(=O)CN1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 19848964 NGVDUZCVTHSTCA-CYBMUJFWSA-N 350.806 0.075 0 40 FCAB CC(C)C(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)N(C)C)cc1 21682538 ZUPWLKPVYUTZGY-UHFFFAOYSA-N 356.448 0.407 0 40 FCAB COc1ccc(C(C)=O)c(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c1 24229363 LIVXWNONYPAWRI-UHFFFAOYSA-N 370.427 0.380 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 40033580 ARPNYRPBYGYRJV-HNNXBMFYSA-N 354.476 0.417 0 40 FCAB CC(C)[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 49604876 SOODLZHDDSGRKL-MIMASFHYSA-N 353.415 0.244 0 40 FCAB in-vitro Cc1nn(C)c2ncc(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)cc12 58151382 QIOYPDBJTCMRPJ-GFCCVEGCSA-N 351.432 0.334 0 40 FCAB CS(=O)(=O)N1CC[C@]2(CCC[C@H](CNC(=O)c3ccncc3)O2)C1 96209571 MPPXMPBLNZELKQ-GDBMZVCRSA-N 353.444 0.785 0 40 FCAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CCc1ccc(S(C)(=O)=O)cc1 225632991 UASLHFLLQAYVPZ-HIFRSBDPSA-N 369.439 0.812 0 40 FCAB COc1ccc(C(=O)N2C[C@H]3OC[C@H](CNS(C)(=O)=O)[C@H]3C2)cc1F 248150877 WAZBLIIAIDWJJV-YWPYICTPSA-N 372.418 0.471 0 40 FCAB Cc1cc(-c2cnc(C[C@H]3CCN(S(=O)(=O)N(C)C)C3)cn2)[nH]n1 257213040 CFXYIERPIMOMRZ-GFCCVEGCSA-N 350.448 0.846 0 40 FCAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)Cn1cc(Cl)cn1 257318923 VPYXHFZAXOMNMT-HNNXBMFYSA-N 350.810 0.426 0 40 FCAB COCC(=O)NCC[C@H]1CN(Cc2cc(C)nn2C)Cc2ccnn2C1 306141789 WGOCOJGAOFRIEZ-HNNXBMFYSA-N 360.462 0.710 0 40 FCAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(C(=O)O)cn1 618191336 UHXGIKWZCHLBSQ-GFCCVEGCSA-N 355.416 0.714 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(c2ncc(C(=O)N(C)C)cc2Cl)C1 643720548 HRZJCPDBXINKON-MRXNPFEDSA-N 354.838 0.904 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@H]2C[C@@H](COCCN3CCCC3)C[C@@H]21 1565544419 KJMCVJPNVDTPLI-KCTOORRSSA-N 364.486 0.997 0 40 FCAB Cn1cnc(C(=O)N2CCCn3cnc(C(=O)Nc4cccnc4)c3C2)n1 1565549443 RGKCOKLDPSXBGL-UHFFFAOYSA-N 366.385 0.705 0 40 FCAB Cn1ccc(CCC(=O)N[C@@H]2CC[C@H](CNC(=O)C(C)(C)C(N)=O)C2)n1 1739886365 YHYLZDLMBGWSRQ-GXTWGEPZSA-N 363.462 0.265 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)N1C[C@H]2CN(c3cnccn3)C[C@@H]2C1 1888913831 PXAXUFTZYROEKY-ZIAGYGMSSA-N 365.393 0.979 0 40 FCAB CN(C)CC(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745632 PLFUTQACWAFVPF-UHFFFAOYSA-N 351.476 0.756 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCO)C1 6844650 VHSYMMVVAIVWOL-AWEZNQCLSA-N 370.471 0.903 0 40 FCAB C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 8992461 APZVUZBCYWASAN-GFCCVEGCSA-N 356.382 0.447 0 40 FCAB CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(Cl)cc1 10283455 UHGSPCCTFCXHFA-UHFFFAOYSA-N 359.835 0.407 0 40 FCAB Cc1nn(CC(=O)N2CCOCC2)c(=O)c2c1cnn2-c1ccccc1 12227847 JMFPKWADJMXLSM-UHFFFAOYSA-N 353.382 0.749 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2-n2cnnn2)CC1 20723664 QRRHGGULXQXYFC-UHFFFAOYSA-N 370.822 0.033 0 40 FCAB COC(=O)C[C@@H]1NC(=O)N(CN2CCN(Cc3ccccc3)CC2)C1=O 23249165 JAAQAHMCLRELDQ-HNNXBMFYSA-N 360.414 0.245 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 32916597 QGPJFUJANQJLOF-GFCCVEGCSA-N 362.473 0.645 0 40 FCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CC(F)(F)F)CC2)C[C@@H](C)O1 42753160 VAPHKMRUNCNEHQ-PHIMTYICSA-N 373.397 0.437 0 40 FCAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 48251827 RLELWZBGARCIKR-JSGCOSHPSA-N 354.428 0.947 0 40 FCAB CNC(=O)NC(=O)CCN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 58244448 FULTXPIBVDJYBS-INIZCTEOSA-N 362.342 0.028 0 40 FCAB Cc1cc(N2CCN(C(=O)Cn3nc(C)cc3C)CC2)n2ncnc2n1 73920276 LUOVLWKSSKEZNI-UHFFFAOYSA-N 354.418 0.595 0 40 FCAB O=C(Cn1cnnn1)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 77199762 YVONHMNAWUHNBE-UHFFFAOYSA-N 355.314 0.410 0 40 FCAB COC(=O)c1occc1CN1CCN(CC(=O)Nc2nncs2)CC1 83891564 HMRIYBNGSNYJPE-UHFFFAOYSA-N 365.415 0.674 0 40 FCAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)NC(=O)NC1CCCCC1 84543973 MAHCCDHHCBVWOB-UHFFFAOYSA-N 365.478 0.041 0 40 FCAB COC[C@H](O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 95451821 KOKFWBJXGVGCIF-TZMCWYRMSA-N 364.398 0.324 0 40 FCAB Cn1cc(N2C[C@@]3(COCCN(C(=O)c4ccco4)C3)OCC2=O)cn1 96051439 AMGIBCQEZLFMQT-KRWDZBQOSA-N 360.370 0.288 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]2C1 96110911 HRQNGACDBNAYPW-UKRRQHHQSA-N 356.419 0.487 0 40 FCAB CN1CCN(c2c(N3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1 101701835 YCPNHTDSPPGQCA-UHFFFAOYSA-N 354.454 0.357 0 40 FCAB CN(C)C(=O)[C@@]1(C)CN(C(=O)c2ccnc(-c3cncnc3)c2)CCO1 257237135 HFHVFPWDEIFMBR-GOSISDBHSA-N 355.398 0.858 0 40 FCAB CC(=O)Nc1cccc([C@@H]2CN(CC(N)=O)C[C@]23CCCCC(=O)N3)c1 257249411 JIFJXVRMDJSDCJ-QFBILLFUSA-N 358.442 0.959 0 40 FCAB COCCN1C(=O)CO[C@@H]2CCN(C(=O)CCCn3cccn3)C[C@@H]21 257338846 YZDXPQRTNBTDJT-LSDHHAIUSA-N 350.419 0.138 0 40 FCAB C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CCN1S(C)(=O)=O 271861411 DRRQNHFFRVWFEZ-KBPBESRZSA-N 367.475 0.336 0 40 FCAB Cc1cc(N2Cc3ccnn3[C@@H](CC(=O)N3CCC3)C2)n2ncnc2n1 306135431 OQJCZYNQOMNDRV-AWEZNQCLSA-N 352.402 0.813 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)NCCN1C(=O)c2cccnc2C1=O 390830625 MGYLAISVTAWXLL-UHFFFAOYSA-N 366.333 0.402 0 40 FCAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCN1CCCC1=O 524731122 KTTVJEQKXYMOGC-AXHNFQJDSA-N 357.410 0.835 0 40 FCAB biogenic Cn1cccc(C(=O)N2CCn3c(nc(CN4CCCC4)cc3=O)C2)c1=O 1565553830 KYBSVNFTEJYVKT-UHFFFAOYSA-N 369.425 0.194 0 40 FCAB Cc1noc(CC(=O)N2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)n1 1565555315 GDWUYPCIIYGWNE-CRAIPNDOSA-N 365.430 0.839 0 40 FCAB O=C(NC1CCC1)c1nnc2n1C[C@@]1(CCN(C(=O)c3cc[nH]c3)C1)OC2 1565555683 NJJFAPRNLYNAOB-SFHVURJKSA-N 370.413 0.704 0 40 FCAB O=C(CCF)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccccc1)S3(=O)=O)O2 2055785548 PRDJFLLJTCYPJX-VYDXJSESSA-N 368.430 0.930 0 40 FCAB CCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1 1391739 WHPBLVNOWAUMGE-LBPRGKRZSA-N 360.819 0.782 0 40 FCAB COc1ccc(Cl)cc1NC(=O)C[C@@H](NCCOCCO)C(=O)O 4357153 SIWFYYULMODNCP-GFCCVEGCSA-N 360.794 0.729 0 40 FCAB Cn1c(=O)c2c(ncn2CCC(=O)NCCc2ccccc2)n(C)c1=O 4943422 SWRQXZGCIFSKPF-UHFFFAOYSA-N 355.398 0.183 0 40 FCAB C[C@H](OC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)C(N)=O 7547601 NJNSMLKEOQRDPV-WDEREUQCSA-N 365.411 0.265 0 40 FCAB O=C1CN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CCN1 7990037 COUUHLKVWJJJKL-UHFFFAOYSA-N 361.423 0.467 0 40 FCAB COc1cc(OC)c2c(C)c(CC(=O)NC[C@@H](O)CO)c(=O)oc2c1 8764727 ZMXIKTRJKQUAOR-SNVBAGLBSA-N 351.355 0.131 0 40 FCAB biogenic Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cn2cnnn2)c1C 9216653 JXXVOUAUKXSCTB-HNNXBMFYSA-N 372.429 0.936 0 40 FCAB Cc1cc(NS(=O)(=O)c2c(C)noc2C)n([C@@H]2CCS(=O)(=O)C2)n1 11795988 KGPAHMRIUNCGJP-LLVKDONJSA-N 374.444 0.957 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)COc2c(F)c(F)cc(F)c2F)CC1 12623051 LKUHGXJVCONKFD-UHFFFAOYSA-N 370.324 0.726 0 40 FCAB O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(Cn2cncn2)cc1 13733103 BSBVPTGEGQELTB-UHFFFAOYSA-N 370.413 0.394 0 40 FCAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)NCC3(C)COC3)C2)cnn1C 19716465 KGQUUKOJINPWBY-ZDUSSCGKSA-N 370.475 0.282 0 40 FCAB CC(C)NC(=O)C(=O)NCCN1CCN(C(=O)c2cccs2)CC1 19831516 VPLFTZPDWZVAJC-UHFFFAOYSA-N 352.460 0.147 0 40 FCAB Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1NS(C)(=O)=O 22822223 HEQJKUZKEMMAIT-UHFFFAOYSA-N 368.503 0.734 0 40 FCAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O 33330713 VLNXZUNHDIPYAA-SECBINFHSA-N 366.399 0.392 0 40 FCAB CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 38600468 BBFJZZWRXVVKEC-JJTUDDRGSA-N 351.399 0.945 0 40 FCAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(N)=O 39974777 ZYNRCNVXUTVQIN-JOYOIKCWSA-N 353.400 0.167 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cnc21 40033641 VLMFWTRQIDVGIN-OAHLLOKOSA-N 366.425 0.521 0 40 FCAB CC(C)(C)NC(=O)c1ccccc1NCC(=O)N[C@H]1CCS(=O)(=O)C1 58411450 ZKDYWUJNYTZZLZ-LBPRGKRZSA-N 367.471 0.930 0 40 FCAB CC(=O)N1CCN(C[C@H](CC(=O)Nc2ccc(Cl)nc2)C(=O)O)CC1 72403508 MGJVIEKMGNHPHJ-LBPRGKRZSA-N 368.821 0.929 0 40 FCAB CCNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)C1 92843849 QIAIJQORNGSHRG-WMLDXEAASA-N 365.499 0.973 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2ccncc2)C[C@@]2(CC(=O)N(C)C2)C1 96036109 WGWZGIATODWVSW-IBGZPJMESA-N 373.457 0.806 0 40 FCAB O=C(NCCn1cccc1)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96124010 WKUDRBNPQQWARF-OAHLLOKOSA-N 366.429 0.892 0 40 FCAB CC(C)Cn1cc(N2C[C@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)cn1 96192206 NLUPUTYQLFQFCX-CQSZACIVSA-N 361.446 0.616 0 40 FCAB CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NCCNC(C)=O 225401900 IBVCCQKADGUTOL-JKSUJKDBSA-N 364.421 0.330 0 40 FCAB biogenic,in-vitro O=C1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CCN1 248070317 XTULEOJPECGBEB-ZEEWZRGFSA-N 369.421 0.900 0 40 FCAB CCOc1ncccc1C(=O)N(C)C[C@@]1(O)CCN(c2ncccn2)C1 257275650 NQHACSYUVYDXIB-SFHVURJKSA-N 357.414 0.984 0 40 FCAB Cc1ncoc1C(=O)N1CC[C@@](C)(O)[C@H](n2cnc3c(N)ncnc32)C1 257316523 VFYZIMUWTJYFRE-QLJPJBMISA-N 357.374 0.543 0 40 FCAB CN(CC(=O)N1CCC[C@H](C(=O)O)C1)C(=O)[C@H]1COc2ccccc2O1 262079917 BJZIVAZDTYLLSG-SWLSCSKDSA-N 362.382 0.608 0 40 FCAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCS1(=O)=O 516584216 RPLOKHMVLPEIBY-ZIAGYGMSSA-N 350.396 0.857 0 40 FCAB Cn1cnc2c1C[C@@H](COc1ncccn1)N(C(=O)CC1(O)CCC1)C2 585094902 SVUKAPWKPVXYMX-ZDUSSCGKSA-N 357.414 0.848 0 40 FCAB C[C@@H](C(=O)N[C@H]1CCc2nc(N)sc2C1)n1cnc2c(N)ncnc21 614649059 LJZIGSNYPYOARQ-YUMQZZPRSA-N 358.431 0.682 0 40 FCAB C[C@H](C(=O)N1CCC(Nc2cccnn2)CC1)n1cnc2c(N)ncnc21 668335056 PDMGLYBYBIHLMM-LLVKDONJSA-N 367.417 0.863 0 40 FCAB COc1ccc(CCN2CNc3c(c(=O)n(C)c(=O)n3C)C2)cc1OC 785039 MFUXLQTVWABVBF-UHFFFAOYSA-N 360.414 0.529 0 40 FCAB CC(C)n1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 1357623 VRTXCQWJWCWLDU-UHFFFAOYSA-N 364.431 0.924 0 40 FCAB CC(C)[C@@H](NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)O 4090376 BJDWTUXTWLWGOI-GOEBONIOSA-N 373.409 0.991 0 40 FCAB biogenic Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccncc3)[C@@H]4C2=O)no1 9060749 VLMHIIXZOAOWBE-PSFFPDNBSA-N 366.377 0.981 0 40 FCAB COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(CCN2CCCC2)C3)ccc1O 12113452 MJKXXIGEVLZTLP-QGZVFWFLSA-N 372.425 0.947 0 40 FCAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 12944040 OKJVEQBJAZGPNT-JTQLQIEISA-N 357.432 0.248 0 40 FCAB COCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 16187817 XHPINYCTEXKPSO-UHFFFAOYSA-N 360.432 0.477 0 40 FCAB CN(CC(=O)NC(C)(C)C)C(=O)CN1CCN(Cc2ccccn2)CC1 27378844 COEWFZQMCYVWEE-UHFFFAOYSA-N 361.490 0.572 0 40 FCAB CCOC(=O)[C@@H]1CCCN(CC(=O)NN2C(=O)N[C@@](C)(CC)C2=O)C1 32753254 KPDOULXHSFDVSR-BZNIZROVSA-N 354.407 0.013 0 40 FCAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccc(F)cc1 36359126 SZKNVBRLQQKONT-GXFFZTMASA-N 357.407 0.317 0 40 FCAB CC(=O)Nc1cccc(NC(=O)CNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 36359957 UGLMSPQQUMXMAS-CYBMUJFWSA-N 368.415 0.070 0 40 FCAB O=C(NCCC(=O)N1CCCC1)c1ccc(S(=O)(=O)NC2CC2)o1 40088828 JOICRJRCLVXVKF-UHFFFAOYSA-N 355.416 0.463 0 40 FCAB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NC(N)=O)C1=O 42178569 YOKUNHMGODYHDM-ZDUSSCGKSA-N 358.276 0.667 0 40 FCAB C[C@H](CCc1ccco1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 47741085 ONYWSHXNUKKWSU-LLVKDONJSA-N 359.386 0.164 0 40 FCAB CNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 53049174 DIDGKJXFQHAZBX-LBPRGKRZSA-N 364.421 0.998 0 40 FCAB C[C@@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C 76089389 UUOUAPZJPRVFDB-BETUJISGSA-N 367.471 0.781 0 40 FCAB CS(=O)(=O)N1CCN(CN2N=C(c3ccccc3)CCC2=O)CC1 79475394 RABJTVKIDAAWCR-UHFFFAOYSA-N 350.444 0.548 0 40 FCAB Cc1nonc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 89556407 IDYUJURRNHPXND-UHFFFAOYSA-N 370.362 0.790 0 40 FCAB NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 95350094 LMEJOHLRRDARLF-SNVBAGLBSA-N 373.818 0.699 0 40 FCAB Cn1cc(N2CCC[C@@H](N3CCN(C(=O)c4cccn4C)CC3)C2=O)cn1 95961326 VMKPRXILSNCNDP-QGZVFWFLSA-N 370.457 0.712 0 40 FCAB O=C1N(CCN2CCCC2)CC[C@]12CCCN(S(=O)(=O)C1CC1)C2 96224253 BMUHXAMEAQRZQN-KRWDZBQOSA-N 355.504 0.889 0 40 FCAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(CC(=O)N2CCOCC2)C1 101921418 VLGOURPDJTUVMF-OAHLLOKOSA-N 350.394 0.880 0 40 FCAB C[C@@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1c1ncc(F)cn1 253591313 LZNURFMZBXORAT-GFCCVEGCSA-N 360.393 0.795 0 40 FCAB Cc1ccn(CCC(=O)N2CCN(CCc3ccccc3)[C@H](C(N)=O)C2)n1 257296181 RBPFNBLCMQKOMY-SFHVURJKSA-N 369.469 0.822 0 40 FCAB CC[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 562296384 LPRIMZAVBWRRSL-KBPBESRZSA-N 358.460 0.902 0 40 FCAB COCCN1C[C@@H](C(=O)N2C[C@H](c3ccccc3)[C@@H](C(N)=O)C2)CC1=O 577706732 JSHKOMJKPFCLGM-XHSDSOJGSA-N 359.426 0.209 0 40 FCAB Cn1cc(O[C@@H]2CN(Cc3cnnn3Cc3ccccc3)C[C@H]2O)cn1 628376448 WJKCGEITLYTPRW-QZTJIDSGSA-N 354.414 0.684 0 40 FCAB COc1ccc(C(=O)N2CCO[C@H](CN(CC(=O)O)C(C)=O)C2)cc1F 681941979 SZICUAXMNBRSPA-ZDUSSCGKSA-N 368.361 0.608 0 40 FCAB CS(=O)(=O)N1CC2(CN(C(=O)C3CC(F)(F)C3)C2)c2nccnc21 1565556494 KGNOHTKWLKPRBD-UHFFFAOYSA-N 358.370 0.382 0 40 FCAB c1cc(N2CCN(c3ncnc4n[nH]cc34)CC2)nc(N2CCOCC2)n1 1889211564 AMCICOBSDVXKSD-UHFFFAOYSA-N 367.417 0.306 0 40 FCAB COC(=O)Cc1cc(=O)[nH]c(NC(=N)Nc2ccc(OC)cc2OC)n1 8993094 QNTTWRCXWBRJFI-UHFFFAOYSA-N 361.358 0.961 0 40 FCAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 11038307 LWSYYGPNWZPOHV-LBPRGKRZSA-N 374.484 0.456 0 40 FCAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NC2CCCC2)N(C)S(=O)(=O)N1 12131411 SOGUBIBXHIXRMM-KBPBESRZSA-N 355.464 0.367 0 40 FCAB C[C@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H](C)O1 14187342 SFIRJRGREWNPFV-TXEJJXNPSA-N 353.444 0.332 0 40 FCAB CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O)C(=O)O 16899598 GJCUXYMAXJIYPE-QWHCGFSZSA-N 350.396 0.949 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)NCCCc2ccccc2)CC1 26145718 CHVUHPINVRXVLP-UHFFFAOYSA-N 354.476 0.753 0 40 FCAB NC(=O)C1CCN(C(=O)[C@H]2CCCN(c3ccc4nncn4n3)C2)CC1 32102872 RWOVIYJCMPTFIL-ZDUSSCGKSA-N 357.418 0.065 0 40 FCAB O=C1N=c2ccccc2=C1c1[nH]c2ccccc2c1NOCC[C@@H](O)CO 33943520 CKLAPOFDFZKCPB-GFCCVEGCSA-N 365.389 0.614 0 40 FCAB in-vitro C[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 41378922 BPCUNOJVTOUJLW-NSHDSACASA-N 354.428 0.838 0 40 FCAB CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)nc2)C1 42497605 JPULAWIQVRCVJE-HNNXBMFYSA-N 366.487 0.970 0 40 FCAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCCCOC)c1 57279511 PXECIDOGHOPZBV-UHFFFAOYSA-N 355.420 0.683 0 40 FCAB C[C@H](C(=O)NC1CC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326341 APTZVOHAMXJLGT-ZMZPIMSZSA-N 357.414 0.613 0 40 FCAB CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2)CC1 84791052 GEAPAGSCQRFZKS-UHFFFAOYSA-N 355.416 0.509 0 40 FCAB Cn1c(C(=O)N2CC[C@@H](Cc3cccc(C(=O)O)c3)C2)cc(=O)n(C)c1=O 95388855 FTEBJDFPPMEGKL-ZDUSSCGKSA-N 371.393 0.487 0 40 FCAB c1cc(CN2CCN(C[C@@H]3CN=C(N4CCOCC4)S3)CC2)no1 95442014 KAHGLPOEKXDYFX-HNNXBMFYSA-N 351.476 0.596 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2C(N)=O)cc(C)c1C 95452013 OMNJGMCWQDNPOE-GFCCVEGCSA-N 371.484 0.254 0 40 FCAB CS(=O)(=O)N1CC[C@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@H]2C1 96107162 AMVXGPDNZDSAHC-CABCVRRESA-N 356.419 0.835 0 40 FCAB COCCN1CC2(CCN(c3ncc(F)cn3)CC2)[C@H](COC)C1=O 96206441 MVRVHGUMHIEJFN-CQSZACIVSA-N 352.410 0.954 0 40 FCAB O=C(NC1CCC1)[C@H]1CCS(=O)(=O)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96250996 SKJRMKNXBXURMX-GVDBMIGSSA-N 363.483 0.985 0 40 FCAB CNC(=O)[C@@]12CCC3(CCN(S(C)(=O)=O)CC3)[C@@H]1CN(C(C)=O)C2 96262393 PMZRLXAPZCIQDT-XJKSGUPXSA-N 357.476 0.033 0 40 FCAB O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@H]1CC(=O)N(CC(F)(F)F)C1 106750374 IXBHWWQCFYLATO-RYUDHWBXSA-N 371.363 0.972 0 40 FCAB O=C1NC(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)N1 111676513 IIXSJIDCBAMYHF-ZROIWOOFSA-N 354.366 0.680 0 40 FCAB CC[C@@H](C)C(=O)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 142491991 NHVGUAJCULYBFP-VVJBETFHSA-N 356.371 0.168 0 40 FCAB biogenic,in-vitro CS(=O)(=O)NCC[C@H]1CCOC12CN(C(=O)COc1ccccc1)C2 247533667 PRTOWUUIZZGIDN-AWEZNQCLSA-N 368.455 0.622 0 40 FCAB Cc1nc([C@@]2(C)CCCN(S(=O)(=O)N(C)C)C2)nc2c1CC(=O)N2C 257238823 HMRRWCRZZFQQKT-INIZCTEOSA-N 367.475 0.464 0 40 FCAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3n[nH]c4c3CCC4)C2)ncn1 257302832 SEQWUIDKSLPVHO-GOSISDBHSA-N 356.430 0.758 0 40 FCAB COCC(=O)N1CC2(CCN(Cc3cnn(C)c3)CC2)C[C@]1(C)CO 257308716 TXVNJQJWEXADGT-QGZVFWFLSA-N 350.463 0.632 0 40 FCAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)C(C)C)C3)n1 306141346 VSVGVPZBGLRVRT-CYBMUJFWSA-N 353.444 0.836 0 40 FCAB COC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 408588541 DBNXSKWADRSDTR-MNOVXSKESA-N 360.432 0.522 0 40 FCAB CCOCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc1 585269629 DMAIRSBFSQVHDV-PMACEKPBSA-N 363.502 0.894 0 40 FCAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cnc(N3CCN(C)CC3)nc2)C1 643772544 GOPOFPYCNRXCJF-CVEARBPZSA-N 357.462 0.914 0 40 FCAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)CN2CCOCC2)C1 2055751096 HULGQOQOKBTKLF-FQEVSTJZSA-N 374.485 0.880 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3nn(C)cc3Cl)[C@@H]2SC1 2739335 HIWQXSOSGUJLGS-UFBFGSQYSA-N 356.791 0.446 0 40 FCAB CC(C)Cc1nc(S[C@@H](C)C(=O)O)c2c(=O)n(C)c(=O)n(C)c2n1 4341221 MBLYYELGPCJDFU-QMMMGPOBSA-N 352.416 0.791 0 40 FCAB CCOc1ccccc1[C@H]1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C 4495862 WIVYCHZNLJRFMG-ZDUSSCGKSA-N 369.377 0.851 0 40 FCAB Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)C3CC3)CC2)c1 12445056 GNRJUGGUFGVVAO-UHFFFAOYSA-N 351.472 0.973 0 40 FCAB COc1ccccc1O[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O 13465476 BUZDTRJMALZTAY-JSRQGNBESA-N 367.398 0.816 0 40 FCAB CC[C@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 15335919 QTLMDMIFGVFAEK-GFCCVEGCSA-N 351.428 0.556 0 40 FCAB O=C1NCCCC[C@H]1Sc1ccc(S(=O)(=O)N2CCOCC2)cn1 22202411 HSGCAYNKVSBGRF-CYBMUJFWSA-N 371.484 0.863 0 40 FCAB O=C(NCc1ccccn1)C(=O)NC[C@@H](c1ccco1)N1CCOCC1 22769448 MAIFMZDPKWIUJV-HNNXBMFYSA-N 358.398 0.481 0 40 FCAB Cc1noc(C)c1CN1CCN(C(=O)c2nc3nccc(C)n3n2)CC1 32932408 HYLCUTKOGSWTEI-UHFFFAOYSA-N 355.402 0.996 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cnns2)CC1 47413967 JCXBBQCBAQHTMH-UHFFFAOYSA-N 371.444 0.680 0 40 FCAB Cc1noc(C)c1CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 78824537 IAJHWOYHXISCHI-UHFFFAOYSA-N 362.390 0.668 0 40 FCAB Cc1cc(C(=O)N2C[C@H]3OCCN(S(C)(=O)=O)C[C@H]3C2)cc(C)n1 96207738 ZGLIJARLNUSFOP-HUUCEWRRSA-N 353.444 0.431 0 40 FCAB CN(Cc1ccccn1)C(=O)C[C@]12COC[C@H]1CN(S(C)(=O)=O)C2 96209248 QZKXIPCRVISSTO-CJNGLKHVSA-N 353.444 0.338 0 40 FCAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)N1CCC[C@H](C(N)=O)C1 100217159 IAJBVXVPMSXCGS-VJOKAODUSA-N 355.394 0.798 0 40 FCAB COCCN1C[C@@H](C(=O)O)CN2CCN(C(=O)c3ccco3)C[C@H]2C1 107768816 XULLORJRGLEDQE-ZIAGYGMSSA-N 351.403 0.069 0 40 FCAB CCc1ccc(C(=O)N2CC[C@](O)(CN3CCN(C(C)=O)CC3)C2)cc1 257220770 DMBQNEDCJABLFL-FQEVSTJZSA-N 359.470 0.990 0 40 FCAB CNc1cc(N2CC[C@@](O)(CNC(=O)CCn3nccc3C)C2)ncn1 257241468 HYCRFZLUPOBVSL-QGZVFWFLSA-N 359.434 0.171 0 40 FCAB CN(C)CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@@H]1C2 306137232 QPZBFYVWHRSNHM-KBPBESRZSA-N 358.446 0.467 0 40 FCAB Cc1cnc(C(=O)N2Cc3ccnn3C[C@@H](Oc3ncccn3)C2)cn1 306141905 WJSXREGEOGOVCQ-AWEZNQCLSA-N 351.370 0.875 0 40 FCAB CN1C(=O)CO[C@H]2CN(CC3(O)CCN(c4ccccc4F)CC3)C[C@@H]21 585282564 GZSUMEAHCNIOCF-IRXDYDNUSA-N 363.433 0.698 0 40 FCAB COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CN(C)C)[C@@H](O)[C@H]3O2)cc1 604381815 PSMANQLIUTXAJF-SGFSRKTBSA-N 364.442 0.549 0 40 FCAB biogenic,in-vitro C[C@H](C(=O)N=c1nc(C2CCOCC2)[nH]s1)n1cnc2c(N)ncnc21 629104935 JDIMQDUVFFDCBR-MRVPVSSYSA-N 374.430 0.776 0 40 FCAB CC(C)CN(C(=O)c1n[nH]c2c1C[C@@H](C)CC2)[C@@H]1COC[C@@H](O)[C@H]1O 643585664 WNIMCNYPTGRBQE-OFSOMGBPSA-N 351.447 0.753 0 40 FCAB Cn1cc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cnc4ccccc43)[C@H]2O)cn1 952844857 OIORURCXBPPWFQ-HSFUPAIVSA-N 355.398 0.585 0 40 FCAB biogenic,in-vitro Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1702537590 RXNBMBQIIMBIEJ-VHSXEESVSA-N 369.853 0.898 0 40 FCAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 2633495 PNAJMKPNQYHKFZ-RYUDHWBXSA-N 370.427 0.387 0 40 FCAB CC1(C)S[C@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O 3604143 LSQZJLSUYDQPKJ-BIAAXOCRSA-N 365.411 0.024 0 40 FCAB in-man CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1 4317877 JATVNZVCODDFNW-LLVKDONJSA-N 359.386 0.213 0 40 FCAB COCCCn1c(C(=O)NCC(=O)OC)cc2c(=O)n3ccccc3nc21 5206139 CUFDOZBPUFACJT-UHFFFAOYSA-N 372.381 0.589 0 40 FCAB CC(C)CCNC(=O)COn1nnc2ccc(S(=O)(=O)N(C)C)cc21 5457325 QQOISGLBSXWJCV-UHFFFAOYSA-N 369.447 0.273 0 40 FCAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cccc(-n3cnnn3)c2)C1=O 9683381 NSAFLWKWMWVAEJ-INIZCTEOSA-N 355.358 0.321 0 40 FCAB CC(C)C(=O)N1CCC[C@@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1 12118893 QFAFJSTWVWVEJL-LLVKDONJSA-N 351.432 0.890 0 40 FCAB CNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 27915056 QOPORCWSHBPAGR-UHFFFAOYSA-N 353.400 0.515 0 40 FCAB COc1ncccc1C(=O)NCCCN1CCN(c2ncccn2)CC1 32334303 ZDEFGUDSPJWZAT-UHFFFAOYSA-N 356.430 0.822 0 40 FCAB CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NC3CC3)CC2=O)cc1 36354323 OCMQLKHCSLPFEZ-NSHDSACASA-N 351.428 0.568 0 40 FCAB COCCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 40159846 AKGSXLMEFHBLOR-OAHLLOKOSA-N 372.443 0.523 0 40 FCAB CCn1c(=O)cc(Cl)n(CC(=O)N2CCC3(CC2)OCCO3)c1=O 95992753 CPPQYFYOXXYAQB-UHFFFAOYSA-N 357.794 0.049 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)Nc2nc3c(s2)C(=O)NCCC3)CC1 96124388 OJYSMDPWVYMFEN-UHFFFAOYSA-N 372.472 0.429 0 40 FCAB O=C(COC[C@@H]1CCOC12CN(c1ncc(F)cn1)C2)N1CCCC1 247732762 IIGAEWMDEACTOB-ZDUSSCGKSA-N 350.394 0.850 0 40 FCAB Cc1cc(C)n(CCCC(=O)NC[C@@]2(O)CCN(c3cnccn3)C2)n1 257291732 QIJSJZLTWZRESM-SFHVURJKSA-N 358.446 0.828 0 40 FCAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2S(=O)(=O)c1cn(C)cn1 257298631 RMONHVYACQMOJX-KNCOVGOOSA-N 352.460 0.973 0 40 FCAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]21 306135136 OITYBYBSODCBPS-OILRZHFISA-N 356.469 0.784 0 40 FCAB CN1C(=O)C[C@@H](CN=c2nn[nH]n2-c2ccccc2)[C@@H]1c1nccn1C 582375662 AHBFPSDDBCZHEQ-SWLSCSKDSA-N 352.402 0.449 0 40 FCAB COc1cccc(N=c2nc[nH]n3ccc(CN4CC[C](N)[C@H](O)C4)c23)c1 1560410213 MMQAUJHCJVWQTC-QGZVFWFLSA-N 367.433 0.961 0 40 FCAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(c3ncc(F)cn3)CC2)[nH]1 2055746189 WSAAWONWWXZFFD-UHFFFAOYSA-N 373.436 0.845 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(Cc5nc(C)no5)C[C@H]4C3)nn12 2086866057 MVZQSRJOHOFFTC-STQMWFEESA-N 354.418 0.946 0 40 FCAB CC1CCN(CCCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 3911039 NWHNTIXCZJHAHO-UHFFFAOYSA-N 358.442 0.928 0 40 FCAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NC[C@@H]1CCCO1 4165747 FFRBKNPYTSTQMO-AWEZNQCLSA-N 353.382 0.877 0 40 FCAB O=C(C[C@H]1CCS(=O)(=O)C1)OCCN1C(=O)c2ccccc2C1=O 4392770 ATKKQAMQHPPYPC-LLVKDONJSA-N 351.380 0.651 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3cccc(OC)c3)C2=O)C1 5091847 YTCWTQAPJJOCCC-GOSISDBHSA-N 373.365 0.869 0 40 FCAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C(=O)NC(N)=O)C(C)C 6004492 IBMRDXMOUYCTTN-LBPRGKRZSA-N 356.400 0.775 0 40 FCAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(N)=O 6464703 XQOVIISBWQAKRP-ZYHUDNBSSA-N 360.457 0.504 0 40 FCAB O=C(COC(=O)COc1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1 7058589 ZTKLZNZFRSFTIJ-NSHDSACASA-N 361.803 0.565 0 40 FCAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(C(C)=O)CC1 7456234 DMJHKPSVFFLVCQ-UHFFFAOYSA-N 356.382 0.545 0 40 FCAB C[C@@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)NCc1ccccc1 9984322 OCHOEKGEGYBIGG-CYBMUJFWSA-N 368.455 0.906 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 12551813 BYXDLMXGHGKJPP-LSDHHAIUSA-N 362.451 0.832 0 40 FCAB COC(=O)[C@@H](C)N(C(=O)COc1ccccc1)[C@@H]1CCS(=O)(=O)C1 32641318 BVQXMKSBOGNGQM-CHWSQXEVSA-N 355.412 0.643 0 40 FCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)nc2)C1 48131619 XZVADSIRMHNRGQ-LBPRGKRZSA-N 365.419 0.208 0 40 FCAB Cc1noc(CNC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)n1 96124023 UHJVEDGZDJSILF-LBPRGKRZSA-N 369.389 0.282 0 40 FCAB COc1ccccc1OCCNS(=O)(=O)c1nnc(NC(C)=O)s1 225142761 BCCOPEBOUOXCHH-UHFFFAOYSA-N 372.428 0.862 0 40 FCAB CNC[C@@H]1CCCN1C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 237098490 FXVTVWKANQGGGC-ZDUSSCGKSA-N 364.471 0.791 0 40 FCAB O=C(Cc1noc2ccccc12)NCCn1c(O)nc2ncccc2c1=O 239808015 KEOSMGBPCGKGOT-UHFFFAOYSA-N 365.349 0.997 0 40 FCAB O=C(O)[C@@H]1CN(c2ncccn2)C[C@@H]2CN(Cc3ccoc3)CCN2C1 247374130 HUBPJPGTCZAOFD-HOTGVXAUSA-N 357.414 0.777 0 40 FCAB COc1cc(CCNC(=O)C[C@H]2CS(=O)(=O)CCN2C)ccc1C 644360631 MJLKAAGKDQUTDB-HNNXBMFYSA-N 354.472 0.781 0 40 FCAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 668019445 OCGYMPDNHOOYPA-JKSUJKDBSA-N 370.413 0.156 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3ccc(NC(C)C)nc3)C2)C1 685941930 JMDDVDPBNUKVOK-ZDUSSCGKSA-N 359.430 0.321 0 40 FCAB O=C(c1ccncc1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@@H]2C1 1549163118 ZFBXTGDOQFSIKD-AWEZNQCLSA-N 356.382 0.349 0 40 FCAB CN(C)S(=O)(=O)N1CCC(CNc2ncnc3cnccc23)CC1 1776001892 QHPZMIAXUYOYIU-UHFFFAOYSA-N 350.448 0.955 0 40 FCAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5ccc(O)nn5)C[C@H]4C3)n1)CCC2 1888869694 QIKWVLAEYKJYPN-CHWSQXEVSA-N 366.425 0.978 0 40 FCAB Cc1nc(N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)nc(O)c1F 1888899389 YEPADRHOBNDMMP-GHMZBOCLSA-N 356.365 0.640 0 40 FCAB CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)NCCCCOC[C@@H](O)[C@H]1O 2037963963 DKEAVUYUSQARQV-BRSBDYLESA-N 360.495 0.386 0 40 FCAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(C(=O)CN3CCCC3)[C@@H]2CN1 2037984695 KQRVYMMDYDYSMU-GPMSIDNRSA-N 361.417 0.731 0 40 FCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2nc3nc(C)cc(C)n3n2)C1 717368 IGMCCPGLKSRAJU-LBPRGKRZSA-N 367.431 0.705 0 40 FCAB CC(C)N(CCO)C(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4374446 ODGHVILATYQMLJ-ZDUSSCGKSA-N 363.414 0.975 0 40 FCAB O=C1Nc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)[C@@]1(O)C(F)(F)F 5322994 HNTQNNMAPTWKOD-AWEZNQCLSA-N 355.272 0.481 0 40 FCAB COCCNC(=O)Cn1c(=O)c2c3c(sc2n(C)c1=O)CCCC3 6759768 PIBPOFWPEZBLTD-UHFFFAOYSA-N 351.428 0.403 0 40 FCAB COCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCOC[C@@H]32)C1=O 8997455 GCRWUKWTPOCZEL-RDTXWAMCSA-N 359.382 0.159 0 40 FCAB Cc1cc(NC(=O)C(=O)NC[C@H]2CCCO2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9038823 MNFBRDRQDPRNME-GFCCVEGCSA-N 374.401 0.115 0 40 FCAB Nc1nccnc1C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 9114256 WSSBIQQVDWJSGU-UHFFFAOYSA-N 359.361 0.704 0 40 FCAB C[C@@H]1Oc2ccc(NC(=O)Cn3cnc4c(cnn4C)c3=O)cc2NC1=O 12923267 HELZWVVGMBFHMY-VIFPVBQESA-N 368.353 0.488 0 40 FCAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCn2ccnc2)cc1 16187831 OJNNDBJDSROUNC-UHFFFAOYSA-N 366.443 0.719 0 40 FCAB CN(CC(=O)NCc1ccco1)C(=O)c1nn(C)c(=O)c2ccccc12 32988635 GCYTUTYWPLHQJO-UHFFFAOYSA-N 354.366 0.915 0 40 FCAB O=C(Cn1cnnn1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 33636751 HZKWMILNAXFHMK-XYOKQWHBSA-N 358.383 0.526 0 40 FCAB Cc1nc(NC(=O)Cn2nnc3ccccc3c2=O)sc1C(=O)N(C)C 38679968 NKLLZOAYIBLCKZ-UHFFFAOYSA-N 372.410 0.897 0 40 FCAB COC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 44193217 AXLAREVHWGXICT-UHFFFAOYSA-N 354.428 0.962 0 40 FCAB O=C(NCCN1CCN(c2ccccc2F)CC1)C(=O)Nc1ccon1 56997979 BKVOBAYHJFUMGQ-UHFFFAOYSA-N 361.377 0.691 0 40 FCAB C[C@H](CN(C)c1ccccc1)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 58202889 PCUPSTQKTCJZDM-GFCCVEGCSA-N 350.444 0.927 0 40 FCAB COc1cnc(C2(O)CCN(C(=O)c3cnn(C)c3C)CC2)c(OC)n1 72342907 YCXPFNZACLDEIG-UHFFFAOYSA-N 361.402 0.660 0 40 FCAB C[C@H]1CN(C(=O)[C@H]2CC(=O)C[C@H]2C(=O)N2C[C@H](C)O[C@H](C)C2)C[C@@H](C)O1 79067163 UDVAUNWCGZOSKK-MVCJAWRNSA-N 366.458 0.853 0 40 FCAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCOCC2)C1 89522979 STHUPEZFOUEPFU-ZDUSSCGKSA-N 370.475 0.722 0 40 FCAB COC(=O)c1cccc(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)n1 89591798 WRQYFVDXYYPRBY-LBPRGKRZSA-N 357.370 0.445 0 40 FCAB Cc1ccc(NC(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 95385644 UKCPFFVAMDUTAU-AWEZNQCLSA-N 369.462 0.877 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 96000443 YTXBRSZQZDSVHR-CQSZACIVSA-N 373.500 0.650 0 40 FCAB Cc1cnc(C(=O)N2CC[C@]3(COCc4cnc(N(C)C)nc43)C2)cn1 96243992 RPGVDKCAXAHULK-GOSISDBHSA-N 354.414 0.955 0 40 FCAB COC(=O)C1=C(C(=O)OC)[C@H]2C=C[C@H]1[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]21 102911968 PZQQPXJMBSEPSV-YRWVIOBZSA-N 364.350 0.554 0 40 FCAB CCN1C(=O)[C@@H]2[C@H](c3ccc(O)c(OC)c3)N[C@](C)(C(=O)OC)[C@@H]2C1=O 229994373 OAKOMGPFBPBMBT-NUXNZHGMSA-N 362.382 0.598 0 40 FCAB O=C(O)CCCC(=O)NC[C@]1(O)CCN(c2ccnc3ccncc23)C1 257206939 BFOCTVMRNYBNMV-GOSISDBHSA-N 358.398 0.942 0 40 FCAB CC(=O)N1[C@@H]2CN(C(=O)c3cc(=O)n(C)c(=O)n3C)[C@@H]3CCC[C@H]1[C@]3(C)C2 257222179 DSGWVVLTCVLQIC-OUFKLWKOSA-N 374.441 0.088 0 40 FCAB O=C(O)CCCC(=O)NC[C@@]1(O)CCN(c2ccnc3cccnc23)C1 257309675 UBXFJASSDZFMMR-SFHVURJKSA-N 358.398 0.942 0 40 FCAB CC(C)Cn1nc2n(c(=O)c1=O)C[C@@]1(CCN(Cc3ccco3)C1)OC2 306128383 GZAKSOSXHQWCLC-SFHVURJKSA-N 360.414 0.829 0 40 FCAB Cn1cccc1C(=O)N1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1 306133959 NAGGNTROCDAPPG-KGLIPLIRSA-N 369.425 0.413 0 40 FCAB O=C(c1cc(N2CCOCC2)ccn1)N1CCC[C@@H](N2CCNC2=O)C1 527384817 DKUWSSYGCXZUKM-OAHLLOKOSA-N 359.430 0.548 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)c3c(C)noc3C)C[C@H]21 585110190 VNQTUYKVMJNWIA-RYUDHWBXSA-N 359.386 0.289 0 40 FCAB O=C(CC1CC1)NCc1cnc2n1CCN(C(=O)c1csnn1)CC2 585110636 QIVAGUYQBMQMFY-UHFFFAOYSA-N 360.443 0.849 0 40 FCAB CCN(C)C(=O)c1cccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)c1 667093932 HKKASEFRGMWIKP-KBPBESRZSA-N 369.443 0.712 0 40 FCAB Cc1nc(N2CC(CN(C)S(=O)(=O)C3CC3)C2)c2cnn(C)c2n1 1888859990 JEVOJWRSNURSJR-UHFFFAOYSA-N 350.448 0.532 0 40 FCAB O=C(NCCO)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 4518893 YPMORISUHMZJRQ-CQSZACIVSA-N 366.395 0.019 0 40 FCAB CCOC(=O)CNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 5424268 PQVCPNBJJUTXJQ-OAHLLOKOSA-N 374.397 0.927 0 40 FCAB COc1cc(C(=O)NCC(=O)NC(C)(C)C)cc(OC)c1OCC(N)=O 12888513 IYKNGOQEJAJWSY-UHFFFAOYSA-N 367.402 0.212 0 40 FCAB CCS(=O)(=O)N1CCC(c2ncc3c(n2)CCN(C(C)=O)C3)CC1 19520290 COZXECYVMPOTMY-UHFFFAOYSA-N 352.460 0.910 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCCC3)nc2)CC1 31316267 NLJXSGJPPPHXOF-UHFFFAOYSA-N 366.487 0.970 0 40 FCAB COc1nn(C)cc1C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 44227094 BEZWWKVBHUYQCZ-UHFFFAOYSA-N 367.450 0.711 0 40 FCAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NC[C@@H]1CCCO1 44893004 HYDGQJXBDVHACM-ZDUSSCGKSA-N 357.370 0.328 0 40 FCAB Cn1nc(C(=O)NC[C@H]2CCCO2)cc1OCC(=O)N1CCCCC1 57355354 BUYPKBJDXGLZTP-CYBMUJFWSA-N 350.419 0.720 0 40 FCAB O=C(CN1CSCC1=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 69329299 UOJMLZLTTZWVHE-OAHLLOKOSA-N 367.446 0.848 0 40 FCAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(C)[C@@H]3CO)cc2)n(C)n1 72321471 XAFHOLKHHRVKTN-NVXWUHKLSA-N 358.398 0.871 0 40 FCAB biogenic,in-vitro CCc1nc(CN2CCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)no1 81162288 QGTOEDURFMFJLQ-OAHLLOKOSA-N 373.461 0.679 0 40 FCAB Cc1cc(C)n(-c2cc(NC(=O)CCn3ccc(=O)[nH]c3=O)ncn2)n1 96119966 BVRWVBUKJWUVKR-UHFFFAOYSA-N 355.358 0.158 0 40 FCAB Cc1ccc2nc3c(cc(C(=O)N[C@@H]4CCS(=O)(=O)C4)n3C)c(=O)n2c1 96347389 SWSQPYDWYWSKPZ-LLVKDONJSA-N 374.422 0.412 0 40 FCAB CN(C)c1cc(CNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccn1 103144133 XKFUMFZPOSUHGV-MGBSGCIJSA-N 354.410 0.571 0 40 FCAB O=C1NCCN1C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 225620849 GDCYVZNYABKIID-UHFFFAOYSA-N 367.431 0.217 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)N1CCC(N2C(=O)CNC2=O)CC1 244933142 CDEMJCAAJXPLAD-UHFFFAOYSA-N 371.390 0.539 0 40 FCAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 257244827 IMZXTPYUSRNZLD-ZDUSSCGKSA-N 354.476 0.690 0 40 FCAB CN1CCN(C[C@@]2(O)CCN(C(=O)c3cnc(O)c(Cl)c3)C2)CC1 257267826 MIXOZSHZVJRTCI-INIZCTEOSA-N 354.838 0.265 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccn(Cc2ccccc2F)c1=O 257278335 OBVSDXQSKNSSQK-ZDUSSCGKSA-N 364.398 0.953 0 40 FCAB O=C(C1=CCCC1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 585103199 MWKVGBIWAWLENR-CQSZACIVSA-N 363.439 0.981 0 40 FCAB COc1ccccc1CNC(=O)C(=O)NC[C@]1(OCCO)CCSC1 1565519727 NEENIWVORGHTJI-QGZVFWFLSA-N 368.455 0.312 0 40 FCAB COCCn1cnc2c(N3CCN(c4ncc(C)cn4)CC3)ncnc21 1888897152 QZCUHIQFBXQSTE-UHFFFAOYSA-N 354.418 0.898 0 40 FCAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)c2ncccn2)CC1 2055745834 GGYMYGQMMZWCDG-UHFFFAOYSA-N 357.418 0.385 0 40 FCAB COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(OC)cc1 1822455 VNPVXTFCLBXGMD-UHFFFAOYSA-N 373.413 0.549 0 40 FCAB biogenic NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(O)c2)cc1 3413097 CUGOCVUKUAIZDX-UHFFFAOYSA-N 350.352 0.835 0 40 FCAB Cc1cc(C)n(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(=O)n1 5606010 HUOZDPSQBBEEKX-UHFFFAOYSA-N 364.427 0.749 0 40 FCAB O=C1NC2(CCCCC2)C(=O)N1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 12999829 QOBSZZIZRDJDEH-CYBMUJFWSA-N 355.460 0.850 0 40 FCAB CN(C)Cc1cc([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)nn1C 19709018 KMAIMDKPEBXUOM-AWEZNQCLSA-N 371.507 0.238 0 40 FCAB O=C(NCCN1CCOCC1)C(=O)Nc1ccccc1C(=O)N1CCCC1 20621761 VBWCIMXRIOVRHF-UHFFFAOYSA-N 374.441 0.310 0 40 FCAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC(C)(C)N2CCOCC2)c1 22019237 VHHWGQBOLMDAEV-UHFFFAOYSA-N 369.487 0.778 0 40 FCAB O=C(CCN1C(=O)CSc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 32784446 KLQSLULYESBQBX-LLVKDONJSA-N 354.453 0.819 0 40 FCAB Cn1nc(C(=O)NCc2ccccc2)cc1OCC(=O)N1CCOCC1 57280211 WYMSRJNMERTRGM-UHFFFAOYSA-N 358.398 0.588 0 40 FCAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 58135869 PBEUSJQHCOJGFA-GFCCVEGCSA-N 370.452 0.910 0 40 FCAB O=C(c1cnn2ccccc12)N1CCN(S(=O)(=O)c2cccnc2)CC1 77101309 WSKQJEGUJKUTIO-UHFFFAOYSA-N 371.422 0.876 0 40 FCAB C[C@H](CN1CCOCC1)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 96005204 KGFOSDYZPUXUEB-CYBMUJFWSA-N 359.492 0.028 0 40 FCAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(S(C)(=O)=O)CC2)O1 96263076 XUDJYRDCSKFLCK-ZDUSSCGKSA-N 370.475 0.305 0 40 FCAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 101712376 LCARHFBRMFETSR-XUXIUFHCSA-N 365.455 0.480 0 40 FCAB O=S(=O)(NCC[C@H]1CCOC12CN(c1ncc(F)cn1)C2)C1CC1 247327938 NYCPNLFIKIOKIH-NSHDSACASA-N 356.423 0.683 0 40 FCAB Cc1nccc(C(=O)N2CC[C@@](C)(O)[C@H](n3cc(C)c(O)nc3=O)C2)n1 257211251 BYCYTASLDSPMRL-CXAGYDPISA-N 359.386 0.194 0 40 FCAB COc1ccc(S(=O)(=O)N(C)CCN2CCCC2=O)cc1NC(C)=O 602895347 FFYBEIPACFIMHY-UHFFFAOYSA-N 369.443 0.897 0 40 FCAB Cn1ccc(C(=O)NCC2(CNC(=O)c3ccn(C)n3)CCOCC2)n1 614859745 CJABXGCTJUPORQ-UHFFFAOYSA-N 360.418 0.110 0 40 FCAB O=S(=O)(NCCN1CCCS1(=O)=O)c1ccc(Cl)c(F)c1 651542003 QYCYNYRFONFUIV-UHFFFAOYSA-N 356.828 0.793 0 40 FCAB CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(c2ccncc2Cl)CCO1 662891685 OZLJGFCCVDGLQS-JTQLQIEISA-N 363.823 0.286 0 40 FCAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)CCS(C)(=O)=O)CC2 1142529458 SPZMGAYUWFOZAN-AWEZNQCLSA-N 374.503 0.545 0 40 FCAB Cn1cc(-c2ccnc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 1274890241 SBYQLIAJAPGGLA-NSHDSACASA-N 364.431 0.487 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 1565556352 DUSQDXAHZPZGMA-LSDHHAIUSA-N 356.444 0.374 0 40 FCAB Cc1nc(N2CCN(c3cc(=O)n(C)c(O)n3)CC2)cc(-n2cccn2)n1 1889139232 JJIWWHULWNBDJC-UHFFFAOYSA-N 368.401 0.097 0 40 FCAB CCOC(=O)CCCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 2570363 PFKUHFJOJGISPF-UHFFFAOYSA-N 373.207 0.540 0 40 FCAB CC(C)C[C@H](NC(N)=O)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3354060 AGSIZGHWOIEEFQ-LBPRGKRZSA-N 365.386 0.658 0 40 FCAB CCOc1ccc(NC(=O)Cn2nnc(C(=O)OC)c2C(=O)OC)cc1 4969598 ALMPAIHFUAGUKF-UHFFFAOYSA-N 362.342 0.889 0 40 FCAB O=C(NCc1cccnc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 8254147 FOGIODWSAMEWMU-JQHSSLGASA-N 370.457 0.235 0 40 FCAB biogenic,in-vitro CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)NC(N)=O 11317155 LSCKZDPWZWEYLH-LBPRGKRZSA-N 357.313 0.457 0 40 FCAB CN1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2Cn2c(nc4ccccc4c2=O)C3)CC1=O 12086293 LPBVNVJFJJAPOK-MELADBBJSA-N 366.421 0.791 0 40 FCAB O=C(Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN12)N1CCCC1 12184205 NCOATONQLYRAMN-UHFFFAOYSA-N 372.816 0.890 0 40 FCAB COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2SC1(C)C 12479117 JYVSRPXYJNDSQP-VNHYZAJKSA-N 364.423 0.786 0 40 FCAB Cn1c(=O)c2cc(C(=O)N3CCc4ccccc4C3)cnc2n(C)c1=O 12818377 HRQGZUNNECBGGK-UHFFFAOYSA-N 350.378 0.831 0 40 FCAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 13582127 OTIDPPQOMRKYNG-UHFFFAOYSA-N 374.378 0.976 0 40 FCAB COc1ccc(CCC(=O)NCc2cc(=O)n(C)c(=O)n2C)cc1OC 13629853 YWUSXRMWLWSGDS-UHFFFAOYSA-N 361.398 0.350 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(Cc2ccc(Cl)cc2)CC1 14140086 UPNZLYSWGZSDRB-UHFFFAOYSA-N 362.817 0.534 0 40 FCAB COc1ccc(S(=O)(=O)NC2CCN(C(C)=O)CC2)cc1NC(C)=O 14806118 RYOZRSQVHXIORJ-UHFFFAOYSA-N 369.443 0.943 0 40 FCAB Cc1cc(C(=O)NCCc2c(C)nn(C)c2C)c2c(=O)[nH]c(=O)n(C)c2n1 19716363 PYSGOEXFOHAJMN-UHFFFAOYSA-N 370.413 0.253 0 40 FCAB NC(=O)[C@@H]1CC(C(=O)NCc2nnc3ccccn23)=NN1c1ccccc1 32770849 FQYBPBVFUCXKRN-AWEZNQCLSA-N 363.381 0.466 0 40 FCAB CC(C)c1cccc(NC(=O)Cn2c(=O)c(N(C)C)c(N)n(C)c2=O)c1 32858350 KOHOZEFVTDPCFP-UHFFFAOYSA-N 359.430 0.957 0 40 FCAB C[C@@H]1NC(C(=O)N2CCC(C(=O)N(C)C)CC2)=NN(c2ccccc2)C1=O 45017895 BXFSOAUCBBTPAP-ZDUSSCGKSA-N 371.441 0.652 0 40 FCAB O=C(c1nc(N2CCOCC2)ncc1Br)N1CCOCC1 72243016 MFVLUJQSWNNZKM-UHFFFAOYSA-N 357.208 0.548 0 40 FCAB Cc1ccccc1-n1nc(C(=O)N2C[C@H](O)C[C@@H]2C(N)=O)c2c1CCC2 89700323 CPNGESOOSAYPTI-MLGOLLRUSA-N 354.410 0.730 0 40 FCAB COc1cc(Br)c(S(=O)(=O)NC2CNC2)cc1OC 90289317 GUVCJHZLUNWPJC-UHFFFAOYSA-N 351.222 0.716 0 40 FCAB Cc1occc1C(=O)N1CCCn2c(nc(Cn3cncn3)cc2=O)C1 96197594 DDKDRYWMYYLVSQ-UHFFFAOYSA-N 354.370 0.831 0 40 FCAB CN(C)CCNC(=O)CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O 96223581 UUJCPFVAXMJZKZ-AWEZNQCLSA-N 350.394 0.704 0 40 FCAB O=C(O)c1[nH]c(=O)n(CCc2ccccc2)c(=O)c1CN1CCOCC1 222655661 FUMGIDSWKNQZCJ-UHFFFAOYSA-N 359.382 0.310 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)Cc3ccccn3)C2)CN1CC1CC1 247982753 YCTIJFSFMWQLOT-MRXNPFEDSA-N 358.442 0.062 0 40 FCAB CN(C)C(=O)[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CCN1C 257216487 CUSHSAMEZZUHIK-KRWDZBQOSA-N 359.470 0.966 0 40 FCAB CNC(=O)[C@H]1CNCCN1C(=O)CCn1c(=O)oc2cc(Cl)ccc21 257276773 NVARPVSPFLBUJQ-GFCCVEGCSA-N 366.805 0.184 0 40 FCAB COc1cc(N2Cc3cncn3[C@@H](C(=O)NCc3cccnc3)C2)ncn1 306130574 JJXGSQBZQAHXMY-OAHLLOKOSA-N 365.397 0.954 0 40 FCAB O=S1(=O)CC[C@@H](N(CCO)S(=O)(=O)c2cccc3cccnc23)C1 575425901 IQRKFVVCCGPNCY-CYBMUJFWSA-N 370.452 0.405 0 40 FCAB COC(=O)[C@H]1C[C@H](O)CN(C(=O)NCc2ccccc2Cn2ccnc2)C1 591903977 WBHPOCMRBIKGAC-IRXDYDNUSA-N 372.425 0.997 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1C(=O)Cc1ccc(-n2cnnc2)cc1 643946214 ZQNHXGKGNBTMBR-SFHVURJKSA-N 357.414 0.563 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1C(=O)Cn1c(=O)cnc2ccccc21 643953412 RLXQKZXHHPECHG-GOSISDBHSA-N 358.398 0.150 0 40 FCAB O=C(CC1(O)CCC1)N1CC[C@@]2(C[C@H](NS(=O)(=O)C3CC3)CCO2)C1 1565554466 RWJKCNPGQQHZSQ-CXAGYDPISA-N 372.487 0.523 0 40 FCAB NS(=O)(=O)c1ccc(NCC(=O)N[C@H]2CCc3c[nH]nc3C2)c(F)c1 1636298340 LOOOJHZFKYSXAL-JTQLQIEISA-N 367.406 0.282 0 40 FCAB COc1nc(N2CC(C(=O)N3CCOCC3)C2)ncc1Br 2298045046 FFZJQGMFFRENEB-UHFFFAOYSA-N 357.208 0.543 0 40 FCAB CCOC(=O)c1cc(C(=O)OCC)c(=O)n(NC(=O)c2cccnc2)c1N 2557513 NRFMVICTDIMTTN-UHFFFAOYSA-N 374.353 0.563 0 40 FCAB COCCNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 5442222 GIOAFKBKPYVUQI-UHFFFAOYSA-N 355.416 0.100 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)Cc2ccc(Cl)cc2)c(=O)n(C)c1=O 6452523 LHBWMVCQDXHUGT-UHFFFAOYSA-N 365.773 0.288 0 40 FCAB COCCCN(C(=O)CSC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9725454 XHWXQENJMPUGRL-UHFFFAOYSA-N 358.464 0.507 0 40 FCAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC[C@H](C(=O)O)NC2=O)cc1 13636854 UCYMAOWEWYCWLJ-NEPJUHHUSA-N 366.395 0.877 0 40 FCAB O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccncc1 20733833 GLAVWFRKPCGTPF-UHFFFAOYSA-N 351.366 0.868 0 40 FCAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](NS(C)(=O)=O)C2)C1 34887429 OKAPYBUTZSRMQR-XQQFMLRXSA-N 353.510 0.223 0 40 FCAB C[C@@]1(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CC1(Cl)Cl 36390966 JMQWZAMWRFCIEY-KWQFWETISA-N 357.259 0.380 0 40 FCAB Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)on1 36398235 VDRFOHRUFDBSMH-UHFFFAOYSA-N 356.448 0.718 0 40 FCAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 42533250 VZCLFSQBBTUWAT-LLVKDONJSA-N 356.473 0.855 0 40 FCAB COc1cc(CCC(=O)N[C@H](C)C(=O)N2CCOCC2)cc(OC)c1 58227023 CTOHOFNBBSBLLX-CYBMUJFWSA-N 350.415 1.000 0 40 FCAB CN(C)CC(=O)N1CCCC[C@@H]1c1ccc2c(=O)n(C)c(=O)n(C)c2n1 72374612 YVILLMZDOUSCMX-CQSZACIVSA-N 359.430 0.247 0 40 FCAB CN(C)c1cc(NC[C@@H]2CC[C@]3(COCCN(C(N)=O)C3)O2)ncn1 96063526 IHSOYUCGVKFNMZ-LRDDRELGSA-N 350.423 0.283 0 40 FCAB O=C(NCCn1cccc1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124187 OJRRZDKTUJGQJN-UHFFFAOYSA-N 366.429 0.892 0 40 FCAB CN1CCN(c2ccc3ccc(C(=O)NCCN4CCOCC4)cn23)CC1 96155884 AUUPWZYVRHJMDA-UHFFFAOYSA-N 371.485 0.753 0 40 FCAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]12 100054147 OWLWVHQPNQOEEB-UWVGGRQHSA-N 366.171 0.829 0 40 FCAB COc1cc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c(C(C)=O)cc1OC 223284097 LCZBERVOWSCOIU-UHFFFAOYSA-N 369.355 0.084 0 40 FCAB Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)no1 238952821 XHLPWTTUVUASHC-UHFFFAOYSA-N 367.431 0.562 0 40 FCAB Cc1cc(C)n(CC(=O)N2CCN(CCc3ccccc3)[C@H](C(N)=O)C2)n1 257228777 FVECRJOFOHZMIQ-SFHVURJKSA-N 369.469 0.741 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257231447 GGSDBQBITOHLHX-GFCCVEGCSA-N 350.448 0.928 0 40 FCAB CC(C)CC(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 306131448 KESOJTPGONOJGB-CYBMUJFWSA-N 353.444 0.917 0 40 FCAB CCS(=O)(=O)NC[C@H]1CN(Cc2cccnc2OC)Cc2ccnn21 306136914 QGSFNWCUSXSVJK-HNNXBMFYSA-N 365.459 0.783 0 40 FCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccnc3)C(=O)[C@H]12 409295570 FDHHPHOLFVPXCW-ZXTQRBJTSA-N 372.333 0.347 0 40 FCAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2nnc(C3CC3)s2)c1 565753762 VJLRXVBKXHLQJT-UHFFFAOYSA-N 360.442 0.864 0 40 FCAB CN1CC2(CN(C(=O)c3cnccn3)C2)OC[C@@H]1C(=O)NC1CCCC1 575402691 ANDNTYIXLDZRSH-OAHLLOKOSA-N 359.430 0.061 0 40 FCAB CCCn1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 583622966 NVICDLYUNFWFHV-GJZGRUSLSA-N 350.446 0.861 0 40 FCAB NC(=O)C[C@@H]1CCN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 585084686 TVEHDPXZDBHAQJ-AWEZNQCLSA-N 367.471 0.405 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3O[C@H](C(=O)NCc4ccccn4)CC[C@H]32)n1 585108661 RXDRAFWVLMYFDR-KFWWJZLASA-N 370.413 0.289 0 40 FCAB Cc1ncn(CC(=O)NCc2cccnc2-c2cnn(C)c2)c(=O)c1C 585406150 FIVJUOZNUTZFCE-UHFFFAOYSA-N 352.398 0.972 0 40 FCAB COc1nc(N2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)ncc1Br 621337046 JREUDVCQOJIQRK-OIBJUYFYSA-N 355.196 0.985 0 40 FCAB CCc1cc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)n(C)n1 635352043 CCXNRATXFFFCBE-UHFFFAOYSA-N 369.425 0.485 0 40 FCAB Cn1cc(CN2CCC[C@@]3(CC2)Cc2c(n(C)c(=O)n(C)c2=O)O3)cn1 643914672 VSTDOPPGKMITEA-GOSISDBHSA-N 359.430 0.177 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CC2)CN(Cc2nccs2)CCO3)n1 1565548630 GRZKNUQTZROTDA-UHFFFAOYSA-N 362.459 0.779 0 40 FCAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3nncn3C)CC2)n1 2087126080 FLVMUAYIESEWFN-UHFFFAOYSA-N 358.450 0.072 0 40 FCAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NC[C@H]1CCCO1 4165749 FFRBKNPYTSTQMO-CQSZACIVSA-N 353.382 0.877 0 40 FCAB Nc1ccccc1NC(=O)c1nc2ccccc2nc1[C@H](O)[C@@H](O)CO 4748196 SFSYCEFNBLAIPE-WMLDXEAASA-N 354.366 0.851 0 40 FCAB COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc2c(c1)OCO2 4855324 UDSNDUKMXRWEOS-CYBMUJFWSA-N 373.317 0.728 0 40 FCAB biogenic C[C@H](OC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Nc1ccc(F)c(F)c1F 7666696 GDXSDIJJKFKAJZ-ZETCQYMHSA-N 371.271 0.524 0 40 FCAB COC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 9063849 REOYWISQOZIUDH-LBPRGKRZSA-N 372.443 0.481 0 40 FCAB CC(=O)c1ccc(NC(=O)C[C@H]2N=C(N3CCN(C)CC3)NC2=O)cc1 13726316 ZOALDRCTDNKKHC-OAHLLOKOSA-N 357.414 0.320 0 40 FCAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1=COCCO1 14120275 PZEMSIAERPZMEL-UHFFFAOYSA-N 374.440 0.273 0 40 FCAB C[C@@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H](C)O1 14187338 SFIRJRGREWNPFV-VXGBXAGGSA-N 353.444 0.332 0 40 FCAB CCOC(=O)C1=C(COC(=O)CCn2c(C)csc2=O)NC(=O)NC1 18338463 BGMLBQLWPDOFBF-UHFFFAOYSA-N 369.399 0.282 0 40 FCAB O=C(NCc1cc(=O)[nH]c(N2CCOCC2)n1)c1cc(C(F)(F)F)[nH]n1 19291982 JHHYSMCHIIOXSX-UHFFFAOYSA-N 372.307 0.278 0 40 FCAB CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(F)cc1 19526138 JLJHQAIAXDGWPH-UHFFFAOYSA-N 373.450 0.285 0 40 FCAB COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CCN(C)C)[C@H]2O)cc1 20463934 NHJDBJAJZSDISR-IEWDOMPSSA-N 365.474 0.131 0 40 FCAB biogenic,in-vitro COc1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)c1O 21828382 LGLUBOZEMXAITO-NSHDSACASA-N 350.371 0.637 0 40 FCAB COc1ccc(Br)c(C(=O)NCCNS(C)(=O)=O)c1 29678443 WJRFQUZUCUBUDM-UHFFFAOYSA-N 351.222 0.737 0 40 FCAB COc1cc(OC)nc(NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)n1 34870176 AOFPLKBJKAIKSI-ZDUSSCGKSA-N 371.397 0.345 0 40 FCAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 40158393 MKAQZDVBAALQEB-VIFPVBQESA-N 366.436 0.422 0 40 FCAB Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)[nH]n1 54150543 ALJMOXVQKNCLMG-UHFFFAOYSA-N 370.456 0.731 0 40 FCAB CCOCCS(=O)(=O)NCC(=O)OCc1cc(C)c(C(=O)OC)o1 79100868 JKQWQWTZZTXFPX-UHFFFAOYSA-N 363.388 0.374 0 40 FCAB O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 85469164 HLTHMYHYLYNXAR-FMVNMVDZSA-N 352.818 0.941 0 40 FCAB CN1CCS(=O)(=O)[C@@H]2CCN(S(=O)(=O)c3ccccc3)CC[C@@H]21 96251511 WQDJDYNJOJZBOP-LSDHHAIUSA-N 358.485 0.569 0 40 FCAB CCn1nc(C)c(CNc2c(N3CCN(C(C)=O)CC3)c(=O)c2=O)c1C 101703254 CTEZXUQUPYZPTQ-UHFFFAOYSA-N 359.430 0.396 0 40 FCAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@@H](Oc2cccnn2)C1 225417601 XPMMLQXKQIBXOL-DZGCQCFKSA-N 360.414 0.484 0 40 FCAB O=C1CCC(C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)=NN1 225779288 KFMUPCDAHVOGRK-UHFFFAOYSA-N 359.773 0.499 0 40 FCAB Cc1nccn1CC(=O)N1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257229608 FYSZUFIIWALDCY-LBPRGKRZSA-N 351.432 0.724 0 40 FCAB O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)C3(F)CC3)C[C@@H]21 585109929 OUXWUZHNODGJAY-LBPRGKRZSA-N 362.409 0.261 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)Cc3ccc(C)cc3)C[C@H]21 585110066 DKVBCVPHKUTKSF-CVEARBPZSA-N 368.437 0.922 0 40 FCAB CNC(=O)CC[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 585278706 RCQWWMRUNWSAGB-INIZCTEOSA-N 356.444 0.737 0 40 FCAB O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCCN2CCCCC2)C1 643550434 HSXYVUXIRRFZDC-AZUAARDMSA-N 361.486 0.700 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(Cc3ccnn3-c3ccncc3)C2)C1 685940981 MRVGDYOVBBGODB-ZDUSSCGKSA-N 354.414 0.046 0 40 FCAB Nc1ccc2sc(C(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)cc2c1 1122339178 YPQBVOPHHYEALQ-NSHDSACASA-N 352.441 0.458 0 40 FCAB O=C(CCc1cncnc1)N1CCOC[C@@]2(C[C@H](Cn3ccnc3)CO2)C1 1565546920 GZQQZDNFPMIRBX-IEBWSBKVSA-N 371.441 0.940 0 40 FCAB CNC(=O)NC[C@H]1CCC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CO1 1565553846 FCHLONJLARMFAL-KBXIAJHMSA-N 351.447 0.596 0 40 FCAB CC(C)NC(=O)[C@H]1CN(C(=O)CCc2cncnc2)Cc2ncnn2C1 1614927426 RDFPGHDEBJEBKC-AWEZNQCLSA-N 357.418 0.184 0 40 FCAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)Cc2ccccn2)CC1 2055772582 YRTAHVXGXNOXFL-UHFFFAOYSA-N 370.457 0.919 0 40 FCAB CCCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1 3908776 OCNJUYFAODPYGS-AWEZNQCLSA-N 369.443 0.066 0 40 FCAB O=C(CSc1nc2[nH]ncc2c(=O)[nH]1)NCc1ccc2c(c1)OCO2 4249658 OYZZPNYUZJNALA-UHFFFAOYSA-N 359.367 0.783 0 40 FCAB CC1(C)C(=O)NC(=S)N2C(=O)C[C@@H](C(=O)Nc3ccccc3F)N21 4992832 NSYKTDSPBGRDLU-JTQLQIEISA-N 350.375 0.775 0 40 FCAB COC(=O)c1ccc(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(OC)c1 7393142 VEYJWVGUPKQBGX-LBPRGKRZSA-N 371.411 0.506 0 40 FCAB O=C1c2ccccc2S(=O)(=O)N1CCn1nc(-c2ccco2)oc1=O 8749278 JEWWYBRCRQFTSZ-UHFFFAOYSA-N 361.335 0.941 0 40 FCAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8814407 UXRSYQUUOQUDGX-SSDOTTSWSA-N 368.444 0.408 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 8883856 AOXYNMPVZRIVLM-UHFFFAOYSA-N 365.463 0.371 0 40 FCAB CC(=O)c1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 10044399 BQMHZVGSTJTFCR-UHFFFAOYSA-N 360.457 0.592 0 40 FCAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H](C)O1 14086585 VBPIYEUEEDFPAO-OKILXGFUSA-N 368.455 0.957 0 40 FCAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1OC 20017059 QJUVPCGYNWEZQJ-CYBMUJFWSA-N 356.444 0.992 0 40 FCAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccon2)c2cccn2C)CC1 21156743 FIXUZXPOTCCAHN-AWEZNQCLSA-N 360.418 0.057 0 40 FCAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC4(CC3)OCCO4)ccc21 24995866 ULQSIVRWYZBUGA-UHFFFAOYSA-N 359.382 0.689 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccc(-n2cccn2)cc1 40106969 TXUOCSQAJHCGTC-UHFFFAOYSA-N 353.382 0.806 0 40 FCAB Cn1cnnc1[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)C1 48366487 PTRQFWZSSAVRCQ-CVEARBPZSA-N 366.429 0.992 0 40 FCAB CC[C@@H](C)NC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520465 QMILBNCZILLDNB-SNVBAGLBSA-N 365.459 0.672 0 40 FCAB COc1ccc(NCC(=O)N(C)C)cc1S(=O)(=O)N1CCOCC1 58031371 BHKYARVQSBHJGL-UHFFFAOYSA-N 357.432 0.216 0 40 FCAB C[C@H](Sc1ccccn1)C(=O)NCCS(=O)(=O)N1CCOCC1 75109303 JTGSWASADFBQJG-LBPRGKRZSA-N 359.473 0.340 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)c2cnccn2)C[C@]2(CC(=O)N(C)C2)C1 96036070 MXKPQIPEKPWWRD-SFHVURJKSA-N 359.430 0.266 0 40 FCAB Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(CNS(=O)(=O)C2CC2)C1 96108383 NRGNACLRNZQRSM-CJNGLKHVSA-N 355.460 0.822 0 40 FCAB O=C(NCc1cccnc1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124157 PJWWOIKKOJMLMP-UHFFFAOYSA-N 364.413 0.985 0 40 FCAB O=C(c1ccoc1)N1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1 96160722 FKVMXOFFTGXJNQ-QAPCUYQASA-N 359.382 0.927 0 40 FCAB COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)N(C)CCO 227150926 IEXWTMJUQNSYAJ-UHFFFAOYSA-N 356.444 0.934 0 40 FCAB COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3c(c1)OCO3)C2 247877738 OUCVBVXGRHUKPY-LBPRGKRZSA-N 353.396 0.691 0 40 FCAB NC(=O)[C@H]1CNCCN1C(=O)Cn1c(C(F)(F)F)nc2ccccc21 257247685 JABAMXJTZYSMRC-LLVKDONJSA-N 355.320 0.341 0 40 FCAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1cnccn1 257307492 SYWFSEXVTJWVNO-QGZVFWFLSA-N 353.426 0.592 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(Cc3cccnc3OC)C[C@H]21 306140292 UPABOSOATSDCAJ-OCCSQVGLSA-N 357.414 0.448 0 40 FCAB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)no1 408654286 GDMZNOPLIHLHET-UQXKVLDMSA-N 373.365 0.660 0 40 FCAB CN(C)CCN1CC[C@@]2(CCCN(C(=O)Cn3ccccc3=O)C2)C1=O 585101047 ZHTIKMIROQAGJG-LJQANCHMSA-N 360.458 0.251 0 40 FCAB CC(=O)N1CCOC[C@](O)(CC(=O)NCCCn2nc(C)cc2C)C1 585281096 SYKHXHNPNIACJT-KRWDZBQOSA-N 352.435 0.006 0 40 FCAB CN1CCN([C@H]2CCN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)C2)CC1 1549998555 ZRMQUTSBKZSIMG-DLBZAZTESA-N 359.474 0.114 0 40 FCAB Cc1cnn(CCN2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1 2086882990 NFMKURRFGLFBSG-UHFFFAOYSA-N 357.462 0.640 0 40 FCAB COc1cccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1O 3351684 XAAOGMLJMFLMOF-SNVBAGLBSA-N 357.384 0.203 0 40 FCAB OC[C@@H]1O[C@@H](n2cc(Br)c3c(Cl)ncnc32)[C@@H](O)[C@@H]1O 4946462 CUKHVEVYOJENQF-IZCITBFLSA-N 364.583 0.459 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 5443110 AKOBZUGGULHISJ-AAEUAGOBSA-N 363.757 0.979 0 40 FCAB C/C=C/Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3CCOC)n(C)c1=O 10387130 NYWMWLUOQSJQHN-SYTKJHMZSA-N 360.418 0.876 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(c2cnccn2)CC1 11542682 HVYHQDCOAGCADH-UHFFFAOYSA-N 350.382 0.535 0 40 FCAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCCN(C(=O)[C@H]3CCCN3)C1)O2 12122855 WMITVSGFCNIWTR-DNVCBOLYSA-N 359.426 0.931 0 40 FCAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NCc2ccco2)N(C)S(=O)(=O)N1 12131387 ROWKWYLWSISUJF-KBPBESRZSA-N 367.431 0.218 0 40 FCAB COC(=O)Cn1cc(CN2CCn3c(CO)nnc3C2)c2ccccc21 12222494 GSCZDCBEAHWUKV-UHFFFAOYSA-N 355.398 0.914 0 40 FCAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCOCC1 18952442 POGJVSMYCYIVLY-NSHDSACASA-N 354.790 0.860 0 40 FCAB CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCCOC)cc1 19820920 NVNNNSJXYGFCKZ-HUUCEWRRSA-N 361.485 0.424 0 40 FCAB COCCNC(=O)NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O 21268130 YUJSUGRAULNYGN-SNVBAGLBSA-N 366.349 0.455 0 40 FCAB CCOCC(=O)N1CCN(Cc2nnnn2-c2ccc(OCC)cc2)CC1 23134948 WFIGCPPQMMEHQU-UHFFFAOYSA-N 374.445 0.742 0 40 FCAB COc1ccc(NC(=O)[C@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 36358439 AUJDIGDCSHZZRX-JQWIXIFHSA-N 355.416 0.509 0 40 FCAB COc1ccc(CCN2CN=C(NS(=O)(=O)C(C)C)NC2)cc1OC 40387356 NZGMGDKRPLUCAZ-UHFFFAOYSA-N 370.475 0.750 0 40 FCAB O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NCCN1CCOCC1 72293071 JBBBNUAUBOQTCM-RUZDIDTESA-N 368.455 0.404 0 40 FCAB CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)CCCS(C)(=O)=O 72313970 XLOUZDVVMZSTAH-LLVKDONJSA-N 355.478 0.557 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2C1 96249831 WXKHYSULZUCEIQ-ZIAGYGMSSA-N 358.485 0.800 0 40 FCAB CN1CCS(=O)(=O)[C@@H]2CCN(C(=O)COc3ccccc3)CC[C@@H]21 96251520 WIGWQQQXFGFSOH-JKSUJKDBSA-N 352.456 0.785 0 40 FCAB NC1CCN(CC(=O)N2CCN(c3ncnc4ccsc34)CC2)CC1 97019889 UBKXNVZPXLOOCL-UHFFFAOYSA-N 360.487 0.763 0 40 FCAB Cn1cnc(S(=O)(=O)NCCNC(=O)c2ccc3ncsc3c2)c1 206632833 QRIIKXGBJAESBD-UHFFFAOYSA-N 365.440 0.738 0 40 FCAB Cc1cc(CN2CC3(C2)CN(CC2CC2)[C@H](C(=O)N(C)C)CO3)n(C)n1 247987935 KXYGFFJKJNUALR-KRWDZBQOSA-N 361.490 0.482 0 40 FCAB O=C(NC[C@]1(O)CN(Cc2cccc(F)c2)C[C@H]1O)c1cscn1 257320700 VYCSLZCURYVVOM-ZBFHGGJFSA-N 351.403 0.620 0 40 FCAB O=C(NCC1CC1)c1cn2c(nc1=O)C[C@@]1(CCN(c3ncccn3)C1)C2 306139238 SSYSYHYCXKWXQC-LJQANCHMSA-N 366.425 0.626 0 40 FCAB O=C(Cn1nc(C2CC2)ccc1=O)N1CCN(Cc2cccnc2)CC1 575619242 JBCQLFKTKXBMOK-UHFFFAOYSA-N 353.426 0.860 0 40 FCAB Cc1c(CN2Cc3ccnn3CC[C@@H]2CNS(C)(=O)=O)cnn1C 585097797 QEROXRNCHYKVGV-CQSZACIVSA-N 352.464 0.249 0 40 FCAB CN1C(=O)C(c2c(-c3ccc(O)cc3)n(C)c(=O)n2C)C(=O)N(C)C1=O 604418758 ZECCPYDTQHWEFK-UHFFFAOYSA-N 358.354 0.230 0 40 FCAB NCCn1cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)nn1 662432196 LYDDNMVPADLXKA-UHFFFAOYSA-N 357.443 0.809 0 40 FCAB Cc1nc([C@H]2COCCN2C(=O)Cn2cc(Br)cn2)no1 679452244 FXRXRRMGIIWMOF-SNVBAGLBSA-N 356.180 0.937 0 40 FCAB Cc1ccc(C[C@@]2(CO)CN(CC(=O)Nc3nonc3C)CCO2)cc1 1615083074 SAJCQSNWZSQDCB-SFHVURJKSA-N 360.414 0.931 0 40 FCAB Cn1c(N2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)nc2ccccc21 1888876059 LLUITHCNEYBMMI-KCQAQPDRSA-N 353.426 0.747 0 40 FCAB COc1cccc(NC2(C(=O)N(C)C)CCN(S(C)(=O)=O)CC2)c1 2055747467 AQEGZCQEUKESEN-UHFFFAOYSA-N 355.460 0.990 0 40 FCAB CCCNC(=O)COC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 3380711 GTNDRADXEWZPNI-SNVBAGLBSA-N 353.400 0.183 0 40 FCAB Nc1nc(SCC(=O)N2CCCC2)[nH]c(=O)c1NC(=O)c1ccco1 8670391 JZCQBYLYFIZFIP-UHFFFAOYSA-N 363.399 0.912 0 40 FCAB CC[C@@H](C)NC(=O)C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 9039798 KMIRRZQRNMPJKP-SECBINFHSA-N 358.402 0.606 0 40 FCAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(CC(=O)NC2CC2)CC1 14228218 SFDWDSVVPPFNKT-CQSZACIVSA-N 373.457 0.619 0 40 FCAB COc1cccc2c1[C@H](O)[C@]1(O)C=CC3=C(C(=O)C[C@H](C)[C@@H]3O)[C@@H]1[C@H]2O 14850588 XMXBNUIKCGPIAR-RZGSMBCTSA-N 358.390 0.959 0 40 FCAB biogenic CNC(=O)NC(=O)CSc1nnc(COc2ccccc2F)n1N 15278727 YEQSUUXKDVKAPD-UHFFFAOYSA-N 354.367 0.258 0 40 FCAB CCCNC(=O)CN1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 15401618 ZFIVIPPYPWGXBW-UHFFFAOYSA-N 367.471 0.596 0 40 FCAB C[C@@H](C(=O)N1CCc2nc(C3CCNCC3)ncc2C1)N1CCOCC1 19079489 FRHLGVUSCMITMH-AWEZNQCLSA-N 359.474 0.549 0 40 FCAB O[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[C@H]1NCCN1CCOCC1 22913531 YQYKOKMXUUVSMZ-QZTJIDSGSA-N 355.429 0.822 0 40 FCAB CN(CCOc1ccc(Br)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 23640712 SVIAXTCIIULYHV-STQMWFEESA-N 364.261 0.918 0 40 FCAB COC(=O)CNC(=O)CNS(=O)(=O)c1cccc(Cl)c1Cl 24476850 OISQKCLRZIKCMG-UHFFFAOYSA-N 355.199 0.561 0 40 FCAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1cc(F)cc(F)c1 29115548 WIQHUZMABHTPJY-UHFFFAOYSA-N 352.385 0.800 0 40 FCAB O=C(O)CNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 36357010 CCKMMOLAAMBMSF-UHFFFAOYSA-N 368.187 0.721 0 40 FCAB C[C@H](C(=O)NCCS(=O)(=O)NCc1ccc(F)cc1)n1ccnc1 53415835 FPGRSDNBJZCIMO-GFCCVEGCSA-N 354.407 0.819 0 40 FCAB C[C@@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)C(=O)NCc1ccccc1 56758375 RUBRHHSLHRQYKS-TZMCWYRMSA-N 353.444 0.425 0 40 FCAB Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)NCc1cccs1 56999899 GMAAMQOPRHQOGC-UHFFFAOYSA-N 361.471 0.957 0 40 FCAB Cc1cc(NC(=O)[C@@H]2C[C@H](c3cn(C)nc3C)NS(=O)(=O)N2C)no1 72335141 CDAXJABSJAOKQF-NEPJUHHUSA-N 368.419 0.243 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)CC1 79484422 XWHAIWLNLZZHAM-UHFFFAOYSA-N 370.479 0.118 0 40 FCAB Cn1nc(CNS(C)(=O)=O)c2c1CN(C(=O)c1ccsc1)CC2 96094573 NMICMJQAHKTPDO-UHFFFAOYSA-N 354.457 0.729 0 40 FCAB COCCNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217598366 RCPJSYGOUSHZHJ-LLVKDONJSA-N 358.416 0.900 0 40 FCAB CC1=C(C(N)=O)CC2(CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)O1 257293626 QQKVNJWROWHFIT-UHFFFAOYSA-N 354.432 0.729 0 40 FCAB COCCN1C(=O)C[C@@H](C(=O)NCCN2CCCC2=O)[C@@H]1c1ccccc1 257300129 RTADLIXIUQQDAD-APWZRJJASA-N 373.453 0.961 0 40 FCAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 298451929 HJUDHTUDMMZTFB-WCQYABFASA-N 368.411 0.581 0 40 FCAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)Cn1nc2n(c1=O)CCCC2 650044188 DHZORRNOYWPICR-CQSZACIVSA-N 355.398 0.085 0 40 FCAB Cc1noc(CC(=O)N2CC[C@@H]3[C@@H](CO[C@H]3CN3CCOCC3)C2)n1 1565542154 XJINJAYJPCIWMQ-KFWWJZLASA-N 350.419 0.116 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@H](NC(=O)c1cc(C3CC3)on1)CC2 1614937335 IPCAHNSRDUUFRU-GFCCVEGCSA-N 373.413 0.870 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 2055716097 YYOURKMBIBYXEW-CJNGLKHVSA-N 354.428 0.370 0 40 FCAB Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(=O)n3ccccc3nc21 2917182 PVXCHOJSXRMXKI-UHFFFAOYSA-N 353.382 0.524 0 40 FCAB CCOC(=O)C(=CNc1nnc(N2CCOCC2)s1)C(=O)OCC 3767333 QFHIYQJPSHHSRY-UHFFFAOYSA-N 356.404 0.797 0 40 FCAB NC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 4940614 OFSUOJMXTNAGNE-UHFFFAOYSA-N 359.363 0.569 0 40 FCAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NC1CC1 5340052 WCGHSRMSSJHNJC-UHFFFAOYSA-N 353.400 0.452 0 40 FCAB COC(=O)CNC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 6679450 SLWCPAQXADUCNJ-UHFFFAOYSA-N 373.390 0.503 0 40 FCAB O=C(O)/C=C/C(=O)N(CCS(=O)(=O)N1CCCC1)Cc1cccnc1 9060745 CNIJCBJFRIVPEA-AATRIKPKSA-N 367.427 0.477 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1C(=O)CCC1=O 9387858 LXAJLJUTGLXSFP-NSHDSACASA-N 367.427 0.721 0 40 FCAB O=C(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)NCc1ccncc1 9420833 GARYFRGZLQLZAO-UHFFFAOYSA-N 351.366 0.293 0 40 FCAB Cc1ccc(N2C(=O)N(Cc3cc(=O)n(C)c(=O)n3C)C(=O)[C@@H]2C)cc1 10498360 HAYADGQGHVAQGX-LBPRGKRZSA-N 356.382 0.750 0 40 FCAB O=C(NCCCn1ccnc1)c1nnc2n(c1=O)CCN2c1ccccc1 12233539 KIHILTRYZYAVHY-UHFFFAOYSA-N 365.397 0.807 0 40 FCAB Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CCCO)c(=O)n1C 12647759 AYACGNIJYRVJNF-UHFFFAOYSA-N 355.398 0.739 0 40 FCAB Cc1ccc(NC(=O)C2=COCCO2)cc1S(=O)(=O)N1CCOCC1 12678911 DBPSVWBVSYKMPR-UHFFFAOYSA-N 368.411 0.843 0 40 FCAB Nc1nccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 14074310 UQJYHIZZYBPMEI-UHFFFAOYSA-N 365.390 0.345 0 40 FCAB C[C@H](C(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1)N1CCCC1=O 19078354 UGABSZOTYLLOSO-ZIAGYGMSSA-N 358.442 0.906 0 40 FCAB CNc1nc([C@H]2CCCCN2C(=O)CNC(C)=O)nc2c1CCN(C)C2 19708640 ZWPBRPSNDIHWJC-OAHLLOKOSA-N 360.462 0.696 0 40 FCAB OCCN(/C=C/c1nnnn1-c1ccc(Br)cc1)CCO 20413605 QMAOIOUOIFYEFA-AATRIKPKSA-N 354.208 0.682 0 40 FCAB COC(=O)[C@@H](CCSC)N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O 23584829 LNNASIYOVPJQAU-ZJRUKIMVSA-N 373.500 0.654 0 40 FCAB CCOc1cc2c(cc1OCC)CN(c1nn(C)c(=O)n(C)c1=O)CC2 24984939 GHTNTRBIMLTXCX-UHFFFAOYSA-N 360.414 0.839 0 40 FCAB COc1ccc(CC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1OC 29207037 DWMLUYLBEXFWTB-CYBMUJFWSA-N 356.444 0.787 0 40 FCAB COC(=O)COc1cccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 40082763 JUASBCWKCUYZOP-UHFFFAOYSA-N 367.383 0.477 0 40 FCAB CS(=O)(=O)N1CCC(CNC(=O)C(=O)NCc2cccs2)CC1 43941623 OSTQECCYLTYSFY-UHFFFAOYSA-N 359.473 0.152 0 40 FCAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C[C@H](O)Cn3cccn3)CC2)C1 51591261 NPFJKWQWWVMBEJ-KSZLIROESA-N 363.506 0.366 0 40 FCAB COCCn1nnnc1[C@@H](c1ccccc1F)N1CCC(C(N)=O)CC1 57670123 OFEUILGTSHYHTP-OAHLLOKOSA-N 362.409 0.745 0 40 FCAB O=C1CC[C@@H](NC(=O)c2ccccc2I)C(=O)N1 89754476 JKBROTDNXWZZMS-SECBINFHSA-N 358.135 0.826 0 40 FCAB COC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1 223631423 OBMBXASBOBTGJF-UHFFFAOYSA-N 368.455 0.860 0 40 FCAB COc1cc(=O)n(C)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 225649069 CIIAEROXKCFOAW-UHFFFAOYSA-N 365.411 0.014 0 40 FCAB CS(=O)(=O)CC(=O)N1Cc2cncn2[C@H](COc2ccccn2)C1 247520053 LFODUFNIOLQWNH-ZDUSSCGKSA-N 350.400 0.285 0 40 FCAB CN1CCN(C[C@@]2(O)CCN(S(=O)(=O)c3ccccc3F)C2)CC1 257327491 XBNYADWHGDZDDA-INIZCTEOSA-N 357.451 0.199 0 40 FCAB O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2ccccc2Cl)CC1 575619106 MCLHKNHIWJQQBH-UHFFFAOYSA-N 372.830 0.879 0 40 FCAB Cc1nnc2n1C[C@H](CN(C)C)N(C(=O)Cc1cnn3ccccc13)C2 685943422 WILXJKBLMUDMCU-HNNXBMFYSA-N 353.430 0.749 0 40 FCAB Cn1nc(Br)c2c(=O)n(CC(=O)Nc3ccnnc3)cnc21 1129597759 LARZAKBFGAWHFS-UHFFFAOYSA-N 364.163 0.321 0 40 FCAB Cc1noc(CC(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)n1 1565542066 IAXBYKNJOQYEEY-UHFFFAOYSA-N 360.418 0.034 0 40 FCAB COc1cc(C(=O)N2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)on1 1565549708 AAKOXBIYQVEULZ-CXAGYDPISA-N 362.386 0.828 0 40 FCAB OC[C@@H]1O[C@@H](Oc2c[nH]c3ccc(Br)cc23)[C@@H](O)[C@@H](O)[C@H]1O 642930 LINMATFDVHBYOS-HTVCTNPSSA-N 374.187 0.109 0 40 FCAB CCNc1nc(NC(C)C)nc(N2CC(=O)N(CC(=O)OCC)C2=N)n1 2255673 RXJBDCROEWPULL-UHFFFAOYSA-N 364.410 0.270 0 40 FCAB Cc1ccc(OC[C@@H](O)Cn2c(N(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 2329397 XVYJKMUXWMUKRE-LBPRGKRZSA-N 373.413 0.238 0 40 FCAB CCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3516571 KBSFNWNMSCHGEM-HNNXBMFYSA-N 352.778 0.953 0 40 FCAB CC1CCN(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)CC1 4162146 XUSZEAOGVXPETM-UHFFFAOYSA-N 365.459 0.321 0 40 FCAB COC(=O)[C@H](C)OC(=O)OCCOCCOC(=O)O[C@@H](C)C(=O)OC 4353310 JXJWRBQXCDUWTF-UWVGGRQHSA-N 366.319 0.432 0 40 FCAB CN1C(=O)[C@H]2[C@H](N=C(N3CCOCC3)N2CCc2ccccc2)N(C)C1=O 4600113 UVKOOJAMXQJHHM-HZPDHXFCSA-N 371.441 0.451 0 40 FCAB CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O 5878633 NUQCRVOMSKCISV-UHFFFAOYSA-N 358.354 0.561 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]2c2ccccc2)CC1 10089682 AZOVHNBPERZOAP-INIZCTEOSA-N 351.472 0.927 0 40 FCAB CS(=O)(=O)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 13789380 QPJDLODJDAVUKB-UHFFFAOYSA-N 360.457 0.700 0 40 FCAB COc1ccccc1N1CCn2c1nc1c2c(=O)n(CCCO)c(=O)n1C 13811666 JMMHIWVMCNKTLW-UHFFFAOYSA-N 371.397 0.439 0 40 FCAB Cc1cc(NC(=O)CN2CCC[C@H](NC(=O)c3cnccn3)CC2)no1 19749189 NPDLMYFZTCPCNQ-ZDUSSCGKSA-N 358.402 0.996 0 40 FCAB CS(=O)(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 20745113 AFBBFYWQSJTMOZ-SNVBAGLBSA-N 359.835 0.358 0 40 FCAB CN(Cc1cnn(C)c1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 25048092 IOVGLCWSJIKWLK-UHFFFAOYSA-N 369.425 0.935 0 40 FCAB Cc1ccc(CNC(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cc1 25103681 DTCAYISKASXVCI-UHFFFAOYSA-N 363.439 0.723 0 40 FCAB NC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1 25516574 XJVBNQDIUBSDGG-UHFFFAOYSA-N 357.407 0.218 0 40 FCAB CC(=O)Nc1ccc(NC(=O)CNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 36358037 ZKXWZVNYVHTOIS-CYBMUJFWSA-N 368.415 0.070 0 40 FCAB CC[C@@]1(c2ccc(NC(=O)C(=O)NC[C@H](C)O)cc2)CCC(=O)NC1=O 36569394 ZNOMPDGVCLQMCG-VOJFVSQTSA-N 361.398 0.207 0 40 FCAB CCCn1c(=O)n(C)c(=O)c2c(S[C@H](C)C(N)=O)nc(C(C)C)nc21 36810964 CKKZBFVSTPDGCI-SECBINFHSA-N 365.459 0.990 0 40 FCAB CN1C(=O)[C@@H](NC(=O)C(=O)NCC(C)(C)N2CCOCC2)c2ccccc21 44922033 MUSFYUDGBGTTKM-HNNXBMFYSA-N 374.441 0.047 0 40 FCAB Cc1ccccc1Cn1cc(C(=O)O)c(S(=O)(=O)N2CCOCC2)n1 49411653 VCOJDCWJIGNRJA-UHFFFAOYSA-N 365.411 0.959 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)NCCc2ccc(F)cc2)CC1 58168920 UUPCEPNIVKMRST-UHFFFAOYSA-N 359.423 0.977 0 40 FCAB CSCC[C@@H](NC(=O)Cn1nc2c(cc1=O)CSCC2)C(=O)O 71328900 CKRJGMKCMAHFPR-LLVKDONJSA-N 357.457 0.355 0 40 FCAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccc[nH]c1=O 85467617 XJDSHYUXBYJFEO-AWEZNQCLSA-N 358.373 0.880 0 40 FCAB Cn1cc(N2CCC[C@H](N3CCN(C(=O)c4ccoc4)CC3)C2=O)cn1 95401426 LSSWMHXKTGHBOL-INIZCTEOSA-N 357.414 0.967 0 40 FCAB CCOC(=O)Cc1nnc(CN2CCN(C(=O)OC(C)(C)C)CC2)[nH]1 98211208 XAQXLZODGGSVDL-UHFFFAOYSA-N 353.423 0.963 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 102238960 SBJNMSCTFMWMOU-VIRABCJISA-N 366.439 0.740 0 40 FCAB CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253529562 GJZJZRWFRZFTEE-PKWXHYMCSA-N 374.430 0.029 0 40 FCAB biogenic,in-vitro Cc1cccc(N2CCC[C@H](NC(=O)c3cc(=O)n(C)c(=O)n3C)C2)n1 257309943 UCYUMUFWVZLFCU-ZDUSSCGKSA-N 357.414 0.186 0 40 FCAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 298451922 HJUDHTUDMMZTFB-DGCLKSJQSA-N 368.411 0.581 0 40 FCAB CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Nc1ccc(C2CC2)nn1 626441882 HFCNJHANIOLSAY-LLVKDONJSA-N 355.420 0.136 0 40 FCAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cnn(C2CCOCC2)c1 647928153 FUIKOQGQNIXZLK-HNNXBMFYSA-N 373.431 0.489 0 40 FCAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H]1CCOc2c(C)cccc21 661060831 FSAWODZGYWJDFW-HZSPNIEDSA-N 354.428 0.930 0 40 FCAB O=C(N[C@]12CCC[C@H]1CN(c1ncc(F)cn1)C2)c1ccc2nnnn2c1 1055566564 YZSRRRCPCXBMMH-SJCJKPOMSA-N 368.376 0.842 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)c2ccc3ccccc3c2)c(=O)n(C)c1=O 3365318 XPKDJNPCLDTGTJ-UHFFFAOYSA-N 367.361 0.859 0 40 FCAB O=C1c2ccccc2S(=O)(=O)N1CCn1nnc2ccccc2c1=O 6510645 HLVHQMOVQAHETM-UHFFFAOYSA-N 356.363 0.636 0 40 FCAB O=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)Nc1ccccc1 12444055 APNXOTZRNVVSFK-UHFFFAOYSA-N 373.394 0.893 0 40 FCAB CCCN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 14251077 AXVMXWOFBIBBAJ-LRDDRELGSA-N 371.459 0.133 0 40 FCAB NC(=O)C1CCN(C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)CC1 21873973 MMFXGRSNQNMCBJ-UHFFFAOYSA-N 372.425 0.267 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(Br)c1 25033820 YLKKIWRRWMHHHQ-LLVKDONJSA-N 355.188 0.953 0 40 FCAB CN(C)CCNC(=O)c1nc(CC(=O)Nc2ccc(F)cc2F)no1 36359654 WXAXFERHRLFESA-UHFFFAOYSA-N 353.329 0.820 0 40 FCAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccc(Cl)cc1 36366754 LZXQCXRCTARUHU-GXFFZTMASA-N 373.862 0.831 0 40 FCAB CC(C)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 36743925 GLECHDYOLKNDLW-RISCZKNCSA-N 360.414 0.943 0 40 FCAB CS(=O)(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1Cl 38771669 LYHIUSAQORZEMV-UHFFFAOYSA-N 361.851 0.774 0 40 FCAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(N)=O)CC1 40160888 OLIKWYRJROUTPO-KRWDZBQOSA-N 356.426 0.939 0 40 FCAB O=C(O)[C@H]1COCCN1S(=O)(=O)c1cccc(Br)c1 88376613 ZBUKXQHSLQHLMI-SNVBAGLBSA-N 350.190 0.923 0 40 FCAB CN(CC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)S(C)(=O)=O 96024940 AMECBJYFYQBFBS-UHFFFAOYSA-N 361.851 0.996 0 40 FCAB CCS(=O)(=O)N1CC[C@@]2(CN(c3cccc(F)c3)C(=O)CN2C)C1 96238021 LLKVFEKGOJSVTF-INIZCTEOSA-N 355.435 0.898 0 40 FCAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(-n2cnnn2)cc1 100466534 AJYYSEPBIVWQCI-GREKMHCPSA-N 366.381 0.632 0 40 FCAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCN(C)C 225484567 AAULRLGJORIEGG-UHFFFAOYSA-N 371.503 0.946 0 40 FCAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCCn3cncn3)C2)ncn1 257271271 MXPVKQUMBPNNSW-KRWDZBQOSA-N 359.434 0.257 0 40 FCAB CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)c3cccs3)[C@H]2O)CC1 514289027 MHTHLKGLEZYJQE-OFQRWUPVSA-N 367.471 0.160 0 40 FCAB biogenic,in-vitro CN1CC[C@@H](C(=O)NCCc2cc(C(F)(F)F)ccn2)S1(=O)=O 648402539 PVBVCNPWKZMBBS-NSHDSACASA-N 351.350 0.793 0 40 FCAB CCCN(CCC)S(=O)(=O)N1CCN(c2nc(C(=O)O)co2)CC1 649395536 UGNOMBLIATWBSH-UHFFFAOYSA-N 360.436 0.862 0 40 FCAB CC(C)NC(=O)c1c2c(nn1C)CO[C@@H](CNC(=O)CC1(O)CCC1)C2 1565546074 SCIGEXYVBUNUEM-GFCCVEGCSA-N 364.446 0.421 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)CC)CC2)c1 1648138645 FNXCELUWPVBLLO-UHFFFAOYSA-N 367.427 0.624 0 40 FCAB COc1nc(OC)nc(N2CCC(C(=O)N3CCSCC3)CC2)n1 2298199107 GEBIHZHDJACGLN-UHFFFAOYSA-N 353.448 0.681 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)N2CCOCC2)C(=O)O)cc1 2047126 CPGCGWWCQHOSAC-AWEZNQCLSA-N 370.427 0.366 0 40 FCAB COc1ccccc1O[C@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](O)[C@H]1NC(C)=O 4559892 BUZDTRJMALZTAY-NRKLIOEPSA-N 367.398 0.816 0 40 FCAB O=C(NCCCO)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 5250739 ZLTDVJYQDVGTOK-UHFFFAOYSA-N 355.416 0.054 0 40 FCAB O=C(NCCO)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9047165 ATAKVCBUPBBNGD-JTQLQIEISA-N 370.456 0.201 0 40 FCAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCOCC2)cc1C 9094922 YLQBGXWPYVEEDH-CYBMUJFWSA-N 356.444 0.919 0 40 FCAB CC[C@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)CN2CCOCC2)c1 19717761 RCHQEWONCLXASG-INIZCTEOSA-N 374.441 0.308 0 40 FCAB O=C(Cn1cccn1)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1 19747459 JRQBEGGGKCGWOK-UHFFFAOYSA-N 353.426 0.690 0 40 FCAB COc1ccccc1N1CCN(C(=O)NCCNS(C)(=O)=O)CC1 45651946 IDGLWUHKWAZGNQ-UHFFFAOYSA-N 356.448 0.076 0 40 FCAB COc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1F 48287985 LJZJUEIUJYZGOA-CMPLNLGQSA-N 370.402 0.808 0 40 FCAB CN(C)CCN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1 55198495 GBVFTRMRLXOHEM-UHFFFAOYSA-N 368.428 0.791 0 40 FCAB CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 56184317 VJIPUDFJGHNJSN-NEPJUHHUSA-N 362.430 0.839 0 40 FCAB COC[C@H](O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 84699964 UJVDAWGBXPQHBW-OAHLLOKOSA-N 370.471 0.844 0 40 FCAB COc1ccc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OCC(N)=O 95475851 ZRFJZYNOCAOHSE-LLVKDONJSA-N 358.350 0.997 0 40 FCAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)C1CN(C(=O)c3ccccc3)C1)C2 96000257 TTYBGWBQVAWNST-HNNXBMFYSA-N 374.466 0.950 0 40 FCAB CS(=O)(=O)NC[C@]12COC[C@H]1CN(C(=O)CCc1ccccc1)C2 96108338 OGIMHFYAAOCDBE-WBVHZDCISA-N 352.456 0.643 0 40 FCAB COC(=O)Cn1c(C)cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc12 96306566 URFYRAMBMQHJQR-UHFFFAOYSA-N 361.402 0.677 0 40 FCAB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1cnn(C)c1 225712697 NLXBMSDKSUEVLB-MRXNPFEDSA-N 351.428 0.931 0 40 FCAB Cc1cc(NC(=O)CN2CCC[C@@](C(N)=O)(c3ccccn3)C2)nn1C 257329823 XLRPJIXGEVAPTI-SFHVURJKSA-N 356.430 0.581 0 40 FCAB CO[C@@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/CN2CCOCC2)C1 585291563 QBNBKCJLITWSPJ-FHHGHWCOSA-N 367.490 0.751 0 40 FCAB COC(=O)[C@H]1C[C@H](O)CN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)C1 592912391 OHUHXSGMBGXHRN-GJZGRUSLSA-N 371.393 0.293 0 40 FCAB Cc1cnn(C[C@@H]2CN(C(=O)c3cnc(C4CCNCC4)[nH]3)CCO2)c1 685943354 ZYNMPTFNPIWFAB-HNNXBMFYSA-N 358.446 0.923 0 40 FCAB O=C(NCCc1ccccc1)C(=O)NCC1(OCCO)CCSCC1 828765408 NESSRMXTPMJTQK-UHFFFAOYSA-N 366.483 0.736 0 40 FCAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)[C@H]1CCCc2nn[nH]c21 1118947113 OBOVQDJXSORHAB-QWRGUYRKSA-N 353.390 0.057 0 40 FCAB CS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)o1 1251810910 PQVOHQSKMMVPJE-LBPRGKRZSA-N 369.443 0.237 0 40 FCAB O=C(CCn1c(=O)nc(O)c2ccccc21)NCc1noc2c1COCC2 1558495867 PHSNWXUXIBZEGX-UHFFFAOYSA-N 370.365 0.869 0 40 FCAB O=C(c1cc[nH]n1)N1CCOC[C@@]2(C1)CN(c1cccnc1)C(=O)CO2 1565550362 AJIWUMMFISXTHY-QGZVFWFLSA-N 357.370 0.079 0 40 FCAB CC(C)CN1CC2(CCN(C(=O)C3CC(O)C3)CC2)[C@@]2(CCNC2=O)C1 1614929590 FWVJOGRTGZPONJ-PMTKGXAQSA-N 363.502 0.844 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccn(C)n2)CC1 2055772876 PVFZZOFELJTFPZ-UHFFFAOYSA-N 360.418 0.011 0 40 FCAB CN(CCO)c1nc2c(c(=O)n(Cc3cccc(F)c3)c(=O)n2C)n1C 2394419 ZJKOVLHGOGKPSB-UHFFFAOYSA-N 361.377 0.050 0 40 FCAB COc1ccccc1N1CCN(C(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)CC1 3906521 DVRGCYXXWBWGPY-QZWWFDLISA-N 358.394 0.998 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8264683 SEEPLXJPVWWCFW-CYBMUJFWSA-N 357.366 0.672 0 40 FCAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCNC2=O)C1=O 8622843 JDQYGXLQKNFHOG-HNNXBMFYSA-N 350.762 0.659 0 40 FCAB COC(=O)CSc1nc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1 8716907 PDBKYFCICUGDIN-UHFFFAOYSA-N 374.422 0.747 0 40 FCAB CN(C(=O)c1ccc(CSc2nncn2C)o1)[C@H]1CCS(=O)(=O)C1 9951560 PMQLDEIVUUMOMT-JTQLQIEISA-N 370.456 0.960 0 40 FCAB COCCNC(=O)C(=O)NC[C@@H](c1cccn1C)N1CCCCCC1 11898728 VCNZYZXSTYYLSU-INIZCTEOSA-N 350.463 0.821 0 40 FCAB CS[C@]12CC3=CC=C[C@@H](O)[C@@H]3N1C(=O)[C@@](CO)(SC)N(C)C2=O 13377823 OVBAGMZLGLXSBN-HKCMKHECSA-N 356.469 0.027 0 40 FCAB biogenic COC(CNC(=O)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1)OC 13548390 PPVCPOATFCFJFD-UHFFFAOYSA-N 368.825 0.958 0 40 FCAB CNS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1 17073284 SKPXLYIJNUECJT-RNJOBUHISA-N 354.384 0.411 0 40 FCAB O=C(Nc1nc(=S)[nH][nH]1)C(=O)[C@H]1C(=O)Nc2ccccc2[S@@]1=O 17214760 HKGYJZNTRDWZLP-OTHYDSGKSA-N 351.369 0.103 0 40 FCAB Cc1nonc1CN(C)C(=O)C1CN(S(=O)(=O)c2ccc(F)cc2)C1 19747411 LGEOKJQXVZFGGE-UHFFFAOYSA-N 368.390 0.796 0 40 FCAB CCOCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 32721639 DFNHFHUCIIESIA-UHFFFAOYSA-N 351.334 0.982 0 40 FCAB CN(C)CCNC(=O)C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 36595031 WDZDQVUOYYGEQA-GFCCVEGCSA-N 362.386 0.108 0 40 FCAB Cc1ccc(NCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nn1 38670535 AKCUJGPURKWUJY-UHFFFAOYSA-N 363.443 0.877 0 40 FCAB NC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)CCO1 51712634 STBOHAYZQHSDJV-WFASDCNBSA-N 350.394 0.548 0 40 FCAB COCCn1nnnc1CN1CCC(Nc2nc(C)c(C)c(=O)[nH]2)CC1 57721231 YGCJGAAROJIBRS-UHFFFAOYSA-N 362.438 0.096 0 40 FCAB C[C@H](CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 58179733 JDQHSBNYMDWXAM-GFCCVEGCSA-N 351.428 0.556 0 40 FCAB Cc1cc(C)nc(NNC(=O)CN(C)S(=O)(=O)c2cccs2)n1 69926079 DFTMKLVXOSNJFW-UHFFFAOYSA-N 355.445 0.919 0 40 FCAB CN1C(=O)CO[C@H](C(=O)NCCN2CCOCC2)[C@@H]1c1ccccc1F 72241635 GOLPRPXKMNDWCZ-IRXDYDNUSA-N 365.405 0.172 0 40 FCAB O=C(C[C@H]1CCS(=O)(=O)C1)NC1CCN(C(=O)c2ccco2)CC1 73420418 NCSOOOBFDPTBGV-GFCCVEGCSA-N 354.428 0.825 0 40 FCAB O=C(O)c1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2O)cc1 77265270 RPMUFUKSGALZGZ-ZACQAIPSSA-N 371.393 0.428 0 40 FCAB biogenic,in-vitro Cc1cc(C)n(-c2nc(CCNC(=O)CN3C(=O)CCC3=O)cs2)n1 85473521 OHLLIEDTPSWBNR-UHFFFAOYSA-N 361.427 0.753 0 40 FCAB CNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C 89570208 GSNNDGINASQQGI-ZDUSSCGKSA-N 356.444 0.876 0 40 FCAB O=C(NCCc1nnc2ccccn12)c1cc(F)ccc1-n1cnnn1 95472585 UDWLALRNKKBVBU-UHFFFAOYSA-N 352.333 0.817 0 40 FCAB Cc1csc(N2CCN(C(=O)Cc3c(C)[nH]c4ccnn4c3=O)CC2)n1 104035543 AOOPXQXCSDEMDB-UHFFFAOYSA-N 372.454 0.987 0 40 FCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 105352579 PJRFPGAZODKYNO-VBIMJKJZSA-N 357.410 0.586 0 40 FCAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)Nc1sccc1C(N)=O 105971930 UUHSWAJOUVMFKJ-VZUCSPMQSA-N 369.424 0.765 0 40 FCAB CN(c1cccc(NC(=S)NCCN2CCCC2=O)c1)S(C)(=O)=O 225812064 ZTGKAHMDIFAUFI-UHFFFAOYSA-N 370.500 0.991 0 40 FCAB COc1ccc(C2=NN(/C=c3\sc4ncnn4c3=O)[C@H](C(=O)O)C2)cc1 256027988 MZGUIDMRPBWWAF-BPLGCGBFSA-N 371.378 0.180 0 40 FCAB O=C(c1cn2c(nc1=O)CC1(CCN(CC3CC3)CC1)C2)N1CCOCC1 306132009 KVNPWZYHYJFNPT-UHFFFAOYSA-N 372.469 0.764 0 40 FCAB C[S@](=O)c1nncn1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 329252672 VOAUTMFRSGCNTI-RZFZLAGVSA-N 352.391 0.755 0 40 FCAB COCCNC(=O)[C@@H]1COC2(CN(C(=O)[C@@H]3C[C@@H]3C)C2)CN1CC1CC1 575403968 JQAODDKHQXMIPQ-IMJJTQAJSA-N 365.474 0.097 0 40 FCAB CN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575422185 NBQQFPGKCLGJNB-LSDHHAIUSA-N 355.437 0.618 0 40 FCAB COc1nc(CNC(=O)c2noc3c2CCCC3)nc(N2CCOCC2)n1 575603680 ILVZYSYYLFJJAC-UHFFFAOYSA-N 374.401 0.514 0 40 FCAB COC[C@]1(CC(=O)NCc2ccccc2OC)CN(C(C)=O)CCO1 585280372 GFWCLLYNDOZFLI-SFHVURJKSA-N 350.415 0.965 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(S(=O)(=O)c2cccc3c2OCC3)C1 643696448 SYNYPMGTXCODQU-INIZCTEOSA-N 354.428 0.273 0 40 FCAB Cc1nnc2n1C[C@@H](C(=O)NCCOc1ccc(F)c(F)c1)N(C)C2 644338105 GTNXOUDZZOMFJC-AWEZNQCLSA-N 351.357 0.874 0 40 FCAB CC1CCC(NC(=O)CN2CCN(c3ncnc4c3nnn4C)CC2)CC1 663539077 NQPFUQRKLHAQDE-UHFFFAOYSA-N 372.477 0.575 0 40 FCAB COc1cnc(OC2CCN(S(=O)(=O)c3nccn3C)CC2)nc1 1193592441 LNJVQZOXBXWUKQ-UHFFFAOYSA-N 353.404 0.451 0 40 FCAB COc1ccc(CN2[C@@H]3CN(C4COC4)C[C@@H]3OCCS2(=O)=O)cc1 1534645828 IZZGBHAXXGVFCE-SJORKVTESA-N 368.455 0.309 0 40 FCAB Cn1cccc(C(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)c1=O 1565544889 ACRJKEBBPKJZRX-UHFFFAOYSA-N 369.425 0.864 0 40 FCAB COc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 626123 KSOGSVFKYBCNOA-UHFFFAOYSA-N 362.773 0.979 0 40 FCAB COCCNC(=S)N(CCO)Cc1cc2cc(OC)ccc2[nH]c1=O 4133226 YQTHQGACBPMESA-UHFFFAOYSA-N 365.455 0.852 0 40 FCAB CN(C(=O)COC(=O)COc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 4195132 DPKHCINCWKGVDW-LLVKDONJSA-N 359.375 0.393 0 40 FCAB CC(=O)O[C@@H]1C[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO 4581146 YHQCWFGKRPKMDG-FMKPAKJESA-N 373.365 0.707 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCCn2c(=O)oc3ccccc32)CC1 12729916 WKVPBBYDAJSWAD-UHFFFAOYSA-N 367.427 0.382 0 40 FCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1 15365852 WWKNMQPPRQSEKF-AWEZNQCLSA-N 374.484 0.142 0 40 FCAB CCOc1cc(CNCCNC[C@H](C)O)cc(Cl)c1OCC(N)=O 22075690 VFSYANDFOUMIGA-NSHDSACASA-N 359.854 0.663 0 40 FCAB CN1CCN(CC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)CC1 22585592 FHWLMJSDUIZYAC-QGZVFWFLSA-N 360.458 0.781 0 40 FCAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)C(=O)Nc1ccon1 22766508 MNPVFCJTCWJJGL-LBPRGKRZSA-N 350.400 0.864 0 40 FCAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c1C 22786915 FJKGXNRCSXZKOA-UHFFFAOYSA-N 360.458 0.913 0 40 FCAB CC(C)(C)NC(=O)CN1CCN(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 23248866 NPFGODGCSXQDCN-HUUCEWRRSA-N 364.490 0.651 0 40 FCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2ccncc2)CC1 23995580 HUXSZXCAMIOJNM-UHFFFAOYSA-N 371.441 0.590 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]2Cc2ccccc2)CC1 25359598 RCDWZVKSZWBVSI-KRWDZBQOSA-N 365.499 0.797 0 40 FCAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)N1CCOCC1 25777995 XXUGNUJHXWJNBO-UHFFFAOYSA-N 371.459 0.183 0 40 FCAB O=C(CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1)NC1CC1 35325341 LRXOGGVVBAAOGH-UHFFFAOYSA-N 367.453 0.968 0 40 FCAB CN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)CC1 38772093 ABAIZZISMHEKPQ-UHFFFAOYSA-N 351.472 1.000 0 40 FCAB Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCN(c3ncccn3)CC1)CS2 90609587 LZRYYCQWMKSFTL-CYBMUJFWSA-N 372.454 0.412 0 40 FCAB CC(=O)N1C[C@H]2CN(C(=O)Cc3ccccc3)CCN2C[C@@H](C(=O)O)C1 96184945 QRBCAJKOJOAGHB-IAGOWNOFSA-N 359.426 0.305 0 40 FCAB CN1C[C@H](C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)CC1=O 220875395 XSYIFUUHYUHTSK-QWHCGFSZSA-N 370.413 0.786 0 40 FCAB Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)cc1 257225773 FHSXWMJCZHRKLI-IRXDYDNUSA-N 354.472 0.841 0 40 FCAB Cc1cc(-c2ccnn2C)nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257250369 JMGSKCLEZZACBB-LBPRGKRZSA-N 350.448 0.781 0 40 FCAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCCn3cncn3)C2)ncn1 257271272 MXPVKQUMBPNNSW-QGZVFWFLSA-N 359.434 0.257 0 40 FCAB CN(C)Cc1cncc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 257303184 SGDAVGGGHUXHSF-OAHLLOKOSA-N 355.464 0.252 0 40 FCAB Cc1cc(-c2cc(C[C@@H]3CCN(S(=O)(=O)N(C)C)C3)ncn2)[nH]n1 257318182 VMURLUDPAYPNDI-LBPRGKRZSA-N 350.448 0.846 0 40 FCAB COc1ncccc1C(=O)N1CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]1C 306129684 IJWQSAMMSFQSKK-QWHCGFSZSA-N 371.459 0.507 0 40 FCAB NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 332107403 FLLPOZWTKTUJJS-NWDGAFQWSA-N 369.418 0.458 0 40 FCAB CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 566496083 OQRACJBDUJHCFG-IUODEOHRSA-N 365.455 0.037 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc4c(ccn4C)c3)C2)CN1C 575404377 LVDUTGIBJJYXJT-INIZCTEOSA-N 356.426 0.450 0 40 FCAB CCn1cc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c(C(F)(F)F)n1 575451997 DDHXPUFOFVBXLC-CYBMUJFWSA-N 359.308 0.736 0 40 FCAB CN(C)S(=O)(=O)N1CCC(CNC(=O)c2noc3c2CCCC3)CC1 575616036 NWRNBPINZZIBEY-UHFFFAOYSA-N 370.475 0.802 0 40 FCAB O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CCO1 580996340 DDZNERCKXZPNTA-NSHDSACASA-N 351.327 0.805 0 40 FCAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 608033338 ZNVCBLPARCRPJV-MCIONIFRSA-N 374.484 0.816 0 40 FCAB CO[C@@H]1COC[C@@H](CNC(=O)c2ccc(OCCN(C)C)cc2)[C@@H]1O 643585354 BOQDNPQZQYEFBQ-OIISXLGYSA-N 352.431 0.379 0 40 FCAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1C[C@@H](CO)[C@@H](CCO)C1 1124101492 DNGPQBMYRIEOQM-QWRGUYRKSA-N 361.364 0.840 0 40 FCAB O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1)N1CCn2c(Cc3cccc(F)c3)nnc2C1 1553421584 JXIMMJKPSFRXCZ-JYJNAYRXSA-N 371.416 0.870 0 40 FCAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cncc(O)c5)C[C@@H]4C3)nn12 1888888074 RBLJLLIECROODC-KBPBESRZSA-N 365.397 0.742 0 40 FCAB Cn1ncc2c(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)ncnc21 2086884499 APRBCDOERDSSLZ-LBPRGKRZSA-N 366.372 0.826 0 40 FCAB CNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(C)cc1 4519079 SARBATRJASEBGT-AWEZNQCLSA-N 350.396 0.965 0 40 FCAB C[C@@]1(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CCS(=O)(=O)C1 7473053 VXGXQJHEKSNARU-CYBMUJFWSA-N 367.395 0.990 0 40 FCAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(N)=O 7772303 ZYNRCNVXUTVQIN-CABZTGNLSA-N 353.400 0.167 0 40 FCAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O 10536698 AMQUQBYLJQXODS-GOSISDBHSA-N 356.382 0.441 0 40 FCAB CC(=O)c1ccccc1OCCN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O 14242227 FNJBCMGTUHRWIG-CYBMUJFWSA-N 368.411 0.623 0 40 FCAB C/C(NCCCN1CCOCC1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 20332621 FFULQFPMKGFHTJ-JQIJEIRASA-N 372.425 0.855 0 40 FCAB COCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 21897571 AKGSXLMEFHBLOR-HNNXBMFYSA-N 372.443 0.523 0 40 FCAB CC(=O)Nc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 24248124 JEQQGSVXDYRPET-UHFFFAOYSA-N 355.416 0.128 0 40 FCAB CN(CC(=O)N1CCC2(CC1)OCCO2)S(=O)(=O)c1ccc(F)cc1 24995930 RDDHODSESXLPIQ-UHFFFAOYSA-N 372.418 0.812 0 40 FCAB CNC(=O)CN1CCC(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 25228686 WGDYQZSVJTVQIB-UHFFFAOYSA-N 371.441 0.182 0 40 FCAB Cc1nn(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1Br 27981585 AGAJTJXWTBLWBE-SECBINFHSA-N 350.238 0.566 0 40 FCAB COCCn1nc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)ccc1=O 29340409 ADJQWZWUCQVBEW-UHFFFAOYSA-N 350.762 0.894 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2nc(C)no2)cc1 32904909 DADDXSFVKURIGQ-SECBINFHSA-N 355.372 0.797 0 40 FCAB O=C(Cn1cc(Br)ccc1=O)N[C@@]1(C(=O)O)CCSC1 43509036 MEPHKZXXIWQILO-LBPRGKRZSA-N 361.217 0.687 0 40 FCAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCN1CCOCC1 48090279 YTHBGKRBPABSRW-SFHVURJKSA-N 358.442 0.664 0 40 FCAB COC(=O)[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccs1 58141652 ITPFYBMZLZVCTN-LBPRGKRZSA-N 360.457 0.750 0 40 FCAB CCc1cccc(NS(=O)(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 58171088 OYKHDWYUEGELRG-UHFFFAOYSA-N 374.422 0.995 0 40 FCAB COc1ccccc1NC(=O)CNC(=O)N1CCN(c2ncccn2)CC1 72403387 JVQLLMWASFSQMY-UHFFFAOYSA-N 370.413 0.956 0 40 FCAB COC(=O)CN(CCN1CCOCC1)Cn1ccc(C(F)(F)F)n1 75148685 XENMLNDRUSNXOA-UHFFFAOYSA-N 350.341 0.667 0 40 FCAB CCS(=O)(=O)N1CCOC[C@@]2(CN(c3ccccc3)C(=O)CO2)C1 96051285 JSYMKSSJVPQWFL-INIZCTEOSA-N 354.428 0.471 0 40 FCAB COc1cccc(NC(=O)Cn2nc3c(cc2=O)CN(C(C)=O)CC3)c1 96105680 BETUGAOYMNBJNC-UHFFFAOYSA-N 356.382 0.795 0 40 FCAB CCCNC(=S)N1C[C@]2(C)CN(C(=O)C(=O)OC)C[C@@](C)(C1)C2=O 100509561 FDTRTJWWKDMALN-HOTGVXAUSA-N 355.460 0.183 0 40 FCAB CN(C)CCCNc1c(N2CCN(Cc3ccccc3)CC2)c(=O)c1=O 101695709 WSQFVTHTMOMQKT-UHFFFAOYSA-N 356.470 0.968 0 40 FCAB CCc1ccc(C(=O)N2C[C@H]3OC[C@@H](CNS(C)(=O)=O)[C@H]3C2)cc1 306126146 DOCZNSCBPRGZJH-BZUAXINKSA-N 352.456 0.885 0 40 FCAB Cn1ccnc1NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 581535703 LVBDHHRHPYWJOP-UHFFFAOYSA-N 350.400 0.693 0 40 FCAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(OCC3CC3)CC2)c1 608362857 SCEXACTYHDKZRZ-UHFFFAOYSA-N 374.484 0.914 0 40 FCAB CO[C@H](CS(=O)(=O)Nc1cnccc1-n1ccnn1)[C@@H]1CCOC1 656737797 PQIQEZVFGZXWFW-BXUZGUMPSA-N 353.404 0.456 0 40 FCAB COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2cccc(Cl)c2)nn1 1549159252 VMXSZUIYWJDTSP-ARFHVFGLSA-N 352.822 0.996 0 40 FCAB CC1=NN(CN2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C 1554502661 XJJAICBTVPGTMX-LBPRGKRZSA-N 359.434 0.634 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)[C@@H]5CCCO5)C[C@H]4C3)nn12 1888870108 RVZSXPACQXMPRY-MCIONIFRSA-N 356.430 0.760 0 40 FCAB Cc1cncc(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4ccon4)C3)C2)n1 2056226190 MPZUFGRCSQXMBN-FUHWJXTLSA-N 373.413 0.449 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Cc1noc(CC(=O)N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)n1 585101033 XEJJCZZWFVKNSF-QGZVFWFLSA-N 356.386 0.756 0 40 FCAB CNC(=O)CC[C@]1(O)CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 585278707 RCQWWMRUNWSAGB-MRXNPFEDSA-N 356.444 0.737 0 40 FCAB CN1CCC(NC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)CC1 585291443 PGCUIYOCLUWMIX-QUCCMNQESA-N 361.486 0.237 0 40 FCAB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1ncn(C)n1)C2 1565553707 IIWPFZNYEJDBPI-UHFFFAOYSA-N 359.434 0.581 0 40 FCAB CC(C)CN1CC2(CCN(C(=O)c3ncn(C)n3)CC2)[C@@]2(CCNC2=O)C1 1614929376 ZAJCRNQMLVVNLI-IBGZPJMESA-N 374.489 0.515 0 40 FCAB Cc1cccc(CO[C@@H]2CN(S(=O)(=O)N(C)C)[C@@H]3CCCO[C@H]23)n1 2055738918 ZZLXGMDFDKUJAG-OAGGEKHMSA-N 355.460 0.945 0 40 FCAB O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)NCc1ccco1 4139779 RLRCPBCOUNGYPI-UHFFFAOYSA-N 364.365 0.946 0 40 FCAB NC(=O)CC[C@@H](NC(=O)CNC(=O)Nc1ccc(Cl)cc1)C(=O)O 5944907 VIRQXYVTFVBPKS-SNVBAGLBSA-N 356.766 0.296 0 40 FCAB COc1ccc(CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1 8747775 SDANRGDNXZLBHQ-UHFFFAOYSA-N 368.187 0.624 0 40 FCAB COc1cccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)c1OC 13131292 INUNCLLTHSDNCX-OAHLLOKOSA-N 373.413 0.865 0 40 FCAB COCCN1C(=O)C(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 14166273 QJDKPYIINMSRKV-UHFFFAOYSA-N 358.354 0.060 0 40 FCAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15325615 ZFJJCQFXQPOHLY-AWEZNQCLSA-N 363.439 0.782 0 40 FCAB O=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)c1cccs1 15674511 WRMCHKBFMBOXQJ-UHFFFAOYSA-N 360.442 0.873 0 40 FCAB CC(C)(C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16024664 DFHPXOXRDNBREJ-PRKYJLDLSA-N 370.409 0.081 0 40 FCAB O=C1CC2(CCCC2)C(=O)N1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 22912110 FWKOPNHGNYJVNG-AWEZNQCLSA-N 369.487 0.068 0 40 FCAB C[C@H](C(=O)OCc1nc(N)nc(N(C)C)n1)n1c(=O)oc2ccccc21 24115907 OBBWVPDSBIVZCK-SECBINFHSA-N 358.358 0.732 0 40 FCAB O=C(CN1CCN(C(=O)Nc2ccc(F)cc2F)CC1)N1CCOCC1 35267933 QBSBGIGOWVPDBQ-UHFFFAOYSA-N 368.384 0.973 0 40 FCAB COC(=O)c1ccc2c(c1)S(=O)(=O)N(CCCN1CCOCC1)C2=O 48366097 YQKKPAMEWCSEOH-UHFFFAOYSA-N 368.411 0.340 0 40 FCAB CCCOc1ccccc1OCC(=O)N1CCNC(=O)[C@H]1CC(=O)OC 57993656 YEKIIVYSTLZBID-CYBMUJFWSA-N 364.398 0.744 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)CC1 69923610 SZGWHDJRDNPWHG-HUUCEWRRSA-N 369.491 0.254 0 40 FCAB O=C(NCC1CCN(C(=O)c2ccncc2)CC1)C(=O)NCC(F)(F)F 70893751 FQSZBQCZWLVHLI-UHFFFAOYSA-N 372.347 0.729 0 40 FCAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NC2CCCC2)N(C)S(=O)(=O)N1 72335157 SOGUBIBXHIXRMM-ZIAGYGMSSA-N 355.464 0.367 0 40 FCAB CCOC(=O)C1CCN(C(=O)[C@@H](C)NC2CCN(CCOC)CC2)CC1 76046901 SFVDBXYLCZYOHA-OAHLLOKOSA-N 369.506 0.877 0 40 FCAB CN1CCO[C@@H]2CN(CC(=O)NCCOc3ccc(Cl)cc3)C[C@@H]21 83881751 JWZLPUXYLRDVPY-JKSUJKDBSA-N 353.850 0.850 0 40 FCAB CN(C)CC(=O)N1Cc2ncn(C)c2[C@@H](COCC2CCOCC2)C1 96045007 CSJABTGNLGZPJV-OAHLLOKOSA-N 350.463 0.851 0 40 FCAB Cn1cccc1C(=O)N1CC[C@]2(CC(C(=O)NC[C@@H]3CCCO3)=NO2)C1 96225624 NNRIGILUCHASFT-UGSOOPFHSA-N 360.414 0.681 0 40 FCAB CN1CCN(c2ncnc3c2CCN(C(=O)c2cccn2C)CC3)CC1 96255692 LDJXOYATDBTFOG-UHFFFAOYSA-N 354.458 0.808 0 40 FCAB Cc1noc(-c2ccn3c(CNC(=O)[C@H]4CC(=O)N(C)C4)nnc3c2)n1 238868281 MGVGBWZYJZYHEY-NSHDSACASA-N 355.358 0.182 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257231448 GGSDBQBITOHLHX-LBPRGKRZSA-N 350.448 0.928 0 40 FCAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1n[nH]c2c1CCC2 257307134 SXIOQPAYXWZCKC-GOSISDBHSA-N 356.430 0.792 0 40 FCAB O=C(c1ccco1)N1CCO[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC[C@@H]2C1 1142641781 ONADMGIOKVLPIE-WDTWZTHCSA-N 360.410 0.862 0 40 FCAB O=C([C@@H]1CCOC1)N1CCOC[C@]2(CC[C@H](CN3CCOCC3)O2)C1 1565555986 LLTCVYCARSKIIP-NUJGCVRESA-N 354.447 0.132 0 40 FCAB Cn1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1=O 2086928079 CMOFWNAMAKHVMQ-CQSZACIVSA-N 355.385 0.844 0 40 FCAB C[C@H](NC(=O)C1CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 2109058 WYECHKCBURNQCS-QWRGUYRKSA-N 371.434 0.728 0 40 FCAB biogenic COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2N2CCOCC2)cc1 2333476 OLQKQPQGSXQCAO-UHFFFAOYSA-N 370.409 0.683 0 40 FCAB CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2N)CC1 3886890 KXPRSJOCTXPIPD-UHFFFAOYSA-N 354.476 0.432 0 40 FCAB NC(=O)C1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 9583052 QSSJYYCBUZVGKE-OAHLLOKOSA-N 371.503 0.142 0 40 FCAB CC(C)CC(=O)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1 12164719 SWWBUKVPHWRQSV-UHFFFAOYSA-N 369.491 0.481 0 40 FCAB CCOC(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 19680253 WNACQMGVSYUIGA-LBPRGKRZSA-N 361.441 0.671 0 40 FCAB COc1ccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)c(OC)c1 19944405 MZUKNXMEJVDXTR-UHFFFAOYSA-N 359.434 0.962 0 40 FCAB COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC(C)C 20889548 JJLXSTAJUXYIAQ-ZDUSSCGKSA-N 356.444 0.753 0 40 FCAB Cn1cccc(C(=O)NCCn2nc(-c3cccs3)n(C)c2=O)c1=O 36708595 HCPPCPWNHCILCY-UHFFFAOYSA-N 359.411 0.439 0 40 FCAB COc1ccc(C(=O)O[C@H]2C[C@@H](C)OC2=O)cc1S(=O)(=O)NC1CC1 39977889 WQTJDUZHYCQBJC-RNCFNFMXSA-N 369.395 0.997 0 40 FCAB Cc1ccc(-c2nc(C(N)=O)c3c(n2)n(C(C)C)c(=O)n3CC(N)=O)s1 57740172 YEWAROMZMMEIGA-UHFFFAOYSA-N 374.426 0.795 0 40 FCAB CN(CC(=O)NCC(=O)NCc1ccco1)S(=O)(=O)c1cccs1 58259941 AKKAIPJPEAWELK-UHFFFAOYSA-N 371.440 0.394 0 40 FCAB Cn1nnnc1-c1cccc(NC(=O)NCCN2CCCS2(=O)=O)c1 58418671 NXQHQXSPNGYDKI-UHFFFAOYSA-N 365.419 0.034 0 40 FCAB CC(C)CN1C[C@@]23CN(C(=O)c4cccnc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146082 JTNZNXKTIPXNPC-VYDXJSESSA-N 365.455 0.735 0 40 FCAB COC[C@H]1CC2(CCN(C(=O)N3CCCC3)CC2)CN1S(C)(=O)=O 96208643 LVQYSHAZBGJNCQ-CQSZACIVSA-N 359.492 0.965 0 40 FCAB Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(C(=O)CC4CC4)C3)C2)cn1 96225975 BQZODQPWLPHMOD-SFHVURJKSA-N 357.414 0.949 0 40 FCAB CN(C)[C@@H](CNc1c(N2CCN(C=O)CC2)c(=O)c1=O)c1ccccc1 101692983 UVYKGEJGVKMDSA-HNNXBMFYSA-N 356.426 0.276 0 40 FCAB CN1C[C@@H](C(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)CC1=O 220875337 XSYIFUUHYUHTSK-OLZOCXBDSA-N 370.413 0.786 0 40 FCAB CN(C(=O)c1cncnc1)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257336711 YPRRDOKJSRDHHM-MDZLAQPJSA-N 354.374 0.035 0 40 FCAB Cc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1C(=O)O 535615826 FNLHCHXNLVCWSF-UHFFFAOYSA-N 371.353 0.079 0 40 FCAB Cc1cccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C)[C@H]4C3)CC2)c1 585284653 UMGFQESDYXIZIR-ROUUACIJSA-N 359.470 0.868 0 40 FCAB CN(C)[C@H]1CC2(CCN(C(=O)/C=C/c3ccnn3C)CC2)OC[C@]1(C)O 585288959 CCECBBGQJJYHTG-MMUANNJHSA-N 362.474 0.896 0 40 FCAB NS(=O)(=O)c1ccc(N2CCN(c3ncccc3C(=O)O)CC2)cc1 613477978 LJCYJEQMCVTAIR-UHFFFAOYSA-N 362.411 0.754 0 40 FCAB NC(=O)C[C@H]1CN(C(=O)c2ccnc(O)c2)C[C@H]1OC(=O)c1ccccc1 643586793 DCGYVNCETJWTES-LSDHHAIUSA-N 369.377 0.960 0 40 FCAB COc1ccc(CCNC(=O)C[C@H]2CS(=O)(=O)CCN2C)cc1F 644337581 XCUCQQDEPVTHLZ-ZDUSSCGKSA-N 358.435 0.612 0 40 FCAB O=C(NCC1CC1)[C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]2OCC[C@H]21 1565548317 BLCHZLJTPDPAGG-GVDBMIGSSA-N 358.442 0.799 0 40 FCAB CCc1nc(N2C[C@@H]3CN(C(=O)c4ccn(C)n4)C[C@H]3C2)nc(O)c1F 1888864046 YSLYBUFPQYACSJ-QWRGUYRKSA-N 360.393 0.826 0 40 FCAB CCOC(=O)C1CCN(C(=O)C(=O)N2CCC(C(=O)OCC)CC2)CC1 4551441 ZVTINSWGLLUZPM-UHFFFAOYSA-N 368.430 0.590 0 40 FCAB CCN(C(=O)Cn1ncc(Cl)c(Cl)c1=O)[C@H]1CCS(=O)(=O)C1 4931977 VUBYWQWHKMNZPH-QMMMGPOBSA-N 368.242 0.586 0 40 FCAB Cc1cc(C)cc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1 10283404 AOTZEOUUUQRPHX-UHFFFAOYSA-N 353.444 0.370 0 40 FCAB COC(=O)c1sccc1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 12975502 LRUCKARCXHTPHI-UHFFFAOYSA-N 374.378 0.733 0 40 FCAB CC[C@@H](C(=O)N1CCN(C=O)CC1)N(c1ccccc1)S(C)(=O)=O 13711782 KVFUYTFEZVBAGT-HNNXBMFYSA-N 353.444 0.532 0 40 FCAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCN1CCOCC1 13719469 CIFVQAJPQIUACR-UHFFFAOYSA-N 372.425 0.170 0 40 FCAB COc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cn1 16970068 RGOHZQRZSWFMNZ-UHFFFAOYSA-N 355.148 0.341 0 40 FCAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(N2CCOCC2)CC1 19804693 ZCCZUFHBQPQMNR-UHFFFAOYSA-N 368.455 0.943 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1Br 20489218 AJOJZYNXKIUVQP-UHFFFAOYSA-N 360.189 0.935 0 40 FCAB Cn1c(=O)c2c(ncn2C[C@@H](O)COCc2cccs2)n(C)c1=O 23674316 HIBMTHMOIZZSJE-SNVBAGLBSA-N 350.400 0.073 0 40 FCAB CC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 25524870 FEZSVETWEVNKFF-UHFFFAOYSA-N 357.384 0.649 0 40 FCAB O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 31998357 XTKXLLRCWUWQLW-UHFFFAOYSA-N 361.423 0.994 0 40 FCAB CCN1CCN(CC(=O)N2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)CC1 40386191 LHNCCEGKRNPEGZ-QGZVFWFLSA-N 370.453 0.802 0 40 FCAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCN2)c1 53254705 ILJRLKPGUNDDLJ-SECBINFHSA-N 352.865 0.774 0 40 FCAB COc1ccc([C@@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F 58320619 ABOBFSGIUDEFFZ-SECBINFHSA-N 371.390 0.271 0 40 FCAB C[C@H](Sc1n[nH]c(=O)n1C[C@@H]1CCCO1)c1nc(N)nc(N(C)C)n1 58380618 SACGMNMJPGCQTO-IUCAKERBSA-N 366.451 0.437 0 40 FCAB Cc1cc(NC(=O)C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)no1 70893996 YSEWHULGAOSECO-UHFFFAOYSA-N 371.397 0.985 0 40 FCAB O=C(NCCc1nccs1)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 95480193 HQWKJVBSMGYDAM-LLVKDONJSA-N 358.431 0.551 0 40 FCAB Cn1c(=O)c2nc(SCC(=O)NC3CCCCC3)[nH]c2n(C)c1=O 100993117 LRQKPOIYRSCGIF-UHFFFAOYSA-N 351.432 0.501 0 40 FCAB O=C(CNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc2c(=O)[nH][nH]c(=O)c12 106151001 PVYWOMCSUWTYOU-NHCYSSNCSA-N 356.382 0.707 0 40 FCAB 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CC(=O)[C@H](C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(C)c(C)c2)c1=O 4341852 XAXTZXSLTZKYBR-OAHLLOKOSA-N 368.397 0.812 0 40 FCAB CC(=O)O[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO 4581144 YHQCWFGKRPKMDG-IIAWOOMASA-N 373.365 0.707 0 40 FCAB O=S(=O)(NCCn1nc([C@@H]2CCNC2)c2nccnc21)c1ccccc1 19373701 QOFGOWIDAIALKU-CYBMUJFWSA-N 372.454 0.882 0 40 FCAB COc1c2c(cc3c1[C@@H](c1c(O)n(C)c(=O)[nH]c1=O)N(C)CC3)OCO2 20113041 ONFNURHXJYKMHO-LBPRGKRZSA-N 361.354 0.094 0 40 FCAB biogenic Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2CCc1ccccc1 4316577 OSLFLLIBFUUART-UHFFFAOYSA-N 354.414 0.076 0 40 FCAB COC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3ccc(OC)cc3)C2=O)C1 5024121 ZZNJHBZSSJGTDV-KRWDZBQOSA-N 359.338 0.479 0 40 FCAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)NC1CCCC1 5039141 QGVMQFCDRVFIMM-SNVBAGLBSA-N 370.427 0.947 0 40 FCAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@@H]1CCOC1=O 7772256 PULIXJVPUIDOCP-YPMHNXCESA-N 366.395 0.608 0 40 FCAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2n[nH]c(N)n2)c1 9669765 PLDVPQOQSFWCAA-UHFFFAOYSA-N 356.433 0.368 0 40 FCAB Cn1c(=O)c2ccccc2n2c(CSc3nc(N)nc(N)n3)nnc12 11233764 RPJVGPHXVGIBOE-UHFFFAOYSA-N 355.387 0.223 0 40 FCAB COc1ccc([C@H](CNC(=O)c2nccnc2N)N2CCOCC2)cc1 12752706 XMZWOJLAKDPBOM-HNNXBMFYSA-N 357.414 0.871 0 40 FCAB Cn1c(=O)cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c1=O 19666138 FELWATJMEZXICB-UHFFFAOYSA-N 371.422 0.646 0 40 FCAB COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cn1 19719100 JLWAEDUQWMKAFR-UHFFFAOYSA-N 354.432 0.189 0 40 FCAB CS(=O)(=O)N1CCC(Nc2ccc3nnc(C(F)(F)F)n3n2)CC1 22535181 ASYOYFNFEPBAKV-UHFFFAOYSA-N 364.353 0.979 0 40 FCAB O=C(NCC(F)(F)F)N1CCN(S(=O)(=O)c2cccnc2)CC1 27364920 KSRDOQFPYLKZPM-UHFFFAOYSA-N 352.338 0.660 0 40 FCAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCCCn1cccn1 30168497 HJKNDLJVEJJIKY-UHFFFAOYSA-N 361.427 0.518 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 30582588 NBCOVAHJWGOUGV-WBVHZDCISA-N 372.469 0.219 0 40 FCAB CN(C)C(=O)CN1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 48326402 YKWKSEGOZCRTJV-UHFFFAOYSA-N 372.429 0.297 0 40 FCAB COc1ccc(S(=O)(=O)NCCC(=O)NCc2cc[nH]n2)cc1OC 58244828 HYOQAIVBIXEOGY-UHFFFAOYSA-N 368.415 0.412 0 40 FCAB CNC(=O)N1CCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 72309955 LZFHYDCYOKENMT-AWEZNQCLSA-N 352.341 0.941 0 40 FCAB CCOCCS(=O)(=O)NCC(=O)N1CCN(C)c2ccccc2C1 84802737 SAJCUUCNNYNTJR-UHFFFAOYSA-N 355.460 0.421 0 40 FCAB COC(=O)CN(C)C(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 95349971 PFUSXKMTHSYYGV-CHWSQXEVSA-N 354.403 0.600 0 40 FCAB CC(C)Oc1nnc(SCc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)s1 95460223 OGUJTOXPIQDPGU-UHFFFAOYSA-N 368.444 0.891 0 40 FCAB COCC(=O)NCc1cc(=O)n2c(n1)CN(Cc1cccs1)CCC2 96059637 OASNIWYHKYUXQD-UHFFFAOYSA-N 362.455 0.973 0 40 FCAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(S(=O)(=O)N(C)C)C1 96244485 MAEBZOJEXKQPOW-HNNXBMFYSA-N 355.464 0.131 0 40 FCAB CNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2 101007732 SCRHUIAJSFKJIC-PGUXBMHVSA-N 352.412 0.745 0 40 FCAB CCOCCCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 217642872 PVKYHESAAMZLFN-UHFFFAOYSA-N 372.443 0.926 0 40 FCAB Cc1cc(CNS(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)n(C)n1 227161792 MQXSFBOHMODZRO-UHFFFAOYSA-N 350.400 0.562 0 40 FCAB Cc1nc(C(=O)NCC[C@@H]2CN(S(C)(=O)=O)Cc3ccnn32)cs1 248038784 OBNLBEAGRWWAQA-LLVKDONJSA-N 369.472 0.784 0 40 FCAB CC(=O)NCCCCCC(=O)N1CC[C@@]2(Cc3c(N)nc(N)nc3O2)C1 257232211 GJVVLXPVRBQLLY-QGZVFWFLSA-N 362.434 0.244 0 40 FCAB Cn1c(=O)oc2cc(NC(=O)CN3CC[C@@]4(CCCO4)[C@@H](O)C3)ccc21 257239075 HNWBTIZRBNQJJP-YJBOKZPZSA-N 361.398 0.686 0 40 FCAB O=C(CO[C@H]1CSC2(C1)CN(C(=O)c1cnccn1)C2)N1CCCC1 575402938 FSSIQGXZTIFUAT-CYBMUJFWSA-N 362.455 0.816 0 40 FCAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)C1 582943474 RCFMBFQJBFIKAX-PZWNZHSQSA-N 370.393 0.869 0 40 FCAB Cc1ncncc1C(=O)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 585274516 ZLAKMCDRGSVQDP-UHFFFAOYSA-N 364.408 0.817 0 40 FCAB CO[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@H]1c1cnn[nH]1 622168993 XINDTRMZOSYSFK-DOTOQJQBSA-N 357.414 0.896 0 40 FCAB CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 665355137 KZZONFMSMSQQMI-ZDUSSCGKSA-N 369.443 0.332 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(Cl)cn2)CCO1 681941936 IZAFJZFYYKPBRD-GFCCVEGCSA-N 355.778 0.509 0 40 FCAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3csnn3)CC[C@@H]21 1565548930 MONXAXYXLAJLBG-DYEKYZERSA-N 361.431 0.281 0 40 FCAB CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)C1 1616028940 MDLMZHYVYUNDMD-ZNMIVQPWSA-N 358.485 0.886 0 40 FCAB O=S(=O)(N1CCOCC1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888881859 SGKDHZIMMGCOFT-CYBMUJFWSA-N 368.459 0.632 0 40 FCAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 11904836 LJBCWNRIFHXHQN-LLVKDONJSA-N 358.441 0.784 0 40 FCAB O=C(COC(=O)CNC(=O)c1ccc2c(c1)OCO2)Nc1ncccn1 2662351 YYNFNIYYOHWAQG-UHFFFAOYSA-N 358.310 0.117 0 40 FCAB CN(CC(=O)NCCN1CCOCC1)S(=O)(=O)/C=C/c1ccccc1 23641155 LHGGIQHFTLVFFD-VGOFMYFVSA-N 367.471 0.367 0 40 FCAB Cc1ccc(-n2cnnn2)cc1NC(=O)Nc1ccn(CCC(N)=O)n1 97011051 HXMNFBCZSTUQKI-UHFFFAOYSA-N 355.362 0.687 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2ccc(O)cc2)cc1 11078206 FWDWWHBPXRFIGO-UHFFFAOYSA-N 364.379 0.513 0 40 FCAB C[C@H]1COCCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F 48324080 ISWSUIBXJSMNBM-VIFPVBQESA-N 352.409 0.607 0 40 FCAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)C1=NNC(=O)CC1 6050179 SIROHAYCVXHOPE-UHFFFAOYSA-N 358.354 0.560 0 40 FCAB Cn1cnc2c1c(=O)n(CCCSc1nnc3ccccn13)c(=O)n2C 5902622 AUPKVBPUISJGPA-UHFFFAOYSA-N 371.426 0.659 0 40 FCAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2ccccn2)CC1 8922051 NCLCAYVRJFMXBL-UHFFFAOYSA-N 365.393 0.434 0 40 FCAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1CSCC1=O 9500086 MIPDDVDZAWQOOY-UHFFFAOYSA-N 354.384 0.962 0 40 FCAB CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 95373572 JKBBAYOZBJSGSM-JSGCOSHPSA-N 352.412 0.308 0 40 FCAB CCS(=O)(=O)NCC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 408006819 CCTSCQWZWMXUKY-UHFFFAOYSA-N 360.480 0.112 0 40 FCAB O=S(=O)(NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O)c1ccccc1 77264621 UDFXVZXPZSIPGP-ZACQAIPSSA-N 363.439 0.278 0 40 FCAB biogenic,in-vitro CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)Cn1ccc(O)nc1=O 329023323 MWGZGWQGSDEINF-SUMWQHHRSA-N 374.445 0.224 0 40 FCAB CS(=O)(=O)N[C@H]1COCCC12CCN(C(=O)c1cccnc1)CC2 96219496 ZFCSOWBEGZWQKF-AWEZNQCLSA-N 353.444 0.642 0 40 FCAB Cc1occc1C(=O)N1CC[C@]2(C1)CN(c1cnn(C)c1)C(=O)CN2C 96230542 DOPAWKPZGLBWLE-SFHVURJKSA-N 357.414 0.885 0 40 FCAB CCc1cc(C(=O)N2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)on1 257316180 VELXCJQEYABHSV-ZFWWWQNUSA-N 357.432 0.238 0 40 FCAB COCCN(Cc1ccnn1C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1nccn1C 1615588774 HJBVHDGFRYSUAI-HOCLYGCPSA-N 374.445 0.348 0 40 FCAB COc1ccc(CN2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)cc1 585112807 VNYJLNROUQTQBZ-OAHLLOKOSA-N 350.444 0.998 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cc4cccc(F)c4o3)C2)C1 685941625 DXVKHBUUVMPAIM-LLVKDONJSA-N 359.357 0.991 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cnc(C)nc3C(C)C)C2)C1 685942480 NPZVVQPHJWYWJB-LBPRGKRZSA-N 359.430 0.327 0 40 FCAB O=C1NC[C@]2(CCCN(C(=O)CCn3cnnn3)C2)Oc2ccccc21 12086752 FLTUQJOOJACZRW-KRWDZBQOSA-N 356.386 0.247 0 40 FCAB CN(C)C(=O)c1cnc(N2CCC(CS(N)(=O)=O)CC2)c(Cl)c1 608753305 POHYPEUIPZAYRM-UHFFFAOYSA-N 360.867 0.942 0 40 FCAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)CCc1cccnc1)CCO2 2037985404 IXWUWWJBNWWJOL-IBGZPJMESA-N 361.442 0.879 0 40 FCAB O=C(c1csnn1)N1CCO[C@@]2(COCCN(c3cncnc3)C2)C1 1565549434 RDYXPADSQJYNRD-OAHLLOKOSA-N 362.415 0.076 0 40 FCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OC)C1 40105066 KIWHQKWADJYCFD-OLZOCXBDSA-N 364.464 0.684 0 40 FCAB COC(=O)[C@H]1[C@@H](c2ccc(O)c(OC)c2)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O 3903530 JNDOIVKCAMWRMW-OIPACUDHSA-N 366.366 0.787 0 40 FCAB COc1cccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 4732111 QQGRQMMAWNEWGE-UHFFFAOYSA-N 357.370 0.471 0 40 FCAB CC1(C)[C@H](O)C[C@@H]2[C@](C)(O)[C@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O 5455237 BWMFRQKICHXLSH-SWAGUWGPSA-N 370.486 0.168 0 40 FCAB CN(C(=O)COC(=O)c1ccc(Cl)cc1N)[C@@H]1CCS(=O)(=O)C1 6059991 CWNVHLCRPKLFMZ-SNVBAGLBSA-N 360.819 0.725 0 40 FCAB O=C(CSc1nc2c(cnn2CCO)c(=O)[nH]1)N1CCCCCC1 7417841 DRUSXYJWSJHFHT-UHFFFAOYSA-N 351.432 0.607 0 40 FCAB COc1ccccc1NC(=O)Cn1c(=O)c2c(OC)ccnc2n(C)c1=O 9571597 KMMYFTRIBSSQCG-UHFFFAOYSA-N 370.365 0.751 0 40 FCAB CCNC(=O)CNC(=O)CSc1nnc(NCCCOCC)s1 9952556 BYGSKCYYGNMEME-UHFFFAOYSA-N 361.493 0.721 0 40 FCAB C[C@H](O)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 12883744 LZBURFZSWMUWSF-FISKEMEKSA-N 364.423 0.985 0 40 FCAB biogenic CCn1cc(CN2CCc3nc(N4CCOCC4)nc(O)c3CC2)cn1 19524992 WFADINPYCGUDQI-UHFFFAOYSA-N 358.446 0.836 0 40 FCAB CN1CCc2nc([C@@H]3CCCN(S(=O)(=O)N4CCCC4)C3)ncc2C1 19590485 ZFUBYUBWWLEOPC-CQSZACIVSA-N 365.503 0.985 0 40 FCAB Cc1nnc2ccc(N3CCC(C(=O)NCCN4CCOCC4)CC3)nn12 20745214 FPWVKOVBQRNQFV-UHFFFAOYSA-N 373.461 0.098 0 40 FCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1C(N)=O 22024316 IGZBTXFYWCENBB-UHFFFAOYSA-N 370.475 0.393 0 40 FCAB Cc1noc(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 31997730 RSMCGORKGOIOGC-UHFFFAOYSA-N 364.427 0.762 0 40 FCAB Cn1nnc(-c2ccc(NC(=O)C(=O)NCCc3ccc(O)cc3)cc2)n1 44901996 NBYQRHDAYCHOKE-UHFFFAOYSA-N 366.381 0.880 0 40 FCAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@H](N3CCCC3)C2)CC1 79432629 LDMCUDWKBRSPED-INIZCTEOSA-N 351.495 0.467 0 40 FCAB CN1CCN(C[C@@H]2CO[C@@]3(CCCN(C(=O)c4cn(C)cn4)C3)C2)CC1 96228472 BFWFHSQQVHOJFL-APWZRJJASA-N 361.490 0.679 0 40 FCAB COC(=O)C[C@@H]1CCCCN1C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 195529426 JKRQPJJVYPCBRK-ZWRJDUBHSA-N 360.410 0.738 0 40 FCAB O=C(N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1O)c1ccccn1 257203899 ASDDNPNAEIEMLX-HZPDHXFCSA-N 355.394 0.828 0 40 FCAB O=C(CC1CC1)NCc1cnc2n1CCN(C(=O)[C@H]1[C@H]3COC[C@H]31)CC2 585110614 IWBRMYZAZCPMJA-JLVBRIDZSA-N 358.442 0.577 0 40 FCAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 643432784 ZVZJXNBAHZXUSA-KWBADKCTSA-N 359.350 0.779 0 40 FCAB Cn1cccc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CC2)=NO3)c1=O 1565548280 AQRHBMAZSFDVIO-UHFFFAOYSA-N 358.398 0.415 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@H]2CCN(c3ncccn3)CC[C@H]2C1 2056224710 QPHNPTIXRUQRCR-OKILXGFUSA-N 352.460 0.586 0 40 FCAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)N1CCCC1 5039142 RWOZPRJYXZTNKN-JTQLQIEISA-N 356.400 0.510 0 40 FCAB O=C1NC(=O)c2cc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccc21 5881821 OOSMATIYMSSFNF-UHFFFAOYSA-N 358.335 0.541 0 40 FCAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)N1CCCC1=O 6179902 DYMZAUVVNAAKDI-UVTDQMKNSA-N 355.354 0.672 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(=O)O)C2)cc1 6645526 APBXBIDTOFOEDC-LBPRGKRZSA-N 370.427 0.687 0 40 FCAB COc1ccc(CCNS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC 8024715 JBERXZHZJLJAHU-GFCCVEGCSA-N 363.457 0.353 0 40 FCAB CCOc1ccnc2c1c(=O)n(CC(=O)N1CCC(C)CC1)c(=O)n2C 9571832 GRGHGJVRKPJPAL-UHFFFAOYSA-N 360.414 0.752 0 40 FCAB NS(=O)(=O)c1ccc(CNS(=O)(=O)N2CCCCCC2)s1 12782673 AKCAIAOKPNZUEN-UHFFFAOYSA-N 353.491 0.606 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 13574429 DOMSBGXMTOVLON-AGRWCFHSSA-N 357.410 0.588 0 40 FCAB CNc1ncc(C(=O)N2CCCC[C@@H]2CCNS(=O)(=O)N(C)C)cn1 19749019 VSJQZUSJMCDHEK-CYBMUJFWSA-N 370.479 0.299 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(N)(=O)=O)c2)CC1 29646866 AVPHDAAIIDCYBL-UHFFFAOYSA-N 371.415 0.257 0 40 FCAB CCCn1nc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1=O 36624453 ZKMCDLBUUOITKE-UHFFFAOYSA-N 361.402 0.799 0 40 FCAB C[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 41378934 FESKSQPVJBQUHF-LLVKDONJSA-N 354.428 0.838 0 40 FCAB O=C(NCC(=O)N1CC[C@@H](CN2CCOCC2)C1)c1ccc(F)c(F)c1 76467869 RKKROHCSIKWARI-ZDUSSCGKSA-N 367.396 0.875 0 40 FCAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCCNC(=O)C1CC1 95377671 PRYKQJOUJIJTON-UHFFFAOYSA-N 350.419 0.274 0 40 FCAB O=C(c1cnccn1)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1 96218182 KGGQMKRJVGHANM-AWEZNQCLSA-N 356.386 0.317 0 40 FCAB COc1ccc(CCNc2c(N3CCN(C(C)=O)CC3)c(=O)c2=O)cc1 101702512 VMVQBXISEYHUAP-UHFFFAOYSA-N 357.410 0.614 0 40 FCAB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)no1 102240431 BFLGTHUPNJYAJV-SRVKXCTJSA-N 361.354 0.804 0 40 FCAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(c1ccccc1)S(C)(=O)=O 145555921 CDRJNYAGZPPQSS-LBPRGKRZSA-N 353.444 0.565 0 40 FCAB Cn1cc(CN2CC3(C2)[C@H](COc2ccccn2)CCS3(=O)=O)cn1 248121767 KJOJEJGAUHNZSX-HNNXBMFYSA-N 362.455 0.883 0 40 FCAB CN1CCC[C@H](NC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)C1=O 527972130 NIFVVUYYOXJEAW-AAEUAGOBSA-N 351.428 0.478 0 40 FCAB O=C(CCc1cncnc1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 585110689 RACFGGWWDLQCTP-OAHLLOKOSA-N 352.402 0.556 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3ccc(F)cc3Cl)C2)C1 685941967 KCDUDSZBPNBAAA-SECBINFHSA-N 353.781 0.898 0 40 FCAB O=C(CCc1cncnc1)N1CC[C@H]2CO[C@H](CN3CCOCC3)[C@H]2C1 1565545560 ITIXBPDZAGWRRH-OKZBNKHCSA-N 360.458 0.605 0 40 FCAB CSCc1ccc(C(=O)NC[C@]2(c3nccn3C)NC(=O)NC2=O)cc1 1616034904 DCAFVYWIRGUUMO-QGZVFWFLSA-N 373.438 0.748 0 40 FCAB COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccnc4)CCO3)C2)on1 2055795826 DIRVEUWLDBZPGZ-GOSISDBHSA-N 372.381 0.836 0 40 FCAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3nncn3C)CC2)n1 2087126078 BTNXXSXAYBMNFA-UHFFFAOYSA-N 358.450 0.072 0 40 FCAB CCOC(=O)C1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 3310274 JNFFTUFIVNHFEB-UHFFFAOYSA-N 351.403 0.653 0 40 FCAB CNC(=O)[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 4896906 XBYRBUQFCKKPGX-QVTQBDIJSA-N 373.453 0.494 0 40 FCAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cnn1C 6921756 SUFMKEXVRQCCBI-KGLIPLIRSA-N 370.475 0.424 0 40 FCAB CCOC(=O)C1CCN(Cn2nc(C(=O)NC)c3ccccc3c2=O)CC1 10913055 NIBLATGMIUKSRH-UHFFFAOYSA-N 372.425 0.989 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Cl)cc2F)n(C)c1=O 13027960 BIAWRIQYZJUTFD-UHFFFAOYSA-N 365.752 0.865 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@H]1COc2ccccc2O1 14167960 PUSWQMZCSMCSOT-LBPRGKRZSA-N 368.397 0.822 0 40 FCAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCCC1)c1cccc(F)c1 20465692 CPHKNQPMJRJHCF-LTIDMASMSA-N 352.406 0.531 0 40 FCAB biogenic,in-vitro CS(=O)(=O)N1CCC(C(=O)NCCc2ccc3c(c2)OCO3)CC1 22102479 RKBMLBVUADPRKE-UHFFFAOYSA-N 354.428 0.746 0 40 FCAB COCC(=O)Nn1c(C)cc2c(cnc3nc(C(F)(F)F)nn32)c1=O 38784038 YYULOAJACBLMNU-UHFFFAOYSA-N 356.264 0.483 0 40 FCAB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)NC(N)=O)CC(=O)N2 40400175 AFTHMTNCLDRDSP-ZETCQYMHSA-N 372.341 0.143 0 40 FCAB C[C@H]1CCC[C@@](CNC(=O)c2cn(CC(=O)N(C)C)nn2)(N(C)C)C1 56986414 KIYFQCXUGLLAHT-SUMWQHHRSA-N 350.467 0.607 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C)C2)s1 58305738 KLSIEQQTQUFNGP-GFCCVEGCSA-N 373.500 0.873 0 40 FCAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(C(N)=O)cc1 62720421 BATHDPHODHESKN-UHFFFAOYSA-N 352.354 0.381 0 40 FCAB Cn1cnc(S(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)c1 96025854 XBOZDYACFYZMRN-UHFFFAOYSA-N 357.480 0.919 0 40 FCAB CS(=O)(=O)N1CCOC[C@]2(CN(C(=O)c3cccs3)CCO2)C1 96049891 ORJDWKBDQLXIRF-AWEZNQCLSA-N 360.457 0.251 0 40 FCAB O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3cccnc3)C[C@@H]12)N1CCOCC1 96057241 XNBCGHLJLXDWTC-ZACQAIPSSA-N 359.426 0.665 0 40 FCAB O=S(=O)(C1CC1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96159085 KAIVZCMQVKEIDT-UHFFFAOYSA-N 356.423 0.779 0 40 FCAB CC(C)N(C)C(=O)C1CCN(CC(=O)NCCCN2CCCC2=O)CC1 97287222 UNIJXYVXYDGZMA-UHFFFAOYSA-N 366.506 0.694 0 40 FCAB Cc1cc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)no1 102240421 BFLGTHUPNJYAJV-UTUOFQBUSA-N 361.354 0.804 0 40 FCAB C[C@]1(N2C(=S)S[C@H]3CS(=O)(=O)C[C@]32C)CCS(=O)(=O)C1 215930560 WMKJDMHAWLNELT-INTQDDNPSA-N 355.528 0.453 0 40 FCAB COC[C@H]1CN(C(C)=O)CC12CCN(C(=O)CCS(C)(=O)=O)CC2 247971522 YPIWWZALNHXGLD-CQSZACIVSA-N 360.476 0.155 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2[nH]c3c(OC)cccc3c2C)CCN1C(C)=O 257315694 VCLJRUXVPOAEKM-AWEZNQCLSA-N 372.425 0.904 0 40 FCAB CC(=O)NCC(=O)N1C[C@]2(NC(C)=O)CN(C)CC[C@@H]2[C@H]1c1ccccc1 257330930 XQQFQSCWZJHNCJ-MISYRCLQSA-N 372.469 0.533 0 40 FCAB CN(C)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C4OCCO4)C=C[C@H]3O2)cc1 409301118 ZRRYFYDWDOVLDH-DEXNDLTESA-N 356.378 0.939 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CN(C)[C@H](C(=O)NC1CC(F)(F)C1)CO2 575404306 LIMUULUGNPOFCF-WXHSDQCUSA-N 357.401 0.468 0 40 FCAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3ccn(C)n3)CC2)C1 585104384 ZKBCRACOLJWHAR-OAHLLOKOSA-N 350.463 0.867 0 40 FCAB COc1cc(C(=O)N2CCCn3cnc(Cn4nncc4C)c3C2)on1 1565549328 PGSXTWHPKNNXGY-UHFFFAOYSA-N 357.374 0.874 0 40 FCAB CCN=c1ccnc(N2CCN(CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)[nH]1 2086886977 LEODQSKJMNCFGB-HUUCEWRRSA-N 362.478 0.088 0 40 FCAB Cn1nc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ccc1=O 2086923654 GKQASBHWMZQJCP-UHFFFAOYSA-N 359.411 0.051 0 40 FCAB CO[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3ccc(NC(C)=O)cc3)CO[C@H]12 4222780 SXOACJYHEMKTJF-GBJTYRQASA-N 356.400 0.105 0 40 FCAB biogenic,in-vitro Cn1c(=O)c2nc(SCC(=O)NCc3ccccc3)n(C)c2n(C)c1=O 4570996 BLNINEHICJDGDK-UHFFFAOYSA-N 373.438 0.379 0 40 FCAB COc1cc(S(=O)(=O)N2CCOCC2)c(OC)c2c(C)cc(=O)[nH]c12 4626111 YYRNDRURLJQURS-UHFFFAOYSA-N 368.411 0.875 0 40 FCAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)N1CCC[C@@H](C)C1 5039238 SAKOVNOTCQBLHA-LLVKDONJSA-N 370.427 0.758 0 40 FCAB NC(=O)C1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 5439281 MIWWKCTUIPKZPU-UHFFFAOYSA-N 365.455 0.954 0 40 FCAB CCN1C(=O)NC2(CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O 9660767 XKKWYCOWIFTPKL-UHFFFAOYSA-N 374.397 0.760 0 40 FCAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1C[C@@H](C)C[C@@H](C)C1 10233867 HMXPADBVGRHAJA-BETUJISGSA-N 372.473 0.973 0 40 FCAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2cccs2)C1=O 10803533 PRQQILDCQZSSGD-KRWDZBQOSA-N 372.406 0.976 0 40 FCAB COC(=O)[C@]1(CCSC)N[C@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 12495914 WDARWSXAQTXDTN-XSUJLISDSA-N 352.412 0.820 0 40 FCAB COc1ccc(NC(C)=O)cc1NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 14125975 LUMNIWGARKSKMT-ZDUSSCGKSA-N 369.443 0.711 0 40 FCAB COC(=O)c1ccc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cc1 16117505 WKBGHCGNVSCLRN-UHFFFAOYSA-N 350.396 0.934 0 40 FCAB CN(C)[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1Cl 23192458 GINLAAOYNXMUTD-ZDUSSCGKSA-N 350.806 0.609 0 40 FCAB CC(C)(C)NS(=O)(=O)CC(=O)N1CCN(Cc2ccncc2)CC1 40155394 LSXMTHBIHFUUTP-UHFFFAOYSA-N 354.476 0.444 0 40 FCAB CS(=O)(=O)NCCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 42749381 YEVAQRJPJINMQM-GFCCVEGCSA-N 355.464 0.607 0 40 FCAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)N1CCCC1 58193473 YBJAIHOPJSZGCR-SNVBAGLBSA-N 353.400 0.307 0 40 FCAB O=C(NCCCn1ncccc1=O)[C@@H]1COCC(=O)N1Cc1ccccc1 75164262 REJREPRPIXCVRG-INIZCTEOSA-N 370.409 0.177 0 40 FCAB O=C([C@H]1COCC(=O)N1Cc1cccs1)N1CCC2(CC1)OCCO2 85472524 OMVFSEJODLVTQE-CQSZACIVSA-N 366.439 0.841 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(C(=O)c1cnccn1)CCN(C(=O)C(C)C)C2 96036188 MDSPFTLTJLUASZ-LJQANCHMSA-N 373.457 0.656 0 40 FCAB CS(=O)(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCc3ccccn3)[C@@H]2C1 96043376 QHCZIEHSSFJDDO-QLFBSQMISA-N 353.444 0.384 0 40 FCAB Cc1noc(C)c1CCC(=O)NCCn1nc(-c2ccccn2)n(C)c1=O 96096605 OWGOGTPGBMVYCL-UHFFFAOYSA-N 370.413 0.998 0 40 FCAB COCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccno2)CN(C)C(=O)C1 96113277 ACUZWZXCNOUEPA-CHWSQXEVSA-N 366.418 0.184 0 40 FCAB biogenic,in-vitro CC(C)CNC(=O)[C@@]12CCC3(CCNCC3)[C@@H]1CN(S(C)(=O)=O)C2 96143734 BLWZGCXTMVOFDO-WMLDXEAASA-N 357.520 0.800 0 40 FCAB CS(=O)(=O)NC1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 102616746 DTWKVMODCDKBBX-AWEZNQCLSA-N 351.428 0.332 0 40 FCAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCN(C)C 225005435 SYDITXDPCRNWJJ-HNNXBMFYSA-N 357.476 0.918 0 40 FCAB CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCNS(C)(=O)=O)ncn1 248136073 RSRICXBLQYVCBC-LBPRGKRZSA-N 355.464 0.077 0 40 FCAB Cc1cnc(N2CCOC[C@@]3(CC[C@@H](Cn4ncccc4=O)O3)C2)nc1 306143316 XYOHIBGGGVPREU-MAUKXSAKSA-N 357.414 0.796 0 40 FCAB CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 566496084 OQRACJBDUJHCFG-SWLSCSKDSA-N 365.455 0.037 0 40 FCAB COCCNC(=O)[C@H]1COC2(CN(C(=O)C3CCC3)C2)CN1CC1CC1 575405929 VBYRRKJIRWUKKM-MRXNPFEDSA-N 365.474 0.241 0 40 FCAB Cn1ccc(C(=O)N2Cc3cccn3C[C@H](CCNS(C)(=O)=O)C2)n1 585095524 VDVYHHZUXACVCP-ZDUSSCGKSA-N 365.459 0.433 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(S(=O)(=O)c2ccccc2COC)C1 643696432 SFPRZTMKCVCILG-INIZCTEOSA-N 356.444 0.485 0 40 FCAB CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 665355136 KZZONFMSMSQQMI-CYBMUJFWSA-N 369.443 0.332 0 40 FCAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cn(C)nn5)C[C@@H]4C3)n1)CCC2 1888867056 HWQNXWYKVBNDEG-STQMWFEESA-N 353.430 0.611 0 40 FCAB O=C(NCC1(O)CSCCSC1)C(=O)Nc1ccc2c(c1)OCO2 1889024323 VICHEXMYOIFLKA-UHFFFAOYSA-N 370.452 0.681 0 40 FCAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)c1ccn(C(C)C)n1)CCO2 2037985220 BSGKRZUBDYMPBL-SFHVURJKSA-N 364.446 0.942 0 40 FCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)C2CCC2)CC1 2055746356 SQHLMBFHKLZEGS-UHFFFAOYSA-N 363.462 0.178 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC)cc1 3437603 NCSRZTMVLCGNIK-UHFFFAOYSA-N 371.415 0.330 0 40 FCAB COC(=O)C1=NN[C@]2(C)C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 4831901 ITHDNBAZZIEUGA-XPTSAGLGSA-N 366.171 0.829 0 40 FCAB COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)N2CCOCC2)cc1 5559275 LCPSKHFEVJDZSD-OAHLLOKOSA-N 359.382 0.960 0 40 FCAB COc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)c(OC)c1 6662541 UKUQGHHCAZHWQK-CQSZACIVSA-N 361.398 0.533 0 40 FCAB COc1ccnc2c1c(=O)n(CC(=O)Nc1ccccc1F)c(=O)n2C 9571591 GDOYCEIPVBQHJC-UHFFFAOYSA-N 358.329 0.882 0 40 FCAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N1 9939432 MPXXYVFAPHCBIE-MFKMUULPSA-N 366.395 0.907 0 40 FCAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1C[C@H](C)C[C@@H](C)C1 10233869 HMXPADBVGRHAJA-CHWSQXEVSA-N 372.473 0.973 0 40 FCAB Cc1nnc2ccc(N3CCN(S(=O)(=O)c4cccnc4)CC3)nn12 11696270 ZVWURNZHOHSYRY-UHFFFAOYSA-N 359.415 0.339 0 40 FCAB CC(C)C(=O)N1CCC(c2c(S(C)(=O)=O)cnc3ncnn23)CC1 12118862 BSIWIFYFYRMPIH-UHFFFAOYSA-N 351.432 0.890 0 40 FCAB CC1CCC2(CC1)NC(=O)N(NC(=O)[C@H](C)NC(=O)c1ccco1)C2=O 14095204 SIVCQSLMXNVUDI-GCULGPDHSA-N 362.386 0.930 0 40 FCAB CN1CCc2nc([C@@H]3CCCN(C(=O)[C@H]4CC(=O)N(C)C4)C3)ncc2C1 19590362 SNPQJXQRTZZUMY-KGLIPLIRSA-N 357.458 0.649 0 40 FCAB Cc1nc2c(cnn2-c2ccccc2)c(=O)n1C[C@@H](O)CN1CCOCC1 32809004 XWQKTJWHFDXEBV-INIZCTEOSA-N 369.425 0.584 0 40 FCAB C[C@@H]1NC(C(=O)OCC(=O)NCc2ccco2)=NN(c2ccccc2)C1=O 32810047 NCIVPNXXGMRNDA-LBPRGKRZSA-N 370.365 0.777 0 40 FCAB Cc1cc(C(=O)NC[C@H](O)c2ccccc2F)n2ncc(C(N)=O)c2n1 40155911 LZGNQFLCVXGUDJ-AWEZNQCLSA-N 357.345 0.739 0 40 FCAB COc1ccc([C@@H]2OC[C@H]3O[C@@H](OC)[C@H](NC(C)=O)[C@@H](O)[C@H]3O2)cc1 44169490 BQXAGUXLANKRHQ-NWHWRWDZSA-N 353.371 0.346 0 40 FCAB CCNC(=O)CN1CCN(C(=O)[C@H](c2ccccc2)n2cccn2)CC1 58193970 SNKRSGKRPFIFPP-SFHVURJKSA-N 355.442 0.753 0 40 FCAB COc1cc(CCC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc(OC)c1 58227022 CTOHOFNBBSBLLX-ZDUSSCGKSA-N 350.415 1.000 0 40 FCAB CC(=O)N1CCC(N2C[C@@H]3OCC(=O)N(Cc4ccccn4)[C@@H]3C2)CC1 67897168 ZDUGPFWTUGUBKK-MSOLQXFVSA-N 358.442 0.504 0 40 FCAB biogenic,in-vitro O=C1CO[C@@]2(COCCN(S(=O)(=O)C3CC3)C2)CN1c1ccccn1 96051382 RWFTTWLZLOYVKN-MRXNPFEDSA-N 367.427 0.008 0 40 FCAB CN1CCO[C@@H]2CN(CC(=O)NCCOc3ccc(Cl)cc3)C[C@H]21 107363527 JWZLPUXYLRDVPY-HZPDHXFCSA-N 353.850 0.850 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)COc2ccccc2)Cc2cncn21 247522120 LTNHMRXMOVZZIO-AWEZNQCLSA-N 364.427 0.395 0 40 FCAB Cn1nccc1C(=O)N[C@@H]1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)[C@@H]1O 257308587 TXHJHUAMCMOGNK-QXCFHYIPSA-N 370.453 0.461 0 40 FCAB COc1ncccc1CN[C@@H]1CCOC[C@]12CC(C(=O)NC1CC1)=NO2 306136154 PLBASBYYAKEPMQ-CRAIPNDOSA-N 360.414 0.762 0 40 FCAB COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](COC(C)=O)(O4)[C@@H]3C2=O)c1 409276992 YRLBKEPGXZZNSJ-CUYVQJCZSA-N 371.345 0.849 0 40 FCAB CCS(=O)(=O)N1CCC(Nc2ncc(S(N)(=O)=O)s2)CC1 555934943 BKZACYKEPHCFFS-UHFFFAOYSA-N 354.479 0.017 0 40 FCAB O=C(O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 583650553 HZDOWWDUKASIEG-SNVBAGLBSA-N 367.301 0.906 0 40 FCAB Cn1cnc2c(N3CCN(c4cc(-n5cccn5)ncn4)CC3)ncnc21 1889211654 UAAIHWIIJZQTDO-UHFFFAOYSA-N 362.401 0.666 0 40 FCAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(c3ncccn3)CC2)[nH]1 2055704320 JGDWDZYIUFOABR-UHFFFAOYSA-N 352.402 0.463 0 40 FCAB O=C(Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO)O1)c1ccccc1 644887 PIXHJAPVPCVZSV-FRRDWIJNSA-N 355.354 0.719 0 40 FCAB O=C(O)CCC(=O)N[C@H]1CCN2C(=O)c3ccc(Cl)cc3NC(=O)[C@H]12 8296785 RXSHKOLYRCYKDA-HZMBPMFUSA-N 365.773 0.856 0 40 FCAB biogenic,in-vitro CCOC(=O)N1CCC(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)CC1 13135555 LAQBVXSPDDEIAL-ZBYUQBLASA-N 350.371 0.474 0 40 FCAB COC(=O)c1ccccc1NC(=S)N1CCN(CC(=O)N(C)C)CC1 13684034 UIKVMCDIKGGMAD-UHFFFAOYSA-N 364.471 0.876 0 40 FCAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 24726899 BMOQQTRJZLOOGQ-GFCCVEGCSA-N 367.427 0.429 0 40 FCAB CCN1CCC[C@@H]1CNC(=O)c1nc(CC(=O)Nc2cc(C)on2)no1 40286928 DXRPQUOFBRAAOE-LLVKDONJSA-N 362.390 0.761 0 40 FCAB CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1 58193084 KSCSEZKHOWZDKH-NSHDSACASA-N 353.444 0.772 0 40 FCAB COC(=O)C1=NOC2(CCN(S(=O)(=O)CC[C@H]3CCCO3)CC2)C1 95945732 YTXQQRDXPYKCTC-GFCCVEGCSA-N 360.432 0.669 0 40 FCAB Cc1nnc(N2CCC[C@]3(CN(C(=O)c4csnn4)CCO3)C2)o1 96226660 MCISXVDHXFLJOF-AWEZNQCLSA-N 350.404 0.741 0 40 FCAB CC(=O)N1CCN(c2c(NC[C@H]3COc4ccccc4O3)c(=O)c2=O)CC1 101442265 IHEGZRPOSFHUPM-ZDUSSCGKSA-N 371.393 0.203 0 40 FCAB Cn1cc([C@H]2CCN(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)cn1 127325314 NQEYPGBYBMYNIA-GXTWGEPZSA-N 355.464 0.343 0 40 FCAB COc1ccc(NC(=O)C2(NS(C)(=O)=O)CCCCC2)cc1C(N)=O 225958442 BRZYSSPUNRKHRO-UHFFFAOYSA-N 369.443 0.985 0 40 FCAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3nccn3C)CC2)cn1 257206868 BFGIQRGEEAMCGZ-UHFFFAOYSA-N 356.430 0.941 0 40 FCAB CN(C)C(=O)[C@]1(C)CN(C(=O)c2cncc(-c3cncnc3)c2)CCO1 257296076 RBDCFJGOLWNVQU-SFHVURJKSA-N 355.398 0.858 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CCN(C)c2cccc(C)c2)CCN1C(C)=O 257317975 VLYTVSUIHCXWQS-KRWDZBQOSA-N 360.458 0.627 0 40 FCAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCCN1CCOCC1 408590942 IBAOEOWBPDUFKQ-CQSZACIVSA-N 355.460 0.192 0 40 FCAB CCc1ccccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O 409027365 BGAZUJFJVPQPMA-UHFFFAOYSA-N 367.471 0.739 0 40 FCAB COC[C@@]1(C(N)=O)CCCN1Cc1cccc(S(=O)(=O)N(C)C)c1 643822023 JRNGGSSEOTWFDK-MRXNPFEDSA-N 355.460 0.403 0 40 FCAB CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc2ccccc2o1 644174791 QBKJXKVUCQURRK-GFCCVEGCSA-N 350.396 0.808 0 40 FCAB COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)c1ncnc(C)c1C)CC2 1565552223 QCUDBXUGTQPNNF-CYBMUJFWSA-N 372.429 0.583 0 40 FCAB CN(C)C(=O)COCc1cncc2c1CCN(C(=O)CC1(O)CCC1)C2 1565552911 CSTXUMXGHQXWCX-UHFFFAOYSA-N 361.442 0.876 0 40 FCAB Cc1noc(CC(=O)N2CCn3c(nc(CN4CCCC4)cc3=O)C2)n1 1565554876 ILUBNRUNUUPDBL-UHFFFAOYSA-N 358.402 0.115 0 40 FCAB C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@H]23 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XZDAPIRGMYYAOY-MFKMUULPSA-N 364.427 0.763 0 40 FCAB CCOCCNC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 72301631 HJQBILCITXYICQ-HNNXBMFYSA-N 360.414 0.277 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CCCCCNc2ncccn2)CC1 79482525 DOFDCVIDAJPKRD-UHFFFAOYSA-N 355.464 0.553 0 40 FCAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccn(C)n3)C2=O)cc1 96117949 GZUGFQKIKSNEJB-AWEZNQCLSA-N 371.397 0.920 0 40 FCAB COc1ccc(CCNc2c(N3CCN(C)CC3)c(=O)c2=O)cc1OC 101677801 PMGNOWACYYSTMH-UHFFFAOYSA-N 359.426 0.706 0 40 FCAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(C)CC1 225520098 NMCNLGOYBFPSIG-CYBMUJFWSA-N 355.460 0.624 0 40 FCAB O=C1CCSC[C@H](C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)N1 226753973 VMYOGTBJFZCSLT-CQSZACIVSA-N 363.439 0.719 0 40 FCAB O=C(Cn1ncccc1=O)N[C@H](CN1C(=O)COC1=O)c1ccccc1 238909486 SBZQJOFOXRVSBR-CYBMUJFWSA-N 356.338 0.080 0 40 FCAB COc1cc(N2CC3(C2)CN(CC2CC2)[C@@H](C(=O)N(C)C)CO3)ncn1 248048891 XDFJCPNTUFPUCQ-CQSZACIVSA-N 361.446 0.243 0 40 FCAB CN1C[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)C1=O 511216404 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CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 4104547 KCTUGKGYNYCRST-AAEUAGOBSA-N 363.757 0.979 0 40 FCAB CCOC(=O)c1c(SCC(=O)NC[C@@H]2CCCO2)nc(=O)[nH]c1C 4317624 DWQYQYXMXITRSV-JTQLQIEISA-N 355.416 0.642 0 40 FCAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCCN1Cc1ccccc1 4370754 SWGCMSUIHBIEJK-UHFFFAOYSA-N 369.381 0.392 0 40 FCAB Cc1ccc(C(=O)Nc2nnn[nH]2)cc1S(=O)(=O)N1CCCCC1 10386625 LFXQDPWPKQJQAT-UHFFFAOYSA-N 350.404 0.935 0 40 FCAB CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CC(=O)OC)c(=O)n2C 12231494 PCJQXDPJUXVUHA-UHFFFAOYSA-N 374.401 0.282 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)N[C@H]2CCc3ccccc32)n(C)c1=O 12547231 CYTRVYYGXSOFNI-ZDUSSCGKSA-N 353.382 0.237 0 40 FCAB COCCN1C(=O)C(=O)N(CN2CCN(c3ccc(F)cc3)CC2)C1=O 12549012 PDELMZCKJUWTNV-UHFFFAOYSA-N 364.377 0.342 0 40 FCAB COC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 12874241 PDYPVRKHEWCKFZ-ACJLOTCBSA-N 362.382 0.933 0 40 FCAB COc1ccc(CNS(=O)(=O)c2nnc(NC(C)=O)s2)cc1OC 36182685 MPCWAZLWYQQZQU-UHFFFAOYSA-N 372.428 0.992 0 40 FCAB CCNC(=O)[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)C1 58148256 QAOWBTROVPIHHJ-CQSZACIVSA-N 367.471 0.682 0 40 FCAB COc1cccc(CC(=O)N2CCN(Cc3nnnn3C3CC3)CC2)c1 58216087 XHFKSGFFCGNRKJ-UHFFFAOYSA-N 356.430 0.904 0 40 FCAB O=C(NCC(=O)N1CCC[C@@H](c2nc[nH]n2)C1)c1ccc2c(c1)OCO2 72314339 GKBMWYHUPNMJTC-GFCCVEGCSA-N 357.370 0.669 0 40 FCAB Cn1nc(C(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)ccc1=O 77148359 YQBSINQKSQZRQH-UHFFFAOYSA-N 358.402 0.030 0 40 FCAB NC(=O)c1cc(CNC(=O)Nc2ccc(CCN3CCOCC3)cc2)on1 84398021 GRWQXHPDIMUYLH-UHFFFAOYSA-N 373.413 0.970 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1cc(C)no1)CC2 253600190 JEDKSXJSGJMQPU-ZDUSSCGKSA-N 371.459 0.743 0 40 FCAB CN(C)c1cc(N2CCC[C@](O)(CNC(=O)c3cnn(C)c3)C2)ncn1 257256551 KLYMNKDDWBEDDR-KRWDZBQOSA-N 359.434 0.037 0 40 FCAB O=C(c1ncccn1)N1C[C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 257311226 UIMLOGPYLZEZFO-HUUCEWRRSA-N 356.357 0.868 0 40 FCAB CO[C@H]1CCN(C(=O)C2CCN(CCC(N)=O)CC2)C[C@@]12CCCO2 257327741 XCNGIPBOCFNJJZ-YJBOKZPZSA-N 353.463 0.370 0 40 FCAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cnc(C)nc3C)C2)ncn1 257340427 ZGBAQPXTHVBCPK-GOSISDBHSA-N 356.430 0.953 0 40 FCAB COc1ccc(C(=O)CN([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1OC 575422485 LMZDKNNQJWIQEM-CYBMUJFWSA-N 356.444 0.852 0 40 FCAB Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCC[C@]1(O)CCCOC1 585123409 MSUYJBODVZLNJA-LLVKDONJSA-N 357.354 0.649 0 40 FCAB COC1(CC(=O)N2C[C@@H](N(C)C)[C@@]3(COCC(=O)N(C)C3)C2)CCC1 1565551573 PGTGKKROVLTCCF-RHSMWYFYSA-N 353.463 0.193 0 40 FCAB COCC(=O)N[C@@H]1CN(C(=O)c2cc(C)cc(O)n2)C[C@H]1c1nccn1C 1614627495 LYJMDOBLACDSMR-TZMCWYRMSA-N 373.413 0.200 0 40 FCAB Cn1c(N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc(=O)n(C)c1=O 1775978927 VXLUHRDKNRPLQW-UHFFFAOYSA-N 368.397 0.461 0 40 FCAB O=C1CC[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)CN1 1888834323 DBLMYLMRFNNYOD-JTQLQIEISA-N 357.336 0.670 0 40 FCAB O=C(c1cnn[nH]1)N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888853733 ZUPPOWLBCWXGRS-IUCAKERBSA-N 353.308 0.822 0 40 FCAB CCn1ccc(C(=O)N2CCO[C@]3(COCC(=O)N(C(C)C)C3)C2)n1 2037984985 UJCVQXJWWFXQPX-QGZVFWFLSA-N 350.419 0.381 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 2437507 DEQUOHDWTSQANH-UHFFFAOYSA-N 369.399 0.594 0 40 FCAB Cc1ccccc1Cn1c(N2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C 4316567 ZVMMVPOFKZISJS-UHFFFAOYSA-N 354.414 0.190 0 40 FCAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)ccc1O 9285153 BBOOPCUETNUYLL-UHFFFAOYSA-N 361.339 0.867 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)CC(=O)NC(C)(C)C 12976669 MASLNRXJCCNABL-UHFFFAOYSA-N 361.450 0.629 0 40 FCAB NC(=O)C1CCN(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CC1 14128567 UPMSZPRCHIFWPX-LJQANCHMSA-N 356.426 0.925 0 40 FCAB O=C1CN(C(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)CCN1 14235662 QSGYERVITUIRKM-UHFFFAOYSA-N 364.361 0.251 0 40 FCAB NC(=O)Cn1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1=O 19750115 RBYCPOHVFAJEBK-UHFFFAOYSA-N 351.366 0.831 0 40 FCAB CCCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCN(C)CC1 22579231 CUEWNVOFSDUUGV-KRWDZBQOSA-N 362.474 0.626 0 40 FCAB COCCN(CC(N)=O)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 58201931 YKMBEPUACPGDCY-UHFFFAOYSA-N 358.313 0.967 0 40 FCAB CN(C)CCN1CCC(NC(=O)CCc2nc(-c3ncccn3)no2)CC1 76021810 LLAJJJUBOHFISL-UHFFFAOYSA-N 373.461 0.601 0 40 FCAB COC(=O)Cn1ccnc1CNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 95441815 PMRCGLLJZSPJAJ-LBPRGKRZSA-N 369.385 0.587 0 40 FCAB Cn1ccc(C(=O)N2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)n1 100121253 QCZQRDQAYPUMEU-LRDDRELGSA-N 354.414 0.949 0 40 FCAB O=C(NN1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O)c1ccc(Br)o1 101764267 TWZRJTJYNJRZFB-XYMMMQBSSA-N 355.144 0.849 0 40 FCAB Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@H](CN3CCCC3)C2)c1 306131827 KQJZYQIXUJYREN-CQSZACIVSA-N 350.448 0.458 0 40 FCAB Cc1ccc(Cl)cc1S(=O)(=O)NCCN[C@@H]1CCS(=O)(=O)C1 575425396 DTBZUANUJNLJAQ-GFCCVEGCSA-N 366.892 0.703 0 40 FCAB O=C1CCCN1CC(=O)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585276267 FLPBVVFHYLUVMI-GOSISDBHSA-N 350.390 0.581 0 40 FCAB CCC[C@@H](C(=O)N[C@](C)(CC(=O)OC)c1ccncc1)S(N)(=O)=O 597533075 WCEDBZWUMZSNPK-SWLSCSKDSA-N 357.432 0.433 0 40 FCAB O=C(O)[C@@H](Cc1ccncc1)NS(=O)(=O)c1cccc2c1OCCO2 647928259 IFZAZJNPCBNFNM-GFCCVEGCSA-N 364.379 0.827 0 40 FCAB CC(C)(C)OC(=O)N1CCOC2(CN(C(=O)Cn3ccccc3=O)C2)C1 1565549217 OIIXONPHKUIPFN-UHFFFAOYSA-N 363.414 0.697 0 40 FCAB Cc1nc(C[C@@H]2C(=O)NCCN2Cc2ccccc2)n(-c2ccnn2C)n1 1772819728 QZVUYVDCPYBLLX-MRXNPFEDSA-N 365.441 0.852 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2cccn2C)CC1 2055772987 GJMUXSMGWKQKRY-UHFFFAOYSA-N 359.430 0.616 0 40 FCAB CNC(=O)CNC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 8502100 HSRAKIMUONWPEK-SFHVURJKSA-N 358.398 0.022 0 40 FCAB Cn1c(N)c(C(=O)CSc2ncnc3sccc23)c(=O)n(C)c1=O 9316258 RWBKARRJUKOVPW-UHFFFAOYSA-N 363.424 0.646 0 40 FCAB CCNc1nnc(SCC(=O)N2CCN(S(C)(=O)=O)CC2)s1 9337662 WOERVRKMVORHMU-UHFFFAOYSA-N 365.506 0.166 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1nnc2n1CCC2 12794827 GZMYWLMKFARVIZ-UHFFFAOYSA-N 363.443 0.713 0 40 FCAB COCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 13371436 WDSQTWOUGHPGND-KBPBESRZSA-N 365.448 0.391 0 40 FCAB CN(C)S(=O)(=O)N1CCC(C(=O)NCCN2CCCCCC2)CC1 13677833 ROEBBXBZIWSEOZ-UHFFFAOYSA-N 360.524 0.497 0 40 FCAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 15805424 URJZLRMMKWFFLW-ZYHUDNBSSA-N 373.500 0.849 0 40 FCAB COc1cc(OC)cc(C(=O)N2CCN(CCC(=O)NC(N)=O)CC2)c1 27768634 SMAVDVJGMZNKRZ-UHFFFAOYSA-N 364.402 0.047 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@@H]1CCN(c2ccccc2)C1 31235633 JVVHIGRQVKLJFF-AWEZNQCLSA-N 356.426 0.947 0 40 FCAB COCCNC(=O)CN(CCc1ccccc1)CC(=O)NCCOC 32831206 JNNPUOIYFYCSJW-UHFFFAOYSA-N 351.447 0.056 0 40 FCAB Cn1c(CN[C@H](CN2CCOCC2)c2ccccc2)cc(=O)n(C)c1=O 32865651 CFTWPDFZVIVPHB-QGZVFWFLSA-N 358.442 0.247 0 40 FCAB NC(=O)CN1CCC(NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 48275136 OJYHBLKOHIUDBF-UHFFFAOYSA-N 351.472 0.793 0 40 FCAB CC(C)n1c(=O)n(CC(N)=O)c2c(C(N)=O)nc(-c3cccs3)nc21 57740157 PCFRZNUHWQIVSK-UHFFFAOYSA-N 360.399 0.487 0 40 FCAB O=C(NCCN1CCS(=O)(=O)CC1)c1c[nH]nc1-c1ccc(F)cc1 58161485 ZGIHEAAUALCAJM-UHFFFAOYSA-N 366.418 0.676 0 40 FCAB COc1ccc(CC(=O)N2CCN(Cc3nnnn3C3CC3)CC2)cc1 58246467 PRZDFXRLILTYJS-UHFFFAOYSA-N 356.430 0.904 0 40 FCAB Cc1cccc(OCCNC(=O)Cn2c(-c3ncccn3)noc2=O)c1 58442003 RKMJKRWRFGQMOO-UHFFFAOYSA-N 355.354 0.797 0 40 FCAB CC(C)Oc1ccc2nnc(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2n1 72405198 XWYPTOVWKJORCW-LLVKDONJSA-N 367.431 0.147 0 40 FCAB COC(=O)C1CCN(C(=O)[C@@H](OC(=O)[C@H]2CCC(=O)NC2)C(C)C)CC1 95369355 PQSMTSVNWPYQQV-ZFWWWQNUSA-N 368.430 0.492 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@@]2(CNC(=O)C2)C1 96143289 KGNZRVKTVGRUTJ-INIZCTEOSA-N 351.428 0.046 0 40 FCAB Cc1ccoc1C(=O)N1CCCn2c(nc(Cn3cncn3)cc2=O)C1 96197597 FNBKLJQCSJPHMT-UHFFFAOYSA-N 354.370 0.831 0 40 FCAB COC(=O)C1=NN(CCC(C)=O)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 100937446 QJLIZBFWQTUGDK-DZGCQCFKSA-N 357.366 0.677 0 40 FCAB Cc1cccc(OC[C@@]2(CNC(=O)c3cc(C)on3)C[C@H](O)[C@H](O)C2)n1 107430212 NDJNJMSAXNYNMD-JLVBRIDZSA-N 361.398 0.997 0 40 FCAB biogenic,in-vitro CN1CCC(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)CC1 113946804 FXUZISQKQPRFTP-UHFFFAOYSA-N 372.466 0.649 0 40 FCAB CN(C)c1nccnc1[C@@H]1CN(C(=O)CCn2ccccc2=O)CCO1 257200477 ADNAAYXTXUYTBB-AWEZNQCLSA-N 357.414 0.695 0 40 FCAB COc1cccc(O[C@@H]2C[C@@H](n3cc(C(=O)O)ccc3=O)[C@H](O)[C@H]2O)c1 257283122 OWVUMVUWLJMGKT-JHNDHUHGSA-N 361.350 0.669 0 40 FCAB NC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(O)CC1 257298307 RLDKKNSWYMBHJL-WCVJEAGWSA-N 353.394 0.200 0 40 FCAB CNc1cc(C(=O)N2CCOC[C@](O)(COc3ccccc3)C2)ccn1 585278769 VEFRTJMOFBCBNE-IBGZPJMESA-N 357.410 1.406 0 40 FCAB Cn1cc(O[C@@H]2CN(CC(=O)N3CCc4ccccc4C3)C[C@H]2O)cn1 625619747 FLJJHSZEXAGSQG-QZTJIDSGSA-N 356.426 0.429 0 40 FCAB COCCN1CCCC2(CCN(C(=O)c3cccn(C)c3=O)CC2)C1=O 1565544723 OTFUODZMMIVZOZ-UHFFFAOYSA-N 361.442 0.877 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@@H]2C1 1614928890 HRPJAEIIYLPBIX-BXUZGUMPSA-N 355.416 0.284 0 40 FCAB COCCn1cnc2c(N3C[C@@H]4CN(C(=O)NC(C)C)C[C@H]4C3)ncnc21 1888883418 KZDAQAQYFGPJPI-ZIAGYGMSSA-N 373.461 0.959 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc2c(c1)OCO2 2951917 JPBACHVFCWZUNM-UHFFFAOYSA-N 353.334 0.735 0 40 FCAB C[C@@H](C(=O)N1CCc2ccccc21)n1cnc2c1c(=O)n(C)c(=O)n2C 4829838 CPSJJZABRCEAOL-NSHDSACASA-N 353.382 0.584 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)O)cc1 5258045 SPOALIJNLORQAR-ZDUSSCGKSA-N 367.383 0.499 0 40 FCAB CCOC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 5504780 XEIJQBZMAGUOOB-UHFFFAOYSA-N 356.400 0.518 0 40 FCAB NC(=O)CCS(=O)(=O)CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 8708748 KKMVIBUDEKXZKX-AWEZNQCLSA-N 368.455 0.885 0 40 FCAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc2nnnn2n1 8721177 KZMXWCWFDDHFSC-UHFFFAOYSA-N 368.401 0.431 0 40 FCAB CCOc1ccnc2c1c(=O)n(CC(=O)NCc1ccco1)c(=O)n2C 9571900 NCAGHQFVJZFNLR-UHFFFAOYSA-N 358.354 0.403 0 40 FCAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NC1CC1 11904682 JTVIMJFSKFXNFR-UHFFFAOYSA-N 358.441 0.811 0 40 FCAB O=C(CS[C@@H]1CCc2ccccc2NC1=O)N[C@H]1CCS(=O)(=O)C1 12407209 UHQXLYBICSODPZ-GXTWGEPZSA-N 368.480 0.976 0 40 FCAB C[C@H]1CN(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)C[C@H](C)O1 12901802 YOEHPXHLAYVACY-IUCAKERBSA-N 361.320 0.602 0 40 FCAB CC(C)[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccs1 14019929 CUYIGDXMTBKNFO-LBPRGKRZSA-N 357.457 0.821 0 40 FCAB Cc1ccc(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc1 21420226 CGFSYRYJVSZYKE-UHFFFAOYSA-N 360.458 0.410 0 40 FCAB CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 25374667 GJOTUJTYJVXFAM-YPMHNXCESA-N 374.484 0.680 0 40 FCAB Cn1ncc2c(N3CCN(S(=O)(=O)c4cccnc4)CC3)ncnc21 25568314 LWKGNEMZSYXLNZ-UHFFFAOYSA-N 359.415 0.269 0 40 FCAB CCc1noc(CN2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n1 29523263 NROLQFDLQSJKOH-UHFFFAOYSA-N 354.414 0.958 0 40 FCAB COCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375173 WGFCRLFNEGONIT-BKEDOTJMSA-N 373.384 0.699 0 40 FCAB COCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35877103 VTKFJXWTHNXJPM-BKEDOTJMSA-N 355.394 0.560 0 40 FCAB CCC(CC)[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCOCC1 47595263 RAZZXXCUSHGDLK-HUUCEWRRSA-N 361.508 0.610 0 40 FCAB Cn1c(=O)[nH]cc(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)c1=O 77099298 YBLFBJMAFWGSLJ-UHFFFAOYSA-N 366.780 0.829 0 40 FCAB CC(=O)NCC(=O)NCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 77140488 QCCRHMZYTOAWDF-OAHLLOKOSA-N 360.458 0.362 0 40 FCAB C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCCn2cccn2)CC1 87055779 WTBVFCHPRJOADW-INIZCTEOSA-N 362.478 0.611 0 40 FCAB Cc1cc(NC(=O)C(=O)NCCc2cccc(O)c2)n(-c2ncccn2)n1 95461390 RUEPCXWUBCRTMC-UHFFFAOYSA-N 366.381 0.974 0 40 FCAB CC(=O)NCC(=O)N1CC[C@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96053564 DHTSDEVXLXOVAC-LJQANCHMSA-N 373.457 0.743 0 40 FCAB Cn1cnc(S(=O)(=O)N2CC[C@@]3(CCCN(c4ncccn4)C3)C2)c1 96216893 DQOQRCRWYPSEMA-MRXNPFEDSA-N 362.459 0.891 0 40 FCAB COC(=O)c1ccc(-n2nnn([C@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)cc1 103005428 ADFLCQGWUFAUMK-SUHUHFCYSA-N 362.367 0.840 0 40 FCAB Cc1cccc(OC[C@@]2(CNC(=O)N3CCOCC3)C[C@H](O)[C@H](O)C2)n1 107430241 HBNAPDANQLNKCE-JLVBRIDZSA-N 365.430 0.313 0 40 FCAB biogenic,in-vitro CN(C)c1cncc(O[C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)n1 225406305 VOEGLJXNGMSTMW-LBPRGKRZSA-N 358.402 0.815 0 40 FCAB CN(C)c1cc(N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)ncn1 248146790 VZHBUZVUFUTDSY-CQSZACIVSA-N 366.487 0.963 0 40 FCAB CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(C(=O)c3ccccc3)CCN21 253403433 PVLNWOMKSIQYEB-HNNXBMFYSA-N 351.472 0.867 0 40 FCAB biogenic,in-vitro CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)c3cncs3)C2)CC1 257304844 SNJONHDTGCNRPB-MRXNPFEDSA-N 352.460 0.321 0 40 FCAB O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CCN(Cc3cccnc3)C1)C2 306133272 MHAPKLCSXLBMDO-LJQANCHMSA-N 369.425 0.385 0 40 FCAB O=C(NCCn1cncn1)c1ccccc1S(=O)(=O)N1CCCCC1 507671568 UPDSYRKDEMMMHH-UHFFFAOYSA-N 363.443 0.883 0 40 FCAB O=C(NCC[C@H]1CCOC12CN(S(=O)(=O)C(F)(F)F)C2)C1CC1 575404166 QDZCZNCLTYCUKH-JTQLQIEISA-N 356.366 0.843 0 40 FCAB CC1CC(C(=O)N2CCN3CCn4c(C(=O)NC5CCC5)nnc4[C@@H]3C2)C1 585109926 OTQZYIWZOXWMQN-PIMMBPRGSA-N 372.473 0.805 0 40 FCAB Cn1cc(CN2Cc3ccnn3[C@@H](CNS(=O)(=O)C3CC3)C2)cn1 585111648 DYIOHGBHGCWTFE-AWEZNQCLSA-N 350.448 0.255 0 40 FCAB CS(=O)(=O)N=S1(=O)CCN(C(=O)Nc2cnc(C3CC3)nc2)CC1 585138630 SNKOAWDSKYBLIM-UHFFFAOYSA-N 373.460 0.629 0 40 FCAB Cn1cnc2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)ncnc21 599436087 WSMSGWAJIQPJLS-UHFFFAOYSA-N 358.427 0.874 0 40 FCAB COC(=O)[C@@H]1CCc2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C1 601045187 TVTMHGXQNXGNOT-GFCCVEGCSA-N 364.427 0.931 0 40 FCAB C=CC(=O)Nc1cccc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)c1 1520921894 MAGIESPVSZHGAW-QFBILLFUSA-N 359.426 0.767 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(COCCN(c3cnccn3)C2)C1 1565544450 LGOLNMLUKPEZFS-MGTHKWJCSA-N 358.442 0.814 0 40 FCAB CCn1cnc2c(N3CCN(c4ncnc5c4ncn5C)CC3)ncnc21 1888918133 FSQCYRRNXUNCET-UHFFFAOYSA-N 364.417 0.850 0 40 FCAB COc1cc(C(=O)N[C@@H]2CCOC[C@@]23CC(C(=O)NC(C)C)=NO3)on1 2055793401 XNZQUTUZQTUPLT-WBMJQRKESA-N 366.374 0.242 0 40 FCAB CNC(=O)c1nn(C)cc1NS(=O)(=O)c1c(C)nn(C(F)F)c1C 2804333 UTYJJDCOIPMHAT-UHFFFAOYSA-N 362.362 0.789 0 40 FCAB COC(=O)[C@H]1[C@@H](c2ccc(O)c(OC)c2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O 3903529 JNDOIVKCAMWRMW-AFIMGQEJSA-N 366.366 0.787 0 40 FCAB CC1=C(C(N)=O)[C@@H](c2ccc3c(c2)OCO3)N2NC(CCCO)=NC2=N1 4294260 PSHBMOISPANOCB-OAHLLOKOSA-N 357.370 0.577 0 40 FCAB COCCCn1c(=O)c2ccccc2n(CC(=O)N2CCOCC2)c1=O 4999977 MJMJNRVDSCABFZ-UHFFFAOYSA-N 361.398 0.059 0 40 FCAB Cn1nnc2c(N3CCN(C(=O)NCc4ccc(F)cc4)CC3)ncnc21 13534795 QOSWLUNTXZSALE-UHFFFAOYSA-N 370.392 0.929 0 40 FCAB CCNC(=O)C1=CC(c2ccc(OC)c(OC)c2)=NS(=O)(=O)N1C 20608883 YQHGHUUZEBWXMF-UHFFFAOYSA-N 353.400 0.703 0 40 FCAB O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 22609808 JTTIDSKNFCKHIV-QWHCGFSZSA-N 358.485 0.672 0 40 FCAB CNC(=O)CN1CCC(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)CC1 31126895 CWGFKVHEROGBFX-GFCCVEGCSA-N 362.430 0.986 0 40 FCAB COc1cc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc(OC)c1OC 58088939 XLSMVGRDCLJYOJ-LBPRGKRZSA-N 372.443 0.866 0 40 FCAB COCCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 113943345 CYNZZSKULZZKOS-UHFFFAOYSA-N 358.416 0.724 0 40 FCAB C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1 580832344 XYKAMRMZWBNCOL-SSDOTTSWSA-N 355.821 0.750 0 40 FCAB CCCS(=O)(=O)N1CCn2cc(C(=O)N3CCOCC3)nc2[C@H]1C 585096366 KGTSUEULXPKPGG-GFCCVEGCSA-N 356.448 0.472 0 40 FCAB CN(C)C(=O)[C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)c3ccnc(F)c3)C[C@@H]21 585108133 WVRWWQKOAKUENM-JHJVBQTASA-N 369.418 0.184 0 40 FCAB COC(=O)[C@H](NC(=O)COCc1nccn1C)c1ccc(OC)c(O)c1 597525608 ZDBQUKPTSYCXAR-MRXNPFEDSA-N 363.370 0.681 0 40 FCAB CS(=O)(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3F)C2)C1 604381051 CSJWZKNORIBBEB-OAHLLOKOSA-N 369.462 0.356 0 40 FCAB biogenic,in-vitro O=C(NC1CC1)C1=NOC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 1565545437 IMINLAZLXLMWFQ-UHFFFAOYSA-N 358.398 0.264 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@@H](NC(=O)c1ncnc(C)c1C)CC2 1565555457 IGZKOZMYXNRHNQ-ZDUSSCGKSA-N 372.429 0.411 0 40 FCAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)[C@@H]5CCCCO5)C[C@H]4C3)nn12 1888850299 AQUVOUQPXSGXGY-ZNMIVQPWSA-N 356.430 0.896 0 40 FCAB Cn1cnc2c(N3C[C@H]4CN(C(=O)[C@H]5CCCCO5)C[C@H]4C3)ncnc21 1888868597 LZDLBGFQBGCZFJ-HZSPNIEDSA-N 356.430 0.827 0 40 FCAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)CN2CCOCC2)C1 2055746441 FTXXYMGJAPBHGC-SFHVURJKSA-N 364.421 0.287 0 40 FCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2nc3nc(C)cc(C)n3n2)C1 717369 IGMCCPGLKSRAJU-GFCCVEGCSA-N 367.431 0.705 0 40 FCAB CCOC(=O)CS(=O)(=O)c1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 2221148 NNDVQEBICSMISJ-QMMMGPOBSA-N 363.392 0.992 0 40 FCAB CCOC(=O)N1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1 4089013 VUJYKYFIHXDEBH-UHFFFAOYSA-N 352.416 0.700 0 40 FCAB O=c1[nH]cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(=O)[nH]1 4495760 FBFUQKZXMMDFMC-UHFFFAOYSA-N 364.152 0.766 0 40 FCAB C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 4964098 BCJMNZRQJAVDLD-KTZJUHBXSA-N 351.399 0.165 0 40 FCAB CCOc1ncccc1C(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 6547714 STTONBFIDLBHEX-LBPRGKRZSA-N 370.427 0.673 0 40 FCAB CN(C)S(=O)(=O)c1cccc(C(=O)NCc2nnc3ccccn23)c1 7898582 DBLGCEWGCLBRBT-UHFFFAOYSA-N 359.411 0.910 0 40 FCAB COc1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc(OC)c1OC 11694028 PJJQSJDQIDAPLX-UHFFFAOYSA-N 363.370 0.527 0 40 FCAB CCn1nnc2c(=O)n(CC(=O)Nc3ccc(NC(C)=O)cc3)cnc21 13531480 IOZNQNIIOYCRJR-UHFFFAOYSA-N 355.358 0.605 0 40 FCAB CCOc1ccc(NC(=O)CSc2ncc(CO)n2CC(N)=O)cc1 17307884 OVNJFUYSIZJVQN-UHFFFAOYSA-N 364.427 0.990 0 40 FCAB CCn1c(=O)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccc(OC)cc32)c1=O 20757769 INQLFKGBUMGETM-HNNXBMFYSA-N 356.382 0.987 0 40 FCAB biogenic CNC(=O)c1ccc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)cc1 21759764 QMOLWERWRYEOOD-AWEZNQCLSA-N 356.444 0.910 0 40 FCAB CCCNC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 22023919 SDBQMORCRXDRHB-UHFFFAOYSA-N 356.448 0.051 0 40 FCAB CN(C)C(=O)[C@@H]1CCCN1CCC(=O)N1CCN(c2ncccn2)CC1 32778039 SIMKUVNRZKPUEU-HNNXBMFYSA-N 360.462 0.068 0 40 FCAB O=CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 36569558 CROJZAODRZRNFK-GOSISDBHSA-N 366.421 0.723 0 40 FCAB CC[C@@H](C)NC(=O)CCNC(=O)CCNS(=O)(=O)c1cccs1 58214796 BRHVUCDZBPPHOI-LLVKDONJSA-N 361.489 0.838 0 40 FCAB O=C(C[C@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc2cc[nH]c2c1 72406509 ZEVRELHDTQBFGQ-OAHLLOKOSA-N 374.441 0.807 0 40 FCAB Cc1cc(S(=O)(=O)NCCCN2CCNC(=O)C2)ccc1OC(C)C 95454400 HDATUWCAENPIPI-UHFFFAOYSA-N 369.487 0.882 0 40 FCAB CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1c(C)nn(C)c1C)CC2 95972910 NIRWEHNSYHBWRU-KGLIPLIRSA-N 357.476 0.978 0 40 FCAB O=C([C@@H]1C[C@@H]2CCN(CCN3CCCCC3)C[C@@H]2O1)N1CCOCC1 96065474 UYMKMDPSQKQUPC-BZSNNMDCSA-N 351.491 0.811 0 40 FCAB Cn1ccnc1CN1CCOC[C@]2(C[C@H](CNc3cnccn3)CO2)C1 96078492 WBXSBKPKHYSSKU-QAPCUYQASA-N 358.446 0.930 0 40 FCAB COc1ncccc1C(=O)N1CCC(S(=O)(=O)c2nncn2C)CC1 96104207 BOTLENSCPBHRJR-UHFFFAOYSA-N 365.415 0.297 0 40 FCAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cc(C(C)=O)ccc3OC)C(=O)[C@H]12 100166179 TXIBPILFQLURGF-STQMWFEESA-N 359.338 0.278 0 40 FCAB Cc1nn(C)cc1CN1CCN(C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1 101616349 MZTPUDTWMWKCCL-DIECFANBSA-N 358.442 0.896 0 40 FCAB CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](CCOCC2CCOCC2)C1 247985471 YYPAXDXZPHGGOW-MRXNPFEDSA-N 372.491 0.880 0 40 FCAB CN(C)c1cc([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)ccn1 257264719 LVTYQYUQZAGBBP-OAHLLOKOSA-N 354.476 0.904 0 40 FCAB N[C@@H](CCC(=O)N1C[C@@H](O)[C@@H](Cc2ccnc3cccnc23)C1)C(=O)O 257308748 TXYCYBLDIGFJPV-KCQAQPDRSA-N 358.398 0.184 0 40 FCAB CCOc1ncccc1C(=O)N(C)C[C@]1(O)CCN(c2cnccn2)C1 257322416 WFWXFSUORBRUKQ-GOSISDBHSA-N 357.414 0.984 0 40 FCAB O=C(NCCN1C(=O)c2cccnc2C1=O)c1cnn(-c2ccccc2)n1 390828908 CEXWIGKKYASARY-UHFFFAOYSA-N 362.349 0.688 0 40 FCAB NC(=O)CS(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1csc(Br)c1 528985960 MHSIBQKTONGAKB-NKWVEPMBSA-N 367.246 0.545 0 40 FCAB CCc1cc(C(=O)NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)no1 585272465 NQQUSGAWSBEROD-UHFFFAOYSA-N 351.340 0.687 0 40 FCAB O=C(CCN1CCOCC1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585273403 UMPNCIONXFYRMT-SFHVURJKSA-N 352.406 0.890 0 40 FCAB COCCOc1ccccc1CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C 644313031 BJCYPOORIBWXOZ-HNNXBMFYSA-N 359.430 0.742 0 40 FCAB Cn1cncc1CN1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@H]2C1 1549160436 CRUGSRJDGUFUPB-MRXNPFEDSA-N 373.457 0.828 0 40 FCAB Cc1snnc1C(=O)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 1565541666 MIBMYAOUTMNKEG-YVEFUNNKSA-N 373.438 0.899 0 40 FCAB Cc1cnc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)cn1 1888904330 WXNNEBKPSBMSSN-BETUJISGSA-N 364.413 0.670 0 40 FCAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(=O)n(C)n1 7723359 IWTOKWVTSMKLKA-UHFFFAOYSA-N 366.399 0.292 0 40 FCAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)NC(=O)CO2 12852788 XXNXJPCSFIOBAY-UHFFFAOYSA-N 366.333 0.659 0 40 FCAB COCCn1c(N)c(C(=O)CN(C)Cc2cccs2)c(=O)[nH]c1=O 12926109 UNEMROBIAMTNGT-UHFFFAOYSA-N 352.416 0.141 0 40 FCAB O=S1(=O)C[C@H](NCc2ccncc2)[C@@H](S(=O)(=O)c2ccccc2)C1 13371271 SGFNNLMYAKLKRZ-HOTGVXAUSA-N 366.464 0.811 0 40 FCAB Cc1ccc(C(=O)N2CCN(C=O)CC2)cc1S(=O)(=O)N1CCCC1 13671329 KQMPOVARDBWCFS-UHFFFAOYSA-N 365.455 0.694 0 40 FCAB COc1ccc(NC(C)=O)cc1NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 14125972 LUMNIWGARKSKMT-CYBMUJFWSA-N 369.443 0.711 0 40 FCAB COc1cccc2c1[C@H](O)[C@]1(O)C=CC3=C(C(=O)C[C@H](C)[C@@H]3O)[C@@H]1[C@@H]2O 14850585 XMXBNUIKCGPIAR-CPRFOSPCSA-N 358.390 0.959 0 40 FCAB biogenic O=C(N[C@H]1CCS(=O)(=O)C1)C1CCN(c2ccc(Cl)nn2)CC1 30805368 ZZCZYDYHVYSCTJ-NSHDSACASA-N 358.851 0.650 0 40 FCAB COc1ccc(C(=O)O[C@H]2C[C@@H](C)OC2=O)cc1S(=O)(=O)N(C)C 32736519 PZMACRKXHZOVPK-SKDRFNHKSA-N 357.384 0.806 0 40 FCAB Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c1C(N)=O 32859744 BBVJIXYGIAESLJ-UHFFFAOYSA-N 357.366 0.974 0 40 FCAB CN1CCC(NC(=O)c2cn(C)nc2C(=O)NC2CCN(C)CC2)CC1 36617958 DIYFGEGGPYEMKW-UHFFFAOYSA-N 362.478 0.068 0 40 FCAB C[C@]1(NC(=O)COc2ccc(N3CCCC3=O)cc2)CCS(=O)(=O)C1 40012841 HZMKUZBJQJPMJM-KRWDZBQOSA-N 366.439 0.886 0 40 FCAB CC(=O)N1CCCN(C(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)CC1 57992200 DBGNSVFKHNXUPQ-QGZVFWFLSA-N 374.420 0.985 0 40 FCAB CCNC(=O)CSc1nnc(N2CCOCC2)n1CC(F)(F)F 58209274 VHLBUDBBSIGRPN-UHFFFAOYSA-N 353.370 0.905 0 40 FCAB COCCCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 58245827 BGJWUICPWIJATR-QGZVFWFLSA-N 361.442 0.287 0 40 FCAB COCc1nnc(NC(=O)Cn2nc3c(cc2=O)CSCC3)s1 71284302 CNDYWUREDSBRRN-UHFFFAOYSA-N 353.429 0.669 0 40 FCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1cccc(O)c1 72401815 YQXLTUIESDEUBP-UHFFFAOYSA-N 356.386 0.653 0 40 FCAB O=C(c1ccco1)N1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1 96160715 DPSMUIYKWWVXMQ-KDOFPFPSSA-N 359.382 0.927 0 40 FCAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccccn3)CC2)O1 96263057 UDAZTXRSRWQGOW-CQSZACIVSA-N 355.398 0.554 0 40 FCAB Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc(C(N)=O)c3)CCO2)cn1 97012816 OMTYFCPOBUSFST-AWEZNQCLSA-N 350.400 0.281 0 40 FCAB CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCCn2ncnc21 97013341 VHIDLQPXPYQIMI-JTQLQIEISA-N 356.429 0.495 0 40 FCAB CCOC(=O)c1c[nH]c2nc(N3CCN(c4ccccc4)CC3)nn2c1=O 102899968 RJYDZWHYBBOHPY-UHFFFAOYSA-N 368.397 0.921 0 40 FCAB Cn1cnc(S(=O)(=O)N2CCC[C@]3(C[C@@H](n4cnnc4)CO3)C2)c1 107787793 KMMPEWNMMAXQGV-OCCSQVGLSA-N 352.420 0.197 0 40 FCAB Cc1c[nH]c(-c2nccnc2C[C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257212283 CCQVCRIYVNXFLH-GFCCVEGCSA-N 350.448 0.846 0 40 FCAB Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257244102 IJVRDYNLCAYPJS-JFIYKMOQSA-N 351.447 0.907 0 40 FCAB COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)Cc2cccs2)[C@H]1O 514289127 VFBITSDBTCYFDY-VWNJHIHFSA-N 354.472 0.646 0 40 FCAB biogenic,in-vitro COC(=O)CCc1nnc(NC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4OC)s1 554255238 QCDMEWUROSJCJL-IJPSMNBWSA-N 366.443 1.531 0 40 FCAB CCN1CCO[C@@H](CNC(=O)c2ccn(C)c(=O)c2)[C@@H]1c1cnn(C)c1 618143794 CPVRMHCKHPDDFK-RDJZCZTQSA-N 359.430 0.311 0 40 FCAB Cc1cc(F)cc(S(=O)(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1 625311400 BBWUUQOXCSBQOY-HUUCEWRRSA-N 355.391 0.680 0 40 FCAB CS(=O)(=O)N1CCO[C@H]2CCN(C(=O)c3cc(C4CC4)on3)C[C@@H]21 1565544150 QBUFTWFDXTXHKY-STQMWFEESA-N 355.416 0.427 0 40 FCAB COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)Cc2ccc(F)cn2)O1 1565548500 DZCHYVKSHOAHPG-BZUAXINKSA-N 365.405 0.674 0 40 FCAB CC(C)NC(=O)c1nnc2n1C[C@]1(CCN(C(=O)C3(F)CCC3)C1)OC2 1614936594 DGTBBZYTJWQYCB-MRXNPFEDSA-N 365.409 0.810 0 40 FCAB O=C([C@@H]1CN(c2cc(=O)n3ccccc3n2)CCO1)N1CCSCC1 1888857049 YBWHQMJWEHHIMQ-ZDUSSCGKSA-N 360.439 0.475 0 40 FCAB CC(=O)[C@@H](C)n1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 808464 BWDFMELJDICVBG-GFCCVEGCSA-N 361.446 0.816 0 40 FCAB O=C(NCCCO)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 5152800 AVIHTUFPXSFQOW-MRXNPFEDSA-N 357.410 0.998 0 40 FCAB CCOCCN1C(=O)[C@](O)(c2c(C)nn(CCO)c2N)c2ccccc21 7716245 SBKKOPYLTVRRPG-GOSISDBHSA-N 360.414 0.385 0 40 FCAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1 8223234 CYRRFVAXBRFLTJ-SNVBAGLBSA-N 373.862 0.731 0 40 FCAB COCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 8996021 VTKFJXWTHNXJPM-XMDUPGNXSA-N 355.394 0.560 0 40 FCAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)N[C@H]1CCS(=O)(=O)C1 9457124 ZYPXGDHCVMTSEF-QMMMGPOBSA-N 358.470 0.972 0 40 FCAB O=C1OCC[C@H]1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12910769 ASIPNEAOKSPEDM-CYBMUJFWSA-N 368.411 0.080 0 40 FCAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(c2ncccn2)CC1 14075295 ZAUHMIKBSDWULV-HUUCEWRRSA-N 371.441 0.691 0 40 FCAB Cn1c(=O)c2c(nc3n(CCO)c(COc4ccccc4)cn23)n(C)c1=O 15109606 LCOQURNIURLGGL-UHFFFAOYSA-N 369.381 0.258 0 40 FCAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccn1 20720441 TZSVZSUTKPIKHX-CQSZACIVSA-N 352.394 0.981 0 40 FCAB O=C(C[C@H](NCCCN1CCOCC1)C(=O)O)Nc1cccc(O)c1 24148213 XVDMWNKROVPUKH-HNNXBMFYSA-N 351.403 0.486 0 40 FCAB CCOC(=O)C[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1cccc(OC)c1 55537776 ANTMWYFSMHPJNK-CQSZACIVSA-N 372.443 0.697 0 40 FCAB COc1ccc(Cl)cc1CC(=O)NCCN1CCS(=O)(=O)CC1 62640099 VLVGHABLWILPFM-UHFFFAOYSA-N 360.863 0.738 0 40 FCAB COc1ccc(C(=O)N2CCC3(CC2)O[C@H](C(N)=O)Cn2ccnc23)cc1 96144774 CNCBCUZATLLGCE-HNNXBMFYSA-N 370.409 0.907 0 40 FCAB Cn1ccc(C(=O)N2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)n1 100121247 QCZQRDQAYPUMEU-MLGOLLRUSA-N 354.414 0.949 0 40 FCAB CC(=O)[C@@H](C)n1c(CN2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C 101298123 MQKAQMACPRDHFY-NWDGAFQWSA-N 361.446 0.958 0 40 FCAB Cc1ccc(S(=O)(=O)[C@@]23OC(C)(C)O[C@@H]2[C@@H](O)[C@@H]2CO[C@@H]3O2)cc1 169808035 GDLOUXJFINZTDN-JAAXMTQOSA-N 356.396 0.733 0 40 FCAB COc1ncccc1C(=O)N1CC2(CC[C@H](CNS(C)(=O)=O)CO2)C1 247886037 RPZJWFAVTHOGHD-GFCCVEGCSA-N 369.443 0.261 0 40 FCAB CN(C)c1cccc([C@@H]2CN(S(=O)(=O)c3cn(C)cn3)CCO2)n1 257310512 UFIXQKIWVSJROF-ZDUSSCGKSA-N 351.432 0.643 0 40 FCAB CN1C[C@H](C(=O)NCc2ccco2)OC2(CCN(C(=O)C3CC3)CC2)C1 306131486 KGBZTGOCBXAHBS-MRXNPFEDSA-N 361.442 0.998 0 40 FCAB CCOCC(=O)N1CC2(C1)[C@H](COc1nccc(C)n1)CCS2(=O)=O 306133857 MXXAKHVVGPPOFG-ZDUSSCGKSA-N 369.443 0.216 0 40 FCAB CCn1nccc1[C@@H]1OCC[C@H]1CNc1nc2c(c(O)nc(=O)n2C)n1C 330054806 SPPOIAWSUMAWLU-GXFFZTMASA-N 373.417 0.779 0 40 FCAB COC[C@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 408607390 LSMWKUFIHOQWAM-NSHDSACASA-N 360.432 0.621 0 40 FCAB CNS(=O)(=O)c1cccc(NC(=O)C[C@H]2CCCS(=O)(=O)C2)c1 521256579 RTPXVRMSGGUWSO-LLVKDONJSA-N 360.457 0.748 0 40 FCAB CCc1nn(C)c(CC)c1CNC(=O)C[C@H]1CS(=O)(=O)CCN1C 644400106 CCZFTWNNTKVRNZ-LBPRGKRZSA-N 356.492 0.280 0 40 FCAB NCc1cc(O)nc(CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)n1 662750198 KRSSIBZALONGTE-UHFFFAOYSA-N 355.398 0.848 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cccc4c3CCCC4)C2)C1 685941637 FIVIBESNAYHOLN-AWEZNQCLSA-N 355.438 0.984 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 1565544015 AMZZJKIQMPAIJI-PASDCYSWSA-N 358.442 0.814 0 40 FCAB O=C(C1CC(F)(F)C1)N1CCOC[C@@]2(C[C@@H](Cn3cnnc3)CO2)C1 1565549432 XAXKBLZAUOVFLY-SWLSCSKDSA-N 356.373 0.958 0 40 FCAB Cc1nc2c(c(N3C[C@@H]4CN(S(=O)(=O)c5cnc[nH]5)C[C@H]4C3)n1)CCC2 1888890365 DCVCUSOAAMNLPU-CHWSQXEVSA-N 374.470 0.754 0 40 FCAB Cc1cc(N(C)C)nc(N2CCN(c3ncnc4c3cnn4C)CC2)n1 1889136318 JATNUPKCWCBQSP-UHFFFAOYSA-N 353.434 0.854 0 40 FCAB CCCCNC(=O)Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C 7785638 OZGIKHTVBIVWNR-UHFFFAOYSA-N 358.464 0.437 0 40 FCAB CCCn1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)n[nH]c1=O 8937890 PZSKRXNKUUWTFC-JTQLQIEISA-N 362.477 0.109 0 40 FCAB COC(=O)C1CCN(C(=O)CNc2nc(Cl)nc3[nH]cnc23)CC1 9050732 SIAQNZVGPZOKIY-UHFFFAOYSA-N 352.782 0.830 0 40 FCAB COc1ccc(CNC(=O)CN2C(=O)N[C@H](CCSC)C2=O)cc1 9483801 CEWHHMPYDJBZIT-CYBMUJFWSA-N 351.428 0.985 0 40 FCAB O=C(C1=COCCO1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617692 JXXPFJJIWVBFLR-UHFFFAOYSA-N 362.411 0.288 0 40 FCAB CC(C)CN(C(=O)COc1nnc2ccccn12)[C@@H]1CCS(=O)(=O)C1 12909000 CBUZCCXBEQYUPK-CYBMUJFWSA-N 366.443 0.780 0 40 FCAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc2n(c1=O)CCS2 15760611 IKNNPBUYAVCJIC-UHFFFAOYSA-N 369.406 0.858 0 40 FCAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)N1CCN(CCO)CC1 20029657 PBTSOZWVHSYKJE-UHFFFAOYSA-N 373.453 0.980 0 40 FCAB Cc1cc(=O)n2nc(N3CCN(CC(=O)N4CCCC4)CC3)sc2n1 40049467 HIFOCOVHHIYJEY-UHFFFAOYSA-N 362.459 0.204 0 40 FCAB COC(=O)CN(CC(=O)N1CCNC1=O)Cc1cc(OC)cc(OC)c1 58161771 LCBXBBRUHWKQJD-UHFFFAOYSA-N 365.386 0.231 0 40 FCAB COc1ccc(OCc2cn(CC(=O)NCCC(=O)N(C)C)nn2)cc1 227168185 ZRQXRLFNOXHADH-UHFFFAOYSA-N 361.402 0.460 0 40 FCAB CS(=O)(=O)NCC[C@H]1CN(C(=O)C2CCOCC2)Cc2ccnn2C1 247518236 KMSLSNGATWQTAT-ZDUSSCGKSA-N 370.475 0.207 0 40 FCAB CCn1ccc(C(=O)N2CCN(C)[C@H](C(=O)NCC3CCOCC3)C2)n1 257344285 ZWLBOSFXHYLHNI-INIZCTEOSA-N 363.462 0.202 0 40 FCAB COCCNC(=O)c1cn2c(n1)[C@@H](C)N(c1cc(C)nc3ncnn13)CC2 306126533 DYNXAEVQBCQAJO-GFCCVEGCSA-N 370.417 0.587 0 40 FCAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C4OCCO4)C=C[C@H]3O2)c1 409281366 MGOLQXYAZJUVQQ-QGDIXAPHSA-N 371.345 0.659 0 40 FCAB COc1ccc(CN2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1 585290943 JDCGCRABWCVUQX-QRVBRYPASA-N 350.459 0.712 0 40 FCAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 3189826 ZOJFVEAUILBXHX-UHFFFAOYSA-N 356.444 0.955 0 40 FCAB Cc1nc(SCC(=O)N(C)C)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 3405668 AYBNMBKJQTVRIU-UHFFFAOYSA-N 365.459 0.635 0 40 FCAB C[C@H](OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(N)=O 7680236 IKQBBKFGJLAHTN-NTYUQYKDSA-N 368.411 0.138 0 40 FCAB O=C(NC1=NCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 7983031 PVISIQKGPVDEJX-UHFFFAOYSA-N 355.441 0.540 0 40 FCAB COc1cc(OC)c(OC)cc1CNC(=O)CCN1C(=O)CCC1=O 8404483 HFLNYQXWIAUJEP-UHFFFAOYSA-N 350.371 0.868 0 40 FCAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O 10536697 AMQUQBYLJQXODS-SFHVURJKSA-N 356.382 0.441 0 40 FCAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 11904856 BPTQNTUZHJZNOC-LLVKDONJSA-N 374.440 0.020 0 40 FCAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCc1c[nH]cn1 12663605 VQQPVKNOWYTBKH-UHFFFAOYSA-N 353.382 0.804 0 40 FCAB biogenic CCCCN(C(=O)C1=COCCO1)c1c(N)n(CCC)c(=O)[nH]c1=O 14823680 REKQGZWDKCOQPS-UHFFFAOYSA-N 352.391 0.550 0 40 FCAB CN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)CC1 20245307 NZFIRCZRDPPHHD-UHFFFAOYSA-N 358.439 0.213 0 40 FCAB CCN(C(C)=O)c1nc(CN2CCCN(S(C)(=O)=O)CC2)cs1 24924689 WHRDUZWDMMRZNE-UHFFFAOYSA-N 360.505 0.983 0 40 FCAB COC(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 25195767 UODZNJQPBWZRAB-UHFFFAOYSA-N 359.426 0.853 0 40 FCAB CCN(CC)C(=O)CN(C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 36750913 GWKRLHKWOMVDHH-UHFFFAOYSA-N 367.471 0.949 0 40 FCAB Cn1nc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c2c1CCS(=O)(=O)C2 41070486 OCTJDUPESBZTLV-UHFFFAOYSA-N 368.503 0.930 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 71553494 PJWOLSSVTIAURS-JTQLQIEISA-N 353.400 0.259 0 40 FCAB O=C1NC[C@H]2CN(C(=O)Nc3nc(-c4cccnc4)cs3)CCN2C1=O 79046227 MGTHFUMWEDLOKI-NSHDSACASA-N 372.410 0.380 0 40 FCAB CN1CCN(C(=O)[C@H]2C[C@]3(CO2)CN(C(=O)N(C)C)c2ccccc23)CC1 96144556 SVQPCGFFSUARSB-YLJYHZDGSA-N 372.469 0.989 0 40 FCAB Cc1cccc(CSCCNS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c1 96870203 ZFBCVQROZOFURV-UHFFFAOYSA-N 355.441 0.583 0 40 FCAB CN1CCN(C(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)CC1 225767146 BEAOIFAEUMCYQF-UHFFFAOYSA-N 359.879 0.876 0 40 FCAB O=C(Cn1cccn1)N1C[C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 257310627 UFXOMNXLEQXWIU-HZPDHXFCSA-N 358.373 0.661 0 40 FCAB NS(=O)(=O)c1ccc(CCC(=O)NCCCN2CCOCC2)cc1 408611419 WZAVGTRZTXCKLH-UHFFFAOYSA-N 355.460 0.105 0 40 FCAB Cc1ccoc1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccnn3C)[C@H]2C1 575402980 FIACRILBUANPPH-GZBFAFLISA-N 358.398 0.839 0 40 FCAB CC(=O)Nc1cc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)ccc1C 673984212 ISTIQFNDMBXILZ-UHFFFAOYSA-N 351.428 0.949 0 40 FCAB Cn1cnc2c(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)ncnc21 1888866301 VBBQBJBZKCTYIH-UHFFFAOYSA-N 355.402 0.759 0 40 FCAB Cn1cc(S(=O)(=O)NC2CN(c3ncnc4ccsc34)C2)cn1 1888890759 GFOSDKGEAYBORC-UHFFFAOYSA-N 350.429 0.592 0 40 FCAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)Cn2ccccc2=O)C1 2055750637 LHJJIXLAAVRVOJ-LJQANCHMSA-N 372.400 0.817 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1 2448953 SMWSNMNWAKPFHR-UHFFFAOYSA-N 362.411 0.225 0 40 FCAB O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)NC1CC1 2650858 OYGMIEPEBYKZCK-UHFFFAOYSA-N 372.468 0.971 0 40 FCAB CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 6652718 HWHHCBMUYUQHCV-UHFFFAOYSA-N 357.370 0.464 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 12239082 MKCSIWVQUTXWEK-UHFFFAOYSA-N 369.491 0.223 0 40 FCAB O=C(Cn1c(=O)cnc2ccccc21)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 12623679 ZVPNRYVKMUFFCS-CYBMUJFWSA-N 361.423 0.575 0 40 FCAB Cn1ccc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)cc1=O 19290832 AWGPRQWCENIPMG-UHFFFAOYSA-N 355.398 0.210 0 40 FCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccccc1 20636858 WIYSVAUOZLWRKP-HUUCEWRRSA-N 358.398 0.167 0 40 FCAB C[C@H](C(=O)N1CCOCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23248682 YIBKZWLTGAKYFI-OAHLLOKOSA-N 361.442 0.780 0 40 FCAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)C1 24801206 NKWAKBIKBAOMOV-RYUDHWBXSA-N 354.428 0.995 0 40 FCAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)no1 30565694 ZSDFXBOSKASEFD-UHFFFAOYSA-N 358.402 0.980 0 40 FCAB COC(=O)CCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 32989885 NWCMRLHXGPMNRL-UHFFFAOYSA-N 362.429 0.062 0 40 FCAB COCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 41244661 SQMHEQYNFXJTMI-UHFFFAOYSA-N 356.400 0.149 0 40 FCAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC[C@H](NS(C)(=O)=O)C1 48262459 AGAVVMUJJQYBOE-OLZOCXBDSA-N 357.480 0.378 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 57993754 BNGYNQXOUKMZMC-NSHDSACASA-N 356.473 0.517 0 40 FCAB C[C@@H]1Oc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2NC1=O 71542778 PUWFWRRABVNSRR-NSHDSACASA-N 355.416 0.017 0 40 FCAB CN(C)S(=O)(=O)N1CCN(Cc2ccnc(N3CCCC3)n2)CC1 72348144 MUELNKUXVHYEQU-UHFFFAOYSA-N 354.480 0.001 0 40 FCAB O=C(CN1CCCS1(=O)=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95998007 FBMPYHAQPCIPBC-UHFFFAOYSA-N 361.427 0.364 0 40 FCAB COCCNC(=O)[C@@H]1CCC2(CCN(c3cc(OC)ncn3)CC2)O1 96109928 OVBXEJZQFSSNLQ-ZDUSSCGKSA-N 350.419 0.766 0 40 FCAB CS(=O)(=O)CC(=O)N1Cc2cncn2[C@@H](COCC2CCOCC2)C1 247525133 MVCUJMQOUPOMBV-OAHLLOKOSA-N 371.459 0.254 0 40 FCAB O=C(CCN1CCc2ccccc21)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257232291 GKFRSUWHKRQGBQ-YVWKXTFCSA-N 359.470 0.780 0 40 FCAB COCC(=O)NC[C@@]1(O)COCCN(Cc2cc(C)c(O)c(C)c2)C1 257250957 JOTSZFUHNIRKBU-SFHVURJKSA-N 352.431 0.335 0 40 FCAB CCc1cc(CNC(=O)[C@@H]2CN(C(=O)c3ccn(CC)n3)CCN2C)on1 257339237 ZAVQXJZBAPBPST-INIZCTEOSA-N 374.445 0.526 0 40 FCAB CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCCn3nc(CC)nc32)C1 331443444 KQUCIOKGVPGCCX-RYUDHWBXSA-N 370.479 0.399 0 40 FCAB COc1cc(OC)cc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)c1 408619830 HYKKLSMLNRKXKB-UHFFFAOYSA-N 364.431 1.473 0 40 FCAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 575420841 FOXDAKUMKCPFJT-CQSZACIVSA-N 374.484 0.520 0 40 FCAB O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)C1CC1)C2 604381997 YFUIBVGXQHYUBQ-QGZVFWFLSA-N 355.438 0.834 0 40 FCAB biogenic,in-vitro CC(C)CNC(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 607294850 ICNLBHCRCWYHIL-ZIAGYGMSSA-N 359.492 0.615 0 40 FCAB CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@]3(C)CCNC3=O)c2)CC1 635640420 NAQTWEGZPYCOHL-IBGZPJMESA-N 358.442 0.468 0 40 FCAB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2nc3ccccc3c(=O)n2C)C1 643812875 VRQTZGNTPPECIX-IBGZPJMESA-N 358.442 0.739 0 40 FCAB CCCC[C@@H]1[C@@H](C(=O)OCC)C(=O)NC1(C(=O)OCC)C(=O)OCC 4897383 KBGXJFCLAXHIMH-VXGBXAGGSA-N 357.403 0.967 0 40 FCAB CCOC(=O)c1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 5055885 ZOVLBAMGFJVOIP-UHFFFAOYSA-N 367.383 0.062 0 40 FCAB CC(C)Nc1nc(NC(C)C)nc(Oc2ccc(OCC(N)=O)nn2)n1 9459763 CGPDTRYMOYSMEP-UHFFFAOYSA-N 362.394 0.959 0 40 FCAB Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(N)(=O)=O 9836447 QCXOTGFORKTLQY-UHFFFAOYSA-N 359.458 0.807 0 40 FCAB Cc1nnsc1C(=O)NCCn1ncc2c(N3CCOCC3)ncnc21 11666060 ODWRZUWEGZEARS-UHFFFAOYSA-N 374.430 0.253 0 40 FCAB CCOC(=O)C1CCN(c2c(CC)cnc3c2c(=O)n(C)c(=O)n3C)CC1 12226917 CUVFIVKJCCQGCJ-UHFFFAOYSA-N 374.441 0.974 0 40 FCAB CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)CCC3)CC1 12943149 GCSNNSYPVAOICZ-UHFFFAOYSA-N 358.485 0.878 0 40 FCAB COc1ccccc1-c1nnc2ccc(OCCNS(C)(=O)=O)nn12 13539591 SOOXPAXNXNVXSA-UHFFFAOYSA-N 363.399 0.728 0 40 FCAB CNC(=S)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(C)=O)CC1 13556076 PXJLHYBCMUICAL-INIZCTEOSA-N 362.499 0.819 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C)CC1 20061571 XPWXEIYGXDCVET-UHFFFAOYSA-N 367.471 0.404 0 40 FCAB CCN(CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@H]1CCS(=O)(=O)C1 23622998 HXMBHIOYWGWKPY-UYJPIKCFSA-N 357.476 0.954 0 40 FCAB COc1ccc([C@H]2CCCN2CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 25414748 OJSUTEGDFVGAOF-CQSZACIVSA-N 372.425 0.695 0 40 FCAB NC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@]2(CCSC2)C1=O 32392158 NJLDHVDWUWZIGQ-ZDUSSCGKSA-N 354.413 0.213 0 40 FCAB CC(=O)c1cccc(S(=O)(=O)N2CCN([C@H]3CCOC3=O)CC2)c1 36389900 GTUHFYHXBRXUKB-HNNXBMFYSA-N 352.412 0.511 0 40 FCAB C[C@@]1(NC(=O)COc2ccc(N3CCCC3=O)cc2)CCS(=O)(=O)C1 40012842 HZMKUZBJQJPMJM-QGZVFWFLSA-N 366.439 0.886 0 40 FCAB Cc1ccc(C)c(NC(=O)CN2CCN(C(=O)C(=O)NC3CC3)CC2)c1 40118744 DFRGRLMRJCHCPD-UHFFFAOYSA-N 358.442 0.665 0 40 FCAB COc1cc(NC(=O)CSc2n[nH]c(=O)n2C)cc(OC)c1OC 43940701 BRPDHJMGPSJXPO-UHFFFAOYSA-N 354.388 0.865 0 40 FCAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(CC(=O)N2CCOCC2)CC1 58218860 ZLCWMFDFWSDVFA-AWEZNQCLSA-N 365.478 0.905 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 71553493 PJWOLSSVTIAURS-SNVBAGLBSA-N 353.400 0.259 0 40 FCAB Cc1cnc(N[C@@H]2CCO[C@]3(CCN(S(=O)(=O)N(C)C)C3)C2)nc1 96209096 KAWHXKAPEUBVPH-UKRRQHHQSA-N 355.464 0.627 0 40 FCAB O=C1CCCN1CC[C@@H]1CCOC12CN(S(=O)(=O)c1cccnc1)C2 247851409 HLIUQIHNXGIRPL-CQSZACIVSA-N 365.455 0.874 0 40 FCAB CC(=O)NC1CCN(C[C@]2(O)CCCN(C(=O)C(C)(C)N)CC2)CC1 257264556 LUZSOLPODQATHY-SFHVURJKSA-N 354.495 0.068 0 40 FCAB CC(C)OCCS(=O)(=O)N1CCN(c2ncccc2C(N)=O)CC1 267098473 WCCCDOFYDSGCBV-UHFFFAOYSA-N 356.448 0.057 0 40 FCAB C[C@@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1C(=O)C1CC(F)C1 585097931 PMXPQXDOQDWYHV-IYXRBSQSSA-N 364.421 0.936 0 40 FCAB O=C(O)[C@@H]1CC[C@H](C(=O)N2CCOCC3(CCOCC3)C2)N1C1CC1 630671097 YETFTUSIWLZOCL-CABCVRRESA-N 352.431 0.722 0 40 FCAB CC[C@@H](C)NC(=O)CN1C[C@H](CC(N)=O)[C@H](OC(=O)c2ccccc2)C1 643587088 SYBQOJMCTKEKIL-VNQPRFMTSA-N 361.442 0.934 0 40 FCAB CN(CCOc1ccccc1F)C(=O)C[C@H]1CS(=O)(=O)CCN1C 644264647 QOVNCMWDZHADCC-ZDUSSCGKSA-N 358.435 0.782 0 40 FCAB O=C(O)[C@H]1CC[C@H](C(=O)N2CCN(c3nc4ccccc4o3)CC2)CN1 657213553 NTWPDWAZBONGEB-GXTWGEPZSA-N 358.398 0.929 0 40 FCAB CCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1Cl 3073390 DAWMPVGUZWULKW-VIFPVBQESA-N 363.757 0.974 0 40 FCAB O=C(COC(=O)c1ccc(OC(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 3531364 FRXISQUJXCLTSH-SNVBAGLBSA-N 363.338 0.748 0 40 FCAB CC(=O)N[C@@H]1[C@@H](OCCc2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 4025522 XTDWBJYOEJCBLM-FPSMNIFISA-N 365.426 0.988 0 40 FCAB CCOC(=O)[C@@H]1C(=O)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1 4992856 WUTCWCVITCRHRV-YPMHNXCESA-N 357.366 0.347 0 40 FCAB CNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 5879381 YTSXNYLEHYUKNZ-UHFFFAOYSA-N 368.196 0.803 0 40 FCAB O=C(O[C@@H]1CCOC1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 6627978 ZHHAKWORJHSIFY-CQSZACIVSA-N 353.396 0.946 0 40 FCAB CN(C)C(=O)CNC(=O)CSc1nnc(-c2ccncc2)n1C1CC1 7533576 GZBQZZCYUWOKAK-UHFFFAOYSA-N 360.443 0.972 0 40 FCAB C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(F)cc1 12551126 ROCLQKSKVQLBTL-SNVBAGLBSA-N 359.361 0.450 0 40 FCAB COC(CNC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1)OC 12664154 OWPYUAGQZDRDRM-UHFFFAOYSA-N 363.349 0.278 0 40 FCAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(c2ncccn2)CC1 13130116 RZHMDOSBFYSFOH-ZIAGYGMSSA-N 357.414 0.300 0 40 FCAB CC[C@@]1(c2ccc(NC(=O)C(=O)NCCN(C)C)cc2)CCC(=O)NC1=O 13683939 PIMAKBJSQBPQOG-IBGZPJMESA-N 374.441 0.387 0 40 FCAB O=C(CCNC(=O)Cc1n[nH]c(=O)c2ccccc12)NCc1ccccn1 13690703 WMABWWSWUDBZCL-UHFFFAOYSA-N 365.393 0.683 0 40 FCAB COCCN1CCc2nc3sc(SCC(C)=O)nn3c(=O)c2C1 15922222 MYWYCTVRDAUOMO-UHFFFAOYSA-N 354.457 0.837 0 40 FCAB CN(CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](NCc2ccccn2)[C@H]2CO[C@@H]1O2 20463998 FQKVWTWSJDYEOT-LTFPLMDUSA-N 370.453 0.594 0 40 FCAB biogenic,in-vitro CC(C)[C@H](C(=O)NCCCN1CCOCC1)n1nnc2ccccc2c1=O 20624223 PJSOOBOWBPGPHX-QGZVFWFLSA-N 373.457 0.827 0 40 FCAB Cc1cccc(N2CCN([C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 24828962 CYDBSVSWRXCFOI-HZPDHXFCSA-N 365.499 0.809 0 40 FCAB Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cc1 30207572 AYMCUEMYAUELMX-UHFFFAOYSA-N 367.471 0.859 0 40 FCAB NC(=O)[C@@H]1CC(C(=O)NCCc2ccccn2)=NN1c1ccc(F)cc1 32657618 LAMCQNJPJQHVPL-INIZCTEOSA-N 355.373 1.000 0 40 FCAB CCOC(=O)[C@H]1CCCN(CC(=O)NN2C(=O)N[C@](C)(CC)C2=O)C1 34892087 KPDOULXHSFDVSR-MEDUHNTESA-N 354.407 0.013 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)Cc2nc(C)c(CC(=O)O)c(=O)[nH]2)cc1 49468728 DMQZAZGLDFCYSE-UHFFFAOYSA-N 365.411 0.835 0 40 FCAB COc1ccc(CC(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 58341010 ZWNBOWIBQONQGT-UHFFFAOYSA-N 355.394 0.911 0 40 FCAB CN1CC(=O)N2C[C@@H](NC(=O)c3c[nH]nc3-c3ccccc3)C[C@H]2C1=O 91872089 IRLQUTUCJUGSDR-JSGCOSHPSA-N 353.382 0.248 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(CCCn3cncn3)CC2)cc1 95350402 YATSVSXPKVEITR-UHFFFAOYSA-N 365.459 0.683 0 40 FCAB C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)C[C@@H]1CCCC[C@@H]1O 95994297 DQKHKBYVCPMNHD-IKGGRYGDSA-N 361.490 0.997 0 40 FCAB Cc1cc(C(=O)N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)no1 96050386 XNWZHYKRJVEYAF-KRWDZBQOSA-N 358.402 0.280 0 40 FCAB Cn1nnnc1COc1cccc(C(=O)NCCCN2CCOCC2)c1 96101359 RVBLNSXBJIIIAZ-UHFFFAOYSA-N 360.418 0.241 0 40 FCAB COc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 97162147 WKOVWZAAWMMTEL-UHFFFAOYSA-N 366.403 0.352 0 40 FCAB Cc1ncn(CC(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)c(=O)c1C 225447105 GZASRKGOTRLJJC-CQSZACIVSA-N 372.429 0.396 0 40 FCAB CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccncc3F)[C@@H](O)[C@H]2O1 225512947 FYKHSVXEDCZTDH-UUWMRLDISA-N 367.421 0.511 0 40 FCAB biogenic,in-vitro CC(=O)N1C[C@@H](C(=O)O)CN2CCN(C(=O)c3cccs3)C[C@H]2C1 247967427 XPJPWFLJJDVLJE-STQMWFEESA-N 351.428 0.437 0 40 FCAB CC(=O)NCc1cnc(CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 257305644 SQWLJLOBLSEHAJ-SFHVURJKSA-N 359.474 0.988 0 40 FCAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCc1nnc2ccccn12 524735712 TVTYDNFJXADOSV-UHFFFAOYSA-N 352.398 0.524 0 40 FCAB Cc1ccc(C(=O)N2Cc3ncn(C)c3C[C@H]2CNS(C)(=O)=O)o1 585094812 NRWWVMVDEBGFRJ-NSHDSACASA-N 352.416 0.438 0 40 FCAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(CN2C(=O)CCC2=O)C1 606440599 HDWPLVWUTSXHCD-NSHDSACASA-N 360.366 0.790 0 40 FCAB COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 611608505 LYCFQNJMIQHXBK-LLVKDONJSA-N 372.381 0.817 0 40 FCAB COc1ccccc1C(=O)N1CCO[C@H](CN(CC(=O)O)C(C)=O)C1 681942796 QEJGCRLZIDLABU-ZDUSSCGKSA-N 350.371 0.469 0 40 FCAB Cc1nc(N2C[C@@H]3CN(c4ncnc5n[nH]cc45)C[C@@H]3C2)nc(O)c1F 1888919409 BOKMFPUQFXUNFX-AOOOYVTPSA-N 356.365 0.869 0 40 FCAB Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccc3c(c2)CCC3)n(C)c1=O 4943447 GUQNWAXDAGNVEB-UHFFFAOYSA-N 367.409 0.951 0 40 FCAB Cc1sc2ncnc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)c2c1C 5262144 BGHWHMDFGGJKQE-JTQLQIEISA-N 355.441 0.990 0 40 FCAB CN(C)C(=O)CNC(=O)COC(=O)c1cc(Br)ccc1N 7695127 PLJDMFKSLGDLIJ-UHFFFAOYSA-N 358.192 0.393 0 40 FCAB Cc1ccc(=O)n(CC2(O)CCN(Cc3cnc(N(C)C)nc3)CC2)n1 12187745 OYBMGKSPFRXZQI-UHFFFAOYSA-N 358.446 0.435 0 40 FCAB CCOc1ccccc1N(CC(=O)N1CCN(C=O)CC1)S(C)(=O)=O 13669093 RXHLXJHYYPAREM-UHFFFAOYSA-N 369.443 0.152 0 40 FCAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1nnn(-c2ccccc2)c1=O 16362404 SYSVYUDZIQFIRM-OCCSQVGLSA-N 358.402 0.834 0 40 FCAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1C[C@H](C)O[C@H](C)C1 23989836 XOSRAYBNSJPHRT-BETUJISGSA-N 374.445 0.104 0 40 FCAB CCOc1ncccc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 27584268 YOCLHVWIKVJHIP-UHFFFAOYSA-N 355.354 0.678 0 40 FCAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(OC)c(NS(C)(=O)=O)c1 30026544 OSFWPVWXYZAOCN-VIFPVBQESA-N 358.420 0.713 0 40 FCAB CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3ncccn3)CC2)c1 31481021 VEWWRMCBTKZBOA-UHFFFAOYSA-N 364.431 0.017 0 40 FCAB COC(=O)C1(NC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)CCCCC1 31907050 RFYHDTYLMIKHJV-UHFFFAOYSA-N 360.370 0.228 0 40 FCAB CO[C@@H](/C=C/[C@H](OC(C)=O)[C@@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1 34361066 STNNWPKHRBGYMO-ATJGYBDASA-N 356.371 0.674 0 40 FCAB biogenic,in-vitro O=C(CNC(=O)c1cc(-c2ccccc2)on1)NCc1nnc2n1CCC2 58247201 JFYWGZDMKVTANW-UHFFFAOYSA-N 366.381 0.926 0 40 FCAB O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1ccccc1N1CCC(=O)NC1=O 65371135 WJIZLXDMXPYFGX-NEPJUHHUSA-N 356.382 0.626 0 40 FCAB CCc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 89286407 HEDLXZSXJHYPSP-UHFFFAOYSA-N 351.428 0.954 0 40 FCAB O=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(C(=O)c3cscn3)C2)C1 96225621 DPTZUCYHUXXPJY-MEDUHNTESA-N 364.427 0.799 0 40 FCAB Cc1ccc(S(=O)(=O)[C@@]23OC(C)(C)O[C@@H]2[C@H](O)[C@@H]2CO[C@@H]3O2)cc1 103626937 GDLOUXJFINZTDN-YTBGYOSVSA-N 356.396 0.733 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)c2cc(N3CCOCC3)on2)cc1 224077593 IHCALXOBYBRCPC-UHFFFAOYSA-N 352.372 0.411 0 40 FCAB CC(=O)N(C)[C@@H]1CO[C@@H]2CCN(Cc3ccnn3C)C[C@@H]2C[C@@]1(C)O 257280445 OKWRZTBAQMOFJT-DZOHQFGASA-N 350.463 0.629 0 40 FCAB C[C@@]1(O)CCN(C(=O)c2ccc3[nH]cnc3c2)C[C@H]1n1ccc(O)nc1=O 257284957 PFAREBQCKNEYOQ-RDTXWAMCSA-N 369.381 0.663 0 40 FCAB CC1(C)CN[C@H]1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 643979633 SFOHTPQMRYOHGQ-NSHDSACASA-N 371.425 0.799 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cnn3ccccc23)CCO1 681942715 ODGURIBKBGTNTA-ZDUSSCGKSA-N 360.370 0.108 0 40 FCAB CCc1ccoc1C(=O)N1C[C@@H](NC(=O)COC)[C@H](c2nccn2C)C1 1615550474 UXZWDVQHEIWCOQ-ZIAGYGMSSA-N 360.414 0.946 0 40 FCAB Cn1c(O)nc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1=O 1775967461 SIMLHTAIEFNPAI-UHFFFAOYSA-N 354.370 0.325 0 40 FCAB Cn1cc(N2CCC(N=c3ccnc(C4CC4)[nH]3)CC2)c(=O)n(C)c1=O 1889084222 JBGAPTAOTFNFDI-UHFFFAOYSA-N 356.430 0.254 0 40 FCAB Cc1cc(N2CCCC2)nc(N2CCN(CC(=O)N3CCOCC3)CC2)n1 1889116959 BQTYDWTVOGSTIA-UHFFFAOYSA-N 374.489 0.366 0 40 FCAB CCOC(=O)C(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCOCC1 3231010 LLWMNLBAYMPFNU-UHFFFAOYSA-N 356.400 0.518 0 40 FCAB CCN(C(=O)COC(=O)c1cccc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 3351682 XZCQHOPYXJMHRW-LLVKDONJSA-N 371.411 0.593 0 40 FCAB COc1cccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)[nH]2)c1 4317131 YIPZVFQJDGAPAC-UHFFFAOYSA-N 364.383 0.922 0 40 FCAB CCNC(=O)[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 8314033 XAGIMXHKEFUVDF-JTQLQIEISA-N 357.432 0.200 0 40 FCAB CC(C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 12232245 CTPHHTKKPABCGY-GFCCVEGCSA-N 373.413 0.684 0 40 FCAB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 14183280 XPWCGGUQVBAKJQ-NSHDSACASA-N 369.468 0.844 0 40 FCAB CC(C)NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 17807095 CVFOCLPGILPOGX-LBPRGKRZSA-N 361.398 0.452 0 40 FCAB O=C(NCCC(=O)N1CCOCC1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 19293954 PZMSWDUBZZNVDH-CYBMUJFWSA-N 363.389 0.544 0 40 FCAB Cn1c(=O)oc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc21 19936637 RSWWZPJJRALUAV-UHFFFAOYSA-N 355.416 0.132 0 40 FCAB CN(CCc1ccccn1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC1CCCCC1 20465921 ULNYZSQQGAUODV-FUMNGEBKSA-N 363.502 0.967 0 40 FCAB biogenic,in-vitro COCCNC(=O)C1CCN(CCC(=O)NC(=O)NC(C)(C)C)CC1 32909582 OQCHQSSBFVIFFO-UHFFFAOYSA-N 356.467 0.475 0 40 FCAB O=C(Nc1cn[nH]c1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 72307019 BFHNALCBRRDJKH-AWEZNQCLSA-N 354.370 0.486 0 40 FCAB CON(C)C(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72327088 LWRVIZIBCNTHRZ-GTNSWQLSSA-N 361.402 0.354 0 40 FCAB Cn1cc(C(=O)N2CCc3nc(NC(=O)[C@@H]4CCCO4)sc3C2)nn1 75157895 HXOMZUYAMLSLJZ-NSHDSACASA-N 362.415 0.588 0 40 FCAB Cc1oc(-c2cccs2)nc1CN(CCO)[C@@H]1CS(=O)(=O)C[C@@H]1O 79051877 NBACXKWVQNSFSO-OLZOCXBDSA-N 372.468 0.664 0 40 FCAB CC(C)Cc1ccc(S(=O)(=O)NCCCN2CCNC(=O)C2)cc1 95454397 ZEXJRGKVTLEVRL-UHFFFAOYSA-N 353.488 0.985 0 40 FCAB COC(=O)[C@@H](CO)NC(=O)CSc1nncn1-c1ccc(OC)cc1 95948001 LVOGXPAKGARXQY-GFCCVEGCSA-N 366.399 0.018 0 40 FCAB Cc1cc(N2CCC[C@H](NS(=O)(=O)C[C@@H]3CCCCO3)C2=O)n(C)n1 97010003 WJOTYVAJBPCSPO-KBPBESRZSA-N 370.475 0.712 0 40 FCAB CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(CC(=O)OC)C1=O 408547889 ANRKTLLHGZELMJ-XYOKQWHBSA-N 362.338 0.694 0 40 FCAB CC1(C)NC(=O)N(CC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)C1=O 520361705 WIKIAQBFTOXFMJ-UHFFFAOYSA-N 359.342 0.012 0 40 FCAB CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@H]1CCn2ccnc2C1 548311559 QKLOTNJBVDPBML-JTQLQIEISA-N 354.457 0.940 0 40 FCAB C[C@H]1CCN(C(=O)NCc2ncccc2S(C)(=O)=O)C[C@@H]1C(=O)O 567609505 MPALBEJHFWDEFS-QWRGUYRKSA-N 355.416 0.737 0 40 FCAB COC[C@]1(CC(=O)NCCn2nc(C)cc2C)CN(C(C)=O)CCO1 585280113 AKVIWBRCIFLDDT-KRWDZBQOSA-N 352.435 0.270 0 40 FCAB O=C(Cn1c(=O)cnc2ccccc21)N[C@@H](c1ccccc1)c1nn[nH]n1 622611488 FZACLLHGWQKISR-KRWDZBQOSA-N 361.365 0.815 0 40 FCAB CC(C)CN1CCO[C@@H](Cn2cc(CCN3CCC(N)CC3)nn2)C1 630588244 BIGKZTQYNOGGNI-GOSISDBHSA-N 350.511 0.601 0 40 FCAB O[C@H]1[C@H](NCc2cc(-c3ccccc3)no2)[C@H]2CO[C@H](O2)[C@@H]1n1cncn1 1534640179 PLKMNYLADJASLQ-HSFUPAIVSA-N 369.381 0.749 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NC[C@]2(O)CCCc3occc32)C1=O 1565523462 PRXOMLIWBHURHI-CQSZACIVSA-N 357.388 0.210 0 40 FCAB COc1cnccc1C(=O)N1CCc2ncnc(N3CCOCC3)c2CC1 1565543957 JLLQUKMLJBNSKD-UHFFFAOYSA-N 369.425 0.958 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)C3CC(F)(F)C3)CC[C@H]21 1565554331 OTCCJZBRVWQGLG-VXGBXAGGSA-N 352.403 0.683 0 40 FCAB Cc1noc(CC(=O)N2C[C@H]3CCn4c(C(=O)NC5CC5)nnc4[C@@H]3C2)n1 1565556670 PFDHALGIBPNPGP-ZYHUDNBSSA-N 371.401 0.050 0 40 FCAB CCCNC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243212 RVUVVEDYHITBQM-LBPRGKRZSA-N 360.411 0.010 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCCO)CC1 6203924 OGPHOVFMYHQQHR-UHFFFAOYSA-N 370.471 0.903 0 40 FCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](CC(C)C)C(=O)OC)C1 105670778 KIWHQKWADJYCFD-QWHCGFSZSA-N 364.464 0.684 0 40 FCAB NC(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cn1 58078049 GBOUCROMJDNKOF-UHFFFAOYSA-N 373.457 0.341 0 40 FCAB COc1ccc([C@@H]2C/C(=C3\C(=O)NC(=S)N(C)C3=O)NN2)c(OC)c1 9420431 OOLQVLFHDKLVQX-KAMHRAILSA-N 362.411 0.370 0 40 FCAB Cn1nnn(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c1=S 14137814 YADOKLBAGDOAGQ-UHFFFAOYSA-N 372.451 0.449 0 40 FCAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 6608779 ZJPHKBKCBBVLDS-ABAIWWIYSA-N 359.448 0.036 0 40 FCAB CCCCS(=O)(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2C(C)=O 96251610 ZHMPUBMIYYYJPH-UONOGXRCSA-N 366.505 0.226 0 40 FCAB COCCNC(=O)[C@H]1CCC2(CCN(c3cc(OC)ncn3)CC2)O1 96109929 OVBXEJZQFSSNLQ-CYBMUJFWSA-N 350.419 0.766 0 40 FCAB Cn1cccc1C(=O)N1CCCn2c(nc(Cn3cncn3)cc2=O)C1 96059624 XYYRVAXOUKKVGE-UHFFFAOYSA-N 353.386 0.268 0 40 FCAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3n[nH]c4c3CCC4)C2)ncn1 257302833 SEQWUIDKSLPVHO-SFHVURJKSA-N 356.430 0.758 0 40 FCAB O=S(=O)(NCc1cn(-c2ccncc2)nn1)c1ccc2c(c1)OCCO2 575414780 RLCNQNPWUKEKCO-UHFFFAOYSA-N 373.394 0.912 0 40 FCAB Cn1ccnc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)c1=O 515239043 WLJRVUKYDDCGII-HIFRSBDPSA-N 368.397 0.801 0 40 FCAB CC(C)NC(=O)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(-c2cccc(F)c2)nn1 1549161563 MFYPVGPFWFNCIQ-ARFHVFGLSA-N 363.393 0.920 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCCn2ccc3ccoc3c2=O)CC1 253401871 NPUDGUPRBCHQRS-UHFFFAOYSA-N 367.427 0.382 0 40 FCAB COCc1ccc(C(=O)N2C[C@H]3OCCN(S(C)(=O)=O)C[C@H]3C2)cc1 1614929980 LDCUMPVSRCGMRQ-HZPDHXFCSA-N 368.455 0.565 0 40 FCAB O=C(C[C@@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(F)cc1 22996963 BZZDTRBTPAIZLT-OAHLLOKOSA-N 353.394 0.919 0 40 FCAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)C1 40092353 NGLPJGMJJVJPGL-CQSZACIVSA-N 363.443 0.555 0 40 FCAB CCCN1C(=O)[C@H](NC(=O)C(=O)NCCN2CCOCC2)c2ccccc21 101459234 GJGXLPBVBQTKJB-MRXNPFEDSA-N 374.441 0.049 0 40 FCAB Cc1cc(C)n2nc(C(=O)OCC(=O)NC(=O)NCc3ccco3)nc2n1 2627499 ADPWVRAAWYAZOR-UHFFFAOYSA-N 372.341 0.517 0 40 FCAB O=C(O)[C@H]1CCCN1C(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 4090582 WYKMLHCHJWMDNM-CABCVRRESA-N 371.393 0.841 0 40 FCAB biogenic COc1ccc(CCn2c(NC[C@@H](C)O)nc3c2c(=O)[nH]c(=O)n3C)cc1 4386270 NISNMBWYYNCYII-LLVKDONJSA-N 373.413 0.467 0 40 FCAB COc1cc(C(=O)NCc2cc(=O)n(C)c(=O)n2C)cc(OC)c1OC 6661223 MXNUVLCXXANDCD-UHFFFAOYSA-N 363.370 0.040 0 40 FCAB CC(C)(O)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1 8298077 VSUUBFYYBPZOGC-KFWWJZLASA-N 363.462 0.075 0 40 FCAB biogenic,in-vitro O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCN(c2nccs2)CC1 10269530 ZPDYQGSDVNVQMA-UHFFFAOYSA-N 371.422 0.495 0 40 FCAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCNC(=O)C3(C)C)nc12 12117681 LOCIIPCVJWUKMI-UHFFFAOYSA-N 370.413 0.208 0 40 FCAB CCOC(=O)c1csc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 13790076 HFXJQHZUICPJIZ-VIFPVBQESA-N 361.445 0.930 0 40 FCAB CCn1nnnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 16460077 QVTAJMJOWXAFNM-UHFFFAOYSA-N 364.387 0.905 0 40 FCAB O=C(N[C@H]1CCCN1S(=O)(=O)c1ccccc1F)N1CCOCC1 16789718 WFYCTJGQVPETBZ-CQSZACIVSA-N 357.407 0.978 0 40 FCAB CC(=O)N[C@@]12CCN(C)C[C@@H]1CN(C(=O)c1ccc3c(c1)OCCO3)C2 19713024 UNJXRVUQMNYCNK-DNVCBOLYSA-N 359.426 0.740 0 40 FCAB COc1c2c(cc3c1[C@H](c1c(O)n(C)c(=O)[nH]c1=O)N(C)CC3)OCO2 20113039 ONFNURHXJYKMHO-GFCCVEGCSA-N 361.354 0.094 0 40 FCAB biogenic O=C1CC2(CCCC2)C(=O)N1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22912107 FWKOPNHGNYJVNG-CQSZACIVSA-N 369.487 0.068 0 40 FCAB Cn1c(=O)[nH]c(=O)n2c(CC(=O)c3ccccc3OC(F)F)cnc12 28527262 VMZYDXLCIATUFI-UHFFFAOYSA-N 350.281 0.748 0 40 FCAB C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1nnc2ccccn12 32802346 FQDLAYTXONCNRT-LLVKDONJSA-N 374.426 0.937 0 40 FCAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)c2cccnc2)CC1 33090355 CIQCAWPKIIHMBU-KRWDZBQOSA-N 373.434 0.918 0 40 FCAB CNC(=O)[C@H](CC(C)C)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 40122647 FCTAOUNKXZUWTG-XYEKJYRLSA-N 366.462 0.764 0 40 FCAB C[C@@H]1CN(CCNS(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@@H](C)O1 58277614 HNKBQRRTBWRUJQ-CHWSQXEVSA-N 366.447 0.050 0 40 FCAB CS(=O)(=O)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)cn1 69921584 YKANKVLBPCVSBO-AWEZNQCLSA-N 368.459 0.814 0 40 FCAB CN1CCN(CCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 78578810 OFUDRXLYSFIIQZ-UHFFFAOYSA-N 372.469 0.817 0 40 FCAB CCOC(=O)c1oc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)nc1C 84795662 XBWXJLCHZHDUHL-JTQLQIEISA-N 359.404 0.912 0 40 FCAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)Cc1ccccn1)C2 96050322 CKSFAMRBZHYIFK-HXUWFJFHSA-N 365.437 0.969 0 40 FCAB CSCC[C@@H](NC(C)=O)C(=O)NCCn1nnc2ccccc2c1=O 238886904 QDOBASFKASZBFP-CQSZACIVSA-N 363.443 0.166 0 40 FCAB C[C@H](C(=O)N(C)CCc1nccs1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 269946744 WVSGIKWAAMTJHX-JIFFNSBPSA-N 363.439 0.695 0 40 FCAB Cc1conc1NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 331903692 ZKYIICPYICTNRM-UHFFFAOYSA-N 367.431 1.064 0 40 FCAB Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)Cn1cnnn1 547707402 ZJLPKBKCLZAFCC-RYUDHWBXSA-N 353.427 0.509 0 40 FCAB CNC(=O)/C=C/CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 575617694 FERVNCLBBKUNQD-SNAWJCMRSA-N 351.428 0.503 0 40 FCAB COC[C@]1(CC(=O)N(C)C)CN(Cc2c(C)nn(C)c2OC)CCO1 585277144 FYFWPJIKERZPHP-KRWDZBQOSA-N 354.451 0.433 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(CCc2ccc3c(c2)CCO3)CCO1 648048902 DVSBVWQURDDPCV-KRWDZBQOSA-N 362.426 0.798 0 40 FCAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)COc1ccccc1)CCO2 2037985195 AMQUDFFNQHTYGF-IBGZPJMESA-N 362.426 0.930 0 40 FCAB CC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O 2342445 ZCYIRTVQZSEDQG-UHFFFAOYSA-N 353.382 0.946 0 40 FCAB CCOc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)NC(N)=O)C(C)C 3450342 JGDCMUAYMTZVSO-AWEZNQCLSA-N 365.386 0.578 0 40 FCAB O=C(NC1CCCCC1)NC1CCN(CC(=O)N2CCOCC2)CC1 4908497 KDCOEJGYOPRSRC-UHFFFAOYSA-N 352.479 0.942 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1 5044105 WQIHSBNKPAXYDV-NSHDSACASA-N 369.830 0.718 0 40 FCAB COC(=O)c1ccc(Cn2nc3n(c(=O)c2=O)CCN3c2ccccc2)o1 8848749 QKWZYEZTGKHRJP-UHFFFAOYSA-N 368.349 0.985 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)N2CCSc3ccccc32)n(C)c1=O 15224763 WKHGHTUHGRPIKH-UHFFFAOYSA-N 371.422 0.573 0 40 FCAB Cc1cnc2c(C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)cnn2c1 19748951 SURILJWMGRDJOL-CYBMUJFWSA-N 365.459 0.972 0 40 FCAB COc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 23980925 DJFJTOJYMNQHLD-BETUJISGSA-N 356.444 0.999 0 40 FCAB O=C(CCN1CCN(c2nnnn2-c2ccccc2)CC1)N1CCOCC1 52579989 CPRXJZGDTWGNAO-UHFFFAOYSA-N 371.445 0.033 0 40 FCAB Cn1cc(N2CCC[C@H](N3CCN(C(=O)c4ccco4)CC3)C2=O)cn1 95401409 NKWMHNYJAXIWHG-HNNXBMFYSA-N 357.414 0.967 0 40 FCAB CSCC[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)N)CC1)C(=O)O 100772081 AQQWHPZAHBODPW-FVCCEPFGSA-N 359.492 0.579 0 40 FCAB O=CN(CCCCCO[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 217395711 HDKQYCOTFPCXQY-UONOGXRCSA-N 367.489 0.006 0 40 FCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](CC(=O)N2CCCC2)C1 253491096 LEJUXJGTFBACGG-HNNXBMFYSA-N 354.476 0.687 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 257337859 YUSVRXVAXJKEJJ-GFCCVEGCSA-N 350.448 0.928 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)N3CCOc4cccc(F)c4C3)cnc21 513105449 WXVYFRHSRALCMQ-UHFFFAOYSA-N 357.345 0.690 0 40 FCAB CN(C)Cc1cc(CNC(=O)CN2CCCC[C@@H](O)C2=O)ccc1F 644361959 HHHRBMFROAWFPR-MRXNPFEDSA-N 351.422 0.877 0 40 FCAB O=C(C1CC(F)(F)C1)N1CCOC[C@@]2(C[C@H](Cn3cnnc3)CO2)C1 1565549429 XAXKBLZAUOVFLY-IUODEOHRSA-N 356.373 0.958 0 40 FCAB O=C(N1CCOC[C@@]2(CC[C@H](Cn3ncccc3=O)O2)C1)C1(F)CCC1 1614935790 VTGIEYJOGBUFOK-RHSMWYFYSA-N 365.405 0.912 0 40 FCAB CS(=O)(=O)c1ccc(N2CCO[C@H](C(=O)N3CCSCC3)C2)cc1 1888864460 XZNQTCNPLDXCQP-HNNXBMFYSA-N 370.496 0.871 0 40 FCAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)c2ccnc(F)c2)CC1 2055746360 UAGHMXSGWNZLTA-UHFFFAOYSA-N 360.393 0.787 0 40 FCAB CN(C)S(=O)(=O)N1C[C@H]2OCC[C@H]2[C@@H](C(=O)Nc2cccnc2)C1 2055747213 PUMOIBYOWOBYJT-MELADBBJSA-N 354.432 0.163 0 40 FCAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)[C@@H]2CCOC2)C1 2055772786 DXFOVUBAJNDZNV-QBPKDAKJSA-N 359.426 0.740 0 40 FCAB CN1Cc2ncc(-c3cnn(C)c3)n2C[C@]12CCN(C(=O)[C@H]1CCOC1)C2 2055773042 OKCHATUBERSYNP-IFXJQAMLSA-N 370.457 0.737 0 40 FCAB O=C(c1ccco1)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1 6863441 HXPAHEDAOFIVJR-UHFFFAOYSA-N 358.379 0.947 0 40 FCAB Cc1cc(NC(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)on1 23662621 DTBLPDQCNDVFJO-UHFFFAOYSA-N 356.390 0.420 0 40 FCAB CC(=O)NCCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 36685026 DYBWIPCTPDYFAZ-UHFFFAOYSA-N 359.473 0.789 0 40 FCAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(N)CC2)c1 36753652 JFTZDEYTJKQNNX-UHFFFAOYSA-N 352.865 0.855 0 40 FCAB Cn1nc(C(=O)N2CCN(Cc3nc4ccccc4n3C)CC2)ccc1=O 49372102 ZRCRGCBWPVQCAK-UHFFFAOYSA-N 366.425 0.625 0 40 FCAB NC(=O)NC(=O)CN1CCN(Cc2sccc2Br)CC1 49480674 HHLIFRIYDDWNDK-UHFFFAOYSA-N 361.265 0.823 0 40 FCAB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 57509045 WIJKTXONTZVLON-RDJZCZTQSA-N 365.499 0.843 0 40 FCAB CCOC(=O)N(C)CC(=O)N[C@@H](C)c1ccc(-n2cc(C(N)=O)nn2)cc1 58283453 OZSCAZIWJWJOIN-NSHDSACASA-N 374.401 0.632 0 40 FCAB Cn1cc(C(=O)N2CCCC[C@@H]2c2cc(C(=O)N3CCOCC3)[nH]n2)cn1 72380574 MPRZLEXFNGXUJB-MRXNPFEDSA-N 372.429 0.983 0 40 FCAB CC(=O)NCC(=O)N1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95998378 JVRMTSPUUHMGFC-KRWDZBQOSA-N 358.442 0.462 0 40 FCAB O=C(Cn1ccnn1)N1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95998394 FPEQYBWZXQDHKH-QGZVFWFLSA-N 368.441 0.618 0 40 FCAB CS(=O)(=O)N[C@H]1COCCC12CCN(C(=O)Cc1ccco1)CC2 96219150 WMFGLWUQEKGKMU-AWEZNQCLSA-N 356.444 0.769 0 40 FCAB O=C(CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc2c(=O)[nH][nH]c(=O)c12 106150998 PVYWOMCSUWTYOU-JBLDHEPKSA-N 356.382 0.707 0 40 FCAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NC1CCN(C)CC1)O2 113952939 XWLVGBKQJJKXPS-MRXNPFEDSA-N 367.471 0.732 0 40 FCAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)CN(C)S(C)(=O)=O 225582789 ITNOKYJNEFBASW-UHFFFAOYSA-N 365.459 0.434 0 40 FCAB O=C(Cn1ncccc1=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 238871086 MXKXJFWHKREMJV-UHFFFAOYSA-N 368.441 0.697 0 40 FCAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3ncoc3C)CC[C@@H]2O)CC1 257299881 RSAZKARDDORGAC-GJZGRUSLSA-N 350.419 0.113 0 40 FCAB O=C(C1CC1)N1CC[C@@]2(C1)Cn1c(nn(CC3CCC3)c(=O)c1=O)CO2 306136136 PKJFBTLONLYNKW-GOSISDBHSA-N 360.414 0.116 0 40 FCAB COc1ccc(C(=O)CN(CCN)[C@]2(C)CCS(=O)(=O)C2)cc1OC 575421503 ITYDUEJZEZFLIR-QGZVFWFLSA-N 370.471 0.724 0 40 FCAB Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1O 575426524 UWEXXEZZFVFTLY-MNOVXSKESA-N 353.849 0.427 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2Cc1ccc(F)cc1 4316572 VNZFXVYAMLNYCW-UHFFFAOYSA-N 358.377 0.020 0 40 FCAB COC(=O)C1=NN[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 4481741 JFTSJZNBEXVZNC-IUCAKERBSA-N 352.144 0.439 0 40 FCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1COc2ccccc2O1 6586952 ADEYXHDHWQGLMV-GFCCVEGCSA-N 359.382 0.807 0 40 FCAB CCCn1c(=O)n(C)c(=O)c2c(SCC(N)=O)nc(C(C)(C)C)nc21 6864949 DOKBLBRSBSDRLF-UHFFFAOYSA-N 365.459 0.775 0 40 FCAB COc1ccccc1[C@@H](C)N[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 7785266 SMNLPMWGEQVHPC-MNOVXSKESA-N 360.414 0.597 0 40 FCAB CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cccc(F)c1 8169430 YFTLDKXBVNEWEZ-UHFFFAOYSA-N 357.407 0.316 0 40 FCAB COc1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 8770335 UZUZBMVBKMPGHG-GFCCVEGCSA-N 365.411 0.799 0 40 FCAB Cn1c(N)c(C(=O)CSc2nnc(NC3CC3)s2)c(=O)[nH]c1=O 13113388 CIPJGLCZLJCIHU-UHFFFAOYSA-N 354.417 0.057 0 40 FCAB Cc1csc2c(=O)n3c(nc12)CCN(C(=O)[C@@H]1CC(=O)N(C)C1)CC3 13227979 FPNNXBNHFGOUFI-LLVKDONJSA-N 360.439 0.629 0 40 FCAB CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nnc(N)s2)CC1 14164523 XLAKRITZZWSUFH-UHFFFAOYSA-N 372.520 0.271 0 40 FCAB C/C=C/C(=O)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164530 JTZIHLAMLDURIX-DCVFFXCOSA-N 370.453 0.628 0 40 FCAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)NC3=NC(=C(C)C)NN32)cc1 14607180 QNMUHEZAEWAMIJ-ZDUSSCGKSA-N 356.386 0.900 0 40 FCAB CC[C@H]1C(=O)NCCN1C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 19715359 MQZKOEZTUWBBAP-JKGQDXBKSA-N 350.419 0.224 0 40 FCAB C[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccncc1 36569273 YVNKQQWNPRLDDX-LBPRGKRZSA-N 356.382 0.447 0 40 FCAB CCNC(=O)CN1CCN(C(=O)c2cc(Br)cn2C)CC1 37502926 QWRIJEHDZDPIAF-UHFFFAOYSA-N 357.252 0.682 0 40 FCAB CC[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(S(=O)(=O)N(C)C)o1 40127574 PLESOJRBOVLZSB-JTQLQIEISA-N 366.461 0.359 0 40 FCAB CCn1cnnc1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 48343375 VTMPCHSWAIMNQN-UHFFFAOYSA-N 367.431 0.914 0 40 FCAB C[C@H]1C[C@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCO1 95455534 BBZQYMFVCLEKJB-QWHCGFSZSA-N 362.473 0.452 0 40 FCAB CNC(=O)[C@@]12CCC3(CCN(C(=O)COC)CC3)[C@@H]1CN(C(C)=O)C2 96036276 UEMUPTGNGVKGCH-KBXCAEBGSA-N 351.447 0.246 0 40 FCAB CCOCC(=O)N1CCC2(CC1)O[C@H](C(=O)NC(C)C)Cn1ccnc12 96243676 YYZWWFPOAJKITG-AWEZNQCLSA-N 364.446 0.661 0 40 FCAB CCOC(=O)C[C@H]1C(=O)NCCN1c1nc2ccc(C)cn2c(=O)c1C=O 96517677 GLBUVCSQKFJWMT-ZDUSSCGKSA-N 372.381 0.073 0 40 FCAB CN(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 101665510 WGLSQUXKZSPXCH-ZDUSSCGKSA-N 357.451 0.904 0 40 FCAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)[C@@H]1CCS(=O)(=O)C1 238878088 OOISSYJVYDGKQY-MRVPVSSYSA-N 362.333 0.799 0 40 FCAB O=C(Cc1ccc(Br)cc1)N1CC(N2C(=O)CNC2=O)C1 253473201 SORNHAFFSCQNGD-UHFFFAOYSA-N 352.188 0.754 0 40 FCAB Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H]1CC[C@H](CC(=O)N(C)C)N1C 257214536 CMJLZTYSOUWWDI-OLZOCXBDSA-N 357.480 0.246 0 40 FCAB Cc1cc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccn1 302266295 FPUZHKNWHOAZBM-UHFFFAOYSA-N 350.400 0.593 0 40 FCAB CCOCCOc1ccc(CN2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)cc1 585270532 LWIGIVDICLVKQG-RTBURBONSA-N 366.458 0.536 0 40 FCAB CNC(=O)C[C@]1(OC)COCCN(C(=O)c2cccc(COC)c2)C1 585281544 ZCENNNXBJWQOOG-GOSISDBHSA-N 350.415 0.827 0 40 FCAB Cc1noc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)n1 591148745 WKFZWQNYHGXIPH-UHFFFAOYSA-N 367.431 0.821 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2c[nH]c3ncccc23)CCO1 681943322 LGXVKSBXZKCXFB-CQSZACIVSA-N 374.397 0.266 0 40 FCAB CNC(=O)[C@@]1(n2cccn2)CCCN(S(=O)(=O)c2cccc(F)c2)C1 2055772715 SUFOWUSHQWUYOM-MRXNPFEDSA-N 366.418 0.948 0 40 FCAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)[C@@H]5CCOC5)C[C@H]4C3)ncnc21 2086968343 MSOQGQUHTNKBKR-MGPQQGTHSA-N 356.430 0.777 0 40 FCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ccccc2O)CC1 9217087 GBWPMLOACDSLIR-UHFFFAOYSA-N 372.425 0.905 0 40 FCAB O=C(c1cc(F)ccc1-n1cnnn1)N1CCN(c2ncccn2)CC1 12409561 BMXTVBPFDKYOQL-UHFFFAOYSA-N 354.349 0.554 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nc2ccccc2[nH]1 20800227 ISWRZSIVHDPBNC-LBPRGKRZSA-N 362.411 0.545 0 40 FCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(OC)c(OC)c1 25358011 VUFAIEZVOMHTLJ-AWEZNQCLSA-N 370.471 0.829 0 40 FCAB O=C(CCc1ccc2c(c1)OCO2)NCCn1nc2ccccn2c1=O 58231269 ALWQYSLOVOSQJD-UHFFFAOYSA-N 354.366 0.974 0 40 FCAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(CC(=O)N2CCOCC2)CC1 58218861 ZLCWMFDFWSDVFA-CQSZACIVSA-N 365.478 0.905 0 40 FCAB CC(C)/N=c1\ccccn1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 12821117 LSRMBUDGVIWGIN-XSFVSMFZSA-N 353.382 0.431 0 40 FCAB CCOc1ccc(CN(CC)C(=O)Cn2ccc(=O)[nH]c2=O)cc1OC 12983874 OLYYVXCLFKATGE-UHFFFAOYSA-N 361.398 0.993 0 40 FCAB COc1ccc(CCn2c(NCCO)nc3c2c(=O)[nH]c(=O)n3C)cc1 4386267 JTXTUYYZWOYGBS-UHFFFAOYSA-N 359.386 0.079 0 40 FCAB NC(=O)c1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 15498061 OEMCPERIFFDSLP-UHFFFAOYSA-N 372.406 0.853 0 40 FCAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCC(=O)N1CCOCC1 8013170 GZCRSMNPJGBHJA-UHFFFAOYSA-N 358.398 0.521 0 40 FCAB CON(C)S(=O)(=O)c1cccc(C(=O)NCCCc2n[nH]c(C)n2)c1 72311593 GHERTWVPOIOCOO-UHFFFAOYSA-N 367.431 0.658 0 40 FCAB O=C([C@H]1CCCCN1CCn1c(=O)oc2cccnc21)N1CCOCC1 89427167 GAMYTGLNSPYZPF-CQSZACIVSA-N 360.414 0.703 0 40 FCAB COC(=O)/C=C/c1ccc(OCc2cc(=O)n(C)c(=O)n2C)c(OC)c1 48235313 GWUKVORMKIHQQN-SOFGYWHQSA-N 360.366 0.858 0 40 FCAB Cc1nocc1CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccn(C)c2)C1 1069910262 MKDKSUKKQLOWSI-CVEARBPZSA-N 355.402 0.769 0 40 FCAB CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cnc4ccccc4c3)C2)C1=O 225385128 MUYHVMVQANLDOQ-WBVHZDCISA-N 366.421 0.223 0 40 FCAB biogenic,in-vitro Cn1ccnc1CN1CC[C@@H]2OCCN(S(=O)(=O)C3CC3)[C@@H]2CC1 248100404 DPASSACOARWACY-CABCVRRESA-N 354.476 0.578 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cc3c(OC)cccc3[nH]2)CCN1C(C)=O 257311669 UKOKYHBTFXBUJD-OAHLLOKOSA-N 358.398 0.595 0 40 FCAB Cc1ocnc1C(=O)N1CC[C@@](C)(O)[C@H](n2cnc3c(N)ncnc32)C1 257269957 MSDKCWONPMWGNR-QLJPJBMISA-N 357.374 0.543 0 40 FCAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3ncoc3C)[C@H]2O)CC1 257337460 YSVSUVVNGFTQST-IIAWOOMASA-N 350.419 0.159 0 40 FCAB O=C1NCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 665339998 SAGAOZYYFHRSOS-ZDUSSCGKSA-N 368.796 0.835 0 40 FCAB CN(Cc1ccccc1)[C@@H]1CCN(Cc2cc(=O)n3[nH]c(=N)[nH]c3n2)C1 621261642 YCWIIGWYUAQKTJ-OAHLLOKOSA-N 353.430 0.536 0 40 FCAB CC(C)S(=O)(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CS2)C1 575402309 AAXYLPWLIQJLFO-ZDUSSCGKSA-N 362.517 0.924 0 40 FCAB Cn1cc(S(=O)(=O)Oc2ccccc2C(F)(F)F)c(=O)n(C)c1=O 14099041 BVHQLAQAXDCOGF-UHFFFAOYSA-N 364.301 0.871 0 40 FCAB O=C(C1CCOCC1)N1CCO[C@H](CS(=O)(=O)NCc2ccco2)C1 521396991 DZRIDPWCPCFAPK-HNNXBMFYSA-N 372.443 0.353 0 40 FCAB COc1nn(C)cc1-c1nnc(SCC(=O)N2CCOCC2)n1C 12871302 NDZYHJRLHHUTKB-UHFFFAOYSA-N 352.420 0.175 0 40 FCAB CCN1CCN(C(=O)N2CC[C@@H](Oc3nc(C)cc(C)n3)C2)C(=O)C1=O 390828558 RXCCYTAWXYCAHL-CYBMUJFWSA-N 361.402 0.357 0 40 FCAB O=C(c1ccccc1)N1CCO[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]2C1 1142642273 YZSGQPRGGOJNRB-QXDIGNSFSA-N 356.422 0.878 0 40 FCAB CC(C)N(C(=O)CSc1nc2c(cnn2CCO)c(=O)[nH]1)C(C)C 7418393 GYNYNTBSBAIQHH-UHFFFAOYSA-N 353.448 0.849 0 40 FCAB COc1cc(OC)nc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086889694 NWYQGUXXTGSCKM-NSHDSACASA-N 356.448 0.887 0 40 FCAB COc1ccc(C(=O)Cn2c(S)nc3c2c(=O)n(C)c(=O)n3C)cc1 101026187 TYTWEGITJTTYJT-UHFFFAOYSA-N 360.395 0.614 0 40 FCAB CCC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CC(C)C 2384067 BIFHBGXFGOFSIV-ZDUSSCGKSA-N 362.308 0.429 0 40 FCAB CC(C)c1ccccc1OC[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 12629501 LZTBFFUPTSBBFO-CYBMUJFWSA-N 372.425 0.997 0 40 FCAB C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15957478 FITUUBFJCVHWRH-VJRXPSPPSA-N 369.421 0.730 0 40 FCAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1OC 16189060 OVORKDPWLLHPIG-UHFFFAOYSA-N 371.459 0.098 0 40 FCAB O=C(Cc1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 32853748 DEDOYRJRYRAALA-AWEZNQCLSA-N 368.430 0.474 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1 40057841 JRABVKWZGMNSMV-UHFFFAOYSA-N 365.455 0.967 0 40 FCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Oc3ccccc3C(N)=O)ccc21 51134053 DFBDZNMNNIGADQ-UHFFFAOYSA-N 361.379 0.744 0 40 FCAB CCCCNC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520429 QEHIUQZLMXGURZ-UHFFFAOYSA-N 365.459 0.673 0 40 FCAB COc1ccc(NC(=O)CNC(=O)N2CCN(c3ccccn3)CC2)cn1 72403454 RZYQTBIBEJTLMF-UHFFFAOYSA-N 370.413 0.956 0 40 FCAB CS(=O)(=O)N1CCOC[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1 96049884 VUULHJZGYXBHQX-CQSZACIVSA-N 360.457 0.251 0 40 FCAB CC[C@H](CN1CCN(C)CC1)NC(=O)CC1=NNC(=O)[C@@H]2C=CC=C[C@H]12 100767687 KTADHUSRTUUTIQ-OWCLPIDISA-N 359.474 0.363 0 40 FCAB O=C(NCCn1c(=O)[nH]c2ncccc2c1=O)c1cc(-c2ccco2)on1 225794598 RBWXNZMXWPGIIW-UHFFFAOYSA-N 367.321 0.763 0 40 FCAB O=C(CCCn1ccnc1)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O 257236167 HBAWUHAKRUJMID-JFIYKMOQSA-N 350.463 0.784 0 40 FCAB CC(=O)NCc1cnn(-c2ccccc2C(=O)N2CCC(C(N)=O)CC2)c1 257344212 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O=C(NCc1ccccc1)[C@H]1CN(C(=O)C2CC(O)C2)Cc2ncnn2C1 1614931845 FURTXGRSHMRQND-PCKAHOCUSA-N 369.425 0.324 0 40 FCAB Cc1cc(C)n(-c2cc(N3CCN(CC4(O)CCOCC4)CC3)ncn2)n1 2298187882 NNSXMNWWOXZQBT-UHFFFAOYSA-N 372.473 0.943 0 40 FCAB Cc1cc(=O)n(CC(=O)N2C[C@@H]3CN(c4ccc(F)cn4)C[C@@H]3C2)cn1 2298200127 WOHNRLKBZAJMAM-OKILXGFUSA-N 357.389 0.681 0 40 FCAB Cc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1C 784453 NZLWPEPFGHODEN-UHFFFAOYSA-N 367.471 0.793 0 40 FCAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N[C@@H]1CCS(=O)(=O)C1 3531247 OXIJWERRIBAGHU-GFCCVEGCSA-N 371.459 0.325 0 40 FCAB COCCn1cnc2c1c(=O)n(CC(=O)NC(C)C)c(=O)n2CC(C)C 10580124 RVEOVXCJQBBMLH-UHFFFAOYSA-N 365.434 0.187 0 40 FCAB CCn1cc([C@@H]2C[C@H](C(=O)N3CCCC3)N(C)S(=O)(=O)N2)c(C)n1 12130658 RZGWMDFEBWBYCZ-UONOGXRCSA-N 355.464 0.413 0 40 FCAB CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)O 12417069 JZJFUWJJEDHNRG-WPRPVWTQSA-N 374.440 0.891 0 40 FCAB COc1cc(OC)cc(C(=O)Nc2ccnc3c2c(=O)n(C)c(=O)n3C)c1 13010998 VABWZRHWCYQMQX-UHFFFAOYSA-N 370.365 0.902 0 40 FCAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CN1CCOC1=S 14200373 OQLPVUPBEPPKCW-ZDUSSCGKSA-N 372.516 0.866 0 40 FCAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20048459 UVBWLELPAOAIEH-LBPRGKRZSA-N 369.443 0.930 0 40 FCAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OCC(N)=O)cc1)CC(O)=N2 20731608 OTXMANZBNPKOST-NSHDSACASA-N 358.354 0.072 0 40 FCAB CCCCn1c(CN2CCN(CC)CC2)nc2c1c(=O)n(C)c(=O)n2C 22923874 FKBKFRBLPNEYJA-UHFFFAOYSA-N 362.478 0.371 0 40 FCAB CCOC(=O)C1=C(CSc2nc(C)c(CC(N)=O)s2)NC(=O)NC1 40025083 PPIUZOAIFMDCGI-UHFFFAOYSA-N 370.456 0.701 0 40 FCAB O=C(NCC[C@@H](O)C1CC1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 77108608 DCJPYQNZTVEDAG-OAHLLOKOSA-N 357.410 0.738 0 40 FCAB Cn1cnc(S(=O)(=O)N2CCC[C@@]3(C[C@H](n4cnnc4)CO3)C2)c1 96073847 KMMPEWNMMAXQGV-GXTWGEPZSA-N 352.420 0.197 0 40 FCAB COC(=O)C1=NN(CCC(C)=O)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]12 100944488 PQTJGXRJALZIPU-HOCLYGCPSA-N 371.393 0.985 0 40 FCAB Cc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 106714170 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CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)c3cccc(F)c3)C[C@@H]21 585110217 XTRSWEWEIUHDSH-TZMCWYRMSA-N 358.373 0.824 0 40 FCAB COC(=O)N(C1=Cc2ccccc2S1(=O)=O)[C@@H](CC(N)=O)C(=O)O 1570005736 MHXIEZZSMANFBH-VIFPVBQESA-N 354.340 0.169 0 40 FCAB Cn1ncc2c(N3CCN(c4cc(-n5cccn5)ncn4)CC3)ncnc21 1889211655 UQQJIOIEZPHAQB-UHFFFAOYSA-N 362.401 0.666 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2cccc(C)c2)CC1 2055746013 ZZUDZYKDUWAMBU-UHFFFAOYSA-N 355.442 0.983 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055773055 PMOWQGNXKGAYHZ-UHFFFAOYSA-N 368.381 0.702 0 40 FCAB Cn1c2ccc(F)cc2c2ncn(CCCN(CCO)CCO)c(=O)c21 2219168 MTEINZPSCKSVKM-UHFFFAOYSA-N 362.405 0.704 0 40 FCAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCn1ccnc1 4314096 RWZKMDNOGWUZIO-UHFFFAOYSA-N 355.402 0.590 0 40 FCAB COC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 4831902 ITHDNBAZZIEUGA-LKFCYVNXSA-N 366.171 0.829 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1OC 5008415 SKAFHOSBYBILAZ-RYUDHWBXSA-N 372.443 0.666 0 40 FCAB CN(C(=O)COC(=O)c1ccc(Cl)cc1O)[C@H]1CCS(=O)(=O)C1 5101836 IUOBMCCGUOPBEF-JTQLQIEISA-N 361.803 0.848 0 40 FCAB Cc1ccc(Sc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1 5707090 ZDAQKEGYECYJHL-SYEQVDHESA-N 374.422 0.897 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)O)[C@H]2CCS(=O)(=O)C2)c1 13030273 IBIROZQRCMYZLL-LBPRGKRZSA-N 361.441 0.566 0 40 FCAB CS(=O)(=O)N1CCN(CN2C(=O)NC3(CCCCCC3)C2=O)CC1 14138112 AMZNFYVNVGQPNU-UHFFFAOYSA-N 358.464 0.166 0 40 FCAB COCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229625 HODIDSIBPHRBMP-AWEZNQCLSA-N 356.444 0.919 0 40 FCAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24686186 PKLCAJRIHNBBDW-ZDUSSCGKSA-N 360.457 0.379 0 40 FCAB O=S(=O)(N1CCOCC1)N1CCN(c2nc3ccccc3o2)CC1 29531322 XASBKYZTSFEEIP-UHFFFAOYSA-N 352.416 0.527 0 40 FCAB CCCCS(=O)(=O)NCCNc1cc(N2CCOCC2)nc(C)n1 38488316 FQUAUTDVPSEFOM-UHFFFAOYSA-N 357.480 0.753 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-n3ccnc3)nc2)cc1 40043283 AFJAZYYWCFJPLD-UHFFFAOYSA-N 371.422 0.887 0 40 FCAB O[C@@H](CN1CCN(Cc2ccc3c(c2)OCCO3)CC1)Cn1cccn1 40153363 CPKQRIQXOFXYRQ-KRWDZBQOSA-N 358.442 0.833 0 40 FCAB COC(=O)c1cc(NC(=O)C(=O)NCCn2nc(C)cc2C)ccc1O 40287229 BGRYCYYRHYIVOA-UHFFFAOYSA-N 360.370 0.747 0 40 FCAB COC(=O)[C@H]1CC(=O)N(c2cccc(N3C[C@H](C(=O)OC)CC3=O)c2)C1 45953647 ROFAKUKPJSFSPU-TXEJJXNPSA-N 360.366 0.738 0 40 FCAB CC(C)NC(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O 49409286 GCYOHGLBMFJXIM-UHFFFAOYSA-N 355.460 0.938 0 40 FCAB C[C@H]1CCC[C@](CNC(=O)c2cn(CC(=O)N(C)C)nn2)(N(C)C)C1 56986416 KIYFQCXUGLLAHT-GUYCJALGSA-N 350.467 0.607 0 40 FCAB CCOC(=O)CN(CCOC)C(=O)CN1C(=O)[C@H](C)Oc2ccccc21 58393963 FJQMSZKLSBACQA-ZDUSSCGKSA-N 364.398 0.839 0 40 FCAB O=S(=O)(c1cccnc1)N1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 96108278 ZWVPRXYATKTJPH-ZBFHGGJFSA-N 353.444 0.051 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc(C)oc3C)C2)CN1CC1CC1 248010810 IXQLGKBHGNFDNP-INIZCTEOSA-N 361.442 0.948 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)c3cncc(C)c3)C2)CN1CC1CC1 253602581 PVDADGNLFMDUJR-MRXNPFEDSA-N 358.442 0.441 0 40 FCAB CC(C)C(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)c3ccccc3)C2)C1 514290252 VQXTUKDTWWHVCB-IAGOWNOFSA-N 357.454 0.815 0 40 FCAB biogenic,in-vitro Cn1c(N2CC[C@](C(=O)O)(C(F)(F)F)C2)nc2c1c(O)nc(=O)n2C 567983412 GIEMJTHTAWHGDM-LBPRGKRZSA-N 361.280 0.216 0 40 FCAB O=C(O)[C@@H]1[C@H](c2ccco2)N[C@H](c2ccco2)[C@H](C(=O)O)S1(=O)=O 575410713 CGTSLBOEZHNBPN-BKUVIOGVSA-N 355.324 0.579 0 40 FCAB CCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1cc(Cl)ccc1C 575425037 DJYNGOSHAWZBGA-RYUDHWBXSA-N 367.876 0.817 0 40 FCAB CCCCS(=O)(=O)N1CC[C@@H](CNc2nc(OC)cc(OC)n2)C1 585082509 AKCYJRRLBRQBJX-LBPRGKRZSA-N 358.464 1.358 0 40 FCAB Cn1cc(CN2Cc3cccn3C[C@@H](CCNS(C)(=O)=O)C2)cn1 585095559 XCDMIRLCNYIOJB-AWEZNQCLSA-N 351.476 0.793 0 40 FCAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2cnc[nH]2)CCO1 585285115 WBYXASYUNRLBRQ-QGZVFWFLSA-N 362.361 0.714 0 40 FCAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cnc2c(C(N)=O)cnn2c1 648055882 CAJCFEHFSKXRPU-INIZCTEOSA-N 364.409 0.501 0 40 FCAB COCc1n[nH]c(CNC(=O)N2CCN(c3cc(OC)ccn3)CC2)n1 666121488 MHPPAKNESBXAEH-UHFFFAOYSA-N 361.406 0.387 0 40 FCAB Cn1nc(C2CCN(c3ncnc4c3ncn4C)CC2)n(C2CC2)c1=O 1888897026 JNNMQRDDFDWXSN-UHFFFAOYSA-N 354.418 0.977 0 40 FCAB COc1cc(OC)nc(N2CCO[C@H](C(=O)N3CCSCC3)C2)n1 1889119393 JJIYQKJQHAZENF-NSHDSACASA-N 354.432 0.274 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccccc2F)CC1 2055745885 LWKVUOFGWFRUMZ-UHFFFAOYSA-N 359.405 0.814 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccccc2C)CC1 2055745928 QLTSCBALMPMJFX-UHFFFAOYSA-N 355.442 0.983 0 40 FCAB C[C@@H]1C[C@@H](C)CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 3455645 KMYZFKUOEQFQIN-ZIAGYGMSSA-N 353.488 0.971 0 40 FCAB C[C@H](O)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 4085256 LZBURFZSWMUWSF-VCJARVCASA-N 364.423 0.985 0 40 FCAB biogenic CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1 4454227 GKSMLSLZNNGNIE-LBPRGKRZSA-N 373.413 0.305 0 40 FCAB CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](NC(C)=O)[C@H]1OC(C)=O 5125096 FJEJQSQCOOUCJJ-SUMCQTLJSA-N 365.382 0.908 0 40 FCAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)O 5706764 WRDZCFUWKUEZOX-FPMFFAJLSA-N 352.387 0.889 0 40 FCAB NC(=O)[C@H]1CCCCN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 8980715 AVWMETUDRIKNFC-CYBMUJFWSA-N 364.471 0.372 0 40 FCAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O 9067491 VBJOTWCDSOAHHG-MRXNPFEDSA-N 350.350 0.958 0 40 FCAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(N)=O)C3)ccc21 12238876 NKHKUTFWBWJPFK-SNVBAGLBSA-N 353.400 0.500 0 40 FCAB COC[C@@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16685323 VDZSREIBCKNJFB-ABAIWWIYSA-N 358.398 0.782 0 40 FCAB C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 23440564 QUCSCBSSSKJHMJ-SECBINFHSA-N 373.381 0.744 0 40 FCAB CO[C@@H](/C=C/[C@@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1 34361063 STNNWPKHRBGYMO-JNLGJOGOSA-N 356.371 0.674 0 40 FCAB biogenic,in-vitro Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cn[nH]c2C)CC1 75469480 MXETWKXHTAZVGL-UHFFFAOYSA-N 353.404 0.470 0 40 FCAB Cn1cc(C(=O)NCC2CCN(C(=O)COc3ccccc3)CC2)nn1 96120349 PEDNBWXXOWXYMZ-UHFFFAOYSA-N 357.414 0.863 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccncc1)CC2 247827190 GDFDHXFAWNMPKP-OAHLLOKOSA-N 367.471 0.842 0 40 FCAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)C(C)(C)n1cncn1 257335363 YJVYGAAINYSYOY-KRWDZBQOSA-N 359.434 0.293 0 40 FCAB O=C(NC[C@@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1)N1CCCC1 306142844 XMIOAUYAMQPQJK-AWEZNQCLSA-N 371.445 0.915 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(C)CC1 408593921 OWZIRFKUQXPSGD-CYBMUJFWSA-N 355.460 0.444 0 40 FCAB CCN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(C(C)C)cc1 575421044 GJVJOTVBXCPUPQ-CABCVRRESA-N 361.485 0.979 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)c3c(C)noc3C)C[C@@H]21 585110189 VNQTUYKVMJNWIA-NWDGAFQWSA-N 359.386 0.289 0 40 FCAB O=C(NCCNc1cnccn1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 642225333 XBHJHWZSDZQEQK-UHFFFAOYSA-N 366.381 1.480 0 40 FCAB CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cc(-c2ccccc2F)no1 643551183 MKFIVXSRLPSMHG-HQQWDMGQSA-N 350.346 0.921 0 40 FCAB O=C(N1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1)C1(F)CCC1 1565549364 VTGIEYJOGBUFOK-PBHICJAKSA-N 365.405 0.912 0 40 FCAB Cc1nc(N2CC[C@@H](N(C)S(=O)(=O)C3CC3)C2)c2cnn(C)c2n1 1888856749 KHFCUQJXYGDODW-LLVKDONJSA-N 350.448 0.674 0 40 FCAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)C2CC(F)(F)C2)CC1 2055746485 MWIKHPZUUZAWHR-UHFFFAOYSA-N 355.389 0.985 0 40 FCAB Cn1c(=O)c2c(nc(SCc3ccc(C(=O)O)cc3)n2C)n(C)c1=O 1299068 QZCVZGJVAUXYRK-UHFFFAOYSA-N 360.395 0.961 0 40 FCAB COc1ccc(C(=O)Nc2ccn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)n2)cc1 1319740 ZASFNFUJGOZQBW-GZBFAFLISA-N 361.354 0.145 0 40 FCAB in-vitro C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)N3CCNC(=O)C3)c2)C1 3432837 VYPVJGLIACMDOU-CYBMUJFWSA-N 365.455 0.679 0 40 FCAB CCCCNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 4569485 WHJGTZXBSNLVAV-LBPRGKRZSA-N 373.500 0.934 0 40 FCAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 5339657 MVBKGFJRKFKQPG-AWEZNQCLSA-N 367.427 0.460 0 40 FCAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCCN1C1CCCCC1 6678313 RODMIMUAACYOEZ-UHFFFAOYSA-N 361.402 0.524 0 40 FCAB CN(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 8993417 JOEIDGDRUDYNSB-UHFFFAOYSA-N 369.425 0.628 0 40 FCAB CN1CCN(C(=O)CCn2cnc3c(cnn3-c3ccccc3)c2=O)CC1 12440172 CHJBWRJDVYJNLS-UHFFFAOYSA-N 366.425 0.746 0 40 FCAB C[C@H]1CN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 14914293 JMSJMFSDAUITHP-MJBXVCDLSA-N 369.487 0.490 0 40 FCAB Cc1nnnn1-c1cccc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 19716103 KRFGUSWRDQYJEJ-AWEZNQCLSA-N 364.431 0.028 0 40 FCAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)cnc21 24998850 HCZGIEUBEUPJIV-UHFFFAOYSA-N 374.397 0.474 0 40 FCAB COc1cc2nc(CN3CCC[C@@H]3C(=O)N(C)C)[nH]c(=O)c2cc1OC 27566457 JFVXVDHDAMRVPQ-CYBMUJFWSA-N 360.414 0.993 0 40 FCAB CC[C@@]1(C)NC(=O)N(NC(=O)CN(C)CCOc2ccccc2F)C1=O 29141208 AIFHJGOJXWDDDA-QGZVFWFLSA-N 366.393 0.888 0 40 FCAB Cn1cc(S(=O)(=O)NCC(=O)NCCc2ccc(Cl)cc2)cn1 32913269 HEMLOEDSFLXJQU-UHFFFAOYSA-N 356.835 0.711 0 40 FCAB COc1c2c(c(S(=O)(=O)N(C)CCO)c3c1OCO3)CCN(C)C2 40309455 WEGUUMJEKMMRLK-UHFFFAOYSA-N 358.416 0.025 0 40 FCAB biogenic CN1C(=O)N(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(=O)C12CCCCC2 43462062 PQCMIYHTWALVES-HNNXBMFYSA-N 371.459 0.277 0 40 FCAB CN1C(=O)[C@H](NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)c2ccccc21 44893423 WILATQFAMXTWRY-GDBMZVCRSA-N 370.409 0.832 0 40 FCAB O=S1(=O)C[C@H](NCc2ccncc2)[C@@H](S(=O)(=O)c2cccs2)C1 55408346 USDSLFMEUHJYBS-STQMWFEESA-N 372.493 0.872 0 40 FCAB COc1ccc(OC)c(NC(=O)Cn2nc(N3CCOCC3)ccc2=O)c1 71287983 WQWZPIBZNQCMQZ-UHFFFAOYSA-N 374.397 0.736 0 40 FCAB COc1ccc(S(=O)(=O)NCCn2cnc(C)c(C)c2=O)cc1F 75166404 BCJFYVVSPLSIDC-UHFFFAOYSA-N 355.391 0.986 0 40 FCAB Cc1nc(NCCNC(=O)[C@H]2CCC(=O)N2)cc(Nc2ccccn2)n1 85472261 DYDRNYOTBJYXDF-GFCCVEGCSA-N 355.402 0.730 0 40 FCAB COCCC(=O)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 96080358 AGDPDCMGDPLDRF-GOSISDBHSA-N 362.430 0.350 0 40 FCAB CN(C)c1nccnc1C[C@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 257205036 AXJIHUDWYRKFJD-GFCCVEGCSA-N 350.448 0.909 0 40 FCAB Cn1c(=O)c2ccc([C@H]3CCN(C(=O)CN4CCCC4)C3)nc2n(C)c1=O 257279247 OFSYTZQINVPACL-ZDUSSCGKSA-N 371.441 0.044 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1NC(C)=O 408562016 WZZQWRFBLLYFJA-UHFFFAOYSA-N 369.443 0.930 0 40 FCAB CN(C)S(=O)(=O)c1cccc(CN2CCS(=O)(=O)C[C@H]2C2CC2)c1 577934163 SVDBFLTZCLGJDZ-INIZCTEOSA-N 372.512 0.946 0 40 FCAB CCCCN1CCC[C@]2(CC(C(=O)NCCN3CCNC3=O)=NO2)C1 585101226 PEWOWFATQLNSEH-KRWDZBQOSA-N 351.451 0.539 0 40 FCAB COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)Cc2ccccc21 600883256 HRUWSJORMVEFHG-GXTWGEPZSA-N 352.412 0.656 0 40 FCAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CC[C@H](NC(C)=O)C1 622724574 HCXUTWMXDMZMLA-JTQLQIEISA-N 364.793 0.675 0 40 FCAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)C4CCC4)C[C@@H]23)n1 1549161664 IQNFATWMZCPOSB-CQSZACIVSA-N 357.414 0.807 0 40 FCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(c2ccc(C)nn2)CC1 2055746267 ILRYYPFJDAURCX-UHFFFAOYSA-N 373.461 0.154 0 40 FCAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccn(C)n2)C1 2055750594 IZVPSYCCUTVUKW-GOSISDBHSA-N 359.405 0.931 0 40 FCAB COc1cnc(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)nc1 2055795866 KYPGGZIVLYIVMO-OAHLLOKOSA-N 374.441 0.880 0 40 FCAB O=C(COC(=O)c1ccc(OC(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 5228550 FRXISQUJXCLTSH-JTQLQIEISA-N 363.338 0.748 0 40 FCAB CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 8507565 VCPLCWVZAYWIEC-LLVKDONJSA-N 357.363 0.119 0 40 FCAB CC1(C)NC(=O)N(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1=O 9365907 MOCPSWTWFKAAQA-LBPRGKRZSA-N 371.459 0.275 0 40 FCAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCOCC1 13517573 IXYJZTKPAVGMFN-UHFFFAOYSA-N 353.382 0.831 0 40 FCAB COc1ccccc1C(=O)O[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 14075740 IMBREWUPALHEOY-VIFPVBQESA-N 361.354 0.103 0 40 FCAB COc1ccc(-c2noc(C(=O)NCCN3CCOCC3)n2)cc1OC 20677680 FZOJYNMVMKRVRR-UHFFFAOYSA-N 362.386 0.816 0 40 FCAB NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CCC(=O)Nc1cccnc1 22990909 IFOHTGNESAXWRE-UHFFFAOYSA-N 362.367 0.666 0 40 FCAB CN(C)C(=O)c1cccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1 55220275 KEKYFNXCLXXVKR-UHFFFAOYSA-N 354.428 0.916 0 40 FCAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 58264667 WIIPMBSQTQMBKT-CQSZACIVSA-N 367.471 0.972 0 40 FCAB Cn1nc(CC(=O)NCC(=O)Nc2cccnc2)c2ccccc2c1=O 58323677 NAEQFTDVTLVGQP-UHFFFAOYSA-N 351.366 0.626 0 40 FCAB CN(C)CCNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72325859 BKKNNGBBLLIUOS-LJQANCHMSA-N 373.457 0.229 0 40 FCAB COc1cccc(CNC(=O)[C@@H](C)N2CCN(Cc3n[nH]c(C)n3)CC2)c1 89497126 ATHFUGQFCFBDST-CQSZACIVSA-N 372.473 0.944 0 40 FCAB C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 95430126 TUTLKMWHCWLTSZ-LBPRGKRZSA-N 355.460 0.648 0 40 FCAB CN(C)CCN1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@H]2C1=O 96080625 PCPKRLDJSMBRCR-CVEARBPZSA-N 351.472 0.468 0 40 FCAB CC(C)NC(=O)C1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)CC1 223205415 CGEPTXJKMXLVJE-UHFFFAOYSA-N 372.429 0.804 0 40 FCAB C[C@@]12C=C(Cl)[C@@](Cl)([C@H](C(=O)O)[C@@H]1C(=O)O)[C@H](C(=O)O)[C@H]2C(=O)O 253476386 GAUWFYWDNGIVSY-HLTNJDAKSA-N 367.137 0.923 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cnc(C)nc2)CCN1CCc1ccccc1 257307324 SYEUVMNUPCERNG-GOSISDBHSA-N 367.453 0.900 0 40 FCAB CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)nc2)C1 270692034 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0.195 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 257262344 LLBAKOKISPGEPI-SECBINFHSA-N 359.433 0.105 0 40 FCAB Cc1nccn1CC(=O)N1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 257303896 SJEIOGOVUZETHJ-IRXDYDNUSA-N 354.410 0.830 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(Cn3cccn3)c2)CCN1 257331640 XTRCKRDLNYWCFU-OAHLLOKOSA-N 357.414 0.100 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 306132674 LPDLNRFNMRMTJD-AGIUHOORSA-N 351.428 0.527 0 40 FCAB O=C(c1cccc(-n2cccn2)c1)N1CCC(N2C(=O)COCC2=O)CC1 575608231 MKALIOGTYYVHOE-UHFFFAOYSA-N 368.393 0.862 0 40 FCAB COCCNC(=O)Cc1cn2c(n1)[C@@H](C)N(C(=O)c1cnccn1)CC2 585096871 BUAAUPYWYSKBSN-GFCCVEGCSA-N 358.402 0.195 0 40 FCAB CS(=O)(=O)CCN1C[C@]2(CCCN(Cc3cnc(Cl)cn3)C2)C1=O 585099586 RSMDPEZCCODCBL-OAHLLOKOSA-N 372.878 0.599 0 40 FCAB C[C@@H]1C[C@H](C(=O)NCc2ccccc2CS(C)(=O)=O)O[C@H]1C(=O)O 630183781 UBVZHZQYIWHIKU-LERXQTSPSA-N 355.412 0.726 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@]2(CCCN(c3nncs3)C2)C1 1565546124 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CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NC[C@@H]2CCCO2)n1 9037693 KCUCHEQFJGVNQE-LBPRGKRZSA-N 374.401 0.060 0 40 FCAB CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 9483828 QHMCJQRKUJFRFG-UHFFFAOYSA-N 365.864 0.371 0 40 FCAB COc1cccc([C@@H]2C[C@H](C(=O)N3CCCC3)N(C)S(=O)(=O)N2)c1 12159546 QNXVRFHOWZOBBO-LSDHHAIUSA-N 353.444 0.897 0 40 FCAB Cc1nc(C)n([C@@H](C)CNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 12188036 FLOXFEVDHNMFSP-VIFPVBQESA-N 365.415 0.765 0 40 FCAB CCNC(=O)/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 12873418 GZGDOZVKJXBLRO-CMDGGOBGSA-N 365.455 0.520 0 40 FCAB COC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 12874231 PDYPVRKHEWCKFZ-UGSOOPFHSA-N 362.382 0.933 0 40 FCAB CN(C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 12942774 KVDXSQMBKKQTTI-CYBMUJFWSA-N 372.468 0.386 0 40 FCAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)CN1C(=O)c2ccccc2C1=O 25118337 GQTMYSVCTNTCRP-LBPRGKRZSA-N 356.378 0.963 0 40 FCAB CC(C)C(=O)NCCNC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 32801879 JFJCQTCHBUKAHI-NSHDSACASA-N 356.448 0.466 0 40 FCAB CCC[C@H](C)NC(=O)COC(=O)c1ccc(OC)c(S(N)(=O)=O)c1 39580358 VGRDMMWJOMHWFI-JTQLQIEISA-N 358.416 0.804 0 40 FCAB CCN(CC)CCN(C(=O)c1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 89968982 CSSVSDZOSLBNOA-CQSZACIVSA-N 356.492 0.700 0 40 FCAB CN(C)S(=O)(=O)NCCn1nc(-n2ccc3ccccc32)ccc1=O 96097971 IGOGQWOYGDMYQC-UHFFFAOYSA-N 361.427 0.583 0 40 FCAB Cc1nccn1CC(=O)N1CC[C@H](O)[C@@H](N(C)C2CCOCC2)CC1 257257350 KPDXGHCQFYDUPN-IRXDYDNUSA-N 350.463 0.654 0 40 FCAB CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cccc3nc(O)[nH]c23)CC1 557492072 XWSODKYADMHYBW-LBPRGKRZSA-N 359.430 0.941 0 40 FCAB CCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Cl)cc1 575425229 RKNACWKVBWJOMH-RYUDHWBXSA-N 353.849 0.509 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc3c2OCO3)CCO1 681942776 PRHKGAJLKIAJGV-LBPRGKRZSA-N 364.354 0.189 0 40 FCAB O=C(CC1(O)CCC1)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 1142618365 PUHJJCGUBGVIHO-UHFFFAOYSA-N 360.414 0.506 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)NC[C@]1(OCCO)CCSC1 1565519336 DYEINTRAPGHXCA-CQSZACIVSA-N 365.448 0.997 0 40 FCAB Cn1cc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)nn1 1888906380 ZNOYXJNLLAYRKU-STQMWFEESA-N 351.414 0.910 0 40 FCAB Cc1nc(CN2C[C@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@@H]3C2)no1 1888930493 ZGFKFEZKMXBQSE-STQMWFEESA-N 373.438 0.891 0 40 FCAB O=C1NC(=O)[C@](Cc2ccc(N(CCO)CCO)cc2)(c2ccccc2)N1 1685193 NONYFTYHNZJDQV-FQEVSTJZSA-N 369.421 0.755 0 40 FCAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 3380140 XLOAJVMVHXDFSP-UHFFFAOYSA-N 361.354 0.987 0 40 FCAB O=[N+]([O-])O[C@@H]1CCC[C@@H](O[N+](=O)[O-])c2c1[n+]([O-])c1ccccc1[n+]2[O-] 5760244 VNBOEPICNCWUHT-GHMZBOCLSA-N 352.259 0.789 0 40 FCAB C[C@H](NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1ccccc1 5918317 BQDVEYLBDMFYPY-ZDUSSCGKSA-N 363.439 0.976 0 40 FCAB O=C(OCC(=O)N1CCN(c2ncccn2)CC1)c1n[nH]c2ccccc12 8153141 HMMLCQSDGYBEBD-UHFFFAOYSA-N 366.381 0.859 0 40 FCAB Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2F)n(C)c1=O 8701220 QHSFDOLSCFUEQS-UHFFFAOYSA-N 372.404 0.031 0 40 FCAB COCCNC(=O)c1ccccc1NC(=O)C(=O)NCc1cccnc1 9423317 KLGLTGNLLWGJQY-UHFFFAOYSA-N 356.382 0.713 0 40 FCAB O=C(Cn1ccnc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 10809832 PVGKHEGPLJOXCW-UHFFFAOYSA-N 370.381 0.694 0 40 FCAB Nc1nc(N)nc(SCC(=O)NC(=O)NCCc2cccs2)n1 12601605 GQCOOANVIGHMBJ-UHFFFAOYSA-N 353.433 0.258 0 40 FCAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCN1C(=O)c2ccccc2C1=O 13147586 BOKUUODCPSGILL-RYUDHWBXSA-N 370.361 0.959 0 40 FCAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ncccn1 16747456 SELUXVSCNMRRGY-UHFFFAOYSA-N 350.425 0.805 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C)CC3)C2)cc1 19929758 DZASGHXFPPKDHN-UHFFFAOYSA-N 366.487 0.033 0 40 FCAB O=C(NCCO)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007612 OESUFKYFUIIIMF-INIZCTEOSA-N 366.414 0.824 0 40 FCAB COc1ccc(S(=O)(=O)NCC(=O)N(C)C)cc1Br 24073257 SUDGPELIGDTQMR-UHFFFAOYSA-N 351.222 0.824 0 40 FCAB CC1=C(C(N)=O)C(=O)NC(=O)/C1=C/c1c(C)nn(-c2ccccc2)c1O 35183206 SQPYFNBWTSSYDS-XYOKQWHBSA-N 352.350 0.728 0 40 FCAB CC(=O)N1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC1 39984808 BBTWSSVLKLOXLL-GFCCVEGCSA-N 365.455 0.702 0 40 FCAB CN1CCC(N(CCO)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 40155866 JWQXYHTXBWWLBP-UHFFFAOYSA-N 356.448 0.254 0 40 FCAB CC(C)NC(=O)CNC(=O)c1nc(COc2ccccc2C(N)=O)no1 40288605 HEJHVVSTZMBSIH-UHFFFAOYSA-N 361.358 0.002 0 40 FCAB C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)s1 46813414 NYDRLDSKHKEEQV-ZETCQYMHSA-N 363.848 0.838 0 40 FCAB CCOCCS(=O)(=O)NCC(=O)N[C@H]1CCN(CC2CCCC2)C1 79097193 ITPGUDYULHVBTP-HNNXBMFYSA-N 361.508 0.323 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2cccnc2)C[C@]2(CC(=O)N(C)C2)C1 96036110 ASVJIPMKNHEIRY-LJQANCHMSA-N 373.457 0.806 0 40 FCAB COCCN1C[C@H]2CN(C(=O)c3ccco3)CCN2C[C@H](C(=O)O)C1 96064138 XULLORJRGLEDQE-KGLIPLIRSA-N 351.403 0.069 0 40 FCAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(S(=O)(=O)C4CC4)C[C@@H]32)N=C1C 96261525 FSCJLKOBEOAWNV-IVMMDQJWSA-N 355.460 0.466 0 40 FCAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(C(=O)c3cccnc3)CC2)C1 108534509 HQNAJOGEDJPMAZ-CQSZACIVSA-N 353.444 0.785 0 40 FCAB C[C@H](NC(=O)NC(=O)CSc1nc(N)nc(N)n1)[C@H]1C[C@H]2CC[C@H]1C2 108845926 TYTOOKWAQOLAKV-AATLWQCWSA-N 365.463 0.779 0 40 FCAB Cc1nnc2c(N3CCN(C(=O)c4cnn5cccnc45)CC3)nccn12 225798922 CAQKXJRIEFWFAG-UHFFFAOYSA-N 363.385 0.438 0 40 FCAB COC(=O)COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1F 226687338 DMMJVFXSXRPSLU-UHFFFAOYSA-N 371.390 0.943 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2nccnc2-c2cn[nH]c2)CC1 257252835 JWGVSUMXDRWYDU-UHFFFAOYSA-N 350.448 0.928 0 40 FCAB CC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3ccc(C)cc3O)[C@H]2O)CC1 257258425 KTUPPCSODFTAHH-JFIYKMOQSA-N 361.442 0.486 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)c2cccc(O)n2)C1 257342645 ZPNPROURSKHJLH-JTQLQIEISA-N 350.400 0.934 0 40 FCAB CCS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)N2CCN(C)CC2)s1 331003817 KTVLMNMJQPSXEV-GFCCVEGCSA-N 359.517 0.794 0 40 FCAB Cc1cccc(C[C@]2(CO)CN(C(=O)Cn3ccccc3=O)CCO2)c1 585279451 ZHUQKZLYFKKNTL-HXUWFJFHSA-N 356.422 0.989 0 40 FCAB O=C(NCc1ccccn1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)c2csnn2)C1 1614937114 GQJKRGHWLVXZJJ-KCPJHIHWSA-N 373.438 0.869 0 40 FCAB COc1nc(N2CCO[C@@H](C(=O)NC3CC3)C2)ncc1Br 1888853479 KORBBSCPWUEVTP-SNVBAGLBSA-N 357.208 0.732 0 40 FCAB Cn1cnc(S(=O)(=O)N2CCO[C@@H]3[C@@H](Cn4cccn4)CC[C@H]32)c1 2055719448 GIVOZNOGDDAADB-UMVBOHGHSA-N 351.432 0.485 0 40 FCAB CNC(=O)C1(Nc2cccc(F)c2)CCN(S(=O)(=O)N(C)C)CC1 2055738915 ZUXDHSONBRGHNM-UHFFFAOYSA-N 358.439 0.625 0 40 FCAB CC1=NN(CC(=O)C(C)(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C 5148049 ATCWLFJFBPFFIY-JTQLQIEISA-N 360.418 0.806 0 40 FCAB CN1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 5201465 HGXOWHCBTQHKRA-CYBMUJFWSA-N 360.414 0.520 0 40 FCAB CCC(CC)NC(=O)COn1nnc2ccc(S(=O)(=O)N(C)C)cc21 5457329 ASFHUSCYUGCPOZ-UHFFFAOYSA-N 369.447 0.415 0 40 FCAB CNc1nnc(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)s1 8251503 TWTCXSNAYJHZCO-UHFFFAOYSA-N 369.472 0.860 0 40 FCAB Cc1cccc(OCCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 12737411 AQXUKAHNBLRZTQ-UHFFFAOYSA-N 368.393 0.749 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)OCc2ccc(C(N)=O)cc2)n(C)c1 12973159 YRDRQJGLIBVANZ-UHFFFAOYSA-N 351.384 0.389 0 40 FCAB Cc1cc(N2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC2)nc(C(C)C)n1 14134720 RDYNYXFBUGLHJE-UHFFFAOYSA-N 372.429 0.107 0 40 FCAB OC[C@H]1O[C@H](Oc2c[nH]c3ccc(Br)cc23)[C@@H](O)[C@@H](O)[C@@H]1O 14860993 LINMATFDVHBYOS-DGTMBMJNSA-N 374.187 0.109 0 40 FCAB Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)o2)nn1C 16847933 AFBGYUVKQGUCRE-JTQLQIEISA-N 354.392 0.141 0 40 FCAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cccc(-n2cnnn2)c1 21243444 PCJQYCDRWNMUAK-UHFFFAOYSA-N 372.366 0.618 0 40 FCAB CC(C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22228091 DIWHKHISWGGXHZ-UHFFFAOYSA-N 355.460 0.557 0 40 FCAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCOCC1 23114516 HEAQTRIBCQBZQU-UHFFFAOYSA-N 374.445 0.026 0 40 FCAB CC1(C)Cc2cccc(OCC(=O)N3CCN(S(C)(=O)=O)CC3)c2O1 24236013 AAMQZZHTIFCFGS-UHFFFAOYSA-N 368.455 0.883 0 40 FCAB O=C(CCc1nnc2ccc(NC[C@H]3CCCO3)nn12)N1CCOCC1 32105520 SPCJSGZGZVDDPS-CYBMUJFWSA-N 360.418 0.507 0 40 FCAB Cc1cccc(C(=O)c2c(Cn3ccc(=N)cc3)n(C)c(=O)n(C)c2=O)c1 36365058 PDRQZWHZALEOQQ-UHFFFAOYSA-N 364.405 0.953 0 40 FCAB CCCCN(C(=O)Cn1nnnc1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 48302833 DZMBAYAVHWCIBS-GFCCVEGCSA-N 357.480 0.786 0 40 FCAB O=C(N1CCCC1)N1CCOC[C@]2(C1)CN(c1cccnc1)C(=O)CO2 96051361 VVATZJIUKOJDMV-SFHVURJKSA-N 360.414 0.732 0 40 FCAB CC(C)CC(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(C(=O)N(C)C)C[C@H]12 96143532 NAZUBNVVTJMMES-UONOGXRCSA-N 350.463 0.753 0 40 FCAB CN(C)S(=O)(=O)c1ccc(OCc2ncc(C(=O)O)c(=O)[nH]2)cc1 226105112 UKQZHNONZGSCRD-UHFFFAOYSA-N 353.356 0.297 0 40 FCAB COC(=O)[C@]1(CO)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231642558 USVWRFCLHXFEDW-DSZLRUIBSA-N 352.774 0.119 0 40 FCAB CN(C)c1nc(C2CCN(S(=O)(=O)N(C)C)CC2)cn2nccc12 257293827 QRIISAQYOKYESO-UHFFFAOYSA-N 352.464 0.781 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)N1Cc2ccnn2C[C@@H](CN(C)C)C1 306133931 MZQJUXSGQNJBQG-AWEZNQCLSA-N 366.491 0.616 0 40 FCAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCn3nc(CC)nc32)C1 331443440 KQUCIOKGVPGCCX-NEPJUHHUSA-N 370.479 0.399 0 40 FCAB CC(=O)N1CCC(N2CC3(CN(CC(C)C)C[C@@H]4C[C@@H](O)CN43)C2)CC1 514288891 GSQWHZLZQSWQDM-RBUKOAKNSA-N 364.534 0.459 0 40 FCAB biogenic,in-vitro C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c2nccn21 527992672 ZTNWUPQUHQJNKS-DGCLKSJQSA-N 353.448 0.708 0 40 FCAB Cc1noc(CC(=O)N2C[C@H]3OCCN(C(=O)c4ccccc4)C[C@H]3C2)n1 585107962 MYBHTMIQVIOIQG-JKSUJKDBSA-N 370.409 0.920 0 40 FCAB N[C@H](C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(F)cc1F 662733535 LKYDCSTYOYQWPN-PBHICJAKSA-N 368.428 0.487 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cnc(C(C)(C)C)nc3)C2)C1 685942552 OUKLGTMLMUJOKH-LLVKDONJSA-N 359.430 0.193 0 40 FCAB Cn1cnc(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3ccccn3)C2)n1 2055772751 YHKOVIPZBLRPPL-RRFJBIMHSA-N 370.413 0.004 0 40 FCAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)c3c(C)noc3C)C2)n(C)n1 2332241614 NZDZBHYWDMRDTL-YNEHKIRRSA-N 369.447 0.704 0 40 FCAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1=COCCO1 3179854 MHYBCDDOVMDXRN-UHFFFAOYSA-N 354.384 0.534 0 40 FCAB COCCN(CCOC)S(=O)(=O)CCNC(=O)c1ccc(OC)cc1 5302024 UTNKVSYXMQDKPM-UHFFFAOYSA-N 374.459 0.350 0 40 FCAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCN(C)C 10111678 YDJHXCLPEHTPNR-UHFFFAOYSA-N 355.460 0.771 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)NCCCn3cnc4ccccc43)cnc21 12515309 OHUWETDNOTYTMC-UHFFFAOYSA-N 365.397 0.686 0 40 FCAB COc1ccc(C)cc1N(CC(=O)N1CCN(C=O)CC1)S(C)(=O)=O 13647006 RNQAYMMSHWTROV-UHFFFAOYSA-N 369.443 0.070 0 40 FCAB CCOC(=O)C(NC(=O)CCNC(=O)c1ccccc1)C(=O)OCC 14135190 GBPSBUSNWVYLKH-UHFFFAOYSA-N 350.371 0.418 0 40 FCAB Cn1c(CN2CCC(C(N)=O)(N3CCOCC3)CC2)nc2ccccc21 19656993 CETHLASXBUHNAZ-UHFFFAOYSA-N 357.458 0.725 0 40 FCAB CC1CCN(CC(=O)Nc2cnn(CC(=O)NC[C@H]3CCCO3)c2)CC1 19746382 FDKDNCPBGKRGDO-MRXNPFEDSA-N 363.462 0.849 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2)CC1 24258350 MQGSOENPJMUOBK-UHFFFAOYSA-N 356.400 0.936 0 40 FCAB O=C(NCCn1nc2ccccn2c1=O)[C@@H]1CCCN(c2ncccn2)C1 57240375 SUAYLEKIOWNCND-CQSZACIVSA-N 367.413 0.319 0 40 FCAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(c2ncccn2)CC1 103050318 CDOXCSVPBFNCDJ-GASCZTMLSA-N 369.425 0.467 0 40 FCAB COCCNC(=O)[C@@H]1COC2(CN(Cc3cccc4[nH]ccc34)C2)CN1C 247720773 AMQGSBSXIFHBAX-SFHVURJKSA-N 372.469 0.816 0 40 FCAB CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1 546698234 ZGICFYWZBLYWRA-ZBFHGGJFSA-N 370.471 0.436 0 40 FCAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 643944353 APWOWDSCZOMHAC-LJQANCHMSA-N 359.426 0.916 0 40 FCAB O=C(O)[C@H]1c2ccccc2CCN1C(=O)Cn1nc2n(c1=O)CCCC2 663149758 YZLWTHSXBLZLGM-MRXNPFEDSA-N 356.382 0.592 0 40 FCAB O=S(=O)(N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(C2CC2)nn1)c1ccsc1 1549161877 PAIJNQSMEJXUES-BFHYXJOUSA-N 370.456 0.324 0 40 FCAB O=C([C@H]1CCOC1)N1CC[C@H]2C(=O)N(Cc3ccncc3)CCO[C@H]2C1 1565550301 XWSZVSZWTLTKMR-BBWFWOEESA-N 359.426 0.694 0 40 FCAB COC1(CC(=O)N2CCn3c(nc(Cn4cncn4)cc3=O)C2)CCC1 1565555959 KLVYISPUGPMRCR-UHFFFAOYSA-N 358.402 0.185 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 1586137449 CRIQXOQAGHZPPX-GFCCVEGCSA-N 367.427 0.671 0 40 FCAB COc1ccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cc1 2629560 NBEHUYZSRCJKAS-UHFFFAOYSA-N 352.368 0.664 0 40 FCAB CCOC(=O)CNC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4479792 FNFOTJVYVXZTBI-LLVKDONJSA-N 365.386 0.671 0 40 FCAB CCOC(=O)C(=O)N1Cc2cc3c(cc2[C@H]2C[C@@H](O)[C@@H](O)C[C@H]21)OCO3 5048548 VMWHTRDXLWGFIV-SYQHCUMBSA-N 363.366 0.288 0 40 FCAB COCCNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 5250736 GJEKGGIINPUKEU-UHFFFAOYSA-N 355.416 0.318 0 40 FCAB C[C@@H]1C(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C(=O)N1c1ccc(F)cc1 11521167 UZNWTANLRDGLMA-SNVBAGLBSA-N 360.345 0.580 0 40 FCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccc(OC)cc1 13535650 SGMFRXDIRHVRFL-CABCVRRESA-N 361.398 0.734 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 21965676 CGOJXEIPVPCJRR-UHFFFAOYSA-N 361.489 0.580 0 40 FCAB O=C1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CCN1 28630296 SFTPDWPDODMHAT-UHFFFAOYSA-N 351.353 0.775 0 40 FCAB O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 29383664 AAONQBREVJFKLM-VOTSOKGWSA-N 365.455 0.421 0 40 FCAB COc1cc2ncn(CCC(=O)N3CCN(C=O)CC3)c(=O)c2cc1OC 32074661 HVRDWFALVXONJT-UHFFFAOYSA-N 374.397 0.104 0 40 FCAB CN1C(=O)Cc2cc(S(=O)(=O)NCC(=O)NC3CCCCC3)ccc21 36105607 IHZUNONHAHZOLE-UHFFFAOYSA-N 365.455 0.933 0 40 FCAB COC(=O)c1ccc(CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 36386317 LBTJDSXCUHFBBA-UHFFFAOYSA-N 374.441 0.579 0 40 FCAB COC[C@@H](C)NC(=O)CS(=O)(=O)Cc1cc(C(C)=O)ccc1OC 40161968 KBNVGAKTGHTLOG-LLVKDONJSA-N 357.428 0.964 0 40 FCAB CC(C)COC[C@@H](O)CNC(=O)NCCc1nnc2n1CCCCC2 45383316 HAMNQUTYZZKHQM-AWEZNQCLSA-N 353.467 0.880 0 40 FCAB COc1ccc(S(=O)(=O)N2CC[C@H](C)C2)cc1[C@@]1(C)NC(=O)NC1=O 75582105 SBZOJDPCZNXZFQ-MGPLVRAMSA-N 367.427 0.780 0 40 FCAB O=C([C@@H]1CCCCN1CCn1c(=O)oc2cccnc21)N1CCOCC1 89427169 GAMYTGLNSPYZPF-AWEZNQCLSA-N 360.414 0.703 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC(=O)O 95955718 GMIHQYYGJLUWDN-UHFFFAOYSA-N 356.400 0.220 0 40 FCAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(S(=O)(=O)c3cn(C)cn3)C2)n1 96038922 TYEKOCFBUKKWEF-IJLUTSLNSA-N 353.404 0.447 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 101306074 AKOBZUGGULHISJ-WCQYABFASA-N 363.757 0.979 0 40 FCAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)N[C@H]1CCS(=O)(=O)C1 108826716 GMNYAYYAVXEZMQ-HNGCFSAESA-N 357.428 0.228 0 40 FCAB Cn1ncc2c(N3CCN(C(=O)Cc4ccccc4F)CC3)nc(N)nc21 565222419 PADRMBAMVAJUHI-UHFFFAOYSA-N 369.404 0.976 0 40 FCAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNC2CCCCC2)C1 585291269 MNIUEURSCJPVTE-SJORKVTESA-N 354.472 0.705 0 40 FCAB CC(=O)N1CCC(N2C[C@@H]3OCCS(=O)(=O)N(CC(C)C)[C@@H]3C2)CC1 1534645863 MTRWNWHIJNSSNP-SJORKVTESA-N 373.519 0.368 0 40 FCAB Cc1nnc([C@H]2CN(C)C(=O)[C@H]3CCN(C(=O)[C@H]4[C@H]5COC[C@H]54)CC[C@H]32)o1 1565546429 AXKYWJZLLPRFTA-HLZFJGBKSA-N 374.441 0.681 0 40 FCAB O=C(CC1(O)CCC1)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 1565546448 BNMGMBRRXJRFOJ-IFXJQAMLSA-N 359.426 0.730 0 40 FCAB COCC(=O)NCCC(=O)N[C@H]1CCN(C(=O)C2C(C)(C)C2(C)C)[C@@H]1C 1702702718 SPSNIDRYPIXUBD-OLZOCXBDSA-N 367.490 0.927 0 40 FCAB O=C(CSc1nc(O)cc(=O)[nH]1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 1323579 ZIMRYGMCZYKLBF-WDEREUQCSA-N 374.422 0.375 0 40 FCAB biogenic Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2C[C@H](O)c1ccccc1 4454236 BEPICYJFXVRTAY-ZDUSSCGKSA-N 355.398 0.757 0 40 FCAB COc1ccc(OC)c(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 4945138 ZAXDIYXNKPAECR-UHFFFAOYSA-N 371.397 0.993 0 40 FCAB C[C@@H](C(=O)Nc1ccccc1C(N)=O)n1c(=O)[nH]c2ccccc2c1=O 9041984 LFDMFBXJJCLBJT-JTQLQIEISA-N 352.350 0.988 0 40 FCAB biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]c3=O)CC2)s1 9497526 OOEBSTJTPSAXLF-UHFFFAOYSA-N 367.452 0.892 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 14208808 AVFIJGXSWDOREP-CYBMUJFWSA-N 357.432 0.551 0 40 FCAB CCCn1nc(Oc2nc(N(C)C)nc(N3CCOCC3)n2)ccc1=O 16649665 RKSIKMBWJQHADY-UHFFFAOYSA-N 361.406 0.533 0 40 FCAB O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)N1CCCCCC1 23401016 QGKXBEGIFOHOGB-UHFFFAOYSA-N 372.491 0.952 0 40 FCAB O=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)NCc1ccccc1 28560298 NRWHOQALINNJBN-UHFFFAOYSA-N 352.350 0.879 0 40 FCAB Cc1ccnn1CCNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 49547023 OYGGNTIIZUBTID-UHFFFAOYSA-N 356.386 0.137 0 40 FCAB CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 56184315 VJIPUDFJGHNJSN-RYUDHWBXSA-N 362.430 0.839 0 40 FCAB O=C(Cn1ncccc1=O)NCCOc1ccc(-c2ccccn2)nn1 70637163 XUBOUAOTOPHNAL-UHFFFAOYSA-N 352.354 0.291 0 40 FCAB Cc1cc2ccccc2n2c(=O)n(CC(=O)N3CCC(C(N)=O)CC3)nc12 72347071 QMAYOVBIPHGWEL-UHFFFAOYSA-N 367.409 0.682 0 40 FCAB C[C@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CCN1 88059446 MNWBLDYQKUDVDN-VIFPVBQESA-N 352.865 0.726 0 40 FCAB COc1ccc(CN2CCn3c(CNS(C)(=O)=O)nnc3C2)cc1 96058918 SDLWBDWRUHAQPC-UHFFFAOYSA-N 351.432 0.352 0 40 FCAB C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)C1CCOCC1 96062034 NBHFMINHJTYWGH-OAHLLOKOSA-N 361.490 0.960 0 40 FCAB CN(C)CCOCc1nnn2c1CN(C(=O)C1CCOCC1)CCC2 96084350 JLLLRHZWHYIIBT-UHFFFAOYSA-N 351.451 0.515 0 40 FCAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N=c3[nH]cc[nH]3)C2=O)cc1 96223567 KEPNMAPYGZWESG-AWEZNQCLSA-N 371.397 0.722 0 40 FCAB COc1ccc(CCNC(=O)Cc2nc3[nH]c(C)cc(=O)n3n2)cc1OC 101445711 VKEJYQLBIVPACV-UHFFFAOYSA-N 371.397 0.645 0 40 FCAB COc1cc(=O)n(C)cc1C(=O)N1CCc2c(cnc3cc(C)nn23)C1 208037709 DEQBHBHSKDUQEG-UHFFFAOYSA-N 353.382 0.944 0 40 FCAB CNC(=O)[C@H]1CN(S(=O)(=O)c2cccc(OC)c2)Cc2ccnn21 247971182 UPBXCHVBPLRYIX-CQSZACIVSA-N 350.400 0.383 0 40 FCAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3cnc(C)nc3C)C2)ncn1 257340428 ZGBAQPXTHVBCPK-SFHVURJKSA-N 356.430 0.953 0 40 FCAB CN1CCC[C@H](NC(=O)NCC(C)(C)[C@H]2COCC23OCCO3)C1=O 528014355 ZNJJJRBMAQBHOF-QWHCGFSZSA-N 355.435 0.322 0 40 FCAB CCCS(=O)(=O)N1Cc2cncn2[C@H](C(=O)NCc2ccco2)C1 585096116 SIFZKVAKRIHUCQ-AWEZNQCLSA-N 352.416 0.889 0 40 FCAB O=C(O)[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCN2)C[C@H]1c1ccccc1 1261579395 KRKOXDWJRLPHMD-ARFHVFGLSA-N 359.426 0.572 0 40 FCAB CCn1cc(C(=O)Nc2cnn(C)c2C(=O)NCc2cnn(C)c2)cn1 2804662 ZXABBJOLQOZNRN-UHFFFAOYSA-N 356.390 0.552 0 40 FCAB CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1CC(=O)OC 5354544 MPJBQTDFNVVHNB-UHFFFAOYSA-N 364.383 0.117 0 40 FCAB COc1cc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)ccc1NC(C)=O 13040043 MVSWWSJVYJUASX-NSHDSACASA-N 355.416 0.540 0 40 FCAB O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc2c(c1)OCCO2 13957688 NQZQAOUGQQPRLL-AWEZNQCLSA-N 374.393 0.929 0 40 FCAB CCCn1c(N)c(C(=O)CN2CCC[C@@H](C(F)(F)F)C2)c(=O)[nH]c1=O 14093265 KIAYHDQTOMCKAX-SECBINFHSA-N 362.352 0.986 0 40 FCAB CC(C)(C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566401 DFHPXOXRDNBREJ-GNEJLTCGSA-N 370.409 0.081 0 40 FCAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H](C)Cn1cccn1 24804534 IFGFWYZAJABTQK-CYBMUJFWSA-N 374.445 0.249 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc2ccc(=O)oc2c1 25020388 ATABRKKRKMOJON-ZDUSSCGKSA-N 374.349 0.062 0 40 FCAB COc1ccc(S(=O)(=O)NCC(=O)NCc2ccco2)cc1OC 31071551 ZZVUVCAIVWENKN-UHFFFAOYSA-N 354.384 0.892 0 40 FCAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)NC1CC1 32074185 UNXOGMCAVKASLM-ZDUSSCGKSA-N 371.846 0.498 0 40 FCAB CS(=O)(=O)NCCCNC(=O)Nc1cccc(N2CCNC2=O)c1 47892843 PDFDDIMYRQLHIY-UHFFFAOYSA-N 355.420 0.277 0 40 FCAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@H](C(N)=O)C1)C2=O 52894233 NXTIMQCMYDYLEN-JKGQDXBKSA-N 350.419 0.211 0 40 FCAB NS(=O)(=O)N1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 58161929 AVAPLLMTBUJPKT-UHFFFAOYSA-N 353.366 0.949 0 40 FCAB CS(=O)(=O)N1CCC(CNC(=O)NC[C@@H](O)c2cccc(F)c2)CC1 58210742 KMRHYFWUFMBCQO-OAHLLOKOSA-N 373.450 0.830 0 40 FCAB CCNC(=O)[C@@H](C)NC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 69484710 WAZOGGLTVUHLHM-BXUZGUMPSA-N 353.444 0.014 0 40 FCAB COC(=O)[C@@H]1COCCN1CC(=O)NCCOc1ccc(Cl)cc1 72309453 AVGVKXHBYVTURC-AWEZNQCLSA-N 356.806 0.709 0 40 FCAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NCc2ccco2)N(C)S(=O)(=O)N1 72335153 ROWKWYLWSISUJF-ZIAGYGMSSA-N 367.431 0.218 0 40 FCAB COc1ccc(S(=O)(=O)CCNC(=O)c2ccc3nnnn3c2)cc1 79476364 QIPCNDITAVNZPK-UHFFFAOYSA-N 361.383 0.337 0 40 FCAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1 101153891 JNDOIVKCAMWRMW-LDDOYCOJSA-N 366.366 0.787 0 40 FCAB COC(=O)C[C@@H]1CCCCN1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102780990 JKRQPJJVYPCBRK-UCQBOQSVSA-N 360.410 0.738 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(c1nnc(C)s1)CC2 248047109 VXVRRRIRCYLEAZ-LBPRGKRZSA-N 360.505 0.971 0 40 FCAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(S(=O)(=O)N(C)C)C2 257215692 CRFXEDRUTKXUCS-ZACQAIPSSA-N 366.487 0.334 0 40 FCAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)CCCn1cccn1 257254230 KCGZIPMPMVSVCR-SFHVURJKSA-N 358.446 0.943 0 40 FCAB Cc1cc2nc(C3CCN(C(=O)[C@H]4CC(=O)N(C)C4)CC3)cc(O)n2n1 257322505 WGFPJGKBGBUVLY-ZDUSSCGKSA-N 357.414 0.928 0 40 FCAB CN(C)c1nccc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 301356186 MKTFSUMYDZTGLA-UHFFFAOYSA-N 372.454 0.814 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NC)c2)CC1 408601030 DRYXMCXGINCFDO-UHFFFAOYSA-N 369.443 0.817 0 40 FCAB CCC(CC)C(=O)N[C@H]1CO[C@@H](CN2CCCN(C(C)=O)CC2)[C@@H]1O 514288344 AEHJKTXHDXHRFM-YESZJQIVSA-N 355.479 0.221 0 40 FCAB biogenic,in-vitro NC(=O)CSc1nnc(COc2ccc(=O)n(-c3ccccc3)n2)o1 524734852 FBHBLWYPWNSEFU-UHFFFAOYSA-N 359.367 0.772 0 40 FCAB COc1ccc(NC(=O)N[C@H]2CCCN(C)C2=O)c(S(C)(=O)=O)c1 529116284 LZYKCOQRIRERHU-LBPRGKRZSA-N 355.416 0.841 0 40 FCAB C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)C[C@@H]1C(=O)O 566007692 NXXXNDCMPZJMOD-AGIUHOORSA-N 361.464 0.553 0 40 FCAB C=CC(=O)NCCC(=O)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1520992243 JJAMPCRSPJNUHF-ZWNOBZJWSA-N 368.377 0.647 0 40 FCAB COc1cc(OC)nc(N2CCOC[C@]3(CC(=O)N(C(C)C)C3)C2)n1 1565541808 LHVYZBOIRDRAMK-QGZVFWFLSA-N 350.419 0.958 0 40 FCAB Cc1ccc(C(=O)N2Cc3ncnn3C[C@H](C(=O)N3CCN(C)CC3)C2)o1 1565550095 PDACESCLYYNDIP-CQSZACIVSA-N 372.429 0.226 0 40 FCAB O=C(CN1CCO[C@@H](C(=O)N2CCOCC2)C1)Nc1ccc(F)cc1 1888928813 CRELKMNGQQSNFY-OAHLLOKOSA-N 351.378 0.324 0 40 FCAB Nc1cc(S(=O)(=O)O)ccc1NNc1ccc(S(=O)(=O)O)cc1N 4235308 RUYFAOCCPNIMPZ-UHFFFAOYSA-N 374.400 0.783 0 40 FCAB biogenic CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 7966930 BKIODELLSCVKFS-UHFFFAOYSA-N 369.443 0.851 0 40 FCAB C[C@H](Sc1nc(Cl)nc2[nH]cnc12)C(=O)NCCN1CCOCC1 9420815 JQJAWDCSVMCMJR-VIFPVBQESA-N 370.866 0.935 0 40 FCAB COCCn1c(SCc2nc(N)nc(N)n2)nnc1-c1ccncc1 14115295 OYSAVASZVHQSCD-UHFFFAOYSA-N 359.419 0.628 0 40 FCAB Cc1cccc(NC(=O)CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c1C 14394966 IETDWGYDIQKCRR-UHFFFAOYSA-N 358.398 0.676 0 40 FCAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 20245714 KLOISJUBTJXEDU-UHFFFAOYSA-N 368.459 0.267 0 40 FCAB COc1cc(CNc2nnnn2C)cc(Br)c1OCC(N)=O 22112126 IFGLWCQZTOBEID-UHFFFAOYSA-N 371.195 0.457 0 40 FCAB CN(C)C(=O)CN1CCCN([C@@H](C(=O)NC(N)=O)c2ccccc2)CC1 24677564 FRYODIYCVVVBET-MRXNPFEDSA-N 361.446 0.019 0 40 FCAB COc1c2c(c(NC(=O)CN3CCCC3=O)c3c1OCO3)CCN(C)C2 32124053 BQJBZHQBOWCZCT-UHFFFAOYSA-N 361.398 0.973 0 40 FCAB biogenic O=C(NCCn1nc(-c2ccco2)ccc1=O)C(=O)Nc1cccnc1 38719921 SUKCUUFMTDNIJH-UHFFFAOYSA-N 353.338 0.653 0 40 FCAB COc1cccc2c1OCC(C(=O)N1CCN(C(C)(C)C(N)=O)CC1)=C2 72306496 CWIMEKHJUPCXDK-UHFFFAOYSA-N 359.426 0.879 0 40 FCAB C[C@H](C(=O)O)N1CC[C@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 72342645 BIEUAGHTOHYQOQ-MEBBXXQBSA-N 353.400 0.572 0 40 FCAB Cc1cc(S(=O)(=O)N2CC[C@@]3(CC(=O)NC3=O)C2)c2ncccc2c1 82107003 BOTHIOLAWSDEEO-QGZVFWFLSA-N 359.407 0.971 0 40 FCAB C[C@@H](CN1CCOCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 91513893 MTQCRFGJUSQQPF-HNNXBMFYSA-N 354.476 0.109 0 40 FCAB CC(C)NC(=O)CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 95999867 JIULTSODFBXVSO-OAHLLOKOSA-N 367.471 0.735 0 40 FCAB O=C(NCCCOCCO)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 96003443 ZJDAZURSXRUYBB-HNNXBMFYSA-N 370.471 0.603 0 40 FCAB COc1ccc(C(=O)N2CCC3(CC2)O[C@@H](C(N)=O)Cn2ccnc23)cc1 96144773 CNCBCUZATLLGCE-OAHLLOKOSA-N 370.409 0.907 0 40 FCAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCc3c[nH]cn3)C2=O)cc1 96221760 NUDUEHSYBHNDJT-HNNXBMFYSA-N 371.397 0.588 0 40 FCAB biogenic CS(=O)(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96261849 YAANJTMPJPLSPL-HNNXBMFYSA-N 356.469 0.962 0 40 FCAB CN1CC[C@H](COCc2cccnc2)CC12CN(S(=O)(=O)N(C)C)C2 247922707 CUGWDJFJBOZLGL-HNNXBMFYSA-N 368.503 0.801 0 40 FCAB C[C@H](Oc1ccc2c(c1)CCCNC2=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 270893663 HWOSPUVTWKMJDQ-WCQYABFASA-N 366.439 0.433 0 40 FCAB Cc1ccccc1CC(=O)N1CC[C@@]2(Cc3nn(C)c(=O)c(=O)n3C2)C1 306142356 WWUDGLURJFASCE-LJQANCHMSA-N 354.410 0.268 0 40 FCAB C[C@]1(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)CCS(=O)(=O)C1 387774688 ZXGSBIGVIMGETP-LBPRGKRZSA-N 367.832 0.894 0 40 FCAB O=C(CCNC(=O)[C@H]1CCCN1)NCc1cccc(Cn2ccnc2)c1 564909080 NPWTWKKBRUETIV-QGZVFWFLSA-N 355.442 0.806 0 40 FCAB Cc1cc(C)c(S(=O)(=O)NCCN[C@@H]2CCS(=O)(=O)C2)cc1C 575422018 LSXJPDIBCKHSOG-CQSZACIVSA-N 360.501 0.667 0 40 FCAB CCc1[nH]nc(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2cnn(C)c2)c1C 585110751 VAAPGHYSFPHDPJ-CABCVRRESA-N 360.418 0.941 0 40 FCAB COc1ccc(S(=O)(=O)N2CC(OCC(F)(F)F)C2)cc1C(N)=O 585365506 QTKYRMKYMKWHDP-UHFFFAOYSA-N 368.333 0.746 0 40 FCAB CC(C)CN1CCO[C@H](Cn2cc(CCN3CCC(N)CC3)nn2)C1 630588250 BIGKZTQYNOGGNI-SFHVURJKSA-N 350.511 0.601 0 40 FCAB COc1ccc(CNC(=O)C[C@H]2CS(=O)(=O)CCN2C)c(OC)c1 644294542 KSRFUUFXYRKQLE-ZDUSSCGKSA-N 356.444 0.439 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(CC(=O)NC2CCC(C)CC2)CCO1 648048941 PBYSIXKPKHVPSY-AVVWSFFYSA-N 369.462 0.315 0 40 FCAB O=S1(=O)N=C(N2CCN(c3ncnc4[nH]cnc34)CC2)c2ccccc21 917084179 WKYGJVZEAIEOFW-UHFFFAOYSA-N 369.410 0.624 0 40 FCAB O=C(N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cnc3ccccc32)[C@H]1O)N1CCOCC1 952844828 MEFBIZFKLJGQPH-OVYGPGRDSA-N 374.397 0.104 0 40 FCAB biogenic,in-vitro c1cc(N2CCN(c3ncnc4c3CCC4)CC2)nc(N2CCOCC2)n1 1889104406 ODXJVCYFJLAEFH-UHFFFAOYSA-N 367.457 0.919 0 40 FCAB COc1cc(CN2CCO[C@]3(COCC(=O)N(C)C3)C2)cc(OC)c1 2037984128 RGYMUGDRKKNTNR-SFHVURJKSA-N 350.415 0.763 0 40 FCAB CC(C)CNC(=O)COC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 3380705 CRZSYORMCICSFW-NSHDSACASA-N 367.427 0.429 0 40 FCAB Cc1cc(-c2nnc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)o2)c(C)o1 7064876 SBZSMZQWGBVPLR-UHFFFAOYSA-N 356.342 0.742 0 40 FCAB O=C(CSc1nc[nH]n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8579895 UEUIUJADGMSKLM-UHFFFAOYSA-N 367.456 0.430 0 40 FCAB C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(N)=O 8708224 RWTIJOLEYDRLMG-NSHDSACASA-N 369.443 0.568 0 40 FCAB CC1=NCCN1S(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 19796393 XXVJPZVLKVLLDS-JTQLQIEISA-N 371.440 0.422 0 40 FCAB Cn1c(=O)c2c(ncn2CCOC(=O)c2cc(Cl)c[nH]2)n(C)c1=O 25199165 AQGZBXFPWVAYSE-UHFFFAOYSA-N 351.750 0.272 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1C 32652511 QSSJVZFCOBNBFP-HNNXBMFYSA-N 372.512 0.797 0 40 FCAB CC(C)[C@@H]1NC(=O)N(CC(=O)N(C)C[C@@H]2COc3ccccc3O2)C1=O 40067365 ARSKHUDUTDRNML-WBMJQRKESA-N 361.398 0.861 0 40 FCAB CS(=O)(=O)NCCC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 48286991 VSTPLQSIXNZSMB-AWEZNQCLSA-N 353.444 0.406 0 40 FCAB CCOC(=O)[C@H]1CC[C@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 95966978 MUMFLLBPHGHXDS-RYUDHWBXSA-N 353.419 0.945 0 40 FCAB COc1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC1 225963145 RWKWBRFKYFRMGY-UHFFFAOYSA-N 370.475 0.082 0 40 FCAB COc1cccc([C@H]2C[C@@](O)(CNC(=O)CN(C)C)[C@H](O)[C@@H](C)O2)c1 257205837 BAUQQGDPSQWGAK-DGCUDZEOSA-N 352.431 0.315 0 40 FCAB O=C(NC[C@]1(O)CN(CCCc2ccccc2)C[C@H]1O)c1cnccn1 257206377 BDCNWNFYSBKAPD-MJGOQNOKSA-N 356.426 0.247 0 40 FCAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(C(=O)c3ccnc(F)c3)[C@@H]2C1 585108267 LDEIMDKUAWWMQW-CFVMTHIKSA-N 365.405 0.945 0 40 FCAB CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(C(=O)NC[C@H]2CCCCO2)C1 681931877 HTQBGDRPGQTGMF-UONOGXRCSA-N 364.450 0.549 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCO1 681940725 FHDSBEXICXLTFA-CYBMUJFWSA-N 364.354 0.189 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1nc[nH]n1 685938933 QFOAFDQJZTYZQN-UHFFFAOYSA-N 367.431 0.836 0 40 FCAB Cn1cnc(C(=O)N2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)n1 1565554844 HBXSRPGOOZDQNS-TZMCWYRMSA-N 359.386 0.411 0 40 FCAB COCCn1c2c(ccc1=O)C[C@H](NC(=O)CCc1cncnc1)CC2 1614946503 HNGFTSGNWHGFIE-MRXNPFEDSA-N 356.426 0.891 0 40 FCAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 3479775 TVCLQCBDYXUXNJ-VHSXEESVSA-N 361.354 0.449 0 40 FCAB O=C(COc1cccc(-n2cnnn2)c1)NC[C@H]1COc2ccccc2O1 7089744 YVNOHSRNKCTZTL-HNNXBMFYSA-N 367.365 0.997 0 40 FCAB Cc1ccc(CNC(=O)CN2NS(=O)(=O)c3ccccc3C2=O)cc1 7988413 VFLSYPPXWQJHGF-UHFFFAOYSA-N 359.407 0.961 0 40 FCAB COCCn1c2c(=O)nc(O)n(C)c2n2c(-c3ccc(OC)cc3)nnc12 9827685 UOUPAMJOKSRTSN-UHFFFAOYSA-N 370.369 0.805 0 40 FCAB Cn1c(SCCCO)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 10386354 SJJPCXUXOOOSNO-UHFFFAOYSA-N 360.439 0.957 0 40 FCAB CC[C@]1(c2ccc(NC(=O)C(=O)NCCN(C)C)cc2)CCC(=O)NC1=O 13683943 PIMAKBJSQBPQOG-LJQANCHMSA-N 374.441 0.387 0 40 FCAB NC(=O)C1CCN(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)CC1 14128568 UPMSZPRCHIFWPX-IBGZPJMESA-N 356.426 0.925 0 40 FCAB O=C(CN1CCOCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 22424680 ATEFBXJHSFRQQC-UHFFFAOYSA-N 350.394 0.834 0 40 FCAB CCN1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 22517431 XTEPDKRQWWRDLA-OAHLLOKOSA-N 353.444 0.378 0 40 FCAB Cn1c(CN2CCCN(Cc3ccc(F)cc3)CC2)cc(=O)n(C)c1=O 22837785 UCUPKUALIGYHQX-UHFFFAOYSA-N 360.433 0.931 0 40 FCAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(CC(=O)Nc2ccccc2)CC1 24249943 HYYFTHLHMFNSDU-AWEZNQCLSA-N 373.457 0.619 0 40 FCAB CC[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N1CCc2ccccc2C1 32446931 QBINYTQWMMEXEE-INIZCTEOSA-N 356.426 0.490 0 40 FCAB COC(=O)[C@@H](C)N(C(=O)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 32641293 RRILABOJLBEAGA-OCCSQVGLSA-N 369.439 0.815 0 40 FCAB COC[C@@H](C)NC(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 32738685 TYXARVJCXSHJKP-XWCIJXRUSA-N 369.418 0.181 0 40 FCAB O=C(CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)N1CCCC1 36447073 XNSDJVQKMMLGCT-UHFFFAOYSA-N 373.425 0.894 0 40 FCAB CCOC(=O)C(Br)(C(=O)OCC)[C@H]1C=CS(=O)(=O)C1 40166238 LIMORQGRWKBVND-QMMMGPOBSA-N 355.206 0.805 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1 72377834 PCKLNKYITJDPDM-LBPRGKRZSA-N 363.447 0.996 0 40 FCAB COc1ccccc1CNC(=O)Cn1ccc2c(nnc3ccnn32)c1=O 79478591 LYYNYZIHMLABIJ-UHFFFAOYSA-N 364.365 0.764 0 40 FCAB COC(=O)c1c(F)ccc(S(=O)(=O)NCCCCC(N)=O)c1F 95461670 MAIUECKNLLRTKT-UHFFFAOYSA-N 350.343 0.685 0 40 FCAB COCCN1CC2(CCN(c3ncc(F)cn3)CC2)[C@@H](COC)C1=O 96206442 MVRVHGUMHIEJFN-AWEZNQCLSA-N 352.410 0.954 0 40 FCAB COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCCCC3)[C@@H](O)[C@H]2O1 225515631 AJINBYNQJFUZDA-GRLWTPEZSA-N 356.463 0.347 0 40 FCAB biogenic,in-vitro CC(=O)NCc1cnc(CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 257305643 SQWLJLOBLSEHAJ-GOSISDBHSA-N 359.474 0.988 0 40 FCAB COCCN1C(=O)CO[C@H]2CN(C(=O)c3ccc4nc(C)[nH]c4c3)C[C@@H]21 257313366 USCPLGOBIPLVMM-HOTGVXAUSA-N 358.398 0.570 0 40 FCAB O=C(c1cccc(-n2cnnc2)c1)N1CC[C@](O)(CN2CCOCC2)C1 257321561 WCEJEFKBNXIQHQ-SFHVURJKSA-N 357.414 0.177 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1CCCO1 408556440 COSZRTCFGMGXEL-QWHCGFSZSA-N 356.444 0.966 0 40 FCAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCO)cc1Cl 408590378 GMOZEUBVOIIWCI-VIFPVBQESA-N 350.824 0.514 0 40 FCAB Cn1cc(O[C@@H]2CN(C(=O)c3ccccc3-n3cccn3)C[C@H]2O)cn1 628258862 WKAUAAWHFVQYEK-IAGOWNOFSA-N 353.382 0.870 0 40 FCAB O=C(CCc1ccc[nH]1)N1CCOC[C@]2(C[C@@H](Cn3cnnc3)CO2)C1 1565547108 KPKQDVKYQRMAIV-YJBOKZPZSA-N 359.430 0.873 0 40 FCAB CN([C@@H]1CCCN(c2ncnc3c2ncn3C)C1)S(=O)(=O)C1CC1 1888856843 UPEOXDOOXYLQGU-LLVKDONJSA-N 350.448 0.756 0 40 FCAB Cc1ccn(-c2ccc(N3CCN(c4ncnc5n[nH]cc45)CC3)nn2)n1 1889224930 OOSPJYODLSQEQP-UHFFFAOYSA-N 362.401 0.964 0 40 FCAB CCS(=O)(=O)N1C[C@H]2C[C@@H]3CN(C(=O)C4CC(F)(F)C4)C[C@@]2(C1)O3 2055844890 LPMUGSJYWBSXSS-BZPMIXESSA-N 364.414 0.683 0 40 FCAB CN(C(=O)COc1ccc2ccc(=O)oc2c1)[C@@H]1CCS(=O)(=O)C1 5347406 MCYHASMLIUNHQQ-GFCCVEGCSA-N 351.380 0.817 0 40 FCAB biogenic CC1(C)Cc2c(sc(NC(=O)C(=O)N3CCOCC3)c2C(N)=O)CO1 6669766 GPKAUSTXVLQDTI-UHFFFAOYSA-N 367.427 0.496 0 40 FCAB CCN(C(=O)COC(=O)c1n[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 8685694 NEQFWZCAWFWQDT-LLVKDONJSA-N 365.411 0.755 0 40 FCAB O=S(=O)(c1cccc(F)c1)N1CCN(c2ccc3nnnn3n2)CC1 8851452 LJDWNBPFUZPSQV-UHFFFAOYSA-N 363.378 0.169 0 40 FCAB COCCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O 14139322 IZCFEIGFGKGTNW-UHFFFAOYSA-N 369.761 0.724 0 40 FCAB Cc1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)N3CCCC3)C1)OCC2 19287420 QQJDSZGBZZTNRO-MRXNPFEDSA-N 352.460 0.989 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 20566657 MDOXVXRRTDHMSV-BNVDUDBASA-N 357.410 0.690 0 40 FCAB Cc1cc(NCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1-n1cnnn1 23057936 ORSALNAQHWURCQ-CYBMUJFWSA-N 364.431 0.028 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)OCC(=O)NCCc1ccccc1 32871454 LMTSTAGPVIKIIN-UHFFFAOYSA-N 359.382 0.206 0 40 FCAB CCN(CC(=O)N[C@@H](C)COC)S(=O)(=O)c1cc(F)ccc1OC 39986388 GXCIARQUBKNBPE-NSHDSACASA-N 362.423 0.996 0 40 FCAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCNc1cnccn1 48310882 SUFDAVHJKBQLGJ-UHFFFAOYSA-N 374.792 0.956 0 40 FCAB C[C@H]1CNCCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 54371535 KQQNYDUEERLWFF-VIFPVBQESA-N 352.865 0.726 0 40 FCAB CCCCNC(=O)[C@@H]1C[C@H](c2cn(CC)nc2C)NS(=O)(=O)N1C 72335021 KIUKFGHKNBBYAF-KGLIPLIRSA-N 357.480 0.707 0 40 FCAB CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cn1ncc2ccccc21 79094029 GGNWFNCDQSEXGP-OCCSQVGLSA-N 350.444 0.870 0 40 FCAB O=S(=O)(N1CCN(c2ccccn2)CC1)N1CCC2(CC1)OCCO2 89883833 XCWSHFUQLPIXFD-UHFFFAOYSA-N 368.459 0.287 0 40 FCAB CN(C)c1nc(N2CCCC2)nc2c1CCN(C(=O)c1nc[nH]n1)CC2 96083810 JFIKIGUDEWAXTI-UHFFFAOYSA-N 356.434 0.502 0 40 FCAB CS(=O)(=O)NC[C@]12COC[C@H]1CN(C(=O)Cc1ccccc1F)C2 96108358 NJJBGXFRURGFII-CJNGLKHVSA-N 356.419 0.392 0 40 FCAB CCN1CCNC(=O)C12CCN(S(=O)(=O)c1ccc(OC)cc1)CC2 96230165 GCSDSCDEVFMFPS-UHFFFAOYSA-N 367.471 0.670 0 40 FCAB Cn1cc(CN2CCOC[C@]3(C2)CN(c2cccnc2)C(=O)CO3)cn1 96240156 SDEHZQJERPLDKQ-SFHVURJKSA-N 357.414 0.450 0 40 FCAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CC(=O)NC1CC1 97365722 XQNWWFXSQCFZMD-HNNXBMFYSA-N 360.393 0.641 0 40 FCAB CO[C@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@@H](O)[C@@H]1CC=CC(=O)O1 105154076 STNNWPKHRBGYMO-PVFDNGFESA-N 356.371 0.674 0 40 FCAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCN(C)CC1 224878942 MVOFBLALSWRMBY-UHFFFAOYSA-N 369.487 0.652 0 40 FCAB CC(=O)N[C@@H]1CO[C@@H]2CCN(C(=O)c3cscn3)C[C@@H]2C[C@@]1(C)O 257231661 GHSGBWLNAYAAAX-ADSMDIBLSA-N 353.444 0.650 0 40 FCAB O=C1NCCN1c1ccc(Cl)c(NS(=O)(=O)N2CCOCC2)c1 268798187 XKZHMGIUAXWGFC-UHFFFAOYSA-N 360.823 0.859 0 40 FCAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(c1ccc3nncn3n1)C2 306126861 FHFKZFWFEIEEDH-GFCCVEGCSA-N 366.447 0.049 0 40 FCAB CN1CCN(C(=O)CC2CCN(C(=O)c3ccc4nncn4c3)CC2)CC1 329223167 XOJKYPQOVRKZFT-UHFFFAOYSA-N 370.457 0.746 0 40 FCAB COCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 409387805 BOPUXZVAHYMGTD-LLVKDONJSA-N 360.432 0.523 0 40 FCAB COc1ccc(C(=O)N2CC[C@@H](Nc3ccc4nc(C)cn4n3)C2)nn1 571351257 NLJSEBRSZRQRPA-GFCCVEGCSA-N 353.386 1.163 0 40 FCAB O=C1CC(c2ccc(NC(=O)[C@H]3CCc4nnnn4CC3)cc2)CC(=O)N1 573974788 DHNBUYLJVIDNOL-LBPRGKRZSA-N 368.397 0.785 0 40 FCAB COCc1cn([C@@H]2CCN(C(=O)Cn3cnc4ccccc4c3=O)C2)nn1 585149602 BBFMMCJSDCDORX-CQSZACIVSA-N 368.397 0.608 0 40 FCAB COC(=O)[C@H]1C[C@@H](O)CN(C(=O)NCc2ccccc2Cn2ccnc2)C1 591903975 WBHPOCMRBIKGAC-DLBZAZTESA-N 372.425 0.997 0 40 FCAB CN(C)Cc1cc(CNC(=O)CN2CCCC[C@H](O)C2=O)ccc1F 644361958 HHHRBMFROAWFPR-INIZCTEOSA-N 351.422 0.877 0 40 FCAB Cc1nnc2n1C[C@H](C(=O)NCCOc1ccc(Cl)cn1)N(C)C2 644388119 OZKDIIZUOAIODE-GFCCVEGCSA-N 350.810 0.644 0 40 FCAB Cc1ccc(OCC2CCN(S(=O)(=O)c3nccn3C)CC2)nn1 1775966044 QCKVLGMRVLGFQV-UHFFFAOYSA-N 351.432 0.998 0 40 FCAB COc1ccc(C(=O)N2CCCN(c3ccc4nnc(C)n4n3)CC2)nn1 1775968084 OJPJUHTZWHYBEU-UHFFFAOYSA-N 368.401 0.584 0 40 FCAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(S(C)(=O)=O)C1 2055747748 SGPURULEQGMAOM-OAHLLOKOSA-N 359.423 0.404 0 40 FCAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)c3cccn(C)c3=O)C[C@@H]21 2055750659 NQDJCACZQDGTDY-IRXDYDNUSA-N 372.425 0.716 0 40 FCAB COC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@]12C(=O)N(C)c1ccccc12 989177 IHCPYUCXUNATJT-GOSISDBHSA-N 358.350 0.721 0 40 FCAB CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 3406930 CEEHWCDLBMPDQN-HNNXBMFYSA-N 366.439 0.554 0 40 FCAB CCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 3908775 OCNJUYFAODPYGS-CQSZACIVSA-N 369.443 0.066 0 40 FCAB CN(C)CCNC(=S)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 7620567 SPRYPIXLCIGFQB-UHFFFAOYSA-N 370.544 0.570 0 40 FCAB CCOC(=O)CCCNC(=O)COC(=O)c1ccccc1NCCO 9162647 MKOIZONMPZJYAN-UHFFFAOYSA-N 352.387 0.707 0 40 FCAB Cc1cc(=O)n2nc(CC(=O)N3CCN(c4ccc(F)cc4)CC3)nc2[nH]1 9303561 KLZJEMJIBBISJD-UHFFFAOYSA-N 370.388 0.756 0 40 FCAB CN1C(=O)c2cccc3c(S(=O)(=O)N(CCO)CCO)ccc1c23 11691648 LLEQXLNIKDLBQX-UHFFFAOYSA-N 350.396 0.405 0 40 FCAB COC(=O)[C@]1(CO)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19586857 USVWRFCLHXFEDW-CENBSLRLSA-N 352.774 0.119 0 40 FCAB CN(Cc1cccc(F)c1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 23598482 NEKYKFQMHXWGNY-UHFFFAOYSA-N 359.361 0.231 0 40 FCAB CCCn1nnnc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 31594903 QXOZOCXJWRJGFR-UHFFFAOYSA-N 364.475 0.731 0 40 FCAB CCCn1nnnc1CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 32775005 WYMIJECGAKNCAU-INIZCTEOSA-N 372.429 0.567 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1NC1CC1 36589924 WZWHLSVIRMIXSJ-SWLSCSKDSA-N 359.469 0.695 0 40 FCAB COc1cc(NC(=O)CN2C(=O)NC3(CCOCC3)C2=O)cc(OC)c1 57947546 VCVJGGOHUGWOPI-UHFFFAOYSA-N 363.370 0.743 0 40 FCAB CCc1[nH]c(C(=O)N[C@H](C)C(=O)N2CCOCC2)c(C)c1C(=O)OC 58201527 INXXRJJTTIAFMG-LLVKDONJSA-N 351.403 0.649 0 40 FCAB COC(=O)c1ccccc1S(=O)(=O)NC(=O)COCC(F)(F)F 69525766 ZECKZWZWMZGHTA-UHFFFAOYSA-N 355.290 0.857 0 40 FCAB COc1ccccc1NC(=O)Cn1c(=O)n(CCO)c(=O)c2ccccc21 71279582 ILGOMTKQIZEXNB-UHFFFAOYSA-N 369.377 0.803 0 40 FCAB Cc1cc(NCCNC(=O)c2c(C)nn3cccnc23)n2ncnc2n1 72311419 FUYQCGVKVGORBO-UHFFFAOYSA-N 351.374 0.626 0 40 FCAB CCOC(=O)[C@]12CCCN(C(=O)c3cnccn3)C[C@H]1CN(C(C)=O)C2 96056014 VTTFPGFNIPISBJ-KSSFIOAISA-N 360.414 0.740 0 40 FCAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 96120116 KWQBOJABSBWZJR-ZDUSSCGKSA-N 374.484 0.762 0 40 FCAB CN1CCN(C(=O)[C@H]2Cc3c(ncn3C)N(Cc3ccccc3)C2=O)CC1 96147061 NNTWCQGRFYBXOA-MRXNPFEDSA-N 367.453 0.900 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)Cc2cncn21 247541354 SKADKLHNOSRUEB-GFCCVEGCSA-N 370.381 0.908 0 40 FCAB CN[C@@H]1CO[C@@H]2CCN(C(=O)Cc3c(C)noc3C)C[C@@H]2C[C@@]1(C)O 257253244 JYCRWKDKVYDBBY-AAJLLMFJSA-N 351.447 0.810 0 40 FCAB C[C@@H]1Cc2cc(S(=O)(=O)NCCN3C[C@@H](C(=O)O)CC3=O)ccc2O1 274953779 IFPOOZLFPXWSNO-PWSUYJOCSA-N 368.411 0.221 0 40 FCAB Cn1ccc(C(=O)N2CC[C@@]3(CCn4ncnc4[C@H]3NC(=O)C3CC3)C2)n1 306144333 ZCTWHPBIGQIGRO-RDTXWAMCSA-N 369.429 0.515 0 40 FCAB COCCc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccn2)n1 604382133 GUPBJMZAHPVHQO-NCXUSEDFSA-N 372.469 0.751 0 40 FCAB biogenic,in-vitro O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccn(CCn2cccn2)n1 644069145 DFDQXBCXBOOZOL-UXLLHSPISA-N 358.446 0.497 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)CCO1 648439331 QHSGMVSEJFETMT-AWEZNQCLSA-N 373.409 0.952 0 40 FCAB Cc1c(S(=O)(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2C)cnn1C 657200696 NUCFGLNKWMZBQZ-SWLSCSKDSA-N 353.448 0.908 0 40 FCAB CCN1CC[C@@H](NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1=O 670191174 BOMLNSCXDACODX-OAHLLOKOSA-N 362.405 0.914 0 40 FCAB COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccc3c(c2)OCO3)nn1 1549159248 SIJCNBVIIDTDAV-IAOVAPTHSA-N 362.386 0.071 0 40 FCAB CCOc1ccc(C(=O)N2CCCN(c3ccc4nncn4n3)CC2)nn1 1565522946 CJJSNJPFIHIHLO-UHFFFAOYSA-N 368.401 0.666 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CC1)COCCN(c1ncccn1)C2 1565547014 IZHWDOQQDPGILA-ZSHCYNCHSA-N 358.442 0.814 0 40 FCAB CN1CCN(c2ncc3c(n2)[C@H]2CC[C@H]3N(C(=O)c3ncn(C)n3)C2)CC1 1565549335 PNGLGLKZYDPVSM-GXTWGEPZSA-N 368.445 0.431 0 40 FCAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)Cn4ccccc4=O)C3)C2)cn1 1565550370 ANBRKNUIUJATKF-UHFFFAOYSA-N 369.425 0.393 0 40 FCAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)c1csnn1)C2 1614932982 CRHBCSIAWCUJDO-MRXNPFEDSA-N 358.427 0.496 0 40 FCAB O=C(NC1CCC1)c1nnc2n1C[C@]1(CCN(C(=O)CCF)C1)OC2 1614940167 GAXOBSHZDLKYJF-MRXNPFEDSA-N 351.382 0.421 0 40 FCAB CN(Cc1noc(C2CC2)n1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1nccn1C 1615589796 KTMWHBKXCGJNOM-FZMZJTMJSA-N 358.402 0.859 0 40 FCAB CCN1CCN(S(=O)(=O)c2ccc(N(C)C)nc2)C[C@]12CCOC2 1615592351 SQNUKVYQYZYYMD-INIZCTEOSA-N 354.476 0.633 0 40 FCAB CCc1nc(N2C[C@H]3CN(C(=O)c4cnn(C)c4)C[C@H]3C2)nc(O)c1F 1888864015 UGKKYVMWHOXPGV-TXEJJXNPSA-N 360.393 0.826 0 40 FCAB NC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1 3427959 QIWCLJZWZFJCGO-UHFFFAOYSA-N 361.398 0.964 0 40 FCAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)CO)CC2=O)cc1 4085155 ZIMMQRUATZQRBV-AVGNSLFASA-N 363.414 0.050 0 40 FCAB biogenic Cc1cc(NC(=O)COC(=O)C2=NNC(=O)CC2)n(-c2ccccc2)n1 4364430 AZFXHVJWCVOWQB-UHFFFAOYSA-N 355.354 0.928 0 40 FCAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C 6004498 IBMRDXMOUYCTTN-GFCCVEGCSA-N 356.400 0.775 0 40 FCAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cnccn1)n2CC 7123842 FHPNWELXNJYMOX-UHFFFAOYSA-N 372.385 0.853 0 40 FCAB COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CCS1 7667942 DTXQWGPUMDRZDP-ZDUSSCGKSA-N 358.441 0.924 0 40 FCAB CC(C)Cn1c(N)c(C(=O)COC(=O)[C@H]2CC=CCC2)c(=O)n(C)c1=O 7786107 RZLNXEIIFQBWER-LBPRGKRZSA-N 363.414 0.867 0 40 FCAB CCOC(=O)[C@H]1C(=O)Nc2nc(N)[nH]c(=O)c2[C@H]1c1ccc(OC)cc1 8020433 ZKRMGKJRCRFVEH-ZYHUDNBSSA-N 358.354 0.624 0 40 FCAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O 8507155 RQKCRXQQIMKPNG-CYBMUJFWSA-N 367.427 0.000 0 40 FCAB CN1CCN(c2ncc3c(=O)n(CCCN4CCOCC4)ccc3n2)CC1 9290386 JTDBQKHDAYGLTF-UHFFFAOYSA-N 372.473 0.266 0 40 FCAB COc1ccc2[nH]cc(NC(=O)NCCCN3CCOCC3)c(=O)c2n1 19563758 PIGKPHZIHJBVIH-UHFFFAOYSA-N 361.402 0.776 0 40 FCAB Cc1cc(C)n(CC(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)n1 19573377 BONIMSXQOXTUFE-UHFFFAOYSA-N 356.430 0.711 0 40 FCAB COCCCN1C[C@@H](C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1=O 19590975 SUNBNFWJHNIREN-LBPRGKRZSA-N 361.398 0.865 0 40 FCAB C[C@H]1Oc2ccccc2N(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)C1=O 22553075 HVAQOISMPIAHHQ-BZNIZROVSA-N 352.412 0.494 0 40 FCAB CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2F)CC1 22892181 SSWOBSYMLYQNLH-LBPRGKRZSA-N 350.394 0.818 0 40 FCAB O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 23314548 IFPPLVYGRYQDQG-HNNXBMFYSA-N 370.413 0.373 0 40 FCAB Cc1nn(CN2CCN(S(=O)(=O)c3cccnc3)CC2)c(=S)n1C 25484047 XHVRHPBCOPLNSW-UHFFFAOYSA-N 368.488 0.619 0 40 FCAB CCCn1nc(Oc2nc(NCC)nc(N3CCOCC3)n2)ccc1=O 27666705 IHLJZTAIHQSWPL-UHFFFAOYSA-N 361.406 0.899 0 40 FCAB COc1cc([C@@H](C)O)cc(OC)c1OCC(=O)N1CCC[C@@H](C(N)=O)C1 89904549 YKUCSPZUETUVAZ-VXGBXAGGSA-N 366.414 0.860 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2cnccn2)C[C@@]2(CC(=O)N(C)C2)C1 96036113 YYNNTHOHMZGNNB-SFHVURJKSA-N 374.445 0.201 0 40 FCAB Nc1nc(N)c2c(n1)O[C@@]1(COCCN(Cc3ccccc3C(=O)O)C1)C2 257304371 SLICOQCNWWUFQG-SFHVURJKSA-N 371.397 0.545 0 40 FCAB CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)CC2=CCCCC2)CCO1 263225289 ZVMGWOPTGJZRGY-AWEZNQCLSA-N 374.459 0.451 0 40 FCAB CCOCC(=O)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306126098 DMXPTTKVHHRNBA-AWEZNQCLSA-N 368.455 0.650 0 40 FCAB Cc1c([C@H]2[C@H](C(=O)N3CCCNC(=O)[C@@H]3C)CC(=O)N2C2CC2)cnn1C 622852168 WYTVGSXWYBAQEE-DXCKQFNASA-N 373.457 0.518 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cnn3ccccc23)CCO1 681942714 ODGURIBKBGTNTA-CYBMUJFWSA-N 360.370 0.108 0 40 FCAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CCn2cc(Cl)cn2)C1 685942186 GTARWFNBYBETRQ-DMDPSCGWSA-N 352.826 0.726 0 40 FCAB CN1CCC(N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cnc4ccccc43)[C@H]2O)CC1 952844890 RIHLWYANEXBGSH-IEWDOMPSSA-N 358.442 0.746 0 40 FCAB biogenic,in-vitro Cc1noc(C2CN(C(=O)c3cc(S(=O)(=O)N(C)C)cn3C)C2)n1 1116778339 DGZYALPYUBWQOU-UHFFFAOYSA-N 353.404 0.206 0 40 FCAB O=C(CCc1cncnc1)N1CCOC[C@]2(C[C@H](Cn3ccnc3)CO2)C1 1565546921 GZQQZDNFPMIRBX-MJGOQNOKSA-N 371.441 0.940 0 40 FCAB CCOCC(=O)N1CCC(N=c2ccn(C)[nH]2)(C(=O)N2CCCC2)CC1 2055746399 XOQTZMJBAXRTBM-UHFFFAOYSA-N 363.462 0.274 0 40 FCAB C1COCCOCCOCCOCCOCCOCCOCOC1 5134291 WHLFCESGIBJNGL-UHFFFAOYSA-N 352.424 0.480 0 40 FCAB C[C@@]1(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)CCS(=O)(=O)C1 6879409 PCUHRMHSIABDKD-CQSZACIVSA-N 353.379 0.173 0 40 FCAB Cc1ccnc2nc(C(=O)OCCN3C(=O)c4ccccc4C3=O)nn12 7562933 LOQJWJAYBACUOX-UHFFFAOYSA-N 351.322 0.886 0 40 FCAB CC1=NN(CCCO)c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2C1 9060327 DLSNMAIECKDMLX-UHFFFAOYSA-N 362.434 0.521 0 40 FCAB Cc1occc1-c1nn(C2CCN(S(=O)(=O)N(C)C)CC2)c(=O)o1 12182949 DEWWMCKHXMKZTD-UHFFFAOYSA-N 356.404 0.848 0 40 FCAB O=C(CN1CCN(c2ccccc2Cl)CC1)N[C@@H]1CCS(=O)(=O)C1 13060939 JEKQVOOOSBRAGX-CYBMUJFWSA-N 371.890 0.765 0 40 FCAB COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1 14812958 OSCVTMXGFGBNQY-UHFFFAOYSA-N 362.411 0.774 0 40 FCAB COc1cc(/C=c2/sc3n(c2=O)C(=O)C[C@@H](C)N=3)cc(OC)c1OC 16608395 XENVPCYOFFLNNY-TVNQGELYSA-N 362.407 0.816 0 40 FCAB C[C@@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)NC(=O)NC1CCCC1 16831267 NLGVAWNWNCIZCR-LLVKDONJSA-N 372.385 0.976 0 40 FCAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)CN(C)C)c3ncccc23)C1 19016535 BZRFREPAVOPUJJ-CQSZACIVSA-N 358.446 0.445 0 40 FCAB Cn1c(NC(=O)c2ccn(COc3ccccc3)n2)cc(=O)n(C)c1=O 27971799 IVZFJWJTASNOOM-UHFFFAOYSA-N 355.354 0.569 0 40 FCAB COCCN1CCC(CNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 38582972 KKCMEFGCBSFDDE-UHFFFAOYSA-N 361.508 0.133 0 40 FCAB COc1ccc(C(=O)O[C@@H]2C[C@@H](C)OC2=O)cc1S(=O)(=O)NC1CC1 39977891 WQTJDUZHYCQBJC-NOZJJQNGSA-N 369.395 0.997 0 40 FCAB COC(=O)c1ccc(O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 40005757 RUUQDHUYGVGXSH-YPMHNXCESA-N 355.412 0.886 0 40 FCAB CC(C)NC(=O)CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 53625263 YSMUYQBHANGPSZ-OAHLLOKOSA-N 367.471 0.871 0 40 FCAB COC(=O)CCNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 58291651 DKILCOZWYIECCI-HUUCEWRRSA-N 371.393 0.940 0 40 FCAB COC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccccc1 67286644 NENFEBWUOYNPGC-QGZVFWFLSA-N 372.425 0.632 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)c2ccncc2)C[C@]2(CC(=O)N(C)C2)C1 96036066 SVICJHDONUKSBL-IBGZPJMESA-N 358.442 0.871 0 40 FCAB CCc1ccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)NC)=NO3)C2)cc1 96225433 BFGHRSYEQKTXCK-MRXNPFEDSA-N 351.428 0.905 0 40 FCAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)N2CCN(CC(=O)NC3CC3)CC2)C1 96908302 GQNWCSVOBNBRRG-BZUAXINKSA-N 350.507 0.776 0 40 FCAB C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 97019080 XBQFZQPBGHZSPC-CYBMUJFWSA-N 351.472 0.746 0 40 FCAB CC(C)(C(=O)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O)n1cncn1 257265227 LXUWYYYYRCJRBI-RBSFLKMASA-N 351.451 0.134 0 40 FCAB Cc1cnc([C@@H]2CCCN(C(=O)CN3CCN(CCO)CC3)C2)s1 257317115 VILYMIJQNFNFDK-OAHLLOKOSA-N 352.504 0.767 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)Cc3ccccc3)C[C@@H]21 585110167 RJQAVRFRGVGBCX-HUUCEWRRSA-N 354.410 0.613 0 40 FCAB Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)ccc1-n1cccn1 643433322 YJEIUBOPZVMSOQ-CQSZACIVSA-N 363.395 0.505 0 40 FCAB Cn1cnc(S(=O)(=O)N2CC3(CC(=O)N(Cc4ccccc4)O3)C2)c1 1549162464 QJGCIMPIUMFKNK-UHFFFAOYSA-N 362.411 0.527 0 40 FCAB CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)c3csnn3)CC2)CO1 1614936354 BBZOHPUEXAYJDH-NSHDSACASA-N 353.448 0.869 0 40 FCAB CCN1C[C@@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)OCC1=O 1614973424 ARGSIZQEUYDCFB-QGZVFWFLSA-N 351.378 0.240 0 40 FCAB Cc1cnc(OC[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1 1776000684 FVKNYGAQZYKEPH-CYBMUJFWSA-N 351.432 0.998 0 40 FCAB CCC1=NC(=O)[C@]2(CC[C@@H]3CN(S(=O)(=O)c4cn(C)cn4)C[C@@H]32)N1 2055772493 NOMZZTFXVWEYAR-JRPNMDOOSA-N 351.432 0.128 0 40 FCAB CCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc(Cl)c1 3073398 GXYTZAJHKXHSSX-VIFPVBQESA-N 363.757 0.974 0 40 FCAB C[C@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C[C@@H](C)O1 5937417 JTGBETUDUKRWNX-OKILXGFUSA-N 354.476 0.631 0 40 FCAB CCCN(C(=O)CSc1nc(C)cc(N)n1)[C@H]1CCS(=O)(=O)C1 7048979 GWWXAMQRKSUWMZ-NSHDSACASA-N 358.489 0.885 0 40 FCAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCOCC2)n1 9037900 OXGFQZVOJFRROF-UHFFFAOYSA-N 374.401 0.014 0 40 FCAB COCCNC(=O)CNC(=O)CCCNC(=O)c1ccc(Cl)cc1 9953846 HOZGPDFZJISSFE-UHFFFAOYSA-N 355.822 0.729 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1Br 10284474 YVFLDOJHJYJFDX-UHFFFAOYSA-N 363.233 0.920 0 40 FCAB Cn1c(=O)c2c(nc3n(CCCO)c(-c4ccc(F)cc4)cn23)n(C)c1=O 12427918 DGOKMEXWQVOBAF-UHFFFAOYSA-N 371.372 0.875 0 40 FCAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 12637451 BSWYMZGWPFBSSJ-OAHLLOKOSA-N 353.444 0.886 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(c2ncccn2)CC1 17299380 RHAPQPSTRSJJBR-UHFFFAOYSA-N 367.417 0.005 0 40 FCAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCc2ccccc21 20955005 RJKZVIOWPIMQAG-INIZCTEOSA-N 363.483 0.380 0 40 FCAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 22246612 QFZURSSWMZOOIB-PWSUYJOCSA-N 367.427 0.621 0 40 FCAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc1 24716405 VXSAHPWKENJXCD-UHFFFAOYSA-N 374.422 0.763 0 40 FCAB O=C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)NC[C@H]1CCCO1 38670676 GGUFFQBYJZEHCG-OAHLLOKOSA-N 357.458 0.976 0 40 FCAB O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCCc2ccccc2)CC1 50076300 RMZUXZYQWHHKKA-UHFFFAOYSA-N 372.425 0.232 0 40 FCAB Cc1cc(C)nc(N2CCC(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)n1 79484687 DSGSJIGVOTZJEK-AWEZNQCLSA-N 352.460 0.613 0 40 FCAB O=C(Cn1ncccc1=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96099534 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CCOC(=O)CN(C(=O)CN1CCc2cnc(N)nc2C1)c1ccccc1 598950614 SXMIANYWOLYYFG-UHFFFAOYSA-N 369.425 1.013 0 40 FCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(Cn3cccn3)on2)C1 644789754 HRDBLYDSUKHSQE-NSHDSACASA-N 353.404 0.073 0 40 FCAB O=C(Cc1ccc(F)cn1)N1CCC2(CC1)C(=O)NCCN2CC1CC1 1565542858 YIIBATQHOINPMI-UHFFFAOYSA-N 360.433 0.966 0 40 FCAB CN1CCN(CC2CC2)C(=O)C12CCN(C(=O)CCc1cncnc1)CC2 1565546875 FWDSRPLEKTUMAQ-UHFFFAOYSA-N 371.485 0.954 0 40 FCAB Cc1noc(CC(=O)N2CCC[C@@](C(=O)NCC3CC3)(n3ccnc3)C2)n1 2055772089 VWXHUKCPOHSOJZ-GOSISDBHSA-N 372.429 0.661 0 40 FCAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 5229862 VVZFVPMPVCQRCY-WDEREUQCSA-N 371.438 0.219 0 40 FCAB biogenic Cc1ccsc1C(=O)O[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 8708244 BBOQZVRDXUZTJA-QMMMGPOBSA-N 351.384 0.464 0 40 FCAB COc1cc(OC)c2c(C)c(CC(=O)NC[C@H](O)CO)c(=O)oc2c1 8764726 ZMXIKTRJKQUAOR-JTQLQIEISA-N 351.355 0.131 0 40 FCAB biogenic CCOC(=O)CN(C(=O)COC(=O)c1nccnc1N)c1ccccc1 8777660 BEXCPBUCBFMYNT-UHFFFAOYSA-N 358.354 0.812 0 40 FCAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O 9067487 VBJOTWCDSOAHHG-INIZCTEOSA-N 350.350 0.958 0 40 FCAB CCn1c(=O)n(CC(=O)N2CCN(c3cnccn3)CC2)c2ccccc21 11545967 VQCJSXJRYZBICY-UHFFFAOYSA-N 366.425 0.962 0 40 FCAB O=C(c1cnccn1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 13267419 ORSYZLYXACUDJD-UHFFFAOYSA-N 359.411 0.813 0 40 FCAB Cn1nnnc1SCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13411340 BNCWYKNAOSSWOB-GFCCVEGCSA-N 360.399 0.596 0 40 FCAB CCc1ccc(N2CCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 13816280 HRMOXTHSEFLTIM-UHFFFAOYSA-N 369.425 0.993 0 40 FCAB Nc1nccnc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 14043869 HZOOQJFLWCGYLW-UHFFFAOYSA-N 361.427 0.347 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1cccc(C(F)(F)F)c1 25032407 RVBKPMHJIGUPPF-GFCCVEGCSA-N 374.315 0.974 0 40 FCAB C/C=C1\C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 33342871 BCJMNZRQJAVDLD-RYPQGOORSA-N 351.399 0.165 0 40 FCAB O=C(Cn1cc(Br)ccc1=O)N[C@]1(C(=O)O)CCSC1 43509034 MEPHKZXXIWQILO-GFCCVEGCSA-N 361.217 0.687 0 40 FCAB CN(Cc1ncc(C(=O)O)c(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1 49468527 YURNNTFXHJJVNY-UHFFFAOYSA-N 357.775 0.942 0 40 FCAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1 57279528 PESRGWUBKRCFJU-UHFFFAOYSA-N 366.447 0.305 0 40 FCAB CN(C(=O)CNc1ccc(F)cc1OCCO)[C@@H]1CCS(=O)(=O)C1 58190967 OZNJTGQVEDWVFF-GFCCVEGCSA-N 360.407 0.254 0 40 FCAB CC(C)n1nc(CC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 79488626 UIXBANVKNPHTCN-LBPRGKRZSA-N 363.439 0.823 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(-n3cccn3)nn2)cc1 90607731 CTVMZAJCRDCENF-UHFFFAOYSA-N 374.382 0.327 0 40 FCAB CCOC(=O)CN(C(=O)COC(=O)[C@@H]1COCCN1C)c1ccccc1 95942949 FFVQFTKBMLOWRN-HNNXBMFYSA-N 364.398 0.457 0 40 FCAB Cc1ncsc1C(=O)N1CC[C@H]2OCCN(S(C)(=O)=O)[C@@H]2CC1 96249459 WUEHOTRJNIBDAX-VXGBXAGGSA-N 359.473 0.717 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1cccnc1)CC2 247918758 ZXWSRGUTRSTVKQ-HNNXBMFYSA-N 367.471 0.842 0 40 FCAB Nc1nc(N)c2c(n1)O[C@]1(CCN(C(=O)CCCNc3ncccn3)C1)C2 257288538 PUOYRFGMLOWLEB-QGZVFWFLSA-N 370.417 0.229 0 40 FCAB O=C(C1CC1)N1CC[C@]2(C1)Cn1c(nn(CC3CCC3)c(=O)c1=O)CO2 306136137 PKJFBTLONLYNKW-SFHVURJKSA-N 360.414 0.116 0 40 FCAB CNC(=O)C[C@]1(COC)CN(C(=O)c2ccc3c(c2)OCO3)CCO1 585276604 BNXJRXSZSWHCOW-QGZVFWFLSA-N 350.371 0.409 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)CC[C@@H]2CCCCO2)CCO1 681942804 QHLYQEBCJIHZMM-LSDHHAIUSA-N 356.419 0.496 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCO)CC2)cc1 6756641 PMOILUZLBYGVSW-UHFFFAOYSA-N 356.444 0.595 0 40 FCAB CCCn1nnnc1CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 7080773 ZMGFFUSJJNTPAZ-QGZVFWFLSA-N 372.385 0.865 0 40 FCAB CCn1c(=O)c(C(=O)Cn2ccnc2)c(N)n(Cc2ccccc2)c1=O 10809475 RGDSVCSMYFLKRY-UHFFFAOYSA-N 353.382 0.740 0 40 FCAB COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)cc1OC 13121859 OYHDFHMBDQHTQM-MRXNPFEDSA-N 373.413 0.865 0 40 FCAB CN1c2ncccc2C(=O)NC12CCN(C(=O)CCn1cncn1)CC2 19590900 VFKXACOLQAZWLB-UHFFFAOYSA-N 355.402 0.262 0 40 FCAB COc1ccc(NC(=O)C[C@H]2SC(NC(=N)N)=NC2=O)c(OC)c1 20102083 UELUQESFDRFWHF-SNVBAGLBSA-N 351.388 0.513 0 40 FCAB Cc1nn(C)c2ncc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc12 23179067 QLBBGPAQYJTRQU-UHFFFAOYSA-N 370.457 0.657 0 40 FCAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24052262 KWCGWDYSFZYKTG-ZDUSSCGKSA-N 360.457 0.331 0 40 FCAB Cn1ncc2c(=O)n(CCC(=O)O[C@H](C(N)=O)c3ccccc3)cnc21 24110571 ZZWJPIBQNMPUNG-AWEZNQCLSA-N 355.354 0.290 0 40 FCAB CC(C)[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N1CCc2ccccc2C1 25918400 UZUUJBKSVMSYDX-KRWDZBQOSA-N 370.453 0.736 0 40 FCAB CCNC(=O)[C@H](C)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 30224354 SZRPJKVESIPUDE-ZDUSSCGKSA-N 358.398 0.577 0 40 FCAB COc1ccc(S(=O)(=O)N(CC(N)=O)CC(C)C)cc1NC(C)=O 31656926 GCESUGRRKSFDOM-UHFFFAOYSA-N 357.432 0.786 0 40 FCAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)C1 32916423 OKAPYBUTZSRMQR-FRRDWIJNSA-N 353.510 0.223 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)c3cnn(Cc4ccccc4)c3)CC2)N1 40033868 PVTMADNIVMMFAJ-UHFFFAOYSA-N 353.382 0.746 0 40 FCAB COc1ccccc1N1C[C@H](C(=O)N[C@@H](C)CN2CCOCC2)CC1=O 46885900 MYDRSSSWCCOBBN-LSDHHAIUSA-N 361.442 0.885 0 40 FCAB CCC(=O)NCC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 58224254 LMCQDCOOPBVDKI-UHFFFAOYSA-N 367.471 0.730 0 40 FCAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@]21C(=O)N(CC(N)=O)c2ccccc21 71279610 YBOVHEOVIIXJLW-SFHVURJKSA-N 369.381 0.867 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)O)cc1C(=O)O 85344798 BBXVFOIOIFPCBO-JTQLQIEISA-N 363.413 0.878 0 40 FCAB COc1ccc(OC)c([C@H]2CC(c3c(O)n(C)c(NN)nc3=O)=NN2)c1 101848085 MKYGFZUBCMDDCI-SNVBAGLBSA-N 360.374 0.227 0 40 FCAB CN(Cc1ccco1)C[C@H]1CC[C@]2(COCCN(S(C)(=O)=O)C2)O1 107766970 KZMMMDYVLQOXMA-CVEARBPZSA-N 358.460 0.921 0 40 FCAB CS(=O)(=O)c1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1 252500989 UAVVYASHYXGKEH-UHFFFAOYSA-N 362.411 0.969 0 40 FCAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1ccc(=O)[nH]n1 253405562 SPWJPTJKFPSBLY-UHFFFAOYSA-N 353.367 0.866 0 40 FCAB CN(C)C(=O)[C@]1(C)CN(C(=O)c2ccnc(-c3cncnc3)c2)CCO1 257237136 HFHVFPWDEIFMBR-SFHVURJKSA-N 355.398 0.858 0 40 FCAB Cc1cccc(N2CCC[C@@H](N(C)S(=O)(=O)N3CCOCC3)C2)n1 257240416 HTIYUFHPWAPSSV-OAHLLOKOSA-N 354.476 0.868 0 40 FCAB Cc1cc(C(=O)N2CC[C@@](C)(O)[C@H](n3cnc4c(N)ncnc43)C2)no1 257309312 UAKKYEMYASNTMB-BDJLRTHQSA-N 357.374 0.543 0 40 FCAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)CCCn1ccnc1 257312203 UMWBQDCBASBEBF-GOSISDBHSA-N 358.446 0.943 0 40 FCAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 607294849 ICNLBHCRCWYHIL-UONOGXRCSA-N 359.492 0.615 0 40 FCAB Cc1c(NC(=O)CN2CCCC[C@H](O)C2=O)cnn1C1CCOCC1 644491202 ZVBGLVHZDMPCNU-HNNXBMFYSA-N 350.419 0.855 0 40 FCAB CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)[C@@H]1n1cccn1 664971193 QUHQCUQIIGISGW-QMIVOQANSA-N 370.475 0.867 0 40 FCAB O=C(C1CC(O)C1)N1CC[C@@]2(CCN2S(=O)(=O)c2cccs2)C1 1565550889 JIRQSOJIYXAQEW-KOHJWAIASA-N 356.469 0.885 0 40 FCAB Cn1nccc1[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)C[C@H]1N 1615588615 CIBGQBCXBWSZNL-HZPDHXFCSA-N 355.442 0.824 0 40 FCAB CC1CCN(C(=O)[C@@H]2C[C@@H]3CCN(S(=O)(=O)N(C)C)C[C@H]3O2)CC1 2055729650 IYPRSJWQYDSRHZ-SOUVJXGZSA-N 359.492 0.531 0 40 FCAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 3479769 TVCLQCBDYXUXNJ-NXEZZACHSA-N 361.354 0.449 0 40 FCAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)Cn1cnnn1)c1ccccc1O2 12326325 ANLNBHYSKHDXPW-KSSFIOAISA-N 370.413 0.694 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(C)cc(C)cc1C 12622794 FWOACJNYHZJTQQ-CYBMUJFWSA-N 354.428 0.664 0 40 FCAB CC(C)(C)NC(=O)CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 12991361 SIGJQSPSAIJLBQ-UHFFFAOYSA-N 353.444 0.871 0 40 FCAB COC(=O)c1sccc1S(=O)(=O)NCC(C)(C)N1CCOCC1 14187732 BGEYQRHACZLDDE-UHFFFAOYSA-N 362.473 0.924 0 40 FCAB NC(=O)C1CCN([C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)CC1 18240837 BTXHOLUIPZMXSY-ZDUSSCGKSA-N 359.382 0.287 0 40 FCAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(=O)[nH]c1 22955783 UKQVHORPJVAGBY-UHFFFAOYSA-N 356.382 0.965 0 40 FCAB Cn1c(=O)c2c(ncn2CCCN2C(=O)c3ccccc3C2=O)n(C)c1=O 24700725 OGVJEUOWILQEGU-UHFFFAOYSA-N 367.365 0.120 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 29693472 ZTDIRZWSPWQEHG-CQSZACIVSA-N 360.458 0.953 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N=c1[nH]c2ccccc2[nH]1 32768012 CBOQVJOOIQVVOR-SECBINFHSA-N 363.399 0.895 0 40 FCAB Cn1nc(C(=O)Nc2ccc3c(c2)OCCO3)c2c1CCS(=O)(=O)C2 41070312 XSQRSTPYPUDAFQ-UHFFFAOYSA-N 363.395 0.915 0 40 FCAB O=S1(N2CC2)=NP(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=N1 43504675 IQMLWPPOVFMTOU-UHFFFAOYSA-N 362.340 0.768 0 40 FCAB Cn1c(=O)c2c(nc(N)n2Cc2ccc(Br)cc2)n(C)c1=O 72226891 ZTCUFNHIENUPSA-UHFFFAOYSA-N 364.203 0.827 0 40 FCAB C[C@@H](O)CCN(C)C(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O 84637193 DUNUQVWYLSXXLF-SECBINFHSA-N 362.835 0.911 0 40 FCAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nnc(Cl)c(N)n3)CC2)C1 84686249 FPHYZODWAGMOPX-TXEJJXNPSA-N 367.885 0.734 0 40 FCAB COc1ccc(-n2cc(C(=O)NCCN3CCOCC3)ccc2=O)cc1 96192080 FXJOHZNQKWOGTJ-UHFFFAOYSA-N 357.410 0.908 0 40 FCAB CCN1CCn2c(nn(CC(=O)N[C@H]3CCc4ccccc43)c2=O)C1=O 98213045 GLXJQFWGHCHYFR-AWEZNQCLSA-N 355.398 0.324 0 40 FCAB COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccnc1 100155576 VTIDZTUTPLMDEP-CYBMUJFWSA-N 374.349 0.411 0 40 FCAB CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCc2cn3ccccc3n2)C1 116938637 PMCFELZAQWYJMG-CYBMUJFWSA-N 351.432 0.210 0 40 FCAB O=C(c1cc(N2CCCC2)ncn1)N1CCN(S(=O)(=O)C2CC2)CC1 225537377 NNYAUFQFWRIGJX-UHFFFAOYSA-N 365.459 0.327 0 40 FCAB O=C(c1ccc(=O)[nH]c1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225760322 DCILJLHJJGKRFD-UHFFFAOYSA-N 366.377 0.855 0 40 FCAB CN(C)Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3cnccn3)C2)cc1 257208287 BLMYMLCEVVCWKE-IBGZPJMESA-N 355.442 0.909 0 40 FCAB CN1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)C[C@H]1C(N)=O 257274274 NKHMTHMJKMHIOW-LBPRGKRZSA-N 369.347 0.683 0 40 FCAB COCCOc1cc(CN2C[C@@H](O)[C@H](NC(=O)COC)C2)ccc1OC 257296622 RDOYTGURGBPPEV-HUUCEWRRSA-N 368.430 0.028 0 40 FCAB CN(C)C[C@]1(O)CCCN(C(=O)CCNC(=O)c2cncc(O)c2)CC1 257306578 SUXFWFPFRXEVIP-SFHVURJKSA-N 364.446 0.212 0 40 FCAB CCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cscn1 306138171 RROAOCMCIWFYEI-NSHDSACASA-N 359.473 0.704 0 40 FCAB Cc1cncc(OC[C@H]2Cc3c(ncn3C)CN2C(=O)C2CC(O)C2)n1 585094860 QSJCOSDYHRQXOH-ROKHWSDSSA-N 357.414 0.622 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN([C@@H]2CCOC2)CC1 618256245 PRDMWVGBJVJOQC-OAHLLOKOSA-N 356.492 0.816 0 40 FCAB O=C(O)Cn1ccc(NC(=O)CNC(=O)N2CCc3ccccc3C2)n1 663144448 CLQRGOQKHHLJDG-UHFFFAOYSA-N 357.370 0.674 0 40 FCAB CN(Cc1cccn1C)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 684462530 MOSMUUDGIOFESF-QGZVFWFLSA-N 362.430 0.599 0 40 FCAB Cc1noc(CC(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)n1 1614940478 NRJPNELBOZCODU-GOSISDBHSA-N 370.413 0.265 0 40 FCAB NC[C@H](NC(=O)Cn1cnc2c1CCNC21CCOCC1)C1CCCC1 1615549008 GERKHLCTLDGWSF-HNNXBMFYSA-N 361.490 0.668 0 40 FCAB CNC(=O)[C@@H]1CCCN(C(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)C1 1617144925 UJFMXGRJWZJHFD-GFCCVEGCSA-N 358.402 0.171 0 40 FCAB O=C(COCC(=O)N1CCN(c2ccccn2)CC1)NCc1ccccn1 7099814 GBFBOSOLHZDOSZ-UHFFFAOYSA-N 369.425 0.458 0 40 FCAB Nc1cc(=O)[nH]c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 7343005 MORMFYCWGULDGL-UHFFFAOYSA-N 363.418 0.932 0 40 FCAB Cc1cc(CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)on1 8543483 VFYYBPZABIKBJQ-MRXNPFEDSA-N 353.342 0.926 0 40 FCAB O=C(O)C1CCN([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)CC1 9306332 BJGJAXHNEPLZQQ-CYBMUJFWSA-N 360.366 0.886 0 40 FCAB CS(=O)(=O)Nc1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 12526325 DRKLSAXTUHCVEV-UHFFFAOYSA-N 351.428 0.753 0 40 FCAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCN(c2ncccn2)CC1 12939807 QAXZNIPUQDONGB-UHFFFAOYSA-N 366.381 0.642 0 40 FCAB Cn1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cn1 14142183 RENUFZSIJDIQDZ-UHFFFAOYSA-N 368.390 0.832 0 40 FCAB COc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1OC 14808202 HLEKSPJFQYLXCG-UHFFFAOYSA-N 356.444 0.992 0 40 FCAB CC(=O)N1C[C@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)Oc2ccccc21 21473966 YFPXKHLKNXLPOQ-CQSZACIVSA-N 372.381 0.001 0 40 FCAB Cc1cccc2c(=O)[nH]c(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)nc12 23105443 PBKZMQLRVHWWRE-UHFFFAOYSA-N 374.422 0.692 0 40 FCAB CN(CC(=O)OCC(=O)NC[C@H]1COc2ccccc2O1)c1ncccn1 23173524 LMQVURKKOAYSKU-ZDUSSCGKSA-N 372.381 0.412 0 40 FCAB Cn1ncc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1-n1cccc1 27266747 AREGLGUDAVHYPA-UHFFFAOYSA-N 365.397 0.794 0 40 FCAB COC(=O)N1CCN(CCNC(=O)NCCc2ccc(OC)cc2)CC1 44227239 SXQUIBPZZWXGNZ-UHFFFAOYSA-N 364.446 0.921 0 40 FCAB C[C@@H](CO)N1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 75094591 PCFTZRCRUAJOKZ-INIZCTEOSA-N 362.474 0.460 0 40 FCAB CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)(C)C 95629671 JGLLCGABBJVUBG-GKSGUAPZSA-N 355.435 0.145 0 40 FCAB CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](F)[C@@H](OC(C)=O)[C@H]1OC(C)=O 95869950 KIPRSJXOVDEYLX-RGDJUOJXSA-N 350.295 0.039 0 40 FCAB CCN1C[C@@H]2[C@@H](OC)CCN(S(=O)(=O)c3c(C)nn(C)c3C)[C@@H]2C1 96109409 YIEOPZBCKXHPOT-ZNMIVQPWSA-N 356.492 0.767 0 40 FCAB CN(C)C(=O)CN1CCN(C)C2(CCN(Cc3ccncc3)CC2)C1=O 96230088 VKGPXELLJIHATP-UHFFFAOYSA-N 359.474 0.278 0 40 FCAB COCC(=O)N1CCC2(CC1)CN(Cc1cccnc1)C[C@@]21CCNC1=O 97952849 CHUKXAXKJDZGJP-HXUWFJFHSA-N 372.469 0.659 0 40 FCAB CS(=O)(=O)CC(=O)N1CC2(C1)OCC[C@@H]2CCNc1ccccn1 247487148 AIUHKABCVWLPHG-ZDUSSCGKSA-N 353.444 0.546 0 40 FCAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3cncs3)CC2)OC[C@]1(C)O 257200175 ACGYKERYMOMAAW-ZFWWWQNUSA-N 353.444 0.794 0 40 FCAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3ccnn3C)CC2)cn1 257332145 XVXUEQXBRKPUJX-UHFFFAOYSA-N 356.430 0.941 0 40 FCAB O=C(C[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2ccnn21)NCC1CCOCC1 585095136 CTWMDICXLPOMKT-OAHLLOKOSA-N 372.429 0.736 0 40 FCAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1 585100893 ACGDTGIGNAWZOD-CQSZACIVSA-N 361.442 0.921 0 40 FCAB CN(C)S(=O)(=O)N1CCN(CCOc2cccc(C(=O)O)c2)CC1 656761970 XLUWZAKORDHLLS-UHFFFAOYSA-N 357.432 0.188 0 40 FCAB COCCN1C[C@]23CN(C(=O)c4ccc(C)o4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565550179 SOUWTSZEVSHUSV-IVMMDQJWSA-N 370.427 0.232 0 40 FCAB Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(C(=O)C2(F)CC2)C3)cn1 1614936242 XNCMFZNHRVCIGT-RHSMWYFYSA-N 362.405 0.911 0 40 FCAB CC(C)N(C)CC(=O)N1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 1614947053 IHXOFXPKSMHELK-CQSZACIVSA-N 361.508 0.416 0 40 FCAB CSCc1ccc(C(=O)NC[C@@]2(c3nccn3C)NC(=O)NC2=O)cc1 1616034903 DCAFVYWIRGUUMO-KRWDZBQOSA-N 373.438 0.748 0 40 FCAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12 2106053 CXMTYIZEYXNGAC-LBPRGKRZSA-N 363.322 0.914 0 40 FCAB biogenic O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NC1CCCC1 6540286 VXXHDOCTEGKERX-UHFFFAOYSA-N 353.444 0.692 0 40 FCAB Cc1cn2c(nc3c2c(=O)n(CC(=O)OCc2ccccc2)c(=O)n3C)o1 6660664 QXORVUUYEMRNGO-UHFFFAOYSA-N 368.349 0.993 0 40 FCAB CCc1sc(C(=O)OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1C 12786777 AGFIMBMAWGRIDM-UHFFFAOYSA-N 374.484 0.880 0 40 FCAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CCCO2)cc1 12923044 CWQRHYFALJNYGM-LBPRGKRZSA-N 362.473 0.784 0 40 FCAB COc1ccc(OCCN(C)CC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 15307776 ORPPMECRQVLDCI-QGZVFWFLSA-N 370.471 0.699 0 40 FCAB CC(=O)NCC(=O)N1CC[C@@H](C(=O)c2cnn(-c3ccc(C)cc3)c2N)C1 19213253 RLQYSMALLYHIKP-CQSZACIVSA-N 369.425 0.930 0 40 FCAB CN1C[C@@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 20464430 XQBPANGVYOYXIZ-QWRGUYRKSA-N 366.399 0.760 0 40 FCAB biogenic,in-vitro O=C(C[C@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(F)cc1 22996966 BZZDTRBTPAIZLT-HNNXBMFYSA-N 353.394 0.919 0 40 FCAB C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccco1 25107931 IMADMRNTIWXNIL-LLVKDONJSA-N 354.366 0.880 0 40 FCAB CCC(=O)Nc1ccc(O)c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 58244034 GIHWEBBJBUZDAT-UHFFFAOYSA-N 360.370 0.555 0 40 FCAB CCCCCCn1cc(S(=O)(=O)N2CCOC[C@@H]2C)c(=O)[nH]c1=O 95430547 VFNPNJYRXUVRBR-LBPRGKRZSA-N 359.448 0.526 0 40 FCAB CN1C(=O)CN(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1=O 96006721 CAXAAHXNVJQDFO-UHFFFAOYSA-N 353.278 0.673 0 40 FCAB Cn1cc(C(=O)NCCn2nc(-c3cccs3)n(C3CC3)c2=O)nn1 96096652 NNRDKDKMNGEFBC-UHFFFAOYSA-N 359.415 0.667 0 40 FCAB CS(=O)(=O)CC(=O)N1CCC2(CC1)C[C@H](Oc1cccnc1)CO2 96106740 QVUXZCFWVSNLBF-AWEZNQCLSA-N 354.428 0.655 0 40 FCAB COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cccnc3)C2)cc1 96121895 BBJOSZPSQIEFPF-UHFFFAOYSA-N 368.436 0.937 0 40 FCAB CC(C)n1cc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cn1 96192154 ZJIACMKSHVHOKN-HNNXBMFYSA-N 363.462 0.655 0 40 FCAB CNC(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(CCc1ccccc1)S3(=O)=O)O2 96264036 KYKFVWSCQZKTDG-VYDXJSESSA-N 365.455 0.426 0 40 FCAB O=C(CN1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCCC1 121808809 ZXVJYNYTNIWAHR-UHFFFAOYSA-N 360.462 0.058 0 40 FCAB CNC(=O)COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1C 226744625 IMUKMLSYAFMIND-UHFFFAOYSA-N 366.443 0.685 0 40 FCAB O=S(=O)(NCC[C@@H]1CCOC12CN(c1ncc(F)cn1)C2)C1CC1 247327924 NYCPNLFIKIOKIH-LLVKDONJSA-N 356.423 0.683 0 40 FCAB Cc1nc(O)cc([C@H]2CN(S(=O)(=O)c3cn(C)nc3C)CCO2)n1 257329798 XLOYTACWIDMRDX-GFCCVEGCSA-N 353.404 0.295 0 40 FCAB COc1ncccc1CN1Cc2ccnn2[C@@H](CCNS(C)(=O)=O)C1 306123273 AIVUSUJEJGZGCB-HNNXBMFYSA-N 365.459 0.783 0 40 FCAB O=C(c1ccc[n+]([O-])c1)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390829752 GIYDPJBOOVUZMP-UHFFFAOYSA-N 367.365 0.608 0 40 FCAB COC(=O)c1cn(Nc2nc3ccccc3[nH]c2=O)cc2c(O)nnc1-2 524733516 PWRQAGWBLQOYHE-UHFFFAOYSA-N 352.310 0.987 0 40 FCAB CC(=O)N1CCC(C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 553086000 IJPJUPCNMOSCGG-GJZGRUSLSA-N 359.492 0.469 0 40 FCAB Cc1ccc(S(=O)(=O)NCCN[C@]2(C)CCS(=O)(=O)C2)c(C)c1 575424857 PKRIUPIZNCBRJQ-OAHLLOKOSA-N 360.501 0.749 0 40 FCAB Cn1cc(-c2nnn3c2CO[C@H](CNC(=O)Cc2ccc(F)cn2)C3)cn1 585113278 GSEPDTIFWVNLEB-CQSZACIVSA-N 371.376 0.470 0 40 FCAB CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@](CC(N)=O)(OC)C1 585280723 NVBOLZJDCPXDTI-QGZVFWFLSA-N 352.435 0.759 0 40 FCAB CC(C)N1C[C@H]2[C@H]([C@H]3C[C@H]2CN(C(=O)c2csnn2)C3)S1(=O)=O 1565550204 UPJQEGOJUNHFDU-KQXIARHKSA-N 356.473 0.669 0 40 FCAB O=C(c1ccc(O)nn1)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565552005 NHKREBHVSBBTFM-PXAZEXFGSA-N 356.386 0.848 0 40 FCAB O[C@@H](c1nc2ccccc2[nH]1)[C@@H](O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 3832748 UGRBLAMMQLLLQF-YHUYYLMFSA-N 354.366 0.928 0 40 FCAB in-vitro O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)N1CCCC1 8848847 WUMGRXFJSMZEPB-UHFFFAOYSA-N 359.361 0.318 0 40 FCAB COc1ccccc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12794718 GAGGPVVBWAQXDK-LLVKDONJSA-N 365.411 0.799 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccccc1F 20567884 CLJLCRUYJZKXPK-UHFFFAOYSA-N 373.450 0.430 0 40 FCAB O=C(Cn1nnc2ccccc21)NCCn1nnn(-c2cccs2)c1=O 72341033 HPKSHWLMHJHZSI-UHFFFAOYSA-N 370.398 0.052 0 40 FCAB C[C@H](NC(=O)NC(=O)CSc1nc(N)nc(N)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103118529 TYTOOKWAQOLAKV-JLIMGVALSA-N 365.463 0.779 0 40 FCAB CN1CC2(CN(Cc3cccnc3)C2)OC[C@@H]1C(=O)NCc1ccco1 248086681 SCCCYLUPWMKMJE-QGZVFWFLSA-N 356.426 0.876 0 40 FCAB O=C(O)c1ccc(N2C(=O)C[C@H](N3CCn4c(cccc4=O)C3)C2=O)cc1 256055393 FIXYQESGTKTWRV-HNNXBMFYSA-N 367.361 0.694 0 40 FCAB CN(C)c1cc([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)ccn1 257264718 LVTYQYUQZAGBBP-HNNXBMFYSA-N 354.476 0.904 0 40 FCAB Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)/C=C/C(=O)O)C3)c2n1 257289629 PZMZCXIGAGRCLW-UEKDZROGSA-N 370.409 0.979 0 40 FCAB CN1Cc2nnc(C(=O)NC(C)(C)C)n2C[C@@]12CCN(C(=O)C1CC1)C2 306134387 NLNHCWCMVNKMNW-SFHVURJKSA-N 360.462 0.633 0 40 FCAB Cc1noc([C@H]2CN(C(=O)N[C@@H](C)C3(S(C)(=O)=O)CC3)C[C@@H](C)O2)n1 585123223 FYFLFPPEVFQPDW-JFGNBEQYSA-N 372.447 0.815 0 40 FCAB COc1cc(/C=C/C(=O)N(C)C[C@@H]2COC[C@@H](O)[C@H]2O)cc(OC)c1 643551200 PXNUEUZYYUCAOK-CKFVSCHDSA-N 351.399 0.544 0 40 FCAB O=C(c1cccc(F)c1Cl)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 643586308 XIWUIOPSYHSQHT-NFAWXSAZSA-N 358.797 0.358 0 40 FCAB CCc1cnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1 1888857129 RROIFKXRWHQBRW-UHFFFAOYSA-N 355.446 0.992 0 40 FCAB COCCC(=O)N1CCC(C(=O)N=c2ccn(C)[nH]2)(n2cccn2)CC1 2055704300 FFWKFIKCOWKMMH-UHFFFAOYSA-N 360.418 0.031 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC2(CC1)CCN(c1ncccn1)C2 2055803592 OIMXDHXONZGFHX-UHFFFAOYSA-N 352.460 0.730 0 40 FCAB CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1OC 3231008 QQFNRTCAVWEORF-UHFFFAOYSA-N 372.399 0.218 0 40 FCAB aggregator CN(CC(=O)O)C(=O)NC[C@H]1CCC[C@H](CNC(=O)N(C)CC(=O)O)C1 5525238 QTGHXCHFZAVOEG-RYUDHWBXSA-N 372.422 0.245 0 40 FCAB COc1cccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1OC 6913172 FCHBVORZQKGPGW-LLVKDONJSA-N 371.411 0.506 0 40 FCAB CC(C)C(=O)OCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 7735744 CCAGPDDARAUCSJ-UHFFFAOYSA-N 374.397 0.329 0 40 FCAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@H]1CCOC1=O 7772258 PULIXJVPUIDOCP-AAEUAGOBSA-N 366.395 0.608 0 40 FCAB COc1ccc(/C=c2\[nH]c(=O)/c(=C\c3ccc(OC)cc3)[nH]c2=O)cc1 12420293 ZBNXGFORSOSRMQ-MJZABRMRSA-N 350.374 0.738 0 40 FCAB C[C@H]1CN(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)C[C@@H](C)O1 12901796 YOEHPXHLAYVACY-DTORHVGOSA-N 361.320 0.602 0 40 FCAB COC(=O)c1cccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)c1 14076850 HCJCZTOPLPNXNW-UHFFFAOYSA-N 359.367 0.916 0 40 FCAB CN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccc2c(c1)OCO2 14094198 QUUQPIUOOHKDJL-UHFFFAOYSA-N 372.381 0.497 0 40 FCAB CCOC(=O)c1ccoc1Cn1cc(S(=O)(=O)N(C)C)ccc1=O 14162844 YAAKZJMHWWKIQI-UHFFFAOYSA-N 354.384 0.917 0 40 FCAB COCCn1nc(C(=O)Nc2c(C(N)=O)oc3ccccc23)ccc1=O 16046796 HEGWHJAWYRFUNX-UHFFFAOYSA-N 356.338 0.987 0 40 FCAB CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccccc2F)C1=O)C(=O)O 16899854 NJEYIEBTIVHXNV-JQWIXIFHSA-N 354.359 0.780 0 40 FCAB Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19583599 MVCLPSVGMDNRNY-AWEZNQCLSA-N 356.430 0.990 0 40 FCAB CCc1ccccc1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O 20567925 IPYOMDOOMMIAOI-UHFFFAOYSA-N 369.487 0.463 0 40 FCAB COc1cc2ncn(CC(=O)N3CCC(C(N)=O)CC3)c(=O)c2cc1OC 20717758 XCLYLHJYEBYMIM-UHFFFAOYSA-N 374.397 0.138 0 40 FCAB O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccncc1 20722566 OMCPKTDHERFZCI-HNNXBMFYSA-N 352.394 0.981 0 40 FCAB COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 32641424 VHTLCHVMEPVXKG-TZMCWYRMSA-N 369.439 0.815 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2snnc2-c2ccccc2)CC1 36360497 IBOGWKATFIFXKD-UHFFFAOYSA-N 352.441 0.923 0 40 FCAB Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)NC(C)(C)C)cn1C 58167845 XSPICUDDUHCEQP-JTQLQIEISA-N 374.463 0.243 0 40 FCAB Cc1nc(-c2ccccc2)n(CC(=O)N2CCOCC2)c(=O)c1CCO 67300380 KXJZQDFQSVXWSS-UHFFFAOYSA-N 357.410 0.612 0 40 FCAB CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 94993017 DITINLCKXFGMIH-CQSZACIVSA-N 373.409 0.273 0 40 FCAB CN1C(=O)[C@@H](NC(=O)C(=O)NC[C@@H](O)c2ccccc2)c2ccccc21 101451240 PTKAWFPSNVPTMS-CVEARBPZSA-N 353.378 0.670 0 40 FCAB O=S1(=O)CC[C@H](COc2ncccn2)C12CN(CC1CCOCC1)C2 247343694 TTWSOTXQJBWING-OAHLLOKOSA-N 367.471 0.771 0 40 FCAB OCCCOc1ccc(CNC[C@]2(O)CCN(c3cnccn3)C2)cc1 257307536 SZDBLWWUWONVAL-LJQANCHMSA-N 358.442 0.969 0 40 FCAB CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257318645 VOWGFTOSFOQODH-GDBMZVCRSA-N 359.417 0.692 0 40 FCAB CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCN(C(C)=O)CC1 257321314 WBCNUTHHDVWOEF-YRXWBPOGSA-N 361.442 0.236 0 40 FCAB CN(C)S(=O)(=O)N1Cc2cncn2[C@@H](COc2ncccc2F)C1 306124476 BQSONUCDRPOTKZ-GFCCVEGCSA-N 355.395 0.659 0 40 FCAB Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)cc1 528609706 KYMBDQKMXMSCJX-UHFFFAOYSA-N 351.472 0.721 0 40 FCAB Cn1cc(S(=O)(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)c(C(F)(F)F)n1 555351954 YIPNFLXLEKXWCW-KWQFWETISA-N 366.365 0.774 0 40 FCAB CC(C)CC(=O)N1CC2(C1)CN(C)[C@@H](C(=O)N(C)Cc1ccccn1)CO2 575406395 OHZBHXOPCWGWFX-QGZVFWFLSA-N 374.485 0.998 0 40 FCAB C[C@H](NC(=O)CCCNC(=O)c1cnccn1)c1nnc2ccccn12 604418571 XLPPKGGUHHNHOC-LBPRGKRZSA-N 353.386 0.907 0 40 FCAB CCc1nn(C)c(CC)c1CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C 644400105 CCZFTWNNTKVRNZ-GFCCVEGCSA-N 356.492 0.280 0 40 FCAB O=C([C@H]1[C@H]2COC[C@H]21)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1 1565542911 FMHZESFRPSHALD-FQLMCAECSA-N 360.414 0.106 0 40 FCAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(C(=O)c3ccco3)CC2)[nH]1 2055713296 VXKNBPFKPLBQSF-UHFFFAOYSA-N 368.397 0.902 0 40 FCAB O=C(c1cc(O)ncn1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055781534 MFSOAGQCZUDLLR-UHFFFAOYSA-N 370.413 0.536 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC2(CC1)C(=O)N[C@@H]2c1ccccc1 2055795812 BMLXIUVKUUDBNY-OAHLLOKOSA-N 350.440 0.901 0 40 FCAB CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)O 3280846 XDZCJZJVUIMYOF-CQSZACIVSA-N 370.427 0.547 0 40 FCAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 5428140 OCWQLTDHUPNIFV-ZETCQYMHSA-N 364.326 0.684 0 40 FCAB COC(=O)c1cc(NC(=O)CSc2nnnn2C)cc(C(=O)OC)c1 9440742 TVSIHVMANRMVJT-UHFFFAOYSA-N 365.371 0.514 0 40 FCAB O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCC(=O)c1cccs1 10042447 DDOTURCDNINPPF-UHFFFAOYSA-N 374.418 0.949 0 40 FCAB COc1ccccc1CN(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 12560192 JXEQSABOXBBSEC-UHFFFAOYSA-N 371.397 0.101 0 40 FCAB Nc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)n1C1CC1 12847591 NNSOPRIXVXGBEJ-UHFFFAOYSA-N 358.354 0.337 0 40 FCAB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccon2)c2cccn2C)CC1 21156746 FIXUZXPOTCCAHN-CQSZACIVSA-N 360.418 0.057 0 40 FCAB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)c1 32912519 AHTZJRZLXSMGQH-WCQYABFASA-N 367.379 0.410 0 40 FCAB O=C(O)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058362 GUWSKPVCDURTIF-CYBMUJFWSA-N 358.391 0.960 0 40 FCAB CCOc1ncccc1NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 48200941 QFFGHYUDLOEFNY-NSHDSACASA-N 370.431 0.295 0 40 FCAB Cc1nc(N2CCCC[C@@H]2CCNS(C)(=O)=O)c2cnn(C)c2n1 75103478 QPTVIEJGRLXDPU-GFCCVEGCSA-N 352.464 0.970 0 40 FCAB Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCCCO3)c1 75110455 NNGQVEXFXIGIDU-UHFFFAOYSA-N 366.399 0.498 0 40 FCAB O=C(Cn1ccc2c(nnc3ccnn32)c1=O)NCCc1nccs1 79464761 ULYQOKJBERSIDX-UHFFFAOYSA-N 355.383 0.255 0 40 FCAB CN1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 95999788 ILBFIROBFYCYNF-MRXNPFEDSA-N 351.472 0.868 0 40 FCAB COc1cc(N2C[C@@H]3COC[C@]3(CC(=O)N3CC(F)(F)C3)C2)ncn1 96217709 AFOCVBXFDVCUSN-ABAIWWIYSA-N 354.357 0.806 0 40 FCAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CCCC4)C3)C2=O)o1 225397343 LMWOBZJSGMHJFQ-WBVHZDCISA-N 373.453 0.889 0 40 FCAB biogenic,in-vitro O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCn2c(nnc2C2CC2)C1 247728036 DUJVOKXZZZXMHF-YXAMBPQSSA-N 369.425 0.529 0 40 FCAB COc1ccccc1CN1C[C@@H](O)[C@](O)(CNC(=O)c2ccccn2)C1 257291006 QFEVVKJATSJVSF-MJGOQNOKSA-N 357.410 0.428 0 40 FCAB C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)c1ncnn1C 274261612 YLULLUGHFXDUAW-CMPLNLGQSA-N 350.400 0.617 0 40 FCAB Cc1nnc([C@@H]2CN(C)C(=O)[C@H]3CCN(C(=O)[C@H]4[C@H]5COC[C@H]54)CC[C@H]32)o1 1565546428 AXKYWJZLLPRFTA-GTDBDLECSA-N 374.441 0.681 0 40 FCAB O=C(C[C@@H]1CO[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]12)NCC1CC1 1565547023 MFPJQUJYCPHZPL-BZUAXINKSA-N 359.426 0.238 0 40 FCAB O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 811837 FVVYZMDFWGJMIF-UHFFFAOYSA-N 373.500 0.724 0 40 FCAB CNc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N)[C@H]3SC2)s1 3151496 SMMCOWGSFHSCMY-SVGQVSJJSA-N 359.458 0.253 0 40 FCAB biogenic CS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCNC2=O)ccc1Cl 8761890 KNEXMSSTDFLWPX-UHFFFAOYSA-N 360.775 0.452 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(Cl)c1N1CCOCC1 9906995 DONKPZRGXNBYOY-UHFFFAOYSA-N 364.789 0.665 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)[C@H]2CC=CCC2)cc1 10850726 VMKFQTNEMYECGG-ZDUSSCGKSA-N 352.412 0.850 0 40 FCAB CN(CC(=O)Nc1ccccc1Cl)Cc1cc(=O)n(C)c(=O)n1C 11291859 PXNXPYMLSGQFKP-UHFFFAOYSA-N 350.806 0.808 0 40 FCAB C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccncc1 12324344 FCRXTJDWROPYRG-LBPRGKRZSA-N 365.393 0.682 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)OCCOc1ccc(S(N)(=O)=O)cc1 21583326 YRXQUYOHGMVCDT-UHFFFAOYSA-N 367.427 0.849 0 40 FCAB CC(C)C(=O)N1CCC(NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 25289242 KDYPLFODPVZLTB-UHFFFAOYSA-N 359.492 0.421 0 40 FCAB Cn1c(=O)c2c(nc(Cl)n2Cc2nc(C(C)(C)C)no2)n(C)c1=O 32760653 XFUDRPNCQBFFIC-UHFFFAOYSA-N 352.782 0.816 0 40 FCAB O=C(CN1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1)NC1CC1 32934601 AVJFTQWMWPLRIA-UHFFFAOYSA-N 373.425 0.986 0 40 FCAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)nc2)C1 42497606 JPULAWIQVRCVJE-OAHLLOKOSA-N 366.487 0.970 0 40 FCAB COc1ccc(OCc2cn(CC(=O)N3CCN(C(C)=O)CC3)nn2)cc1 227167763 LNYVUSYLXZENBU-UHFFFAOYSA-N 373.413 0.556 0 40 FCAB COCC(=O)N1CC[C@@]2(NC(C)=O)CN(C(C)=O)[C@H](c3ccccc3)[C@H]2C1 257232276 GKDKHISZTOIGQX-MISYRCLQSA-N 373.453 0.960 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cnn(C)c2)CCN1CCc1ccccc1 257246031 ISCYGTPKWJYXHI-KRWDZBQOSA-N 355.442 0.535 0 40 FCAB CN(C(=O)Cn1cnc2ccccc21)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257330767 XPWLUBMWCMGIPO-ZHALLVOQSA-N 358.442 0.719 0 40 FCAB CCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1NC(C)=O 408592279 JSSQNHYCRVBTGT-UHFFFAOYSA-N 371.459 0.654 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3nccnc3n2)cc1 507891285 IEIWWEYDVYJWFG-UHFFFAOYSA-N 357.395 0.645 0 40 FCAB O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@H]1C[C@H]1C(=O)O 562406035 IFWDJUICHHGPJK-LSDHHAIUSA-N 366.439 0.949 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@H](CCNC(=O)c2cnccn2)C1 585112873 XLOLLFXUBYFJEH-GFCCVEGCSA-N 364.431 0.200 0 40 FCAB OC1(CN2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CCOCC1 585284098 UZTYBQHMVPGUQI-GOSISDBHSA-N 373.396 0.948 0 40 FCAB O=C(c1cccc2ncccc12)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 585288320 VELHSFBBWBGBKR-KURKYZTESA-N 357.410 0.113 0 40 FCAB O=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CCOCCN1 615487385 DBBCDQONUSUWHE-UHFFFAOYSA-N 353.444 0.885 0 40 FCAB CS(=O)(=O)c1ccc(N2CCO[C@@H](C(=O)N3CCSCC3)C2)cc1 1888864461 XZNQTCNPLDXCQP-OAHLLOKOSA-N 370.496 0.871 0 40 FCAB COc1cc([C@@H](O)[C@]2(c3ccc(O)c(OC)c3)NC(=O)NC2=O)ccc1O 1681736 DPSIXARYQVDMII-QAPCUYQASA-N 374.349 0.883 0 40 FCAB Nc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(N)cc2)cc1 1689576 ZNHIBSJSLHQKBM-UHFFFAOYSA-N 370.456 0.108 0 40 FCAB COc1ccc2c(c1)[nH]c1c(=O)n(CCCN(CCO)CCO)cnc12 2221611 WZZUXEFZBAIHJC-UHFFFAOYSA-N 360.414 0.563 0 40 FCAB O=C1CCC(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)=NN1 6552647 PPHGDPSZLXRXLW-UHFFFAOYSA-N 358.354 0.327 0 40 FCAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NCCCn1ccnc1 9059617 DUSNXMJCTQXKRW-UHFFFAOYSA-N 355.398 0.873 0 40 FCAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cc(=O)n(C)c(=O)n3C)C2=O)cc1 10499650 FQASJRSDDWYOGD-GOSISDBHSA-N 356.382 0.360 0 40 FCAB COc1ccc(Br)cc1CN(C)c1nn(C)c(=O)n(C)c1=O 12796858 DGZNTWDYBXRXID-UHFFFAOYSA-N 369.219 0.887 0 40 FCAB CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1 13077211 PULWISXYGCTQEK-UHFFFAOYSA-N 365.205 0.514 0 40 FCAB Cn1c(N2CCOCC2)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 13739075 FMEIAIYCWHSWTK-UHFFFAOYSA-N 373.388 0.458 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC(C)C)cc1 19797304 CXWWTMRWDVFZCH-GJZGRUSLSA-N 374.484 0.582 0 40 FCAB CN(Cc1ccsc1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23957569 LJTHAUJPSRTWDP-LBPRGKRZSA-N 369.468 0.872 0 40 FCAB Cn1ccs/c1=N\C(=O)CCNC1=NS(=O)(=O)c2ccccc21 30992336 KPPBJFUVVPYKFT-PEZBUJJGSA-N 350.425 0.643 0 40 FCAB O=C(Cn1c(=O)ncc2c1cnn2[C@H]1CCS(=O)(=O)C1)c1ccccc1 32616634 CCYFQGYQYXTNKQ-ZDUSSCGKSA-N 372.406 0.836 0 40 FCAB Cc1ccc(SCCNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 33330755 IYBGOBCEEHZNLD-UHFFFAOYSA-N 355.441 0.751 0 40 FCAB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NC)nc(C(C)C)nc21 36803410 PXPSVXAMRVGHPM-UHFFFAOYSA-N 365.459 0.862 0 40 FCAB Nc1nc(Cl)cc(N2CCC(C(=O)NCCN3CCOCC3)CC2)n1 40067556 UBHOKYBSTWJMPZ-UHFFFAOYSA-N 368.869 0.377 0 40 FCAB Cc1ccc(-n2nnnc2NCCS(=O)(=O)N2CCOCC2)cc1 52088853 HUGFTQLEQSDKAL-UHFFFAOYSA-N 352.420 0.045 0 40 FCAB CN1C(=O)N(CC(=O)N[C@@H](C(N)=O)c2ccccc2)C(=O)C12CCCCC2 54703415 XIXQENAWEUFATB-OAHLLOKOSA-N 372.425 0.926 0 40 FCAB Cc1cc(NC(=O)CN2CCN(C(=O)c3c(C)nn(C)c3C)CC2)no1 58225228 GDNAPSOEQXEOKT-UHFFFAOYSA-N 360.418 0.730 0 40 FCAB CN(C)c1ncc(CN2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)cn1 72335544 XDWBYROJOQIKMW-UHFFFAOYSA-N 355.446 0.784 0 40 FCAB CCN(CC)S(=O)(=O)N1CCC(c2nnc3n2CCN(C)C3)CC1 72372079 KGASZHZMPSWNOV-UHFFFAOYSA-N 356.496 0.490 0 40 FCAB COC(=O)CCN1CCN(C(=O)c2cc(C)nc3c2cnn3C)C[C@H]1C 95993461 UGWIEQLSJZCXKV-CYBMUJFWSA-N 359.430 0.986 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@]2(CNC(=O)C2)C1 96143290 KGNZRVKTVGRUTJ-MRXNPFEDSA-N 351.428 0.046 0 40 FCAB O=C(O)/C=C(/C(=O)O)[C@@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@@H]1[C@@H]5[C@@H]4C[C@@H]32 100136506 LBAWZETUMGOMOM-OTMGWVGASA-N 374.393 0.006 0 40 FCAB in-vitro COc1cccc(-n2cnnc2SCc2cc(=O)n3nc(N)[nH]c3n2)c1 103936831 ZWVURXAGMMDTQN-UHFFFAOYSA-N 370.398 0.881 0 40 FCAB O=C(O)c1nc2cn1/C=C/C=N/CC1=CN3C=CC=N[C@]3(C(=O)O)N1C2 104202782 FNQNTCHQOZUQHN-IDLBFEJNSA-N 354.326 0.432 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 257213238 CGSQXDSPWKUVOQ-GFCCVEGCSA-N 350.448 0.928 0 40 FCAB Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1Cc1ccc(F)cc1 331437342 NAJLFOGHUSCZMM-CYBMUJFWSA-N 352.391 0.691 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H]2C=CS(=O)(=O)C2)cc1NC(C)=O 575426193 OGIKWOYJQVSAGK-JTQLQIEISA-N 360.413 0.243 0 40 FCAB COc1ccc(S(=O)(=O)NCCN[C@@]2(C)CCS(=O)(=O)C2)cc1 575426426 SVEJPBNPTQWPQX-AWEZNQCLSA-N 362.473 0.140 0 40 FCAB Cn1nnc(-c2ccc(OCC(=O)N[C@@H](CO)Cc3ccccc3)cc2)n1 575443258 IDAZLZGLUVWJNO-MRXNPFEDSA-N 367.409 0.976 0 40 FCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1cc(F)cc(F)c1F 626571641 GNYGZIKPIWOQIM-VIFPVBQESA-N 367.349 0.886 0 40 FCAB Cn1c2c(c(=O)n(C)c1=O)C[C@]1(CCCN(Cc3cscn3)CC1)O2 643914962 ZUSMWKLRHPPMII-QGZVFWFLSA-N 362.455 0.900 0 40 FCAB O=S(=O)(c1ncccc1Br)N1CC(N2CC[C@@H](O)C2)C1 657023659 UIJUASMBBVAQEU-SNVBAGLBSA-N 362.249 0.284 0 40 FCAB Cc1noc(CC(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)n1 1565556471 JQHJMBYVCOWFDX-UHFFFAOYSA-N 361.402 0.727 0 40 FCAB CCc1cnc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)nc1 1888857094 KWZUBUGHZIDBJS-UHFFFAOYSA-N 355.446 0.992 0 40 FCAB Cn1cnc2c(N3C[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4C3)ncnc21 1888909646 UXZAAVMNVXHKFG-KBPBESRZSA-N 362.393 0.985 0 40 FCAB CCCS(=O)(=O)N1CCC[C@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771577 JTHINPDNPZJCCK-INIZCTEOSA-N 354.476 0.940 0 40 FCAB CC(C)[C@@H](N)C(=O)N[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C 1689688 OJKHWKUUKANMMH-ZIAGYGMSSA-N 370.475 0.397 0 40 FCAB COc1ccc(N2CCn3c2nnc(C(=O)NCCCN(C)C)c3=O)cc1 12233889 MUUUCGZNZUHFCY-UHFFFAOYSA-N 372.429 0.480 0 40 FCAB CCCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 14138824 CZJQAXSQQWOQRI-UHFFFAOYSA-N 361.414 0.797 0 40 FCAB CC(C)(C)C(=O)NCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 22285625 YYMDXCVVWUHVLA-UHFFFAOYSA-N 374.485 0.609 0 40 FCAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N[C@@]1(C)CCS(=O)(=O)C1)C2=O 22550133 QBUHAOAUOZETSU-KRWDZBQOSA-N 364.423 0.675 0 40 FCAB O=S1(=O)CC[C@H](N2CCN(Cc3nnc(-c4ccco4)o3)CC2)C1 23289804 UHGYPVKPKKPOQU-LBPRGKRZSA-N 352.416 0.634 0 40 FCAB CN(Cc1ccsc1)C(=O)CS(=O)(=O)Cc1nnnn1C1CC1 40106229 ULIRPBNQPNWKCP-UHFFFAOYSA-N 355.445 0.643 0 40 FCAB CCN1CCN(CC(=O)N2CCN(C)C[C@H]2c2ccccc2)C(=O)C1=O 48273082 UCECEDCVNHNUIK-INIZCTEOSA-N 358.442 0.192 0 40 FCAB CONS(=O)(=O)c1ccc(C(=O)NCCNc2cnccn2)cc1 48278579 WOERNRWTVUKHHF-UHFFFAOYSA-N 351.388 0.158 0 40 FCAB O=C(COc1ccccc1)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 58202923 ADGZUSWITUDAPV-UHFFFAOYSA-N 368.349 0.762 0 40 FCAB CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)CC1 66311471 NLPDTHWSSZAUJV-UKRRQHHQSA-N 362.492 0.891 0 40 FCAB O=C(Cn1nc2c(cc1=O)CSCC2)N[C@@H](C(=O)O)c1ccccc1 71280064 HGUBGHVXJHYCLC-MRXNPFEDSA-N 359.407 0.975 0 40 FCAB CCCC[C@@H](C(=O)N1CCC(NC(N)=O)CC1)N1CCCS1(=O)=O 89950154 IHIJANXZFDPIIC-ZDUSSCGKSA-N 360.480 0.240 0 40 FCAB O=C(NCc1ccccn1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96105205 MAGRMYDSHSYJDD-UHFFFAOYSA-N 364.413 0.985 0 40 FCAB O=C(c1ccncc1)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1 96220649 PPXFSLQTKHBDIE-HNNXBMFYSA-N 355.398 0.922 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](Oc3cccnn3)C2)CC1 225412848 WZNRQWHXZWMOHY-CYBMUJFWSA-N 354.432 0.128 0 40 FCAB CC[C@H](CN1CCN(C)CC1)NC(=O)CC1=NNC(=O)[C@H]2C=CC=C[C@@H]12 248029465 KTADHUSRTUUTIQ-OAGGEKHMSA-N 359.474 0.363 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2nccnc2-c2cnn(C)c2)C1 257228879 FVRILDWUHYTSNZ-ZDUSSCGKSA-N 364.475 0.938 0 40 FCAB CC(=O)NCc1cn(-c2ccccc2C(=O)N2CCC[C@H](C(N)=O)C2)cn1 257252480 JUYTVMUZBIATOX-AWEZNQCLSA-N 369.425 0.846 0 40 FCAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 306132676 LPDLNRFNMRMTJD-JHJVBQTASA-N 351.428 0.527 0 40 FCAB O=S(=O)(N[C@H]1CO[C@@H](CN2CCC(F)(F)C2)[C@@H]1O)c1cccs1 514288959 LIQVBBNMUSHNGH-JBLDHEPKSA-N 368.427 0.496 0 40 FCAB biogenic,in-vitro CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(Cn2ccnn2)cc1 585123791 QEYPQWFARBPSOA-GOSISDBHSA-N 357.414 0.694 0 40 FCAB O=C(CN1C(=O)c2ccccc2C1=O)NC[C@H]1CCCN1c1ncccn1 618256548 JTQUDPNPTQEONF-CYBMUJFWSA-N 365.393 0.858 0 40 FCAB CCn1nccc1N1CCC[C@H](NC(=O)c2ccc(C(=O)O)cn2)C1=O 952876032 MHYMNZGKTNDEAN-ZDUSSCGKSA-N 357.370 0.922 0 40 FCAB Cc1ccc(CC(=O)N2CCO[C@@]3(COCC(=O)N(C(C)C)C3)C2)cn1 2037985756 VHVOGECSHYYNOX-IBGZPJMESA-N 361.442 0.797 0 40 FCAB CCS(=O)(=O)N1CCC(N=c2ccn(C)[nH]2)(C(=O)N2CCCC2)CC1 2055746056 GAWCPDDAGKHDAB-UHFFFAOYSA-N 369.491 0.061 0 40 FCAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)c2c(C)noc2C)CC1 2055746528 VGDMUMZHQWMSPK-UHFFFAOYSA-N 360.418 0.858 0 40 FCAB Cc1cnn(CCN2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 2086884343 DZPXAYUJJXGGOL-UHFFFAOYSA-N 371.489 0.949 0 40 FCAB Cn1ncc2c(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)ncnc21 2086884498 APRBCDOERDSSLZ-GFCCVEGCSA-N 366.372 0.826 0 40 FCAB NC(=O)COC(=O)c1ccc(-c2ccc(C(=O)OCC(N)=O)s2)s1 3381296 QJVJHLJRNBCIIC-UHFFFAOYSA-N 368.392 0.761 0 40 FCAB COCCn1c(CN2C[C@@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4384194 ULDQRFGQGNQPTH-BETUJISGSA-N 363.462 0.558 0 40 FCAB O=C(NC1CCCCC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 8298857 BRVWAFDZANYSSS-QGTPRVQTSA-N 361.490 0.972 0 40 FCAB biogenic,in-vitro CCSc1nnc(NC(=O)Cn2cnc3c(cnn3C)c2=O)s1 11429426 PVBFDYBFMFBYCV-UHFFFAOYSA-N 351.417 0.732 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)[C@@H](C)O)cc1 14113939 PUNTWIZGFFIQQM-BXUZGUMPSA-N 372.443 0.369 0 40 FCAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCNC1=O 24002195 AYDSDGXMUILGCK-UHFFFAOYSA-N 357.336 0.774 0 40 FCAB CS(=O)(=O)N1CCCN(Cc2nnnn2Cc2ccccc2)CC1 24926099 SRWIXKJKPZHVHW-UHFFFAOYSA-N 350.448 0.189 0 40 FCAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccncc2)CC(O)=N3)CC1 61720490 DHQKHKPFXDVMOG-GFCCVEGCSA-N 368.397 0.990 0 40 FCAB O=C1CCC(=O)N1CCN1CCN(c2ncc(Br)cn2)CC1 72270842 BUAJDGFTFUCEAI-UHFFFAOYSA-N 368.235 0.510 0 40 FCAB CCCCCCn1cc(S(=O)(=O)Nc2cc(C)nn2C)c(=O)[nH]c1=O 95430565 YHBGNWIEZWYNCB-UHFFFAOYSA-N 369.447 0.960 0 40 FCAB CCc1ccc(CN2C[C@@H]3C[C@H](C(=O)NC)N(S(C)(=O)=O)[C@@H]3C2)o1 96182830 ALUNAKPTNGWDIY-NILFDRSVSA-N 355.460 0.422 0 40 FCAB CN(C)C(=O)N1CCC[C@@]2(CCN(S(=O)(=O)c3cn(C)cn3)C2)C1 96215552 WDDBNTWKZIWANX-OAHLLOKOSA-N 355.464 0.578 0 40 FCAB COc1ccc(CCN2C[C@H](C(=O)NCC(=O)O)CC2=O)cc1OC 96595612 YIXQZYWHABMQPA-GFCCVEGCSA-N 350.371 0.296 0 40 FCAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)cnc1N 97020805 ADVWELFHJGMYHG-VIFPVBQESA-N 372.838 0.869 0 40 FCAB Cn1c(CN2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)nc2ccccc21 257214005 CKBQHOYMLJNBLH-GDBMZVCRSA-N 352.398 0.338 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2cncc(-c3cnn(C)c3)n2)CC1 257292547 QMAYPEQORWOQOB-UHFFFAOYSA-N 350.448 0.863 0 40 FCAB Cc1cc2ncc(C(=O)NC[C@@H]3CC[C@H](CC(=O)N(C)C)N3C)c(N)n2n1 257329084 XIIGUHKECPBAQX-OLZOCXBDSA-N 373.461 0.291 0 40 FCAB CNC(=O)c1cnn2c(C3CCN(CC4(O)CCOCC4)CC3)ccnc12 257337597 YTMDYCXEBADOOO-UHFFFAOYSA-N 373.457 0.810 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)N1Cc2ccnn2C[C@H](CN(C)C)C1 306133932 MZQJUXSGQNJBQG-CQSZACIVSA-N 366.491 0.616 0 40 FCAB CCS(=O)(=O)CC(=O)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 547694958 ZATGEGNUZKQQST-RYUDHWBXSA-N 373.454 0.010 0 40 FCAB C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)n1nc2c(cc1=O)CCC2 575621614 ZRUGCSTVPAPRDS-ZDUSSCGKSA-N 370.409 0.871 0 40 FCAB Cn1ncc2c(O)nc(N3CCN(c4ncc(C(=O)O)s4)CC3)nc21 576758370 OLDBUYSSQRCOSU-UHFFFAOYSA-N 361.387 0.550 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1ccc(N(C)C)nc1 643704423 RNISHEDIZBNKFE-HNNXBMFYSA-N 356.448 0.063 0 40 FCAB O=C(CCc1ccc[nH]1)N1CCO[C@@]2(COCCN(c3cnccn3)C2)C1 1565556505 LCVYWENJKNSOES-LJQANCHMSA-N 371.441 0.872 0 40 FCAB COCCNC(=O)Cn1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O 4341807 PCUAHFJIJFGAHA-UHFFFAOYSA-N 362.777 0.393 0 40 FCAB CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(C)cc1 5001065 CLDNZNJNZWLOGR-UHFFFAOYSA-N 367.471 0.730 0 40 FCAB COc1cccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1O 5972804 XAAOGMLJMFLMOF-JTQLQIEISA-N 357.384 0.203 0 40 FCAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(-n3cnnn3)cc2)C1=O 6603028 OGHOETLSYBYLTM-UHFFFAOYSA-N 357.374 0.711 0 40 FCAB CN(C)CCn1c(=O)n(CC(=O)O)c(=O)c2c3c(sc21)CCCC3 6756558 JESRXGRUTONLEM-UHFFFAOYSA-N 351.428 0.750 0 40 FCAB CCCCn1c(N)c(N(C)C(=O)[C@H]2COc3ccccc3O2)c(=O)[nH]c1=O 7799712 IJPQQTAKSBMHPO-CYBMUJFWSA-N 374.397 0.722 0 40 FCAB CN1C(=O)NC2(CCN(CC(=O)N3CCCc4ccccc43)CC2)C1=O 8769229 GFRFDJGVYTVUBD-UHFFFAOYSA-N 356.426 0.982 0 40 FCAB CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 14232472 IVAZBZZPHQVPBC-UHFFFAOYSA-N 355.460 0.918 0 40 FCAB CCOc1ccccc1-n1nnnc1SCC(=O)N1CCN(C)CC1 20142515 FLPQMCIUYOCNLU-UHFFFAOYSA-N 362.459 0.927 0 40 FCAB COC(=O)[C@]1(CCSC)N[C@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 20150436 WDARWSXAQTXDTN-AZKPJATDSA-N 352.412 0.820 0 40 FCAB CN(Cc1ccccc1)[C@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC1CCOCC1 20465964 OTTACDKEHLVOAI-FCGDIQPGSA-N 350.459 0.376 0 40 FCAB biogenic,in-vitro CC(=O)Nc1nc(COC(=O)CCN2C(=O)NC(C)(C)C2=O)cs1 24871403 LJRXRRFFYPWIFJ-UHFFFAOYSA-N 354.388 0.865 0 40 FCAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)CC1 32089211 CGTIBPDAWNWXPQ-AWEZNQCLSA-N 369.443 0.058 0 40 FCAB O=C([C@@H]1C[C@@H](O)CN1)N1CCN(c2ccc(Br)cn2)CC1 37811366 NBGNNFODCUEHKE-NEPJUHHUSA-N 355.236 0.216 0 40 FCAB COC(=O)N1CCC(NC(=O)CCNS(=O)(=O)c2ccccc2)CC1 57445104 WPJBGDKMVKRVMZ-UHFFFAOYSA-N 369.443 0.702 0 40 FCAB O=S(=O)(NC[C@@H](O)CN1CCOCC1)c1cc(Cl)ccc1Cl 97008267 FMVBLZMHBCSJTN-LLVKDONJSA-N 369.270 0.965 0 40 FCAB COc1ccc(N2C(=O)C[C@@H](SC[C@@H](N)C(=O)O)C2=O)c(OC)c1 101273526 DLULGAGNMZEQBH-BXKDBHETSA-N 354.384 0.481 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)c3cn(C)c4ccccc34)C2)CN1C 247720829 APDNLGNBGUUNJL-MRXNPFEDSA-N 356.426 0.450 0 40 FCAB O=C(C1CC1)N1CC[C@@]2(Cc3nn(Cc4ccccc4)c(=O)c(=O)n3C2)C1 306128951 HPALOBSZMVNIOR-HXUWFJFHSA-N 366.421 0.638 0 40 FCAB Cc1ccnc(-n2nccc2NC(=O)C(=O)N(C)CCN2CCCC2=O)c1 575239299 AIYCUAJBTPCLAZ-UHFFFAOYSA-N 370.413 0.595 0 40 FCAB CC(C)C(=O)N1CC2(C1)CN(C)[C@@H](C(=O)N(C)Cc1ccccn1)CO2 575406577 YMOCLYIOBPVHSJ-MRXNPFEDSA-N 360.458 0.608 0 40 FCAB CCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOCC(=O)N(C)C 585105405 WBJICAIJOANVEO-CQSZACIVSA-N 362.492 0.702 0 40 FCAB Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCc2c(cccc2C(N)=O)C1 620891308 DLOYGCJMDFRRDV-UHFFFAOYSA-N 363.395 0.533 0 40 FCAB CN(C)C(=O)[C@@H]1CC(=O)N(C2CN(Cc3ccc4c(c3)nnn4C)C2)C1 685940581 DEBXZEUXQMUIIE-CYBMUJFWSA-N 356.430 0.089 0 40 FCAB CC(C)NC(=O)c1n[nH]c2c1C[C@H](CNC(=O)CN(C)C(C)C)OC2 1565546956 CFZPEEZOEPYSJV-GFCCVEGCSA-N 351.451 0.446 0 40 FCAB COCCn1cnc2c(N3C[C@@H]4CN(c5cnccn5)C[C@@H]4C3)ncnc21 1888906242 SAVQGWCBZXZIKK-OKILXGFUSA-N 366.429 0.835 0 40 FCAB CN(C)S(=O)(=O)N1C[C@@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 2055746099 KBXYMRMZUPJWEK-IACUBPJLSA-N 354.432 0.306 0 40 FCAB CCN(C)C[C@H]1COC2(CN(C(=O)Cc3ccccc3)C2)CS1(=O)=O 2332243014 CABZEUOEADFBQI-INIZCTEOSA-N 366.483 0.575 0 40 FCAB O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCS(=O)(=O)C1 4392091 WWHNTHDHMVSTJD-LLVKDONJSA-N 350.396 0.366 0 40 FCAB COC(=O)CO[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(C(C)(C)C)n3)CO[C@H]12 5433645 PRFYPRWGSBEHRQ-RBDSIQFVSA-N 351.403 0.910 0 40 FCAB biogenic,in-vitro CN(C(=O)CSc1nnc(C(F)(F)F)n1C)[C@H]1CCS(=O)(=O)C1 7198200 UVKQMBLBDWIYJR-ZETCQYMHSA-N 372.394 0.572 0 40 FCAB CC(C)CN(C(=O)CSc1nnc(N)s1)[C@H]1CCS(=O)(=O)C1 7535916 ISJCQVKVKDDRJF-VIFPVBQESA-N 364.518 0.884 0 40 FCAB COC(=O)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 9724670 QYEIBPBANAZTQZ-LLVKDONJSA-N 372.418 0.904 0 40 FCAB Cc1noc(C)c1Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21 12785773 GXQFZEXNDVRBTC-UHFFFAOYSA-N 368.191 0.849 0 40 FCAB CC(C)[C@H]1NC(=O)[C@H]2CN(C(=O)c3cc(F)cc(F)c3)CCN2C1=O 14532813 YHBIRUQMNNBJNF-ZIAGYGMSSA-N 351.353 0.772 0 40 FCAB Cn1c(=O)c2nc(SCC(=O)Nc3nccs3)n(C)c2n(C)c1=O 15882259 CAYGVBKDRVQTEV-UHFFFAOYSA-N 366.428 0.158 0 40 FCAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCn1nnc2ccccc2c1=O 16046010 OXRZGABAKIHLKZ-RYUDHWBXSA-N 368.349 0.243 0 40 FCAB Cc1ccccc1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O 20567885 ODHNZNAODLYGOF-UHFFFAOYSA-N 355.460 0.209 0 40 FCAB CN(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCOCC2)cn1 25118437 YXTRQFUEQSWCPE-CYBMUJFWSA-N 350.444 0.522 0 40 FCAB CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccccc1 36360893 VYSQOXISXMOYFX-CABCVRRESA-N 367.471 0.814 0 40 FCAB Cc1cc(C)cc(OC[C@@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 55379756 JRPUZQOCMSTFTN-ZDUSSCGKSA-N 358.398 0.490 0 40 FCAB COCCOC[C@@H](C)NC(=O)Cc1csc(N2CCCNC2=O)n1 72296751 XUJIJQMTKZGNPP-LLVKDONJSA-N 356.448 0.773 0 40 FCAB CSCC[C@@](C)(O)CNC(=O)C(=O)NCc1ccc2c(c1)OCO2 75157645 NNEJTRAOIVSYRN-MRXNPFEDSA-N 354.428 0.652 0 40 FCAB Cc1nc2c(c(C)c1CNC(=O)COc1c(C)nn(C)c1C)c(=O)[nH]n2C 79101805 LTSRMALFOHEEFW-UHFFFAOYSA-N 372.429 0.924 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2N)CC1 94043780 MLGGEWPEPQQPAJ-UHFFFAOYSA-N 362.249 0.749 0 40 FCAB NC(=O)N1CCC2(CC1)C[C@H](C(=O)N1CCNC(=O)C1)Oc1ccccc12 96080205 HUNCIVOVJDVZOC-OAHLLOKOSA-N 372.425 0.208 0 40 FCAB Cn1cc(CN2CC[C@@]3(C[C@H](NS(=O)(=O)C4CC4)CCO3)C2)cn1 96107917 JCBKWLMQVGUSJG-GDBMZVCRSA-N 354.476 0.625 0 40 FCAB O=C(c1cnccn1)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1ccccn1 96217790 MSXRBTUCAWHMGW-FZKQIMNGSA-N 353.382 0.529 0 40 FCAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1c[nH]cn1 96221064 HVIRJZOCSQCHLZ-HNNXBMFYSA-N 355.398 0.969 0 40 FCAB biogenic CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cc1 97012934 VXRWTPPTLQPBNI-OAHLLOKOSA-N 364.427 0.542 0 40 FCAB CC(C)OCCCNc1ccc(S(=O)(=O)NCCO)cc1C(=O)O 217591433 HCCDVXLMMWZBFU-UHFFFAOYSA-N 360.432 0.882 0 40 FCAB C[C@@H](C(=O)NCCN1CCOCC1)N(c1ccccc1F)S(C)(=O)=O 220311314 KWBMWEZMEMDGKZ-ZDUSSCGKSA-N 373.450 0.429 0 40 FCAB CN1C[C@H](C(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)CC1=O 220875293 XSYIFUUHYUHTSK-CHWSQXEVSA-N 370.413 0.786 0 40 FCAB O=C(c1ccco1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 247801460 GCWDGJLCQNTLBG-GFCCVEGCSA-N 363.395 0.778 0 40 FCAB CN(C)C(=O)[C@@H]1COC2(CN(Cc3nccs3)C2)CN1CC1CC1 248004555 OHCJAAPHBVSCQV-AWEZNQCLSA-N 350.488 0.897 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 248239658 NWFXSQZYYDXSSS-JQZVDIJISA-N 370.409 0.083 0 40 FCAB CC(=O)NCc1cn(-c2ccccc2C(=O)N2CCC(C(N)=O)CC2)cn1 257249405 JIEAZULAVOXZAR-UHFFFAOYSA-N 369.425 0.846 0 40 FCAB CC(C)NC(=O)c1c2c(nn1C)CO[C@@H](CNC(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565543924 ACWWNQXDUTXFLA-PBOSXPJTSA-N 362.430 0.008 0 40 FCAB Cc1ncnc(N2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1F 1776009769 PTZOKJVZMLTWCJ-UHFFFAOYSA-N 354.411 0.775 0 40 FCAB O=C(CCc1ccc[nH]1)N1CCO[C@]2(COCCN(c3cnccn3)C2)C1 2055815416 LCVYWENJKNSOES-IBGZPJMESA-N 371.441 0.872 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2ccco2)cc1 2325816 BPEFSDCAMXPVPY-UHFFFAOYSA-N 353.425 0.774 0 40 FCAB COc1ccc2c(C)c(CC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)oc2c1 9183669 BYRSHFPATDWFKB-NSHDSACASA-N 365.407 0.956 0 40 FCAB CC1(C)NC(=O)N(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1=O 9365906 MOCPSWTWFKAAQA-GFCCVEGCSA-N 371.459 0.275 0 40 FCAB O=C(NCCCN1CCOCC1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 20621839 NRHWLHKAYWXSPF-CQSZACIVSA-N 373.461 0.408 0 40 FCAB O=C(CN1CCN(Cc2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 22918375 DKVCGZKWSRHEFU-MRXNPFEDSA-N 351.472 0.108 0 40 FCAB COC(=O)Cn1c(=O)n(-n2cnnc2)c(=O)c2c3c(sc21)CCCC3 32072256 SBXSXXDUZSHYEW-UHFFFAOYSA-N 361.383 0.179 0 40 FCAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(O)cc1 36354478 IINPCHNYZARNJI-JSGCOSHPSA-N 369.443 0.842 0 40 FCAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCC(=O)Nc1cn[nH]c1 51413187 BASUQVXUJJFBNZ-UHFFFAOYSA-N 367.369 0.161 0 40 FCAB Cn1cc(CCNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cn1 53970914 CRFPQDGZEFLWST-UHFFFAOYSA-N 354.407 0.587 0 40 FCAB COC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ncccn3)CC2)cc1 58392791 RDQKWBFOSPIIEH-MRXNPFEDSA-N 372.425 0.825 0 40 FCAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 58421546 HXDMVVOKWJJTBM-GJZGRUSLSA-N 368.441 0.965 0 40 FCAB O=c1[nH]c(CC2CC2)nc2c1CCN(Cc1cc3n(n1)CCCNC3)C2 72143138 KMSBVRKVWMAOJJ-UHFFFAOYSA-N 354.458 0.971 0 40 FCAB CN1CCO[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)C1 72311829 GFPABGSSTQWXKI-HNNXBMFYSA-N 369.443 0.446 0 40 FCAB Cc1nnc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)s1 72401083 VNMUJLMTBZDWIP-UHFFFAOYSA-N 366.399 0.649 0 40 FCAB COCCn1nc(C)c(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)c1C 84013936 ILVIQHUEHRUBNS-NSHDSACASA-N 351.451 0.684 0 40 FCAB CCOC(=O)N1CCC(NC(=O)Cn2cc(C(=O)O)ccc2=O)CC1 95470252 VVSWKMURGHVMHN-UHFFFAOYSA-N 351.359 0.284 0 40 FCAB COC1(CNC(=O)N2CCN(S(C)(=O)=O)C2=O)CCSCC1 225593846 CPIRZVQBNJYYGD-UHFFFAOYSA-N 351.450 0.305 0 40 FCAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@H](Oc2cnccn2)C1 225796153 QNMDSLWLOFIWCS-HIFRSBDPSA-N 360.414 0.484 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CCOc2ccccc2F)CCN1C(C)=O 257233398 GPCUWBKISKPXBJ-AWEZNQCLSA-N 351.378 0.400 0 40 FCAB CN1CCN([C@H]2CCN(C(=O)c3n[nH]c4ccccc34)CC[C@@H]2O)CC1 257238297 HKIYPBPDGBBKPA-IRXDYDNUSA-N 357.458 0.776 0 40 FCAB CN1CCN(C[C@]2(O)CCN(S(=O)(=O)Cc3ccccc3)C2)CC1 257257805 KREALTIPHHWOHM-QGZVFWFLSA-N 353.488 0.201 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2c[nH]nc2C)CCN1CCc1ccccc1 257330848 XQHCRUBHZOUNDU-KRWDZBQOSA-N 355.442 0.833 0 40 FCAB Cc1nccnc1CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 294615179 PSQWWHTZERWURG-HOTGVXAUSA-N 358.442 0.885 0 40 FCAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCO)c1 408710097 OOCVMXKSPLFCJV-UHFFFAOYSA-N 371.393 0.672 0 40 FCAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(COC(C)=O)O2)c1 409276995 YRLBKEPGXZZNSJ-GJRWTSMGSA-N 371.345 0.849 0 40 FCAB CCCCN1CCC[C@@]2(CC(C(=O)N[C@@H]3CCS(=O)(=O)C3)=NO2)C1 585101200 NBIKRANWWZCPTI-CZUORRHYSA-N 357.476 0.701 0 40 FCAB COCCN(C)S(=O)(=O)[C@H]1CCCN(c2ncccc2C(=O)O)C1 647453594 NCHJHXFTRPOUIU-LBPRGKRZSA-N 357.432 0.657 0 40 FCAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)Cn5cncn5)C[C@H]4C3)n1)CCC2 1888869988 IEIHCCPZRBDYTB-OKILXGFUSA-N 353.430 0.460 0 40 FCAB COC(=O)C12CCC(C(=O)OC)(CC1)n1c(=O)n(-c3ccccc3)c(=O)n12 1580544 LYVXNEVGRPCGGB-UHFFFAOYSA-N 373.365 0.125 0 40 FCAB COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)cc2N1 1607873 UOLOZKGRSLKSSH-UHFFFAOYSA-N 354.319 0.182 0 40 FCAB O=C([C@H]1CC2CCN1CC2)N1CCN(C(=O)[C@H]2CC3CCN2CC3)CC1 1610887 LMFLIIISBCCELP-QZTJIDSGSA-N 360.502 0.626 0 40 FCAB Cc1nn(C)c(C(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)c1Cl 2755200 PUDFLKRUHJQKOB-LPBBDHJYSA-N 372.834 0.627 0 40 FCAB COc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1OC 4337931 HVTGUMGQKNMKPI-UHFFFAOYSA-N 351.388 0.409 0 40 FCAB COC(=O)c1ccc2c(=O)n(CC(=O)N3CCOCC3)c(=S)[nH]c2c1 12415777 WARLCJJIEXUGFG-UHFFFAOYSA-N 363.395 0.704 0 40 FCAB NC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1 13239514 NGEWQLRFVYDOMQ-UHFFFAOYSA-N 364.335 0.983 0 40 FCAB CCn1nnc2c(N3CCN(CC(=O)NC4CCCC4)CC3)ncnc21 13534207 UYDZGFYFMOKRSP-UHFFFAOYSA-N 358.450 0.422 0 40 FCAB Cc1cc(C)n2nc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)nc2n1 14228520 IMQHRYGNUCMJGM-LLVKDONJSA-N 374.426 0.880 0 40 FCAB CNc1ncc(C(=O)N2CCCC[C@H]2CCNS(=O)(=O)N(C)C)cn1 19749020 VSJQZUSJMCDHEK-ZDUSSCGKSA-N 370.479 0.299 0 40 FCAB COc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1NC(C)=O 23409086 PJMYHAOPNWHANS-UHFFFAOYSA-N 371.459 0.654 0 40 FCAB CS(=O)(=O)N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 24508903 XRVVDDKXOUOUPU-INIZCTEOSA-N 351.472 0.927 0 40 FCAB Cn1c(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)cnc2n(C)c1=O 24834993 MQKMCEIROLZHDK-UHFFFAOYSA-N 368.349 0.291 0 40 FCAB COC(=O)c1ccccc1NC(=O)CN1CCCN(S(C)(=O)=O)CC1 24921795 FGJKIPKCSFESGH-UHFFFAOYSA-N 369.443 0.379 0 40 FCAB O=S(=O)(NCCCN1CCOCC1)c1ccc(-n2cccn2)cc1 36365141 VRFTUCLIHQIDEX-UHFFFAOYSA-N 350.444 0.873 0 40 FCAB O=C(c1cnn(-c2ccccc2)n1)N1CCN(S(=O)(=O)C2CC2)CC1 42383899 XUNOHALLRAEJRJ-UHFFFAOYSA-N 361.427 0.517 0 40 FCAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC(=O)Nc1cn[nH]c1 51414752 ZUGIRVXRCBCVMC-UHFFFAOYSA-N 352.354 0.388 0 40 FCAB CCCCNC(=O)[C@@H]1C[C@@H](c2cn(CC)nc2C)NS(=O)(=O)N1C 72335023 KIUKFGHKNBBYAF-KBPBESRZSA-N 357.480 0.707 0 40 FCAB COc1c(OCCCN2CCOCC2)ccc2c1N=C(N)N1CCN=C21 73069240 ZYVGMXTZLDVOIW-UHFFFAOYSA-N 359.430 0.818 0 40 FCAB CN(C)CCN1C[C@H](C(=O)N2CCCN(C3CCCC3)CC2)CC1=O 73880573 HXZOOYVSOKCXOG-MRXNPFEDSA-N 350.507 0.873 0 40 FCAB COC(=O)c1ccsc1N1CC[C@H](N2CC[C@H](S(N)(=O)=O)C2)C1=O 83897539 BURNBBHOPJRJAJ-ONGXEEELSA-N 373.456 0.003 0 40 FCAB Cc1cnc(C(=O)N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)cn1 96050370 DTVGKFATJZBVLE-SFHVURJKSA-N 369.429 0.082 0 40 FCAB COCC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 96145094 JLWUNVFQWJKGSD-UHFFFAOYSA-N 368.455 0.955 0 40 FCAB O=C(c1ccco1)N1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 96160712 DPSMUIYKWWVXMQ-KSSFIOAISA-N 359.382 0.927 0 40 FCAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)OC4)CCO2)cn1 97012562 SYRSFMGBPIQWMW-OAHLLOKOSA-N 363.395 0.853 0 40 FCAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2cnn(-c3ccccc3)n2)C1 225678706 JTUXDGFNRQKZPE-UHFFFAOYSA-N 372.410 0.299 0 40 FCAB Cc1nn(C)cc1C(=O)N1CCOC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257226742 FLYBNRPUFLEODN-LLVKDONJSA-N 353.404 0.069 0 40 FCAB CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cnn(C)c3)C2)ncn1 257275385 NPDURHZDVRSANK-KRWDZBQOSA-N 359.434 0.355 0 40 FCAB CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)c3cccnn3)C2)ncn1 257342422 ZONOVIFUWOUMHS-QGZVFWFLSA-N 357.418 0.094 0 40 FCAB CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](COc2ncccc2F)C1 306142018 WMYVYKMPJVXACU-LBPRGKRZSA-N 355.395 0.659 0 40 FCAB Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCCc2ccco2)cn1 515571774 FCXDLMRWSFZAPW-CQSZACIVSA-N 352.416 0.737 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(Cc3cnn(C(C)C)c3)C2)CN1CC1CC1 585109370 MASTWZOIRUHCTF-KRWDZBQOSA-N 361.490 0.875 0 40 FCAB O=S(=O)(N1CCOCC1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 585149253 BCKZPLGSESYDOL-LSDHHAIUSA-N 364.427 0.830 0 40 FCAB O=C(Cn1ccccc1=O)N1C[C@@H]2OCCN(Cc3cccnc3)[C@@H]2C1 1565544547 KSSFIOTWIQJGHV-SJORKVTESA-N 354.410 0.355 0 40 FCAB COc1cnccc1C(=O)N1CCCn2nnc(Cn3nncc3C)c2C1 1565555866 RGRQSQZJMARUAF-UHFFFAOYSA-N 368.401 0.676 0 40 FCAB COc1cc(=O)n(C)cc1C(=O)N1C[C@H]2CN(c3nccc(C)n3)C[C@@H]2C1 1888844581 KQZYHTONJNTKFY-KBPBESRZSA-N 369.425 0.701 0 40 FCAB CCc1cnc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)nc1 1888857127 RIRSSLIXSIIOBX-UHFFFAOYSA-N 355.446 0.992 0 40 FCAB Cc1nc(N2C[C@@H]3CN(c4ncnc5c4cnn5C)C[C@H]3C2)nc(O)c1F 1888901078 WXVKDDZVOULBMW-QWRGUYRKSA-N 370.392 0.879 0 40 FCAB Cc1cc(CN[C@H]2CCc3onc(CNS(C)(=O)=O)c3C2)n(C)n1 2055730030 SYQKPISGEMZLKY-NSHDSACASA-N 353.448 0.413 0 40 FCAB O=C(c1ccnnc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055781477 KGUBMHQETLXTMC-UHFFFAOYSA-N 354.414 0.831 0 40 FCAB O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)NC[C@@H]1CCCO1 5398524 QPHCPEQQPHKAFN-ZDUSSCGKSA-N 357.366 0.934 0 40 FCAB O=C(NCCc1ccccc1)C(=O)NCc1n[nH]c(=O)c2ccccc12 9623323 LOMFUTCYQVWMJQ-UHFFFAOYSA-N 350.378 0.898 0 40 FCAB COC[C@H](C)NC(=O)[C@H]1C[C@@H](c2ccc(F)cc2)NS(=O)(=O)N1C 12159506 QUZMBGOXWRZYIX-LEWSCRJBSA-N 359.423 0.556 0 40 FCAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N[C@@H]1CSC[C@@H]1O 12409901 GSEILHXZBLZUPS-FDGKGQQXSA-N 354.409 0.908 0 40 FCAB COc1cc(CCNC(=O)Cn2ccc(=O)[nH]c2=O)ccc1OC(F)F 14140993 FAGDTBLSHVFCDX-UHFFFAOYSA-N 369.324 0.506 0 40 FCAB O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccccn1 20746094 OBXZBEJHUJYLLD-UHFFFAOYSA-N 351.366 0.868 0 40 FCAB Cn1cc(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)cn1 22886582 FGAKSNSQKGHRIB-UHFFFAOYSA-N 364.446 0.728 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1 25204407 ASFNZUJHOAYTBO-UHFFFAOYSA-N 367.471 0.505 0 40 FCAB CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 25374664 GJOTUJTYJVXFAM-WCQYABFASA-N 374.484 0.680 0 40 FCAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O 33330711 UPKDGFAUXMMJBD-UHFFFAOYSA-N 366.399 0.394 0 40 FCAB COc1cccc(N2Cc3nc(=O)n(CC(=O)N4CCCC4)n3C2=O)c1 36358865 FJVIWNOFCZLHIJ-UHFFFAOYSA-N 357.370 0.664 0 40 FCAB COc1ccccc1CCNC(=O)Cn1nc(N2CCOCC2)ccc1=O 49546807 GYJVHZIGAFMYHV-UHFFFAOYSA-N 372.425 0.447 0 40 FCAB Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3cc[nH]n3)CC2)cn1C 50578161 HXMXZWDPDMZQFT-UHFFFAOYSA-N 366.447 0.169 0 40 FCAB COC(=O)C1CCN(C(=O)[C@@H](OC(=O)[C@@H]2CCC(=O)NC2)C(C)C)CC1 95369354 PQSMTSVNWPYQQV-HIFRSBDPSA-N 368.430 0.492 0 40 FCAB CCn1ccnc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1=O 95459410 VITWVJMHUIIKAF-INIZCTEOSA-N 370.409 0.752 0 40 FCAB C[C@@H](C(=O)N(CCN1CCOCC1)c1ccccc1)N1CCN(C)CC1 95462480 AIKIGQCIKVROGZ-SFHVURJKSA-N 360.502 0.988 0 40 FCAB CC(C)NC(=O)CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 95999868 JIULTSODFBXVSO-HNNXBMFYSA-N 367.471 0.735 0 40 FCAB CO[C@@H]1CCN(S(=O)(=O)N(C)C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96108584 YSUJVAJNLUCCJD-ARFHVFGLSA-N 354.476 0.409 0 40 FCAB CNC(=O)c1cc2c(nc1N(C)C)CCN(S(=O)(=O)C1CC1)CC2 96260327 DTDSSXMTRKWGML-UHFFFAOYSA-N 352.460 0.400 0 40 FCAB CN(C)C(=O)CN1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 96263853 FXTLREYXFDJXPO-STQMWFEESA-N 353.444 0.279 0 40 FCAB CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O 101138161 KADAQTGBCQCVSZ-CSPFCNMYSA-N 362.423 0.259 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)C[C@@H](CC(=O)O)c2ccccc2)CC1 226750000 IYEOYTMLMIHNOO-AWEZNQCLSA-N 354.428 0.739 0 40 FCAB COc1ncccc1C(=O)NC[C@]1(O)CCCN(c2cc(C)ncn2)C1 257267191 MGHMUPUBNWGPHZ-GOSISDBHSA-N 357.414 0.950 0 40 FCAB CCn1ncc(S(=O)(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)c1C 257320827 VYUIHYDAJMGFKD-UMVBOHGHSA-N 353.448 0.841 0 40 FCAB CCn1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4cnccn4)[C@H]3C2)cn1 306131032 JVDLSIZXVNOOEL-ZMSDIMECSA-N 356.430 0.570 0 40 FCAB CNS(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)nc1 529069031 MRMACCYXPQWWMF-JQLIAFOBSA-N 372.472 0.507 0 40 FCAB NC(=O)COc1ccc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)cc1 532003136 HJDNNCFDMZLUOE-AWEZNQCLSA-N 350.371 0.647 0 40 FCAB CCCOCc1ccccc1CNC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 569942803 XTEAMUYMDFFGNJ-QZTJIDSGSA-N 374.485 0.473 0 40 FCAB Cc1snnc1C(=O)N1C[C@@H]2C[C@@H](CC(=O)NCC3CC3)O[C@@H]2C1 585109405 NMCGWXDDPUKVHK-RWMBFGLXSA-N 350.444 0.992 0 40 FCAB O=C1CN(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CN1CC1CC1 683951282 YOKOBEYVRDZWLF-GFCCVEGCSA-N 367.431 0.286 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cnc(C(C)(C)C)nc3)C2)C1 685942556 OUKLGTMLMUJOKH-NSHDSACASA-N 359.430 0.193 0 40 FCAB CCc1nc(N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)nc(O)c1F 1888901070 WEGDYQICVNJJGV-QWRGUYRKSA-N 370.392 0.894 0 40 FCAB CCS(=O)(=O)N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055772684 OVRZQOYAOCNVTH-SNVBAGLBSA-N 353.400 0.994 0 40 FCAB O=C(O)CNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 2127043 FYCBPEZGMGNTLA-IZZDOVSWSA-N 358.306 0.980 0 40 FCAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nc(N)cc(N)n1 6985785 FGJDISPUMQOWKO-LBPRGKRZSA-N 373.438 0.860 0 40 FCAB Cc1ccc2c(c1)CCCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 8710134 UVQIOXMNYCMKRS-UHFFFAOYSA-N 367.409 0.722 0 40 FCAB O=C(NCCC(=O)N1CCC2(CC1)NCCc1nc[nH]c12)c1ccco1 8742505 ICFHSHHLBIZMJW-UHFFFAOYSA-N 357.414 0.786 0 40 FCAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NCc2ccco2)cc1 11904405 KIRNPWMIERAIHA-UHFFFAOYSA-N 370.408 0.825 0 40 FCAB Cc1nc(CCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cs1 12821625 BHKZWTIZWISRGG-UHFFFAOYSA-N 359.411 0.370 0 40 FCAB CCN1CCN(C2=N[C@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2)CC1 13719788 HTXSBVXBSIIKCT-OAHLLOKOSA-N 359.430 0.516 0 40 FCAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O 13984637 AALCRZGPYXGTMM-SGTLLEGYSA-N 359.382 0.663 0 40 FCAB Cc1cc(=O)c(C(=O)OCC(=O)N2CCNC2=O)nn1-c1ccccc1 14094159 ZXZQVBPCNRAPID-UHFFFAOYSA-N 356.338 0.250 0 40 FCAB CN(C)Cc1cc([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)nn1C 19709017 KMAIMDKPEBXUOM-CQSZACIVSA-N 371.507 0.238 0 40 FCAB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccon2)c2ccsc2)CC1 22766204 ZNJHDNMEVIRVQO-CYBMUJFWSA-N 363.443 0.780 0 40 FCAB CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)c1ccccc1 23115224 VCTHPIBYLKDRER-CYBMUJFWSA-N 357.414 0.989 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1 25777407 IYOXSGSBBSKGLB-UHFFFAOYSA-N 369.487 0.778 0 40 FCAB O=C(c1ccc(Cl)nc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 31387975 RTFDJXMDMPHYIV-UHFFFAOYSA-N 358.851 0.833 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cc(C)on2)CC1 35267013 XVEOWXRUCPYXNZ-ZDUSSCGKSA-N 373.479 0.514 0 40 FCAB COCc1nn2c(nnc3c(=O)n(NC(N)=O)ccc32)c1-c1ccccc1 40391295 AZIMHECOXXQLCY-UHFFFAOYSA-N 365.353 0.875 0 40 FCAB NC(=O)NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399789 JRGYTNHECSMVKX-MRVPVSSYSA-N 360.305 0.273 0 40 FCAB CC(=O)O[C@H]1O[C@H](CF)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 44082541 NGYYXVXMDLMRLI-ITGHMWBKSA-N 350.295 0.039 0 40 FCAB in-vitro CCOc1ccc(S(=O)(=O)NCCCNS(=O)(=O)CC)cc1 51162576 WTJVCTXADCZSDB-UHFFFAOYSA-N 350.462 0.693 0 40 FCAB NC(=O)c1ccccc1NC(=O)c1c[nH]c(=O)n(Cc2ccco2)c1=O 75172497 FHRAIVGDVQAINS-UHFFFAOYSA-N 354.322 0.529 0 40 FCAB Cn1cnc(S(=O)(=O)N2CC[C@]3(CCCN(c4ncccn4)C3)C2)c1 96216889 DQOQRCRWYPSEMA-INIZCTEOSA-N 362.459 0.891 0 40 FCAB CC(=O)OC[C@@H]1O[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 198107263 NHNYHKRWHCWHAJ-HPCHECBXSA-N 373.318 0.380 0 40 FCAB biogenic Cc1ncn(CC(=O)NCCN2Cc3ccccc3OCC2=O)c(=O)c1C 225770065 SMURDOAUYDALAM-UHFFFAOYSA-N 370.409 0.398 0 40 FCAB CC(C)n1nc2n(c(=O)c1=O)C[C@@]1(CCN(Cc3nccs3)C1)OC2 306126232 DQEGKXQBQQKUHO-INIZCTEOSA-N 363.443 0.617 0 40 FCAB C[C@@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)C[C@H]1CCOC1 328933564 PQVGWFJORVCASR-STQMWFEESA-N 351.428 0.741 0 40 FCAB COc1nc(CNC(=O)c2ccc3c(c2)OCO3)nc(N2CCOCC2)n1 575608610 VSGNHJXYUVKMLX-UHFFFAOYSA-N 373.369 0.376 0 40 FCAB CC(C)N(CCO)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O 585284600 MBZCFHAFHGXETQ-AZUAARDMSA-N 364.486 0.646 0 40 FCAB O=C(Cn1ccccc1=O)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565550660 DCXUFXAQIPBMFP-ROUUACIJSA-N 368.437 0.745 0 40 FCAB Cc1cc(CN2CCC(N=c3ccn(C)[nH]3)(C(=O)N3CCCC3)CC2)n[nH]1 2055745879 KVVHKYUATNFWMV-UHFFFAOYSA-N 371.489 0.943 0 40 FCAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4ncnn4C)CC3)nn2)n1 2086889142 FOBQEIWAPYGOLA-UHFFFAOYSA-N 353.434 0.730 0 40 FCAB COc1c(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)c(C)nn1C 93736025 MLIDKMQSQAZLBA-UHFFFAOYSA-N 369.447 0.373 0 40 FCAB CCOC(=O)c1cn([C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2=O)nn1 103704505 QRXZSLMFADFYPU-CQSZACIVSA-N 374.353 0.977 0 40 FCAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@H]1CCOC1=O 8761985 PULIXJVPUIDOCP-WCQYABFASA-N 366.395 0.608 0 40 FCAB CCN1CCN(CCCN[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)CC1 23358734 UIZURSPLUQXUOC-GOSISDBHSA-N 374.485 0.944 0 40 FCAB O=C(C[C@@H]1C(=O)Nc2ccccc21)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 58438397 KRSIHALREXQXQL-HFTRVMKXSA-N 373.453 0.966 0 40 FCAB CC(=O)c1ccc(C)cc1OS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 10761629 SPISVFJBJWAFES-UHFFFAOYSA-N 352.368 0.363 0 40 FCAB CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NC3CC3)CC2=O)cc1 36354321 OCMQLKHCSLPFEZ-LLVKDONJSA-N 351.428 0.568 0 40 FCAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 12923092 SYTRJEUOSWBRDK-NSHDSACASA-N 358.441 0.379 0 40 FCAB CS(=O)(=O)N1CCN(CC(=O)Nc2cccc3nsnc23)CC1 19078701 GRDXHKDQLMGZEB-UHFFFAOYSA-N 355.445 0.207 0 40 FCAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 14244433 VAKREKCSYDJFIB-AAEUAGOBSA-N 355.412 0.973 0 40 FCAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)N1CCNC1=O 15366065 IRGZNONBIQHNHI-UHFFFAOYSA-N 369.447 0.332 0 40 FCAB C[S@@](=O)Cc1cccc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 69598919 MZWZTKIDXZYFGM-PEBXRYMYSA-N 358.485 0.719 0 40 FCAB Cc1cc(CN2Cc3ccnn3C[C@H](CCNS(C)(=O)=O)C2)no1 306142817 XKSHGBWVCOOLCV-CYBMUJFWSA-N 353.448 0.751 0 40 FCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)C2CCC2)C3)n1 306136480 PUOMBXLUMUYSPQ-AWEZNQCLSA-N 365.455 0.980 0 40 FCAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)n1 40266216 MEGFDRTUCJNHAK-UHFFFAOYSA-N 371.397 0.610 0 40 FCAB COC(=O)[C@H](CC(C)C)NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 49543690 AZYXBXFIDGPPJP-KBPBESRZSA-N 361.398 0.831 0 40 FCAB biogenic CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Cn1ccc(C(F)(F)F)n1 330764529 PQZHXVBOMPULDW-VIFPVBQESA-N 354.354 0.442 0 40 FCAB CC(=O)N1CCOC2(CCN(C(=O)CNC(=O)c3cccnc3)CC2)C1 96268250 ANDRIELKHXIZCW-UHFFFAOYSA-N 360.414 0.051 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2ccccn2)C[C@]2(CNC(=O)C2)C1 96036015 MVNHYSYDQLZCAD-SFHVURJKSA-N 359.430 0.464 0 40 FCAB CS[C@H](CO)[C@H](C)NC[C@@H](O)Cn1c(-c2ccccc2)noc1=O 580445121 JZRPLMWWIVBQRB-IACUBPJLSA-N 353.444 0.566 0 40 FCAB Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(CC2CC2)CCC3)cn1 96197667 CYKCGHGLIKWFMO-UHFFFAOYSA-N 356.430 0.523 0 40 FCAB O=C([C@@H]1COC2(CN(Cc3cccnc3)C2)CN1CC1CC1)N1CCCO1 247844284 GMDKZZKWNICJQC-SFHVURJKSA-N 372.469 0.911 0 40 FCAB Cc1nc2ccc(C(=O)N[C@@H]3CCC[C@@H](N4CCNC(=O)C4)[C@@H]3O)cc2[nH]1 257323972 WMQCCIOWXKTYJR-QGPMSJSTSA-N 371.441 0.315 0 40 FCAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)c1n[nH]c2c1CCCC2 257300862 RVZAZDMWKIIQNB-SFHVURJKSA-N 356.430 0.792 0 40 FCAB CO[C@]1(CC(N)=O)COCCN(C(=O)C2(c3cccc(F)c3)CC2)C1 585280974 RBPDNERFMPQPHZ-KRWDZBQOSA-N 350.390 0.977 0 40 FCAB CC(=O)OC[C@H]1O[C@@H](n2cc[nH]c2=S)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5423730 HRGXUZGRRGADBL-FVCCEPFGSA-N 358.372 0.870 0 40 FCAB O=C(CN1CCOC1=O)N1CCC(COc2ccc3nccn3n2)CC1 1888856920 YALPMTAJJNKRAE-UHFFFAOYSA-N 359.386 0.799 0 40 FCAB O=C(c1cccc(-n2cnnn2)c1)N1CC[C@@H](Oc2ncc(F)cn2)C1 575413836 AWMZDWFPQVSXDV-CQSZACIVSA-N 355.333 0.885 0 40 FCAB COc1cccc(NC(=O)CN2C(=O)C(=O)N(CC(F)(F)F)C2=O)c1 32777526 BDOFVOVGWOILQV-UHFFFAOYSA-N 359.260 0.987 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1OC 5008420 SKAFHOSBYBILAZ-NWDGAFQWSA-N 372.443 0.666 0 40 FCAB Nc1nnc(N)n1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5713490 RAKYYHKZVMBZHT-UHFFFAOYSA-N 363.687 0.824 0 40 FCAB COCCN1C(=O)/C(=C\NC[C@H]2CC2(Cl)Cl)C(=O)NC1=S 6908265 OCXHYUXCTQMZLR-QHRPWQPMSA-N 352.243 0.543 0 40 FCAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC2CC2)cc1 6947109 CETYKXGSCNJHJC-CMDGGOBGSA-N 352.412 0.707 0 40 FCAB COc1ccc2c(C)c(CC(=O)N3CCNC(=O)C3)c(=O)oc2c1OC 8765321 MYTCQJSQUZTSCR-UHFFFAOYSA-N 360.366 0.620 0 40 FCAB biogenic CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 8993183 XKEBOOGSTGQKKM-QWHCGFSZSA-N 371.459 0.989 0 40 FCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN(C)C 10111679 CZJCFKOFBPHTRZ-UHFFFAOYSA-N 371.459 0.008 0 40 FCAB CCOC(=O)C1=C(COC(=O)c2ccc(NC(C)=O)cc2)NC(=O)NC1 12972108 FPTBVKQXWDBZDV-UHFFFAOYSA-N 361.354 0.932 0 40 FCAB CCOc1ccc(NC(=O)C[C@@H]2N=C(N3CCN(C)CC3)NC2=O)cc1 13693205 OEBBQOQYBHBDPQ-HNNXBMFYSA-N 359.430 0.516 0 40 FCAB CCOc1ccc(N2C[C@@H](C(=O)OCc3nc(N)nc(N)n3)CC2=O)cc1 17666332 OFQPMXRSLPRNAN-JTQLQIEISA-N 372.385 0.531 0 40 FCAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1 28209441 YUFOYTUWBKYVLP-DZGCQCFKSA-N 366.439 0.970 0 40 FCAB CN(CC(=O)NC(=O)NCC(F)(F)F)Cc1nc2ccccc2c(=O)[nH]1 35336524 VBQBDOIFBXIVQK-UHFFFAOYSA-N 371.319 0.743 0 40 FCAB COCCn1nnnc1[C@H](c1ccccc1OC)N1CCC(C(N)=O)CC1 57670120 SRDHAVLGODPEHO-INIZCTEOSA-N 374.445 0.615 0 40 FCAB CC(=O)Nc1cccc(NC(=O)C[C@H](CN2CCN(C)CC2)C(=O)O)c1 71286939 YVWIISMZZBDTGS-CQSZACIVSA-N 362.430 0.922 0 40 FCAB COC(=O)C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccco2)CCO1 75104450 SAPZDLKRLKQTPU-CHWSQXEVSA-N 350.371 0.675 0 40 FCAB CN1CCO[C@@H]2CN(CC(=O)Nc3ccc(N4CCOCC4)cc3)C[C@@H]21 79109538 LVTKZRKCMDISSK-ZWKOTPCHSA-N 360.458 0.477 0 40 FCAB CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)NCC(=O)NC1CC1 95460146 ZDWOURNCBAWNBZ-UHFFFAOYSA-N 354.428 0.886 0 40 FCAB CCOC(=O)C1CCN(C(=O)CCNC(=O)c2cc(C)nn2C)CC1 96192643 QTTOLEBKNJQPNI-UHFFFAOYSA-N 350.419 0.650 0 40 FCAB Cc1nnc(C[C@H]2C[C@H]3CN(S(=O)(=O)c4cn(C)cn4)C[C@H]3O2)o1 96217285 SOSHLODCSRLPSA-QJPTWQEYSA-N 353.404 0.132 0 40 FCAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc(F)cc(F)c1 96245833 NKBPDPCYIFIJFR-ZIAGYGMSSA-N 360.382 0.975 0 40 FCAB CN(C[C@@]1(O)CCN(c2cc(N(C)C)ncn2)C1)C(=O)c1cccn1C 257252560 JVEXMSSLUCXFIK-SFHVURJKSA-N 358.446 0.595 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H](Cc2nccnc2-c2nccn2C)C1 257280188 OJWMSIBJPSPAEC-GFCCVEGCSA-N 350.448 0.548 0 40 FCAB O=C(c1csnn1)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCOCC2)C1 1565547758 RXUPZWJZZKRHQW-IUODEOHRSA-N 352.416 0.018 0 40 FCAB CC(=O)N1CC2(CCN(C(=O)[C@H]3CCOC3)CC2)[C@]2(CCN(C)C2=O)C1 1565556459 JJVDTWXRXUVGTB-HNAYVOBHSA-N 363.458 0.342 0 40 FCAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5cncc(O)c5)C[C@H]4C3)ncnc21 1888888081 WOSKMPQXJDAQGO-BETUJISGSA-N 365.397 0.672 0 40 FCAB COCCN1C(=O)CO[C@H]2CCN(C3CCN(C(C)=O)CC3)CC[C@@H]21 2037849851 WQCPLPMEEQEJFV-IRXDYDNUSA-N 353.463 0.336 0 40 FCAB O=C([C@@H]1CN(c2ncccc2Br)CCO1)N1CCOCC1 2086847980 KWVWIGUEMYJHIP-LBPRGKRZSA-N 356.220 0.908 0 40 FCAB O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccccc1 2652940 GPJVVJLBDFRFHF-UHFFFAOYSA-N 367.361 0.549 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(N)=O)cc1 2653148 MXZYTTBBYVNLBH-UHFFFAOYSA-N 357.388 0.069 0 40 FCAB COC(=O)CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 3217185 CTIFSDQMNZKABL-RYUDHWBXSA-N 370.427 0.387 0 40 FCAB Cn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1 3531168 BNVJKRVKGIZHGA-GFCCVEGCSA-N 366.468 0.878 0 40 FCAB NC(=O)NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 3599364 WEYOROYFNPKBFP-IBGZPJMESA-N 366.377 0.871 0 40 FCAB Cc1ccc(S(=O)(=O)n2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 4524678 LCQKOKGTOUWINF-UHFFFAOYSA-N 368.392 0.787 0 40 FCAB O=C(COC(=O)c1ccco1)NCCNC(=O)COC(=O)c1ccco1 5856322 DWKYWRVLLMCLOR-UHFFFAOYSA-N 364.310 0.119 0 40 FCAB C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC(N)=O 9377673 LGCMRQBYHRDVEN-QMMMGPOBSA-N 358.383 0.784 0 40 FCAB Cn1c(CSc2n[nH]c(=O)n2Cc2ccccc2)cc(=O)n(C)c1=O 11391965 HXJBXKAUYBNINV-UHFFFAOYSA-N 359.411 0.309 0 40 FCAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 12750321 UAPXSGMXHDYFNN-KRWDZBQOSA-N 365.353 0.640 0 40 FCAB Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)o2)nn1C 16847936 AFBGYUVKQGUCRE-SNVBAGLBSA-N 354.392 0.141 0 40 FCAB CC(=O)N[C@@]12CCN(C)C[C@@H]1CN(S(=O)(=O)c1ccc(C)cc1)C2 19713022 PVKFOESUOLVNEI-NVXWUHKLSA-N 351.472 0.826 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)NCc2ccc3c(c2)OCCO3)CC1 26280906 BTGWVZXPPXEGFS-UHFFFAOYSA-N 369.443 0.681 0 40 FCAB O=S(=O)(NC1CCN(C[C@@H](O)Cn2cccn2)CC1)c1cccs1 51321407 ILDUTQGUVICLGB-CQSZACIVSA-N 370.500 0.748 0 40 FCAB COc1ccc(-n2ccc(C(=O)N[C@@H]3CCCN(CC(N)=O)C3)n2)cc1 68445972 FOTCTODHINFTFT-CYBMUJFWSA-N 357.414 0.560 0 40 FCAB O=C(CCN1C(=O)c2cccnc2C1=O)NCCc1nnc2ccccn12 79480629 OZWXIURUQDZJCJ-UHFFFAOYSA-N 364.365 0.469 0 40 FCAB CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)NC4CCC4)cn23)C1 96156285 PCHZNYPVQXRTJV-NSHDSACASA-N 363.443 0.761 0 40 FCAB CS(=O)(=O)NC[C@]12COC[C@H]1CN(C(=O)Cc1ccc(F)cc1)C2 96208302 IJPCAJCASFUPEP-CJNGLKHVSA-N 356.419 0.392 0 40 FCAB CN(C)C(=O)CO[C@H]1CCN(S(C)(=O)=O)C[C@@H]1Cc1ccccc1 96208774 SCTVXWLVYHRUEA-HOTGVXAUSA-N 354.472 0.984 0 40 FCAB COCC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ncccn3)C[C@@H]2C1 96251222 QEQSZUCHLLJKIQ-KSSFIOAISA-N 361.446 0.256 0 40 FCAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCn1nnc2ccccc2c1=O 101477639 WBQZVEGYBFFVFF-TXEJJXNPSA-N 370.365 0.467 0 40 FCAB COCCOC[C@@]1(CNC(=O)COc2ccccc2)C[C@H](O)[C@H](O)C1 107283959 YMGUKTFBCWDOLL-ALXJQNPVSA-N 353.415 0.347 0 40 FCAB biogenic,in-vitro CN1CC[C@@H](COCc2ccccn2)CC12CN(S(=O)(=O)N(C)C)C2 247972579 VCUTYVSZHZMNOQ-OAHLLOKOSA-N 368.503 0.801 0 40 FCAB O=C(CN1C(=O)CCC1=O)NCc1nnc2ccc(-c3cccs3)nn12 252511084 ZTJGZWSOPVZSPI-UHFFFAOYSA-N 370.394 0.618 0 40 FCAB Cc1n[nH]c(C)c1CC(=O)N1CCN(CCc2ccccc2)[C@H](C(N)=O)C1 257333166 YALQMHKOMRMEHW-SFHVURJKSA-N 369.469 0.810 0 40 FCAB Cc1sc(-n2cnnn2)c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1C 583652489 ZCERJNMQNGOXKG-JTQLQIEISA-N 355.445 0.505 0 40 FCAB CNC(=O)C[C@@]1(COC)CN(C(=O)c2n[nH]c3c2CCCC3)CCO1 585277163 GJVVMSHGTCUXTN-KRWDZBQOSA-N 350.419 0.282 0 40 FCAB COc1cc(CC(=O)N2C[C@@H](c3cncn3C)[C@H](CNC(C)=O)C2)ccn1 1615547688 LNMNFBVJYRDSOQ-HZPDHXFCSA-N 371.441 0.745 0 40 FCAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1 5047490 FSIYTRCYJCYCJR-UHFFFAOYSA-N 369.410 0.884 0 40 FCAB CC(C)[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 6358752 FPEQJDJUZGRSSZ-SMDDNHRTSA-N 364.423 0.611 0 40 FCAB O=C(Cn1ccnc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 10809279 QAHGSFCQNIDNEJ-UHFFFAOYSA-N 350.400 0.543 0 40 FCAB Cc1ccc(N([C@@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1C 13649591 XDBWDLPNCRQLNI-HNNXBMFYSA-N 367.471 0.759 0 40 FCAB C[C@@H](C(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1)N1CCCC1=O 19078364 UGABSZOTYLLOSO-KBPBESRZSA-N 358.442 0.906 0 40 FCAB COc1ccc(C)cc1CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 22916082 CYTLPLUEMQCZQM-HOTGVXAUSA-N 354.472 0.279 0 40 FCAB O=C1C[C@@H](c2ccccc2OCC(=O)N2CCOCC2)N2N=CNC2=N1 38304058 OQCVEBUHQKWICB-ZDUSSCGKSA-N 357.370 0.100 0 40 FCAB Cc1csc(=O)n1CCC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 40089073 KOTVBNODCJPPOH-UHFFFAOYSA-N 361.427 0.578 0 40 FCAB Cc1ccccc1NC(=O)CCc1nnc(SCC(=O)O)n(N)c1=O 41124425 JZCJBCRSBHSFTA-UHFFFAOYSA-N 363.399 0.409 0 40 FCAB CN(CC(=O)NCCNc1ncccn1)S(=O)(=O)c1cccs1 47105841 RWTZOQUWUNXTBT-UHFFFAOYSA-N 355.445 0.387 0 40 FCAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 60241807 BCIRHQWMRGOQJN-AWEZNQCLSA-N 370.409 0.684 0 40 FCAB O=C(c1ccc2c(c1)OCO2)N1CC(C(=O)N2CCC3(CC2)OCCO3)C1 70815539 ZWACUGFQQYAOPX-UHFFFAOYSA-N 374.393 0.853 0 40 FCAB COc1cccc(C(=O)N2CCC3(CC2)O[C@H](C(N)=O)Cn2ccnc23)c1 96144772 DCSSSVZETIJBKN-HNNXBMFYSA-N 370.409 0.907 0 40 FCAB CN1C(=O)CO[C@H](C(=O)NCCN2CCOCC2)[C@H]1c1ccc(F)cc1 96181766 DJYOOUDLTUOEQY-SJORKVTESA-N 365.405 0.172 0 40 FCAB CN1CCN(C[C@H]2CO[C@@]3(CCCN(C(=O)c4cn(C)cn4)C3)C2)CC1 96228474 BFWFHSQQVHOJFL-LPHOPBHVSA-N 361.490 0.679 0 40 FCAB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 100211631 FETOBAIVGXJKJT-NSHDSACASA-N 358.354 0.157 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 100660859 KCTUGKGYNYCRST-DGCLKSJQSA-N 363.757 0.979 0 40 FCAB CC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(-c3ncnn3C)cc2)CC1 190214560 VUYGXIHAROSHRX-CYBMUJFWSA-N 357.414 0.940 0 40 FCAB O=C(CO[C@@H]1CSC2(C1)CN(c1ccc3nncn3n1)C2)N1CCCC1 247746104 RLEOSWZAOFTVCB-ZDUSSCGKSA-N 374.470 0.828 0 40 FCAB COc1cc(N2Cc3cncn3[C@@H](C(=O)NCC3CCOCC3)C2)ncn1 247902596 RHAXPRJWKOPDPS-OAHLLOKOSA-N 372.429 0.786 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)Cc3cccs3)C2)CN1CC1CC1 247973908 VMXDCGZZIGLEEI-OAHLLOKOSA-N 363.483 0.728 0 40 FCAB O=C(N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O)C1(F)CCC1 306126753 FEKILGFALAHSEX-GFCCVEGCSA-N 369.418 0.763 0 40 FCAB CSC[C@@H](C)C(=O)N1CCC(C(=O)NC[C@@H]2CN3CCN2CC3)CC1 507884925 JUNNTGFIETUHBI-GDBMZVCRSA-N 368.547 0.340 0 40 FCAB CCOC(=O)[C@]12CCCN(C(=O)c3ncn(C)n3)C[C@H]1CN(C(C)C)C2 585108079 QTEICQMXWIGONQ-KSSFIOAISA-N 363.462 0.941 0 40 FCAB O[C@@H]1[C@H](O)COC[C@H]1N1CCN(Cc2cccc(-n3cccc3)c2)CC1 585291136 KOCHFDKJWVLHDZ-AQNXPRMDSA-N 357.454 0.716 0 40 FCAB O=C1C[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)NC(=O)N1 613296968 GWEDVJOUONVEGB-OLZOCXBDSA-N 368.397 0.776 0 40 FCAB CCn1cc(O[C@@H]2CN(S(=O)(=O)c3cncc(F)c3)C[C@H]2O)cn1 625312280 KWXGVWVBDGPWOM-ZIAGYGMSSA-N 356.379 0.250 0 40 FCAB CN(C)C(=O)COC[C@@H]1CN(c2ncccc2C(=O)O)CC(C)(C)O1 647454161 FYAFWVVNHPNTSS-LBPRGKRZSA-N 351.403 0.868 0 40 FCAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(C(=O)c3ccoc3)CC2)[nH]1 2055713623 OKDBGHHKEMGJJS-UHFFFAOYSA-N 368.397 0.902 0 40 FCAB C/C=C/c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)c(OC)c1 4950145 UCNVJNROIFMPMC-SUOGBLAWSA-N 367.398 0.051 0 40 FCAB COc1ccc(CN(C)C(=O)CSc2nc(N)nc(N)n2)cc1F 14245759 MFAQTPSHBKPFPT-UHFFFAOYSA-N 352.395 0.934 0 40 FCAB Cc1cnc(C(=O)N[C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)CC2)cn1 19749103 HCRCEHFMDLKFLW-HNNXBMFYSA-N 369.425 0.908 0 40 FCAB CN(CC(=O)NCCc1ccccn1)C1=NS(=O)(=O)c2ccccc21 21184036 BNWQDXVRRCUAJZ-UHFFFAOYSA-N 358.423 0.821 0 40 FCAB C[C@@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H](C)O1 21265196 AKMQZMBNPQVKHY-CHWSQXEVSA-N 355.460 0.985 0 40 FCAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCCc1ccc(F)cc1 36357270 FMULDVOWIUDPLG-FZMZJTMJSA-N 371.434 0.359 0 40 FCAB C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NC(N)=O)C1=O 42178570 YOKUNHMGODYHDM-CYBMUJFWSA-N 358.276 0.667 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 61719813 SRCBGQHOXWKLIO-LBPRGKRZSA-N 369.443 0.168 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)N1CCCN(c2nccs2)CC1 64472846 KACSJRAMFIWJDE-UHFFFAOYSA-N 370.438 0.987 0 40 FCAB COc1ccc(S(=O)(=O)N(C)Cc2noc(CCC(=O)O)n2)cc1 78400971 IEGYJBITRZDNSK-UHFFFAOYSA-N 355.372 0.916 0 40 FCAB CN1CCN(C(=O)[C@H]2C[C@H]3CN(C(=O)NCc4ccccc4)C[C@H]2O3)CC1 107264409 OURPYYAAKXXKEO-OKZBNKHCSA-N 372.469 0.760 0 40 FCAB CCc1nc(CNC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(C5CCCC5)C(=O)[C@H]24)O3)no1 252311085 SDOISGIFHJKEQE-RXMXQMHTSA-N 372.425 0.973 0 40 FCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)[C@@H]2C[C@H]2C)C3)n1 306134109 NDRFZQHXNNABTM-KWCYVHTRSA-N 365.455 0.836 0 40 FCAB Cc1cc(CN2Cc3ccnn3[C@@H](CNS(=O)(=O)C3CC3)C2)no1 306136921 QGVFIWRJZUACMO-AWEZNQCLSA-N 351.432 0.818 0 40 FCAB CCS(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)c3csc(C)n3)[C@H]2C1 575403535 GCYJTIMUUOSPQZ-DMDPSCGWSA-N 359.473 0.478 0 40 FCAB CN(C)c1nc(CNC(=O)COc2ccccc2)nc(N2CCOCC2)n1 575608472 YIQHNJJBIPOURN-UHFFFAOYSA-N 372.429 0.469 0 40 FCAB C[C@H](C(=O)N1CCOCC1)N1CCN(Cc2cnc3ccccc3n2)CC1 585094182 NNOULBFRJMEHOU-MRXNPFEDSA-N 369.469 0.995 0 40 FCAB O=C1CCCN1CC(=O)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585276269 FLPBVVFHYLUVMI-SFHVURJKSA-N 350.390 0.581 0 40 FCAB COCCOc1ncccc1NC(=O)N1CCN(c2nncn2C)CC1 653966525 MZDUFFAXIDNCBT-UHFFFAOYSA-N 361.406 0.589 0 40 FCAB C[C@](NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)(C(=O)O)c1ccccc1 663142509 VQKJMRWTWYUWOI-FSVZYJJUSA-N 372.377 0.265 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3coc4ccc(F)cc34)C2)C1 685943078 VNGKDGRMKULHRE-SNVBAGLBSA-N 359.357 0.991 0 40 FCAB CC[C@@H]1CN(C(=O)c2cc(C)nn2C)[C@H](CO)[C@@H]1CN1CCOCC1 1772594914 GNJJCOUOMNCTKX-BFYDXBDKSA-N 350.463 0.520 0 40 FCAB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3)ccc21 1426672 HXDHPJZKNVMRJX-UHFFFAOYSA-N 359.407 0.716 0 40 FCAB CNC(=O)NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N 3533920 DFPYEDOEELSFCG-UHFFFAOYSA-N 372.357 0.808 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3ccc(OC)cc3)C2=O)C1 5023855 UCHHNHQPMQYYMC-SFHVURJKSA-N 373.365 0.869 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1Cl)c(=O)n2C 6909112 JCUQIAZCJICHKB-UHFFFAOYSA-N 365.752 0.865 0 40 FCAB CCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 6938621 ZGXYRHJFFBMNDW-UHFFFAOYSA-N 369.443 0.884 0 40 FCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-n2cnnn2)cc1 8230305 VHPVATCZWIBPNK-UHFFFAOYSA-N 355.358 0.465 0 40 FCAB Cc1ccc(N(CCCC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1 8499050 RXXHLMLEDVAHLL-UHFFFAOYSA-N 367.471 0.842 0 40 FCAB NC(=O)c1nnsc1Sc1c(C(N)=O)nnn1-c1cccc(N)c1 8694505 ZQBABYKKGGULNJ-UHFFFAOYSA-N 362.400 0.050 0 40 FCAB CC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3Cc2ccco2)n(C)c1=O 8778512 RJHMHEHXXOYPKM-NSHDSACASA-N 371.397 0.735 0 40 FCAB COc1ccc(NC(=O)CSc2nncs2)cc1S(N)(=O)=O 9120625 FGURMAQFEGZFAD-UHFFFAOYSA-N 360.442 0.925 0 40 FCAB COCCN[C@@H]1[C@@H](O)[C@H](NC(=O)Nc2ccc(F)cc2)[C@H]2CO[C@@H]1O2 12483821 BDMLIFQJKSBZED-ARILJUKYSA-N 355.366 0.036 0 40 FCAB biogenic,in-vitro COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2C(C)C)n(C)c1=O 12516116 HVEBBRREJFHXTE-UHFFFAOYSA-N 360.418 0.927 0 40 FCAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCNC(=O)c2ccco2)C1=O 14241703 GDKXIMOCDDFLDB-SFHVURJKSA-N 370.365 0.898 0 40 FCAB Cc1nc2nc(C)c(CCC(=O)NCCC(=O)N3CCOCC3)c(C)n2n1 19578483 JXDMUUMKKJWTFV-UHFFFAOYSA-N 374.445 0.347 0 40 FCAB CN(C)c1cc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)ccn1 19584197 UHAKWLMBYGVLPO-UHFFFAOYSA-N 368.441 0.973 0 40 FCAB CN(C)S(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 20245146 VGOVKNHGHDSGNP-AWEZNQCLSA-N 359.423 0.734 0 40 FCAB C[C@]1(NC(=O)C[C@H](NC(N)=O)c2ccccc2F)CCS(=O)(=O)C1 24448282 ZEEXKKAWHPNVIU-WFASDCNBSA-N 357.407 0.619 0 40 FCAB CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 28038943 YNGVUAUAGNVAIV-GJZGRUSLSA-N 360.524 0.638 0 40 FCAB O=S(=O)(NCCCN1CCN(c2ncccn2)CC1)c1ccccc1 30004139 YBFRDJHTIVJIAU-UHFFFAOYSA-N 361.471 0.967 0 40 FCAB COCCCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 36357917 DIUAEGXVMMVYJI-UHFFFAOYSA-N 355.416 0.318 0 40 FCAB C/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2NC(C)=O)c(OC)c1 36390185 UCNVJNROIFMPMC-XKYPIXLLSA-N 367.398 0.051 0 40 FCAB Cc1nn(C)c(C)c1CCNC(=O)C(=O)N[C@H]1C(=O)N(C)c2ccccc21 44890924 WMADPSBXEVAZDC-MRXNPFEDSA-N 369.425 0.530 0 40 FCAB CN1C(=O)[C@H](NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)c2ccccc21 44893418 WILATQFAMXTWRY-GOEBONIOSA-N 370.409 0.832 0 40 FCAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCCCNC3=O)ccc21 45741363 MGHRHINYFWIDDL-AWEZNQCLSA-N 351.428 0.543 0 40 FCAB CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 68050399 XBNPIJUQXFPKKG-UHFFFAOYSA-N 362.249 0.484 0 40 FCAB C[C@H](C(=O)N(C)CC(=O)N[C@H](CC(N)=O)C1CCCCC1)n1cccn1 72310456 BMMAMIMJSQLYPS-UKRRQHHQSA-N 363.462 0.843 0 40 FCAB CC(C)COCCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 95394690 PYBVVEXPDVKYAO-MRXNPFEDSA-N 355.479 0.489 0 40 FCAB CCOC[C@H]1CN(C(=O)CS(C)(=O)=O)Cc2ncn(CC3CC3)c21 96045145 KKGZXYLCFYHRDU-CYBMUJFWSA-N 355.460 0.800 0 40 FCAB COc1cc(N2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)ncn1 96111152 XUJFAGBGOHYDGN-FZKQIMNGSA-N 355.398 0.649 0 40 FCAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCN(C(=O)c2ccco2)CC1 101496636 ANLXLBZHGQQPOT-ZIAGYGMSSA-N 371.393 0.515 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cc(-c3nccn3C)ncn2)C1 257294061 QSGODEZATQUURO-LBPRGKRZSA-N 350.448 0.548 0 40 FCAB CC(C)N(C)C(=O)C1CCN(C(=O)Cn2cnc3c(c2=O)CCC3)CC1 329877326 JDBADGJVJOKKKC-UHFFFAOYSA-N 360.458 0.837 0 40 FCAB CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)Cc3ccccc3)C2)C1 514290436 ZLSZGOXVOIRTDI-ZWKOTPCHSA-N 371.481 0.744 0 40 FCAB biogenic,in-vitro O=C(N[C@]1(CO)COc2ccccc2C1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 529820989 IFQSAJUMEUGEEI-MLGOLLRUSA-N 372.343 0.880 0 40 FCAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NC(=S)Nc1ccccc1 575421875 SJLHILQPZLFXDK-NEPJUHHUSA-N 357.457 0.885 0 40 FCAB O=[S@@]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cnn(-c2ccccc2F)c1 593662229 VMOIZVZLIYUHHE-WEVHURDZSA-N 355.416 0.905 0 40 FCAB COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2ncccc2C(=O)O)C1 647453593 NCHJHXFTRPOUIU-GFCCVEGCSA-N 357.432 0.657 0 40 FCAB C[C@@](NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)(C(=O)O)c1ccccc1 663142510 VQKJMRWTWYUWOI-XEYQKWODSA-N 372.377 0.265 0 40 FCAB CCN1C[C@]23CN(C(=O)c4cc(C5CC5)on4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565553146 LVAQSIBHXZRWJV-DIOULYMOSA-N 367.427 0.569 0 40 FCAB O=C(NCc1ccco1)C(=O)NCC1(N2CCOCC2)CCSCC1 1775974668 KWHVCCQHADTDNR-UHFFFAOYSA-N 367.471 0.610 0 40 FCAB O=C(C1=COCCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5613902 XVELXOAEUNEONO-UHFFFAOYSA-N 356.375 0.547 0 40 FCAB O=C(NCCCO)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 8879176 QBNLHAMXLJITFZ-NVQRDWNXSA-N 372.377 0.200 0 40 FCAB NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8922598 LOXQDUQEOZKDBV-HNNXBMFYSA-N 365.455 0.951 0 40 FCAB CN(C)c1nc(N)nc(COC(=O)C2CCN(C(=O)c3ccco3)CC2)n1 11134785 MTNZOTSLLJBXFD-UHFFFAOYSA-N 374.401 0.708 0 40 FCAB CCCNC(=O)[C@H](C)NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 12868892 VDFGOQXHUJRQRQ-UELRPHRMSA-N 367.471 0.998 0 40 FCAB COCCNC(=O)CN1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 19593466 WOHONNAXILVPSM-XJKSGUPXSA-N 361.446 0.137 0 40 FCAB Cc1cc(NC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)no1 22804461 GZZZUCWRYVLRAA-UHFFFAOYSA-N 363.462 0.942 0 40 FCAB CNC(=O)c1cc(S(=O)(=O)NCCN2CCCCC2)ccc1OC 26111946 HWKQJILSWZSBIQ-UHFFFAOYSA-N 355.460 0.819 0 40 FCAB Cn1c(CN2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)nc2ccccc21 44213681 UWVQVYZLJYJSIK-INIZCTEOSA-N 371.485 0.986 0 40 FCAB CCOC(=O)N(C)CC(=O)NCCNS(=O)(=O)c1cc(C)ccc1C 52516329 WZLCYEVBUWKSDO-UHFFFAOYSA-N 371.459 0.786 0 40 FCAB O=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCN(c2ccccn2)CC1 70838902 HIXRQHYBPXCZSH-UHFFFAOYSA-N 350.444 0.154 0 40 FCAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N[C@H]1CCS(=O)(=O)C1 95478726 WFYONBPGFFCOAF-STQMWFEESA-N 372.516 0.930 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2ccccn2)C[C@]2(CC(=O)N(C)C2)C1 96036114 QVWZGANULVUSSY-LJQANCHMSA-N 373.457 0.806 0 40 FCAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCCN(C)C)C2=O)cc1 96221154 LTWJQMHRMWKHNX-HNNXBMFYSA-N 362.430 0.574 0 40 FCAB biogenic CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 100660864 KCTUGKGYNYCRST-WCQYABFASA-N 363.757 0.979 0 40 FCAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 224499118 HSYNYOHNZQDIEW-UHFFFAOYSA-N 354.428 0.613 0 40 FCAB CN(C)S(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F 247950317 LNJDBMSBBHXDFD-LBPRGKRZSA-N 359.423 0.887 0 40 FCAB Cn1nccc1C(=O)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 248041129 OHBHRYXPDYIRCT-CYBMUJFWSA-N 353.444 0.476 0 40 FCAB COc1ccc(S(=O)(=O)N2CC(N3C(=O)CNC3=O)C2)cc1Cl 253473549 WIYFTUPHOIQULQ-UHFFFAOYSA-N 359.791 0.273 0 40 FCAB COCC(=O)N1CC2(CCN(Cc3[nH]cnc3C)CC2)C[C@]1(C)CO 257219635 DHMYKLHOCGQNRC-QGZVFWFLSA-N 350.463 0.930 0 40 FCAB Cn1nccc1CCC(=O)N1CCN(CCc2ccccc2)[C@@H](C(N)=O)C1 257281202 OOCKPWVKNGCGNO-GOSISDBHSA-N 369.469 0.594 0 40 FCAB Cn1cc(S(=O)(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)c(C(F)(F)F)n1 555351955 YIPNFLXLEKXWCW-LDYMZIIASA-N 366.365 0.774 0 40 FCAB CCCOCc1ccccc1CNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 569942802 XTEAMUYMDFFGNJ-MSOLQXFVSA-N 374.485 0.473 0 40 FCAB CNC(=O)[C@@H]1CN(CC2(O)CCCCCC2)CCN(S(C)(=O)=O)C1 585283393 NZWJRNJCNBTEGC-CQSZACIVSA-N 361.508 0.011 0 40 FCAB Cc1cc(NC(=O)[C@@H]2Cn3c(C)nnc3CN2C)nn1CC(F)(F)F 644491208 ZZUNDSAMAXYEEU-JTQLQIEISA-N 357.340 1.106 0 40 FCAB C[C@@]1(C2CCN(C(=O)[C@@H](C(=O)O)C3CCCC3)CC2)NC(=O)NC1=O 663061326 GRIHWJQQJCBPQT-SJCJKPOMSA-N 351.403 0.714 0 40 FCAB Cc1snnc1C(=O)N1CCc2ncnc(N3CCN(C)CC3)c2CC1 1565543221 ZJWFRKGWGVXIAB-UHFFFAOYSA-N 373.486 0.629 0 40 FCAB Cc1ncnc(C(=O)N2CCn3c(COc4ncccn4)nnc3C2)c1C 1565546695 IJCVONQYNHSRRN-UHFFFAOYSA-N 366.385 0.710 0 40 FCAB Cn1cc(S(=O)(=O)NCC2(N3CCSCC3)CCOCC2)cn1 1888853260 HZEKCIXVIGYTGA-UHFFFAOYSA-N 360.505 0.296 0 40 FCAB Cc1ccnc(N2CCC[C@@]3(CCCN(C(=O)Cn4cnnn4)C3)C2)n1 2056224469 RGRPDAPIWLFSDA-QGZVFWFLSA-N 356.434 0.681 0 40 FCAB COc1cnc(O[C@H]2CCN(CC(=O)N3C[C@H](C)O[C@H](C)C3)C2)nc1 2086954076 YQAXITKKBJTZOL-MJBXVCDLSA-N 350.419 0.574 0 40 FCAB CCCCn1c(SCC(=O)OCC)nc2c1c(=O)n(C)c(=O)n2C 4161102 YEPZLMCSPABOBK-UHFFFAOYSA-N 354.432 0.889 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4504860 QHMLYWYCSHZJDR-ZDUSSCGKSA-N 374.484 0.634 0 40 FCAB Cc1ccc(Cn2c(=O)c3c(nc(NCCCO)n3C)n(C)c2=O)cc1 7425801 BGTVHTHNAIUHMO-UHFFFAOYSA-N 357.414 0.585 0 40 FCAB CCCNC(=O)NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1 8626304 WNXWMTMIUCUTHW-UHFFFAOYSA-N 370.427 0.938 0 40 FCAB CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 9060686 MIPVZRGLDGBKEY-OLZOCXBDSA-N 353.469 0.850 0 40 FCAB O=C1CCN(CC(=O)NC(=O)Nc2ccc(Br)cc2)CCN1 9336051 SUMBQEUBMBRRHV-UHFFFAOYSA-N 369.219 0.919 0 40 FCAB O=C(O)c1n[nH]c2[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc3c12 12375193 NUDSGJJXPPNKJO-UHFFFAOYSA-N 350.356 0.763 0 40 FCAB CCCN(C(=O)c1nc2nc(C)cc(C)n2n1)[C@@H]1CCS(=O)(=O)C1 12766913 XRNSGABBGIZNAL-GFCCVEGCSA-N 351.432 0.780 0 40 FCAB CC(C)N1C[C@H](C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CC1=O 19659513 KYUFJYRPRUMVGJ-GFCCVEGCSA-N 356.419 0.973 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 20728190 DAKUHCWRRVPFHW-GFCCVEGCSA-N 369.418 0.282 0 40 FCAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCC(=O)N1CCNC1=O 21867895 ORLJEBCUCOIESH-UHFFFAOYSA-N 372.381 0.498 0 40 FCAB NC(=O)[C@H](c1ccc(F)cc1)N1CCN(CC(=O)N2CCCCC2)CC1 23249167 QVVFZMAHDTVJBK-SFHVURJKSA-N 362.449 0.982 0 40 FCAB CCOC(=O)[C@@H]1CCCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 24938963 BDTKOZIWVVXOFH-ZIAGYGMSSA-N 360.410 0.919 0 40 FCAB C[C@@H](CCc1ccco1)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 32905504 LKTUIFCVVZNXAC-NSHDSACASA-N 356.382 0.976 0 40 FCAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1 58103983 YVMYRTGSNWFHOJ-CYBMUJFWSA-N 353.444 0.715 0 40 FCAB CC(C)CNC(=O)[C@H](C)OC(=O)CNc1ccc(S(N)(=O)=O)cc1 58313014 LVWUFEJKBHNJIH-NSHDSACASA-N 357.432 0.450 0 40 FCAB CNC(=O)COC1CN(C(=O)CNC(=O)Cc2cccc3ccccc23)C1 75094002 RGWIYCSPZPAQLD-UHFFFAOYSA-N 369.421 0.472 0 40 FCAB Cn1cccc1C(=O)N1CC[C@@]2(CC(C(=O)NC[C@H]3CCCO3)=NO2)C1 96225627 NNRIGILUCHASFT-FZKQIMNGSA-N 360.414 0.681 0 40 FCAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 97020802 HTDZIYPCXVNJRP-AAEUAGOBSA-N 366.447 0.812 0 40 FCAB O=C1CCCN1CC(=O)N1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 100754131 NUXNUEVHBQJXJG-BBRMVZONSA-N 371.441 0.524 0 40 FCAB CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2ccccc2F)C1=O)C(=O)O 101273645 NJEYIEBTIVHXNV-ZYHUDNBSSA-N 354.359 0.780 0 40 FCAB Cc1cc(C)c(N(C[C@@H](O)CN[C@H](C)C(=O)O)S(C)(=O)=O)c(C)c1 230239309 NWHBZSVGBYFZQO-KGLIPLIRSA-N 358.460 0.801 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccnnc1)CC2 247837051 JOEJPKMKVFHEJS-CQSZACIVSA-N 368.459 0.237 0 40 FCAB Cc1ccnn1CCC(=O)N(C)C[C@@]1(O)CCCN(c2ncccn2)C1 257280161 OJSUQRBGHLIUPW-SFHVURJKSA-N 358.446 0.862 0 40 FCAB CC(=O)N1CCC(c2nccnc2CNC(=O)Cc2nonc2C)CC1 257302849 SERULDPEBMXZFM-UHFFFAOYSA-N 358.402 0.753 0 40 FCAB CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)c3cscn3)C2)CC1 257307486 SYVAXFZGAPDQQE-MRXNPFEDSA-N 352.460 0.321 0 40 FCAB C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c2nccn21 527992679 ZTNWUPQUHQJNKS-YPMHNXCESA-N 353.448 0.708 0 40 FCAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2cc(-c3ccco3)[nH]n2)C1 585322992 RSBDSTJSEFIFTE-UHFFFAOYSA-N 361.383 0.702 0 40 FCAB CNc1cnc(C(=O)N[C@@H]2CCC[C@H]2NC(=O)c2cnc(NC)cn2)cn1 626660504 GFMVJAIJCVKTOW-GHMZBOCLSA-N 370.417 0.431 0 40 FCAB CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H]1CCOc2c(C)cccc21 661060834 FSAWODZGYWJDFW-MCIONIFRSA-N 354.428 0.930 0 40 FCAB N[C@@H](C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(F)cc1F 662733536 LKYDCSTYOYQWPN-RHSMWYFYSA-N 368.428 0.487 0 40 FCAB COCCN1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)c4cc[nH]n4)CC3)[C@H]2C1 1565546741 JLPVFEHSAQDOAL-KBPBESRZSA-N 361.446 0.051 0 40 FCAB Cc1noc(C[C@@H]2COC[C@H]3CN(C(=O)Cn4ccccc4=O)C[C@@H]23)n1 1565549409 WNZHXBKPEFFGQU-KFWWJZLASA-N 358.398 0.503 0 40 FCAB Cn1c(=O)c2c(nc(NCCCO)n2Cc2ccccc2F)n(C)c1=O 2323001 CNLCRFLZLVPLLU-UHFFFAOYSA-N 361.377 0.415 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)NC13CC4CC(CC(C4)C1)C3)c(=O)n2C 4938743 AQXHVYPFOUAJSS-UHFFFAOYSA-N 371.441 0.519 0 40 FCAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8814406 UXRSYQUUOQUDGX-ZETCQYMHSA-N 368.444 0.408 0 40 FCAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 11691478 JRWXYAFLFPXBTG-AWEZNQCLSA-N 361.379 0.830 0 40 FCAB O=C(COc1cccnc1)N1CCN(c2ncc3c(n2)CCOC3)CC1 12234996 CDYDIBOGCGFIQO-UHFFFAOYSA-N 355.398 0.672 0 40 FCAB CC(C)CN(C(=O)COc1nnc2ccccn12)[C@H]1CCS(=O)(=O)C1 12909004 CBUZCCXBEQYUPK-ZDUSSCGKSA-N 366.443 0.780 0 40 FCAB COc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)N1CCOCC1 12911008 IOBWWWGZNDAIGW-LBPRGKRZSA-N 350.371 0.216 0 40 FCAB CC(C)[C@@H](CNC(=O)Cn1nnc2ccccc2c1=O)N1CCOCC1 12953777 LAAJVPIUUQEEAZ-MRXNPFEDSA-N 359.430 0.265 0 40 FCAB CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 13152636 BNDWIWCKYBUTIZ-UHFFFAOYSA-N 352.460 0.925 0 40 FCAB C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(Cl)c1 15329534 GBIIDDYILGCMEU-SECBINFHSA-N 357.819 0.777 0 40 FCAB CCOC(=O)N[C@@](NN1CCN(C)CC1)(C(=O)OCC)C(F)(F)F 19169444 PEDZWTQIOPRVEV-GFCCVEGCSA-N 356.345 0.306 0 40 FCAB COc1ccccc1-n1nnc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1C 19557826 CKPHEDOGRGTOTD-INIZCTEOSA-N 364.427 0.891 0 40 FCAB Cc1ccc(C)c(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 19991824 DITOBIYVWXJEFM-UHFFFAOYSA-N 369.487 0.518 0 40 FCAB CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CCO1 29154374 ASYPTUBJQPCZOP-AWEZNQCLSA-N 356.444 0.862 0 40 FCAB O=C(Cc1cn2ccsc2n1)N1CCN(CC(=O)N2CCCC2)CC1 35308125 TWYGRGUCNIXEQI-UHFFFAOYSA-N 361.471 0.705 0 40 FCAB O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)NC[C@@H]1CCCO1 35315627 JVUNFEYQKLDWRJ-AWEZNQCLSA-N 371.393 0.977 0 40 FCAB CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccco3)ccc2=O)CC1 38790724 RWXMWJVRBJSPNJ-UHFFFAOYSA-N 360.370 0.804 0 40 FCAB CCc1c(C(=O)NCCCN2CCOCC2)cnn1-c1ccc(OC)nn1 47699232 NNDNWGYZHSQSCW-UHFFFAOYSA-N 374.445 0.685 0 40 FCAB COC(=O)C1CCN(C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)CC1 57753671 OXEOPSSURFARAW-INIZCTEOSA-N 359.426 0.310 0 40 FCAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 58215922 UNZNATNJTZQGPQ-LLVKDONJSA-N 361.441 0.576 0 40 FCAB CCNC(=O)C1(NC(=O)CNS(=O)(=O)c2cccs2)CCCCC1 58224828 OYOZIGWMLNZUGO-UHFFFAOYSA-N 373.500 0.982 0 40 FCAB C[C@@H](c1nnnn1-c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 71892578 RVWPKQYJTGZVKH-JTQLQIEISA-N 352.358 0.019 0 40 FCAB Cc1cc(NC(=O)[C@@H]2C[C@@H](c3cn(C)nc3C)NS(=O)(=O)N2C)no1 72335143 CDAXJABSJAOKQF-RYUDHWBXSA-N 368.419 0.243 0 40 FCAB COc1ccccc1N1CCN(C(=O)Cn2ncc3cccn3c2=O)CC1 72346571 DLWUWGBDYRZZSR-UHFFFAOYSA-N 367.409 0.853 0 40 FCAB O=C(C[C@@H]1COCCN1C(=O)Cc1cccc(O)c1)NCc1ccncn1 72473219 HHAYDLZHRXMSQS-MRXNPFEDSA-N 370.409 0.659 0 40 FCAB CCC(CC)[C@@H](CNC(=O)c1cccn2c(=O)[nH]nc12)N1CCOCC1 95457374 WSHHLGSMYZGCLU-OAHLLOKOSA-N 361.446 0.889 0 40 FCAB CC(C)N(C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)C1CC1)CCC2 96197563 JIVKPLFUKRNPAB-UHFFFAOYSA-N 354.476 0.781 0 40 FCAB CCOc1ncccc1CNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 108088835 GOZFQMYLPFAKBG-UXOAXIEHSA-N 359.382 0.259 0 40 FCAB CC(=O)N1CCN(C(=O)CCN(C)c2cccc(C)c2)C[C@H]1C(=O)N(C)C 257236588 HCWPASVTOYGWSV-SFHVURJKSA-N 374.485 0.969 0 40 FCAB CCc1cc(C(=O)NCc2ccnc([C@@H]3CN(C(C)=O)CCO3)n2)on1 257249185 JHEXPOFBNKDZBY-HNNXBMFYSA-N 359.386 0.877 0 40 FCAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3nccnc3N)C2)cc1 257299833 RRTUTKCZSISRKV-ZDUSSCGKSA-N 350.400 0.830 0 40 FCAB Cn1cnnc1C1CCN(S(=O)(=O)c2cccnc2C(=O)O)CC1 572281790 SGWNNEPSVZOPNE-UHFFFAOYSA-N 351.388 0.477 0 40 FCAB CN1CC2(CN(C(=O)C3CCC3)C2)OC[C@@H]1C(=O)NCC1CCOCC1 575404921 PNXJZCQEOXAPMO-MRXNPFEDSA-N 365.474 0.241 0 40 FCAB Cn1cc(NC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)c(C(N)=O)n1 585114307 GSTBTUUDHMHEHJ-YUMQZZPRSA-N 350.297 0.442 0 40 FCAB CN(CCOc1ccccc1F)C(=O)C[C@@H]1CS(=O)(=O)CCN1C 644264646 QOVNCMWDZHADCC-CYBMUJFWSA-N 358.435 0.782 0 40 FCAB COCc1cc(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2C)ccc1F 644342121 JZIOSLMHGIEXPH-CQSZACIVSA-N 358.435 0.707 0 40 FCAB C[C@](O)(CNS(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1)C(=O)O 1589147374 FSCUCGFHWZZRTO-ZDUSSCGKSA-N 365.766 0.967 0 40 FCAB O=C(N1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1)C1(F)CCC1 1614935796 VTGIEYJOGBUFOK-WMLDXEAASA-N 365.405 0.912 0 40 FCAB CNCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)Nc2nccs2)nn1 8297736 PMABBHYSNGORCC-YUTCNCBUSA-N 361.475 0.803 0 40 FCAB biogenic,in-vitro CCNC(=O)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1Cl 8314038 SPVDSLHTPBHPIE-JTQLQIEISA-N 361.851 0.649 0 40 FCAB Cn1cc(C(=O)NCCc2nc(-c3ccccc3)ncc2C(N)=O)cn1 19697449 HGHIPUJKWWIRAY-UHFFFAOYSA-N 350.382 0.949 0 40 FCAB CS(=O)(=O)c1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 24776700 VKZKWFUHTXKYOM-UHFFFAOYSA-N 360.457 0.198 0 40 FCAB NC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@]2(CCSC2)C1=O 32392156 NJLDHVDWUWZIGQ-CYBMUJFWSA-N 354.413 0.213 0 40 FCAB CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 32611227 FPVQYMARHFCHDW-ZDUSSCGKSA-N 369.443 0.236 0 40 FCAB CCCCn1c(NCCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C 36693355 JLTVEEUHIHUHGB-UHFFFAOYSA-N 364.450 0.358 0 40 FCAB Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(NC[C@H]2CCCO2)n1 39383612 YHYBJIFKADIUMM-CYBMUJFWSA-N 372.429 0.963 0 40 FCAB COC(=O)CNC(=O)c1c(S(=O)(=O)Nc2ccc(C)cc2)n[nH]c1C 49003426 FYMJDHNBAYYICX-UHFFFAOYSA-N 366.399 0.730 0 40 FCAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NC2CCCC2)N(C)S(=O)(=O)N1 72335158 SOGUBIBXHIXRMM-KGLIPLIRSA-N 355.464 0.367 0 40 FCAB COCCN1C[C@H]2CCN(C(=O)c3cc(C)on3)CC[C@H]2S1(=O)=O 96145639 YNJGZZFTLGEIPT-TZMCWYRMSA-N 357.432 0.496 0 40 FCAB CC(C)Cn1cc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cn1 96192177 SCLKFGNPGYCRFP-OAHLLOKOSA-N 363.462 0.340 0 40 FCAB CN1CCO[C@@H]2CN(CC(=O)Nc3ccc(N4CCOCC4)cc3)C[C@H]21 107157807 LVTKZRKCMDISSK-QZTJIDSGSA-N 360.458 0.477 0 40 FCAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217498818 QNOGVTIRDSJCPI-GFCCVEGCSA-N 358.416 0.900 0 40 FCAB COc1nccnc1O[C@@H]1CCN(C(=O)Cn2cnc(C)c(C)c2=O)C1 225808503 JLDTUFURXUPUPZ-CYBMUJFWSA-N 359.386 0.339 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)c2ccsc2)Cc2ccnn2C1 247491373 BPMFTRZBNXOOQZ-NSHDSACASA-N 354.457 0.766 0 40 FCAB CN[C@H]1CC2(CCN(C(=O)c3ccc(CCN)cc3)CC2)OC[C@]1(C)O 257327460 XBKZVDMWDBBPLB-HKUYNNGSSA-N 361.486 0.922 0 40 FCAB O=C(c1cnccn1)N1C[C@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2C1 306123507 APAMKKZQWKEJFB-GOEBONIOSA-N 358.423 0.763 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(Cc3cccnc3OC)C[C@H]21 306140291 UPABOSOATSDCAJ-JSGCOSHPSA-N 357.414 0.448 0 40 FCAB CCC(=O)Nc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1OC 408699631 YGUMXWVUKQFHTM-UHFFFAOYSA-N 369.443 0.930 0 40 FCAB C[C@@]1(C(=O)NCCO)CCCN1Cc1ccc(OCCOCCO)cc1 585269876 OCHQLFSSHXNZMS-IBGZPJMESA-N 366.458 0.537 0 40 FCAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCOCC2)C1 585291887 UZSHSBQYRLBSGO-WBVHZDCISA-N 354.834 0.149 0 40 FCAB C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1nnc2n1CCCCC2 642616552 MNRRQJAVGMKULT-RYUDHWBXSA-N 356.448 0.462 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NC[C@@]2(O)CCCc3occc32)C1=O 1565523458 PRXOMLIWBHURHI-AWEZNQCLSA-N 357.388 0.210 0 40 FCAB O=C1[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]2OCCN1Cc1ccncc1 1565549723 AIAQZTXFOGDQAW-ZBRFXRBCSA-N 371.437 0.550 0 40 FCAB O=C([C@H]1CN(CC(=O)N2CCc3ccccc32)CCO1)N1CCOCC1 1888876433 LASNDXPKRLZXFU-QGZVFWFLSA-N 359.426 0.135 0 40 FCAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)CN(C)C)C1 2055751428 WNJNWACYUJRANE-IBGZPJMESA-N 362.474 0.784 0 40 FCAB c1ccc(NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 830328 XMRLJXOQWFLTRA-UHFFFAOYSA-N 357.418 0.984 0 40 FCAB C[C@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 838181 OFGGDPVEEALBOZ-JTQLQIEISA-N 361.377 0.414 0 40 FCAB O=C(COC(=O)CCCOc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 4317393 XCNVSEFAFKTPHV-CYBMUJFWSA-N 355.412 0.692 0 40 FCAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NC(=O)NCc1ccco1 5183470 XMMUAHKTJZODMG-UHFFFAOYSA-N 370.321 0.699 0 40 FCAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O 5797603 UXHMSIXZSNRIKR-SFHVURJKSA-N 361.398 0.711 0 40 FCAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1nnn(-c2ccccc2)c1=O 16362406 SYSVYUDZIQFIRM-JSGCOSHPSA-N 358.402 0.834 0 40 FCAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)COC)C1)C2=O 19700021 PDIRACWJJZYKFH-CQSZACIVSA-N 366.462 0.420 0 40 FCAB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1[C@H]1CCS(=O)(=O)C1 21902253 RMDKXTWCDPWYPW-NSHDSACASA-N 369.472 0.963 0 40 FCAB CCOC(=O)N1CCN(Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)CC1 21916269 XKJVWDLRIZSDQF-UHFFFAOYSA-N 374.397 0.984 0 40 FCAB O=C(OCC(=O)N1CCNC1=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 24917287 MYGOPFYJJDJTNG-AWEZNQCLSA-N 359.382 0.173 0 40 FCAB COc1ccc(NC(=O)NCCCNC(C)=O)cc1NS(C)(=O)=O 72264337 PJOOBWACFTUZSX-UHFFFAOYSA-N 358.420 0.714 0 40 FCAB CC(=O)c1cc(CN2CCN(CC(=O)O)[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 77486941 AHBUSKLEDXCCCX-QWHCGFSZSA-N 372.468 0.319 0 40 FCAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)CNS(=O)(=O)CC)c1 84726560 SISYMZXCHPPTLO-LBPRGKRZSA-N 355.460 0.770 0 40 FCAB COc1ccc(C(=O)CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 100306339 AITPQUGTTQPTRB-UHFFFAOYSA-N 360.395 0.944 0 40 FCAB O=C(Cn1ncccc1=O)N1CC(n2cc(COc3ccccc3)nn2)C1 225627856 XDLLINMCABREEX-UHFFFAOYSA-N 366.381 0.497 0 40 FCAB CS(=O)(=O)N1Cc2ccnn2[C@H](CCOCC(=O)N2CCCC2)C1 247533793 PTNUECSGCXKUAD-CQSZACIVSA-N 356.448 0.229 0 40 FCAB CC(=O)NCc1cncc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 257249957 JKJPFEHMDUWIGB-CQSZACIVSA-N 350.404 0.362 0 40 FCAB Cc1c(CCC(=O)N(C)C[C@@]2(O)CCN(c3cnccn3)C2)cnn1C 257257230 KOQSYIVQRMVMRQ-SFHVURJKSA-N 358.446 0.551 0 40 FCAB CN1CC[C@@H](CNC(=O)N2CCC(C)(N3CCOCC3)CC2)CC1=O 528024494 CXRUKZDGKPISNK-OAHLLOKOSA-N 352.479 0.751 0 40 FCAB COC(=O)CCc1nnc(NC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4OC)s1 554255239 QCDMEWUROSJCJL-XSYNQRDESA-N 366.443 1.531 0 40 FCAB O=C(NC[C@H]1CO[C@@H]2CN(S(=O)(=O)C(F)(F)F)C[C@H]12)c1ccco1 575406360 XGBDAEORBUYNPE-IQJOONFLSA-N 368.333 0.806 0 40 FCAB O=C(COc1ncccn1)N1CCOC[C@](O)(COc2ccccc2)C1 585275906 AVNNMEVDKPVIOO-SFHVURJKSA-N 359.382 0.524 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 1142529224 KTTBHGKNYNCXQT-HNNXBMFYSA-N 364.467 0.944 0 40 FCAB O=C(c1cccnc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1405804 MZMFVIGSTYMSHD-UHFFFAOYSA-N 356.407 0.989 0 40 FCAB COc1ccc(COC[C@H](O)CNCCCN2CCOCC2)cc1OC 5831190 XLGSGRPLHGIPDA-QGZVFWFLSA-N 368.474 0.893 0 40 FCAB CC(=O)O[C@@H]1[C@@H](CF)O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 8698335 NGYYXVXMDLMRLI-RGDJUOJXSA-N 350.295 0.039 0 40 FCAB in-vitro Nc1nc(N)nc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)n1 9514175 DZHMDXUDLDXBJV-UHFFFAOYSA-N 359.415 0.894 0 40 FCAB C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc2c(c1)OCCO2 12794083 LQRGEVMTUZEJRP-LLVKDONJSA-N 369.381 0.779 0 40 FCAB CCN(C(=O)[C@@H](C)OC(=O)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 14239631 INNXWUPMFYWQRZ-VXGBXAGGSA-N 358.416 0.872 0 40 FCAB COC(=O)[C@@H](CCSC)NC(=O)[C@H](C)n1nnc2ccccc2c1=O 71335297 XZDAPIRGMYYAOY-GXFFZTMASA-N 364.427 0.763 0 40 FCAB O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)C1CC1)N1CCCC1 96057963 SWANBBRGITYCAR-SQWLQELKSA-N 358.460 0.349 0 40 FCAB Cn1cc(S(=O)(=O)NCC(C)(C)c2cccs2)c(=O)n(C)c1=O 114499007 GTVAYWOGYSIEKY-UHFFFAOYSA-N 357.457 0.402 0 40 FCAB O=C(O)c1ccc(NCCCO)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 217498565 PLPGMUNOKGBMEN-LBPRGKRZSA-N 358.416 0.636 0 40 FCAB Cc1noc(C)c1C(=O)N1Cc2ccnn2[C@H](CNS(C)(=O)=O)C1 252005100 OGAOFBHIDNZPIP-GFCCVEGCSA-N 353.404 0.234 0 40 FCAB O=C(CCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1)NC1CC1 252482329 DCZSQCRZPQXGGQ-UHFFFAOYSA-N 365.455 0.870 0 40 FCAB Cc1cc(-c2nccnc2C[C@@H]2CCN(S(=O)(=O)N(C)C)C2)[nH]n1 257242585 IDFHSMDZRIWOEF-LBPRGKRZSA-N 350.448 0.846 0 40 FCAB O=C(CN1CCN(c2ccnc(N3CCOCC3)n2)CC1)N1CCCCC1 498873340 FPOAEOBFPLUEKQ-UHFFFAOYSA-N 374.489 0.448 0 40 FCAB CCN(CC)C(=O)N1CCN(S(=O)(=O)c2cccnc2C(=O)O)CC1 566852941 DGRNQKTWUCRRAB-UHFFFAOYSA-N 370.431 0.548 0 40 FCAB Cn1c(=O)sc2cc(S(=O)(=O)NC(=O)c3cccnn3)ccc21 585270179 AHOFEJAYOZSSQY-UHFFFAOYSA-N 350.381 0.509 0 40 FCAB Cc1cccc(C[C@@]2(CO)CN(C(=O)COc3ncccn3)CCO2)c1 585276294 GAYPCLGQBUUPDE-IBGZPJMESA-N 357.410 0.996 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@@H](NC(=O)C1CC(F)(F)C1)CC2 1565555690 NTPNVYMMBBFLCM-NSHDSACASA-N 356.373 0.736 0 40 FCAB COc1cc(C(=O)N[C@H]2CCOC[C@]23CC(C(=O)NC(C)C)=NO3)on1 2055793398 XNZQUTUZQTUPLT-BLLLJJGKSA-N 366.374 0.242 0 40 FCAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)NC(=O)NCc1ccco1 3315382 ZCCFXMXRXKRLFH-AWNIVKPZSA-N 367.383 0.585 0 40 FCAB CCN(CC)C(=O)CN(C)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 7591491 VTHDMYFKCOMKHS-UHFFFAOYSA-N 370.400 0.820 0 40 FCAB CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1Cl 7738303 JMFIBTYNACPGTL-UHFFFAOYSA-N 356.791 0.926 0 40 FCAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCN(CC(=O)N(C)C)CC2)c1C 24712982 XHLRWBDLHDUYRQ-UHFFFAOYSA-N 364.446 0.654 0 40 FCAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(CC(N)=O)cc3)ccc21 32096878 PLQKVGDCRFYPLB-UHFFFAOYSA-N 361.379 0.960 0 40 FCAB NC(=O)[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc(-n3cnnn3)cc2)C1 75590271 LJFGXHMUXZZCRD-OAHLLOKOSA-N 362.393 0.896 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(=O)c1ccoc1)CCN(C(=O)N(C)C)C2 96036221 AWZMSKPOCGDXRF-GOSISDBHSA-N 362.430 0.958 0 40 FCAB O=CN1CCN(c2c(NC[C@@H]3CCCN4CCCC[C@H]34)c(=O)c2=O)CC1 100794934 ZJZHSBOUQQQGLJ-LSDHHAIUSA-N 360.458 0.237 0 40 FCAB biogenic COc1ccc(NC(=O)C(=O)NCCN2CCC(O)CC2)c(OC)c1 206609537 CFOFSAIPHKABNZ-UHFFFAOYSA-N 351.403 0.215 0 40 FCAB COc1ccc(O[C@@H]2CCN(C(=O)Cn3cnc(C)c(C)c3=O)C2)nn1 225437856 YXGLPWGOPAGDLI-CYBMUJFWSA-N 359.386 0.339 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cncc(-c3cncn3C)n2)CC1 257238105 HJPXWEAIUZNIIP-UHFFFAOYSA-N 364.475 0.938 0 40 FCAB CCCCN(C)S(=O)(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 265377377 FBDBQKUWMGODKR-UHFFFAOYSA-N 354.476 0.884 0 40 FCAB COc1ccc(C(=O)CN(CCN)[C@H]2CCS(=O)(=O)C2)cc1OC 575420518 BKXDIICLMUUUAX-ZDUSSCGKSA-N 356.444 0.334 0 40 FCAB O=C1CC(C(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)CC(=O)N1 575606014 JBKKZQFPIXFYAF-AWEZNQCLSA-N 364.423 0.428 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)C1CCN(c2cc3c(nn2)CCC3)CC1 585150293 JWPTXNVJWGIYRE-AWEZNQCLSA-N 364.471 0.485 0 40 FCAB Cc1cccc(CN(CCC(C)C)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1 643913308 QEVPOTQHFHYEJN-OMQSBVIBSA-N 367.486 0.686 0 40 FCAB C[C@@H](Cc1ccccc1)C(=O)NC[C@]1(c2nccn2C)NC(=O)NC1=O 1616035208 RCOACFJQVHOMLH-KPZWWZAWSA-N 355.398 0.450 0 40 FCAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 1579830 JMDKBDALNFZTOV-PWSUYJOCSA-N 352.343 0.736 0 40 FCAB Cc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1C 7234861 PPRJPQMDOABGSG-UHFFFAOYSA-N 352.420 0.502 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CSc2ncnc3ccsc23)CC1 8940216 QQCWXQRQSPJUGR-UHFFFAOYSA-N 372.497 0.887 0 40 FCAB C/C=C/Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CCOC)n(C)c1=O 10387128 NYWMWLUOQSJQHN-NNNHXZLVSA-N 360.418 0.876 0 40 FCAB CCCCSc1nnc(NC(=O)Cn2c[n+](N[N+](=O)[O-])cn2)s1 12410840 UBSAJQJNAYTTGC-UHFFFAOYSA-O 359.417 0.288 0 40 FCAB Cc1cc(C)n2nc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)nc2n1 14228522 IMQHRYGNUCMJGM-NSHDSACASA-N 374.426 0.880 0 40 FCAB NC(=O)NC(=O)CCN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 14252844 JJKOLPOKFDDTOB-UHFFFAOYSA-N 372.422 0.107 0 40 FCAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nc(CNC)cc(NC)n1 19759681 XWAGXOPSGUIGEP-CYBMUJFWSA-N 356.496 0.961 0 40 FCAB CCN(CC)CCNC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 22704640 MSNMAADLVGQOTG-UHFFFAOYSA-N 353.419 0.640 0 40 FCAB COC(=O)CCNC(=O)c1nc(COc2ccccc2NC(C)=O)no1 40287999 KUKNTKYPYQQKBR-UHFFFAOYSA-N 362.342 0.900 0 40 FCAB COCCN(CC(N)=O)S(=O)(=O)c1cc(Br)ccc1F 58186198 LCMQYFWEXXIOIX-UHFFFAOYSA-N 369.212 0.711 0 40 FCAB CC[C@@](C)(NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)C(=O)OC 58316646 SUQUPJRKYSTKDU-QGZVFWFLSA-N 368.386 0.639 0 40 FCAB Nc1nccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)n1 71762438 IMDRVGMXVWXQCQ-IAGOWNOFSA-N 372.448 0.960 0 40 FCAB COc1cc2c(cc1OC)CN(C(=O)CNC(=O)c1cnccn1)CC2 79194115 PUSFGNGKWMVJPQ-UHFFFAOYSA-N 356.382 0.809 0 40 FCAB biogenic CCNC(=O)CNS(=O)(=O)c1cc(N(C)C)ccc1Br 89977420 GGBSUKCSOOURAJ-UHFFFAOYSA-N 364.265 0.930 0 40 FCAB COC(=O)[C@@H](O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 95453150 KJEZRGXEAJLTEW-STQMWFEESA-N 352.387 0.903 0 40 FCAB C[C@H](CN1CCOCC1)NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1 95999947 IYULHCXUYBNEIZ-CQSZACIVSA-N 367.471 0.151 0 40 FCAB Cc1cnc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc1 96066686 WOWKQNHKANHXJP-UHFFFAOYSA-N 355.446 0.469 0 40 FCAB Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(Cc4cnn(C)c4)C3)C2)cn1 96225939 LXERCWHKOSOFEW-SFHVURJKSA-N 369.429 0.556 0 40 FCAB O=S(=O)(C1CC1)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96226589 QXNORIPOZTYBQE-HNNXBMFYSA-N 356.423 0.779 0 40 FCAB COC(=O)C1=NN[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 100061769 JFTSJZNBEXVZNC-DTWKUNHWSA-N 352.144 0.439 0 40 FCAB CN(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 101665506 WGLSQUXKZSPXCH-CYBMUJFWSA-N 357.451 0.904 0 40 FCAB CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)c1cnc(C2CC2)nc1 257314140 UVMIUPQYSPQKKF-SFHVURJKSA-N 354.414 0.857 0 40 FCAB Cc1nc(C)c(CCC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)c(O)n1 330411466 LJZPMPNXNJMCAG-GXTWGEPZSA-N 370.475 0.566 0 40 FCAB Cn1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](O)C3)c[nH]2)n1 521396886 PIHWZKPDJWDIOQ-JTQLQIEISA-N 353.404 0.146 0 40 FCAB Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 548910580 RKPMZVJJLCSVNI-CQSZACIVSA-N 360.462 0.794 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccco2)n2cccn2)C1=O 575612958 DVFHXKUGVFCTPX-LLVKDONJSA-N 367.387 0.472 0 40 FCAB CN1C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)C(=O)N1 583847773 NDDSAVKJMJTODJ-AWEZNQCLSA-N 365.455 0.625 0 40 FCAB COCCNC(=O)Cn1ccn2nc(-c3cccc(OC)c3)cc2c1=O 1888986176 UAILZDALNKFHDN-UHFFFAOYSA-N 356.382 0.934 0 40 FCAB CCN=c1cc(C)nc(N2CCN(c3ncnc4c3ncn4C)CC2)[nH]1 1889139013 KCXLSXQYTKYTQU-UHFFFAOYSA-N 353.434 0.642 0 40 FCAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)Cn2ccnn2)CC1 2055750573 GDUFVOSUDMGLAF-UHFFFAOYSA-N 372.429 0.506 0 40 FCAB NC(=O)c1cc(NC(=O)CSc2nnc3ccccn23)cc(C(N)=O)c1 6638443 YMTRZRYXMHBIDP-UHFFFAOYSA-N 370.394 0.658 0 40 FCAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)CC(=O)NC(C)(C)C 7661082 MTRFLTONZZFETJ-OAHLLOKOSA-N 363.458 0.733 0 40 FCAB C[C@H](NC(=O)c1ccccc1-n1cnnn1)c1ccc(S(N)(=O)=O)cc1 9315619 CTHIDYDWVBBYPV-NSHDSACASA-N 372.410 0.801 0 40 FCAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2=NNC(=O)CC2)c1 9376847 KQMVPHMFSXUPII-UHFFFAOYSA-N 352.416 0.968 0 40 FCAB O=C(O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9576335 JZLIJTLWXMSJSB-UHFFFAOYSA-N 360.819 0.942 0 40 FCAB Nn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1C1CC1 9631330 HBKBNSKYWIZZPJ-UHFFFAOYSA-N 368.444 0.248 0 40 FCAB Cc1cc(=O)n2nc(NCCc3ccc(S(N)(=O)=O)cc3)sc2n1 12766164 AVGBMSVMHVVDNC-UHFFFAOYSA-N 365.440 0.761 0 40 FCAB CS(=O)(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 16847641 XQVRPQOGUVOSDN-UHFFFAOYSA-N 367.427 0.411 0 40 FCAB COc1ccc(S(=O)(=O)NCc2cc(=O)[nH]c(N3CCCC3)n2)cc1 19557173 PJHLFKOHHAPKFC-UHFFFAOYSA-N 364.427 0.857 0 40 FCAB C[C@@H](OC(=O)CN1CSCC1=O)C(=O)Nc1ccc2c(c1)OCCO2 22504558 FBAOTIDHPSKGGS-SNVBAGLBSA-N 366.395 0.861 0 40 FCAB C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1C[C@@H](C)O[C@H](C)C1 26461807 JMSJMFSDAUITHP-MCIONIFRSA-N 369.487 0.490 0 40 FCAB CCCn1nnnc1CN1CCN(S(=O)(=O)c2ccccc2)CC1 30569832 PKSMFMIUHUWNQJ-UHFFFAOYSA-N 350.448 0.590 0 40 FCAB O=C(Cn1c(=O)ncc2c1cnn2[C@@H]1CCS(=O)(=O)C1)c1ccccc1 32616632 CCYFQGYQYXTNKQ-CYBMUJFWSA-N 372.406 0.836 0 40 FCAB NC(=O)Cn1c(C2CC2)nn(CN2CCN(c3ncccn3)CC2)c1=S 32916192 NJXHBLGAPAMXET-UHFFFAOYSA-N 374.474 0.346 0 40 FCAB COCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccs2)CC1 34887456 WIGSVJLCSVRQQQ-LBPRGKRZSA-N 361.489 0.206 0 40 FCAB CN(C)c1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cn1 46166322 VUJGRTQNIWKIGW-CQSZACIVSA-N 352.460 0.093 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)cc1 48276116 GLWHNAPETMIYIZ-UHFFFAOYSA-N 355.803 0.648 0 40 FCAB CCNC(=O)CN1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1 65591826 NGKOEOFSRAIPRQ-UHFFFAOYSA-N 374.485 0.413 0 40 FCAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(C)CC3)nc2N)cc1 71772047 QWHHZGPERIULBS-UHFFFAOYSA-N 363.443 0.652 0 40 FCAB CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(c1ccsc1)C(=O)CO2 96078344 RMJADMICGFVKMJ-MRXNPFEDSA-N 353.444 0.271 0 40 FCAB O=C(Cn1cnnn1)N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 97512916 HAFZDHWWALGHDN-UHFFFAOYSA-N 374.470 0.988 0 40 FCAB O=C(C[C@@H]1C(=O)Nc2ccccc21)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 106162254 KRSIHALREXQXQL-ZVZYQTTQSA-N 373.453 0.966 0 40 FCAB COc1ccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)cc1 239309224 HIJHNNAKJPQRND-UHDSXZAQSA-N 367.398 0.816 0 40 FCAB O=C(c1ccc2c(c1)OCO2)N1CCN(C2CCS(=O)(=O)CC2)CC1 245053633 PDXDFAZXBYMFOS-UHFFFAOYSA-N 366.439 0.750 0 40 FCAB CCS(=O)(=O)NCC[C@H]1CCOC12CN(c1cc(N(C)C)ncn1)C2 248155269 YVWFKOXRCYOOGQ-ZDUSSCGKSA-N 369.491 0.467 0 40 FCAB Cn1nccc1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1 257262043 LJUUUGZMTHFUPF-KRWDZBQOSA-N 355.442 0.551 0 40 FCAB CCn1cc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)cn1 306143237 XWXMTMCIBLIUMU-UONOGXRCSA-N 355.446 0.691 0 40 FCAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCCO)cc1 408591070 IHEMBHSKWGBSTH-CYBMUJFWSA-N 358.460 0.887 0 40 FCAB Cn1cnc(C(=O)N2CC3(C[C@@H](OCC(=O)N4CCCC4)CS3)C2)c1 575404275 RJHUTJDYUPOPQJ-CYBMUJFWSA-N 364.471 0.759 0 40 FCAB CCN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1cc(C)c(C)cc1C 575424011 QYYUFKHSKGNOGU-KGLIPLIRSA-N 361.485 0.780 0 40 FCAB C[C@@H]1OCCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)[C@@H]1C(F)(F)F 622985118 LSZQPIOEIPZRPW-PXPCFYJTSA-N 372.343 0.972 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)O)s1 629306811 KTRRVFXQGOKEIX-SECBINFHSA-N 368.383 0.867 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(C(=O)Cn2cc(Br)cn2)C1 644036420 OCOFYVJCRBGKBV-CYBMUJFWSA-N 359.224 0.135 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CCO1 681943732 ODBKXZFSXKXZOA-ZBFHGGJFSA-N 369.462 0.411 0 40 FCAB Cc1ncn(CC(=O)NCCn2nc(C(F)(F)F)ccc2=O)c(=O)c1C 1888906406 KDTBPZXAMASPCG-UHFFFAOYSA-N 371.319 0.252 0 40 FCAB CCC(=O)N1CCC(N=c2ccn(C)[nH]2)(C(=O)NCc2ccco2)CC1 2055746094 JRYWWMFCOPCULD-UHFFFAOYSA-N 359.430 0.935 0 40 FCAB Cc1cc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)n2ncnc2n1 2086889453 DATHCJXCPVVYTI-GFCCVEGCSA-N 350.448 0.826 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 6829058 SBJNMSCTFMWMOU-OSRDXIQISA-N 366.439 0.740 0 40 FCAB O=C(Nc1ccccc1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 8940920 ZSTLGFIEYKVGLW-ZDUSSCGKSA-N 351.428 0.797 0 40 FCAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCCCCC2)n1 9037105 OIHCYDAPNUAMNL-UHFFFAOYSA-N 358.402 0.914 0 40 FCAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N2CCC(O)CC2)c1OC 13248429 NEIXUGVHKHXTMA-ONEGZZNKSA-N 371.411 0.947 0 40 FCAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C3=NNC(=O)CC3)ncc2C1 19018432 OJVXVUZYZCUQLG-HNNXBMFYSA-N 370.413 0.311 0 40 FCAB CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3ccc(F)c(F)c3)N21 20634712 ISFZSURMSOXOJZ-SNVBAGLBSA-N 368.365 0.915 0 40 FCAB COc1cccc(C(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)c1O 21828385 LGLUBOZEMXAITO-LLVKDONJSA-N 350.371 0.637 0 40 FCAB CS(=O)(=O)N1C[C@H](C(=O)NCCCn2ccnc2)Oc2ccccc21 30751709 VLZRQFYJOWWYCZ-OAHLLOKOSA-N 364.427 0.617 0 40 FCAB COc1ccc(OC)c(CN2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)c1 32346258 UEYYBVMCHRREIF-UHFFFAOYSA-N 374.441 0.956 0 40 FCAB COc1cc(C(=O)NCCc2cnn(C)c2)cc(Cl)c1OCC(N)=O 40135070 VWXGZVFHDZJDHY-UHFFFAOYSA-N 366.805 0.919 0 40 FCAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCC[C@H](NS(C)(=O)=O)C1 48262756 NRMBMAXRCBQEAO-STQMWFEESA-N 357.480 0.805 0 40 FCAB O=C(CCNC(=O)c1ccc(-n2cnnn2)cc1)NCc1cccnc1 58175116 VSBSCZIIWFVARD-UHFFFAOYSA-N 351.370 0.494 0 40 FCAB Cc1oncc1C(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C 96050310 FQQBKXVMVJRFLF-SFHVURJKSA-N 355.398 0.941 0 40 FCAB CC(=O)NC[C@H]1O[C@H](Cc2cc(CN3CCOCC3)on2)CC[C@@H]1O 96296043 SBKPDLLGKNRRDA-BHYGNILZSA-N 353.419 0.094 0 40 FCAB biogenic,in-vitro CCOC(=O)N(CCNC(=O)c1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O 217365039 WPKZPHYJOUWOMY-UONOGXRCSA-N 370.427 0.033 0 40 FCAB CC(=O)NCc1ccnc([C@H]2CN(C(=O)c3c(C)noc3C)CCO2)n1 257269215 MPAWKJLJOPDWTJ-CQSZACIVSA-N 359.386 0.931 0 40 FCAB CCN1C(=O)C[C@H](C(=O)N(C)Cc2nncn2C)[C@H]1c1cnn(C)c1C 614875820 OPDNVRMEGPIMBL-LRDDRELGSA-N 359.434 0.425 0 40 FCAB COC1(CC(=O)N2CCOC[C@@]3(C2)CN(CC2CC2)C(=O)CO3)CCC1 1565546446 BMALJXCYHAAORH-LJQANCHMSA-N 366.458 0.812 0 40 FCAB Cc1ccc(C[C@]2(CO)CN(CC(=O)Nc3nonc3C)CCO2)cc1 1615083072 SAJCQSNWZSQDCB-GOSISDBHSA-N 360.414 0.931 0 40 FCAB CN([C@@H]1CCCN(c2ncnc3c2cnn3C)C1)S(=O)(=O)C1CC1 2086889492 ITSFFJWOWGKMBQ-LLVKDONJSA-N 350.448 0.756 0 40 FCAB OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 4257486 MRPKNNSABYPGBF-VYHVBIQSSA-N 357.370 0.050 0 40 FCAB biogenic,in-vitro COC(=O)[C@H]1[C@H](C(=O)OC)Sc2cc(NC(C)=O)ccc2N1C=O 4649168 DJYPKTFRFVQWLC-CHWSQXEVSA-N 352.368 0.797 0 40 FCAB CCC(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 6011113 NQQSZGZVAIWRDF-LBPRGKRZSA-N 370.427 0.988 0 40 FCAB NC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)CC1 6669530 BTXHOLUIPZMXSY-CYBMUJFWSA-N 359.382 0.287 0 40 FCAB CN(C)CCCn1c(=O)n(CC(=O)O)c(=O)c2c3c(sc21)CCC3 6759939 WHJKCIIVSRYVLH-UHFFFAOYSA-N 351.428 0.750 0 40 FCAB CCOc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCC(=O)O 6965062 LUSFJDGSUZPRGW-UHFFFAOYSA-N 350.352 0.463 0 40 FCAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(-n3cnnn3)cc1)C2=O 8747745 YIUUBTUTYVROIP-UHFFFAOYSA-N 369.385 0.808 0 40 FCAB O=C(COc1ccc(F)cc1F)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 12930141 STEXEMFNSAQBJM-ZDUSSCGKSA-N 374.409 0.675 0 40 FCAB O=C(NCCO)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 13731363 IMRVFTMMQJTLLP-UHFFFAOYSA-N 355.394 0.706 0 40 FCAB CNC(=S)NNc1nc(N2CCCCC2)nc(N2CCOCC2)n1 13945825 UBWBDMJLMDUNAQ-UHFFFAOYSA-N 352.468 0.119 0 40 FCAB COc1ccc(NC(=O)C[C@@H]2SC(NC(=N)N)=NC2=O)c(OC)c1 20102080 UELUQESFDRFWHF-JTQLQIEISA-N 351.388 0.513 0 40 FCAB C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1nnc2ccccn12 22422303 ZAZSNXRQIQFQKD-JTQLQIEISA-N 352.358 0.050 0 40 FCAB COC(=O)c1sccc1S(=O)(=O)NCCNC(=O)c1ccco1 24443237 ITARFYJGTCRDHY-UHFFFAOYSA-N 358.397 0.836 0 40 FCAB CCc1nc(N2CCN(C(=S)NC(C)=O)CC2)c2c(n1)c(C)nn2C 28559444 JGDXAOGQVBWHBN-UHFFFAOYSA-N 361.475 0.777 0 40 FCAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)OCC(=O)NCC(F)(F)F 32928515 UFLHKDAYIPWGHL-UHFFFAOYSA-N 358.294 0.379 0 40 FCAB COc1cccc(N2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CC2)c1 38488402 TYCCNDDGOFSELP-UHFFFAOYSA-N 358.398 0.272 0 40 FCAB CCc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)o1 40082200 UGEFUPUTUIISHK-LBPRGKRZSA-N 354.428 0.561 0 40 FCAB COc1ccc(CNC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cn1 45636213 KBLOJAXXRDFLDY-CVEARBPZSA-N 364.446 0.627 0 40 FCAB Nc1cc(=O)[nH]c(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 49468845 JLWOGAILSKMVFA-UHFFFAOYSA-N 364.427 0.158 0 40 FCAB CCNC(=O)COc1ccc(CN2C(=O)[C@@H](C)NC2=S)cc1OC 55178980 LXRQLDADSPHELC-SNVBAGLBSA-N 351.428 0.815 0 40 FCAB COc1cc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc(OC)c1OC 58088934 XLSMVGRDCLJYOJ-GFCCVEGCSA-N 372.443 0.866 0 40 FCAB CCOC(=O)CCC(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1 77148455 WPBVHZSCGFRCRM-UHFFFAOYSA-N 350.419 0.966 0 40 FCAB Cn1cc(C(=O)NCc2cn3c(n2)CN(C(=O)c2ccoc2)CC3)cn1 96059516 VADMVBNVVCHOIC-UHFFFAOYSA-N 354.370 0.796 0 40 FCAB CC1=NN(c2cccc(Cl)c2)C(=O)[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 101901900 GADXBLNSNVIWEB-AAEUAGOBSA-N 369.830 0.982 0 40 FCAB COc1cccc(N(CCCC(=O)NCCN(C)C)S(C)(=O)=O)c1 224614555 QGNJCYUAOKKCRH-UHFFFAOYSA-N 357.476 0.919 0 40 FCAB O=C(Cc1ccc2c(c1)OCO2)NCCn1c(=O)[nH]c2ccsc2c1=O 225806104 RWEUJHKOQQJYHU-UHFFFAOYSA-N 373.390 0.839 0 40 FCAB COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)NCCCO 227150951 JVDYBNQLPMPVRL-UHFFFAOYSA-N 356.444 0.982 0 40 FCAB CS(=O)(=O)N1CCC(N2CCOC[C@@H](Cc3ccncn3)C2)CC1 257256009 KJSHECMOSMTRSC-AWEZNQCLSA-N 354.476 0.392 0 40 FCAB CN(C)c1cncc([C@@H]2CCCN2C(=O)C2CN(S(C)(=O)=O)C2)n1 257262251 LKSMIJIDIFWZRO-ZDUSSCGKSA-N 353.448 0.098 0 40 FCAB CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](O)[C@@](O)(CN2CCCCC2)[C@H](O)C1 257340268 ZFHBWQSRGHABTM-YPGZOORISA-N 358.479 0.955 0 40 FCAB COc1ccc(CC(=O)N2C[C@H]3OC[C@@H](CNS(C)(=O)=O)[C@H]3C2)cc1 306142532 XCFHTIRJSJPYNM-FVQBIDKESA-N 368.455 0.260 0 40 FCAB O=C(O)c1ccc(S(=O)(=O)NCC(=O)N2C[C@H]3CCC[C@@H]3C2)cc1 539568738 BHZOVZZWKBFUCZ-CHWSQXEVSA-N 352.412 0.922 0 40 FCAB CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)c2ccc(=O)n(C)c2)n1 547694841 PQKRELZPFDMXIY-KBPBESRZSA-N 374.420 0.588 0 40 FCAB Cc1ccc(S(=O)(=O)NCCN[C@@]2(C)CCS(=O)(=O)C2)cc1C 575423844 RPYAZUQVXTUTIX-HNNXBMFYSA-N 360.501 0.749 0 40 FCAB COc1ccc(CCNC(=O)C[C@@H]2CS(=O)(=O)CCN2C)cc1F 644337577 XCUCQQDEPVTHLZ-CYBMUJFWSA-N 358.435 0.612 0 40 FCAB Cc1noc([C@H]2CN(C3CN(C(=O)c4cnn(C5CC5)c4)C3)CCO2)n1 685942636 QCPDRIYDUNNPMS-OAHLLOKOSA-N 358.402 0.807 0 40 FCAB Cn1c(O)nc(N2CCN(C(=O)Cc3noc4ccccc34)CC2)cc1=O 1565519139 FBWQOZAWOGPBFB-UHFFFAOYSA-N 369.381 0.518 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(C)=O)CCN(C(=O)CCc1cncnc1)C2 1614930922 AOBYWSJMYOAGNB-LJQANCHMSA-N 373.457 0.339 0 40 FCAB O=C([C@@H]1CN(Cc2nnc(C(F)(F)F)o2)CCO1)N1CCOCC1 1889111403 OKGNAEGSJPFJTB-VIFPVBQESA-N 350.297 0.148 0 40 FCAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)c3cccnc3)C2)n(C)n1 2332241570 HYDQDXGYWIRPOH-IACUBPJLSA-N 351.432 0.494 0 40 FCAB COc1ccc(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)c(OC)c1 4249395 QBYVQUQRXIBHRL-UHFFFAOYSA-N 371.397 0.993 0 40 FCAB CC12C=C(Cl)C(Cl)([C@H](C(=O)O)[C@@H]1C(=O)O)[C@@H](C(=O)O)[C@H]2C(=O)O 4611552 GAUWFYWDNGIVSY-AZLILRRJSA-N 367.137 0.923 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2cnc3scc(C)n3c2=O)CC1 6349932 AHIWUYSLBSZRIO-UHFFFAOYSA-N 350.400 0.979 0 40 FCAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCOc1ccccc1 8993882 WKDGRCKXFOCTIM-UHFFFAOYSA-N 368.187 0.494 0 40 FCAB CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NC)c(=O)[nH]c1=O 9950650 ORXCYTKCWGULID-UHFFFAOYSA-N 367.450 0.434 0 40 FCAB O=C(Cn1cnnn1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12918693 LNVUDXGBVRXVBH-UHFFFAOYSA-N 356.342 0.530 0 40 FCAB CCc1cc(C(=O)NCCCn2cccn2)c2c(=O)[nH]c(=O)n(C)c2n1 19714559 JPBQIQCBRMLZBV-UHFFFAOYSA-N 356.386 0.201 0 40 FCAB CCONC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 22874240 DQGMENWGJXXGRC-AWEZNQCLSA-N 358.416 0.828 0 40 FCAB CCNC(=O)[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 24832106 IVSAIKYRHOKCLO-CYBMUJFWSA-N 355.460 0.565 0 40 FCAB CC(C)C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)N(C)C 40135572 BTRCEOWDRGYEBU-CYBMUJFWSA-N 356.448 0.958 0 40 FCAB CNS(=O)(=O)c1ccc(CCC(=O)NCCCn2ccnc2)cc1 47339924 ALEPJJPSWFYLLX-UHFFFAOYSA-N 350.444 0.930 0 40 FCAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 65565436 VFMBPNLYFRGHHS-BARDWOONSA-N 359.492 0.457 0 40 FCAB CC[C@@H](C(=O)NCCOC)n1nc2c(-c3nc(C)no3)cccn2c1=O 75166029 XBQFDOMGDAILMW-LBPRGKRZSA-N 360.374 0.568 0 40 FCAB O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)C1 96005465 YSTIJNKJNFSYMJ-AWEZNQCLSA-N 367.475 0.646 0 40 FCAB O=C(c1cnccn1)N1CCC[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1 96047103 UVXSNEDDUDLYPU-INIZCTEOSA-N 350.444 0.897 0 40 FCAB O=C(N[C@@H]1CN2CCOC[C@@H]2[C@H]1OCc1ccccn1)c1ccccn1 96068924 TXEAVYUVLSVYHM-KURKYZTESA-N 354.410 0.875 0 40 FCAB CS(=O)(=O)NCC[C@@]12CCO[C@@H]1CCN(C(=O)c1cscn1)C2 96207251 DEBUWVSAMVZMJO-OCCSQVGLSA-N 359.473 0.704 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2ccnnc2)C[C@@]2(CC(=O)N(C)C2)C1 97952772 IEFVEUSZQYBVAK-SFHVURJKSA-N 374.445 0.201 0 40 FCAB O=C(CN1C(=O)CCC1=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206841065 DUGAKUXHDULJMB-ZDUSSCGKSA-N 370.365 0.811 0 40 FCAB CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)O)CC1 247722339 BLKNOEDDSJAVEH-LPWJVIDDSA-N 359.492 0.579 0 40 FCAB biogenic CCS(=O)(=O)CCN1CC2(C[C@H](Oc3nccc(C)n3)CCO2)C1 253479199 PGGOWERAUDVHJM-CQSZACIVSA-N 355.460 0.832 0 40 FCAB C[C@H]1O[C@@H](c2cccc(F)c2)C[C@@](O)(CNC(=O)c2ccncn2)[C@@H]1O 257221440 DPALFIBLQAYSDW-NFBAFIMDSA-N 361.373 0.988 0 40 FCAB CC(=O)Nc1cccc([C@@H]2CN(C(=O)CO)C[C@]23CCCCC(=O)N3)c1 257241592 HYQDLCQDEQFDTQ-QFBILLFUSA-N 359.426 0.992 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)CCn2ccnc2)C1 257299034 ROKKJCRBGMQRCY-LBPRGKRZSA-N 351.432 0.806 0 40 FCAB CCS(=O)(=O)NC[C@H]1CN(Cc2cc(C)nn2C)Cc2cncn21 306140375 URKVRYZLURMRHT-HNNXBMFYSA-N 352.464 0.421 0 40 FCAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1 408602849 JLAWOWKBXWRVOM-UHFFFAOYSA-N 374.459 0.533 0 40 FCAB CC(C)S(=O)(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CCO2)C1 575405040 QQZUVSLYVHRHLK-CQSZACIVSA-N 360.476 0.597 0 40 FCAB CCS(=O)(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@@H]1C 585096641 XECPKNRXDICGBH-LBPRGKRZSA-N 363.443 0.934 0 40 FCAB Cc1ncnc(N2C[C@H]3CN(S(=O)(=O)c4cnn(C)c4)C[C@H]3C2)c1C 585618246 PPEKHRMJADPIHX-OKILXGFUSA-N 362.459 0.584 0 40 FCAB Cc1nc(N2C[C@H]3CN(c4ncnc5[nH]cnc45)C[C@@H]3C2)nc(O)c1F 1888919424 IMRWNMFWRXBRIR-NXEZZACHSA-N 356.365 0.869 0 40 FCAB COc1ccc(N2C[C@@H](NC(=O)N3CCC(O)CC3)CC2=O)cc1OC 4374561 YIIKQBCMWQDELE-LBPRGKRZSA-N 363.414 0.975 0 40 FCAB CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 4504840 PIXOYOBFUFNKQK-ZDUSSCGKSA-N 374.484 0.586 0 40 FCAB CCOCCOCCOC(=O)COCC(=O)OCCOCCOCC 4995542 WYYCSZJEQURTHC-UHFFFAOYSA-N 366.407 0.196 0 40 FCAB CC(=O)OC[C@@H]1O[C@@H](n2cc[nH]c2=S)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5423732 HRGXUZGRRGADBL-QNWHQSFQSA-N 358.372 0.870 0 40 FCAB Cc1c(CC(=O)N2CCC(C(N)=O)CC2)c(=O)oc2cc(O)cc(O)c12 6073335 MVWLLIPZETXRBD-UHFFFAOYSA-N 360.366 0.779 0 40 FCAB biogenic C[C@@H](NC(=O)CSc1nc(N)nc(N)n1)c1ccc2c(c1)OCCO2 6879899 QKRSAZOTVMBZNQ-MRVPVSSYSA-N 362.415 0.777 0 40 FCAB Cc1cc2nc(COC(=O)CN3C(=O)c4ccccc4C3=O)cc(=O)n2o1 9686017 MNMZHUXPRVLJSI-UHFFFAOYSA-N 367.317 0.935 0 40 FCAB COC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9880843 YJZQQGQGXGPCJM-UHFFFAOYSA-N 359.379 0.015 0 40 FCAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)CN3C(=O)CCC3=O)cc2n1 12276512 JTDRDCMHURCMND-CYBMUJFWSA-N 371.397 0.810 0 40 FCAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 12526984 NLLDKJMVSBDASB-UHFFFAOYSA-N 374.422 0.763 0 40 FCAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(NC(=N)N)=NC2=O)cc1 13637676 WRYRAJDSTZOHMC-JTQLQIEISA-N 363.399 0.673 0 40 FCAB O=S(=O)(c1cccc(F)c1)N1CCN(c2ccc3nncn3n2)CC1 13847656 BDCMNLYUZCSASE-UHFFFAOYSA-N 362.390 0.774 0 40 FCAB Cn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3cnn(C)c3)n2)cn1 17076204 XXXPDWUZNIQPDC-UHFFFAOYSA-N 372.414 0.655 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)c1cnn(-c2ccccc2)c1N 19021342 JRRTUMRSXZUGNM-OAHLLOKOSA-N 355.398 0.764 0 40 FCAB CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(S(C)(=O)=O)C2 19498848 PNQOHLXVSVERKR-ZDUSSCGKSA-N 368.459 0.551 0 40 FCAB CCN1CCN(C2CCN(C(=O)c3cc(OC)nc(OC)n3)CC2)CC1 19528136 DFFAMWYUPSHWDP-UHFFFAOYSA-N 363.462 0.736 0 40 FCAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 22246616 QFZURSSWMZOOIB-ZYHUDNBSSA-N 367.427 0.621 0 40 FCAB COc1ccc(NC(=O)C[C@H](C(=O)O)N2CCN(C)CC2)c(OC)c1 22585035 ICHVSBBVVJZYED-CQSZACIVSA-N 351.403 0.733 0 40 FCAB O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(CCO)CC1 22664614 JQJHGJRCZNCARJ-CQSZACIVSA-N 366.849 0.765 0 40 FCAB CCCn1c(N)c(C(=O)CN(C)Cc2ccccc2OC)c(=O)[nH]c1=O 57381134 MCDZJMBTTDTTRV-UHFFFAOYSA-N 360.414 0.852 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(Cc3nccn3C)CC2)cc1 70948450 HSPMJSAQJWBJSP-UHFFFAOYSA-N 350.444 0.935 0 40 FCAB CN1CCO[C@H](C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)C1 76092666 ZBGVRWFZCIGEAC-INIZCTEOSA-N 367.471 0.287 0 40 FCAB CN1CCO[C@H]2CN(CC(=O)Nc3ccc(N4CCOCC4)cc3)C[C@@H]21 79109536 LVTKZRKCMDISSK-ROUUACIJSA-N 360.458 0.477 0 40 FCAB CCCC[C@H](C(=O)N1CCC(NC(N)=O)CC1)N1CCCS1(=O)=O 89950157 IHIJANXZFDPIIC-CYBMUJFWSA-N 360.480 0.240 0 40 FCAB O=C(NCc1ccco1)C1=NO[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1 96225894 AUDXMUIHMSWJFT-OAHLLOKOSA-N 353.400 0.609 0 40 FCAB Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NCC(=O)NCC(=O)O 96231325 BJKFCXQZNALINA-UHFFFAOYSA-N 364.789 0.898 0 40 FCAB Cn1c(=O)c2c(nc(SC3C(=O)CC(C)(C)CC3=O)n2C)n(C)c1=O 100314814 ULFFHPPMQIOWNA-UHFFFAOYSA-N 364.427 0.390 0 40 FCAB CC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3c(C)noc3C)[C@H]2O)CC1 257297916 RJIFEGFPIDSEEZ-IIAWOOMASA-N 350.419 0.077 0 40 FCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)c3ncc[nH]3)CC2)CC1 257298832 RNLDTSGPVGBQNJ-GOSISDBHSA-N 363.462 0.367 0 40 FCAB CCNC(=O)NC[C@@H]1CC[C@]2(COCCN(Cc3cnn(CC)c3)C2)O1 306137009 QIVHSWUIAWLHIF-WMZOPIPTSA-N 365.478 0.972 0 40 FCAB O=C(O)[C@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CCO1 574963659 ADAPMPKYHUIYID-SNVBAGLBSA-N 355.290 0.901 0 40 FCAB CN(CCn1ccnn1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585593930 OUMYGCMJIOKKIF-UHFFFAOYSA-N 353.434 0.804 0 40 FCAB O=C(N=c1cc[nH]cc1Br)N1C[C@@H](O)[C@H](n2ccnn2)C1 626468846 ZAVSSFDHZWFMOH-GHMZBOCLSA-N 353.180 0.307 0 40 FCAB CNc1cnc(C(=O)NCC2(NC(=O)c3cnc(NC)cn3)CCC2)cn1 626987517 KCSBBTBUVYNUSD-UHFFFAOYSA-N 370.417 0.433 0 40 FCAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1614927406 PAGXLHLYUGOAMQ-GOSISDBHSA-N 374.445 0.927 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)Cc2cccs2)CC1 2055745874 KENSYSWEQQBGRN-UHFFFAOYSA-N 361.471 0.665 0 40 FCAB O=C(c1ccncn1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782277 ZJDIQKGIJFNDSY-UHFFFAOYSA-N 354.414 0.831 0 40 FCAB CCOC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(=O)OC 4517203 ZDQASLCCJRSPPO-GOSISDBHSA-N 358.350 0.627 0 40 FCAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)C2=COCCO2)o1 5240477 JOFPIWYEENUVAB-UHFFFAOYSA-N 351.340 0.967 0 40 FCAB O=C(C[C@@H]1O[C@H](CNC(=O)Nc2cccc(F)c2)[C@@H](O)[C@H]1O)NC1CC1 8624428 BTJUZUDGKAQUKN-LQKXBSAESA-N 367.377 0.105 0 40 FCAB biogenic,in-vitro C[C@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1 8706304 JKSDFDGMJXFURX-NSHDSACASA-N 374.445 0.171 0 40 FCAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)[C@H](C)n3cncn3)nc12 12146376 SJTDEIWFFPMVHX-ZDUSSCGKSA-N 365.397 0.927 0 40 FCAB CCOC(=O)C1=C(COC(=O)c2c(C)cc(=O)oc2C)NC(=O)NC1 12880266 GEBKOXULXQVGNI-UHFFFAOYSA-N 350.327 0.543 0 40 FCAB O=C(CN1C(=O)Cc2ccccc2C1=O)N1CCN(c2ccccn2)CC1 14200589 VVWRNQPPHLPXOC-UHFFFAOYSA-N 364.405 0.955 0 40 FCAB Cc1ccc(NC(=O)[C@H](C)OC(=O)CC[C@H]2NC(=O)NC2=O)c(F)c1 25385617 UCORCWLTOXLRMQ-JOYOIKCWSA-N 351.334 0.993 0 40 FCAB COC(=O)N1CCN(CCNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 44227119 MXEVLKYKDZEKOD-HWKANZROSA-N 361.398 0.929 0 40 FCAB Cn1ccnc1[C@@](O)(CC(=O)NCCN1CCOCC1)C(F)(F)F 48363430 VFEYZZVNTNKTDA-ZDUSSCGKSA-N 350.341 0.009 0 40 FCAB O=C(NCC1CCN(C(=O)c2ccncc2)CC1)C(=O)Nc1ccon1 70893118 JENRRALDRUGMCO-UHFFFAOYSA-N 357.370 0.677 0 40 FCAB CCOC(=O)[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)C(C)(C)C 75108324 UOUYVALTJYSBIG-CQSZACIVSA-N 356.444 0.971 0 40 FCAB C[C@@H](C(N)=O)N1CCN(C(=O)CCC(=O)N[C@H](C)c2ccccc2)CC1 89905523 WODDMQPGKVBMMI-CABCVRRESA-N 360.458 0.662 0 40 FCAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(S(=O)(=O)C1CC1)C2 96237682 LQLVZZYPPNISML-HNNXBMFYSA-N 355.485 0.963 0 40 FCAB O=C(CSc1nc(O)cc(=O)[nH]1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100764581 ZIMRYGMCZYKLBF-QWRGUYRKSA-N 374.422 0.375 0 40 FCAB biogenic CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3ccoc3)CCC[C@]2(C(=O)O)C1 107201568 VFDRZCVALPIEFZ-WFASDCNBSA-N 356.400 0.478 0 40 FCAB O=C(c1ncn[nH]1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225544993 RQSBRLMITHNZIK-UHFFFAOYSA-N 371.376 0.913 0 40 FCAB Cn1cccc(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1=O 225600702 WCMQIFKACGADDM-UHFFFAOYSA-N 369.425 0.516 0 40 FCAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(C)CC1 408703284 QSHJGOJKIVDGJZ-UHFFFAOYSA-N 367.471 0.867 0 40 FCAB COc1ccc(C(=O)CNCCN[C@H]2CCS(=O)(=O)C2)cc1OC 575424632 UVBKUIPGMJZACV-ZDUSSCGKSA-N 356.444 0.253 0 40 FCAB NC(=O)NC(=O)CCNCCNC(=O)c1cccc(Br)c1 578740551 MHZZUVOYQLXEMK-UHFFFAOYSA-N 357.208 0.354 0 40 FCAB Cn1ccc(CC(=O)N2Cc3nccn3C[C@@H](CN3CCOCC3)C2)n1 585110685 QDYSYLOWEXJDFM-OAHLLOKOSA-N 358.446 0.150 0 40 FCAB CC(C)CN1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C1 643583801 AMAVTQBMMLODJD-ONCXSQPRSA-N 367.486 0.803 0 40 FCAB C[C@@H]1[C@H](C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CCN1C 648769470 WAKZFLORKGOHNC-CZUORRHYSA-N 359.474 0.740 0 40 FCAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H]1COc2ccc(F)cc2C1 664916061 MHEWKLWAXMWPBS-OUCADQQQSA-N 358.391 0.240 0 40 FCAB Cn1cncc1CN1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@@H]2C1 1549160302 CRUGSRJDGUFUPB-INIZCTEOSA-N 373.457 0.828 0 40 FCAB Cc1cc(C(=O)N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)nn1C 1888879375 IPMPXQHULRWMKW-CHWSQXEVSA-N 366.429 0.614 0 40 FCAB O=S1(=O)N=C(N2C[C@H]3CN(Cc4ncon4)C[C@@H]3C2)c2ccccc21 1888930385 PBMOMAVVJHSFAU-VXGBXAGGSA-N 359.411 0.582 0 40 FCAB COCCNC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1ccncc1OC)C2 2055782033 AFIWHSBTTJMEGO-CRAIPNDOSA-N 363.414 0.474 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCCC2)cc1 4287381 LSMRYVXBGDQKJQ-UHFFFAOYSA-N 354.428 0.781 0 40 FCAB Cc1noc(NS(=O)(=O)c2ccc(NC(=N)NC(=N)N)cc2)c1C 4809422 ORMCJUYTRHMMPH-UHFFFAOYSA-N 351.392 0.922 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCO)C2)cc1 6736604 WOMTZADLWAHMDR-CYBMUJFWSA-N 356.444 0.595 0 40 FCAB CCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 7976542 DLWYVGBLXBPGFH-UHFFFAOYSA-N 354.476 0.635 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCCN(c3ccc4nnnn4n3)CC2)cc1 8851489 QTYDZBANYWMCNZ-UHFFFAOYSA-N 373.442 0.729 0 40 FCAB O=C(CN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1)NC1CC1 10516244 UNCOAWDURGTOKQ-UHFFFAOYSA-N 359.398 0.550 0 40 FCAB Cc1ccc(C)c(OC[C@@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 12629504 RNKBGUWUPXZURK-ZDUSSCGKSA-N 358.398 0.490 0 40 FCAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(C(=O)N(C)C)CC1 12747927 BBIJKXCLJTXZMA-JTQLQIEISA-N 352.460 0.974 0 40 FCAB Cc1nn(CN2CCN(S(=O)(=O)N(C)C)CC2)c(=O)c2ccccc12 26649029 NUZKNOPHJPJMLU-UHFFFAOYSA-N 365.459 0.086 0 40 FCAB Cc1ccn2c(=O)c(C(=O)N3CCN(c4cnccn4)CC3)cnc2c1 40108669 FBQUDVKPCJKZDW-UHFFFAOYSA-N 350.382 0.755 0 40 FCAB O=C1CCC(=O)N1CCN(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 58356148 JVBKMKHIKMGBPH-LBPRGKRZSA-N 356.469 0.886 0 40 FCAB CC[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CCN1CC(F)F 95980271 NYWLNZLZHSZFMK-NEPJUHHUSA-N 353.435 0.598 0 40 FCAB Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(C[C@@H]4CCOC4)C3)C2)cn1 96074556 ADCBHCQOIVUQIB-KBXCAEBGSA-N 359.430 0.659 0 40 FCAB Cn1ccnc1CN1CCOC[C@]2(C1)CN(c1cccnc1)C(=O)CO2 96078323 XWYWRFMHBACTEH-SFHVURJKSA-N 357.414 0.450 0 40 FCAB COc1cc2c(N)nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)[nH]c-2cc1=O 206499914 SJKBVIWBQFXGFG-AWEZNQCLSA-N 373.413 0.293 0 40 FCAB in-vitro O=C(NCCN1CCCC1=O)c1cccc(N2CCCCS2(=O)=O)c1 224395551 BQSVKNKRQRDPMY-UHFFFAOYSA-N 365.455 0.969 0 40 FCAB CN(C)[C@H]1[C@H](NS(=O)(=O)N(C)C)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257248931 JFVYRMYJKOPVKF-KBXIAJHMSA-N 361.439 0.033 0 40 FCAB CN(C)c1ncc2c(n1)[C@@H]1CN(S(C)(=O)=O)C[C@@H]1N(CC1CC1)C2 306130336 JCWKHFPUMNTTAJ-KGLIPLIRSA-N 351.476 0.496 0 40 FCAB O=C(CC1CC1)NC[C@H]1CO[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]12 575402721 BEBSWROBUBTOIV-NUEKZKHPSA-N 365.455 0.633 0 40 FCAB CO[C@@H]1CN(C(=O)CNS(C)(=O)=O)C[C@]12C[C@@H](c1ccccc1)CO2 585293972 FUEGMABLNSIMDW-BFYDXBDKSA-N 368.455 0.336 0 40 FCAB O=C(N[C@]12CCC[C@H]1CN(C(=O)c1cc(C3CC3)[nH]n1)C2)c1cnn[nH]1 1007765075 YQXZSKKPAMITDQ-GTNSWQLSSA-N 355.402 0.830 0 40 FCAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)C1 1684721448 RVLYYHWWIMBLTH-XDQVBPFNSA-N 359.492 0.933 0 40 FCAB CCN(C(=O)CSc1nnc2ccccn12)[C@@H]1CCS(=O)(=O)C1 3336684 ZTLXJMGSTKVYOO-LLVKDONJSA-N 354.457 0.857 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nncs2)cc1 6542594 NCAMEIGFLLTPRO-UHFFFAOYSA-N 358.470 0.637 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)NN1C(=O)NC2(CCCCC2)C1=O 8263040 WFVGLJGMXSOJGR-UHFFFAOYSA-N 358.354 0.880 0 40 FCAB O=C(Nc1nc(=S)[nH][nH]1)C(=O)[C@H]1C(=O)Nc2ccccc2[S@]1=O 17214757 HKGYJZNTRDWZLP-FHOATMSYSA-N 351.369 0.103 0 40 FCAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn(OCC(N)=O)c3c2)C1 24983569 GBMVCOHKONCAJU-PHIMTYICSA-N 367.431 0.012 0 40 FCAB C[C@@H]1O[C@@]12C[C@@H](C)[C@@](C)(O)C(=O)OCC1=CCN3CC[C@@H](OC2=O)[C@@H]13 30727123 IAPHXJRHXBQDQJ-WKMWQDDRSA-N 351.399 0.404 0 40 FCAB biogenic,in-vitro CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC(=O)N2CCCCC2)C1 46460856 YBYYRMXLBRTOTQ-OAHLLOKOSA-N 373.519 0.957 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1c2ccccc2C[C@H]1O 89510313 IAFWEYLXAKJEPQ-ZBFHGGJFSA-N 352.398 0.640 0 40 FCAB CC(C)N1CCC[C@H](N2CCN(S(=O)(=O)c3cccnc3)CC2)C1=O 95963670 XFGWOLPNESDWEA-INIZCTEOSA-N 366.487 0.787 0 40 FCAB Cc1noc(-c2cccn3c(CNC(=O)c4cccn(C)c4=O)nnc23)n1 225747219 GIJUCHSCRGZGSZ-UHFFFAOYSA-N 365.353 0.716 0 40 FCAB CNC(=O)[C@@H]1CNCCN1C(=O)c1cccc(Nc2cc(C)nc(C)n2)c1 257331385 XSQAOWNCLBBAMR-INIZCTEOSA-N 368.441 0.997 0 40 FCAB C[C@@H]1CCN(C(=O)NCc2ncccc2S(C)(=O)=O)C[C@@H]1C(=O)O 567609504 MPALBEJHFWDEFS-MNOVXSKESA-N 355.416 0.737 0 40 FCAB CCCN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1COC[C@@H](O)[C@H]1O 643585367 CRMBYFUBQBSYFS-KURKYZTESA-N 359.426 0.904 0 40 FCAB COc1ccc(N2Cc3nn(CC(=O)N4CCCC4)c(=O)n3C2=O)cc1 1547200963 DSDXTLMWYKYHRQ-UHFFFAOYSA-N 357.370 0.664 0 40 FCAB COc1cc(C(=O)N2C[C@H]3OC[C@@H](CC(=O)N4CCCCO4)[C@H]3C2)on1 1565547712 RRGVLBABIIIBEX-YRGRVCCFSA-N 365.386 0.714 0 40 FCAB CC(C)N1CCC(N2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)CC1 1615120095 KICUBLHQHIYJJV-IRXDYDNUSA-N 359.536 0.720 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cnc[nH]5)C[C@H]4C3)nn12 1888904355 CVZOREJTGYCOHT-VXGBXAGGSA-N 352.402 0.618 0 40 FCAB COCCCNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713351 DDGPVYMHWPHMDZ-ZDUSSCGKSA-N 350.419 0.071 0 40 FCAB COc1ccc(N2C[C@H](NC(=O)N3CCN(C(C)=O)CC3)CC2=O)cc1 4373630 ORENMEARZLIHMO-CQSZACIVSA-N 360.414 0.674 0 40 FCAB Cn1c(=O)c2c(SCC(N)=O)nc(Cc3ccccc3)nc2n(C)c1=O 12321415 ONTZSFBYNKRFAV-UHFFFAOYSA-N 371.422 0.195 0 40 FCAB COCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(C(C)=O)CC3)nc21 19743026 QLXKLLSTRDIIFY-UHFFFAOYSA-N 360.414 0.468 0 40 FCAB CC(=O)Nc1nc2ncc([C@@H](OC(C)=O)[C@H](C)OC(C)=O)nc2c(=O)[nH]1 22047323 LGFCDAMAYHYAKC-QTTZVWFDSA-N 363.330 0.227 0 40 FCAB in-vitro O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CC(=O)N(Cc2ccco2)C1 25990158 SITQVPXEFCLVEX-LBPRGKRZSA-N 374.397 0.914 0 40 FCAB Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)/C=C\C(=O)O)c(C)c1 32665849 XKBKHHJCSGPFCJ-GXMNPTEKSA-N 359.382 0.600 0 40 FCAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C 32769787 VQHAXEXVRLGWDH-UHFFFAOYSA-N 367.471 0.638 0 40 FCAB O=C(CNC(=O)C1CCCC1)NCC(=O)N1CCN(c2ccccc2)CC1 58202552 MQCGCYLXUQECFC-UHFFFAOYSA-N 372.469 0.758 0 40 FCAB O=C(O)c1c[nH]c(=O)n(-c2ccc(I)cc2)c1=O 78401826 PJLYLVAMOWYTAA-UHFFFAOYSA-N 358.091 0.829 0 40 FCAB O=C(Nc1cnn(CCN2CCOCC2)c1)N1CC[C@@H](N2CCCC2)C1 80155117 INKOQSPFQPMKFU-QGZVFWFLSA-N 362.478 0.917 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)c2cnccn2)C[C@@]2(CC(=O)N(C)C2)C1 96036071 MXKPQIPEKPWWRD-GOSISDBHSA-N 359.430 0.266 0 40 FCAB O=C(N[C@@H]1CN2CCOC[C@@H]2[C@@H]1OCc1ccccn1)c1ccccn1 96068923 TXEAVYUVLSVYHM-KZNAEPCWSA-N 354.410 0.875 0 40 FCAB COc1cc(N2C[C@H]3OCCN(S(=O)(=O)C4CC4)C[C@H]3C2)ncn1 96108051 GWEQVNLFJWJWGM-DGCLKSJQSA-N 354.432 0.114 0 40 FCAB O=C1COC(=O)N1[C@H]1CCN(S(=O)(=O)CCCOc2ccccc2)C1 225704141 MUIUUDVAEFFDJD-ZDUSSCGKSA-N 368.411 0.838 0 40 FCAB C[C@@]1(O)CN(C(=O)CCc2cccnc2)CC[C@H]1n1ccc(O)nc1=O 257211872 CAWPTMPWDNSGMN-RDTXWAMCSA-N 358.398 0.501 0 40 FCAB O=C(c1ccncc1)N1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1 306142207 WSXKEZGAXHOWPX-LSDHHAIUSA-N 367.409 0.470 0 40 FCAB Cn1cc(CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)nn1 331588150 BUKBOGNXEDUBLG-CYBMUJFWSA-N 353.423 0.897 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCO)C1 408713516 FLWMBTTXYGNIFS-LLVKDONJSA-N 360.407 0.344 0 40 FCAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(C(=O)c3ccnc(F)c3)[C@H]2C1 585108269 LDEIMDKUAWWMQW-QEJZJMRPSA-N 365.405 0.945 0 40 FCAB O=C(Cc1ccccc1)N1CC[C@](O)(CNCCc2ccccn2)[C@@H](O)C1 585284567 LVFRZXADEDLNKI-FPOVZHCZSA-N 369.465 0.781 0 40 FCAB O=C(/C=C/CN1CCOCC1)N1CCO[C@](CO)(Cc2ccccc2)C1 585290504 DWJDYSRHBQUNEI-WWPOYFSUSA-N 360.454 0.707 0 40 FCAB Cc1ccc(OCC2CCN(C(=O)c3cnc(O)n(C)c3=O)CC2)nn1 1775995461 XDRLWFZXMLUOIG-UHFFFAOYSA-N 359.386 0.516 0 40 FCAB COc1nn(C)cc1C(=O)NCC1(N2CCSCC2)CCOCC1 1888842607 YBIPRHPGHUYKEL-UHFFFAOYSA-N 354.476 0.757 0 40 FCAB Cc1cc(C(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)c(C)o1 1889090344 HMPSADWGXNBUHI-UHFFFAOYSA-N 360.414 0.693 0 40 FCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2ccccn2)CC1 2055745905 OPPCXGNHEXXINU-UHFFFAOYSA-N 372.473 0.446 0 40 FCAB O=C(NC1CCCC1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243279 XHOHLEIOAOQMLJ-AWEZNQCLSA-N 368.459 0.403 0 40 FCAB CC[C@H](C)N(C(=O)COC(=O)c1nccnc1N)[C@H]1CCS(=O)(=O)C1 5231190 KJPYLAVGBNYOSE-QWRGUYRKSA-N 370.431 0.030 0 40 FCAB CS[C@]1(CO)C(=O)N2[C@H]3C(=CC=C[C@@H]3O)C[C@@]2(SC)C(=O)N1C 5599818 OVBAGMZLGLXSBN-UOVKNHIHSA-N 356.469 0.027 0 40 FCAB biogenic,in-vitro CC[C@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 9367283 GRKONHIZVWQTJZ-CYBMUJFWSA-N 369.425 0.744 0 40 FCAB O=C(NCCCn1ccnc1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 9708569 AJFFNVHSJVAAQV-UHFFFAOYSA-N 367.409 0.863 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1 10602086 AJONCBYLZUNMKW-UHFFFAOYSA-N 369.399 0.082 0 40 FCAB O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 11660855 PCZJKIDDWWPBLT-ZDUSSCGKSA-N 352.412 0.890 0 40 FCAB Cc1ccc(OC[C@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 12629512 LTIDIQYWDCYLRG-CYBMUJFWSA-N 358.398 0.490 0 40 FCAB Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)NC(=O)NCc1ccco1 12727861 XPKDEFCWWBCQBU-UHFFFAOYSA-N 362.342 0.382 0 40 FCAB CCN1CCN(C2=N[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2)CC1 13730959 VLCINKKYJMQTRH-OAHLLOKOSA-N 359.430 0.516 0 40 FCAB C[C@H]1Cc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O 17637218 OMVDCQYRILOTKX-GXFFZTMASA-N 372.468 0.314 0 40 FCAB CNc1nc([C@@H]2CCCN(C(=O)CNC(C)=O)C2)nc2c1CN(C)CC2 19711479 SAMXKGXAQJCHBC-CYBMUJFWSA-N 360.462 0.348 0 40 FCAB Cc1ccc2c(C)nc(NC3=NCN(N4CCN(C)CC4)CN3)nc2c1 20634304 VKGRWZXINZYXPZ-UHFFFAOYSA-N 354.462 0.997 0 40 FCAB COC(=O)[C@@H](C)N(C(=O)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 32641367 QXUBNKIWNCCCMV-RISCZKNCSA-N 357.403 0.945 0 40 FCAB COc1ccc(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)c(OC)c1OC 39995462 CCIAMGCGQBPNIP-MRXNPFEDSA-N 357.428 0.948 0 40 FCAB CN(C)CCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 44910146 IGJLNPFGVQSCFB-ZDUSSCGKSA-N 361.851 0.545 0 40 FCAB COC(=O)CCNC(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 58291648 DKILCOZWYIECCI-LSDHHAIUSA-N 371.393 0.940 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC(C(=O)NC(C)C)CC1 58330668 AZHUGPLYMQOXPW-UHFFFAOYSA-N 373.461 0.629 0 40 FCAB CCNC(=S)N1CCN(CCNC(=O)C(=O)Nc2ccccc2)CC1 59483669 IDNHUFPFTMBSTR-UHFFFAOYSA-N 363.487 0.253 0 40 FCAB CCOC(=O)C1CCN(C(=O)[C@H](C)NC2CCN(CCOC)CC2)CC1 76046903 SFVDBXYLCZYOHA-HNNXBMFYSA-N 369.506 0.877 0 40 FCAB O=C(c1ccccn1)N1CCCn2c(nc(Cn3cncn3)cc2=O)C1 96059630 CFYHRRVKZNFPJA-UHFFFAOYSA-N 351.370 0.324 0 40 FCAB CC(=O)Oc1ccc(N2C(=O)[C@H]3C(c4cnn(C)c4C)=NO[C@H]3C2=O)cc1 101493048 SHWSNVAIEFXHPY-GOEBONIOSA-N 368.349 0.946 0 40 FCAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCN(C)C)cc1OC 223875276 ZFYPHQQMIZDYSZ-UHFFFAOYSA-N 359.448 0.002 0 40 FCAB O=C1CCCC(=O)N1CCS(=O)(=O)N1CC(Oc2cccnc2)C1 238812257 AOZLDZAGVKELQJ-UHFFFAOYSA-N 353.400 0.014 0 40 FCAB COc1cccc(CN2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)c1 257344967 ZZKJTUIJTTWNJN-MJGOQNOKSA-N 357.410 0.428 0 40 FCAB Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CCCN(S(C)(=O)=O)CC1 333540527 ZSSMUNCHTSXDTM-CYBMUJFWSA-N 371.463 0.771 0 40 FCAB C[C@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1C(=O)c1cnccn1 585097482 KJMCQEBCLREKOT-ZDUSSCGKSA-N 370.413 0.291 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2cn3ccccc3n2)CCO1 681941791 GRHNBKGGTQQNPL-OAHLLOKOSA-N 374.397 0.037 0 40 FCAB O=C(CN1CCc2ccccc2C1=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942551 SNAQXOXNNZRDGV-JKSUJKDBSA-N 356.382 0.371 0 40 FCAB O=C(/C=C/c1cccs1)N1C[C@H]2ON=C(C(=O)N3CCOCC3)[C@H]2C1 1565544815 SGZRCYBZQVTWHM-PUWCWTCHSA-N 361.423 0.833 0 40 FCAB CC1(C)S[C@@H]2[C@@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)O 1530774 BPLBGHOLXOTWMN-OUCADQQQSA-N 350.396 0.697 0 40 FCAB biogenic,investigational C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NC(C)(C)C 3380678 PCXLNGLGJBYTKS-JTQLQIEISA-N 367.427 0.572 0 40 FCAB O=C(NC1CCCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 7779541 ISDCZPAHEWGPQG-ZDUSSCGKSA-N 355.460 0.991 0 40 FCAB Cc1ccc(C(=O)Nc2nncn2C)cc1S(=O)(=O)N1CCOCC1 8329222 MPEZVTOQBVAYCI-UHFFFAOYSA-N 365.415 0.397 0 40 FCAB O=C(CCNS(=O)(=O)c1ccccc1)NCc1nnc2ccccn12 8393845 WBQUJWNSQFRYAS-UHFFFAOYSA-N 359.411 0.714 0 40 FCAB O=C(c1cccnc1)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 12321205 RZJBGNCFZNJSNA-UHFFFAOYSA-N 373.394 0.765 0 40 FCAB COc1ccc(CN(C)CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)cc1 14094195 ISNDABGXJJXTTM-UHFFFAOYSA-N 358.398 0.777 0 40 FCAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccncc1 20722563 OMCPKTDHERFZCI-OAHLLOKOSA-N 352.394 0.981 0 40 FCAB CCOC(=O)[C@H]1CSCCN1C(=O)c1cccc(S(=O)(=O)NC)c1 40050209 PJKQWODSJJXITK-CYBMUJFWSA-N 372.468 0.715 0 40 FCAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(-n3cncn3)nc1)CS2 40108117 ZOGTVXNRZNPHHX-MLGOLLRUSA-N 358.427 0.733 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CCC(Cn3ccnc3)CC2)CC1 62017606 PRZHXFZMJZUTNV-UHFFFAOYSA-N 354.476 0.793 0 40 FCAB Nc1cc(=O)[nH]c(SCC(=O)NCc2ccc3c(c2)OCCCO3)n1 75448685 IRHKAUGCWQZDRQ-UHFFFAOYSA-N 362.411 0.922 0 40 FCAB CC[C@H](C)[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(N)=O 89942175 KSRUENRNYILXKD-ZANVPECISA-N 362.473 0.806 0 40 FCAB Cc1ccc(N2C[C@@]3(COCCN(S(C)(=O)=O)C3)OCC2=O)cc1 96078311 SJEOIZSDTHEUIU-INIZCTEOSA-N 354.428 0.389 0 40 FCAB Cn1c(-c2ccccn2)nn(CC(=O)NCc2ccc3c(c2)OCO3)c1=O 206640199 SETGTCMTUGTLFP-UHFFFAOYSA-N 367.365 0.689 0 40 FCAB CCS(=O)(=O)N1CCOC[C@]2(CC[C@@H](Cn3nc(C)nc3C)O2)C1 253492180 OYTAMDDEBSGNLF-GJZGRUSLSA-N 358.464 0.495 0 40 FCAB CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)Cn1cc(Cl)cn1 257214272 CLIWDGRMPLHWDO-OAHLLOKOSA-N 350.810 0.426 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2cncc(-c3ccnn3C)n2)CC1 257237798 HIFNYZYEOCKTPL-UHFFFAOYSA-N 350.448 0.863 0 40 FCAB CCc1nccn1CC(=O)N1CC[C@H]2OC[C@@H](NC)[C@](C)(O)C[C@H]2C1 257277308 NXJYAMOPHNRGLV-LUXYFRNMSA-N 350.463 0.422 0 40 FCAB COCCNS(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408602213 IJKICVRSMFQQBJ-CQSZACIVSA-N 372.443 0.285 0 40 FCAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)NC[C@H]1COCCN1 529288448 FHHXVGXPPNDGMF-JTQLQIEISA-N 358.324 0.536 0 40 FCAB Cc1ccc(OCc2nnc3n2CCN(C(=O)CN(C)C)[C@H](C)C3)cn1 585098245 SMEBLADLDYFJCL-CQSZACIVSA-N 358.446 0.895 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(S(=O)(=O)c2ccc3c(c2)COC3)C1 643695669 WDGYONSVSGKWBS-MRXNPFEDSA-N 354.428 0.369 0 40 FCAB O=C(c1ccccc1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1 643912872 CJNNRKRNYGGWBU-BSDSXHPESA-N 367.442 0.163 0 40 FCAB O=C([C@H]1[C@H]2COC[C@H]21)N1CC[C@H]2C[C@@H](C(=O)N3CCCCO3)O[C@@H]2C1 1565549161 MYHNADWGSXMCBB-KLOLGFOXSA-N 350.415 0.439 0 40 FCAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cncc(O)c5)C[C@H]4C3)nn12 1888888076 RBLJLLIECROODC-ZIAGYGMSSA-N 365.397 0.742 0 40 FCAB CN(C)C(=O)C1(Nc2ccccc2)CCN(C(=O)CS(C)(=O)=O)CC1 2055751416 VASCUYHSWYNBJP-UHFFFAOYSA-N 367.471 0.593 0 40 FCAB COc1cccc(CN2CCO[C@]3(COCCN(S(C)(=O)=O)C3)C2)c1 2055812381 AJHHUWKVNKMYJG-QGZVFWFLSA-N 370.471 0.558 0 40 FCAB CC(C)NC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1 3016165 FJPHHEHFMAIDBU-AWEZNQCLSA-N 369.443 0.065 0 40 FCAB CC(C)N(C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C)C(C)C 4162149 SELMTKNEWWJRPM-UHFFFAOYSA-N 367.475 0.708 0 40 FCAB CC1(C)S[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@H]1C(=O)O 4576926 HCYWNSXLUZRKJX-AVGNSLFASA-N 352.412 0.693 0 40 FCAB in-man O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NN1CCOCC1 5201864 PJLXSSJDXAOAPY-LBPRGKRZSA-N 362.386 0.110 0 40 FCAB COc1ccccc1C(=O)NCC(=O)OCC(=O)N1C[C@@H](C)O[C@H](C)C1 6266185 MOAUVPGJEKGPEW-CHWSQXEVSA-N 364.398 0.604 0 40 FCAB CC(=O)N1C[C@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)Oc2ccccc21 8232962 OBNGTUOSLYPJGY-ZBFHGGJFSA-N 352.412 0.494 0 40 FCAB CCCOc1ccnc2c1c(=O)n(CC(=O)Nc1cc(C)on1)c(=O)n2C 9649801 DLMOCJJKLANHAJ-UHFFFAOYSA-N 373.369 0.819 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2-n2cnnn2)cc1 12391732 VPAFCJYERGOFPQ-UHFFFAOYSA-N 372.410 0.282 0 40 FCAB O=C(NCCNS(=O)(=O)c1cccc2nsnc12)c1ccncc1 12408703 LHQOVMODKFOJIZ-UHFFFAOYSA-N 363.424 0.795 0 40 FCAB COC(=O)[C@H](CCSC)NC(=O)c1csc(S(N)(=O)=O)c1 12873399 OBHKQWPVFVDKBB-QMMMGPOBSA-N 352.459 0.420 0 40 FCAB CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 13096154 YXMWYFVDLLJNGE-AWEZNQCLSA-N 369.487 0.916 0 40 FCAB COc1ccc(Cc2n[nH]c(NCCCN3CCOCC3)nc2=O)cc1 16777361 CTPOEFUHPACCDF-UHFFFAOYSA-N 359.430 0.899 0 40 FCAB OCCN1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 22466324 BDDYDEXOAJPVSR-AWEZNQCLSA-N 359.264 0.799 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1NC1CC1 36589926 WZWHLSVIRMIXSJ-DOMZBBRYSA-N 359.469 0.695 0 40 FCAB COc1ccc(CC[C@@H](C)NC(=O)CN2CCS(=O)(=O)CC2)cc1 58179633 RHLLQEZXHAIANH-CQSZACIVSA-N 354.472 0.863 0 40 FCAB COc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)ccc1C 58217870 TXSNZFSKSIGOSU-CABCVRRESA-N 352.456 0.995 0 40 FCAB CCOC(=O)C[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(OC)c1 71827908 RIBLLQXXTDPLFM-RISCZKNCSA-N 372.443 0.743 0 40 FCAB CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCC(F)F)c1 95959283 MWZBEJIBELUMMZ-UHFFFAOYSA-N 352.359 0.763 0 40 FCAB Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(c4ncccn4)C[C@H]3O2)cn1 96043041 HHWUVJVTKSUOHY-CWRNSKLLSA-N 354.414 0.875 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)c3ncccn3)C2)O1 96206519 DEWZKOAXWDGMGZ-SWLSCSKDSA-N 354.432 0.180 0 40 FCAB Cc1nc2n(n1)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccs1)CC2 171456102 FQOBRRVHRVCPSX-GXSJLCMTSA-N 369.472 0.446 0 40 FCAB COc1ccc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cc1C(N)=O 238854900 JVMASAMGBXDYRJ-UHFFFAOYSA-N 363.399 0.069 0 40 FCAB CN1CCN([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)CC[C@@H]2O)CC1 257264894 LWKVXDOZEWAZPP-GJZGRUSLSA-N 355.870 0.136 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCN1C(C)=O 257312233 UMYGUZYPMUDHCX-INIZCTEOSA-N 372.425 0.232 0 40 FCAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)Cn1cc(Cl)cn1 257318924 VPYXHFZAXOMNMT-OAHLLOKOSA-N 350.810 0.426 0 40 FCAB COc1ncccc1CN[C@@H]1CCOC[C@@]12CC(C(=O)NC1CC1)=NO2 306136156 PLBASBYYAKEPMQ-QAPCUYQASA-N 360.414 0.762 0 40 FCAB CCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1cc(Cl)ccc1C 575425035 DJYNGOSHAWZBGA-NWDGAFQWSA-N 367.876 0.817 0 40 FCAB CO[C@@H]1CN(C(=O)CNS(C)(=O)=O)CC[C@@H]1Cc1cccc(F)c1 585279358 KPXYXRIHHWZHKE-UKRRQHHQSA-N 358.435 0.781 0 40 FCAB Cn1cc(O[C@@H]2CN(Cc3cn(Cc4cccnc4)nn3)C[C@H]2O)cn1 628376244 LPGVMOBPDXIBGR-IAGOWNOFSA-N 355.402 0.079 0 40 FCAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1c[nH]c2ccc(F)cc12 643433101 OTHIQTYZLIFSCU-ZDUSSCGKSA-N 354.359 0.560 0 40 FCAB O=C(Cc1cccc(Cl)c1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 643586177 CWFYQJYUSBFMDQ-INMHGKMJSA-N 354.834 0.147 0 40 FCAB O=C(Cc1ccc(F)cn1)N1CCc2nnc(CN3CCCC3=O)n2CC1 1565549010 LFNUUPRSDHGAIE-UHFFFAOYSA-N 372.404 0.562 0 40 FCAB CCc1nsc(N2C[C@@H](NC(=O)COC)[C@H](c3ccnn3C)C2)n1 1615546678 BJGWYYFSCOTOMW-GHMZBOCLSA-N 350.448 0.569 0 40 FCAB COCCNC(=O)C1(Nc2ccccc2)CCN(S(C)(=O)=O)CC1 2055754642 LRUIBNWHRCCEGP-UHFFFAOYSA-N 355.460 0.655 0 40 FCAB COC(=O)C(=O)c1cc(C)n(C)c(=O)c1CN1C(=O)c2ccccc2C1=O 1729717 PLLJFJNHKUZJLZ-UHFFFAOYSA-N 368.345 0.846 0 40 FCAB O=C(CSc1cn[nH]n1)N1CCN(S(=O)(=O)c2ccccc2)C1 4945295 UUZVJAGFXBYMHM-UHFFFAOYSA-N 353.429 0.387 0 40 FCAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCN(c2ncccn2)CC1 7287523 IGMKZZIPYMFUID-UHFFFAOYSA-N 372.429 0.380 0 40 FCAB Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccc3c(c2)OCO3)n(C)c1=O 12530295 OBCPMQUVQACCAH-UHFFFAOYSA-N 371.353 0.191 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(C=O)CC1 13596058 ANIAGUFGZKLSRI-UHFFFAOYSA-N 365.455 0.694 0 40 FCAB CC(=O)c1ccc(NC(=O)C[C@@H]2N=C(N3CCN(C)CC3)NC2=O)cc1 13726321 ZOALDRCTDNKKHC-HNNXBMFYSA-N 357.414 0.320 0 40 FCAB Cc1cc(C)c(N(C[C@H](O)CN2CCNCC2)S(C)(=O)=O)c(C)c1 23118705 TYTUUFNNBLLDNE-MRXNPFEDSA-N 355.504 0.644 0 40 FCAB CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24755925 CMVSVAJKFVASNP-AWEZNQCLSA-N 374.484 0.769 0 40 FCAB CS(=O)(=O)N1CCCN(C(=O)c2cc(Br)c[nH]2)CC1 24779198 HGIYKUCGWQOYQE-UHFFFAOYSA-N 350.238 0.885 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)c2cnc3ccccn3c2=O)cc1 32899987 BXNOQGPPCIJELP-UHFFFAOYSA-N 358.379 0.272 0 40 FCAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cn1 70017487 QMLPYACFKLVRLI-UONOGXRCSA-N 361.427 0.728 0 40 FCAB COc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(N)=O)c2cc1OC 71282886 YMETVWZDTRBJPV-UHFFFAOYSA-N 355.350 0.655 0 40 FCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 76280139 BVZOMRKTLSIBTM-HNNXBMFYSA-N 362.455 0.955 0 40 FCAB CC1(C)C[C@H](NC(=O)[C@H]2CCCN(c3ccc4nnnn4n3)C2)CCO1 95474911 XJRFCQROCVMSNF-QWHCGFSZSA-N 359.434 0.810 0 40 FCAB O=C(O)Cc1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 95971419 HPSJCZPDOIBRRA-UHFFFAOYSA-N 361.379 0.750 0 40 FCAB CS(=O)(=O)N[C@@H]1COCCC12CCN(C(=O)c1cccnc1)CC2 96219494 ZFCSOWBEGZWQKF-CQSZACIVSA-N 353.444 0.642 0 40 FCAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 97020800 HTDZIYPCXVNJRP-DGCLKSJQSA-N 366.447 0.812 0 40 FCAB Cc1nc(C)n(CC(=O)N2CCN(Cc3ccccc3)[C@H](C(N)=O)C2)n1 257314403 UWUABVZIBFZHNY-INIZCTEOSA-N 356.430 0.093 0 40 FCAB CCC[C@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn23)CCN1CCOC 501861520 KMJUQWVTHWCWHN-ZDUSSCGKSA-N 374.445 0.401 0 40 FCAB CCOc1ncccc1C(=O)N1CCOC[C@@](CC(=O)NC)(OC)C1 585281314 VYQMKTHLVXRYRJ-KRWDZBQOSA-N 351.403 0.474 0 40 FCAB Cc1cccc(S(=O)(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1F 625313543 MDRRTIXYLQYHIA-CHWSQXEVSA-N 355.391 0.680 0 40 FCAB CC(=O)N1CCN(c2ccccc2CNC(=O)c2nsnc2O)CC1 1542645992 BXCSDJMFSWALEL-UHFFFAOYSA-N 361.427 0.842 0 40 FCAB CC(=O)Nc1ccccc1C(F)(F)C(=O)NCC(=O)N1CCOCC1 1624172381 WRLJZJZFCQRLHX-UHFFFAOYSA-N 355.341 0.712 0 40 FCAB COc1cnc(N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)nc1 1888899188 XXFITZNJUFZSJU-VXGBXAGGSA-N 352.402 0.735 0 40 FCAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(C(=O)c3cocn3)CC2)[nH]1 2055745899 NNFVDYQVZXEXFQ-UHFFFAOYSA-N 372.429 0.539 0 40 FCAB Cc1ccc(NCC(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1 4878309 BYMUHNPISHYXKO-UHFFFAOYSA-N 353.444 0.706 0 40 FCAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C)CC(=O)NC(C)(C)C 7661080 MTRFLTONZZFETJ-HNNXBMFYSA-N 363.458 0.733 0 40 FCAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O 8546529 MGGIYHLAOOBUCM-OAHLLOKOSA-N 362.367 0.846 0 40 FCAB COCCn1c(C(=O)NCCC(C)C)cc2c(=O)n(C)c(=O)n(C)c21 11835685 UGKHYVDITYHUMP-UHFFFAOYSA-N 350.419 0.461 0 40 FCAB CCn1nnc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)cnc21 13531442 OBAPWICNOBORND-UHFFFAOYSA-N 356.342 0.418 0 40 FCAB COc1cccc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1OC 16378255 CSGFAFHEGMJUAB-CYBMUJFWSA-N 356.444 0.439 0 40 FCAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)C1 24839473 OHQMXQSIHWEPOG-RYUDHWBXSA-N 353.510 0.223 0 40 FCAB CCS(=O)(=O)NCCNC(=O)c1cnn(-c2ccc(F)cc2)c1C 31219374 MPBPQAGLOGCQKL-UHFFFAOYSA-N 354.407 0.989 0 40 FCAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2nccs2)CC1 40033836 CCNVBIKVVFHDJH-UHFFFAOYSA-N 371.422 0.495 0 40 FCAB COc1ccccc1N1C[C@@H](C(=O)N[C@H](C)CN2CCOCC2)CC1=O 46885906 MYDRSSSWCCOBBN-CABCVRRESA-N 361.442 0.885 0 40 FCAB COC(=O)COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1 47497100 REJUFAAPEQMHFX-UHFFFAOYSA-N 371.411 0.766 0 40 FCAB O=C(CN1CCN(c2nnnn2-c2ccccc2)CC1)Nc1nncs1 52579990 SNNVCHOUOSDBNZ-UHFFFAOYSA-N 371.430 0.275 0 40 FCAB COCCn1c(N)c(C(=O)CN2CCc3sccc3C2)c(=O)[nH]c1=O 57438414 WWGMQWDBPOUNQV-UHFFFAOYSA-N 364.427 0.068 0 40 FCAB Cc1noc(C)c1CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 69299517 YEBLKARCDPZBAS-AWEZNQCLSA-N 350.419 0.088 0 40 FCAB Cn1nc(N2CCC[C@@H](C(=O)Nc3ncnc4nc[nH]c34)C2)ccc1=O 75166434 PFYSKOOZWXYQCW-SNVBAGLBSA-N 354.374 0.302 0 40 FCAB CCCC[C@H](COC)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 95960522 GNNNXDOIONGAJR-GFCCVEGCSA-N 357.432 0.594 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@@H]2C1 96208862 XFHPSVPEFSSKJH-UKRRQHHQSA-N 356.419 0.487 0 40 FCAB Cc1cc2nc([C@@H]3CCCCN3C(=O)CNS(C)(=O)=O)ccn2n1 257236422 HCCKCXFQCSJVAT-ZDUSSCGKSA-N 351.432 0.641 0 40 FCAB O=C(NCc1nc(CO)cs1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 332896307 ISAVXBFBUASHKV-KGLIPLIRSA-N 365.455 0.693 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCO1 408556441 COSZRTCFGMGXEL-STQMWFEESA-N 356.444 0.966 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)N1CC(N2C(=O)[C@H]3C[C@H]3C2=O)C1 585387929 TWGLGQRKVYUJIC-PHIMTYICSA-N 354.359 0.212 0 40 FCAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)Nc2cnc(N(C)C)nc2)C1 626456762 POSQNOOIAOEQIL-LLVKDONJSA-N 356.452 0.336 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1ccc2c(c1)COC2 643705052 HXUALCZFSWFQJQ-INIZCTEOSA-N 354.428 0.633 0 40 FCAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H]1COc2ccc(F)cc2C1 664916062 MHEWKLWAXMWPBS-SGMGOOAPSA-N 358.391 0.240 0 40 FCAB O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)c(O)c1 670416468 RJVOADGYHDKRKN-UHFFFAOYSA-N 366.361 0.871 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)CCO1 681941940 IZAFJZFYYKPBRD-LBPRGKRZSA-N 355.778 0.509 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CCO1 681942957 ROKGEMQYMLMERQ-HNNXBMFYSA-N 352.362 0.529 0 40 FCAB C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@]12CCN(CCN1CCCC1)C2=O 1614928543 GHIMDABEGWCJTH-RDTXWAMCSA-N 360.462 0.222 0 40 FCAB O=C(NCc1ccccn1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)[C@@H]2CCOC2)C1 2055772578 YHPBLJBSDQIERR-MUIFIZLQSA-N 359.426 0.740 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ncccn2)CC1 2055781498 LKRJGZGACKCPRI-UHFFFAOYSA-N 358.402 0.067 0 40 FCAB Cc1n[nH]c(C)c1NC(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O 1344780 MTCZWMAGYVEIGG-UHFFFAOYSA-N 364.369 0.956 0 40 FCAB Cc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1 5393018 NCYHIILDKSQWGE-ZCTGUTNYSA-N 357.370 0.490 0 40 FCAB Nc1nc(N)nc(SCC(=O)Nc2ccccc2N2CCCC2=O)n1 9514174 PVOZDOJFQWSQRB-UHFFFAOYSA-N 359.415 0.894 0 40 FCAB C[C@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)NCc1ccccc1 9984313 OCHOEKGEGYBIGG-ZDUSSCGKSA-N 368.455 0.906 0 40 FCAB Cc1ccc(N2C(=O)N(Cc3cc(=O)n(C)c(=O)n3C)C(=O)[C@H]2C)cc1 10498359 HAYADGQGHVAQGX-GFCCVEGCSA-N 356.382 0.750 0 40 FCAB COC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 14186238 AVUZYFJNPBBQQB-VIFPVBQESA-N 357.384 0.854 0 40 FCAB CCN1CCN(C2=NC(=O)C[C@@H](C(=O)Nc3ccc(C(C)=O)cc3)N2)CC1 19528111 CCTQOEPCQCMISU-INIZCTEOSA-N 371.441 0.710 0 40 FCAB COC(=O)c1nnsc1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 20736747 DWZZKAOJNJPRBK-QMMMGPOBSA-N 350.356 0.905 0 40 FCAB CC(C)NC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 22851147 CWMUSTKCUFYJEZ-CQSZACIVSA-N 363.414 0.429 0 40 FCAB COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 25204438 DZTWHVSPFUXYBZ-UHFFFAOYSA-N 355.416 0.037 0 40 FCAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(=O)n(C)c(=O)n3C)o2)n1 27980521 PCTDEGOFHAPEFK-UHFFFAOYSA-N 357.370 0.791 0 40 FCAB CC[C@]1(C)NC(=O)N(NC(=O)CN(C)CCOc2ccccc2F)C1=O 29141212 AIFHJGOJXWDDDA-KRWDZBQOSA-N 366.393 0.888 0 40 FCAB O=C(CSc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCS(=O)(=O)C1 30831799 JBWOSFKMOBPCAJ-SECBINFHSA-N 353.425 0.319 0 40 FCAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccc(Br)cn1 32810074 ULJTYOHHVPCVOP-UHFFFAOYSA-N 367.159 0.736 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1C 38556517 KYQBORARXQVFAT-STQMWFEESA-N 356.444 0.966 0 40 FCAB NC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)CCO1 51712633 STBOHAYZQHSDJV-DOMZBBRYSA-N 350.394 0.548 0 40 FCAB O=C(NCC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1)NC1CC1 54366459 GAGMEWQUJDNDPY-UHFFFAOYSA-N 363.393 0.963 0 40 FCAB CN(C)C(=O)Cn1cc(C(=O)NCCc2ccc(OC(F)F)cc2)nn1 56968240 OMPZCBLBCJCYMQ-UHFFFAOYSA-N 367.356 0.940 0 40 FCAB COC(=O)CCN1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 58209522 AVWCCIHIMLGRNN-UHFFFAOYSA-N 358.402 0.047 0 40 FCAB Cn1cnc(CNC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)n1 92377150 DEPOHQAYGHFSHI-UHFFFAOYSA-N 354.418 0.490 0 40 FCAB O=C(Nc1ccccc1Cl)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 95981275 COACEOVBEYFNLS-UONOGXRCSA-N 373.862 0.647 0 40 FCAB O=C(c1n[nH]c2c1CCCCC2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 96232650 IQMNGZUKMORGQX-ZDUSSCGKSA-N 366.487 0.624 0 40 FCAB CCOc1ccc(-c2noc(CNC(=O)[C@H]3CCS(=O)(=O)C3)n2)cn1 238865823 LTGYSPDYPCMLEO-NSHDSACASA-N 366.399 0.581 0 40 FCAB Cc1ncc(C(=O)N2C[C@@H](O)[C@H](Oc3ccc(CC(=O)O)cc3)C2)cn1 257288932 PWHIWJYGEFIKHK-HZPDHXFCSA-N 357.366 0.676 0 40 FCAB c1nc(N2CCOCC2)cc(N2CCN(c3ncnc4[nH]ncc34)CC2)n1 301331926 ASOODTJMMZEYEB-UHFFFAOYSA-N 367.417 0.306 0 40 FCAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3[C@@H](CCN3C(=O)C3CC(F)C3)O2)cn1 585108469 NIWZGGATSAVVTI-NIVQVHKNSA-N 362.405 0.908 0 40 FCAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCCc2ccccn2)C1 585290769 DXWKRVHUQCSRKI-CTNGQTDRSA-N 369.465 0.781 0 40 FCAB CN(C)C(=O)C[C@]1(O)CCCN(Cc2nn(C)cc2Br)C1 643812656 QHRCNAMYKDHBEU-CQSZACIVSA-N 359.268 0.988 0 40 FCAB CC(C)(NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)O 1588790713 VDIGWSDBQJLWPJ-UHFFFAOYSA-N 362.429 0.696 0 40 FCAB Cc1nc(C(=O)N2CCOC[C@@]3(CN(CC4CC4)C(=O)CO3)C2)cs1 1614929004 BIUIHFSVKFQOML-KRWDZBQOSA-N 365.455 0.932 0 40 FCAB O=C(O)CSCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 3342408 OBBNFKSBGUYBTK-UHFFFAOYSA-N 358.441 0.337 0 40 FCAB CCOC(=O)CNC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 4327728 SVTQNIKYJXHJSD-UHFFFAOYSA-N 372.410 0.958 0 40 FCAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC2CC2)cc1C 4438442 BDCJYINIMTUTLC-GFCCVEGCSA-N 354.428 0.792 0 40 FCAB N[C@@H](Cc1ccc(O)c(-c2cc(C[C@@H](N)C(=O)O)ccc2O)c1)C(=O)O 6091882 OQALFHMKVSJFRR-OKILXGFUSA-N 360.366 0.674 0 40 FCAB biogenic,in-vitro CCOc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1 8112766 IGXYXQCBMYCAOZ-UHFFFAOYSA-N 369.425 0.954 0 40 FCAB CCNC(=O)[C@@H](C)NC(=O)[C@H](NS(=O)(=O)c1cccs1)C(C)C 8328484 PDJSRVDJSIELEK-ZYHUDNBSSA-N 361.489 0.692 0 40 FCAB O=C(CCn1nnn(-c2cccs2)c1=O)NC(=O)NCc1ccccc1 11656895 PJUNAVMONQPOQE-UHFFFAOYSA-N 372.410 0.907 0 40 FCAB COCCn1c(C(=O)Nc2cccnc2)cc2c(=O)n(C)c(=O)n(C)c21 11796824 RVMRHRIUIMKGJP-UHFFFAOYSA-N 357.370 0.332 0 40 FCAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)C(=O)Nc1ccon1 22766505 MNPVFCJTCWJJGL-GFCCVEGCSA-N 350.400 0.864 0 40 FCAB COc1ccc(CN(C)C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1OC 23235585 CIZNPSPGNRYHOL-UHFFFAOYSA-N 361.398 0.980 0 40 FCAB CC[C@@]1(C)NC(=O)N(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)C1=O 26805964 DZOBGSHTIVYCKI-NWDGAFQWSA-N 366.201 0.865 0 40 FCAB Cc1ccc(NC(=O)Cn2c(=O)c(N(C)C)c(N)n(C)c2=O)cc1Cl 32682459 VTDMTLFPJPUMDY-UHFFFAOYSA-N 365.821 0.796 0 40 FCAB CC(=O)c1cn(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c2ccccc12 36369878 RGHVFRATSNVCPV-CQSZACIVSA-N 374.397 0.862 0 40 FCAB biogenic C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 41314695 NPRFNDUOYCTJGH-CYBMUJFWSA-N 354.428 0.568 0 40 FCAB CN1CCN(S(=O)(=O)c2cncc(Br)c2NN)CC1 72210918 PYCGHCKMULLSHD-UHFFFAOYSA-N 350.242 0.066 0 40 FCAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@H]1CN1CCOCC1 80908414 JCMXKCMKYMYHNH-INIZCTEOSA-N 356.430 0.663 0 40 FCAB Cn1ccnc1CN1CCOC[C@@]2(C1)CN(c1cccnc1)C(=O)CO2 96078322 XWYWRFMHBACTEH-GOSISDBHSA-N 357.414 0.450 0 40 FCAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)c1ccnnc1)CC2 96199868 XKJZXRNERBWBTE-OAHLLOKOSA-N 354.414 0.831 0 40 FCAB CCS(=O)(=O)N1CCC[C@@]2(COCCN(c3ncc(F)cn3)C2)C1 96229220 QZRYOLLWNXQHRP-HNNXBMFYSA-N 358.439 0.884 0 40 FCAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)c1cccn1C)C2 96230502 HNSUPLCRVKWONV-IBGZPJMESA-N 353.426 0.983 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCO)CC2)cc1OC 101109036 VKBQXYCYPXPSCE-UHFFFAOYSA-N 372.443 0.213 0 40 FCAB COc1ccccc1CN1CCN(S(=O)(=O)c2cnn(C)c2)CC1 102777918 CBUBBYPSBHRSDZ-UHFFFAOYSA-N 350.444 0.935 0 40 FCAB COc1ccc(S(=O)(=O)NCC(=O)NCc2ccccn2)cc1OC 244473529 ZHWBAAFEGCIJOW-UHFFFAOYSA-N 365.411 0.694 0 40 FCAB Cc1cc(C(=O)N2Cc3cncn3[C@@H](CNS(C)(=O)=O)C2)c(C)o1 247489227 AXXPNGOWOQQIQC-ZDUSSCGKSA-N 352.416 0.839 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccncn1)CC2 247916063 ZNLCDBKDPCGUSP-CYBMUJFWSA-N 368.459 0.237 0 40 FCAB CCc1n[nH]c(C(=O)N2CCC[C@](O)(CN3CCN(C)CC3)CC2)c1C 257277019 NWCYXABPJMEWEQ-LJQANCHMSA-N 363.506 0.885 0 40 FCAB CC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)O)C[C@]2(CCOC2)O1 576588970 WFCWDNOGJMJPMX-ZBEGNZNMSA-N 370.427 0.807 0 40 FCAB Cn1cc(CCN2CCCC3(CCCN(CCc4cn(C)nn4)C3)C2)nn1 625434044 ASVWHECWJJMJML-UHFFFAOYSA-N 372.521 0.907 0 40 FCAB CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)Cc2ccc(OC)c(F)c2)C1 685941593 ZMQSBWPQCZRAJD-AAEUAGOBSA-N 352.362 0.815 0 40 FCAB Cn1c(O)nc(N2CCN(C(=O)Cn3ccc4ccccc43)CC2)cc1=O 1565522595 LDDLSULUXDDHCC-UHFFFAOYSA-N 367.409 0.789 0 40 FCAB Cc1ccc(N2CC(N(C)C(=O)C3CCN(S(C)(=O)=O)CC3)C2)nn1 1888863803 VRTATMOCXISSPU-UHFFFAOYSA-N 367.475 0.104 0 40 FCAB COc1cc(/C=c2\sc3nc(=O)c(C)nn3c2=O)ccc1OC(C)=O 637303 LOEUDPXZHNAWFG-QPEQYQDCSA-N 359.363 0.301 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(SCC(N)=O)n2CCCc1ccccc1 842293 YLVPMUZPYUIFFS-UHFFFAOYSA-N 373.438 0.634 0 40 FCAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCC2=O)cc1C 4438337 ZDVIOWJWEGZEDN-UHFFFAOYSA-N 368.411 0.274 0 40 FCAB CCNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 4569337 JZIBJYISKNQXMJ-ZDUSSCGKSA-N 353.444 0.400 0 40 FCAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 5450042 XHBMKYSLZVXNIF-AWEZNQCLSA-N 373.287 0.861 0 40 FCAB COc1cccc(CN2CCN(C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)O)CC2)c1 6699787 BGWXNYCWNDJRBT-XDNAFOTISA-N 372.421 0.994 0 40 FCAB Cc1ccc(NC(=O)CSc2nnnn2C2CC2)cc1S(N)(=O)=O 9336260 MELQXMQTWZBRRH-UHFFFAOYSA-N 368.444 0.695 0 40 FCAB Cc1c(C(=O)OCC(=O)NC[C@@H]2CCCO2)sc2ncn(C)c(=O)c12 9449488 ANZUAFKNPIQMSD-JTQLQIEISA-N 365.411 0.755 0 40 FCAB CC(C)Cc1csc2c1c(=O)n(C)c(=O)n2CC(=O)N1CCOCC1 12391403 GKGJJBODRZEKEN-UHFFFAOYSA-N 365.455 0.819 0 40 FCAB COc1ccc(C2(CN[C@H]3CS(=O)(=O)C[C@H]3O)CCOCC2)cc1 13726916 QBVMZOXXMVABGV-JKSUJKDBSA-N 355.456 0.491 0 40 FCAB CCc1cccc(OC[C@@H](O)Cn2c(NC)nc3c2c(=O)[nH]c(=O)n3C)c1 14000233 PJWKJSHSFMTMJT-LBPRGKRZSA-N 373.413 0.467 0 40 FCAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2SC[C@H](C(=O)O)NC2=O)cc1 20635071 MXPWKHQZGCZBLP-NEPJUHHUSA-N 351.384 0.658 0 40 FCAB Cc1cc(NC(=O)[C@H](C)N2CCN(C(=O)N3CCOCC3)CC2)on1 23670589 WWJIREOOPXTLRG-ZDUSSCGKSA-N 351.407 0.380 0 40 FCAB CNS(=O)(=O)c1cccc(CN2C(=O)[C@H](CCSC)NC2=S)c1 30920035 CHTPEJVPJQHCON-LBPRGKRZSA-N 373.525 0.933 0 40 FCAB O=C1CN(C(=O)CCC(=O)Nc2nnc([C@@H]3CCCO3)s2)CCN1 40266516 IGOFKBPBMFPLMY-VIFPVBQESA-N 353.404 0.067 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCN(C)C)C1 41209628 HQUAVBWCJSKFFN-CYBMUJFWSA-N 358.464 0.370 0 40 FCAB CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382434 IAJHRILCVSELDE-UONOGXRCSA-N 374.393 0.753 0 40 FCAB CCC(CC)[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)N1CCOCC1 47595266 RAZZXXCUSHGDLK-GJZGRUSLSA-N 361.508 0.610 0 40 FCAB CCNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 69484709 WAZOGGLTVUHLHM-FZMZJTMJSA-N 353.444 0.014 0 40 FCAB COc1cc2c(=O)n(CCO)c(=O)n(CCCN(C)C)c2cc1OC 71280262 OINJMLWMPFUYLF-UHFFFAOYSA-N 351.403 0.124 0 40 FCAB CC(C)S(=O)(=O)N1CCN(CCNC(=O)COc2ccccc2)CC1 72243071 ZQMYBVCGSRQRAA-UHFFFAOYSA-N 369.487 0.537 0 40 FCAB O=C(COc1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95999024 NEQJSTIPGBATIH-INIZCTEOSA-N 368.455 0.718 0 40 FCAB O=C(CN1C(=O)CCC1=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96104408 DUKIXMOJTJCXQA-UHFFFAOYSA-N 370.814 0.474 0 40 FCAB COc1cc(N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)ncn1 96230479 GHASMBLPDZMFNE-SFHVURJKSA-N 354.414 0.808 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)c2cccs2)Cc2ccnn2C1 247546605 URTPXJGDQXJKSB-LLVKDONJSA-N 354.457 0.766 0 40 FCAB Cc1n[nH]c(C)c1CCC(=O)NC[C@]1(O)CCCN(c2ncccn2)C1 257234862 GVKCQAXNQGCFLH-GOSISDBHSA-N 358.446 0.897 0 40 FCAB CC(C)CN1CCC2(CC1)COCc1nnc(C(=O)N3CCOCC3)n12 306137896 RJMDADTYOCEEGR-UHFFFAOYSA-N 363.462 0.728 0 40 FCAB Cc1cc(C)c(S(=O)(=O)NCCN[C@H]2CCS(=O)(=O)C2)cc1C 575422016 LSXJPDIBCKHSOG-AWEZNQCLSA-N 360.501 0.667 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2C[C@@H](CNC(=O)c2cscn2)C1 585098983 BAKOKEUKCGYUED-NSHDSACASA-N 369.472 0.551 0 40 FCAB O=C(Nc1cnccn1)[C@@H]1CO[C@H]2CN(C(=O)Cc3ccccn3)C[C@H]12 585108563 VFQUJBHPFLUTBC-KFWWJZLASA-N 353.382 0.526 0 40 FCAB O=C(c1cc[nH]n1)N1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 1565544791 RIDKDBWKWLUBNY-LBPRGKRZSA-N 368.459 0.645 0 40 FCAB CCOC(=O)C1=CN(CC(=O)NCc2ccccc2)S(=O)(=O)N=C1C 1888920887 BZNNRTODRPTIBH-UHFFFAOYSA-N 365.411 0.771 0 40 FCAB CCn1c(SCC(=O)N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 4161075 FYFLMGDMZGWGKB-UHFFFAOYSA-N 365.459 0.558 0 40 FCAB NC(=O)CO[C@@H]1CO[C@@H]2[C@@H](NC(=O)Nc3cccc4ccccc34)CO[C@H]12 4222748 BGWZVKWAXIEKDB-BURFUSLBSA-N 371.393 0.998 0 40 FCAB biogenic,in-vitro CCOc1cc(CNc2nn[nH]n2)cc(Br)c1OCC(N)=O 4943035 KNJSCRQUVXZJRS-UHFFFAOYSA-N 371.195 0.837 0 40 FCAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H](C4=Cc5sc(=O)[nH]c5S[C@H]43)[C@H]2C1=O 6590800 DZZSDUMZGMILBC-NGHLKUQBSA-N 364.404 0.630 0 40 FCAB O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 8298149 JSPWELTVJJWWJL-QRQLOZEOSA-N 369.469 0.840 0 40 FCAB biogenic,in-vitro CCc1c(C)nc2cc([C@@H]3CCN(S(=O)(=O)N(C)C)C3)nn2c1O 12255144 ZLYYIYOYKAEIIQ-LLVKDONJSA-N 353.448 0.901 0 40 FCAB CN1N=C(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1=O 12918510 POYMLTMMEWGRBL-UHFFFAOYSA-N 364.427 0.128 0 40 FCAB Cn1nnnc1SCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 14076795 DSMMVXOOECEFOE-CQSZACIVSA-N 362.459 0.319 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@H]1C(=O)c1cnn(-c2ccc(F)cc2)c1N 19021333 WQMKNIMXRMTZCD-HNNXBMFYSA-N 373.388 0.903 0 40 FCAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(O)nn2)cc1 22699514 CHHQKRFIEPTENA-UHFFFAOYSA-N 364.427 0.940 0 40 FCAB COCCCNC(=O)CN1CCN(Cc2cc(OC)ccc2OC)CC1 23641315 AYTHXPDYPJMTTE-UHFFFAOYSA-N 365.474 0.974 0 40 FCAB C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCCC1 41247481 IPHZSZGHFPBIFI-JTQLQIEISA-N 353.400 0.421 0 40 FCAB COc1ccnc(N2CCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)n1 58328656 CBIPJOJRMKBRKG-LBPRGKRZSA-N 364.450 0.620 0 40 FCAB COCC(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccccc1)S3(=O)=O)O2 96145941 PSPCOCSZCMKPQO-VYDXJSESSA-N 366.439 0.217 0 40 FCAB O=C(N[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1)c1cccnc1 206235621 KPPSKORLAHFKCF-JKSUJKDBSA-N 373.434 0.856 0 40 FCAB Cc1cc(C(=O)N2CCC[C@](O)(CN3CCOCC3)CC2)nc(O)n1 257211993 CBLMSPQAFSDEGP-QGZVFWFLSA-N 350.419 0.180 0 40 FCAB CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccn3C)C2)ncn1 257316621 VGIZQIRFNCSKSI-SFHVURJKSA-N 358.446 0.960 0 40 FCAB O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCC[C@H](O)C2)c[nH]1 521396880 HBIPDDJSGSAJRP-VIFPVBQESA-N 356.429 0.869 0 40 FCAB O=C(CO[C@H]1CCOC2(C1)CN(C(=O)c1cnccn1)C2)N1CCCC1 575405879 VLFQZZCXOOHGCB-AWEZNQCLSA-N 360.414 0.489 0 40 FCAB CN1CC2(CN(C(=O)c3cccc(O)c3)C2)OC[C@@H]1C(=O)NC1CCCC1 585094408 CACNSCOMWDDROV-QGZVFWFLSA-N 373.453 0.976 0 40 FCAB COC[C@@]1(CC(N)=O)CN(C(=O)COc2ccc(Cl)cc2)CCO1 585278206 NFPFPUAISHCGFS-MRXNPFEDSA-N 356.806 0.838 0 40 FCAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2nnnn2CC1 643367869 JEAYBVKCLMZFOR-MFKMUULPSA-N 362.821 0.966 0 40 FCAB CN(C)S(=O)(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776008791 NFGGBWYBFFRAOL-UHFFFAOYSA-N 352.338 0.555 0 40 FCAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3428457 IXRFEKWRNHJHAU-AWEZNQCLSA-N 362.411 0.552 0 40 FCAB COCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl 6620187 WGIRYBOXAAUVMD-UHFFFAOYSA-N 364.807 0.718 0 40 FCAB O=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)c2cccs2)CC1 7540942 WXXGWPSAKKMYGC-UHFFFAOYSA-N 367.452 0.443 0 40 FCAB COc1ccc(CCNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 7667380 IGNWQNGEZOHKEE-UHFFFAOYSA-N 361.423 0.852 0 40 FCAB Cn1nc(CC(=O)Nn2cnc3ccccc3c2=O)c2ccccc2c1=O 8945904 MQQYSTIZRFPMJO-UHFFFAOYSA-N 361.361 0.956 0 40 FCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NC(=O)NCCc1cccs1 9336257 JAOWWGGLLFWPHO-UHFFFAOYSA-N 364.427 0.981 0 40 FCAB COC(=O)[C@@H](CCSC)NC(=O)c1csc(S(N)(=O)=O)c1 12873390 OBHKQWPVFVDKBB-MRVPVSSYSA-N 352.459 0.420 0 40 FCAB O=C(C1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1)N1CCOCC1 13636589 OIWCTUZOOJVEKE-QGZVFWFLSA-N 371.437 0.889 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(C)C(=O)[C@H](Cc2ccccn2)C1 19696810 DRNLGVATDPSQRW-CQSZACIVSA-N 354.476 0.601 0 40 FCAB CC[C@@H](C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22229518 WGBQYNRUDSAZKS-CYBMUJFWSA-N 369.487 0.947 0 40 FCAB Cc1cc(C)n2nc(C(=O)N3CCCC[C@H]3CNS(C)(=O)=O)nc2n1 24680968 XCTFDCZDCJUKPB-LBPRGKRZSA-N 366.447 0.285 0 40 FCAB CN(Cc1ccccc1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 26993736 SVAREZYLKZPGON-CQSZACIVSA-N 363.439 0.811 0 40 FCAB CO[C@@H](/C=C/[C@@H](OC(C)=O)[C@@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1 34361064 STNNWPKHRBGYMO-JPOZSWFVSA-N 356.371 0.674 0 40 FCAB biogenic,in-vitro O=C([C@H]1CCCN1c1ccc2nnc(C(F)(F)F)n2n1)N1CCOCC1 40083142 UKTTXUWCICZWIV-SNVBAGLBSA-N 370.335 0.971 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCC(=O)N1CCC[C@H](C)C1 58223184 DLOMPRMDWLIVMO-NSHDSACASA-N 373.461 0.631 0 40 FCAB CN1CCN(NC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)CC1 75163715 IWZXECSHMBIZLX-UHFFFAOYSA-N 355.324 0.573 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102403007 ONSKMYMBQFYOGD-YDHLFZDLSA-N 364.423 0.706 0 40 FCAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccc1 207292106 NXLFJABFUHBQKD-SYWGBEHUSA-N 354.362 0.975 0 40 FCAB O=C(/C=C/c1ccco1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 253474505 HDRJQVYWFDWHIY-SNAWJCMRSA-N 350.400 0.939 0 40 FCAB Cc1ccn(CCC(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)n1 257232679 GLXWOAJVMYBQGI-GOSISDBHSA-N 358.446 0.862 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1 257283540 OYTRWFFZKKGGTH-INIZCTEOSA-N 354.476 0.857 0 40 FCAB COc1ncccc1C(=O)N(C)C[C@@]1(O)CCCN(c2cnccn2)C1 257289828 QAIPHWBRSWYCJX-SFHVURJKSA-N 357.414 0.984 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCCO1 408556439 COSZRTCFGMGXEL-OLZOCXBDSA-N 356.444 0.966 0 40 FCAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@H](c2nccn2C)C2CC2)C1 585123275 UDEORQOHMRPYKB-OCCSQVGLSA-N 369.491 0.842 0 40 FCAB CCn1nc(C)c(S(=O)(=O)N2CCC[C@]2(COC)C(=O)NC)c1C 643705653 XYOCTIIGGDJQBT-HNNXBMFYSA-N 358.464 0.436 0 40 FCAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)no1 1888903804 IKBCZRIFOOBFTD-TXEJJXNPSA-N 353.386 0.868 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(Cc5nc(C)no5)C[C@@H]4C3)nn12 2086866055 MVZQSRJOHOFFTC-BETUJISGSA-N 354.418 0.946 0 40 FCAB CCCCCCn1c(SC[C@H](O)CO)nc2c1c(=O)[nH]c(=O)n2C 2060833 YCCJCVSOYUVLIV-SNVBAGLBSA-N 356.448 0.449 0 40 FCAB CCOCCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 6589473 WQXLOCRHALOFFM-UHFFFAOYSA-N 362.338 0.815 0 40 FCAB COc1ccccc1NC(=O)[C@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C 6654265 APAIGCSTXWTJOR-JTQLQIEISA-N 357.370 0.642 0 40 FCAB O=C([C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)N1CCOCC1 7718185 FKUMUOLINNKBRR-CYBMUJFWSA-N 363.439 0.706 0 40 FCAB CCOc1ccnc2c1c(=O)n(CC(=O)Nc1cc(C)on1)c(=O)n2C 9571907 DMYCNAICLANIEI-UHFFFAOYSA-N 359.342 0.429 0 40 FCAB O=C1C(=O)N(Cn2nnc3ccccc3c2=O)C(=O)N1Cc1ccccc1 12810290 XETHGAANFWNMLH-UHFFFAOYSA-N 363.333 0.740 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 14049197 SDYQBMJAUONCBU-XQQFMLRXSA-N 356.444 0.998 0 40 FCAB C[C@H](C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1)N1CCOCC1 19078489 IZEPOJOAENDPJT-CVEARBPZSA-N 373.501 0.891 0 40 FCAB O=C(CCN1C(=O)CCC1=O)NCc1ccc(CN2CCOCC2)cc1 23958571 BBHCQSCNABOXLY-UHFFFAOYSA-N 359.426 0.674 0 40 FCAB O=C(NCc1nnc2ccccn12)c1nc(N2CCOCC2)ncc1Cl 36391081 OJXMTMFUPZGIGZ-UHFFFAOYSA-N 373.804 0.939 0 40 FCAB Cc1ccccc1N(CC(=O)N(C)CC(=O)NC(C)C)S(C)(=O)=O 57777659 MOHIPBYKFUVWSH-UHFFFAOYSA-N 355.460 0.744 0 40 FCAB COCCN(Cc1ccncc1)C(=O)C1CCN(S(C)(=O)=O)CC1 62018188 KOWSKAZHWSLUFG-UHFFFAOYSA-N 355.460 0.728 0 40 FCAB O=C(C[C@@H](CN1CCN(CCO)CC1)C(=O)O)Nc1cccc(O)c1 71283359 YNAAKVLXNNIJCF-ZDUSSCGKSA-N 351.403 0.032 0 40 FCAB Cc1cc(C)nc(N2CCC(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)n1 79498404 DSGSJIGVOTZJEK-CQSZACIVSA-N 352.460 0.613 0 40 FCAB Cc1ccc(CN2CCO[C@]3(COCCN(S(C)(=O)=O)C3)C2)s1 96049872 SCAZZGNZZWVHRR-OAHLLOKOSA-N 360.501 0.919 0 40 FCAB O=C(CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 106111914 WQWIDLXGJGMXPC-BFHYXJOUSA-N 354.403 0.349 0 40 FCAB CCS(=O)(=O)CCN1Cc2ncn(C)c2[C@H](C(=O)NCC2CC2)C1 248058714 TYTQKOFHRMNFSF-CYBMUJFWSA-N 354.476 0.280 0 40 FCAB C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CCN1S(C)(=O)=O 271861417 DRRQNHFFRVWFEZ-UONOGXRCSA-N 367.475 0.336 0 40 FCAB Cn1cc(CN2CC[C@@]3(CCn4ncnc4[C@@H]3NC(=O)C3CC3)C2)cn1 306124777 BZHFUKZXAYUEQR-MAUKXSAKSA-N 355.446 0.875 0 40 FCAB CC[C@H]1CN(C(=O)Cn2c(=O)nc(O)c3ccccc32)C[C@]2(CCOC2)O1 330166629 YEHOHTGDGQXLRF-DJJJIMSYSA-N 373.409 0.899 0 40 FCAB CN(C(=O)c1cn(C)nn1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585594142 UMSHVCPRNGQDKD-UHFFFAOYSA-N 367.417 0.481 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(CC(=O)NC2CCC(C)CC2)CCO1 648048942 PBYSIXKPKHVPSY-BCLQGDPASA-N 369.462 0.315 0 40 FCAB CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(C(=O)NC[C@@H]2CCCCO2)C1 681931874 HTQBGDRPGQTGMF-KBPBESRZSA-N 364.450 0.549 0 40 FCAB CN1CCC2(CCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)CC2)C1=O 1255998148 FPAHZAIDTGFXND-UHFFFAOYSA-N 371.441 0.102 0 40 FCAB Cc1nc(C(=O)N2CC3(C2)CN(S(C)(=O)=O)c2nccnc23)cs1 1565555679 FPVKRTVEFRSBBT-UHFFFAOYSA-N 365.440 0.415 0 40 FCAB CCN1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)C[C@@]12CCOC2 1615588529 CVGOJRISNDPTKI-GOSISDBHSA-N 356.430 0.663 0 40 FCAB CCn1cc(CN2CCCn3nnc(COCC(=O)N(C)C)c3C2)cn1 2055717962 OAWUZXNWDWDRFY-UHFFFAOYSA-N 361.450 0.505 0 40 FCAB CC(C)NC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)c1csnn1)OC2 2055759317 LBIFTRSUVXXZBR-QMMMGPOBSA-N 350.404 0.271 0 40 FCAB CCn1ncc(Cl)c1C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)O 2783701 TWGHYTJAZCJWAQ-LPBBDHJYSA-N 372.834 0.802 0 40 FCAB Cn1c(=O)c2c(ncn2CCC(=O)N2CCc3sccc3C2)n(C)c1=O 12216378 WBYMGXLXPMQOKK-UHFFFAOYSA-N 373.438 0.470 0 40 FCAB CN(C)c1nc(N)nc(CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)n1 15082879 RVKZHVTYEDOVGI-UHFFFAOYSA-N 366.403 0.215 0 40 FCAB CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 19589997 ZEEQNPDZRLIOOA-UHFFFAOYSA-N 352.460 0.313 0 40 FCAB CC(C)NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 22795919 LOJWQCIBCMCTRH-INIZCTEOSA-N 350.438 0.755 0 40 FCAB Cc1cc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)no1 23134279 TXUMMWFRCDMETM-UHFFFAOYSA-N 353.386 0.917 0 40 FCAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N(C)C)CC2)cc1 23248780 CMCUXNLLMUCHAG-CQSZACIVSA-N 360.458 0.922 0 40 FCAB COc1ccc(CCNC(=O)c2cc(S(N)(=O)=O)cn2C)cc1OC 26676495 DCNUAIYLOWGIFO-UHFFFAOYSA-N 367.427 0.662 0 40 FCAB O=S(=O)(c1cccnc1)N1CCN(c2cncc(-n3cccn3)n2)CC1 40153588 FTKUNQQXVIYJCE-UHFFFAOYSA-N 371.426 0.568 0 40 FCAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 40287255 VXLAQZQOQBYUJB-OAHLLOKOSA-N 357.418 0.510 0 40 FCAB COc1ccc(S(=O)(=O)NCCNC(=O)Cn2cc(C)cn2)cc1 48325286 MEVOJUYAZCNEEF-UHFFFAOYSA-N 352.416 0.295 0 40 FCAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1CCS(=O)(=O)C1 57440599 ZCPTWNMRWAPIGX-CQSZACIVSA-N 371.890 0.765 0 40 FCAB CN(C)c1cccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 58201128 NIOVHOVSVQVEPC-UHFFFAOYSA-N 360.439 0.866 0 40 FCAB CCN(CCN(C)CC(F)(F)F)C(=O)Cn1nc2ccccn2c1=O 75105585 BMSSIHRTCMQJHL-UHFFFAOYSA-N 359.352 0.839 0 40 FCAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC(O)C1 79103168 DTBBNFPOKOIOQU-UHFFFAOYSA-N 352.456 0.997 0 40 FCAB COC[C@](C)(CC(=O)OC)NC(=O)Nc1ccnc(C(=O)N(C)C)c1 79110639 YXLXWPSPCZEDSG-INIZCTEOSA-N 352.391 0.873 0 40 FCAB COC(=O)[C@H](CO)NS(=O)(=O)c1ccc2nc(Cl)sc2c1 95986197 PXLOCPSTROBYCU-QMMMGPOBSA-N 350.805 0.762 0 40 FCAB O=C([C@H]1CN(C(=O)N2CCCC2)CC12CCOCC2)N1CCOCC1 96052241 ZGFYJEKHZNGSCH-OAHLLOKOSA-N 351.447 0.790 0 40 FCAB Cn1nc(CNS(=O)(=O)CCOc2ccccc2)c2c1CCOC2 96104039 GYWWQQIKCPQAOP-UHFFFAOYSA-N 351.428 0.991 0 40 FCAB O=C(c1ccsc1)N1CCCn2c(nc(Cn3cncn3)cc2=O)C1 96197595 YFGQYRJBDYSYEY-UHFFFAOYSA-N 356.411 0.991 0 40 FCAB Cn1nccc1C(=O)NCC[C@H]1CCOC12CN(c1ncc(F)cn1)C2 248044380 PHQXCDSRVKOARN-LBPRGKRZSA-N 360.393 0.765 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2nccnc2-c2cnn(C)c2)C1 257251700 JRVNWTSWQXOPSU-LBPRGKRZSA-N 350.448 0.548 0 40 FCAB CN(C(=O)c1ccncn1)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257342273 ZNWSMOQKDDPBJK-MDZLAQPJSA-N 354.374 0.035 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C)CC2)cc1C 408598005 YRHPRQCOUQPAIH-CYBMUJFWSA-N 355.460 0.444 0 40 FCAB Cc1ccccc1C[C@H](CO)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 573448448 IORVUEWSPPUTLS-CABCVRRESA-N 356.488 0.979 0 40 FCAB CCOCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 585095484 ZORAWJFATXNEGF-INIZCTEOSA-N 364.446 0.736 0 40 FCAB O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(CNCCCO)C1 585288956 BKVFGOUGJGWEIJ-WBVHZDCISA-N 356.850 0.179 0 40 FCAB Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCCN(S(C)(=O)=O)CC1 673733795 MPQPIIZWQVTVLV-UHFFFAOYSA-N 354.354 0.844 0 40 FCAB NS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)o1 681675853 IXMVTSGNGZYBQT-INIZCTEOSA-N 361.379 0.663 0 40 FCAB CC[C@]1(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CCOC1 682976044 COPQIFPGBNYOGE-HNNXBMFYSA-N 363.399 0.397 0 40 FCAB O=S(=O)(NC[C@@]1(OCCO)CCSC1)c1ccc2c(c1)CCO2 1565519646 KJSNXKMPRIQMEI-HNNXBMFYSA-N 359.469 0.784 0 40 FCAB Cc1cc(C(=O)N2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)no1 2055746006 YXFMUHOXMRRJFM-UHFFFAOYSA-N 360.418 0.892 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 5153437 JTWUSSHNQGEBKJ-UHFFFAOYSA-N 363.439 0.375 0 40 FCAB O=C(NCC(=O)N1CCC2(CC1)NCCc1nc[nH]c12)c1ccc(F)cc1 8914517 KUPSNRJJGKQLGM-UHFFFAOYSA-N 371.416 0.942 0 40 FCAB CC(C)NC(=O)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12030892 IRDISNDDSGJNDC-NSHDSACASA-N 363.432 0.925 0 40 FCAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCC(C)C)cc1 13371612 ABEXAXKRJNBANO-GJZGRUSLSA-N 361.485 0.880 0 40 FCAB C[C@@H](OC(=O)CCn1cnc2sccc2c1=O)C(=O)N1CCNC1=O 21833067 HGMUNWZPTZFBBU-SECBINFHSA-N 364.383 0.332 0 40 FCAB O=C(CCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 36383782 MHEKRMIKKNDZJW-UHFFFAOYSA-N 373.453 0.653 0 40 FCAB COCCCNS(=O)(=O)c1c2c(c(OC)c3c1OCO3)CN(C)CC2 40313166 CGZGDOOSUDNZGO-UHFFFAOYSA-N 372.443 0.727 0 40 FCAB biogenic CS(=O)(=O)N1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 48172163 XLRJEQIGPQBHDJ-UHFFFAOYSA-N 353.448 0.791 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)Nc3nnc(-c4ccco4)s3)cnc21 48274391 NMJYFKUQPMYDBW-UHFFFAOYSA-N 357.355 0.880 0 40 FCAB CCNC(=O)CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 57886275 RTZFPYYQLAPCKV-UHFFFAOYSA-N 353.810 0.534 0 40 FCAB CCc1noc([C@@H](C)N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 58216385 VQZPJKQOJCXVOJ-NEPJUHHUSA-N 356.448 0.272 0 40 FCAB CNC(=O)NC(=O)CCN1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C 58217597 PWBLCKPVUPFGDJ-ZDUSSCGKSA-N 362.430 0.829 0 40 FCAB COC(=O)C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccco2)CCO1 75104449 SAPZDLKRLKQTPU-STQMWFEESA-N 350.371 0.675 0 40 FCAB CCOC(=O)[C@H](C(C)C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 95996068 MNLVTCTVXNDJRZ-AWEZNQCLSA-N 359.448 0.710 0 40 FCAB CCCNC(=O)N[C@@H]1CCC[C@@H](C(=O)NCCOC)CC(=O)N(C)C1 96113373 BYFDYBJQBJAECE-ZIAGYGMSSA-N 356.467 0.475 0 40 FCAB biogenic,in-vitro CN(C)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccno3)CC2)O1 96263152 VOWVARQZJSMPEC-ZDUSSCGKSA-N 359.386 0.490 0 40 FCAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCC[C@H](Oc2cnccn2)C1 225475241 GEELASGQHKWMFI-ZBFHGGJFSA-N 374.441 0.874 0 40 FCAB O=C1CCCN1C[C@H]1CCC2(CN(S(=O)(=O)c3cccnc3)C2)OC1 253616755 QWLCCFFLIACNJG-CQSZACIVSA-N 365.455 0.874 0 40 FCAB Nc1nc(NC(=O)c2ccccc2)c2ncn([C@@H]3C[C@@H](O)[C@@H](CO)O3)c2n1 390828336 QKCMMMLZVJLZRK-UTUOFQBUSA-N 370.369 0.302 0 40 FCAB Cc1noc(CC(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)n1 585110599 DZJGWODXIWQCKK-UHFFFAOYSA-N 372.429 0.618 0 40 FCAB CCOCCOc1ccc(CN2C[C@H](O)C[C@@H](NC(C)=O)[C@H](O)C2)cc1 585273912 SVZWDPMSOREECA-BHIYHBOVSA-N 366.458 0.534 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1c(OC)cccc1OC 643949257 JEBYXUDTAJQYFQ-GOSISDBHSA-N 350.415 1.000 0 40 FCAB O=C(NCCCc1nc(O)n[nH]1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 682264679 PPQKQLOJQUSAHR-OLZOCXBDSA-N 363.418 0.000 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3ccc(C)c4c3CCC4)C2)C1 685943345 ZNKLMVUBIHEBIB-CYBMUJFWSA-N 355.438 0.903 0 40 FCAB CN(C)CCN1CCOCC2(CCN(C(=O)[C@H]3[C@H]4COC[C@H]43)CC2)C1 1565542476 FRWCBLIDLJFDRD-BJWYYQGGSA-N 351.491 0.381 0 40 FCAB Cc1nc(N2C[C@H]3CN(c4ncnc5ncn(C)c45)C[C@@H]3C2)nc(O)c1F 1888901034 MJIAUAVGONUSQV-GHMZBOCLSA-N 370.392 0.879 0 40 FCAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)COc1cccnc1)CCO2 2037985685 SBUAOPMNGJALPF-SFHVURJKSA-N 363.414 0.325 0 40 FCAB COCCNC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1cc(C3CC3)on1)C2 2055782101 LAPPWFUBYBWNIE-CRAIPNDOSA-N 363.414 0.936 0 40 FCAB CCOC(=O)CC(=O)Cn1cnc2c(nnn2-c2cccc(C)c2)c1=O 5057000 MNUXCDLLKBHPSV-UHFFFAOYSA-N 355.354 0.808 0 40 FCAB CC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 6108131 WQJGBXIQVRFUNA-UHFFFAOYSA-N 370.427 0.519 0 40 FCAB C[C@]1(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)CCS(=O)(=O)C1 6879407 PCUHRMHSIABDKD-AWEZNQCLSA-N 353.379 0.173 0 40 FCAB CN(C)Cc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8298574 KVLIKMFMXFESFI-KYJSFNMBSA-N 372.473 0.960 0 40 FCAB biogenic,in-vitro O=C(Nc1c[nH]c(=O)[nH]c1=O)C(=O)NC(c1ccccc1)c1ccccc1 12409524 SGIPOKDLXHJPLN-UHFFFAOYSA-N 364.361 0.908 0 40 FCAB Cc1oc([C@H](O)[C@H](O)[C@@H](O)CO)cc1C(=O)OCC(=O)c1ccccc1 12616386 GFMKOHHWLHDAFJ-XKQJLSEDSA-N 364.350 0.375 0 40 FCAB Cc1ccnc2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nn12 15013248 VNBMUDDOTMLGHW-UHFFFAOYSA-N 360.399 0.053 0 40 FCAB CCNS(=O)(=O)c1cc(C(=O)NCCN2CCOCC2)ccc1OC 16681797 XGKBFDBTYAUQJV-UHFFFAOYSA-N 371.459 0.055 0 40 FCAB Cc1nonc1CC(=O)NC1CCN(c2ncc3c(n2)CCOC3)CC1 19559027 XHMQWOBCEABFHM-UHFFFAOYSA-N 358.402 0.568 0 40 FCAB CCNC(=O)N1CCN(Cc2nnnn2-c2ccc(OCC)cc2)CC1 21151397 BQPZOPMMDVZNJQ-UHFFFAOYSA-N 359.434 0.908 0 40 FCAB NC(=O)[C@@H](OC(=O)CNS(=O)(=O)Cc1ccccc1)c1ccccc1 21308028 NLXPZFOHHADMAC-INIZCTEOSA-N 362.407 0.876 0 40 FCAB COc1ccc(CN(C)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1F 24105781 LPSHAOODHWIPLA-UHFFFAOYSA-N 359.361 0.936 0 40 FCAB CCOC(=O)c1nnsc1NC(=O)N1CCN(c2ncccn2)CC1 25186073 DFHKSRONUKSZAX-UHFFFAOYSA-N 363.403 0.859 0 40 FCAB Cn1ccnc1[C@H](NS(=O)(=O)N1CCOCC1)c1ccc(F)cc1 32900061 BNOLDEFHQONNLB-CQSZACIVSA-N 354.407 0.815 0 40 FCAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)Nc1cccnc1 43943278 JWRNATMQYSIYDV-UHFFFAOYSA-N 366.443 0.341 0 40 FCAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)nc2)C1 48131618 XZVADSIRMHNRGQ-GFCCVEGCSA-N 365.419 0.208 0 40 FCAB CCOC(Cn1cc(C(=O)NCCC(=O)N2CCCCC2)nn1)OCC 69923730 KYHJHNDCHDCCQD-UHFFFAOYSA-N 367.450 0.810 0 40 FCAB COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCOCC1)C(=O)O 71279623 DHHSZTYUSPJAMX-JTQLQIEISA-N 356.400 0.896 0 40 FCAB Cc1noc(C[C@@H]2C[C@H]3CN(S(=O)(=O)c4cccnc4)C[C@H]3O2)n1 96217636 YVJSZFDPDKLRMO-SGMGOOAPSA-N 350.400 0.794 0 40 FCAB CC[C@@H]1CN(C(=O)Cn2c(=O)nc(O)c3ccccc32)C[C@@]2(CCOC2)O1 330166628 YEHOHTGDGQXLRF-BFUOFWGJSA-N 373.409 0.899 0 40 FCAB Cc1cc(CC(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)n[nH]1 330400873 SYVXSLICZNCLCB-UHFFFAOYSA-N 364.418 0.778 0 40 FCAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NCCCO 408610868 UUZHUAVXYFSFOP-VIFPVBQESA-N 350.824 0.514 0 40 FCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccnc3)C(=O)[C@H]12 409295568 FDHHPHOLFVPXCW-COJSNBRMSA-N 372.333 0.347 0 40 FCAB Cc1csc2ncc(C(=O)N3CCNC[C@H]3c3nccn3C)c(=O)n12 567671845 LIZLUIQEILXTTK-LBPRGKRZSA-N 358.427 0.585 0 40 FCAB CS(=O)(=O)N1CCC2(CC1)CN(C(=O)Cc1ccccc1)CCO2 1252677594 FIFAIPGXAOWQHF-UHFFFAOYSA-N 352.456 0.882 0 40 FCAB C[C@@H]1CN(C(=O)c2csnn2)C[C@]12CCN(CCN1CCCC1)C2=O 1614934509 KMVMFHPYFRAHFE-CXAGYDPISA-N 363.487 0.945 0 40 FCAB COCCN1C(=O)CC2(CCN(Cc3ccn(C)n3)CC2)n2nccc21 1772596573 USULQICILKXBGA-UHFFFAOYSA-N 358.446 0.991 0 40 FCAB CC(C)c1nc(N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)nc(O)c1F 1888853731 ZTAOPAWLRFLCAE-NSHDSACASA-N 365.409 0.572 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccc(F)cc2)CC1 2055746377 VUTDPJQHNAPPIA-UHFFFAOYSA-N 359.405 0.814 0 40 FCAB CC(C)c1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 2652468 OZMWJQBJJBSKKN-UHFFFAOYSA-N 359.382 0.829 0 40 FCAB COc1cccc(N2C[C@@H](NC(=O)N3CCC(C(N)=O)CC3)CC2=O)c1 4373407 AKYXGLLFIFYOHT-ZDUSSCGKSA-N 360.414 0.707 0 40 FCAB C1COCCOCCN(P2OCCO2)CCOCCOCCN1 4772902 GLQCMKOGMKAIEU-UHFFFAOYSA-N 352.368 0.232 0 40 FCAB COCCn1c(C)cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 4829760 DWASJEWLRZJTNW-UHFFFAOYSA-N 373.413 0.381 0 40 FCAB COC(=O)c1ccc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)o1 6599924 AOPHJHFXXRPHDH-UHFFFAOYSA-N 352.734 0.515 0 40 FCAB COc1ccc([C@H]2C/C(=C3\C(=O)NC(=S)N(C)C3=O)NN2)cc1OC 9419529 SSGZAZPYDNPIHO-BLKPKJALSA-N 362.411 0.370 0 40 FCAB COCCCN(C(=O)[C@@H]1C[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 10214718 KBNUOFQHSZKOBG-VXGBXAGGSA-N 352.435 0.800 0 40 FCAB Cn1c(=O)c2c(Nc3ccc(S(N)(=O)=O)cc3)ccnc2n(C)c1=O 12227598 PCSQDDPOSHQSBF-UHFFFAOYSA-N 361.383 0.023 0 40 FCAB Cc1ccnc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 12606002 CFDQFVFPXFKONB-LLVKDONJSA-N 350.400 0.494 0 40 FCAB COCCNc1nc2c(c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)n1C 13403096 KJYZBTQOINTNBA-UHFFFAOYSA-N 361.377 0.679 0 40 FCAB OC[C@H]1O[C@@H](n2cnc3c(N4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O 13643657 MJZNVFUWLNOLRO-SCFUHWHPSA-N 369.381 0.132 0 40 FCAB COc1cccc(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1OC 16378256 CSGFAFHEGMJUAB-ZDUSSCGKSA-N 356.444 0.439 0 40 FCAB CC(=O)NCC(=O)N1CC[C@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 19021255 VSKVTLIFYPPMSP-ZDUSSCGKSA-N 355.398 0.622 0 40 FCAB CCN1C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526726 OAKOMGPFBPBMBT-UYAYXHRUSA-N 362.382 0.598 0 40 FCAB CN(C)CC(=O)N1CC[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19756895 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248041134 OHBHRYXPDYIRCT-ZDUSSCGKSA-N 353.444 0.476 0 40 FCAB CCc1cc(CNC(=O)[C@@H]2CN(C(=O)c3c[nH]nc3C)CCN2C)on1 257313758 UTZUPAMPLBFNTN-HNNXBMFYSA-N 360.418 0.341 0 40 FCAB CN1CCOC[C@]2(CC[C@H](CNS(=O)(=O)Cc3ccccc3)O2)C1 306126798 FFNICLWKPHLARB-SJORKVTESA-N 354.472 0.986 0 40 FCAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C1=O 409306778 PWNGGEZRFVENDJ-UMCXVIDHSA-N 371.345 0.659 0 40 FCAB CN1CC[C@@H](N2CCC(NC(=O)c3c[nH]nc3-c3cnn(C)c3)CC2)C1=O 575983200 YVPBAAQQHQMNGY-OAHLLOKOSA-N 371.445 0.235 0 40 FCAB CCCS(=O)(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585095866 RBYKTAQQECUASZ-AWEZNQCLSA-N 356.448 0.924 0 40 FCAB Cc1noc(C)c1CCC(=O)N1CC[C@@](O)(CN2CCN(C)CC2)C1 607854274 LKVBAQZKTJGLTL-GOSISDBHSA-N 350.463 0.435 0 40 FCAB Cn1ncc(CNS(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)n1 685938845 AFJPRVAYDSSOSI-UHFFFAOYSA-N 350.400 0.871 0 40 FCAB COC[C@H]1CN(C)C(=O)[C@H]2CCN(C(=O)CCc3cncnc3)CC[C@H]21 1565542470 DOQUTVQLAVRWPG-IKGGRYGDSA-N 360.458 0.999 0 40 FCAB CN(C)C(=O)COC[C@H]1CN(C(=O)CC2(O)CCC2)Cc2ncn(C)c21 1565553328 UKZLPRXNUYAQLC-CYBMUJFWSA-N 364.446 0.256 0 40 FCAB Cn1cc(N2C[C@@]3(CCN(C(=O)Cn4cc(Cl)cn4)C3)CC2=O)cn1 1565554270 MPKDECHYDUMGJX-INIZCTEOSA-N 362.821 0.926 0 40 FCAB O=S1(=O)CCC(CN2CCC[C@H](NS(=O)(=O)C3CC3)C2)CC1 1889122745 XLWFHRYXPIOYOF-ZDUSSCGKSA-N 350.506 0.357 0 40 FCAB Cc1cc(N2CCN(c3ncnc4c3ncn4C)CC2)nc(N(C)C)n1 1889136341 VTZVTRYAPILOFG-UHFFFAOYSA-N 353.434 0.854 0 40 FCAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCS(=O)(=O)c1ccc(C)cc1 2649769 WQLGCOAMCHEZFY-GFCCVEGCSA-N 370.427 0.936 0 40 FCAB COCCn1c(=O)[nH]c2cc(C(=O)NCCCOC(C)C)ccc2c1=O 3906596 WKMPZYDHHYSDRH-UHFFFAOYSA-N 363.414 0.881 0 40 FCAB O=C(NCCCO)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 5152799 AVIHTUFPXSFQOW-INIZCTEOSA-N 357.410 0.998 0 40 FCAB O=C1c2ccccc2S(=O)(=O)NN1CN1C(=O)c2ccccc2C1=O 6084672 SHXDKLACAKGVBH-UHFFFAOYSA-N 357.347 0.589 0 40 FCAB CN(C(=O)COC(=O)[C@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 6169342 QZOWMIRLXATCDE-SMDDNHRTSA-N 369.395 0.015 0 40 FCAB O=C(COC(=O)Cc1c[nH]c2ccccc12)N[C@@H]1CCS(=O)(=O)C1 6384018 YJPQGPWAFCURSZ-GFCCVEGCSA-N 350.396 0.557 0 40 FCAB O=S(=O)(Cc1ccccc1)N1CCN(c2ccc3nnnn3n2)CC1 8724778 IJBNKKHPFPEWCW-UHFFFAOYSA-N 359.415 0.171 0 40 FCAB CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 9060687 MIPVZRGLDGBKEY-STQMWFEESA-N 353.469 0.850 0 40 FCAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1 9704070 VKHJKTORQMFVFM-UHFFFAOYSA-N 361.427 0.920 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCO)cc1 10128230 YGBKRSJEMJFCKT-KRWDZBQOSA-N 362.451 0.993 0 40 FCAB CN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 12861291 JHQGWQQWGRSRIU-FNORWQNLSA-N 357.366 0.485 0 40 FCAB CCNC(=O)[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 12872090 YLCPKEZFXOFFLQ-SNVBAGLBSA-N 361.851 0.601 0 40 FCAB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O 13002690 XUQAGEFQGZGTOD-VXGBXAGGSA-N 351.407 0.322 0 40 FCAB CC(C)[C@@H]1NC(=O)N(CC2=N[C@H]3[C@H](C=NN3c3ccccc3)C(=O)N2)C1=O 13691571 VKTFYZZYQLGMTA-AEGPPILISA-N 368.397 0.539 0 40 FCAB O=C1CC(=O)Nc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)ccc2N1 20284473 KIBGXULSYGWVTH-SECBINFHSA-N 367.383 0.453 0 40 FCAB CC(C)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccc(F)cc2)CC1 20465417 YVGUXBJYSXACLH-YDZRNGNQSA-N 367.465 0.435 0 40 FCAB biogenic,in-vitro Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)no1 28929687 DWYDMFUJIXZDJN-UHFFFAOYSA-N 372.429 0.841 0 40 FCAB COc1ccc(NC(=O)CNC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 36354499 UVPCGRLVYDSRIK-JTQLQIEISA-N 371.415 0.129 0 40 FCAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCCOc2ccc(F)cc2)C1 47008218 SLOQXOYSVBTJLY-CYBMUJFWSA-N 359.423 0.928 0 40 FCAB S=C(NCCN1CCOCC1)Nc1ccc(N2CCOCC2)nc1 55031752 PKZJFKKAYRQAOD-UHFFFAOYSA-N 351.476 0.537 0 40 FCAB Cc1ccoc1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 58216923 LGUOYJTZAKPJBP-KBPBESRZSA-N 371.459 0.700 0 40 FCAB Cc1nccn1[C@@H](C)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 77504662 KKNAJACSLYOVHH-ZDUSSCGKSA-N 358.446 0.879 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2C(N)=O)cc(C)c1C 95452014 OMNJGMCWQDNPOE-LBPRGKRZSA-N 371.484 0.254 0 40 FCAB Cn1cc(CN2CCOC[C@]3(C2)CN(c2ccccn2)C(=O)CO3)cn1 96051365 OBZDLYFOWDLEDO-SFHVURJKSA-N 357.414 0.450 0 40 FCAB CN(C)c1cc(NC[C@H]2CC[C@@]3(COCCN(C(N)=O)C3)O2)ncn1 96063525 IHSOYUCGVKFNMZ-MLGOLLRUSA-N 350.423 0.283 0 40 FCAB O=C(c1ccco1)N1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 96160709 DPSMUIYKWWVXMQ-KBXCAEBGSA-N 359.382 0.927 0 40 FCAB C[C@@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CC(c2ccccc2)=NO1 96192535 JRUJVCRWCVJHJG-INIZCTEOSA-N 351.428 0.674 0 40 FCAB CS(=O)(=O)CC(=O)N1Cc2cncn2C[C@H](COCC2CCC2)C1 96208736 SMKDHYZKAYNPJD-CQSZACIVSA-N 355.460 0.703 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 198667974 ROGOTDSRXMGECB-CYBMUJFWSA-N 354.428 0.614 0 40 FCAB COc1ccc(S(=O)(=O)N2CC[C@](O)(CN3CCOCC3)C2)cc1 257199656 AAHQTGPIPQCARN-INIZCTEOSA-N 356.444 0.153 0 40 FCAB Cc1cc(CC2CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC2)ccn1 257244988 INQQEPYBGPZEMA-UHFFFAOYSA-N 356.426 0.882 0 40 FCAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3ccn(C)n3)CC2)OC[C@]1(C)O 257301740 RZTIKVOKNSZBAZ-HOCLYGCPSA-N 350.419 0.071 0 40 FCAB O=C(CC1CC1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 306137406 QVNBICIJWGMYTD-CYBMUJFWSA-N 351.428 0.671 0 40 FCAB COC(=O)COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C 408594337 ONSPZOMROGKJRL-UHFFFAOYSA-N 372.443 0.157 0 40 FCAB COc1ccc(C(=O)CN(CCN)[C@@]2(C)CCS(=O)(=O)C2)cc1OC 575421501 ITYDUEJZEZFLIR-KRWDZBQOSA-N 370.471 0.724 0 40 FCAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCNCC2(F)F)C1 579222424 OTJTVSNFBANRHX-QJPTWQEYSA-N 353.435 0.886 0 40 FCAB CN(c1nccn(C)c1=O)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 585593663 WSBIZMMOWTZOOY-UHFFFAOYSA-N 352.402 0.420 0 40 FCAB COCCN1CCN(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C[C@@H]1C 654638460 CVUVPPCBNKLNHU-STQMWFEESA-N 352.439 0.518 0 40 FCAB CC[C@@](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)(C(=O)O)c1ccccc1 666371513 QUYNILYSCQYROI-YOEHRIQHSA-N 368.455 0.959 0 40 FCAB CC(C)N(C)CC(=O)N1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 1565544088 IHXOFXPKSMHELK-AWEZNQCLSA-N 361.508 0.416 0 40 FCAB Cc1cc2c(cc1S(=O)(=O)N1CCN(C)[C@@]3(CCOC3)C1)OCO2 1615588533 BWJCTOPPRQAGRY-INIZCTEOSA-N 354.428 0.819 0 40 FCAB C[C@H](C(=O)N1C[C@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1)n1cccn1 1888904037 ABRBCMLMOIVLOB-MGPQQGTHSA-N 366.429 0.716 0 40 FCAB CC(C)N(C)Cc1nnc2n1CCCN(C(=O)c1cccc(=O)n1C)C2 2055717923 IFGAQYCGWFCJHD-UHFFFAOYSA-N 358.446 0.863 0 40 FCAB Cc1noc(C)c1CN1CCO[C@@H]2CN(C(=O)c3cccn(C)c3=O)C[C@H]21 2055750658 NQDJCACZQDGTDY-IAGOWNOFSA-N 372.425 0.716 0 40 FCAB O=C(CC1(C(=O)OCC(=O)N2CCCC2=O)CCCC1)N1CCOCC1 6602622 VOTNVFOZJRCYRY-UHFFFAOYSA-N 366.414 0.488 0 40 FCAB Cc1cc(NC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)no1 9884747 ZKUDPXINYZPYME-UHFFFAOYSA-N 373.412 0.895 0 40 FCAB COc1ccc(CCNC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 11368898 WDJHPHJPYZDDGA-UHFFFAOYSA-N 355.398 0.888 0 40 FCAB C[C@@H]1Oc2ccc(S(=O)(=O)NCCCN3CCCC3=O)cc2NC1=O 12187707 GCTOKIOOCXYCNK-NSHDSACASA-N 367.427 0.697 0 40 FCAB CCn1cc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2CCO)c(C)n1 12390553 HSHRFDRNNBBIGY-DOTOQJQBSA-N 365.455 0.853 0 40 FCAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(C(N)=O)CC2)cc1C 13010609 FYWMTMKKDRUOKP-UHFFFAOYSA-N 367.471 0.696 0 40 FCAB Cn1nnnc1SCC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 14076797 DSMMVXOOECEFOE-AWEZNQCLSA-N 362.459 0.319 0 40 FCAB COCCNC(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 14135975 HCIZOMFBCCKXPT-UHFFFAOYSA-N 373.409 0.445 0 40 FCAB COc1cccc(N2C(=O)[C@H]3NN=C(C(=O)OC[C@@H]4CCCO4)[C@H]3C2=O)c1 16040550 JFSNGQDCCGHJFF-IHRRRGAJSA-N 373.365 0.235 0 40 FCAB biogenic CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)C(=O)O 16899891 LNALKKHWEUBQAX-NEPJUHHUSA-N 354.359 0.780 0 40 FCAB COc1ccc([C@@H](C)NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1OC 20030447 XBPGLDYBHKWWOG-MRVPVSSYSA-N 369.399 0.428 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 29185244 BGZZLFXTKQDWBB-RYUDHWBXSA-N 372.491 0.135 0 40 FCAB COc1ccc(NC(=O)CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 32094660 UOVJYBORWZMRCP-GFCCVEGCSA-N 355.416 0.510 0 40 FCAB Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCC[C@@H](NS(C)(=O)=O)C1 32916172 HVWZLMCNHKBBKL-GFCCVEGCSA-N 351.428 0.495 0 40 FCAB CN(C)c1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 46229938 FVCRXFUYBGKWJJ-UHFFFAOYSA-N 358.442 0.659 0 40 FCAB COCc1ccccc1NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 48253279 CRGKOSJFDKNZEQ-KBPBESRZSA-N 366.439 0.807 0 40 FCAB COc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1OCC(=O)NC1CC1 49272589 DFHPVXSZVYSKGT-UHFFFAOYSA-N 374.397 0.899 0 40 FCAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1ccccn1 49547289 QXVGGUNDWAFUBL-UHFFFAOYSA-N 364.365 0.745 0 40 FCAB O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCCCn1ccnc1 58174475 YNHBQCURYQKNCO-UHFFFAOYSA-N 353.382 0.661 0 40 FCAB O=C(CN1C(=O)C(=O)c2ccccc21)NCCn1c(=O)oc2cccnc21 72343070 HOFYRTDXBOCPNM-UHFFFAOYSA-N 366.333 0.335 0 40 FCAB Cn1cnc(C(=O)N2CCC[C@@]3(COCCN(Cc4c[nH]nn4)C3)C2)c1 96076447 XUGXWKVIJBXRAT-KRWDZBQOSA-N 359.434 0.293 0 40 FCAB CN(C)c1ccnc(CNC(=O)COc2ccc(-n3cccn3)nn2)n1 224196445 MDAQMXYSVANACL-UHFFFAOYSA-N 354.374 0.214 0 40 FCAB COCCN(C(=O)c1ccc(C(=O)O)cc1F)[C@@H]1CCS(=O)(=O)C1 262311832 BPCJLRWWTHGSKL-LLVKDONJSA-N 359.375 0.800 0 40 FCAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](n2cnc(C(N)=O)n2)C1 330359207 VTUUNMPFZAAURG-UKRRQHHQSA-N 368.441 0.992 0 40 FCAB CN(C)CCNC(=O)Cn1cc(NC(=O)c2occ3c2CCOC3)cn1 513451815 TZBUXCVVUCINPV-UHFFFAOYSA-N 361.402 0.479 0 40 FCAB O=S1(=O)C[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](O)C1 575425771 WFWLUMPAWIZDCH-ZJUUUORDSA-N 360.240 0.430 0 40 FCAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)CN2CCOCC2)C1 2055746440 FTXXYMGJAPBHGC-GOSISDBHSA-N 364.421 0.287 0 40 FCAB CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)C(C)C)CC1 2097025 NEJVSCGIBKIHKH-STQMWFEESA-N 359.492 0.531 0 40 FCAB biogenic Cc1cnc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cn1 3459885 CUHXXWPHADIJEU-CYBMUJFWSA-N 369.443 0.614 0 40 FCAB CC(=O)Cn1c(=O)c2c(nc3n(C[C@@H]4CCCO4)c(C)cn23)n(C)c1=O 4314259 YQVCPJLZLCQUKB-LBPRGKRZSA-N 359.386 0.226 0 40 FCAB COC(=O)COc1ccc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1 8091997 JRIPFCDQYACMSK-GHXNOFRVSA-N 364.379 0.469 0 40 FCAB O=C(c1ccc(O)nn1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8136053 DDZIIOOASSWAQI-UHFFFAOYSA-N 366.374 0.468 0 40 FCAB CCNC(=O)[C@H](C)NC(=O)[C@@H](NS(=O)(=O)c1cccs1)C(C)C 8328487 PDJSRVDJSIELEK-JQWIXIFHSA-N 361.489 0.692 0 40 FCAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC[C@H]1COc2ccccc2O1 8756085 QKAFBWKBUZXWJY-MELADBBJSA-N 356.378 0.894 0 40 FCAB CCN1CCN(C2=N[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2)CC1 13724893 HYHKJUONAQIGBE-INIZCTEOSA-N 371.441 0.710 0 40 FCAB COc1cccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)c1O 22033975 MMAPCIFWCYNKPR-UHFFFAOYSA-N 350.249 0.946 0 40 FCAB CC(C)(C)NC(=O)CN1CCN(CN2C(=O)c3ccccc3C2=O)CC1 23249243 OVLYWNRJPRAYST-UHFFFAOYSA-N 358.442 0.772 0 40 FCAB CN(C)[C@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccsc1 25331786 BNOUSROEUKQXRP-CYBMUJFWSA-N 360.443 0.611 0 40 FCAB CC(C)CCO[C@H](C)C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 58004118 AKZVKNMTHYGQMJ-QLFBSQMISA-N 364.508 0.993 0 40 FCAB COCCS(=O)(=O)N1CCC(NC(=O)COc2ccccc2)CC1 72265439 KFRVIKXWPPQZIN-UHFFFAOYSA-N 356.444 0.622 0 40 FCAB CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(CC2CC2)CC3)C1=O 96036555 KQJFGASRHWUDCK-GOSISDBHSA-N 369.531 0.992 0 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358.446 0.970 0 40 FCAB O=C(CNS(=O)(=O)c1ccccc1)N1CCO[C@H]([C@@H]2CCCO2)C1 1118208442 LWNHCURUIKIRPU-GJZGRUSLSA-N 354.428 0.371 0 40 FCAB Cc1ccc(C)c(OC[C@@H](O)CNC[C@H](O)CN2CCCC2=O)c1C 1118242439 ZHBWAARCZQBCAP-IRXDYDNUSA-N 350.459 0.924 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)n1 1614937962 LGEMAUBFZNGWPP-CYBMUJFWSA-N 357.418 0.871 0 40 FCAB COC(=O)C1CCN(C(=O)COC(=O)CNC(=O)c2ccccc2)CC1 5715588 XPUNMAQIKONACG-UHFFFAOYSA-N 362.382 0.371 0 40 FCAB CS(=O)(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 11694549 ISCFQOUIUJINGY-UHFFFAOYSA-N 351.363 0.858 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1 12788117 WDKKBTRBGLXZGB-UHFFFAOYSA-N 367.475 0.187 0 40 FCAB Cn1nc(N2CCC(C(=O)NCc3ccccc3)CC2)c(=O)n(C)c1=O 12813774 KCTXQWMULFVIBZ-UHFFFAOYSA-N 357.414 0.012 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 29185242 BGZZLFXTKQDWBB-VXGBXAGGSA-N 372.491 0.135 0 40 FCAB O=C(CN1C(=O)CCC1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 38677507 WIFHYQKVBFIBCV-UHFFFAOYSA-N 351.384 0.314 0 40 FCAB Cn1ccc(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)c1 40067571 BSZJQQPYXNYEFF-UHFFFAOYSA-N 356.839 0.562 0 40 FCAB Cc1cc(C(=O)NC2CCN(CC(=O)Nc3nncs3)CC2)no1 58185976 YQBRKCFYCMAYQP-UHFFFAOYSA-N 350.404 0.667 0 40 FCAB C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 58201186 UUGHHPJHYYXDDR-JKSUJKDBSA-N 374.489 0.499 0 40 FCAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2cccnc2)N(C)S(=O)(=O)N1 72335138 CDUGGOMFEOMSAJ-ZIAGYGMSSA-N 364.431 0.342 0 40 FCAB COCCCNC(=O)CN1CCN([C@@H](C(=O)OC)c2cccnc2)CC1 89410287 PDUXTGBPZRCBEB-QGZVFWFLSA-N 364.446 0.066 0 40 FCAB O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3ccncc3)C[C@@H]12)N1CCOCC1 96057240 SDHVRAVOLZVJIQ-ZACQAIPSSA-N 359.426 0.665 0 40 FCAB CN(C)C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccno3)CC2)O1 96263153 VOWVARQZJSMPEC-CYBMUJFWSA-N 359.386 0.490 0 40 FCAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCN(C(=O)C2CC2)CC1 100879897 SUBUJUBNKLQBCB-GJZGRUSLSA-N 359.426 0.409 0 40 FCAB CCOC(=O)N1CCC(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)CC1 100918024 LAQBVXSPDDEIAL-PFHKOEEOSA-N 350.371 0.474 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(S(=O)(=O)c2cccnc2)C1 257232133 GJNZIYABAMCLPP-JTQLQIEISA-N 356.429 0.386 0 40 FCAB CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCCn3nc(CC)nc32)C1 331443442 KQUCIOKGVPGCCX-NWDGAFQWSA-N 370.479 0.399 0 40 FCAB CC(C)c1nncn1CCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 332913525 NPWJBQCIZOFEKW-GOEBONIOSA-N 373.461 0.861 0 40 FCAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C3OCCO3)O2)c1 409296886 JASQUYMCGCSSSW-NXEZDXNNSA-N 373.361 0.890 0 40 FCAB O=C(CN1CCOCC1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585284381 HTTMBDMXQFDNQA-MZMPZRCHSA-N 352.406 0.792 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cncc(Br)c2)C1 644031629 FCVNPBJWLKYXEA-AWEZNQCLSA-N 356.220 0.947 0 40 FCAB Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)N3CC[C@@H](CO)C3)cc2)n1 671020560 SZAHPLHXZKXNBJ-QGZVFWFLSA-N 370.453 0.989 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CCO1 681943731 ODBKXZFSXKXZOA-HOCLYGCPSA-N 369.462 0.411 0 40 FCAB CN1C[C@]23CN(C(=O)c4cc(C5CC5)on4)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565547239 OWDPECFAWBSZIF-DGFSRKRXSA-N 353.400 0.179 0 40 FCAB CC(C)N1C[C@@]2(COCC1=O)CN(C(=O)COc1cccnc1)CCO2 2037985684 SBUAOPMNGJALPF-GOSISDBHSA-N 363.414 0.325 0 40 FCAB CN(C)S(=O)(=O)N1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@H]21 2055725619 MOGOUSQHYWAUBS-ARFHVFGLSA-N 355.460 0.884 0 40 FCAB Cc1cc(CN2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)n(C)n1 2055747153 LCFXSVXJGCZAAP-UHFFFAOYSA-N 359.478 0.997 0 40 FCAB Cc1cc(NC(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)no1 4407066 ZMJCABGNBNOWCP-UHFFFAOYSA-N 358.310 0.168 0 40 FCAB CN(C(=O)CSc1nnnn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 5652126 JFZLLQRWIHSTQR-GFCCVEGCSA-N 367.456 0.400 0 40 FCAB O=C(CNC(=O)OCc1ccccc1)NCC(=O)N1CCC[C@@H]1C(=O)O 6575079 XUTXYIPELQWGLP-CYBMUJFWSA-N 363.370 0.105 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)cc1C 6928383 BYKWBAGWBZWLON-OAHLLOKOSA-N 365.455 0.415 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)C3=COCCO3)CC2)cc1 8380522 ORHSQTQTVZQBNE-UHFFFAOYSA-N 368.411 0.416 0 40 FCAB C[C@@H](C(=O)NCCN(C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 10111682 IKPIFHXQQJYJLH-LBPRGKRZSA-N 371.459 0.290 0 40 FCAB Cn1c(COC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc(=O)n(C)c1=O 12950297 XXLBMYMDVDCWOC-GFCCVEGCSA-N 361.329 0.392 0 40 FCAB CN(C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)[C@@H]1CCS(=O)(=O)C1 14136236 WLULWMWEQZMEFZ-GFCCVEGCSA-N 369.374 0.288 0 40 FCAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)c1 15828706 ZVNDMTONKHWREM-AWEZNQCLSA-N 359.382 0.918 0 40 FCAB Cc1noc(C)c1CC(=O)Nc1cnn(CC(=O)NC[C@@H]2CCCO2)c1 19746176 LQCLNOKVUIOZSA-AWEZNQCLSA-N 361.402 0.964 0 40 FCAB CCc1noc(CCC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)n1 19749148 NTBDYKJMCZHBLL-LBPRGKRZSA-N 358.464 0.885 0 40 FCAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccon2)c2ccsc2)CC1 22766201 ZNJHDNMEVIRVQO-ZDUSSCGKSA-N 363.443 0.780 0 40 FCAB Cn1cc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cn1 25307729 XIWGYSIYJPWBOL-UHFFFAOYSA-N 356.429 0.755 0 40 FCAB CCN1CCN(Cc2ccc(NC(=O)CSCC(N)=O)cc2)CC1 46939846 FYWQXMYOGFFLBM-UHFFFAOYSA-N 350.488 0.981 0 40 FCAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCc1c(F)cccc1F 52995788 VGKLSGCYKULLRC-LLVKDONJSA-N 374.409 0.659 0 40 FCAB O=C(CNCc1ccccn1)N1CCN(S(=O)(=O)c2ccccc2)CC1 58166984 ZSKQAJOKAPHBOG-UHFFFAOYSA-N 374.466 0.704 0 40 FCAB C[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1nnc2n1CCCCC2 58344288 PDLZDHQLKVCEMA-GFCCVEGCSA-N 362.434 0.856 0 40 FCAB COC(=O)C1CCN(C(=O)[C@H](OC(=O)[C@@H]2CCC(=O)NC2)C(C)C)CC1 61470393 PQSMTSVNWPYQQV-UKRRQHHQSA-N 368.430 0.492 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NCc2ccccc2-n2cccn2)CC1 65509717 SCWLGLGMVBMZLB-UHFFFAOYSA-N 363.443 0.659 0 40 FCAB O=C1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CCN1 88787520 JYEOBVSZDVKNDJ-LBPRGKRZSA-N 352.341 0.602 0 40 FCAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(C)C[C@H](C)O)c1 95461846 ZLBFQXLCEVAXKB-MLRMMBSGSA-N 373.427 0.891 0 40 FCAB Cc1cnc(C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)cn1 96050318 AGCCXKNMCVLYFJ-IBGZPJMESA-N 366.425 0.743 0 40 FCAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)c1cnccn1)CC2 96059493 ZWLRAKOWWPMEAP-UHFFFAOYSA-N 365.397 0.598 0 40 FCAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NC4CCN(C)CC4)O[C@H]3C2)nn1 96066294 ROEHKMDTYWDOBN-UAGQMJEPSA-N 359.474 0.979 0 40 FCAB Cn1cc(N2CC3(CCN(C(=O)c4cccn4C)CC3)OCC2=O)cn1 96159180 COOWJGPAGLUQJE-UHFFFAOYSA-N 357.414 0.797 0 40 FCAB Cn1cccc1C(=O)N1CCCn2c(nc(Cn3ccnc3)cc2=O)C1 96197580 HEFMPCJSVKDYMO-UHFFFAOYSA-N 352.398 0.873 0 40 FCAB CCS(=O)(=O)N1CCC[C@]2(COCCN(c3ncc(F)cn3)C2)C1 96229221 QZRYOLLWNXQHRP-OAHLLOKOSA-N 358.439 0.884 0 40 FCAB CCN1C(=O)C[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)C1=O 100188359 GMBJWAXOTKPERP-OAHLLOKOSA-N 356.426 0.562 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)Cc2cccs2)Cc2ccnn2C1 247506070 GXFXGCLFIBSSLZ-LBPRGKRZSA-N 368.484 0.695 0 40 FCAB CNc1nccnc1[C@H]1CN(S(=O)(=O)c2cn(C)nc2C)CCO1 257308365 TWMBVUZHEFTSJV-LLVKDONJSA-N 352.420 0.322 0 40 FCAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]21)c1cccnc1 575404185 AIIAWBKRMMDJDU-IIAWOOMASA-N 353.382 0.389 0 40 FCAB O=S(=O)(CCCN1CCOCC1)N1CCN(Cc2cccs2)CC1 680951755 PWFDECGNKBNUCD-UHFFFAOYSA-N 373.544 0.918 0 40 FCAB COCc1nc2nc(=O)c3ccc(-c4c(O)cc(C)oc4=O)nc3n2[nH]1 1547206403 WNMUOONITCYPTB-UHFFFAOYSA-N 355.310 0.746 0 40 FCAB COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)CC1(O)CCC1)CC2 1565550903 JOHCGKRDPOBXKG-GFCCVEGCSA-N 350.419 0.168 0 40 FCAB Cc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)CC(C)C)C[C@@H]4C3)nn12 1888859528 LEYUVIIOKLCBTL-KBPBESRZSA-N 364.475 0.787 0 40 FCAB Cc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)c(-n2cnnn2)c1 1361508 PYKMSAFCTGSVNW-UHFFFAOYSA-N 353.390 0.637 0 40 FCAB C[C@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O 1575994 UIHDXSNRWRHJRT-SMDDNHRTSA-N 360.370 0.837 0 40 FCAB Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)cn1 2806853 ONWAFXLAPVKQAF-LBPRGKRZSA-N 352.416 0.730 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)cc1 5258046 SPOALIJNLORQAR-CYBMUJFWSA-N 367.383 0.499 0 40 FCAB Cc1ccc(Nc2nc(N)nc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1 5392852 VQITYXMXZZEURX-MZXFEWSRSA-N 372.385 0.072 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(SCC(=O)N2CCNC2=O)nc1 7053541 NRSYTJUOMIQMQF-UHFFFAOYSA-N 372.472 0.756 0 40 FCAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1nnc2ccccn12 7272938 YIKRSGHIECVHDL-UHFFFAOYSA-N 364.365 0.439 0 40 FCAB NS(=O)(=O)c1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1 7651033 ZCRRVDVERFYYEZ-UHFFFAOYSA-N 358.379 0.683 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1C 8769408 VTGCNLOJQCKSJC-UHFFFAOYSA-N 367.427 0.709 0 40 FCAB Cc1nc(S[C@@H]2CCOC2=O)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 9503403 VKVHDGYCMWLJAN-SNVBAGLBSA-N 364.427 0.862 0 40 FCAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCCO 10041284 DEYOWGODVUNPFK-SECBINFHSA-N 365.249 0.615 0 40 FCAB COc1ccc(OC)c(N(CC(=O)NCCN(C)C)S(C)(=O)=O)c1 10111561 BAYOLGYALSMAMT-UHFFFAOYSA-N 359.448 0.148 0 40 FCAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)CCO1 10611741 XOWUZIOXGALRSJ-MLGOLLRUSA-N 370.409 0.878 0 40 FCAB C[C@@H](CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)N1CCCC1 11998613 RQLYEKLOBSRDEF-ZDUSSCGKSA-N 365.455 0.967 0 40 FCAB Cc1ncncc1C(=O)N[C@@H](c1cc(=O)[nH]c(N2CCOCC2)n1)C(C)C 19553015 OWCPDUOEQUTHSQ-MRXNPFEDSA-N 372.429 0.832 0 40 FCAB O=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)NCCc1ccccc1 28560313 OMIXXHWLPYAJRP-UHFFFAOYSA-N 366.377 0.922 0 40 FCAB CS(=O)(=O)N1CCN(CCNC(=O)c2nc3ccccc3s2)CC1 38680446 MASZIGYHWLUWRQ-UHFFFAOYSA-N 368.484 0.603 0 40 FCAB O=C1CCC(=O)N1CC(=O)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386171 UELZWSQTFVGJJU-ZDUSSCGKSA-N 355.350 0.313 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(Cc2ccco2)CC1 42761611 GPBQNOFKRAEJCJ-UHFFFAOYSA-N 369.429 0.803 0 40 FCAB COC(=O)CNC(=O)c1cccc(NC(=O)CCNC(=O)[C@H]2C[C@@H]2C)c1 53354951 AZJMQISYALVXPI-FZMZJTMJSA-N 361.398 0.690 0 40 FCAB C[C@H](C(=O)NC(N)=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 54639084 QJBYDBJZKUAQKW-LLVKDONJSA-N 354.432 0.013 0 40 FCAB NC(=O)C1CCN(c2ncc3c(=O)n(Cc4ccco4)c(O)nc3n2)CC1 67264330 AOOPXASVZLJZOZ-UHFFFAOYSA-N 370.369 0.235 0 40 FCAB COc1cccc(N2CCN(C(=O)c3cn4c(n3)CNCC4)[C@@H](C)C2=O)c1 72130734 QTGAZFUHGXLAPU-ZDUSSCGKSA-N 369.425 0.872 0 40 FCAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1c(=O)oc2cccnc21 72343067 HMSNNRKVCPESNE-UHFFFAOYSA-N 365.349 0.585 0 40 FCAB O=C(NCCCN1CCOCC1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95480140 FMGWLRMTYPESTR-AWEZNQCLSA-N 371.441 0.754 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(C(=O)c1ccoc1)CCN(C(=O)N(C)C)C2 96036220 AWZMSKPOCGDXRF-SFHVURJKSA-N 362.430 0.958 0 40 FCAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3cccnc3)[C@@H]4C2=O)no1 101419220 IOZYEGGIGLQOAY-ZIGSKRJUSA-N 366.377 0.981 0 40 FCAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(C)S(C)(=O)=O)c2)n1 226098594 PFRUOBQRNLQSON-UHFFFAOYSA-N 350.400 0.575 0 40 FCAB COCCN1C(=O)CO[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@H]21 257237174 HFLKMMFFJSTQDC-GJZGRUSLSA-N 354.428 0.074 0 40 FCAB CN(CCO)[C@H]1[C@H](NC(=O)c2ccccc2)C[C@@H](Oc2cccnc2)[C@@H]1O 257251516 JRBPLKCFTZDJSR-YRXWBPOGSA-N 371.437 0.685 0 40 FCAB Cc1cc(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)on1 331797820 ARELBQPPIRXDIP-UHFFFAOYSA-N 353.404 0.300 0 40 FCAB O=S(=O)(N[C@H]1CO[C@@H](CN2CCC(F)(F)C2)[C@@H]1O)c1ccccc1 514289192 ZOVHBPXYAZHWPW-MELADBBJSA-N 362.398 0.434 0 40 FCAB biogenic,in-vitro O=C(O)[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CCOC1 548535561 JKBOBWPLTADYLZ-RISCZKNCSA-N 351.384 0.640 0 40 FCAB Cn1ccc(C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)n1 575615331 CSVOSLAMEDPYRN-UHFFFAOYSA-N 354.476 0.798 0 40 FCAB Cc1snnc1C(=O)N1C[C@H]2OC[C@H](C(=O)N3CCCCO3)[C@H]2C1 585108383 CTLZRJSCPUDCAB-GRYCIOLGSA-N 352.416 0.488 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(Cc3ccn(-c4ccccc4)n3)C2)C1 685940945 LFJZJLYVKGAGJK-AWEZNQCLSA-N 353.426 0.651 0 40 FCAB CCOC(=O)[C@H]1COC2(CCN1C(C)=O)CN(C(=O)C1CC(F)(F)C1)C2 1614936414 CLPQDFDGHGUETG-CYBMUJFWSA-N 374.384 0.813 0 40 FCAB COCCN1C(=O)CN(C2CCN(c3ncnc4c3cnn4C)CC2)C1=O 1888866604 DUDYUABFZMNDPT-UHFFFAOYSA-N 373.417 0.243 0 40 FCAB CSc1ccccc1NC(=O)COC(=O)c1[nH]c(=O)[nH]c(=O)c1N 3318344 AWQWKLCWYXWNDV-UHFFFAOYSA-N 350.356 0.163 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NC2CC2)cc1 4569343 KJBMILWUAOAXAW-CQSZACIVSA-N 365.455 0.543 0 40 FCAB CCCCN1C(=O)C(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O 5568725 YXCQLKVASKKQGF-UHFFFAOYSA-N 358.354 0.563 0 40 FCAB Cn1cnnc1SCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 9911593 HMRGGQIRFMEGTJ-GFCCVEGCSA-N 358.489 0.866 0 40 FCAB CC(C)n1nc(C(=O)OCC(=O)N2CCNC2=O)c2ccccc2c1=O 14241061 KHQQAQZMNHSTBF-UHFFFAOYSA-N 358.354 0.686 0 40 FCAB CN1CCN(C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)CC1 14396340 YXVQBLHWMDGMBX-UHFFFAOYSA-N 355.460 0.231 0 40 FCAB COc1ccc(N2C(=O)C[C@H](SC[C@@H](N)C(=O)O)C2=O)c(OC)c1 16899899 DLULGAGNMZEQBH-SKDRFNHKSA-N 354.384 0.481 0 40 FCAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 18149565 HPVKEJKBSZGYHO-LLVKDONJSA-N 353.444 0.653 0 40 FCAB CN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 23421692 OWZSTFTVPBXAJH-UHFFFAOYSA-N 367.471 0.532 0 40 FCAB COc1ccc(NC(=O)CN(C)C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 24649117 FMONREGLSMGGIS-UHFFFAOYSA-N 374.397 0.410 0 40 FCAB O=C(CN1CCN(C[C@H](O)COCc2ccccc2F)CC1)NC1CC1 25300779 NQAMTEMIWCKOCS-KRWDZBQOSA-N 365.449 0.599 0 40 FCAB COC(=O)c1ccc(O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 40005756 RUUQDHUYGVGXSH-AAEUAGOBSA-N 355.412 0.886 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1 45164774 LFGXXGZIJKVMOZ-UHFFFAOYSA-N 369.487 0.774 0 40 FCAB CS(=O)(=O)N1CCC(CNC(=O)c2cccc(-n3cnnn3)c2)CC1 58140740 PKYWLZIYEGRSSW-UHFFFAOYSA-N 364.431 0.064 0 40 FCAB O=C(CN1CCN(Cc2cccc3c2OCCO3)CC1)N1CCOCC1 58266251 JHOPRYPLFJFHRS-UHFFFAOYSA-N 361.442 0.434 0 40 FCAB O=C(C[C@@H]1C(=O)Nc2ccccc21)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 58438399 KRSIHALREXQXQL-UWWQBHOKSA-N 373.453 0.966 0 40 FCAB Cn1ccnc1CN1CC[C@]2(COCCN(S(=O)(=O)C3CC3)C2)C1 96062383 WDJIZZJLTMEWKK-INIZCTEOSA-N 354.476 0.437 0 40 FCAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cccnc3)CC2)O1 96062625 QUXWISAODLYZQG-AWEZNQCLSA-N 355.398 0.554 0 40 FCAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(CCO)CC1 96699265 UWYQAZWMXIZGAW-UHFFFAOYSA-N 374.441 0.811 0 40 FCAB O=C(c1ccnnc1)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 247871870 RBMOHOBKGQSIHY-AWEZNQCLSA-N 374.422 0.580 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc(C)nc3)C2)CN1CC1CC1 248054705 BSTOHUHMEREWAV-MRXNPFEDSA-N 358.442 0.441 0 40 FCAB COc1ccc(S(=O)(=O)N2CC[C@@](O)(CN3CCOCC3)C2)cc1 257199657 AAHQTGPIPQCARN-MRXNPFEDSA-N 356.444 0.153 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3cncn3C)n2)C1 257203809 ARSLCUMLDXHNNB-ZDUSSCGKSA-N 364.475 0.938 0 40 FCAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCn3nccc3C)C2)ncn1 257330950 XQTBWAOADIAHOL-GOSISDBHSA-N 358.446 0.780 0 40 FCAB CCOCC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccnn1C 306139887 UDLRKKQRIMJXJE-ZDUSSCGKSA-N 350.419 0.194 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCc3ncncc3C2)cc1 648214446 DDAIKHCZHSZJGN-ZDUSSCGKSA-N 360.439 0.588 0 40 FCAB O=C(Cn1nc2n(c1=O)CCCC2)N1CC(=O)N(Cc2ccccc2)C1 649876066 QQGXOMBYROHTNE-UHFFFAOYSA-N 355.398 0.210 0 40 FCAB CN1CCN(C[C@@H]2CC[C@]3(COCCN(C(=O)[C@H]4CCOC4)C3)O2)CC1 1565555090 RDGWMGNNUOHVCO-LNLFQRSKSA-N 367.490 0.047 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1 1634534816 NZHJWACNQKQPBY-KRWDZBQOSA-N 358.354 0.331 0 40 FCAB COc1cc(N2CCN(Cc3nnc([C@H]4CCOC4)o3)CC2=O)ccn1 1888867085 METKNAMAKJIPFC-LBPRGKRZSA-N 359.386 0.826 0 40 FCAB Cn1cnc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)c1 2037984719 LIGAVPROOPMGKE-FRFSOERESA-N 358.373 0.682 0 40 FCAB Cc1ccc(Cn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 633239 FHTBRNUGBHSTLX-UHFFFAOYSA-N 368.441 0.532 0 40 FCAB Nc1c(S(=O)(=O)O)cc2c3c(cccc13)C(=O)N(n1cnnc1)C2=O 3204436 UWOCTOWYLGEUGK-UHFFFAOYSA-N 359.323 0.192 0 40 FCAB CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](NC(C)=O)[C@H]1OC(C)=O 5125095 FJEJQSQCOOUCJJ-WJQMWINMSA-N 365.382 0.908 0 40 FCAB CCOC(=O)[C@]1(C(C)C)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@@H](C(C)C)N2C1=O 5201916 ZNPXAUPCGVUBOA-HLNSBACISA-N 368.430 0.478 0 40 FCAB COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)N2CCOCC2)cc1 5559273 LCPSKHFEVJDZSD-HNNXBMFYSA-N 359.382 0.960 0 40 FCAB CCc1n[nH]c(SCC(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)n1 8707807 JOTIBWKQELLGCI-UHFFFAOYSA-N 371.444 0.754 0 40 FCAB COc1ccc(NCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1Cl 11257270 UOAYYHRKHQRMAH-UHFFFAOYSA-N 361.851 0.864 0 40 FCAB COC(=O)Cn1c(=O)c2c(nc3n(Cc4ccco4)c(C)cn23)n(C)c1=O 13815557 LKYIXFBMYNXXCP-UHFFFAOYSA-N 371.353 0.272 0 40 FCAB CCN1C[C@@H](CN(C)CC(=O)NC(=O)NCCOC)Oc2ccccc21 15524886 PAWWMEBNLBLJML-CQSZACIVSA-N 364.446 0.678 0 40 FCAB COc1ccc(OCCN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 22932891 QYXWDPLLQNXNAA-HNNXBMFYSA-N 354.472 0.879 0 40 FCAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)Cn2cccn2)c1=O 24807170 ACSJTVOTTYKMPV-CYBMUJFWSA-N 355.398 0.585 0 40 FCAB COC(=O)[C@H](C)N(C(=O)Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 32641428 VHTLCHVMEPVXKG-JSGCOSHPSA-N 369.439 0.815 0 40 FCAB CCN(CC)C(=O)CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N=CN2 33266276 UZWHTINFUHLCOC-UHFFFAOYSA-N 359.429 0.471 0 40 FCAB O=C(CN1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1)NC1CC1 35325336 FBMPALXGQOSNPL-UHFFFAOYSA-N 353.426 0.909 0 40 FCAB CC(=O)N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 37227777 YYURPOMEGNPTFC-UHFFFAOYSA-N 350.444 0.438 0 40 FCAB CCCN(CCC)S(=O)(=O)N1CCCN(CC(=O)NC(C)C)CC1 40086266 FXJAEMOKBNSIFM-UHFFFAOYSA-N 362.540 0.886 0 40 FCAB CS(=O)(=O)N1CCC(CNC(=O)[C@H]2COc3ccccc3O2)CC1 43979859 HDDFURDUAXRAMI-OAHLLOKOSA-N 354.428 0.614 0 40 FCAB Cn1cc(C(=O)NC2CCN(c3cncc(-n4cccn4)n3)CC2)cn1 58381319 KOKCINTZVVZAMG-UHFFFAOYSA-N 352.402 0.795 0 40 FCAB COc1c(Br)cncc1S(=O)(=O)N1CCN(C)CC1 72210910 QWUONMVLBWVTKE-UHFFFAOYSA-N 350.238 0.789 0 40 FCAB CC1(C)C[C@H](NC(=O)[C@@H]2CCCN(c3ccc4nnnn4n3)C2)CCO1 95474909 XJRFCQROCVMSNF-CHWSQXEVSA-N 359.434 0.810 0 40 FCAB Cc1ccc2nc3c(cc(C(=O)N4CCC(C(N)=O)CC4)n3C)c(=O)n2c1 96347373 MHLZDCAZRKAEPD-UHFFFAOYSA-N 367.409 0.832 0 40 FCAB CCOC(=O)N1CCC(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CC1 101259572 LAQBVXSPDDEIAL-ZHRONYKTSA-N 350.371 0.474 0 40 FCAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)no1 102611079 ARNOEZHGRGUZCG-NBLIUIFLSA-N 361.354 0.496 0 40 FCAB Cc1ccc([C@@H](O)CNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 103158803 ZWXIVGSOIPRBGE-FTAMUGHTSA-N 354.406 0.952 0 40 FCAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCCCN(C)C)[C@@H]4C2=O)no1 107074741 DQFOMWAVBNZPNL-DRRHNWJESA-N 360.414 0.337 0 40 FCAB Cc1nn(C)c(C)c1C(=O)N1CC(n2cc(CN3CCCC3=O)nn2)C1 225632905 GOAVDXRLHSIYAE-UHFFFAOYSA-N 357.418 0.448 0 40 FCAB NS(=O)(=O)c1cc2c(cc1Cl)N(C[C@H](O)Cn1cccn1)CC2 528772176 QEBBMCMVNGFTCI-NSHDSACASA-N 356.835 0.608 0 40 FCAB CN(C(=O)c1nc[nH]n1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585594324 XPNHPUIEYUPZHR-UHFFFAOYSA-N 353.390 0.471 0 40 FCAB CN1CC[C@@H](C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)S1(=O)=O 649246152 POCFIEVSLXHFNS-NSHDSACASA-N 362.791 0.776 0 40 FCAB Cc1nc(Cn2cc(C(=O)Nc3cccc(-c4nc(=O)o[nH]4)c3)nn2)no1 683738766 IDQYKFJJSABTQW-UHFFFAOYSA-N 368.313 0.613 0 40 FCAB COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cncn3)[C@H]2O)cc1 1534639828 IWJWWGRZHRXBEJ-ARILJUKYSA-N 361.358 0.134 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(COCCN(c3nncs3)C2)C1 1565545139 VZHYEESYMHHMDN-XJIUQZFPSA-N 364.471 0.876 0 40 FCAB CN(C)C(=O)N[C@@H]1CCOC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1 1565551741 JYLVOFIYLSMQRF-KBXIAJHMSA-N 351.447 0.690 0 40 FCAB O=C(c1cncnc1)N1CCO[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984699 KVPNSTNJYNFQGK-IBGZPJMESA-N 368.393 0.751 0 40 FCAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)NC[C@H]1CCCO1 3437558 VTHKTBPJCYUMAW-CJNGLKHVSA-N 370.409 0.926 0 40 FCAB Cc1ccc(C)c(OCCC(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 6034088 XSQOBLXUUXFWFX-CQSZACIVSA-N 369.439 0.919 0 40 FCAB CCCn1c(N)c(C(=O)CSc2nnc3ccccn23)c(=O)n(C)c1=O 6115068 PSQXPUFJTCAZJX-UHFFFAOYSA-N 374.426 0.557 0 40 FCAB COC(=O)CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)N(C)C1=S 8091427 JVZHVYMEDUZWNH-POHAHGRESA-N 351.340 0.873 0 40 FCAB O=C(c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)N1CCCC1 17356512 PMWWPKQNAKRITF-CYBMUJFWSA-N 372.468 0.388 0 40 FCAB CCN(CC(=O)NCCO)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930051 VVOVENTYTAVJMV-UHFFFAOYSA-N 350.824 0.468 0 40 FCAB COc1ccc(CN(C)CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1F 26866240 LWFYZYQKHMNDSN-INIZCTEOSA-N 358.435 0.960 0 40 FCAB CCn1c(NC(=O)CN2C(=O)COc3ccccc32)c(NC)c(O)nc1=O 58323294 SWTMWUCZFYXXKR-UHFFFAOYSA-N 373.369 0.375 0 40 FCAB Nc1ncc(Br)nc1C(=O)OCC(=O)NCc1ccco1 72312500 QRKQZCIBJRIRKB-UHFFFAOYSA-N 355.148 0.888 0 40 FCAB CNC(=O)c1cccc(-c2noc(C3CN(S(=O)(=O)N(C)C)C3)n2)c1 75156500 WMRWODXTVAFAIX-UHFFFAOYSA-N 365.415 0.302 0 40 FCAB CN1CCN([C@@H]2CCCCN(C(=O)c3ccc(OCC(N)=O)cc3)C2)CC1 89382632 UPFQNUTYARWBDX-QGZVFWFLSA-N 374.485 0.793 0 40 FCAB C[C@H]1CN(S(=O)(=O)CCNc2ncnc3nn(C)cc23)C[C@@H](C)O1 95973297 AXIDOOASQPQXQO-PHIMTYICSA-N 354.436 0.214 0 40 FCAB CN(C)C(=O)COC[C@H]1CN(CC2CCOCC2)Cc2ncn(C)c21 96044885 UZHXFXBEYACRRR-OAHLLOKOSA-N 350.463 0.851 0 40 FCAB CCC(=O)N1C[C@@H]2[C@H](C1)c1nc(NCC3CC3)ncc1CS2(=O)=O 96100395 PYTYDOWFPJZJBF-QWHCGFSZSA-N 350.444 0.931 0 40 FCAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 96144724 ZIXRGXKKESHTTA-CQSZACIVSA-N 361.446 0.971 0 40 FCAB CC(C)Cn1cc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cn1 96192178 SCLKFGNPGYCRFP-HNNXBMFYSA-N 363.462 0.340 0 40 FCAB CCN1CCn2c(nn(Cc3noc(-c4cccc(F)c4)n3)c2=O)C1=O 98213003 DRQORJHWVXLEDD-UHFFFAOYSA-N 358.333 0.758 0 40 FCAB CCN1C(=O)C[C@@H](Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)C1=O 103463001 JHBGHPHDONLIPY-CYBMUJFWSA-N 361.398 0.912 0 40 FCAB COCCN1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 103515152 VTKFJXWTHNXJPM-MMMWYMCRSA-N 355.394 0.560 0 40 FCAB O=C(c1cccnc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224330411 DVGRTSSIOALGJC-UHFFFAOYSA-N 354.414 0.671 0 40 FCAB Cc1ncc(CNS(=O)(=O)c2cn(C)cn2)c([C@@H]2CCCN2C)n1 257203244 APEVTBLHEWIFHU-ZDUSSCGKSA-N 350.448 0.764 0 40 FCAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)C3CCOCC3)[C@H](O)[C@H]2O)c1 257207540 BIFIGDRZEBRJCU-NCOADZHNSA-N 351.399 0.480 0 40 FCAB COCC(=O)NCC[C@H]1CN(c2ccc3nncn3n2)Cc2ccnn21 306127424 FYKCWKCTKVRHFU-LBPRGKRZSA-N 356.390 0.035 0 40 FCAB CCCCN(C(=O)CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 516696618 BTZIYVGTRLZURJ-ZDUSSCGKSA-N 366.505 0.228 0 40 FCAB CN1C(=O)N[C@]2(CCN(CC(=O)Nc3nc4c(s3)CCCC4)C2)C1=O 556841370 XELGYKFJGICBMV-INIZCTEOSA-N 363.443 0.587 0 40 FCAB CCn1cc(O[C@@H]2CN(CC(=O)N3CCc4ccccc43)C[C@H]2O)cn1 625622876 XUSMTQFTGAPLHL-QZTJIDSGSA-N 356.426 0.916 0 40 FCAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1C[C@@H](CCO)[C@@H](CO)C1 1124101490 DNGPQBMYRIEOQM-GHMZBOCLSA-N 361.364 0.840 0 40 FCAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1=O 1565549539 ZEYUDCXMEJMZAP-KSSFIOAISA-N 355.398 0.282 0 40 FCAB Cn1cc(C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)nn1 1776008054 VGHHVSATBZAJBS-UHFFFAOYSA-N 354.292 0.718 0 40 FCAB CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)C1=O 7210525 QNMWEMSIJQZKBE-JTQLQIEISA-N 358.354 0.561 0 40 FCAB COCCNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 14020867 SLKOLJRVLWXQEG-UHFFFAOYSA-N 356.322 0.626 0 40 FCAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(N)=O)c2)c1=O 15195455 MBRVACYOPPVSBD-UHFFFAOYSA-N 366.377 0.921 0 40 FCAB COc1ccc(C)cc1CN(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15365654 UEWRQIHPJOAQMH-UHFFFAOYSA-N 367.427 0.222 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16025216 NWFXSQZYYDXSSS-IBWPGLOJSA-N 370.409 0.083 0 40 FCAB C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CCOc1ccccc1 16561010 QAWSAXILCFHIEZ-LBPRGKRZSA-N 360.414 0.248 0 40 FCAB Cc1ccc([C@]2(O)CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)C2)cc1 19715853 YQNUFPOEFWQTQP-IBGZPJMESA-N 367.409 0.559 0 40 FCAB C[C@]1(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CCS(=O)(=O)C1 22741157 KMVRRERGVBRNCE-HNNXBMFYSA-N 374.484 0.085 0 40 FCAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2ncnc3sccc23)CC1 23762202 OHYGUFOZXCBBHI-NSHDSACASA-N 366.468 0.775 0 40 FCAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1 28208011 LURMEXRLJXCFOJ-UHFFFAOYSA-N 362.835 0.828 0 40 FCAB Cc1cnc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cn1 29986287 KQMKDYQGMPDXDX-UHFFFAOYSA-N 353.426 0.859 0 40 FCAB C[C@H](C(=O)NC(N)=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804125 NSHSVCHCDPBBMH-CYBMUJFWSA-N 358.442 0.867 0 40 FCAB Cc1cccc2nc(C(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)cn12 52994425 JTGUBFNBEYGZRS-GFCCVEGCSA-N 364.427 0.018 0 40 FCAB O=C(COC(=O)CCn1ccc(=O)[nH]c1=O)Nc1ccc(F)cc1F 75490458 KTXWZISKJNWCBP-UHFFFAOYSA-N 353.281 0.387 0 40 FCAB O=C1NC[C@H]2CN(c3ncnc4sc5c(c34)CCCC5)CCN2C1=O 79046678 ARXQLDOPEUHGDQ-JTQLQIEISA-N 357.439 0.717 0 40 FCAB C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 90500579 DCVNPEFBNLITSW-DZGCQCFKSA-N 352.456 0.975 0 40 FCAB C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCSC[C@H]1CO 95456423 GNGRDOUFZVAPDN-VHSXEESVSA-N 350.487 0.351 0 40 FCAB Cc1cc(N2CCOCC2)nc(CNC(=O)CNC(=O)c2ccccc2)n1 96120917 PGPMNBOUVDBETC-UHFFFAOYSA-N 369.425 0.668 0 40 FCAB Cn1cccc1C(=O)N1CC[C@@]2(CC(C(=O)NC[C@@H]3CCCO3)=NO2)C1 96225625 NNRIGILUCHASFT-SCLBCKFNSA-N 360.414 0.681 0 40 FCAB CC(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cn23)C1 96267698 ZAVJXUZODFRBSF-HOCLYGCPSA-N 370.457 0.841 0 40 FCAB CNS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 102329950 SKPXLYIJNUECJT-CYDGBPFRSA-N 354.384 0.411 0 40 FCAB Cn1c(CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)cc(=O)n(C)c1=O 180677273 YZUQLAIYHLKIQU-LJQANCHMSA-N 353.378 0.227 0 40 FCAB Cn1nc(C(=O)NCCn2c(O)nc3ncccc3c2=O)c2ccccc21 240067952 SEWKEBULXDCNTN-UHFFFAOYSA-N 364.365 0.814 0 40 FCAB NCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)cc1 257236373 HBWPITJWBTWRFN-KZNAEPCWSA-N 363.458 0.368 0 40 FCAB C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)n1nc2c(cc1=O)CCC2 575606010 CHADNQKLGNIRIH-CJNGLKHVSA-N 374.441 0.143 0 40 FCAB Cc1nc(C)c(Br)c(N2CC(n3cc(C(N)=O)nn3)C2)n1 663785244 XLOUAXAUEDWEOJ-UHFFFAOYSA-N 352.196 0.608 0 40 FCAB O=C(NCc1ccncc1)C1=NO[C@@]2(CCCN(C(=O)c3cc[nH]n3)C2)C1 1146835394 UJTIXFBKVUKXLL-SFHVURJKSA-N 368.397 0.872 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2cnccn2)CC1 2055781409 ALRCJUGKNBRWTO-UHFFFAOYSA-N 358.402 0.067 0 40 FCAB N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@@H](N)Cc1ccccc1 1616447 YWFZWSSERWXERI-ROUUACIJSA-N 354.454 0.359 0 40 FCAB O=C(C[C@@H]1CCS(=O)(=O)C1)OCCN1C(=O)c2ccccc2C1=O 4392768 ATKKQAMQHPPYPC-NSHDSACASA-N 351.380 0.651 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 4815393 PQVTUCKPPWTRRD-UHFFFAOYSA-N 355.416 0.557 0 40 FCAB COCCNC(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O 4898887 XZKMBWCYDYNBAU-UHFFFAOYSA-N 361.789 0.998 0 40 FCAB COc1ccc(N2CCn3c2nn(CC(=O)N2CCCC2)c(=O)c3=O)cc1 8849092 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CCS(=O)(=O)N1CCC(C(=O)N2N=C(C)C[C@]2(O)C(F)F)CC1 6488916 DRKMWYLSBDTOEI-ZDUSSCGKSA-N 353.391 0.610 0 40 FCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1COc2ccccc2O1 6586951 ADEYXHDHWQGLMV-LBPRGKRZSA-N 359.382 0.807 0 40 FCAB O=C(C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O)Nc1ccccc1 8624513 GDMOBSYJJAWNKY-HDEZJCGLSA-N 360.366 0.527 0 40 FCAB biogenic,in-vitro O=C(CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCOCC1 11693263 JUNPMKFHRFEEQU-UHFFFAOYSA-N 371.372 0.970 0 40 FCAB Cc1nc2ccccc2nc1N1CCN(CC(=O)N2CCOCC2)CC1 12913738 NGUAOXFAUCVPSN-UHFFFAOYSA-N 355.442 0.919 0 40 FCAB CCc1ccc(S(=O)(=O)N(CC(=O)O)[C@H]2CCS(=O)(=O)C2)cc1 13030245 PHBGWIFXKQGIOX-LBPRGKRZSA-N 361.441 0.511 0 40 FCAB Cc1cnc2c(C(=O)N3CCC[C@]3(C)C(=O)N3CCOCC3)cnn2c1 19746547 XPGGXCAWGSVSMX-GOSISDBHSA-N 357.414 0.891 0 40 FCAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ncccn2)CC1 23641869 MSXSSXLKRZDNFR-UHFFFAOYSA-N 372.429 0.380 0 40 FCAB CS(=O)(=O)N1CCN(CCC(=O)NCc2ccccc2Cl)CC1 28891771 WWNXBVRABXQZEE-UHFFFAOYSA-N 359.879 0.924 0 40 FCAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1)N1CCOCC1 30595693 QQMCNMHFOUWLEU-CQSZACIVSA-N 360.382 0.977 0 40 FCAB Cc1cc(C)n2ncc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2n1 32240729 DWOKXJLFWNAVPT-UHFFFAOYSA-N 370.457 0.726 0 40 FCAB Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)O)O[C@@H](C)C(=O)N2 32917125 GGQWMODILPLPKW-GXSJLCMTSA-N 354.384 0.952 0 40 FCAB O=C(CN1CCOCC1)N1CCN(C[C@@H](O)c2ccccc2Cl)CC1 40105734 SOFMCBBCRVIVRM-QGZVFWFLSA-N 367.877 0.850 0 40 FCAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCN3CCOCC3)cc21 49659627 RXTGMULUYUPYPP-UHFFFAOYSA-N 353.444 0.527 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)NCCCc1nnc2ccccn12 72405206 HELPDPAABNBYQV-UHFFFAOYSA-N 363.381 0.583 0 40 FCAB COCc1noc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)n1 95464617 XSXYPWNKQDPQFO-UHFFFAOYSA-N 353.404 0.118 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]2C1 96082390 ZSZALASLABWSFU-TZMCWYRMSA-N 358.485 0.800 0 40 FCAB CNC(=O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 231669717 XBYRBUQFCKKPGX-SGWZHLPASA-N 373.453 0.494 0 40 FCAB O=S(=O)(NC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1)C1CC1 247351722 WDVSZGLJMJFHKZ-HNNXBMFYSA-N 368.503 0.823 0 40 FCAB Cn1c(=O)oc2cc(NC(=O)CN3CC[C@H](O)[C@]4(CCCO4)C3)ccc21 257252087 JTNDFWRQHPRYOZ-YJBOKZPZSA-N 361.398 0.686 0 40 FCAB CN(C)C(=O)[C@H]1COC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)CN1C 575405248 HCHULXSTIPACBV-MRXNPFEDSA-N 356.426 0.781 0 40 FCAB O=C(c1nccc2ccccc12)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 585288098 PLCOCJHGYBIXTJ-NUJGCVRESA-N 357.410 0.113 0 40 FCAB Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(C(=O)C4CC(O)C4)C[C@H]3O2)cn1 1614936476 YUJSZABKXXDEPI-GKWNCVOWSA-N 374.441 0.178 0 40 FCAB Cc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)CC(C)C)C[C@H]4C3)nn12 1888859530 LEYUVIIOKLCBTL-ZIAGYGMSSA-N 364.475 0.787 0 40 FCAB CN(C)S(=O)(=O)c1cccc(C(=O)N2C(=O)c3cccc(N)c3C2=O)c1 3297029 LTBMTQHWBCEHGV-UHFFFAOYSA-N 373.390 0.956 0 40 FCAB COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(CCO)C3)cc(OC)c1OC 4854791 GMUHVWKKKWVTQH-CQSZACIVSA-N 363.370 0.155 0 40 FCAB Cc1sc2nc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]c(=O)c2c1C 5117856 PUVRORHNMNFPDH-UHFFFAOYSA-N 372.410 0.397 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)COC(=O)c2c(F)cccc2F)CC1 12810067 HMWDUFHAASDMQE-UHFFFAOYSA-N 362.354 0.225 0 40 FCAB O=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)n1)[C@@H]1CCCO1 19291965 UOIJSWHVNFCOIC-HNNXBMFYSA-N 361.446 0.725 0 40 FCAB COCCCN1C[C@H](C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1=O 19590976 SUNBNFWJHNIREN-GFCCVEGCSA-N 361.398 0.865 0 40 FCAB O=C(CN1C(=O)COc2ccc(Cl)cc21)OCC(=O)N1CCNC1=O 24128849 SHGHOFNWXMNPRC-UHFFFAOYSA-N 367.745 0.160 0 40 FCAB Cc1nnc(COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)o1 32958207 CZEFLNQXDSIHDU-UHFFFAOYSA-N 366.399 0.840 0 40 FCAB CCOC(=O)N1CCC(NC(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)CC1 40135203 QXLHFARKKOCGCZ-UHFFFAOYSA-N 374.397 0.427 0 40 FCAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc21 49659651 ZQDISUIZZIPQOV-SECBINFHSA-N 358.441 0.382 0 40 FCAB Cc1ccoc1C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 58216921 LGUOYJTZAKPJBP-ZIAGYGMSSA-N 371.459 0.700 0 40 FCAB O=S1(=O)C[C@H](O)[C@@H](N2CCN(c3ccnc(-c4ccccc4)n3)CC2)C1 95395081 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CN(Cc1nc(O)n[nH]1)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 548681819 SJSJYDFCERJEFX-QWRGUYRKSA-N 350.402 0.415 0 40 FCAB CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)cc1 572095525 FWCYXRIQGJDCNT-CYBMUJFWSA-N 356.400 0.755 0 40 FCAB CC(C)N(CCO)C[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O 585291844 UGTKFDHZLXJCLA-MJGOQNOKSA-N 350.459 0.256 0 40 FCAB COCc1cccc(C(=O)N2CCO[C@H](CN(CC(=O)O)C(C)=O)C2)c1 681941801 GSNBZRFXUJSUFK-INIZCTEOSA-N 364.398 0.607 0 40 FCAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NC(=O)NCc3ccccc3)[C@H]3CO[C@@H]2O3)c1 952844944 VWMMMKDRDOXVPK-OVYGPGRDSA-N 358.398 0.717 0 40 FCAB biogenic,in-vitro Cn1cnc(C(=O)N2C[C@H](OCCCn3cccn3)[C@H]3OCCC[C@H]32)n1 1565550908 HRAYDMQQSZCXCN-ILXRZTDVSA-N 360.418 0.491 0 40 FCAB Cn1cnc(C(=O)N2CCCn3cnc(C(=O)NC4CCCC4)c3C2)n1 1565554897 JOKANIVQVDHTDO-UHFFFAOYSA-N 357.418 0.730 0 40 FCAB Cc1nc(N2CCN(c3nc(C)c(F)c(O)n3)CC2)c2cnn(C)c2n1 1888869831 HAIDBQRDOCGWLR-UHFFFAOYSA-N 358.381 0.941 0 40 FCAB Cc1ccc(Cn2c(SCC(=O)O)nc3c2c(=O)[nH]c(=O)n3C)cc1 850086 FZPIBPUTDXCDGB-UHFFFAOYSA-N 360.395 0.957 0 40 FCAB CC(=O)Nc1ccc(N)c2cc(S(=O)(=O)O)c(S(=O)(=O)O)cc12 1683646 PVMWPQFIVZFAQA-UHFFFAOYSA-N 360.369 0.874 0 40 FCAB CC(=O)Cn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)cn23)n(C)c1=O 4314260 YQVCPJLZLCQUKB-GFCCVEGCSA-N 359.386 0.226 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)c2ccc3c(c2)OCCO3)n(C)c1=O 4829768 DKVJKLFXXUKCCU-UHFFFAOYSA-N 356.338 0.088 0 40 FCAB Cc1cc2nc(N3CCOCC3)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2cc1C 4830589 XXWBSWGLONZBPI-VVLHAWIVSA-N 363.414 0.101 0 40 FCAB OC[C@@H]1O[C@H](n2cc(Br)c3c(=S)nc[nH]c32)[C@H](O)[C@@H]1O 6505204 JPAXVONCMNIIEJ-POYYFJLXSA-N 362.205 0.468 0 40 FCAB Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1sccc1C(N)=O 7982791 LAQKGPPPZKELBQ-UHFFFAOYSA-N 369.424 0.951 0 40 FCAB COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(C)cc3)nnc12 10969828 RVVNRWDNASKIEE-UHFFFAOYSA-N 368.397 0.703 0 40 FCAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)[C@H]3CC(=O)N(C)C3)nc12 12146364 QYFMZPVGADSEOT-AWEZNQCLSA-N 367.409 0.552 0 40 FCAB CC(=O)c1ccc(S(=O)(=O)NCCCc2c(C)[nH]c(N)nc2=O)cc1 17039753 NXGAYCOWHUIZHR-UHFFFAOYSA-N 364.427 0.774 0 40 FCAB Cc1ccc2nc(NC3=NCN(N4CCN(C)CC4)CN3)nc(C)c2c1 19171308 YZBCIIOLNSBNJW-UHFFFAOYSA-N 354.462 0.997 0 40 FCAB CS(=O)(=O)Nc1ccc(C(=O)NCCN2CCOCC2)c(Cl)c1 20049569 ZLFDINMJFZQYKG-UHFFFAOYSA-N 361.851 0.774 0 40 FCAB COCCn1nc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)ccc1=O 22970422 GZLIOYJLUSCBAR-OAHLLOKOSA-N 366.462 0.366 0 40 FCAB CCOc1ccc(NC(=O)Cn2cncn2)cc1S(=O)(=O)N(C)C 32902657 FVPDIUWEOTZFEI-UHFFFAOYSA-N 353.404 0.566 0 40 FCAB COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 42383453 FSYBZJMIIKAWOA-UHFFFAOYSA-N 352.412 0.723 0 40 FCAB COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC3CCN(C)CC3)O2)no1 77262779 IHXNMOSSSRYEMY-RYQLBKOJSA-N 353.463 0.956 0 40 FCAB biogenic,in-vitro COC(=O)C1CCN(C(=O)Cn2ncc3c2C[C@@H](C(=O)OC)CC3)CC1 83884560 HEPWUSJEPUZPSU-ZDUSSCGKSA-N 363.414 0.573 0 40 FCAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)C1CN(C(=O)C3CCCC3)C1)C2 96005491 UVSBUVDGCILONF-AWEZNQCLSA-N 366.487 0.827 0 40 FCAB Cn1cc([C@H]2CN(S(=O)(=O)c3cc(Cl)cnc3N)CCO2)cn1 97020789 SHOFUNCBVQQNKQ-LLVKDONJSA-N 357.823 0.813 0 40 FCAB Cc1cc(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)n(C)n1 104418692 SLWUOTNYIQBJLF-UHFFFAOYSA-N 356.430 0.755 0 40 FCAB CC(=O)N1C[C@@H](C(=O)O)CN2CCN(C(=O)c3ccccc3C)C[C@@H]2C1 107768874 PQVLVTROGFZRPJ-JKSUJKDBSA-N 359.426 0.684 0 40 FCAB CS(=O)(=O)CCC(=O)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 247489046 AVYBRZAEXYFVDF-GFCCVEGCSA-N 372.418 0.794 0 40 FCAB CCc1nccn1CC(=O)N1CCC2(CC1)C[C@H](NC)[C@@](C)(O)CO2 257205989 BBKICOXGKGCGMY-YOEHRIQHSA-N 350.463 0.566 0 40 FCAB CC(=O)N1CCN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)C[C@@H](CO)C1 257238117 HJQXGTCPVNXODE-INIZCTEOSA-N 371.441 0.797 0 40 FCAB CC(=O)N1CCc2nc3n(c(=O)c2C1)CC[C@@]31CCN(C(=O)NC(C)C)C1 306136647 PZEKHKARVRWVBJ-LJQANCHMSA-N 373.457 0.613 0 40 FCAB CN1CCN(C(=O)c2nn(C)c3c2CN(C(=O)c2ccnc(F)c2)C3)CC1 585110268 KDFHGZCMSKXUER-UHFFFAOYSA-N 372.404 0.498 0 40 FCAB COC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(Cn3cncn3)C2)c1 952964706 MNQLEHVVYQRAPM-UHFFFAOYSA-N 366.399 0.394 0 40 FCAB Cc1nonc1NC(=O)CN1CCO[C@@](CO)(Cc2ccccc2F)C1 1615083151 XGNLRTLXQXFFJG-KRWDZBQOSA-N 364.377 0.762 0 40 FCAB O=C(c1nc[nH]n1)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1 1775967780 CSTXNDUCZNOBGQ-UHFFFAOYSA-N 367.417 0.862 0 40 FCAB CNC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 930443 YTUQSAOODQBZIK-UHFFFAOYSA-N 373.438 0.320 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)c2cnc3ccccn3c2=O)cc1 5053659 ZYDMAIHDHRODFP-UHFFFAOYSA-N 372.406 0.314 0 40 FCAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)O 5706762 WRDZCFUWKUEZOX-XBFCOCLRSA-N 352.387 0.889 0 40 FCAB CN(C(=O)COC(=O)c1ccc(Cl)c(N)c1)[C@H]1CCS(=O)(=O)C1 6422027 SIIOMVOZBWNWLP-JTQLQIEISA-N 360.819 0.725 0 40 FCAB O=C(CSc1nncn1-c1ccccc1)NC(=O)CN1CCCC1=O 8339466 ZRACTKRJTFZECV-UHFFFAOYSA-N 359.411 0.625 0 40 FCAB COc1ccc(S(=O)(=O)CCCC(=O)N2CCNC(=O)C2(C)C)cc1 12234754 XFUJVOPNTWBEBW-UHFFFAOYSA-N 368.455 0.986 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1C1N2CC3(C)CN1CC(c1ccccc1)(C2)C3=O 19327366 YFBIETXRKIQEQA-UHFFFAOYSA-N 366.421 0.528 0 40 FCAB O=C1NC[C@@]2(CCCN(C(=O)Cn3cccnc3=O)C2)Oc2ccccc21 19374777 KAXNSGRPUGXWAF-LJQANCHMSA-N 368.393 0.427 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)N2CCN(c3ccccc3)CC2)CC1 26281545 MPQMGLSWVPYIIL-UHFFFAOYSA-N 366.487 0.942 0 40 FCAB Cc1cc(C)c(NC(=O)Cn2c(=O)c(N(C)C)c(N)n(C)c2=O)c(C)c1 32682487 VOZSTVIJNKPSEI-UHFFFAOYSA-N 359.430 0.759 0 40 FCAB CCCn1c(N)c(C(=O)CN2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O 34864583 IWBVKWMPHXKAAU-UHFFFAOYSA-N 371.441 0.534 0 40 FCAB CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)CCC(=O)NC2CC2)c1 40105901 OVQSXQRHIDWALL-UHFFFAOYSA-N 374.484 0.520 0 40 FCAB O=C(c1cnccn1)N1CC(C(=O)N2CCN(Cc3ccccn3)CC2)C1 70809056 IYTCKUDNAQHZPA-UHFFFAOYSA-N 366.425 0.288 0 40 FCAB C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1 83966549 AXTRLURRTCGYHP-GFCCVEGCSA-N 365.865 0.958 0 40 FCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1nccs1)C2 96050417 VRGXECGMAQTCAE-KRWDZBQOSA-N 374.470 0.716 0 40 FCAB O=C1NC[C@@H](COc2ccccn2)[C@]12CCN(S(=O)(=O)C1CC1)C2 96218178 OMVIZBSLILALMS-BLLLJJGKSA-N 351.428 0.391 0 40 FCAB O=C1N(CCN2CCCC2)CC[C@@]12CCCN(S(=O)(=O)C1CC1)C2 96224256 BMUHXAMEAQRZQN-QGZVFWFLSA-N 355.504 0.889 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(=O)c1ccnnc1)CCN(C(=O)C(C)C)C2 97952796 JXKQLSYCPIEUSD-IBGZPJMESA-N 373.457 0.656 0 40 FCAB CCCCN1C(=O)[C@H]2[C@@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 103087983 DOMSBGXMTOVLON-XFRIUUDKSA-N 357.410 0.588 0 40 FCAB COCCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)c1 262102467 IZFDUCMKSOKQOH-AWEZNQCLSA-N 370.427 0.691 0 40 FCAB O=C(O)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 575424213 SZMUQBWDOIFOEB-GFCCVEGCSA-N 361.441 0.729 0 40 FCAB O=C(CN1CCO[C@](CO)(Cc2cccc(F)c2)C1)N1CCOCC1 585276737 IBNKIRYGTZNWCB-GOSISDBHSA-N 352.406 0.290 0 40 FCAB Cn1cc(O[C@@H]2CN(C(=O)c3ncn(-c4ccccc4)n3)C[C@H]2O)cn1 628261100 IDXPARNPEPDWHS-HUUCEWRRSA-N 354.370 0.265 0 40 FCAB O=S(=O)(N[C@H]1CCNC2(CCC2)C1)c1ccc2nc(O)nc(O)c2c1 658400819 FQIRLEVXTGNKQM-JTQLQIEISA-N 364.427 0.994 0 40 FCAB Cc1ncc2c(n1)[C@H]1CN(C(=O)c3ncn(C)n3)C[C@H]1N(CC1CC1)C2 1565555169 VAHIETIKUQBSMC-LSDHHAIUSA-N 353.430 0.747 0 40 FCAB CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1)CCO2 1784772094 OJYRRGLMAWGDIR-LJQANCHMSA-N 360.458 0.865 0 40 FCAB CCc1nc(N2C[C@H]3CN(C(=O)c4ccnn4C)C[C@H]3C2)nc(O)c1F 1888863973 NOLWNXTZOTVVOE-PHIMTYICSA-N 360.393 0.826 0 40 FCAB COc1cnc(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)nc1 2055713561 GESIRWQGYARHNR-UHFFFAOYSA-N 354.374 0.020 0 40 FCAB COCCCNc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C 2488377 ODTSQEZVIMHPJC-UHFFFAOYSA-N 357.414 0.930 0 40 FCAB biogenic COCCNC(=O)CN1C(=O)N[C@@]2(CCCc3cc(OC)ccc32)C1=O 3303344 HZUKEYUPPZNAKW-GOSISDBHSA-N 361.398 0.541 0 40 FCAB C[C@H]1C[C@H](C)CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 3455648 KMYZFKUOEQFQIN-KBPBESRZSA-N 353.488 0.971 0 40 FCAB Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)c1 4370783 MJAIOGWPKAUJHK-UHFFFAOYSA-N 369.381 0.750 0 40 FCAB COCCNC(=S)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 5794690 XUMIYWZFVRRGHA-UHFFFAOYSA-N 357.501 0.822 0 40 FCAB CCCNC(=O)[C@H]1CN(CC(=O)NCC(=O)NCC)c2ccccc2O1 7355796 MANVSNMDMMFMQQ-OAHLLOKOSA-N 362.430 0.033 0 40 FCAB CN(C)S(=O)(=O)c1cccc(NC(=O)CCN2C(=O)CCC2=O)c1 9722444 WFLDKCZFZRPCDD-UHFFFAOYSA-N 353.400 0.415 0 40 FCAB C/C=C/C(=O)OCC(=O)N(CCCC)c1c(N)n(CCC)c(=O)[nH]c1=O 10733298 ZSVJLHCHWAMCOC-VMPITWQZSA-N 366.418 0.781 0 40 FCAB COc1ccc(/C=C/C(=O)N2CCC2)cc1S(=O)(=O)N1CCOCC1 14160308 NFTHSSULQGEIPU-GQCTYLIASA-N 366.439 0.962 0 40 FCAB COc1cc(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)ccn1 19550293 ZINWPJCTQJYSEZ-UHFFFAOYSA-N 355.398 0.915 0 40 FCAB CN1CCC(NC[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2N(C)Cc2ccccc2)CC1 20465961 QELMXXPVXVTWOH-IYWMVGAKSA-N 363.502 0.291 0 40 FCAB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1cccc(C)c1 20801435 SKRXTHMILLGYIN-JKSUJKDBSA-N 358.442 0.949 0 40 FCAB COc1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cn1 31695193 RWLDWTOMXVVTII-UHFFFAOYSA-N 352.368 0.973 0 40 FCAB Cn1c(=O)[nH]c2ccc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@@H]3C4)cc2c1=O 45222105 YUNKCEKGCVMCMF-TUAOUCFPSA-N 363.439 0.941 0 40 FCAB CC(C)C(=O)NCCNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 48003948 USQZCGHRARWJOH-CYBMUJFWSA-N 353.444 0.977 0 40 FCAB NC(=O)Cn1nc2n(Cc3cccs3)c(=O)c3sccc3n2c1=O 64775203 KZHLFTXQCLULKV-UHFFFAOYSA-N 361.408 0.468 0 40 FCAB Cc1cc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)n([C@H]2CCS(=O)(=O)C2)n1 71285175 RRWHGQOEOMMRNL-MVWJERBFSA-N 355.416 0.846 0 40 FCAB COc1ccc(-n2ncc3c2N(CC(=O)N(C)C)C(=O)N2CCN=C32)cc1 72347814 XDEFZOFEZUUKAT-UHFFFAOYSA-N 368.397 0.971 0 40 FCAB CN1C(=O)CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)c2ccccc21 83881773 OSXBRFIKAKIQQD-UHFFFAOYSA-N 370.394 0.834 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@]1(O)CCOc2ccccc21 96026012 NEMYHAWMAAARQE-INIZCTEOSA-N 351.428 0.986 0 40 FCAB CC(C)Nc1nc2c(cc1C(=O)N(C)C)CCN(S(C)(=O)=O)CC2 96260450 DTSMQNOXRHYEDG-UHFFFAOYSA-N 354.476 0.964 0 40 FCAB CCc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(CC)C3=O)cc1 98213050 XXDBPBDQMKCOES-UHFFFAOYSA-N 357.414 0.399 0 40 FCAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=C1C(=O)NC(=O)NC1=O 101032154 KABPCGFSQLUZNY-ZDUSSCGKSA-N 370.365 0.482 0 40 FCAB CCOC(=O)N(CCNC(=O)c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O 217364898 WPKZPHYJOUWOMY-KBPBESRZSA-N 370.427 0.033 0 40 FCAB Cc1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)nc(N(C)C)n1 224233613 AZSGDBMMWFICFY-UHFFFAOYSA-N 355.464 0.139 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 248239657 NWFXSQZYYDXSSS-DKEWWPDHSA-N 370.409 0.083 0 40 FCAB Cn1cc(C(=O)N2CCN(CCc3ccccc3)[C@H](C(N)=O)C2)ccc1=O 257223112 DVXJNNFHSQDFOK-KRWDZBQOSA-N 368.437 0.240 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2nccnc2-c2ccnn2C)C1 257320811 VYTMLWYQLIIFTE-CYBMUJFWSA-N 364.475 0.938 0 40 FCAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc2nsnc12 548210466 NVSCBFABOBUSGP-WCBMZHEXSA-N 357.413 0.849 0 40 FCAB CCCn1cc(CN2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cn1 585290599 FWYBUSUGBLTYHY-KURKYZTESA-N 352.479 0.310 0 40 FCAB CCOC(=O)c1ccc2c(c1)nc(CN1C[C@H](O)C[C@H]1C(N)=O)n2CC 596620332 FABNSYPJGYDFNO-DOMZBBRYSA-N 360.414 0.653 0 40 FCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CC(n3nccn3)C2)cc1 888106896 COBGPOLORPUALI-UHFFFAOYSA-N 361.383 0.177 0 40 FCAB COCc1cc(N2C[C@@H]3CN(C(=O)Cc4cnn(C)c4)C[C@]3(C)C2)ncn1 1052233692 FOWAHGJGCAZLJN-BEFAXECRSA-N 370.457 0.884 0 40 FCAB CCc1nc(N2C[C@@H]3CN(C(=O)c4ccnn4C)C[C@H]3C2)nc(O)c1F 1888863974 NOLWNXTZOTVVOE-QWRGUYRKSA-N 360.393 0.826 0 40 FCAB CCc1cc(=O)oc2cc(OCC(=O)N[C@H](CC(=O)O)C(=O)O)ccc12 2152399 RFJFHCKYFVWREP-GFCCVEGCSA-N 363.322 0.778 0 40 FCAB biogenic CS(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 4727607 CFQYFCJINMVROL-UHFFFAOYSA-N 362.473 0.789 0 40 FCAB COc1ccc(NC(=O)C[C@@H](NCCOCCO)C(=O)O)c(OC)c1 4939702 PICWVHBKNKPZDV-CYBMUJFWSA-N 356.375 0.084 0 40 FCAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C(=O)c2ccccc2S1(=O)=O 4940847 XMTRIACVZSBEPY-JTQLQIEISA-N 373.390 0.957 0 40 FCAB COCCNC(=O)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 6739031 VTJPYXBISMNNMP-OLZOCXBDSA-N 369.468 0.743 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 9025590 REFURQAHQMAJTP-UHFFFAOYSA-N 359.367 0.078 0 40 FCAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O 9494773 DQGBWXCFOWMLAT-LJQANCHMSA-N 370.409 0.831 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)CSc2nnc(N)s2)c2ccccc2O1 9501549 YFERDXQSRUJDCV-SNVBAGLBSA-N 365.440 0.753 0 40 FCAB CC1=NN(C)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1 10364814 IRVFZWFUHWPZED-UHFFFAOYSA-N 356.361 0.910 0 40 FCAB Cc1ncc(COP(=O)(O)O)c([C@@H]2N[C@H](C(=O)O)CS2)c1O 13213450 CXFXHBNEDOKOBZ-OIBJUYFYSA-N 350.289 0.493 0 40 FCAB CC1(C)C(=O)N=C(S)N2C(=O)C[C@H](C(=O)NCCc3ccccc3)N21 14607390 UHLMMFMAXRJLRG-GFCCVEGCSA-N 360.439 0.768 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2cc(Cl)c[nH]2)cc1 25198219 OBDJCKPEJUMULP-UHFFFAOYSA-N 371.802 0.789 0 40 FCAB CC(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)CC1 32101142 OLSKZQPEDQMUDM-HNNXBMFYSA-N 358.398 0.858 0 40 FCAB CCS(=O)(=O)c1ccccc1NC(=O)C(=O)N[C@H](C)Cn1cccn1 41739030 PZJYFSMMQQWKGG-GFCCVEGCSA-N 364.427 0.820 0 40 FCAB COc1ccc(-n2ccc(C(=O)N[C@H]3CCCN(CC(N)=O)C3)n2)cc1 68445974 FOTCTODHINFTFT-ZDUSSCGKSA-N 357.414 0.560 0 40 FCAB CC(C)Cn1cnc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 80635574 IXDKNFRZOICSGU-UHFFFAOYSA-N 369.491 0.124 0 40 FCAB CNC(=O)CN1CCc2c(COCC(=O)N(C)C)nn(C(C)C)c2C1 96085022 BWAPFTUOGZYYNY-UHFFFAOYSA-N 351.451 0.173 0 40 FCAB O=C(NC[C@H]1CCCO1)[C@@H]1Cn2ccnc2C2(CCN(CCF)CC2)O1 96243791 INIQTQCYALCPAU-CABCVRRESA-N 366.437 0.838 0 40 FCAB O=C(NCC1CC1)[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]1O2 96253007 QNIWQVKOKJDYBO-VNQPRFMTSA-N 350.440 0.991 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)c2cccs2)Cc2ccnn2C1 247546614 URTPXJGDQXJKSB-NSHDSACASA-N 354.457 0.766 0 40 FCAB CNc1nc([C@H]2CCN(C(=O)C(C)(C)O)C2)nc2c1CCN(C(C)=O)C2 257235334 GXJBCNVRLMDEHC-LBPRGKRZSA-N 361.446 0.510 0 40 FCAB CN(Cc1ccccc1N(C)C)C(=O)C1CCN(S(N)(=O)=O)CC1 290138261 NOMHFRKKVFSZNO-UHFFFAOYSA-N 354.476 0.627 0 40 FCAB CCc1nc([C@@H]2CN(S(=O)(=O)c3cn(CC)c(C)n3)CCO2)n[nH]1 329159917 DLZYPLPQAOOSDR-NSHDSACASA-N 354.436 0.654 0 40 FCAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C(C)(CO)CO)cs1 583622950 LBDRWQUFEWKZKT-JSGCOSHPSA-N 359.467 0.813 0 40 FCAB COC[C@]1(C(=O)O)CCCN1CC(=O)NCCOc1cccc(F)c1 643879189 MMBSPXZAOLJHPJ-KRWDZBQOSA-N 354.378 0.886 0 40 FCAB COc1ccc(O)c(C(=O)N2CCO[C@H](CN(CC(=O)O)C(C)=O)C2)c1 653552913 NAHVBMNPSMYKKX-ZDUSSCGKSA-N 366.370 0.175 0 40 FCAB Cc1cc(CN2CCO[C@]3(CO[C@@H](C(=O)NCC(F)(F)F)C3)C2)n[nH]1 1565543341 OFHUJNMJGZXDFZ-OCCSQVGLSA-N 362.352 0.757 0 40 FCAB COc1cnc(C(=O)N2CC[C@H]3[C@@H](CC2)OCCN3CCN(C)C)nc1 1565548935 IYJBIAGEHPBTDK-JKSUJKDBSA-N 363.462 0.352 0 40 FCAB Cc1nc(C[C@H]2C(=O)NCCN2Cc2ccccc2)n(-c2ccnn2C)n1 1772819727 QZVUYVDCPYBLLX-INIZCTEOSA-N 365.441 0.852 0 40 FCAB Cc1noc(CN2C[C@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@@H]3C2)n1 1888930476 QQIGLPBDWVZLFU-STQMWFEESA-N 373.438 0.891 0 40 FCAB CN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 4504838 LTRRNVOUMSFTHG-LBPRGKRZSA-N 360.457 0.196 0 40 FCAB CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)[C@@H]1CCS(=O)(=O)C1 6949013 FWVIKKYIZLSQFS-LLVKDONJSA-N 366.361 0.903 0 40 FCAB C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccco1 9531876 IMADMRNTIWXNIL-NSHDSACASA-N 354.366 0.880 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc2ccccc2c1 12622768 IIJASFWVPXGHDF-HNNXBMFYSA-N 362.407 0.892 0 40 FCAB CC[C@@H](C)NC(=O)CN1CCN(CN2C(=O)c3ccccc3C2=O)CC1 22912410 USMRRBGQWYRELS-CQSZACIVSA-N 358.442 0.772 0 40 FCAB COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1 24259831 VXYOIHGMYFSPSB-UHFFFAOYSA-N 362.411 0.774 0 40 FCAB C[C@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 30582591 NBCOVAHJWGOUGV-RDJZCZTQSA-N 372.469 0.219 0 40 FCAB CN1[C@@H](CCC(=O)NCc2ccco2)CNC(=O)[C@@H]2[C@H]1CCN2CC1CC1 35442367 PNDHMEYIQUTYJG-WDYCEAGBSA-N 374.485 0.959 0 40 FCAB biogenic,in-vitro O=C(NC[C@H]1COc2ccccc2O1)C(=O)Nc1n[nH]c2ncccc12 49543942 PDXKNYPCXUSKLQ-JTQLQIEISA-N 353.338 0.853 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H]1COc2ccccc2C1 53045908 PMQUETVTGURLRA-CYBMUJFWSA-N 351.362 0.810 0 40 FCAB CN(C[C@@H]1COc2ccccc2O1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C 53549787 CDWZJTIRGLQTCI-SNVBAGLBSA-N 357.370 0.237 0 40 FCAB Cn1cc(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cn1 58214630 FSCIUIDTAKNAKU-ZDUSSCGKSA-N 368.484 0.994 0 40 FCAB C[C@@H](C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1)S(C)(=O)=O 72295386 BALMDDOLWUZOBB-CABCVRRESA-N 353.488 0.746 0 40 FCAB CCCS(=O)(=O)N1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225825 DPOXIDVBEFDOLC-MRXNPFEDSA-N 366.443 0.658 0 40 FCAB NC(=O)Cn1nc(-c2cccc(Br)c2)cc(C(=O)O)c1=O 225963411 MTMKPQJMWLKLGH-UHFFFAOYSA-N 352.144 0.856 0 40 FCAB COc1ccc(S(=O)(=O)N2CC[C@H](c3ncon3)C2)cc1C(N)=O 238889591 QLQNKQVHQZLWGQ-VIFPVBQESA-N 352.372 0.355 0 40 FCAB Cc1cccc(C(=O)N2Cc3cncn3[C@H](CCNS(C)(=O)=O)C2)n1 248081892 IYMKHBLLVUTYLX-CYBMUJFWSA-N 363.443 0.723 0 40 FCAB O=C(c1ccc(-n2cccn2)nc1)N1CC[C@@](O)(CN2CCOCC2)C1 257210025 BSUVWHAWVGNTJU-GOSISDBHSA-N 357.414 0.177 0 40 FCAB Cc1c[nH]c(-c2cc(C[C@H]3CCN(S(=O)(=O)N(C)C)C3)ncn2)n1 257219368 DGNWKLUYOSSSSY-GFCCVEGCSA-N 350.448 0.846 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2nccnc2-c2ccnn2C)C1 257320812 VYTMLWYQLIIFTE-ZDUSSCGKSA-N 364.475 0.938 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408597266 UOZIYGDGGCSNEV-CYBMUJFWSA-N 356.444 0.999 0 40 FCAB CCCS(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 575402447 AMXHYZDQSXQRRU-DMDPSCGWSA-N 359.473 0.560 0 40 FCAB CN1CCO[C@@H](CNc2nc(N)c3cnn(C)c3n2)[C@@H]1c1ccccc1 583617533 NRLRAUVYSOZAHW-GJZGRUSLSA-N 353.430 1.429 0 40 FCAB CO[C@H]1CCN(C(=O)CNS(C)(=O)=O)C[C@H]1Cc1ccccc1F 585276875 PJGAPBOYBCBWMD-HIFRSBDPSA-N 358.435 0.781 0 40 FCAB CNC(=O)[C@@]12CCOC[C@H]1CN(C(=O)C1(NC(C)=O)CCCCC1)C2 1551414495 YBNLCKXLSVSKBR-RHSMWYFYSA-N 351.447 0.437 0 40 FCAB O=C(CCc1cncnc1)N1C[C@@H]2OCCN(Cc3cccnc3)[C@@H]2C1 1565544520 JFOHVTMUCDDNCS-MSOLQXFVSA-N 353.426 0.916 0 40 FCAB CCN(C)C(=O)c1cnn2c1CN(C(=O)Cn1ccccc1=O)CCC2 1565545658 MGMSTHCKGOKFDM-UHFFFAOYSA-N 357.414 0.569 0 40 FCAB O=C(C1CC(O)C1)N1CC[C@H]2C(=O)N(Cc3ccncc3)CCO[C@H]2C1 1565550160 RXCYLOHTMPPSMY-BACDZXNISA-N 359.426 0.428 0 40 FCAB C=CC(=O)Nc1ccc(C(=O)NCc2nnc3c(=O)n(C)ccn23)cc1 1596830318 NGRJMLGLWZUTMK-UHFFFAOYSA-N 352.354 0.483 0 40 FCAB COc1cc(=O)n(C)cc1C(=O)N1C[C@@H]2CN(c3nccc(C)n3)C[C@H]2C1 1888844583 KQZYHTONJNTKFY-ZIAGYGMSSA-N 369.425 0.701 0 40 FCAB O=C(NCc1ccon1)[C@@H]1C[C@]2(CO1)CN(Cc1ccncc1)CCO2 2056226686 XSGRYGPYDBPKLI-FUHWJXTLSA-N 358.398 0.746 0 40 FCAB C[C@@]1(O)C[C@@](O)(C(=O)c2cc(O)cc(O)c2)c2c(O)cc(O)cc2C1=O 2332243374 NKEWORGBFVYRNX-MSOLQXFVSA-N 360.318 0.917 0 40 FCAB O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(c2ncccn2)CC1 7738467 RIKLSDIVTFYZJE-UHFFFAOYSA-N 364.409 0.995 0 40 FCAB Cc1ccccc1OCC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 9049953 KJDFKWLLAUGQST-UHFFFAOYSA-N 354.366 0.958 0 40 FCAB CCc1ccc(CN(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 9318070 SEQXUZLMVVHTFP-UHFFFAOYSA-N 369.425 0.655 0 40 FCAB COC(CNC(=O)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1)OC 9421182 LERUIBZISYCQOL-SECBINFHSA-N 368.825 0.958 0 40 FCAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1 9995225 LTKBHNLXODJYBF-WDEREUQCSA-N 358.489 0.788 0 40 FCAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(CC(=O)NC2CC2)CC1 14228221 SFDWDSVVPPFNKT-AWEZNQCLSA-N 373.457 0.619 0 40 FCAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)N1CCOCC1 16980708 XWMOIKCWQUXZSS-UHFFFAOYSA-N 359.430 0.981 0 40 FCAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)CN(C)CC2 19711591 CSIPORDZQPSZEG-MRXNPFEDSA-N 374.489 0.720 0 40 FCAB COc1cc(C(=O)N(C)Cc2cnn(C)c2)cc(OC)c1OCC(N)=O 24478082 ZJPUCTHVJVVSPS-UHFFFAOYSA-N 362.386 0.574 0 40 FCAB Cc1cc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)n([C@@H]2CCS(=O)(=O)C2)n1 29599555 TVDPGZJSODVACJ-HZSPNIEDSA-N 370.475 0.599 0 40 FCAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCN(CC(=O)N2CCCC2)CC1 36383777 GDVWANNNUVVAMP-VOTSOKGWSA-N 359.474 0.817 0 40 FCAB C[C@]1(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CC1(Cl)Cl 36390965 JMQWZAMWRFCIEY-GZMMTYOYSA-N 357.259 0.380 0 40 FCAB Cn1c(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc2ccccc21 42380810 OFHAJUTUTQXVSD-UHFFFAOYSA-N 369.425 0.367 0 40 FCAB COc1ccc(C(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(C)S4(=O)=O)O3)cc1 96146068 YSPRIAQHXOAYTI-IJEWVQPXSA-N 352.412 0.323 0 40 FCAB Cn1nc(CNc2ncccn2)c2c1CN(C(=O)c1cnccn1)CC2 96255928 FJIHIKNQFXLPOA-UHFFFAOYSA-N 350.386 0.811 0 40 FCAB Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2ccccc2Cl)C1 244950819 FNJIDPNABYSGBJ-UHFFFAOYSA-N 354.819 0.696 0 40 FCAB COCCN1C[C@H](C(=O)O)CN2CCN(C(=O)c3ccco3)C[C@H]2C1 247908184 XULLORJRGLEDQE-UONOGXRCSA-N 351.403 0.069 0 40 FCAB N[C@H](CCC(=O)N1C[C@@H](O)[C@@H](Cc2ccnc3ccncc23)C1)C(=O)O 257212393 CDFVGGFXWRKZTC-JGGQBBKZSA-N 358.398 0.184 0 40 FCAB CN(C)C(=O)[C@@]1(C)CN(C(=O)c2cccc(-c3cncnc3)n2)CCO1 257216397 CUKDGBGZTHBDLA-GOSISDBHSA-N 355.398 0.858 0 40 FCAB CCc1cc(C(=O)N[C@@H]2CC[C@@H](N3CCN(C(C)=O)CC3)[C@@H]2O)no1 257246182 ISXIRWOTFSLZSF-FVQBIDKESA-N 350.419 0.023 0 40 FCAB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)S(=O)(=O)c1ncnn1C 274261617 YLULLUGHFXDUAW-PWSUYJOCSA-N 350.400 0.617 0 40 FCAB O=C(c1cnccn1)N1C[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@H]2C1 306123509 APAMKKZQWKEJFB-ZBFHGGJFSA-N 358.423 0.763 0 40 FCAB COc1cnc(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@@H]3CC2)nc1 1565548932 IYJBIAGEHPBTDK-CVEARBPZSA-N 363.462 0.352 0 40 FCAB O=C([C@H]1CN(c2ccc3nncn3n2)CCO1)N1CCC(F)(F)CC1 2086884722 ODCUXMDCZNXGQJ-LLVKDONJSA-N 352.345 0.587 0 40 FCAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)NCc2ccccc2)n(C)c1=O 974243 WVDUMBRSLZQIPL-UHFFFAOYSA-N 361.789 0.404 0 40 FCAB COc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OC 4488475 GLPXLWSSFHORED-UHFFFAOYSA-N 355.782 0.842 0 40 FCAB CCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2CCOC)n(C)c1=O 12517907 SPCXVHLXSKXEOI-UHFFFAOYSA-N 360.418 0.756 0 40 FCAB CC(C)c1ccc(CN2CCN(C(=O)CN3CCNC(=O)C3)CC2)cc1 12810790 HNDGRTALKCPQGS-UHFFFAOYSA-N 358.486 0.886 0 40 FCAB COc1ccc([C@H](C)NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1OC 20030451 XBPGLDYBHKWWOG-QMMMGPOBSA-N 369.399 0.428 0 40 FCAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2F)CC1 22892177 SSWOBSYMLYQNLH-GFCCVEGCSA-N 350.394 0.818 0 40 FCAB CCc1nnc(SCC(=O)Nc2cc(OC)ccc2OC)n(N)c1=O 28561739 QKJXWSKYSMKOAO-UHFFFAOYSA-N 365.415 0.663 0 40 FCAB Cn1ccnc1[C@H](NS(=O)(=O)N1CCOCC1)c1ccccc1F 32900067 RZCCVHNWBALFQK-CQSZACIVSA-N 354.407 0.815 0 40 FCAB COc1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 38717728 CKKUSBIXCRCJQG-UHFFFAOYSA-N 363.395 0.598 0 40 FCAB CC1=C(CC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@H](O)C1 49181274 QOLJILMTPKQQQA-AHDKKFSPSA-N 374.474 0.469 0 40 FCAB biogenic,in-vitro Cc1nc(-c2ncccn2)sc1C(=O)N(C)CC(=O)N1CCOCC1 68010906 MXUBSNVAWNULEC-UHFFFAOYSA-N 361.427 0.839 0 40 FCAB COc1cccc(Cn2c(=O)c3c(nc4n3CC(C)=NN4)n(C)c2=O)c1 72236029 JUDXCUXFYFXNEC-UHFFFAOYSA-N 354.370 0.755 0 40 FCAB COc1ccc([C@@H]2C[C@H](C(=O)N3CCOCC3)N(C)S(=O)(=O)N2)cc1 72389504 DICFIRBHBZNIKC-LSDHHAIUSA-N 369.443 0.134 0 40 FCAB CS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C(=O)Cc3cccs3)C2)C1 96107877 FETJXJIKXTWLCA-SWLSCSKDSA-N 358.485 0.990 0 40 FCAB Cn1ccc(C(=O)N2CC[C@]3(CCn4ncnc4[C@H]3NC(=O)C3CC3)C2)n1 306144331 ZCTWHPBIGQIGRO-KDOFPFPSSA-N 369.429 0.515 0 40 FCAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1 408606865 PDFABKUXKPLXQJ-ZDUSSCGKSA-N 366.443 0.765 0 40 FCAB O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CN2CCC(O)CC2)C1 585285855 UOXDGTZKAFTQNC-FUHWJXTLSA-N 368.861 0.735 0 40 FCAB CO[C@@H]1CN(C(=O)CN2CCc3ccccc3C2=O)C[C@H]1c1cnn[nH]1 622166655 QTSHRDRARQPYIM-GOEBONIOSA-N 355.398 0.444 0 40 FCAB CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C(=O)O)C(C)C)CC1 2123581 NEJVSCGIBKIHKH-QWHCGFSZSA-N 359.492 0.531 0 40 FCAB biogenic COc1ccc(CCn2c(NCCCO)nc3c2c(=O)[nH]c(=O)n3C)cc1 2336590 WVVKPWVQSJFKIO-UHFFFAOYSA-N 373.413 0.469 0 40 FCAB CSCC[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O 2430883 DCYYSLYFHPTMEK-LBPRGKRZSA-N 350.400 0.504 0 40 FCAB CCCNC(=O)COC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 5485444 ZVAQXYIENWEYKL-SFHVURJKSA-N 361.398 0.831 0 40 FCAB CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)O 5706781 YVUXDVLDLAQYEC-STQMWFEESA-N 370.427 0.596 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nn2cnnc2)cc1 9134372 VWMWBHYIVUXFCT-AWEZNQCLSA-N 365.415 0.600 0 40 FCAB Cc1ccc(CN(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1 9762310 OUVQWAFMQXVLJM-UHFFFAOYSA-N 351.428 0.522 0 40 FCAB COC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 16576520 FHUNBLVGMIUWBN-NSHDSACASA-N 360.432 0.475 0 40 FCAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CN(c2ncccn2)CCO1 19747316 MCXFWLQMYMLUCG-AWEZNQCLSA-N 354.370 0.168 0 40 FCAB CNC(=O)NC(=O)[C@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23627755 JTTNSMSSLPSUMU-LBPRGKRZSA-N 363.418 0.213 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2CCCc3ccccc32)n(C)c1=O 25329964 LMUDWESWOQLLET-CQSZACIVSA-N 367.409 0.628 0 40 FCAB Cc1cnc(NC(=O)CNC(=O)Cn2nnc3ccccc3c2=O)s1 36367033 MPZJYMDNHHDIHI-UHFFFAOYSA-N 358.383 0.311 0 40 FCAB CNC(=O)NC(=O)CN1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 58193592 NYUAZKZRFDPCKL-UHFFFAOYSA-N 357.414 0.771 0 40 FCAB COc1ccc([C@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F 58320617 ABOBFSGIUDEFFZ-VIFPVBQESA-N 371.390 0.271 0 40 FCAB COC(=O)[C@@H](CCSC)NC(=O)c1ccc(F)cc1-n1cnnn1 95471339 UVLWUXCOYFPSCI-LLVKDONJSA-N 353.379 0.826 0 40 FCAB CS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3[nH]cnc23)CC1 95948763 FKRQRNPKWALZFJ-UHFFFAOYSA-N 364.353 0.890 0 40 FCAB O=C(NCc1ccccn1)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124074 FYJRFUDZCRKBBT-CQSZACIVSA-N 364.413 0.985 0 40 FCAB Cn1ccnc1CN1CC[C@H]2OCCN(S(=O)(=O)C3CC3)[C@@H]2CC1 96249484 DPASSACOARWACY-HUUCEWRRSA-N 354.476 0.578 0 40 FCAB COC(=O)CSc1nc2[nH]c(CSc3ncccn3)cc(=O)n2n1 100071787 KRWYSAXYGCESNX-UHFFFAOYSA-N 364.412 0.765 0 40 FCAB COCCn1/c(=N\C(=O)CN(C)S(C)(=O)=O)sc2cc(C)ccc21 100873793 TZVDXORZGUPMLI-FOCLMDBBSA-N 371.484 0.976 0 40 FCAB CN1CCC2(CC1)CN(C(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1)CCN2C 106727521 LLNFKKKMXMIRTO-MSOLQXFVSA-N 370.497 0.755 0 40 FCAB O=C(NCC(=O)N1CCC(N2C(=O)CNC2=O)CC1)OCc1ccccc1 245026669 NFPYZCLHMPYHEW-UHFFFAOYSA-N 374.397 0.456 0 40 FCAB O=C(Cn1cc(COc2cccc(F)c2)nn1)NCCC(=O)NC1CC1 252500278 SQVZPUDSKYRSIR-UHFFFAOYSA-N 361.377 0.781 0 40 FCAB CCOc1ccccc1-n1nc(C(=O)O)c(N2CCN(CCO)CC2)n1 256047524 MXZYCEBPSVQHMG-UHFFFAOYSA-N 361.402 0.479 0 40 FCAB CC(=O)N1CCC(N2C[C@@H]3Oc4ccccc4S(=O)(=O)N[C@@H]3C2)CC1 514289669 NGMFHESOBFEZRW-ZBFHGGJFSA-N 365.455 0.421 0 40 FCAB biogenic,in-vitro Cc1cc(F)ccc1S(=O)(=O)N1CC(N2CCC(C(N)=O)CC2)C1 575605714 MLHKSZNXQFUVHZ-UHFFFAOYSA-N 355.435 0.704 0 40 FCAB O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCN(c2nccn3cnnc23)C1 575615961 ICLQJZFZXNUAAQ-ZDUSSCGKSA-N 366.381 0.791 0 40 FCAB CN1CC[C@@H](NC(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)C1=O 583621769 LHUWMXAGVCLSCU-CABCVRRESA-N 374.445 0.390 0 40 FCAB C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)c1cnccn1 585097095 FRUFLCRRTVXYLJ-CYBMUJFWSA-N 352.398 0.831 0 40 FCAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)c3ccnnc3)cc2NC1=O 585280752 AJZVMMMCDRGCAZ-GFCCVEGCSA-N 362.367 0.705 0 40 FCAB CSCC[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 600109751 PYJMZFBFMDSAJI-BFHYXJOUSA-N 370.519 0.536 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)CCO1 681943754 OMALBJDINFZXDE-HNNXBMFYSA-N 362.382 0.396 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3ccc(C)nc3C(C)C)C2)C1 685942936 UQJAXUCWBCHWKA-ZDUSSCGKSA-N 358.442 0.932 0 40 FCAB Cc1noc(C)c1C(=O)N1C[C@@H]2OCCS(=O)(=O)N(CC(C)C)[C@@H]2C1 1534639835 JYTVQAUZOCYBMI-KGLIPLIRSA-N 371.459 0.802 0 40 FCAB COCCN1C(=O)CC2(CCN(Cc3cnn(C)c3)CC2)n2nccc21 1772596406 DYSYXUGHMNZPHL-UHFFFAOYSA-N 358.446 0.991 0 40 FCAB COc1cc(C(=O)N2CCC3(CC2)C[C@@H](OCC(=O)N(C)C)CO3)on1 2055837476 JUMQILWWRYYMET-GFCCVEGCSA-N 367.402 0.552 0 40 FCAB CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1 4386233 FVUAPKJGAZFMIF-GFCCVEGCSA-N 373.413 0.224 0 40 FCAB CC1(C)O[C@H]2O[C@@H]3[C@H](CNCCO)O[C@H](c4ccccc4)O[C@H]3[C@H]2O1 4777510 WNXSLSQRNSYQQJ-MHKQFDIHSA-N 351.399 0.928 0 40 FCAB C[C@@H](O)CNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6719667 GARBMSZNSYKFKG-SSDOTTSWSA-N 355.416 0.134 0 40 FCAB Cc1cccc(-n2nnnc2SCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 7156292 GHEZDAVKOSKHGI-LLVKDONJSA-N 367.456 0.366 0 40 FCAB CN(C(=O)CCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 14180459 RDRCHIXCBBBYCW-LBPRGKRZSA-N 371.459 0.277 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc3cccnc23)n(C)c1=O 14517742 LZMSBAHKEAOZKC-UHFFFAOYSA-N 364.365 0.621 0 40 FCAB Cn1c(=O)n(C)c2cc(CNCCc3ccc(S(N)(=O)=O)cc3)ccc21 32616873 DLCFWIGPAKPXIB-UHFFFAOYSA-N 374.466 0.857 0 40 FCAB CNC(=O)c1nnsc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33435736 VISPPAXUBHKINM-ZJUUUORDSA-N 374.426 0.711 0 40 FCAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cnc2sccn2c1=O 40016082 WDWKXTQNDIMALQ-UHFFFAOYSA-N 361.383 0.656 0 40 FCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 48250623 FZGMZPPKNSPWCX-ZDUSSCGKSA-N 368.459 0.405 0 40 FCAB NC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)cc1 49543619 BOSLZMHERKYMIZ-AWEZNQCLSA-N 352.350 0.865 0 40 FCAB biogenic O=C1COc2ccc(S(=O)(=O)NCCNC(=O)C3CCCC3)cc2N1 58178734 NURCJCTXXIKIQK-UHFFFAOYSA-N 367.427 0.602 0 40 FCAB CCCn1ccc(C(=O)NC2CCN(S(=O)(=O)CCOC)CC2)n1 72265417 NFKZAZWOEMJSTM-UHFFFAOYSA-N 358.464 0.464 0 40 FCAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCCN2C(=O)CCC2=O)O1 89662548 SLMVFAWQWXYJJP-VXGBXAGGSA-N 369.418 0.324 0 40 FCAB Cc1ncoc1C(=O)N1CCC2(CCOC[C@H]2NS(C)(=O)=O)CC1 96219316 PCBLXJFWTSKXJJ-GFCCVEGCSA-N 357.432 0.544 0 40 FCAB Cn1cccc1C(=O)N1CC[C@]2(CC(C(=O)NC[C@H]3CCCO3)=NO2)C1 96225626 NNRIGILUCHASFT-ACJLOTCBSA-N 360.414 0.681 0 40 FCAB Cn1ccnc1CN(C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CC1 103239574 QFIITHPCSLARTR-MWDDYTRKSA-N 354.410 0.718 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)Cc2cccs2)Cc2ccnn2C1 247506061 GXFXGCLFIBSSLZ-GFCCVEGCSA-N 368.484 0.695 0 40 FCAB COc1cccc([C@H]2C[C@@](O)(CNC(=O)c3ccncn3)[C@H](O)[C@@H](C)O2)c1 257233341 GOWQYTPDEYWRRI-MYFFOXHASA-N 373.409 0.857 0 40 FCAB CN1CCOC[C@]2(CC[C@@H](CNS(=O)(=O)Cc3ccccc3)O2)C1 306126797 FFNICLWKPHLARB-IRXDYDNUSA-N 354.472 0.986 0 40 FCAB Cc1ccc(C(=O)N2C[C@H]3OC[C@@H](CNS(C)(=O)=O)[C@H]3C2)cc1C 306135393 OPPQLHSGYCUNQA-BZUAXINKSA-N 352.456 0.940 0 40 FCAB O=C(c1c[nH]nc1[C@H]1CCOC1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 333243408 BUQLNKGBCITWGD-QWHCGFSZSA-N 368.459 0.554 0 40 FCAB CN1CCN(C[C@@H]2OC[C@H](NC(=O)c3ccc(F)c(Cl)c3)[C@H]2O)CC1 514288400 CONWEQIERZCREC-HRCADAONSA-N 371.840 0.585 0 40 FCAB biogenic,in-vitro Cc1snnc1C(=O)N1C[C@H]2OC[C@H](C(=O)NCc3cccnc3)[C@H]2C1 585108479 ONRVQSFOUVIZJF-HZSPNIEDSA-N 373.438 0.645 0 40 FCAB COc1cccc([C@@H](C(=O)O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 634693437 XRERLBABRJCGQS-AWEZNQCLSA-N 357.432 0.245 0 40 FCAB CN(C1CC1)S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 682701941 YYNPPJGTFFAJAC-ZIAGYGMSSA-N 367.427 0.342 0 40 FCAB COCCN1CC2(CCN(C(=O)c3ncn(C)n3)CC2)C[C@@H]1COC 1565541838 ZHPRJHFAQCURLW-CQSZACIVSA-N 351.451 0.405 0 40 FCAB COc1cc(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)on1 1565542622 RPYMFACCGUGKOB-UHFFFAOYSA-N 361.402 0.410 0 40 FCAB Cn1c(C(=O)N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)cccc1=O 1565555369 YVPUGQAKYKIHRQ-UHFFFAOYSA-N 351.428 0.025 0 40 FCAB C[C@@H](NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(N)=O 4186538 WKHRXLSMDHFXPH-NXEZZACHSA-N 359.423 0.602 0 40 FCAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2nccnc2N)cc1 5040422 ZUYGRJWFMIUXQN-UHFFFAOYSA-N 357.370 0.621 0 40 FCAB Cc1ccc(CN2C(=O)NC3(CCN(S(C)(=O)=O)CC3)C2=O)cc1 11694157 OOFMEHNGBQSEQF-UHFFFAOYSA-N 351.428 0.841 0 40 FCAB C[C@@H]1CN(C(=O)CSc2nnc(CCC(N)=O)n2C2CC2)CCO1 12764351 ZHKKDJKLEYRKSI-SNVBAGLBSA-N 353.448 0.370 0 40 FCAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5C=C34)[C@@H]2C1=O 13016653 DZZSDUMZGMILBC-MIQDQTKXSA-N 364.404 0.630 0 40 FCAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)cc1C 23249160 ZXCBMHNITACSFP-UHFFFAOYSA-N 374.485 0.718 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2)cc1 38717324 RUUDJQVLWUZOJV-UHFFFAOYSA-N 351.359 0.728 0 40 FCAB CCC[C@@H](C)NC(=O)COC(=O)c1ccc(OC)c(S(N)(=O)=O)c1 39580357 VGRDMMWJOMHWFI-SNVBAGLBSA-N 358.416 0.804 0 40 FCAB O=C(CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)NCCc1ccccc1 58282501 GCIKXPJXDDFYDP-AWEZNQCLSA-N 353.444 0.079 0 40 FCAB O=C(CN(CCO)CCN1CCOCC1)N1CCSc2ccccc21 75094045 MFFYFQQKMLTGRV-UHFFFAOYSA-N 365.499 0.752 0 40 FCAB C[C@H](NC(N)=O)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 81118718 OHCDQPYNTADSLR-NSHDSACASA-N 352.822 0.610 0 40 FCAB COCCS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](CO)SC)cc1 84139680 FCMHGIRPUBIBHF-BXUZGUMPSA-N 361.485 0.949 0 40 FCAB CN1CCN([C@H]2CCCCN(C(=O)c3ccc(OCC(N)=O)cc3)C2)CC1 89382634 UPFQNUTYARWBDX-KRWDZBQOSA-N 374.485 0.793 0 40 FCAB CCCOc1ccc(N2C(=O)C[C@@H](NCCN3CCN(C)CC3)C2=O)cc1 95241505 BPYDJPUNMZTYLQ-GOSISDBHSA-N 374.485 0.944 0 40 FCAB COc1cccc(CNC(=O)c2nc3c(o2)CN(S(C)(=O)=O)C3)c1 96147317 GEFNJROQFPHJKM-UHFFFAOYSA-N 351.384 0.888 0 40 FCAB COC(=O)[C@H]1[C@@H]2C[C@@H]([C@H]1C(=O)OC)[C@@H]1[C@@H]2N1S(=O)(=O)c1ccccc1 104092591 JXWUAKPSMRTVHW-MEGUEHKGSA-N 365.407 0.656 0 40 FCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(CC3CC3)C2)C(=O)N1Cc1ccccc1 225382282 KMDKOQWGRVYWAT-SJORKVTESA-N 355.438 0.455 0 40 FCAB biogenic,in-vitro Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2cnc3ccccc3n2)C1 225677618 IMVCFNYKORDRHV-UHFFFAOYSA-N 357.395 0.662 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247541378 SKCKJJGICRNHKS-CQSZACIVSA-N 364.427 0.718 0 40 FCAB Cc1ccsc1CN1C[C@@H](O)[C@](O)(CNC(=O)c2cscn2)C1 257310587 UFTWSYXFUKTIGR-HIFRSBDPSA-N 353.469 0.851 0 40 FCAB COCCCn1ccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)n1 265541466 OXHSGOZMZCFAOP-GFCCVEGCSA-N 359.452 0.465 0 40 FCAB CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@@H](c2nccn2C)C2CC2)C1 585123273 UDEORQOHMRPYKB-GXTWGEPZSA-N 369.491 0.842 0 40 FCAB O=C(CN1CCOCC1)NCCNS(=O)(=O)c1ccc(Cl)cc1 585655928 HYJGYNVUVQBOAY-UHFFFAOYSA-N 361.851 0.067 0 40 FCAB O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cc(N2CCNC2=O)ccc1F 616772054 GHSWFPXVOCLOPJ-RRFJBIMHSA-N 359.361 0.656 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 643695323 LQKHXLRTWKYDRS-MRXNPFEDSA-N 354.428 0.273 0 40 FCAB CC(C)N(C)Cc1cc(=O)n2c(n1)CN(C(=O)Cn1ccccc1=O)CC2 1565554662 DDEDQJMQZCRJHD-UHFFFAOYSA-N 371.441 0.288 0 40 FCAB COC[C@@H]1CCC2(CCN(C(=O)c3ccnn3C)CC2)N1S(C)(=O)=O 1614948496 YCONUVNOJQWSBJ-ZDUSSCGKSA-N 370.475 0.465 0 40 FCAB Cc1nc2ncnn2c(N2CCO[C@H](C(=O)N3CCSCC3)C2)c1C 1888860004 MCFAMIDFPPWCLK-ZDUSSCGKSA-N 362.459 0.522 0 40 FCAB Cc1ccc(C(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)s1 1889071146 SSMNUOWIVVQPJN-UHFFFAOYSA-N 362.455 0.853 0 40 FCAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)CN2CCOCC2)C1 2055751097 HULGQOQOKBTKLF-HXUWFJFHSA-N 374.485 0.880 0 40 FCAB O=C(OCC(=O)N1CCNC1=O)c1cccc(I)c1 5473264 GGODUCRIFNPQTA-UHFFFAOYSA-N 374.134 1.000 0 40 FCAB COc1cccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 7506769 UHRNFNXITIPUGP-URWSZGRFSA-N 353.396 0.555 0 40 FCAB COc1cc(N2C[C@@H](CNS(C)(=O)=O)OC2=O)cc(OC)c1OC 8838685 DMQMVOITZRVSDT-SNVBAGLBSA-N 360.388 0.587 0 40 FCAB COc1cccc(C(=O)O[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 8987807 ZYLSKZLKEDULLB-VIFPVBQESA-N 361.354 0.103 0 40 FCAB CCN1c2nc3ccccn3c(=O)c2C[C@]2(C(=O)NC(=O)N(C)C2=O)[C@@H]1C 9330088 PQGLDAGJJPGXHO-XTZNXHDOSA-N 369.381 0.160 0 40 FCAB O=C(O)[C@H](Cc1ccccc1)NC(=O)n1c(=O)[nH]c2ccccc2c1=O 11766947 KBKDGGBFOVIJCM-AWEZNQCLSA-N 353.334 0.943 0 40 FCAB CCCS(=O)(=O)N[C@H](C)C(=O)NCc1cccnc1N1CCOCC1 42494995 KUSYHHSFPNCYFN-CYBMUJFWSA-N 370.475 0.252 0 40 FCAB O=C(NCCN1CCOCC1)C(=O)Nc1cccc(Br)c1 42645757 SFVZLACLHMNDNX-UHFFFAOYSA-N 356.220 0.836 0 40 FCAB COC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 52795668 OIKYCQUOQRVREF-UHFFFAOYSA-N 354.428 0.719 0 40 FCAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 71288010 DMJDRQOEWSMHDZ-ZIAGYGMSSA-N 359.382 0.554 0 40 FCAB CCOC(=O)CC(=O)NC1(CC(=O)OC)CN(C(=O)OC(C)(C)C)C1 95937854 NZEZRPJMLLBWMZ-UHFFFAOYSA-N 358.391 0.608 0 40 FCAB in-vitro CC[C@H](C)N1C(=O)[C@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 102856013 AWHPEGKWPUMIRZ-LXPCDJKHSA-N 370.409 0.081 0 40 FCAB COc1nn(C)cc1C(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12 225744783 GGDJOFMJAZEIJR-UHFFFAOYSA-N 368.357 0.760 0 40 FCAB O=C([C@H]1COC2(CN(Cc3ccncc3)C2)CN1CC1CC1)N1CCCO1 247859554 MBNVHVCEVFSGRM-GOSISDBHSA-N 372.469 0.911 0 40 FCAB CN(C)C(=O)COCC[C@H]1CCOC2(C1)CN(c1ccc3nncn3n1)C2 248043387 VWTBMAIPYAHISZ-AWEZNQCLSA-N 374.445 0.605 0 40 FCAB Cn1cnc(S(=O)(=O)N2CC3(C2)OCC[C@H]3COc2cccnc2)c1 248160539 XKBDICLRYGGWCQ-ZDUSSCGKSA-N 364.427 0.674 0 40 FCAB CN(C)Cc1cn(-c2ccccc2C(=O)NCCN2CCOCC2)cn1 257243340 IGMXTGFPTNTPMZ-UHFFFAOYSA-N 357.458 0.996 0 40 FCAB Cn1nccc1C(=O)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257343633 ZTUPYPQRRRCPCN-IRXDYDNUSA-N 354.410 0.715 0 40 FCAB O=C(O)[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)[C@H]1CCOC1 548535559 JKBOBWPLTADYLZ-FZMZJTMJSA-N 351.384 0.640 0 40 FCAB CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)cc1 572095529 FWCYXRIQGJDCNT-ZDUSSCGKSA-N 356.400 0.755 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cccc(Cn2cncn2)c1 585123782 MUUOGJDDGMZUMH-SFHVURJKSA-N 357.414 0.694 0 40 FCAB COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)Cc2ccccc21 600883259 HRUWSJORMVEFHG-TZMCWYRMSA-N 352.412 0.656 0 40 FCAB O=C(NCC[C@]1(O)CCCOC1)c1ccc(C(=O)N2CCOCC2)cc1 628009619 UZBFOHHPPQTDJN-LJQANCHMSA-N 362.426 0.820 0 40 FCAB CC[C@H](C)NC(=O)CN1C[C@H](CC(N)=O)[C@H](OC(=O)c2ccccc2)C1 643587087 SYBQOJMCTKEKIL-CWRNSKLLSA-N 361.442 0.934 0 40 FCAB OC[C@@H](O)[C@H]1OCCCCCCN(Cc2cccc(O)c2)C[C@H](O)[C@H]1O 643913180 JJGGEUVCIQDSPJ-WJFTUGDTSA-N 369.458 0.228 0 40 FCAB Cc1nc([C@@H]2COCCN2C(=O)Cn2cc(Br)cn2)no1 679452240 FXRXRRMGIIWMOF-JTQLQIEISA-N 356.180 0.937 0 40 FCAB Cc1nc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCN(C)CC3)C2)cs1 1565549068 OUHPFVZXSJDHTC-VNHYZAJKSA-N 364.471 0.455 0 40 FCAB CC(C)N1C[C@@H]2[C@H]([C@H]3C[C@H]2CN(C(=O)c2csnn2)C3)S1(=O)=O 1565550207 UPJQEGOJUNHFDU-ZPFDUUQYSA-N 356.473 0.669 0 40 FCAB Cn1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)nn1 1888906378 ZNOYXJNLLAYRKU-BETUJISGSA-N 351.414 0.910 0 40 FCAB CC(C)CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F 3806420 PPVCPOIDSSQXMR-UORFTKCHSA-N 359.354 0.616 0 40 FCAB in-vitro CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(N)=O)c2ccccc21 5087508 QWDFWZREUDVDCE-UHFFFAOYSA-N 351.428 0.769 0 40 FCAB O=C1Nc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)[C@]1(O)C(F)(F)F 5322991 HNTQNNMAPTWKOD-CQSZACIVSA-N 355.272 0.481 0 40 FCAB CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)NCCN(C)C 5412670 DYIANAGXBZJLBN-HOTGVXAUSA-N 354.495 0.855 0 40 FCAB biogenic,in-vitro Cn1cnc2c1c(=O)n(CCCSc1nnc(C3CC3)o1)c(=O)n2C 7242598 KWIIGEMKNZRMEY-UHFFFAOYSA-N 362.415 0.877 0 40 FCAB COc1cc2ncn(CCCC(=O)O[C@H](C)C(N)=O)c(=O)c2cc1OC 12707192 PRNWDTQAMQAUTK-SNVBAGLBSA-N 363.370 0.611 0 40 FCAB COCCn1c(N)cc(=O)n(CC(=O)Nc2ccc(C)cc2Cl)c1=O 12975813 LLNAYGKCZNTUSS-UHFFFAOYSA-N 366.805 0.839 0 40 FCAB CCn1nnc2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)ncnc21 13534511 FATQJBUYEUBTKK-UHFFFAOYSA-N 373.442 0.752 0 40 FCAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O 13984641 AALCRZGPYXGTMM-KPZWWZAWSA-N 359.382 0.663 0 40 FCAB CN(C(=O)CCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 14180457 RDRCHIXCBBBYCW-GFCCVEGCSA-N 371.459 0.277 0 40 FCAB CCCn1c(=O)[nH]c(O)c([C@H]2NCCc3cc(OC)c(OC)cc32)c1=O 20567689 OTCDTUSNRWESBB-HNNXBMFYSA-N 361.398 0.905 0 40 FCAB biogenic COc1ccccc1CCNC(=O)c1ccc2c(=O)[nH]c(=O)n(C)c2n1 32816165 KITQLDOMCYVZLU-UHFFFAOYSA-N 354.366 0.603 0 40 FCAB CC1(C)S[C@@H]([C@@H](NC(=O)[C@H](N)c2ccccc2)C(=O)O)N[C@H]1C(=O)O 34648375 KDAWOPKDXRJNHV-DCQANWLSSA-N 367.427 0.150 0 40 FCAB C[C@@H]1Oc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)O)C3)cc2NC1=O 34933784 KGEXXCRLFSLOSR-UWVGGRQHSA-N 354.384 0.891 0 40 FCAB COCCn1nc(C(=O)Nc2cccc(Cn3cncn3)c2)ccc1=O 40146952 FQFFSJZZNZKTAT-UHFFFAOYSA-N 354.370 0.782 0 40 FCAB O=S1(=O)CC[C@H](NS(=O)(=O)c2ccc(Br)s2)C1 41573370 OQCSOEADRYUEKB-LURJTMIESA-N 360.276 0.976 0 40 FCAB COC(=O)C[C@H](NS(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OC 42632090 FFUBBVZWRKZFFB-AWEZNQCLSA-N 353.396 0.998 0 40 FCAB CC(C)(CNC(=O)CSc1nc(=O)ccn1C1CC1)N1CCOCC1 75584298 UPECEIWAEFHLLQ-UHFFFAOYSA-N 366.487 0.897 0 40 FCAB CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NCCN1CCOCC1 89943636 JAYCPOKYVMZMPQ-OAHLLOKOSA-N 369.487 0.870 0 40 FCAB CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)Cc3cccs3)C2)C1 96107904 FETJXJIKXTWLCA-IUODEOHRSA-N 358.485 0.990 0 40 FCAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N=c3[nH]cc[nH]3)C2=O)cc1 96114221 DCALVOWNDCWYRR-ZDUSSCGKSA-N 357.370 0.332 0 40 FCAB biogenic O=C(C1CC=CC1)N1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 96160801 JVCUVFSRDQSLBD-LPHOPBHVSA-N 359.426 0.986 0 40 FCAB COc1cc(=O)n(CC(=O)NCCN2CCOCC2)nc1-c1ccccc1 96184150 FTLAFHJZVSESNG-UHFFFAOYSA-N 372.425 0.367 0 40 FCAB CS(=O)(=O)N[C@H]1COCCC12CCN(C(=O)c1ccccn1)CC2 96218700 ZEGRFHTXGLMVCI-AWEZNQCLSA-N 353.444 0.642 0 40 FCAB CCNC(=O)NC(=O)[C@H](C)N1CCC(NC(=O)c2scnc2C)CC1 96314771 LVWWQLYHFGXGKC-NSHDSACASA-N 367.475 0.880 0 40 FCAB Cc1cc(CN2CC3(C2)CN(CC2CC2)[C@@H](C(=O)N(C)C)CO3)n(C)n1 247987943 KXYGFFJKJNUALR-QGZVFWFLSA-N 361.490 0.482 0 40 FCAB Cc1nnc(N2CC3(C2)OCC[C@@H]3CCNS(=O)(=O)C2CC2)s1 248004838 HAMCPJXKDOBUER-NSHDSACASA-N 358.489 0.914 0 40 FCAB Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)/C=C/C(=O)O)C3)c2n1 257289630 PZMZCXIGAGRCLW-ZMBJWTFHSA-N 370.409 0.979 0 40 FCAB O=C(c1ccco1)N1CC[C@]2(C1)Cn1c(nn(CC3CC3)c(=O)c1=O)CO2 306143194 XVNXVGPGSGHQKR-SFHVURJKSA-N 372.381 0.223 0 40 FCAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCN1CCCC1=O 524731123 KTTVJEQKXYMOGC-CRFBAAHOSA-N 357.410 0.835 0 40 FCAB biogenic O=C(N[C@@]1(CO)COc2ccccc2C1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 529820990 IFQSAJUMEUGEEI-WBMJQRKESA-N 372.343 0.880 0 40 FCAB CNC(=O)C[C@@]1(OC)COCCN(C(=O)c2ccc(COC)cc2)C1 585280726 ODIGRTWJJBPCDW-SFHVURJKSA-N 350.415 0.827 0 40 FCAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NC(=O)NCc2ccccc2)[C@H]2CO[C@@H]1O2 952844603 AOMBAVWVHIMTQF-OVYGPGRDSA-N 358.398 0.717 0 40 FCAB biogenic,in-vitro Cc1noc(C)c1S(=O)(=O)N1CC(Oc2ccnc(C(N)=O)c2)C1 1889186913 ZVYRBLQTABZIJZ-UHFFFAOYSA-N 352.372 0.237 0 40 FCAB CNC(=O)CN1CCC2(CCCN(C(=O)c3ncc(OC)cn3)C2)CC1 2055793373 VIWMUGOWCBHDMB-UHFFFAOYSA-N 361.446 0.549 0 40 FCAB Cn1c(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)cccc1=O 2055795958 ACDPRLGRHKLOFC-OAHLLOKOSA-N 373.453 0.780 0 40 FCAB COc1cnc(C(=O)N2CC3(C[C@H](N4CCOCC4)CS3)C2)nc1 2056224783 VNOQDRDCQSCLNF-LBPRGKRZSA-N 350.444 0.518 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)CCNC(=O)c2ccccc2)cc1 3439460 VIKXQLJVZJZBPQ-UHFFFAOYSA-N 361.423 0.770 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnnn1 5262175 YGNSXXPYVCIUIN-UHFFFAOYSA-N 364.431 0.795 0 40 FCAB Cc1ccc(Nc2nc(N)nc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1 5392851 VQITYXMXZZEURX-XQCUEUFKSA-N 372.385 0.072 0 40 FCAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(O)c2)c1 5787250 WGRXSILBCKVUFZ-UHFFFAOYSA-N 350.352 0.835 0 40 FCAB COC(=O)c1ccc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 7416371 ANYANEOZGVRJGO-UHFFFAOYSA-N 362.773 0.922 0 40 FCAB CNC(=O)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 8190683 BSVKWJVVJRQHDO-UHFFFAOYSA-N 372.472 0.804 0 40 FCAB CCc1nnc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)s1 9492297 RLARHNNBGOTFRP-QMMMGPOBSA-N 371.444 0.205 0 40 FCAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCCC1 11905917 LWOWPIAYSSLLHR-UHFFFAOYSA-N 358.441 0.846 0 40 FCAB CCOC(=O)C1=C(COC(=O)[C@H]2COc3ccccc3O2)NC(=O)NC1 12904660 RGYUWOWCFFLTSW-CQSZACIVSA-N 362.338 0.500 0 40 FCAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)N1CCOCC1 13267506 RNGXZPNHZFZMGI-UHFFFAOYSA-N 353.382 0.780 0 40 FCAB C[C@]1(C(=O)N2CCOCC2)CCCN1C(=O)Cn1nnc2ccccc21 19746797 CDISIZZZZHQCCB-GOSISDBHSA-N 357.414 0.671 0 40 FCAB C[C@H]1CN(C(=O)CN2CCN(C(=O)NC3CCCCC3)CC2)CCO1 40086102 UHTOTDWTKIRVEF-HNNXBMFYSA-N 352.479 0.894 0 40 FCAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(NC(=O)c2scnc2C)CC1 51100257 LVWWQLYHFGXGKC-LLVKDONJSA-N 367.475 0.880 0 40 FCAB CCNC(=O)NC(=O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 53049164 HSLVQSRXLXKXOC-UHFFFAOYSA-N 364.421 1.000 0 40 FCAB Cc1nc(-c2ccc(OC[C@H](O)CN3CCN(CCO)CC3)cc2)no1 72403348 LVJIGGPABQKMDP-MRXNPFEDSA-N 362.430 0.395 0 40 FCAB Cc1ccc(NC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 95385643 UKCPFFVAMDUTAU-CQSZACIVSA-N 369.462 0.877 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)Cc1ccccn1)C2 96050378 MDFPKBPAWNOANO-LJQANCHMSA-N 368.441 0.307 0 40 FCAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2C=CS(=O)(=O)C2)c1 106012367 VOSYLNMMGBMOGP-MRVPVSSYSA-N 351.789 0.627 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)C3CCSCC3)C2)CN1CC1CC1 247979991 XFWJYURGQPXFKE-HNNXBMFYSA-N 367.515 0.567 0 40 FCAB COCCN(C)C[C@]1(O)[C@@H](O)C[C@H](N(C)C(=O)OC(C)(C)C)C[C@H]1O 257212237 CCLWHHCAVDUAGK-VWERNLLFSA-N 362.467 0.047 0 40 FCAB CN(C)S(=O)(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1 257269764 MRHFXHXATSJXCQ-NCOADZHNSA-N 369.487 0.428 0 40 FCAB O=S(=O)(NC[C@H]1CN(Cc2nccs2)Cc2ccnn21)C1CC1 306143502 YDUXMGOJVNLZNR-LBPRGKRZSA-N 353.473 0.978 0 40 FCAB CS(=O)(=O)CC(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 330493964 RRAFGUZRHLJLON-GFCCVEGCSA-N 364.345 0.750 0 40 FCAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCO)c(Cl)c1 408619672 IJULYWLOLMHPLP-UHFFFAOYSA-N 364.851 0.906 0 40 FCAB COc1cccc(OC)c1C(=O)NC(=S)Nc1nnn(CC(C)C)n1 408625346 XQNSWSWVUNXWPQ-UHFFFAOYSA-N 364.431 1.473 0 40 FCAB Cn1cc(C(=O)N2CCC(Nc3cccnn3)CC2)c([C@H]2CCCNC2)n1 573676306 PPJYSMKIQGVFRO-AWEZNQCLSA-N 369.473 1.394 0 40 FCAB CN(C)C(=O)[C@H]1COC2(CN(C(=O)c3c[nH]c4ccccc34)C2)CN1C 575405136 RGLYAIHNGMGJOH-MRXNPFEDSA-N 356.426 0.781 0 40 FCAB C[C@H]1[C@H](C(=O)O)CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 580939494 LMRZSIGSWSEQKJ-SMDDNHRTSA-N 358.460 0.902 0 40 FCAB CN(C)C(=O)C[C@@]1(O)COCCN(Cc2cccc(OCCO)c2)C1 585280620 MDQAECYQELMWFZ-SFHVURJKSA-N 352.431 0.099 0 40 FCAB COc1ccccc1/C=c1\[nH]c(=O)/c(=C\c2ccccc2OC)[nH]c1=O 5023646 SVXGBEWJMBBCQR-UKVBVZPVSA-N 350.374 0.738 0 40 FCAB Cn1c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 5862863 CMDSACXYUPCMAJ-VIFPVBQESA-N 356.429 0.471 0 40 FCAB O=C(NCCO)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 6759921 ITAXCZQWHCZMRY-UHFFFAOYSA-N 370.456 0.201 0 40 FCAB COc1cc(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc(OC)c1OC 7473257 RMQNITGCUXMPSG-INIZCTEOSA-N 357.428 0.948 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 14207212 MKJZQRSVFZAFLZ-UHFFFAOYSA-N 367.518 0.641 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)OCc1nnnn1-c1ccccc1 16275971 COHZFLUWKQDLOV-UHFFFAOYSA-N 363.337 0.511 0 40 FCAB COc1ccc(C(=O)Nc2cnn(CC(=O)NC[C@@H]3CCCO3)c2)cn1 19746149 BLKNNOVIDOGTKD-AWEZNQCLSA-N 359.386 0.834 0 40 FCAB O=c1oc2ccccc2n1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22913295 TZJQCWYQYAUENZ-CYBMUJFWSA-N 351.428 0.357 0 40 FCAB Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)CC[C@H]1NC(=O)NC1=O 25385482 ILWJAXUSACUZQF-MWLCHTKSSA-N 351.334 0.993 0 40 FCAB O=C([C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1)N1CCOCC1 26970001 ORAOVNNTPDSZRE-ZDUSSCGKSA-N 360.432 0.748 0 40 FCAB COc1ccc(C(=O)Cc2c(N(C)C)nc3n(C)c(=O)n(C)c(=O)n23)cc1 28527320 FUMOIJQUFYZISW-UHFFFAOYSA-N 371.397 0.232 0 40 FCAB COc1ccc(N[C@H](C)C(=O)NC(=O)NC2CC2)cc1NS(C)(=O)=O 30026605 HXKRPOCGFVJTCQ-SECBINFHSA-N 370.431 0.855 0 40 FCAB COC(=O)CCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 32990932 SPYBWKXREFJUEV-UHFFFAOYSA-N 356.400 0.000 0 40 FCAB CCOC(=O)/C=c1/s/c(=C\c2ccc(C)cc2C)c(=O)n1CC(N)=O 33528094 VOIWKWMSFBIKPH-UUCQBCLGSA-N 360.435 0.184 0 40 FCAB CCCCOC(=O)Cn1c(=O)c2c(nc3n2CCCS3)n(C)c1=O 33895572 MYAVMWGHVBUPLW-UHFFFAOYSA-N 352.416 0.736 0 40 FCAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)c(OC)c1 45896142 GCLWARHBUOOWCZ-AWEZNQCLSA-N 361.358 0.866 0 40 FCAB CN(C)C(=O)[C@@H]1CN(C[C@H]2CCOC2)C[C@]12Cc1ccccc1C(=O)N2 72334447 JCFWAFLSXJGXOY-CFLQYTFWSA-N 357.454 0.768 0 40 FCAB CCNc1ncc(C(=O)NCCS(=O)(=O)N2CCSCC2)s1 78995662 MFUPKGOYTAVMSR-UHFFFAOYSA-N 364.518 0.683 0 40 FCAB CS(=O)(=O)CC(=O)N1CC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96107808 UEUYHKXDUXYQAR-ZBFHGGJFSA-N 354.428 0.403 0 40 FCAB Cc1ccc(C)c(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)c1 222660605 VSLRJUHDABNPJP-UHFFFAOYSA-N 359.382 0.673 0 40 FCAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CCc1ccc(S(C)(=O)=O)cc1 225632960 UASLHFLLQAYVPZ-DZGCQCFKSA-N 369.439 0.812 0 40 FCAB Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCN(c3ccccn3)CC1)CC2 225740806 SVJRUWXURYPVME-AWEZNQCLSA-N 353.426 0.629 0 40 FCAB CSCC[C@H](NC(C)=O)C(=O)NCCn1nnc2ccccc2c1=O 238886903 QDOBASFKASZBFP-AWEZNQCLSA-N 363.443 0.166 0 40 FCAB O=C(CCn1nnc2ccccc21)N1CC[C@](O)(CN2CCOCC2)C1 257283273 OXPVPTOVOFOTKW-SFHVURJKSA-N 359.430 0.117 0 40 FCAB Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 281642665 RDFSUOLSLOWTRK-RBUKOAKNSA-N 374.441 0.415 0 40 FCAB C[S@](=O)c1nncn1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 329252670 VOAUTMFRSGCNTI-OZAJXLCCSA-N 352.391 0.755 0 40 FCAB Cn1nc(CCNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)c2ccccc21 1517194440 GFVPIQHAGNTCDN-NSHDSACASA-N 369.385 0.246 0 40 FCAB O=C(NC1CCCC1)c1n[nH]c2c1C[C@@H](CNC(=O)[C@@H]1[C@H]3COC[C@H]31)OC2 1565546597 HURUQGXOTUMDDJ-YYWXWVFPSA-N 374.441 0.532 0 40 FCAB CN1[C@H](C(=O)NCC2CC2)C[C@H]2CN(C(=O)CCc3cncnc3)C[C@H]21 1565546844 KYMOESYFOFKWLZ-YESZJQIVSA-N 357.458 0.467 0 40 FCAB Cn1ccc(CC(=O)N2CCC3(CC2)CCN(c2ccn(C)n2)C3=O)n1 1565547616 UPAHJVSBHJCLFU-UHFFFAOYSA-N 356.430 0.742 0 40 FCAB COC1(CC(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)CCC1 1565554154 LAIPHJHRCGXTEC-UHFFFAOYSA-N 359.434 0.918 0 40 FCAB CNC(=O)CN1CCC2(CCCN(C(=O)c3cccn(C)c3=O)C2)CC1 2055793406 YKCSCFFVNCQNRV-UHFFFAOYSA-N 360.458 0.450 0 40 FCAB COc1cnc(C(=O)N2CC3(C[C@H](N4CCOCC4)CS3)C2)cn1 2056223873 JMHCQHKBGZAYRQ-LBPRGKRZSA-N 350.444 0.518 0 40 FCAB COc1cnc(C(=O)N2CC[C@H]3C[C@]32C(=O)NCc2cccnc2)cn1 2056224075 QIIYROUTPMTTOJ-SCLBCKFNSA-N 353.382 0.801 0 40 FCAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)O[C@H](C)C(N)=O 3307619 REKRCHJVUDYGFE-PWSUYJOCSA-N 354.428 0.964 0 40 FCAB Cn1cccc1C(=O)NC(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12 4493021 YEODXTKYKUUOSO-UHFFFAOYSA-N 368.349 0.304 0 40 FCAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nc(N)cc(N)n1 6985787 FGJDISPUMQOWKO-GFCCVEGCSA-N 373.438 0.860 0 40 FCAB NC(=O)NCC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 7984548 YSFXMCWDUPWUDX-UHFFFAOYSA-N 352.263 0.699 0 40 FCAB O=C(CN1CCCc2ccccc21)NC(=O)N[C@@H]1CCS(=O)(=O)C1 8394103 DXSWVPOCNSARIU-CYBMUJFWSA-N 351.428 0.452 0 40 FCAB CCSc1nnc(NC(=O)CSc2nnc(C)c(=O)n2N)s1 12080821 YHKSWFYTEZFUTH-UHFFFAOYSA-N 359.462 0.355 0 40 FCAB Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 12870421 WITXHANZWHCOKK-BQYQJAHWSA-N 360.439 0.966 0 40 FCAB Cn1nc(CC(=O)NCCc2nnc3ccccn23)c2ccccc2c1=O 16491375 BQWLVPRRSLOUFH-UHFFFAOYSA-N 362.393 0.878 0 40 FCAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCN(C)CC1 20411620 MQLKRBUHFQVKKG-SFHVURJKSA-N 370.453 0.842 0 40 FCAB biogenic COCCN(CN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 23623087 YNJJZDFMLLCVGU-CYBMUJFWSA-N 373.475 0.334 0 40 FCAB COCCn1c(N)c(C(=O)CN(C)Cc2ccc(C)cc2C)c(=O)[nH]c1=O 24812898 IWDYYBYSLTVSTD-UHFFFAOYSA-N 374.441 0.697 0 40 FCAB NC(=O)CCN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 25719820 WIPBGDJZPSQLHW-UHFFFAOYSA-N 351.350 0.286 0 40 FCAB CCc1ccccc1NC(=O)CN(C)CC(=O)NC(=O)NCCOC 46560572 LTLYKDFRLJLSKZ-UHFFFAOYSA-N 350.419 0.592 0 40 FCAB O=C(C1CC1)N1CCN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CC1 75164273 GNQUFWQGAVGPLJ-QGZVFWFLSA-N 371.437 0.495 0 40 FCAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCO4)CCO2)cn1 97046828 CJTYULPEZQOXDX-HNNXBMFYSA-N 351.384 0.911 0 40 FCAB CC/C(NCCN1CCNCC1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 101041512 DOSXRMKJTREFII-FOCLMDBBSA-N 371.441 0.428 0 40 FCAB Cc1nn(C)cc1CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1 101616351 MZTPUDTWMWKCCL-OTRWWLKZSA-N 358.442 0.896 0 40 FCAB Cc1n[nH]c(SCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)n1 223027010 OEJZBCUZXIZSMO-UHFFFAOYSA-N 355.401 0.618 0 40 FCAB Cc1c(NC(=O)CN2CCC[C@@](C(N)=O)(c3ccccn3)C2)cnn1C 257306889 SWLMWMJFQQDXMR-SFHVURJKSA-N 356.430 0.581 0 40 FCAB NCc1cccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4ccnc4cn3)C2)c1 257321188 WANFLYFVPUYTKP-DOTOQJQBSA-N 351.410 0.864 0 40 FCAB CNc1nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1CN(C)CC2 257326622 WXXVNSKWIOGGPA-NSHDSACASA-N 354.480 0.102 0 40 FCAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccn(CCOC)n1)C2 306134209 NFTGUYWJBACDQC-ZDUSSCGKSA-N 371.459 0.195 0 40 FCAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2ccncc2)C1 585291033 HYIDXEZDTJPZHZ-QUCCMNQESA-N 355.438 0.738 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(c2ncc(Br)c(OC)n2)C1 643720380 CMHGDYVAALIUOP-CYBMUJFWSA-N 359.224 0.715 0 40 FCAB CC(C)NC(=O)[C@@H]1CN(C(=O)CCc2cncnc2)Cc2ncnn2C1 1565545870 RDFPGHDEBJEBKC-CQSZACIVSA-N 357.418 0.184 0 40 FCAB CN1C(=O)CN(C(=O)[C@@H]2CNC[C@H]2c2cn(C)cn2)Cc2ccccc21 1614996060 XURJPWSQXFDZIB-HUUCEWRRSA-N 353.426 0.728 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccc(C)cn2)CC1 2055746078 HTMUUXVKQPUWKA-UHFFFAOYSA-N 356.430 0.378 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)O)CC2)cc1 2457710 ABCDJDYPJYKEMH-UHFFFAOYSA-N 356.400 0.393 0 40 FCAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(=O)OC)C1=O 2726011 FZCJTLALTJNXHE-INIZCTEOSA-N 351.334 0.272 0 40 FCAB CC(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)O 4042177 VBVNAGGXPWGYAJ-AOLPELCWSA-N 373.402 0.608 0 40 FCAB biogenic OC[C@@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O 4089257 MRPKNNSABYPGBF-PLNCSYRRSA-N 357.370 0.050 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1 4750540 VEKYXQSFOIEOAI-UHFFFAOYSA-N 350.799 0.962 0 40 FCAB COc1ccc(C2=NO[C@H](Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)cc1 5207050 WKJVJTQEZORCCJ-ZDUSSCGKSA-N 369.381 0.636 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 8972209 DOMSBGXMTOVLON-HDUPCWOSSA-N 357.410 0.588 0 40 FCAB CN1[C@@H](C(=O)NCc2cccnc2)C[C@@H](c2ccco2)NS1(=O)=O 12088685 VHPYDKTXQGVHDW-QWHCGFSZSA-N 350.400 0.571 0 40 FCAB CS(=O)(=O)c1cncnc1[C@H]1CCCN(C(=O)N2CCOCC2)C1 12128271 GFYBYQSYNKSPOQ-LBPRGKRZSA-N 354.432 0.512 0 40 FCAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1C 13308682 UCHHWZXLNUQEET-GFCCVEGCSA-N 361.441 0.891 0 40 FCAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 22246618 QFZURSSWMZOOIB-CMPLNLGQSA-N 367.427 0.621 0 40 FCAB Cc1cc(NC(=O)C(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)no1 23127869 ULWJJDZYVPMXGN-CQSZACIVSA-N 372.381 0.638 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 25210047 YJNCMCXCXNNEPS-UHFFFAOYSA-N 363.443 0.437 0 40 FCAB O=C(CN1CCN(C[C@@H](O)c2ccccc2Cl)CC1)N1CCOCC1 40105751 ZKRDOVPPVOUJRO-QGZVFWFLSA-N 367.877 0.850 0 40 FCAB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)NC(N)=O)CC(=O)N3)cc1 40399980 BUVHEYNCHAIRPB-VIFPVBQESA-N 372.341 0.143 0 40 FCAB O=C(NC[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 44456588 LKSNHNPHHNEYTH-VXGBXAGGSA-N 354.403 0.730 0 40 FCAB CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)cc1 58306578 QNTIPIGOIOFLDV-AWEZNQCLSA-N 373.434 0.899 0 40 FCAB COc1ncccc1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95998912 RGSMWLYDLLLLMU-CYBMUJFWSA-N 369.443 0.357 0 40 FCAB CCN1C(=O)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)c2cc(C)ccc21 102085604 BVLMXLRVMJYVEN-MRXNPFEDSA-N 370.413 0.512 0 40 FCAB Cc1cc(N(C)C2CC3(CCN(C(=O)CN4CCOCC4)C3)C2)ncn1 257209407 BQFYFANEPLHTEV-UHFFFAOYSA-N 359.474 0.935 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2nccnc2-c2cnn(C)c2)CC1 257223917 DZMRIQZUNQFNEP-UHFFFAOYSA-N 364.475 0.938 0 40 FCAB Cc1cc2nc([C@H]3CCCCN3C(=O)CNS(C)(=O)=O)ccn2n1 257236421 HCCKCXFQCSJVAT-CYBMUJFWSA-N 351.432 0.641 0 40 FCAB COc1ccccc1N(CC(=O)NCCCn1ccnc1)S(C)(=O)=O 408617183 IJIFTWGTTKILHG-UHFFFAOYSA-N 366.443 0.864 0 40 FCAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 408617888 DXYQBQXMIWUDKE-UHFFFAOYSA-N 356.444 0.921 0 40 FCAB Cn1cc(CN2Cc3cccn3C[C@H](CCNS(C)(=O)=O)C2)cn1 585095560 XCDMIRLCNYIOJB-CQSZACIVSA-N 351.476 0.793 0 40 FCAB Cn1c(C(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)cccc1=O 1565549633 XCUSRKGILGRHAK-UHFFFAOYSA-N 369.425 0.864 0 40 FCAB CCCOC(=O)c1cccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)c1 2606989 MAMCNXMFXQGEOD-UHFFFAOYSA-N 364.383 0.756 0 40 FCAB C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 5360926 WCNURUVYXFYQSA-JTQLQIEISA-N 360.345 0.877 0 40 FCAB CCOC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@H](C(=O)O)CS1 5540044 HZEUEERGLIUFQT-IACUBPJLSA-N 352.412 0.393 0 40 FCAB O=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)c1cccc(F)c1 6817823 DGAZTAVQFAALLG-UHFFFAOYSA-N 372.403 0.950 0 40 FCAB CCCOc1ccnc2c1c(=O)n(CC(=O)NCc1ccco1)c(=O)n2C 9571980 JZJMKDPXKJYQSF-UHFFFAOYSA-N 372.381 0.793 0 40 FCAB Cn1cc(C(=O)N2CCOCC2)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21 12069975 HBHYMXFAYGZJHB-UHFFFAOYSA-N 354.366 0.490 0 40 FCAB COc1ccccc1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O 12360991 QUCNBXQNAPTLIX-UHFFFAOYSA-N 374.441 0.513 0 40 FCAB O=C1N=c2ccccc2=C1c1[nH]c2ccccc2c1NOCC[C@H](O)CO 33943519 CKLAPOFDFZKCPB-LBPRGKRZSA-N 365.389 0.614 0 40 FCAB in-vivo O=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(=O)[nH]c1 44458762 SYHPXEXVKIZLKW-UHFFFAOYSA-N 358.373 0.593 0 40 FCAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)nc1 45919185 UXNPZJBVGLNQBG-UHFFFAOYSA-N 356.382 0.909 0 40 FCAB CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 47652382 OOFQORWPMDCENR-UHFFFAOYSA-N 351.222 0.733 0 40 FCAB O=C(c1c[nH]c2ccccc12)N1CCCN(CC(=O)N2CCNC2=O)CC1 58192563 IAJUAMSLNOGFTD-UHFFFAOYSA-N 369.425 0.868 0 40 FCAB Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 81073644 AFPFZXGMGGIKOY-CYBMUJFWSA-N 361.431 0.990 0 40 FCAB C[C@@H](C(=O)NCCc1nnc2ccccn12)n1nnc2ccccc2c1=O 95478787 MZDKAOKOEFRDKY-LBPRGKRZSA-N 363.381 0.754 0 40 FCAB Cc1ccc(Br)cc1S(=O)(=O)N1CCn2c(n[nH]c2=O)C1 95941964 FFCACJOKQRDZSE-UHFFFAOYSA-N 373.232 0.847 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(=O)C(C)C)C2 96036170 HSCIHEPZDNYMLP-LJQANCHMSA-N 361.490 0.959 0 40 FCAB CC(=O)NCC(=O)N1CCc2nc(-c3cnn(C)c3)nc(NC(C)C)c2C1 96254319 GTBZBRLEMCSXPI-UHFFFAOYSA-N 371.445 0.718 0 40 FCAB CC(=O)Nc1nnc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)s1 225283309 AOSABGOTGHMBLM-VIFPVBQESA-N 370.412 0.615 0 40 FCAB O=C(CN1CCCCCC1=O)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257236282 HBLRYFBFZWAEDD-IIDMSEBBSA-N 353.463 0.119 0 40 FCAB O=C(N[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1O)c1cc[nH]n1 257282685 OUURCMADCQFFEA-HZPDHXFCSA-N 352.398 0.775 0 40 FCAB CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)nc2)C1 270692033 WLGYIOVEKYSGFL-DMDKVIGKSA-N 359.473 0.539 0 40 FCAB Cc1nnc2c(N3CCN(C(=O)c4ccc(N(C)C)nn4)CC3)nccn12 575616885 NZXWQSXDCKHSEK-UHFFFAOYSA-N 367.417 0.251 0 40 FCAB Cc1noc(CC(=O)N2CCC3(CC2)OCC(=O)N(CC2CC2)[C@H]3C)n1 585113537 CWUWILVERHCSSJ-LBPRGKRZSA-N 362.430 0.939 0 40 FCAB O=S(=O)(N[C@@H]1CCNC2(CCC2)C1)c1ccc2nc(O)nc(O)c2c1 658400820 FQIRLEVXTGNKQM-SNVBAGLBSA-N 364.427 0.994 0 40 FCAB CN(C)CCOc1ccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 663584205 KOOBWZJHIAHEQA-IRXDYDNUSA-N 350.463 0.443 0 40 FCAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)Cn1ccccc1=O)CC2 1565554032 PKKZFFLVTUHYSE-UHFFFAOYSA-N 360.439 0.634 0 40 FCAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccc(O)cc3)CC2)O1 1565556607 WXSYVEYIMYLFSL-HNNXBMFYSA-N 370.409 0.865 0 40 FCAB CCC(CC)CN1C[C@@H]2C[C@H](NC(C)=O)CN2C(=O)[C@@H]1CNC(C)=O 2332241979 BTJYIHQKZWUOAC-ULQDDVLXSA-N 352.479 0.349 0 40 FCAB CCNC(=O)C[C@H]1C(=O)N(C)C(=S)N1NC(=O)c1ccc(Cl)cc1 1075603 NICWIFFDVCKZGG-NSHDSACASA-N 368.846 0.939 0 40 FCAB CC(=O)[C@@H](C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(C)c(C)c2)c1=O 4341851 XAXTZXSLTZKYBR-HNNXBMFYSA-N 368.397 0.812 0 40 FCAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC2(CC1)OCCO2 4940585 CYOLMXSEENEWPV-UHFFFAOYSA-N 366.395 0.197 0 40 FCAB CCCCn1c(N)c(N(CC)C(=O)CN2CCCCC2)c(=O)[nH]c1=O 7338928 GFWRPWCCJZHIQA-UHFFFAOYSA-N 351.451 0.758 0 40 FCAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)O[C@H]1CCOC1=O 8761979 WRKPFNMUIKTSNA-NSHDSACASA-N 352.368 0.364 0 40 FCAB O=C(NCCN1CCCCC1)C(=O)Nc1ccc(Cn2cncn2)cc1 13690474 RXYRRUFVNIKHMJ-UHFFFAOYSA-N 356.430 0.867 0 40 FCAB Cc1c(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)cccc1-n1cnnn1 14230437 STTOLAYILJFERD-LLVKDONJSA-N 367.456 0.830 0 40 FCAB OC[C@H]1O[C@H](Oc2c[nH]c3ccc(Br)cc23)[C@H](O)[C@@H](O)[C@H]1O 15020140 LINMATFDVHBYOS-HTOAHKCRSA-N 374.187 0.109 0 40 FCAB Cc1c(C(N)=O)sc2ncn(CC(=O)NC[C@@H]3CCCO3)c(=O)c12 19989807 SPKADARTXUHYNX-VIFPVBQESA-N 350.400 0.161 0 40 FCAB CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NCc2cccs2)C1=O 23877007 CCMYVFVPAMBIAE-OAHLLOKOSA-N 353.400 0.628 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(F)cc1Cl 25023062 JFDACIYFLGSCQZ-LLVKDONJSA-N 358.753 0.748 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1 25210227 TVYBBMMQFPVKRE-UHFFFAOYSA-N 353.404 0.234 0 40 FCAB C[C@@H](CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 58179732 JDQHSBNYMDWXAM-LBPRGKRZSA-N 351.428 0.556 0 40 FCAB CC(=O)N1CCN(C(=O)c2c(-n3cnnn3)sc3c2CCCC3)CC1 61717569 SMAWJMFJXVIEPL-UHFFFAOYSA-N 360.443 0.907 0 40 FCAB CC(=O)N1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCCC2)CC1 96145256 CQZGLXDPPDMESV-ZBFHGGJFSA-N 357.476 0.271 0 40 FCAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3cn(C)cn3)CC2)OC[C@]1(C)O 257294880 QWCOELKBMHSTAK-IRXDYDNUSA-N 350.463 0.773 0 40 FCAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@](O)(CN2CCOCC2)CC1 257314062 UVDXBGJZTCMQEF-GOSISDBHSA-N 359.430 0.647 0 40 FCAB CC[C@H](C)Oc1cc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)ccn1 272082297 WLDIRACOEYUDPU-QWHCGFSZSA-N 370.475 0.904 0 40 FCAB CCNC(=O)c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1C 408625331 SAMUHDRINIUDMI-UHFFFAOYSA-N 355.460 0.355 0 40 FCAB CC(C)S(=O)(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 575405039 QQZUVSLYVHRHLK-AWEZNQCLSA-N 360.476 0.597 0 40 FCAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(C(=O)O)nc1 653299733 CCEPOBTUSFDRMG-GFCCVEGCSA-N 355.416 0.714 0 40 FCAB CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCN(c3nncn3C)CC1)CC2 654522097 DMZLAQFUXPBYKN-ZDUSSCGKSA-N 373.465 0.377 0 40 FCAB COc1ccc(F)cc1C(=O)N1C[C@H]2COC[C@@H]1CN(CC(=O)O)C2 1772705376 MLSFXPZZQPFCMN-AAEUAGOBSA-N 352.362 0.692 0 40 FCAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)CCS(C)(=O)=O)C1 2055750980 UGAOHOONTBZFCW-INIZCTEOSA-N 371.434 0.389 0 40 FCAB CS(=O)(=O)CCC(=O)N1CC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 2055835080 VUNFZDRZQALIAN-WBMJQRKESA-N 372.418 0.794 0 40 FCAB O=C1C(Cl)=C(Sc2nnc(O)[nH]c2=O)C(=O)N1c1ccccc1 2462687 HEZQFZWEBBEVGT-UHFFFAOYSA-N 350.743 0.986 0 40 FCAB COc1cc(/C=C/C(=O)N2CCN(CC(=O)O)CC2)cc(OC)c1OC 3649804 XDCDHIJFRRLVST-SNAWJCMRSA-N 364.398 0.954 0 40 FCAB in-man CCN(Cc1ccccc1)S(=O)(=O)c1c(C)n(C)c(=O)n(C)c1=O 4337705 SDMOIUAGCSDKTI-UHFFFAOYSA-N 351.428 0.603 0 40 FCAB O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)N1CCOCC1 6480407 XHQZRRULQRSSKD-UHFFFAOYSA-N 374.788 0.489 0 40 FCAB O=C(O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Br)cc1 8329207 RQUOJYKFYLJFIX-PSASIEDQSA-N 350.190 0.658 0 40 FCAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@@H](C)C(=O)NC(N)=O 8373030 MANFXSZVXHOIRG-CABZTGNLSA-N 353.350 0.707 0 40 FCAB NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1 8778445 LUFJBLFHOXQNCE-UHFFFAOYSA-N 356.381 0.833 0 40 FCAB CCNC(=O)NC(=O)CN(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 11092033 IVXWIPKUKMJVMO-AWEZNQCLSA-N 353.444 0.521 0 40 FCAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCn1nnc2ccccc2c1=O 12532222 WBQZVEGYBFFVFF-VXGBXAGGSA-N 370.365 0.467 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC[C@@H]1CCCO1 16291303 FFUGRBCIFABYHL-ZDUSSCGKSA-N 356.444 0.919 0 40 FCAB Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19583596 MVCLPSVGMDNRNY-CQSZACIVSA-N 356.430 0.990 0 40 FCAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 32808774 VAZGFSBDJUYILQ-LBPRGKRZSA-N 353.444 0.871 0 40 FCAB CC(C)CC(=O)N1CCN(CC(=O)Nc2sccc2C(N)=O)CC1 32909382 MCDLZZLCIYINFH-UHFFFAOYSA-N 352.460 0.976 0 40 FCAB COCC(=O)Nn1c(C)cc2c(cnc3nc(-c4ccncc4)nn32)c1=O 38784055 XTBCTGNIUUIRGN-UHFFFAOYSA-N 365.353 0.526 0 40 FCAB CCCNC(=O)[C@H](C)NC(=O)CN1CCN(c2ccccc2F)CC1 57354963 OYTVZYGAYZKYFU-AWEZNQCLSA-N 350.438 0.979 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(CC(=O)N2CCCC2)cc1 58066341 QBXLUZCGUHSYTF-UHFFFAOYSA-N 356.382 0.340 0 40 FCAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCCOC)cc1 58225047 WDTZVQWQXKBGIS-UHFFFAOYSA-N 351.446 0.425 0 40 FCAB COc1ncccc1NC(=O)C(=O)NC[C@H](c1ccco1)N1CCOCC1 61720372 NVASWKSHRYULCI-CQSZACIVSA-N 374.397 0.811 0 40 FCAB CCOc1ccccc1-n1ccn(CC(=O)N2CCOCC2)c(=O)c1=O 67256800 YBWVHMPMYADFPA-UHFFFAOYSA-N 359.382 0.257 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCN2CCOCC2)cc1 68323231 XQASVROMMLNRTN-OAHLLOKOSA-N 369.487 0.500 0 40 FCAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 95478725 WFYONBPGFFCOAF-CHWSQXEVSA-N 372.516 0.930 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C(=O)O 95969632 RRWONQIPIBQMEK-CMPLNLGQSA-N 372.447 0.169 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)c2ccnnc2)C[C@]2(CC(=O)N(C)C2)C1 97952755 ISDRPFFCZNCECG-SFHVURJKSA-N 359.430 0.266 0 40 FCAB CCn1cc(CN2CC3(CC[C@@H](CNS(=O)(=O)C4CC4)CO3)C2)cn1 249687145 HFNXRDGNHCNEHY-AWEZNQCLSA-N 368.503 0.966 0 40 FCAB C[C@@]1(C(N)=O)CN(C(=O)c2cccn(Cc3ccccc3F)c2=O)CCO1 257304977 SNYFIZKNXRFJOO-IBGZPJMESA-N 373.384 0.752 0 40 FCAB O=C(CN1CCOCC1)N1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 257307101 SXFXNCLCOQMNAT-IRXDYDNUSA-N 352.406 0.889 0 40 FCAB O=C(N[C@@H]1CN(Cc2c[nH]nc2-c2cccs2)C[C@H]1O)c1cc[nH]n1 257309489 UBDOXOVGGGOPQI-CHWSQXEVSA-N 358.427 0.836 0 40 FCAB COc1cc(N2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)ncn1 306142214 WTMNYSMNTYNEHG-GZBFAFLISA-N 357.414 0.705 0 40 FCAB Cc1c(C)[n+](C)c([C@@H](CC(=O)O)c2ccc3c(c2)n(C)c(=O)n3C)n1O 604419450 SNEKGQTZQCQMMF-ZDUSSCGKSA-O 359.406 0.964 0 40 FCAB O=C(NCCc1ccncc1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@@H]2CCOC2)O1 1565556644 YKZSSFDFNXIXHD-BRSBDYLESA-N 373.453 0.925 0 40 FCAB Cn1cncc1CCCN1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1592590422 DGVGLGWUSDQQLY-UHFFFAOYSA-N 353.434 0.750 0 40 FCAB Cn1ccc(=NC2(C(=O)N3CCCC3)CCN(Cc3cn[nH]c3)CC2)[nH]1 2055745828 FRMUIBIHSSQXLN-UHFFFAOYSA-N 357.462 0.634 0 40 FCAB COCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 4183949 YMMHMFYDGSPEDJ-UHFFFAOYSA-N 362.473 0.786 0 40 FCAB COc1ccc(NC(=O)CSc2nccn2C)cc1S(N)(=O)=O 5901944 RJNRLNYHYHSHFB-UHFFFAOYSA-N 356.429 0.807 0 40 FCAB Cc1ccc(OCCC(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 5986995 ISNRSAYTQJJJFD-ZDUSSCGKSA-N 355.412 0.610 0 40 FCAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@H]1CCS(=O)(=O)C1 6859651 FXAURJSAPIFOPX-QMMMGPOBSA-N 372.752 0.824 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC1CCC(C(=O)O)CC1 9318600 WZBQHEKUCDILPC-UHFFFAOYSA-N 359.382 0.697 0 40 FCAB O=C(Cn1cccc(C(=O)NC2CCCCC2)c1=O)NCc1ncc[nH]1 19749938 ODCQECMXSQHESQ-UHFFFAOYSA-N 357.414 0.950 0 40 FCAB COCc1nc(N2CCN(C=O)CC2)[nH]c(=O)c1CCc1ccccc1 22448780 AKABJBXUUSVAOT-UHFFFAOYSA-N 356.426 0.980 0 40 FCAB CCOC(=O)c1ccc(N2CCN(S(=O)(=O)N(CC)CC)CC2)nc1 24055381 YSMSJUKXVLDGEH-UHFFFAOYSA-N 370.475 0.967 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 24974019 ZDNZSSSTZGGUDR-UHFFFAOYSA-N 368.445 0.605 0 40 FCAB CC(C)N(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)O 49342710 DRXIFWWQMCGZPI-UHFFFAOYSA-N 371.397 0.923 0 40 FCAB COCCn1nnnc1[C@H](c1ccccc1F)N1CCC(C(N)=O)CC1 57670124 OFEUILGTSHYHTP-HNNXBMFYSA-N 362.409 0.745 0 40 FCAB CCOc1cccc([C@@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 58180042 BNZBHTVURIEHKL-LLVKDONJSA-N 367.427 0.522 0 40 FCAB O=C(Cn1nc(-n2cccn2)ccc1=O)Nc1ccc(-n2cnnn2)cc1 70655890 SGMWHKIOQAGPSF-UHFFFAOYSA-N 363.341 0.043 0 40 FCAB COCCCS(=O)(=O)NCC(=O)N[C@H](C)c1cc(OC)ccc1OC 89904599 OFDSUGCCLGWGJF-GFCCVEGCSA-N 374.459 0.837 0 40 FCAB CC(C)COCCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 95394689 PYBVVEXPDVKYAO-INIZCTEOSA-N 355.479 0.489 0 40 FCAB CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CCN(C)CC4)cn23)CC1 96155970 DXBDIQXQFBNXIC-UHFFFAOYSA-N 369.469 0.995 0 40 FCAB O=C(c1cccnc1)N1CCO[C@]2(COCCN(c3cncnc3)C2)C1 96229475 XBAHJROGOAIQGY-SFHVURJKSA-N 355.398 0.620 0 40 FCAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(-n2cnnn2)cc1 102359603 GEKGWQIAVXSGPM-DPDCMNJDSA-N 364.365 0.408 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1C 200050230 OEDMFVUIUQIOHV-UHFFFAOYSA-N 355.460 0.954 0 40 FCAB CCn1nc(C)cc1C(=O)N1CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]1C 247836667 NSTOARBHWWYNFH-UONOGXRCSA-N 372.491 0.628 0 40 FCAB Cc1cn([C@@H]2CN(C(=O)c3cccnc3C)CC[C@@]2(C)O)c(=O)nc1O 257260650 LDTYGGNTVMCSLN-RDTXWAMCSA-N 358.398 0.799 0 40 FCAB CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cccc2c1OCCO2 268415065 VGLCDJAFZHGHEL-DGCLKSJQSA-N 354.428 0.906 0 40 FCAB COC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704660 RBASZIKSXZDBRO-VXGBXAGGSA-N 372.443 0.763 0 40 FCAB NC1(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCOCC1 624386151 APCHMCNXAHQBSZ-UHFFFAOYSA-N 353.444 0.600 0 40 FCAB Cn1cc(O[C@@H]2CN(C(=O)c3ccc4c(c3)CCC(=O)N4)C[C@H]2O)cn1 628257216 DVVAXTQDAAOGNF-HZPDHXFCSA-N 356.382 0.569 0 40 FCAB Cc1c([C@H]2CNC[C@@H]2C(=O)N2CCN(c3cnccn3)CC2)cnn1C 649297117 JLXLBCVZIYYJLY-CVEARBPZSA-N 355.446 0.170 0 40 FCAB COc1cc(C(=O)N2CCC3(CC2)CN(CCN(C)C)C(=O)CO3)on1 1565552469 VPKKNHIWZQXIJB-UHFFFAOYSA-N 366.418 0.078 0 40 FCAB CS(=O)(=O)N[C@H]1CCOC2(CCN(C(=O)Cc3ccccn3)CC2)C1 1565552697 SVLKKKWVFGOIDJ-HNNXBMFYSA-N 367.471 0.714 0 40 FCAB O=C(CCc1cncnc1)N1CCOC[C@]2(C[C@@H](Cn3cnnc3)CO2)C1 1565552784 XDWCABQLAGHYLH-WMZOPIPTSA-N 372.429 0.335 0 40 FCAB CC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)[C@H](CO)[C@@H]1CN1CCOCC1 1772595123 ZQDQFYCMWCFJHE-BFYDXBDKSA-N 350.463 0.520 0 40 FCAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(N)=O 6464705 XQOVIISBWQAKRP-PWSUYJOCSA-N 360.457 0.504 0 40 FCAB Nc1nc(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)n[nH]1 8937986 OKCVRBJRIBKFGQ-NSHDSACASA-N 367.456 0.699 0 40 FCAB Cc1c(C(=O)O[C@H](C)C(=O)N2CCNC2=O)sc2ncn(C)c(=O)c12 9154236 XWEOTIWACRWVLB-MRVPVSSYSA-N 364.383 0.401 0 40 FCAB COCCN(CCOC)C(=O)Cn1nc2n(C)c3ccccc3n2c1=O 12117780 ZSKPTXHUDWHNDB-UHFFFAOYSA-N 361.402 0.109 0 40 FCAB CSc1ccc(CN(C)CC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 14185576 HLFANVOJZFPEJD-UHFFFAOYSA-N 371.528 0.944 0 40 FCAB CN1CCN(C(=O)CC2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)CC1 66858310 JNDTWICWEUKGAJ-UHFFFAOYSA-N 370.457 0.974 0 40 FCAB NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3cn[nH]c3)C2)cc1 89793312 WANDKOBZVMHMEL-LLVKDONJSA-N 370.456 0.625 0 40 FCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)C2SCCS2)C[C@@H](C)O1 95445127 DUSPSWISURQMLM-AOOOYVTPSA-N 354.519 0.348 0 40 FCAB CCn1nnc2c1CCN(S(C)(=O)=O)[C@H]2COCc1cccnc1 96068781 MUVPJXNUUUIHOB-AWEZNQCLSA-N 351.432 0.769 0 40 FCAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cnn(C)c3)C2=O)cc1 96116614 SNSAVZDCWNJSJC-HNNXBMFYSA-N 371.397 0.920 0 40 FCAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H]1CCCn2ncnc21 97013374 YZVRAUOJISVAHQ-LBPRGKRZSA-N 370.456 0.803 0 40 FCAB NC(=O)[C@@H]1CCCN1[C@H](C(=O)O)c1cn(CC(=O)O)c2cc(F)ccc12 108121415 MPRDHXZUCUBYRX-WFASDCNBSA-N 363.345 0.940 0 40 FCAB O=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 169680656 LCARHFBRMFETSR-REWJHTLYSA-N 365.455 0.480 0 40 FCAB Cc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)CC2 171456094 FQOBRRVHRVCPSX-MWLCHTKSSA-N 369.472 0.446 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ncn[nH]2)cc1 226001770 PJRUYSALJKWSFZ-UHFFFAOYSA-N 369.472 0.642 0 40 FCAB CN(C)C(=O)COc1ccc(S(=O)(=O)NCCCO)cc1Cl 226743835 FAJWVDLQRZTVHJ-UHFFFAOYSA-N 350.824 0.468 0 40 FCAB CCS(=O)(=O)CCN1Cc2ncn(C)c2[C@@H](C(=O)NCC2CC2)C1 248058717 TYTQKOFHRMNFSF-ZDUSSCGKSA-N 354.476 0.280 0 40 FCAB CN(C)c1cccc([C@@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)n1 257303146 SFZNSJUPMSWBPS-AWEZNQCLSA-N 356.448 0.098 0 40 FCAB CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)CC2=CCCCC2)CCO1 263225292 ZVMGWOPTGJZRGY-CQSZACIVSA-N 374.459 0.451 0 40 FCAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NC(=S)Nc1ccccc1 575421877 SJLHILQPZLFXDK-RYUDHWBXSA-N 357.457 0.885 0 40 FCAB CN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 575425808 XCXAEKPSXYXINV-MNOVXSKESA-N 374.267 0.772 0 40 FCAB CC(C)N(CCO)C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O 585284967 MJYHWEPHMDHIRQ-HKUYNNGSSA-N 350.459 0.256 0 40 FCAB CCOC(=O)N1CCC(O)(CN2CCO[C@](C)(C(=O)N(C)C)C2)CC1 585285339 XRHJCEPAKZFXTK-INIZCTEOSA-N 357.451 0.149 0 40 FCAB Cc1nc(N2CC(Cn3nc4c(cc3=O)CCC4)C2)c2cnn(C)c2n1 585603979 RTUHCALXRKODCV-UHFFFAOYSA-N 351.414 0.854 0 40 FCAB CO[C@@H]1CN(C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)[C@](C)(CO)C1 634064529 SBCJUKGYEKMSMZ-VOJFVSQTSA-N 356.382 0.788 0 40 FCAB COC[C@]1(C(N)=O)CCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 643703195 NBVKGDYPLJXFEG-INIZCTEOSA-N 355.460 0.403 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@H]2C[C@H](COCCN3CCCC3)C[C@@H]21 1565544420 KJMCVJPNVDTPLI-NYLIBXOJSA-N 364.486 0.997 0 40 FCAB COCCNC(=O)c1cnc2n1[C@H](CNC(=O)c1csnn1)CC2 1614937106 GLPIXNKCFPPOHH-VIFPVBQESA-N 350.404 0.028 0 40 FCAB COCCn1cnc2c(N3CCN(c4ncc(F)cn4)CC3)ncnc21 1888897406 JDYSFLVMXXDIKE-UHFFFAOYSA-N 358.381 0.728 0 40 FCAB O=C(NCc1ccccn1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)[C@H]2CCOC2)C1 2055772579 YHPBLJBSDQIERR-XOSAIJSUSA-N 359.426 0.740 0 40 FCAB CCOC(=O)C(=O)N1Cc2cc3c(cc2[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]21)OCO3 5048547 VMWHTRDXLWGFIV-FQUUOJAGSA-N 363.366 0.288 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)c2ccccc2O1 8130467 NNHKBUFXIRVWKB-MRXNPFEDSA-N 364.365 0.816 0 40 FCAB CN(C)CCCNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 13596010 RJHBGOFYAMUJAE-UHFFFAOYSA-N 357.476 0.525 0 40 FCAB CCOC(=O)N1CCC(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC1 32850719 VGSCCIWNTYPNLB-UHFFFAOYSA-N 374.397 0.427 0 40 FCAB Cn1nc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)ccc1=O 38946754 OHROOYUKTOVDNX-CVEARBPZSA-N 366.421 0.868 0 40 FCAB Cc1cc(NC(=O)C2=CC(c3cn(C)nc3C)=NS(=O)(=O)N2C)no1 72337125 BXGLTRKGIZIJNJ-UHFFFAOYSA-N 364.387 0.527 0 40 FCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NCc1ccc(F)cc1 72400304 IMNIVQFALJGIIX-UHFFFAOYSA-N 372.404 0.764 0 40 FCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NCc1cccc(F)c1 72401108 WXWFHCGHDKLVGQ-UHFFFAOYSA-N 372.404 0.764 0 40 FCAB CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1COCCN1 152413609 MNMFCUDBMMBDNB-OCCSQVGLSA-N 362.348 0.892 0 40 FCAB CCOc1ccc2nnc(CNC(=O)[C@H](CCSC)NC(C)=O)n2n1 238848968 IZWVLUZKAIKAHK-NSHDSACASA-N 366.447 0.397 0 40 FCAB CCS(=O)(=O)CCN1C[C@H]2OC[C@@H](CNC(=O)c3cccn3C)[C@H]2C1 248098931 DIQOBOMYABDWHT-IIAWOOMASA-N 369.487 0.136 0 40 FCAB CN1CCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C[C@H]1C(N)=O 257256142 KKGFDDCLKMRSOL-LBPRGKRZSA-N 366.805 0.266 0 40 FCAB CN(C)S(=O)(=O)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 306126912 FISXJOUGHIWCTP-GFCCVEGCSA-N 351.436 0.023 0 40 FCAB Cn1cnc(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)n1 585110611 ISNZXDBCRGRABR-UHFFFAOYSA-N 357.418 0.126 0 40 FCAB CNC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)Cc2ccnn21 585112292 OEJDNZLOGMWQPP-ZDUSSCGKSA-N 364.427 0.773 0 40 FCAB CO[C@@H](Cn1cnc2c(c(S(C)(=O)=O)nn2C)c1=O)C1CCCC1 664019067 BVHYSDXBPDSSAJ-NSHDSACASA-N 354.432 0.739 0 40 FCAB CC[C@@H](C)[C@H](C(=O)N1CCn2c(nnc2C(F)(F)F)C1)n1cnnn1 1615151962 MMUCBNMKFMLINZ-PSASIEDQSA-N 358.328 0.913 0 40 FCAB COc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)NC3CC(F)(F)C3)C2)on1 2055756542 VANZESWSLYIJCC-RFAUZJTJSA-N 371.340 0.686 0 40 FCAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C[C@H](C)O1 3167051 PASMQCFFKFIPNI-KBPBESRZSA-N 368.455 0.957 0 40 FCAB CCOC(=O)c1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(C)=O)cc1 4917230 CLQATPGATJFXSE-AWEZNQCLSA-N 370.427 0.741 0 40 FCAB NC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)CN1CCOCC1 19697294 CNHTUPSHTXZTSQ-UHFFFAOYSA-N 369.425 0.233 0 40 FCAB CCOc1ccc(OC[C@@H](O)CN2CCNC(=O)[C@@H]2CC(=O)OC)cc1 21842455 UEEZDBNVQXGXJK-BBRMVZONSA-N 366.414 0.189 0 40 FCAB Cn1c(CN2CCN(CCOc3ccccc3)CC2)cc(=O)n(C)c1=O 22373912 VQWKLFNKLHTIKV-UHFFFAOYSA-N 358.442 0.281 0 40 FCAB NC(=O)c1ccc(N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)nc1 32916174 NYOLESXLLMXYNY-UHFFFAOYSA-N 371.441 0.579 0 40 FCAB CC(C)(CNC(=O)Cn1nnnc1C1CCCCC1)N1CCOCC1 89761748 GNRROQYIVVNMNN-UHFFFAOYSA-N 350.467 0.948 0 40 FCAB C[C@](O)(CNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccccc1 101137488 KMVHOFPAMDPLNQ-PQEFUNPMSA-N 354.406 0.817 0 40 FCAB C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102804819 RBWIPQNJRGIIJI-SOUVJXGZSA-N 371.441 0.689 0 40 FCAB COc1ccccc1OCc1cn(CC(=O)N2CCN(C(C)=O)CC2)nn1 227167447 SBCIHSNSPFYAJB-UHFFFAOYSA-N 373.413 0.556 0 40 FCAB O=C(c1c[nH]c(=O)[nH]1)N1CCC(n2c(O)nc3ccccc3c2=O)CC1 238974660 ZSKMHUXKPVFJIF-UHFFFAOYSA-N 355.354 0.596 0 40 FCAB O=C(CO[C@H]1CCOC2(C1)CN(c1ccc3nncn3n1)C2)N1CCCC1 247740223 NMLALGGZEQYFNP-AWEZNQCLSA-N 372.429 0.501 0 40 FCAB CNc1cc([C@@H]2CCCN(C(=O)C3CN(S(C)(=O)=O)C3)C2)ccn1 257296743 REFIDCHBAFHYRQ-CYBMUJFWSA-N 352.460 0.721 0 40 FCAB Cc1cc(C)n(CCCC(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)n1 257301012 RWNNDWUVJJGWQE-JFIYKMOQSA-N 350.463 0.620 0 40 FCAB Cc1nc(C)c(CCC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c(O)n1 330411468 LJZPMPNXNJMCAG-OCCSQVGLSA-N 370.475 0.566 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NCCn2cc(-c3ccoc3)cn2)C1=O 575614795 IEPZQGDFUMQQQT-UHFFFAOYSA-N 367.387 0.550 0 40 FCAB CCOc1ncccc1C(=O)N1CCOC[C@](CC(=O)NC)(OC)C1 585281316 VYQMKTHLVXRYRJ-QGZVFWFLSA-N 351.403 0.474 0 40 FCAB CCc1nn(C)c2n[nH]c(NC(=O)[C@@H](C)n3cnc4c(N)ncnc43)c12 668825397 XHXOXWVGPSSOTO-SSDOTTSWSA-N 354.378 0.780 0 40 FCAB O[C@H]1[C@H](NCc2ccncc2F)[C@H]2CO[C@H](O2)[C@@H]1n1cc(Cl)cn1 952844946 WAHXZVPDHXJRQB-ARILJUKYSA-N 354.769 0.886 0 40 FCAB biogenic,in-vitro COc1cc(N2CCN(Cc3nnc([C@@H]4CCOC4)o3)CC2=O)ccn1 1888867084 METKNAMAKJIPFC-GFCCVEGCSA-N 359.386 0.826 0 40 FCAB COC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1579892 TXPSDTDXSCHBJF-KGLIPLIRSA-N 366.414 0.773 0 40 FCAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CCCC2=O)cc1 4285395 IDMMXCHNLLURRT-UHFFFAOYSA-N 353.396 0.851 0 40 FCAB Cc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C 4940967 GTBFDFJBHGBNRG-UHFFFAOYSA-N 355.354 0.441 0 40 FCAB COc1ccc(C(=O)OCC(C)=O)cc1S(=O)(=O)N1CCOCC1 6022418 QUJWMIKXVSLJBU-UHFFFAOYSA-N 357.384 0.462 0 40 FCAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1 8218492 CYRRFVAXBRFLTJ-JTQLQIEISA-N 373.862 0.731 0 40 FCAB CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)O 11693970 AZHUMTSUIPTCBR-UHFFFAOYSA-N 357.370 0.155 0 40 FCAB C[C@@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1 13127357 YKZMPORMYFZWML-UTSBKAFOSA-N 369.425 0.940 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)CCSc2nnnn2C2CC2)cc1 14199269 NLFMMCVUHOMYAG-UHFFFAOYSA-N 368.444 0.776 0 40 FCAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Cn1ncc3ccccc3c1=O)CC2 19286406 RGJXANZFAKHGPD-UHFFFAOYSA-N 365.393 0.416 0 40 FCAB CC(=O)N[C@H]1Cc2ccc(S(=O)(=O)NCCn3ccc(C)n3)cc2C1 19749639 MMSJKQOEYVPRSW-INIZCTEOSA-N 362.455 0.773 0 40 FCAB CCCn1c(N)c(N(CCOC)C(=O)Cc2cccs2)c(=O)[nH]c1=O 22404017 HXKHIVYNKLUUNI-UHFFFAOYSA-N 366.443 0.812 0 40 FCAB CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCCOc1ccccc1 23115325 PCHIKNISGGTCBL-UHFFFAOYSA-N 357.414 0.969 0 40 FCAB CN(C)CCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 44910149 IGJLNPFGVQSCFB-CYBMUJFWSA-N 361.851 0.545 0 40 FCAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2ncccn2)CC1 57405646 AMCCSFIEMLVYDT-ZDUSSCGKSA-N 354.414 0.725 0 40 FCAB CN(CC(=O)NCCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 72274720 BDSATZISOPZLCA-CQSZACIVSA-N 359.492 0.014 0 40 FCAB CCCS(=O)(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961324 HRGBQVYPOZRMJK-OAHLLOKOSA-N 369.491 0.273 0 40 FCAB CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 95985776 ZBAKHVDZQVOSSA-STQMWFEESA-N 364.450 0.636 0 40 FCAB CCN(C)C[C@@H]1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 96005493 XJXZQLHTMVPYHE-AWEZNQCLSA-N 357.520 0.991 0 40 FCAB CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)O)CC1 100778350 BLKNOEDDSJAVEH-NDBYEHHHSA-N 359.492 0.579 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](Oc3cnccn3)C2)CC1 225793605 ZYMVVHFVXIRWAF-ZDUSSCGKSA-N 354.432 0.128 0 40 FCAB CS(=O)(=O)N1CCC(N2CCOC[C@H](Cc3ccncn3)C2)CC1 257256010 KJSHECMOSMTRSC-CQSZACIVSA-N 354.476 0.392 0 40 FCAB Cn1ccnc1[C@H]1CNCCN1C(=O)c1ccc(S(C)(=O)=O)s1 644129025 FIPYCIIUQTWGLV-SNVBAGLBSA-N 354.457 0.672 0 40 FCAB COc1cc(C(=O)O)ccc1CCNC(=O)[C@H]1CCCN1S(C)(=O)=O 648334396 OIBCXOOUOGIBEC-CYBMUJFWSA-N 370.427 0.476 0 40 FCAB Cn1c(=O)c2nc(SCC(=O)Nc3ccccc3)n(C)c2n(C)c1=O 9165468 RVYDHGJXUAWFRW-UHFFFAOYSA-N 359.411 0.702 0 40 FCAB COc1ccccc1CNC(=O)C[C@@H](C(=O)N1CCOCC1)n1ccnc1 9378272 IVKHZIUMHHMPQE-INIZCTEOSA-N 372.425 0.998 0 40 FCAB C[C@H](NC(N)=O)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11155413 MDRDFPCYAZVSGG-NSHDSACASA-N 354.432 0.013 0 40 FCAB O=C(CS[C@H]1CCc2ccccc2NC1=O)N[C@@H]1CCS(=O)(=O)C1 12407205 UHQXLYBICSODPZ-OCCSQVGLSA-N 368.480 0.976 0 40 FCAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)N1CCOCC1 12904037 RZZKXBOOPCXWHW-ZDUSSCGKSA-N 370.427 0.146 0 40 FCAB COc1ccccc1-c1cc(Cn2c(=O)c(C(N)=O)cn(C)c2=O)on1 13016755 SPLSTIIWCAFYDW-UHFFFAOYSA-N 356.338 0.358 0 40 FCAB Cc1ccc(Cn2c(NCC(=O)O)nc3c2c(=O)n(C)c(=O)n3C)cc1 16839482 LPQXLTZXKDMQFC-UHFFFAOYSA-N 357.370 0.287 0 40 FCAB CN(CC(=O)NCc1ccco1)C(=O)Cn1cnc2ccccc2c1=O 24586858 LMXIVANYPKJPBM-UHFFFAOYSA-N 354.366 0.764 0 40 FCAB Cn1cc(Cl)cc1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 29088859 QTSLYKQVVAEIMC-UHFFFAOYSA-N 354.838 0.295 0 40 FCAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NCc1nnc3n1CCC3)C2=O 32889106 PXKSMFCEYGSTOB-UHFFFAOYSA-N 353.382 0.835 0 40 FCAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 33330778 UYBUIPLUWNVHKC-UHFFFAOYSA-N 366.399 0.312 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 40154920 AKVGUTRKXAPJKX-RISCZKNCSA-N 372.468 0.523 0 40 FCAB CCOC(=O)[C@@H](CO)N[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41104829 MNLNZIJOLOZQMO-UONOGXRCSA-N 365.430 0.543 0 40 FCAB Cc1ccccc1OCCN(C)CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 45509419 WXXGLFGDQHARJY-HNNXBMFYSA-N 354.472 0.951 0 40 FCAB CCC[C@@H](NC(N)=O)C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 72273621 QFBSPKKXJNNXRY-CQSZACIVSA-N 370.475 0.827 0 40 FCAB CN(C(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCCN(Cc2ccccc2)C1 74445967 ODYUBHUXHBPVOY-OAHLLOKOSA-N 356.430 0.500 0 40 FCAB C[C@H](Sc1ccccc1Cl)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 75105285 SOVCTGQPEULPSA-QWRGUYRKSA-N 367.858 0.990 0 40 FCAB O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCN(CCO)CC2)C1 78541778 HEPUDAIDFZZEFX-MRXNPFEDSA-N 363.433 0.814 0 40 FCAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(C(=O)N(C)C)CC3)C1=O 96036519 ZOTBDYHWQJZDSP-GOSISDBHSA-N 350.463 0.851 0 40 FCAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(C(=O)c1ccnnc1)CC2 96199867 XKJZXRNERBWBTE-HNNXBMFYSA-N 354.414 0.831 0 40 FCAB CN(C)c1ccc(O[C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)nn1 225449065 XCAVGAIVONIXMX-LBPRGKRZSA-N 358.402 0.815 0 40 FCAB Cc1cc(CNS(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)n(C)n1 252486470 HLOPYTBSRNRBJH-JTQLQIEISA-N 350.400 0.926 0 40 FCAB O=C(NC[C@]1(O)CCCN(c2ncccn2)C1)c1cnc(C2CC2)nc1 257337685 YTYOTKWMYVAQSN-GOSISDBHSA-N 354.414 0.905 0 40 FCAB O=C(NCc1ccccc1)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N[C@@H]2C1 514290319 XPEASYIUNZZRIV-KGLIPLIRSA-N 374.422 0.715 0 40 FCAB biogenic,in-vitro CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)Cc3cccc(F)c3)C[C@H]21 585110128 MUOIIHFUVSTWJN-HIFRSBDPSA-N 372.400 0.752 0 40 FCAB Cn1cnnc1N1CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)CC1 656218677 WZBNXSBKSMABSC-CQSZACIVSA-N 358.450 0.283 0 40 FCAB CN(C)c1ccc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nn1 1889119405 PFDMOZJCYBTPNY-UHFFFAOYSA-N 372.454 0.814 0 40 FCAB CC(=O)N[C@H]1C[C@H]2CN(CC(C)(C)C)[C@@H](CNC(=O)C3CC3)C(=O)N2C1 2332242023 PQHPCZJKPJCWMQ-JYJNAYRXSA-N 364.490 0.349 0 40 FCAB CC(C)OC(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1 2606994 DTXXNJLGFKJVEZ-UHFFFAOYSA-N 364.383 0.754 0 40 FCAB CCCn1c(=O)c2c(nc3n2C[C@@H](O)CN3c2ccccc2)n(C)c1=O 6241288 LWQCIPGGRJFHTG-ZDUSSCGKSA-N 355.398 0.819 0 40 FCAB NC(=O)c1ccccc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 10847456 WXHNDSHHYKHLOK-UHFFFAOYSA-N 359.386 0.483 0 40 FCAB Cc1c(C(=O)OCC(=O)NC[C@H]2CCCO2)sc2ncn(C)c(=O)c12 12602707 ANZUAFKNPIQMSD-SNVBAGLBSA-N 365.411 0.755 0 40 FCAB CCc1cccc(OC[C@@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 12648056 KYKJTSNPCBAHFE-ZDUSSCGKSA-N 358.398 0.436 0 40 FCAB O=C(O)CCC(=O)N1CC[C@H]2CC(=O)N(CCc3c[nH]cn3)CC[C@H]2C1 15672901 UTDJRDWELUNSFN-KBPBESRZSA-N 362.430 0.904 0 40 FCAB biogenic,in-vitro Cn1c(=O)c2[nH]c(SCc3nc4ccccc4[nH]c3=O)nc2n(C)c1=O 16363710 PJWXAAGJOAKHFA-UHFFFAOYSA-N 370.394 0.489 0 40 FCAB CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(S(=O)(=O)N(C)C)C1 19696239 PHGQJUZOQSGJGQ-HNNXBMFYSA-N 358.464 0.585 0 40 FCAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)COC)C2 19708725 GDSYAQLBVSOTPA-ZDUSSCGKSA-N 361.446 0.775 0 40 FCAB O=C(COCC(=O)N1CCN(c2ccccn2)CC1)NCc1ccco1 23223755 XVDAKXNRFMMFHF-UHFFFAOYSA-N 358.398 0.656 0 40 FCAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cnc2c(cnn2C)c1=O 48355855 SJOZEWHWMWYJED-LBPRGKRZSA-N 369.381 0.428 0 40 FCAB O=C(NCCN1CCOCC1)[C@H]1CCCN1C(=O)Cc1cccs1 55114505 FSIGRQZZOAGUSC-OAHLLOKOSA-N 351.472 0.730 0 40 FCAB Cn1nc(C(=O)NCCOc2ccc(-c3ccccn3)nn2)ccc1=O 56908233 VINQMKKEYXRDQI-UHFFFAOYSA-N 352.354 0.441 0 40 FCAB CCS(=O)(=O)N1CC[C@]2(CN(c3ccccc3)C(=O)CN2C(C)=O)C1 96050175 SZOWSXWLKUNCHO-QGZVFWFLSA-N 365.455 0.676 0 40 FCAB Cc1cc(C(=O)N2CCC3(CCOC[C@@H]3NS(C)(=O)=O)CC2)no1 96215741 UMYYMBQFLOHKFB-ZDUSSCGKSA-N 357.432 0.544 0 40 FCAB COc1ccnc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)n1 140324782 XVRCWDHDOWOLGN-UHFFFAOYSA-N 367.409 0.903 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 211106866 QLILDRSEBPTUEM-ZDUSSCGKSA-N 350.437 0.870 0 40 FCAB COc1cc(N2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)ncn1 247896234 OWCQOPJBUPXKSL-ZDUSSCGKSA-N 353.444 0.905 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1 566656293 PPPZPWGGEXTNSW-HIFRSBDPSA-N 356.444 0.189 0 40 FCAB C[C@]1(NCCNS(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1 575423548 GHYXPHPAXSPPNB-ZDUSSCGKSA-N 366.892 0.785 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 643720458 FIZXNEXOQUEILL-IBGZPJMESA-N 356.426 0.759 0 40 FCAB Cc1nccn1CCCN1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1592418703 HFXPMDRMNISDSV-UHFFFAOYSA-N 353.434 0.979 0 40 FCAB CS(=O)(=O)c1ccc(N2CCO[C@@H](C(=O)N3CCOCC3)C2)cc1 1888866312 XNBVQFONBNALHY-OAHLLOKOSA-N 354.428 0.154 0 40 FCAB CCn1c(SCC(=O)NC2CCCC2)nc2c1c(=O)n(C)c(=O)n2C 778587 VDDGNPYDIKJFNP-UHFFFAOYSA-N 365.459 0.605 0 40 FCAB COC(=O)CNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 3217184 CTIFSDQMNZKABL-VXGBXAGGSA-N 370.427 0.387 0 40 FCAB COc1ccccc1N1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 3320083 UBAQKMOKFCLYPA-UHFFFAOYSA-N 360.414 0.674 0 40 FCAB CN(C(=O)COC(=O)c1ccc(Cl)cc1N)[C@H]1CCS(=O)(=O)C1 6059992 CWNVHLCRPKLFMZ-JTQLQIEISA-N 360.819 0.725 0 40 FCAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1nnc2ccccn12 6589292 DAVKWWORBNYFAZ-UHFFFAOYSA-N 353.338 0.504 0 40 FCAB CC(=O)Nc1cccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 6650263 JCVIWIWNGJYQDR-CYBMUJFWSA-N 354.384 0.105 0 40 FCAB O=C1CN(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CCN1 12766296 UEANXMYRJYOGEG-UHFFFAOYSA-N 359.426 0.775 0 40 FCAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)C2=O 14141064 RMWBUQSDKFESQG-RLCCDNCMSA-N 371.459 0.181 0 40 FCAB CCN1c2nc3ccccn3c(=O)c2C[C@]2(C(=O)NC(=O)N=C2O)[C@@H]1C 18152962 KZPCMQZTUFNVAA-VIFPVBQESA-N 355.354 0.658 0 40 FCAB Cc1cc2nc([C@@H](NC(=O)[C@@H]3CCS(=O)(=O)C3)C(C)C)cc(O)n2n1 19129451 NBDLZVKRQMVTKN-ABAIWWIYSA-N 366.443 0.991 0 40 FCAB CC1(C)CC(=O)[C@@H]([C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)CO1 19932582 VYIYNYDSVFPMOK-YWZLYKJASA-N 374.437 0.895 0 40 FCAB Nc1nc(SCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)n[nH]1 24985287 IHVUAUWPPFGWDN-ZDUSSCGKSA-N 362.459 0.496 0 40 FCAB CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)COc3ccccc32)cn1 32931686 MLFAXZJWXACLAT-UHFFFAOYSA-N 361.379 0.849 0 40 FCAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(-n3ccnc3)nc2)C1=O 33043821 MIVUMMBJYJWYKF-SFHVURJKSA-N 368.397 0.604 0 40 FCAB CC(C)NC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 40310323 SWUXIEXIFNXDEJ-UHFFFAOYSA-N 371.397 0.230 0 40 FCAB biogenic NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 41648238 YPHQRHBDXNJJQJ-UHFFFAOYSA-N 351.428 0.847 0 40 FCAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NCCCOCc3ccco3)nc21 58106347 PGLPKAFQEIBSPC-UHFFFAOYSA-N 358.354 0.552 0 40 FCAB CCC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1nnn[nH]1 75107563 RJZSVYMEFYMVSV-YPMHNXCESA-N 356.390 0.277 0 40 FCAB O=C(c1cnccn1)N1CCO[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96074868 AYSQLDNWSGMVII-KRWDZBQOSA-N 358.377 0.917 0 40 FCAB COc1cccc(NC(=O)N2C[C@H]3C[C@H]4[C@@](CNS4(=O)=O)(C2)O3)c1 96145934 OTQAZYQAOFWZSY-VNHYZAJKSA-N 353.400 0.372 0 40 FCAB Cc1cc(N2CCC[C@@H](NS(=O)(=O)CC[C@@H]3CCCO3)C2=O)n(C)n1 97015032 FEFAXWWICQBILM-UONOGXRCSA-N 370.475 0.712 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]12 100639102 FOBTVDUCPRNSBE-UKRRQHHQSA-N 357.366 0.943 0 40 FCAB COc1nn(C)cc1C(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 225504130 MSIFWNRXIUGIBB-GFCCVEGCSA-N 360.418 0.968 0 40 FCAB Cn1nc(C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)ccc1=O 253472231 KLJDTJGZWUDACB-UHFFFAOYSA-N 367.394 0.877 0 40 FCAB O=S1(=O)CC[C@@H](NCCNS(=O)(=O)c2ccc3ccccc3c2)C1 575421091 HSQMASNWYWVCAZ-OAHLLOKOSA-N 368.480 0.895 0 40 FCAB CN(C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575426218 OSDPQFZFEFHLTR-ZDUSSCGKSA-N 369.468 0.889 0 40 FCAB COc1nc(CNC(=O)CCn2cnc3ccccc3c2=O)nc(OC)n1 575606774 LQQIIUVVZPFMDQ-UHFFFAOYSA-N 370.369 0.305 0 40 FCAB O=C(O)CN1CC[C@@H](N2C(=O)c3ccc(Br)cc3C2=O)C1=O 663220061 MVTHXXQOGGCROG-SNVBAGLBSA-N 367.155 0.731 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)CCO1 681941790 GRHNBKGGTQQNPL-HNNXBMFYSA-N 374.397 0.037 0 40 FCAB CC(C)CN1[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]2OCCS1(=O)=O 1534645807 GWPOCVAOKFGALD-CABCVRRESA-N 353.444 0.593 0 40 FCAB Cc1nc(CN2C[C@@H]3CN(C(=O)CCS(C)(=O)=O)C[C@H]3C2)cs1 1565542563 OJKLNLGZGQMLSL-CHWSQXEVSA-N 357.501 0.776 0 40 FCAB CS(=O)(=O)N1CC2(CN(C(=O)CCc3ccc[nH]3)C2)c2nccnc21 1565556025 UVMYZTWZHVSUFT-UHFFFAOYSA-N 361.427 0.297 0 40 FCAB Cc1cc(C(=O)N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)nn1C 1888879370 GURGSUNFCJYQOB-ZIAGYGMSSA-N 366.429 0.683 0 40 FCAB COCCn1cnc2c(N3CCN(c4cc(C)ncn4)CC3)ncnc21 1888897121 GCQRMGPECZWZFD-UHFFFAOYSA-N 354.418 0.898 0 40 FCAB O=C(NCc1ccco1)C(=O)NC[C@H](O)c1ccc(-n2cccn2)cc1 1888985975 MKLAYMMVPMHDIW-INIZCTEOSA-N 354.366 0.931 0 40 FCAB CCn1nc(C)cc1C(=O)N1CCC(N=c2ccn(C)[nH]2)(C(=O)NC)CC1 2055746210 ZNSYLRBHTXMKON-UHFFFAOYSA-N 373.461 0.200 0 40 FCAB COC[C@@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)CN1S(C)(=O)=O 2055835581 MCVBLEQHBXMJKJ-LBPRGKRZSA-N 356.448 0.312 0 40 FCAB CCOC(=O)c1cnc(NC(=O)CSc2nc(N)cc(=O)[nH]2)s1 3627580 XYPLINLDNIYNBR-UHFFFAOYSA-N 355.401 0.716 0 40 FCAB CCCn1c(C)c(C)n2c3c(=O)n([C@H](C)C(=O)OC)c(=O)n(C)c3nc12 4314429 VRHAZSVBIFDWMA-LLVKDONJSA-N 361.402 0.910 0 40 FCAB CC1(C)O[C@H]2[C@H]3O[C@@H](c4ccccc4)O[C@@H](CNCCO)[C@H]3O[C@@H]2O1 4777509 WNXSLSQRNSYQQJ-FHULIHMCSA-N 351.399 0.928 0 40 FCAB CSCC[C@H](NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)O 5159072 UDEQFBPNLSBGPL-STQMWFEESA-N 370.427 0.596 0 40 FCAB Cc1ccc(C)c(COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 5361129 AVXIUBCNWZFOHY-UHFFFAOYSA-N 356.382 0.794 0 40 FCAB COC(=O)C1CCN(C(=O)COC(=O)c2ccc(OC)cc2O)CC1 7396396 FBFSRWOAABGNCP-UHFFFAOYSA-N 351.355 0.969 0 40 FCAB CCN(C(=O)COC(=O)c1n[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 8684936 NEQFWZCAWFWQDT-NSHDSACASA-N 365.411 0.755 0 40 FCAB CC(=O)N1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 13011611 WIEJMZZIPFBPDX-UHFFFAOYSA-N 362.386 0.270 0 40 FCAB CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3CC)CC1 13533030 VSTYXTMHQGPTPD-UHFFFAOYSA-N 361.406 0.233 0 40 FCAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc2c(c(N(C)C)n1)CN(C)CC2 19711590 CSIPORDZQPSZEG-INIZCTEOSA-N 374.489 0.720 0 40 FCAB Cc1cnn(CC(=O)N2CCCC[C@@H]2CCNS(=O)(=O)N(C)C)c1 19748960 OPKBBVGAUXHELQ-CQSZACIVSA-N 357.480 0.359 0 40 FCAB CNc1cc(CC2CCN(S(=O)(=O)N3CCOCC3)CC2)nc(C)n1 19758758 OUAHXHDAARDTGY-UHFFFAOYSA-N 369.491 0.658 0 40 FCAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CCOC)CC2)cc1 23652701 ZOROQTSMLUQIND-UHFFFAOYSA-N 356.444 0.816 0 40 FCAB Cc1cc(Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(=O)[nH]n1 31817019 VOIJGXRSKHFFER-UHFFFAOYSA-N 355.441 0.752 0 40 FCAB COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCN(C)CC1)C(=O)O 61721238 OXXPLDWCPVAEHT-NSHDSACASA-N 369.443 0.812 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCCn2ccc(C(F)(F)F)n2)CC1 96098995 NHXDAVYWGVDXPV-UHFFFAOYSA-N 368.381 0.690 0 40 FCAB O=C(N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1O)c1cnccn1 257240847 HVKLDHZLCNXQDJ-HUUCEWRRSA-N 356.382 0.223 0 40 FCAB CN(C(=O)Cn1c(O)nc2ccccc2c1=O)[C@H]1CCN2CCO[C@H]1C2 519864333 KFKNKYSOFUJMCJ-GJZGRUSLSA-N 358.398 0.034 0 40 FCAB C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c2nccn21 527992662 ZTNWUPQUHQJNKS-AAEUAGOBSA-N 353.448 0.708 0 40 FCAB C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)NCCc1ccnn1C 583619951 LIOZBNQLWYZWGX-KDOFPFPSSA-N 356.426 0.895 0 40 FCAB COCc1nnc2n1CCN(S(=O)(=O)c1c(C)nn(C)c1C)[C@@H]2C 585098501 YWJPNFYQBSTNEW-LLVKDONJSA-N 354.436 0.540 0 40 FCAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2cnn(C)c2)Cc2ccnn21 585112565 SUMATRKTLFQXTF-OAHLLOKOSA-N 352.464 0.503 0 40 FCAB Cc1nonc1CC(=O)N1C[C@H](CC(N)=O)[C@H](OC(=O)c2ccccc2)C1 643586964 NBVZYOVJQBTHKK-DZGCQCFKSA-N 372.381 0.480 0 40 FCAB COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2nc[nH]n2)CC1 651885619 QLYCGQWEDYANIN-UHFFFAOYSA-N 371.850 0.973 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2sc(C)nc2C)CCO1 681944472 YTTJCXDWYVPDJU-GFCCVEGCSA-N 355.416 0.534 0 40 FCAB Cn1c(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)cccc1=O 1565553036 HVGYSBOJRMMRHR-UHFFFAOYSA-N 369.425 0.253 0 40 FCAB C[C@@H]1CN(C(=O)c2cccc(CN)c2)CCN1c1nccn2cnnc12 1576796762 WJLNZXFNJXMUTL-CYBMUJFWSA-N 351.414 0.934 0 40 FCAB CCN=c1cc(C)nc(N2CCN(c3nc(OC)cc(OC)n3)CC2)[nH]1 1888857112 OCKIIYLEQNEADF-UHFFFAOYSA-N 359.434 0.773 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H]2OCC[C@@H](C(=O)Nc3cccnc3)[C@@H]2C1 2055714776 QWOISXHVJVAKGG-QLFBSQMISA-N 368.459 0.554 0 40 FCAB C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 5412806 YEXVXKIMPBHRQR-JMJKVCOMSA-N 353.415 0.244 0 40 FCAB CN(C(=O)CSc1nnc(-c2cccnc2)o1)[C@H]1CCS(=O)(=O)C1 6172682 PTSNOBUVQVHWSF-NSHDSACASA-N 368.440 0.869 0 40 FCAB Cc1csc(=O)n1CC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 10427083 JUWXBTGTQUMAKR-UHFFFAOYSA-N 366.443 0.589 0 40 FCAB CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C(/C)Cl)CC1 12232463 DJZSHXMSYMORAF-WZUFQYTHSA-N 366.853 0.708 0 40 FCAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 15805426 URJZLRMMKWFFLW-PWSUYJOCSA-N 373.500 0.849 0 40 FCAB COc1ccccc1S(=O)(=O)N1C[C@H](NC(C)=O)CC12CCNCC2 19704136 JCKCOISEJLNQLN-CQSZACIVSA-N 367.471 0.717 0 40 FCAB CNc1nc([C@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CCN(C)C2 19708497 CKBAKIPHXFTBOC-CQSZACIVSA-N 368.507 0.840 0 40 FCAB CN(C)Cc1cc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)nn1C 19710070 SVVQWMZBYITPQZ-HNNXBMFYSA-N 357.480 0.196 0 40 FCAB OCCN1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 22466318 BDDYDEXOAJPVSR-CQSZACIVSA-N 359.264 0.799 0 40 FCAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C)S(C)(=O)=O 22606676 DEBJPQQUGNBFLJ-UHFFFAOYSA-N 360.388 0.320 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 23149640 GZJAWLLLXVMCFC-UHFFFAOYSA-N 363.443 0.937 0 40 FCAB C[C@@H](Cn1cccn1)NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 24807114 IWGANNVFLZMYNQ-LBPRGKRZSA-N 361.427 0.517 0 40 FCAB CS(=O)(=O)N1CCN(CCNC(=O)CSCc2ccccc2)CC1 44226418 IEYNLLRPFGDJOK-UHFFFAOYSA-N 371.528 0.613 0 40 FCAB CCOC(=O)CN(CCOC)C(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 58393962 FJQMSZKLSBACQA-CYBMUJFWSA-N 364.398 0.839 0 40 FCAB CCOC(=O)C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(OC)c1 71827911 RIBLLQXXTDPLFM-SMDDNHRTSA-N 372.443 0.743 0 40 FCAB Cn1nnnc1COc1ccccc1C(=O)NCCCN1CCOCC1 96101394 CRCPUFZDWXKWOF-UHFFFAOYSA-N 360.418 0.241 0 40 FCAB CN1CCN(c2ncnc3c2CCN(S(=O)(=O)C2CC2)CC3)CC1 96255703 YUDNCWCVWYGJFD-UHFFFAOYSA-N 351.476 0.121 0 40 FCAB COc1ccccc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCOCC2)c1=O 222670950 UKCWFVIJVFMARG-UHFFFAOYSA-N 361.354 0.065 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2nccnc2-c2nccn2C)C1 257208474 BMHVEULQHBFNDG-CYBMUJFWSA-N 364.475 0.938 0 40 FCAB CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)c3cscn3)C2)CC1 257307485 SYVAXFZGAPDQQE-INIZCTEOSA-N 352.460 0.321 0 40 FCAB Cn1cc(C(=O)N2CCC(Nc3cccnn3)CC2)c([C@@H]2CCCNC2)n1 573676312 PPJYSMKIQGVFRO-CQSZACIVSA-N 369.473 1.394 0 40 FCAB Cn1cnc2c1C[C@H](COc1ncccn1)N(C(=O)CC1(O)CCC1)C2 585094901 SVUKAPWKPVXYMX-CYBMUJFWSA-N 357.414 0.848 0 40 FCAB Cc1snnc1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC(=O)N(C)C 585108472 RJBBVGPPJFWGEX-GHMZBOCLSA-N 351.432 0.140 0 40 FCAB COCCn1cc(CNC(=O)N2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)cn1 585123263 ONDLFRJIRBTVOQ-BXUZGUMPSA-N 364.406 0.893 0 40 FCAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)CCn3ccc(O)nc3=O)C2)n1 585340186 PVXWMBNFYOFYSK-CQSZACIVSA-N 373.413 0.816 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCc2ncnc(-c3ccncc3)c2CC1 1565553823 KNLDMZMYUZZVIE-UHFFFAOYSA-N 360.439 0.901 0 40 FCAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)[C@H]5CCOC5)C[C@H]4C3)ncnc21 2086968340 MSOQGQUHTNKBKR-BFHYXJOUSA-N 356.430 0.777 0 40 FCAB CC[C@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COC(C)C 625957 ZNQWANUJEPNPPI-QWRGUYRKSA-N 353.423 0.420 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3c(Cl)c(C)nn3C)[C@H]2SC1 2782635 WKERSIOSCVSUHK-ISVAXAHUSA-N 370.818 0.754 0 40 FCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(C(=O)c2ccco2)CC1 3505716 CUEHDMMWMFSKJU-UHFFFAOYSA-N 374.397 0.429 0 40 FCAB CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 8508047 ZSDNUKMSCANCBI-CYBMUJFWSA-N 371.459 0.348 0 40 FCAB Cc1c(CC(=O)N[C@H]2C=CS(=O)(=O)C2)c(=O)oc2cc(O)cc(O)c12 9052084 GUNYYYLSXUQCLA-VIFPVBQESA-N 365.363 0.482 0 40 FCAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(c2cnccn2)CC1 11543278 QHJMFGZIPNIGPA-UHFFFAOYSA-N 350.382 0.604 0 40 FCAB NC(=O)C1CCN(C(=O)CN2C(=O)N3CCCN=C3c3ccccc32)CC1 12142798 PTYSNXHFIPQFCM-UHFFFAOYSA-N 369.425 0.803 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc2ccccc2c1 12622770 IIJASFWVPXGHDF-OAHLLOKOSA-N 362.407 0.892 0 40 FCAB COC[C@@H](C)NC(=S)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 13038568 GGVDMTAOKLMULW-HWPZZCPQSA-N 366.443 0.876 0 40 FCAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C1CCN(S(C)(=O)=O)CC1 14172090 NGKDOPUHCPIHLG-JSGCOSHPSA-N 360.476 0.896 0 40 FCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(C)cc1 20674586 DXYCHLKVKHZTMJ-HZPDHXFCSA-N 372.425 0.475 0 40 FCAB CCN1CCN(C(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)CC1 26112779 SZYPBWWRHVAUNH-MRXNPFEDSA-N 367.471 0.768 0 40 FCAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)NC3CC3)ccc21 28325089 YJHIJSAZWHUYOY-CYBMUJFWSA-N 365.411 0.563 0 40 FCAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccc2c(c1)CCO2 30371900 JSQFVMIZJHSXLS-UHFFFAOYSA-N 366.171 0.873 0 40 FCAB CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 30603618 POPWMCZUTNPVLM-INIZCTEOSA-N 369.487 0.681 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)s1 32788535 WIZREJGITBAWLF-UHFFFAOYSA-N 367.452 0.892 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)O[C@H](C(N)=O)c2ccccc2)CC1 32882577 ZDOBMHTXRPOIGX-AWEZNQCLSA-N 354.428 0.818 0 40 FCAB Cn1nc2c(cc1=O)CN(Cc1csc(CS(C)(=O)=O)n1)CC2 78620522 SRSPURLDLOICJS-UHFFFAOYSA-N 354.457 0.340 0 40 FCAB CN1C(=O)CO[C@H](C(=O)NCCN2CCOCC2)[C@@H]1c1ccc(F)cc1 96181767 DJYOOUDLTUOEQY-IRXDYDNUSA-N 365.405 0.172 0 40 FCAB Cc1cc(CNS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)n(C)n1 252491971 MAMONSNVIMOFIL-UHFFFAOYSA-N 350.400 0.846 0 40 FCAB COCC(=O)N1CC2(CCN(C3CCN(C)CC3)CC2)C[C@@]1(C)CO 257227910 FRNMZOQBORRCLP-SFHVURJKSA-N 353.507 0.793 0 40 FCAB Cn1c(=O)c2ccc([C@H]3CN(C(=O)C4CCCC4)CCO3)nc2n(C)c1=O 257320002 VUYDMHZVYCDMCV-OAHLLOKOSA-N 372.425 0.722 0 40 FCAB CN(C)S(=O)(=O)N1Cc2cncn2[C@H](COc2ncccc2F)C1 306124477 BQSONUCDRPOTKZ-LBPRGKRZSA-N 355.395 0.659 0 40 FCAB O=C(O)c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 567796410 AVMJZOIXJHPVBG-VIFPVBQESA-N 367.832 0.894 0 40 FCAB O=C(c1cccc(O)c1)N1Cc2ccnn2[C@@H](C(=O)N2CCOCC2)C1 575403144 DJYZOGUOZBQXPF-MRXNPFEDSA-N 356.382 0.645 0 40 FCAB CN1CCO[C@@H](CNS(=O)(=O)c2cnn(C)c2)[C@@H]1c1ccccc1 583616701 DRRNBNKBMJRFRD-HOTGVXAUSA-N 350.444 0.770 0 40 FCAB Cc1nnnn1-c1cccc(NC(=O)c2ccnc(N3CCOCC3)n2)c1 624073856 GWUMRJLIIGXGDC-UHFFFAOYSA-N 366.385 0.850 0 40 FCAB O=C(Nc1ccnnc1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1219048617 YBUHPUPJGQEBOI-ZDUSSCGKSA-N 355.420 0.135 0 40 FCAB CC(=O)N1CCC(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1 1542656171 WHGUMXTWSUNZOC-INIZCTEOSA-N 350.463 0.186 0 40 FCAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C)CC2)C12CNC2 1549174389 CIBCRALMQZKHRH-QGZVFWFLSA-N 356.470 0.750 0 40 FCAB O=C(c1csnn1)N1CCO[C@]2(COCCN(c3cncnc3)C2)C1 1614933914 RDYXPADSQJYNRD-HNNXBMFYSA-N 362.415 0.076 0 40 FCAB COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1 1848356260 MOFODRLJOMLWPZ-SFHVURJKSA-N 361.398 0.134 0 40 FCAB Cc1noc(CN2C[C@@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@H]3C2)n1 1888930475 QQIGLPBDWVZLFU-CHWSQXEVSA-N 373.438 0.891 0 40 FCAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(C(=O)Cn2ccnn2)CC1 2055732766 ZNHMRBJQEQSWHO-UHFFFAOYSA-N 374.420 0.979 0 40 FCAB NS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCCC2=O)ccc1Cl 3515932 YCYWPGWHBTYILQ-UHFFFAOYSA-N 360.775 0.293 0 40 FCAB CCCn1c(C)c(C)n2c3c(=O)n(CC(=O)OCC)c(=O)n(C)c3nc12 4314427 MAJAWNLGBLJPKO-UHFFFAOYSA-N 361.402 0.739 0 40 FCAB O=C(COC(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccc2ccccc2c1 4682090 NQEGOOGHWAXUFJ-UHFFFAOYSA-N 353.334 0.872 0 40 FCAB O=c1n(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)n2n1CCC2 4686521 IVBIZFPVQVFCQJ-UHFFFAOYSA-N 364.427 0.379 0 40 FCAB C[C@@H](OC(=O)CN1CSCC1=O)C(=O)NC(=O)NC1CCCCC1 7782693 YKRXFAKRJUCPEY-SNVBAGLBSA-N 357.432 0.610 0 40 FCAB C[C@@H]1C(=O)N(CC(=O)NCC(=O)N(C)C)C(=O)N1c1ccc(Cl)cc1 9364410 USYSMFAJQCXAPL-SNVBAGLBSA-N 366.805 0.702 0 40 FCAB CS(=O)(=O)c1ccc(NCCN2CCOCC2)c(S(C)(=O)=O)c1 12533182 YVEMVZGKFPJMNZ-UHFFFAOYSA-N 362.473 0.238 0 40 FCAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N[C@H]1C=CS(=O)(=O)C1 13575390 FOHXKLRXQPJRLV-ISAHRAOESA-N 368.392 0.743 0 40 FCAB NC(=O)CN1CCC(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1 14199272 XTJLLAFITNERHH-UHFFFAOYSA-N 369.425 0.022 0 40 FCAB CCOC(=O)Cn1c(=O)n(-n2cnnc2)c(=O)c2c3c(sc21)CCC3 32095869 SRJNKTYVRDUVEL-UHFFFAOYSA-N 361.383 0.179 0 40 FCAB NC(=O)NC(=O)c1ccsc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 35897903 DVGHNGLKXOBWHA-XGEHTFHBSA-N 353.356 0.373 0 40 FCAB CCOC(=O)c1c[nH]nc1S(=O)(=O)NCCCN1CCC(C)CC1 40040317 CGRYKKYVQCKYJP-UHFFFAOYSA-N 358.464 0.987 0 40 FCAB O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(CCN1CCCCC1)C2 96038729 BBKXUGDGBSIOLY-IEBWSBKVSA-N 351.491 0.812 0 40 FCAB COc1ccc(CCNC(=O)Cn2nc3n(c2=O)CCCC3)cc1OC 98211241 HMCRGWMWDFMTPW-UHFFFAOYSA-N 360.414 0.757 0 40 FCAB O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N1CCCC[C@H]1CCO 257241454 HYBWSBVUBFAJNS-JTQLQIEISA-N 353.400 0.967 0 40 FCAB C/C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 257383831 BCJMNZRQJAVDLD-GGCNFCMUSA-N 351.399 0.165 0 40 FCAB biogenic CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)N(C)CCC2 408494133 BWLIQVAEMHTXCI-UONOGXRCSA-N 365.455 0.598 0 40 FCAB O=C1N[C@@H]2CN[C@@H](C2)C(=O)NC[C@@H]2CCC[C@@H](CCOc3ccccc31)O2 514287469 DUDFKIKTZJBMGR-JKQORVJESA-N 373.453 0.983 0 40 FCAB CN1C(=O)CN(CC(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)C1=O 629949102 NQSIVJLTAYGEJJ-UHFFFAOYSA-N 372.385 0.232 0 40 FCAB CCN1C(=O)CC[C@H](C(=O)N2CCn3ccnc3C2)[C@H]1c1ccnn1C 668605445 PFKCURDVJHVSHQ-GUYCJALGSA-N 356.430 0.959 0 40 FCAB Cc1nnc2n1C[C@@H](CN(C)C)N(C(=O)Cc1cnn3ccccc13)C2 685943424 WILXJKBLMUDMCU-OAHLLOKOSA-N 353.430 0.749 0 40 FCAB CN(C)CCOC[C@H]1CN(C(=O)C2CC(F)(F)C2)Cc2nnn(C)c21 1565553197 NTSMLAFGIOVZFI-GFCCVEGCSA-N 357.405 0.864 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@H](NC(=O)c1ccncc1OC)CC2 1614941107 MTQSPLRNHZDFIW-GFCCVEGCSA-N 373.413 0.408 0 40 FCAB CC(C)NC(=O)[C@@H](C)N1CCN(c2nc3ccccc3c(=O)n2C)CC1 1888906564 SANAXZXOZXGYFQ-CQSZACIVSA-N 357.458 0.969 0 40 FCAB COCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 2140806 CUIKYLKSZVPUPE-SECBINFHSA-N 365.249 0.879 0 40 FCAB O=C(O[C@H]1CCOC1=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 6429007 PXKSRSFVEBVWKG-LBPRGKRZSA-N 373.358 0.319 0 40 FCAB O=C(Cn1nc(Br)nc1Br)N1CCOCC1 8296445 NLPIJESKVVSDPY-UHFFFAOYSA-N 354.002 0.662 0 40 FCAB CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O 8429410 YBRLWUJWCNIKSB-LBPRGKRZSA-N 360.457 0.873 0 40 FCAB CSCC[C@@H](C(=O)NCCC(=O)O)n1c(O)nc2ccccc2c1=O 8971910 XRQASEJKPLXWQB-LBPRGKRZSA-N 365.411 0.987 0 40 FCAB biogenic C[C@H](CCc1ccco1)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 9112507 MQKSIPUPBFPKGL-GFCCVEGCSA-N 373.413 0.554 0 40 FCAB COc1ccc(N([C@@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1 10283560 HVDREWFTOJHQRT-ZDUSSCGKSA-N 369.443 0.150 0 40 FCAB CNC(=O)NC(=O)CSc1nnc(-c2cccs2)n1CC(N)=O 12760495 FKXKQZWXMSTMST-UHFFFAOYSA-N 354.417 0.040 0 40 FCAB C[C@@H](NC(=O)Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)c1ccco1 13009696 NEENMPNWJSRHDG-YGRLFVJLSA-N 351.334 0.929 0 40 FCAB COCCN(CCOC)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 13995572 MYZDWZBXZZNGGW-NSHDSACASA-N 358.416 0.690 0 40 FCAB COCCNC(=O)CSc1nnc(-c2cccc(C)c2)n1CC(N)=O 16928894 CBERJPSJBZKEKU-UHFFFAOYSA-N 363.443 0.594 0 40 FCAB CCCc1n[nH]c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1 21726973 DOBSZGKPZFCPHW-ZETCQYMHSA-N 352.420 0.100 0 40 FCAB CC(C)CN1CCO[C@@H](CNC(=O)Cn2ncc3ccccc3c2=O)C1 32270502 QDGXWIDXEKZFQC-INIZCTEOSA-N 358.442 0.870 0 40 FCAB CS(=O)(=O)N1CCN(CCCc2nnnn2-c2ccccc2)CC1 51150889 BQCDWGWWGTYGNX-UHFFFAOYSA-N 350.448 0.172 0 40 FCAB CN(C)S(=O)(=O)CCCN1CCN(Cc2ccc3c(c2)OCO3)CC1 57847802 OKWHUUMAICULQH-UHFFFAOYSA-N 369.487 0.814 0 40 FCAB COc1ccc(CCNS(=O)(=O)c2[nH]ncc2C(=O)O)cc1OC 75166035 FPQRUEAMCBXJEJ-UHFFFAOYSA-N 355.372 0.646 0 40 FCAB C[C@H](CS(C)(=O)=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 76094088 NPMUYWWYXYZSMP-CABCVRRESA-N 373.519 0.212 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 85470764 FHCVFMXJAFZDTL-UHFFFAOYSA-N 365.459 0.557 0 40 FCAB COC(=O)CCN1CCN(C(=O)c2cc(C)nc3c2cnn3C)C[C@@H]1C 95993462 UGWIEQLSJZCXKV-ZDUSSCGKSA-N 359.430 0.986 0 40 FCAB Cc1ncoc1C(=O)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1 96215120 UMZDRXBZRZAEGG-ZDUSSCGKSA-N 359.386 0.823 0 40 FCAB O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 96225648 OVEQUQFZMXMVOW-ACJLOTCBSA-N 358.398 0.738 0 40 FCAB CNC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CCC(=O)N2[C@@H]1c1ccc(OC)c(OC)c1 247959465 PVKXEZWIHBYMBF-HMTTWLPMSA-N 362.382 0.813 0 40 FCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@H](CC(=O)NCC2CC2)C1 253490817 KCQHCJXWPSNROP-OAHLLOKOSA-N 354.476 0.591 0 40 FCAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3ccnn3C)CC2)OC[C@]1(C)O 257206931 BFNLNFXPTHYVKJ-HOCLYGCPSA-N 350.419 0.071 0 40 FCAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(CC(=O)N2CCCC2)C1 257230124 GAXYAYNNHRHLSV-CYBMUJFWSA-N 354.476 0.690 0 40 FCAB CN1CCN(CC(=O)NC2CCN(CCc3ccccc3)CC2)CC1=O 333121730 HDTFQCYMVJJJAW-UHFFFAOYSA-N 358.486 0.584 0 40 FCAB COC[C@@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1)C1CC1 583614992 IKTSPPDEZJEQAJ-ZIAGYGMSSA-N 356.448 0.326 0 40 FCAB Cn1cnc(C(=O)N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)n1 585108059 ZFZRHNMYJIJKGU-LSDHHAIUSA-N 355.398 0.428 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cc4nc[nH]c4cc3F)C2)C1 685942937 UVTZMUSEIFTRMB-SECBINFHSA-N 359.361 0.121 0 40 FCAB Cn1cc([C@@]2(C)CN(C(=O)c3cnc(C4CCNCC4)[nH]3)CCO2)cn1 685943048 VCCHRFKHNBFCBQ-GOSISDBHSA-N 358.446 0.998 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCC2(OCCO)CCCC2)cc1 952987267 VHNANTJIHKLLLU-UHFFFAOYSA-N 370.471 0.988 0 40 FCAB COCCN1CC2(CCN(C(=O)Cc3ccn(C)n3)CC2)C[C@@H]1COC 1565542039 FHKWXUPPSRLCOO-QGZVFWFLSA-N 364.490 0.939 0 40 FCAB CCCNC(=O)c1n[nH]c2c1C[C@H](CNC(=O)CN(C)C(C)C)OC2 1565546833 FILBGVGHTPKOME-GFCCVEGCSA-N 351.451 0.447 0 40 FCAB NC(=O)c1ncccc1C(=O)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 1565555437 AKGCUTIDAAAQTD-GOEBONIOSA-N 370.409 0.747 0 40 FCAB CC(C)NC(=O)c1c2c(nn1C)CO[C@H](CNC(=O)CN(C)C(C)C)C2 1614927483 URPHXXRORTZKKG-ZDUSSCGKSA-N 365.478 0.456 0 40 FCAB Cn1c(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)cccc1=O 2055795957 ACDPRLGRHKLOFC-HNNXBMFYSA-N 373.453 0.780 0 40 FCAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 2694344 CYRPSXYZLRWKHM-UHFFFAOYSA-N 355.354 0.945 0 40 FCAB Cn1cc(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 5055972 IOPPILHSDUBTPM-UHFFFAOYSA-N 364.301 0.871 0 40 FCAB Cc1ccc(OCCC(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 5986992 ISNRSAYTQJJJFD-CYBMUJFWSA-N 355.412 0.610 0 40 FCAB CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)c(F)c2F)CC1 14159298 IEOGKGGOIZOAKO-UHFFFAOYSA-N 351.350 0.620 0 40 FCAB CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15328752 GDBRWQHUARZHCF-UHFFFAOYSA-N 357.819 0.558 0 40 FCAB O=C(CN1CCN(Cc2ccccn2)CC1)NC(=O)NCc1ccco1 22924522 DMYMJVCKUYIHQT-UHFFFAOYSA-N 357.414 0.818 0 40 FCAB COCCN1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1 23127340 VVNTVBCNCTVBIS-UHFFFAOYSA-N 351.422 0.917 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)COC)c1 27469935 CGWJTWLKJBCTEN-LBPRGKRZSA-N 359.448 0.030 0 40 FCAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)s1 28977267 RQILHWUOOZZNNY-UHFFFAOYSA-N 358.401 0.713 0 40 FCAB CC(C)N(CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cnn(C)c1 48299351 UVQBWYODVPOCEV-UHFFFAOYSA-N 365.459 0.917 0 40 FCAB CC(C)NC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520623 COEMAXBHDTZMPP-UHFFFAOYSA-N 351.432 0.282 0 40 FCAB CN(Cc1ccccc1)C[C@H](O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1 58162183 RHELTYQPQWKYCV-KRWDZBQOSA-N 366.425 0.932 0 40 FCAB Cc1noc(C)c1S(=O)(=O)NCCn1nc(C(F)(F)F)n(C)c1=O 90591377 HDZWZSZWHZRYFO-UHFFFAOYSA-N 369.325 0.184 0 40 FCAB CCNC(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CCOC 96143059 XGUJIWWBCYDSCT-INIZCTEOSA-N 353.444 0.968 0 40 FCAB CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccc(C)s3)C[C@@H]2N1S(C)(=O)=O 96182835 BDRXNAURJWBJCQ-BNOWGMLFSA-N 357.501 0.637 0 40 FCAB Cn1ccnc1CN1CCO[C@@]2(COCCN(Cc3ccncc3)C2)C1 96229444 XPZCXMLEZJHNQW-LJQANCHMSA-N 357.458 0.919 0 40 FCAB CCCS(=O)(=O)N1CC[C@@]2(CN(c3cccnc3)C(=O)CN2C)C1 96230512 AWZGXMKOXMBLMT-INIZCTEOSA-N 352.460 0.544 0 40 FCAB CCc1nccn1CC(=O)N(C)C[C@]1(O)CCCN(c2ncccn2)C1 257270222 MTGCYNQDYXMXEI-GOSISDBHSA-N 358.446 0.725 0 40 FCAB CN1CCN(C[C@@]2(O)CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 257280509 OLDSTIXLGHBYPI-INIZCTEOSA-N 357.451 0.199 0 40 FCAB Cc1c(CCC(=O)N2CCOC[C@H](Cc3cc(O)ncn3)C2)cnn1C 257304913 SNPYFBRTFLQQQY-CQSZACIVSA-N 359.430 0.874 0 40 FCAB COc1ncccc1C(=O)N1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257307258 SXWWZJAUZNANJZ-JTQLQIEISA-N 350.400 0.847 0 40 FCAB Cc1cncc(C(=O)N2C[C@H]3OC[C@H](CNC(=O)c4cnccn4)[C@H]3C2)c1 575404157 ADGSYCFTFVPWMK-ZMSDIMECSA-N 367.409 0.697 0 40 FCAB Cc1c(C(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)[nH]c2ccccc12 643586309 XWTNVYBBKHPARU-NUJGCVRESA-N 359.426 0.355 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565551745 KCUAVNUJXYCRHK-CZUORRHYSA-N 368.459 0.473 0 40 FCAB COCCN1C(=O)CN(C2CCN(c3ncnc4c3CCC4)CC2)C1=O 1888853380 OJHPVIRNTLYYCV-UHFFFAOYSA-N 359.430 0.845 0 40 FCAB CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)CC1 785078 YHGYYOAGNNRZDW-UHFFFAOYSA-N 368.441 0.614 0 40 FCAB Nn1c(SCC(=O)Nc2ccccc2F)nnc(CCC(=O)O)c1=O 5256946 SAQQGKDTPQSAJN-UHFFFAOYSA-N 367.362 0.239 0 40 FCAB C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)O 5324088 PRDQCKILOSCCSA-GARJFASQSA-N 365.361 0.273 0 40 FCAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(=O)[nH]n1 8284975 BSZZPGLNBQLCSC-UHFFFAOYSA-N 371.397 0.317 0 40 FCAB CNC(=O)NC(=O)COC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 9154662 PDIQHNDSAKPEIM-SECBINFHSA-N 371.390 0.885 0 40 FCAB Cn1nnc2c(N3CCN(C(=O)c4c(F)cccc4F)CC3)ncnc21 13532534 BTAZSBXTPFMBQE-UHFFFAOYSA-N 359.340 0.999 0 40 FCAB O=CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 19868968 CJWXCUVQISJMOW-CYBMUJFWSA-N 371.484 0.449 0 40 FCAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCN(CC(=O)N2CCCCC2)CC1 23249168 QVVFZMAHDTVJBK-GOSISDBHSA-N 362.449 0.982 0 40 FCAB Cc1cccc(NC(=O)CN2CCN([C@@H]3CC(=O)N(C)C3=O)CC2)c1C 23249220 FSLKAIFRKSWFEA-MRXNPFEDSA-N 358.442 0.617 0 40 FCAB O=C(CN1CCN(CC(=O)Nc2ccccc2)CC1)NCC(F)(F)F 24246559 ULXPAKWOACTKCK-UHFFFAOYSA-N 358.364 0.921 0 40 FCAB CCN(CC(=O)NC(C)C)Cc1nnc2n(C)c(=O)c3ccccc3n12 39985834 DECCDTVFOPINFR-UHFFFAOYSA-N 356.430 0.928 0 40 FCAB COC(=O)CCCCCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 40058790 NUEMXWDIXVUFPB-UHFFFAOYSA-N 362.386 0.095 0 40 FCAB COC[C@H](C)N(C)C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 58268159 YHNLEJQMOCBIOA-LBPRGKRZSA-N 374.459 0.866 0 40 FCAB CC1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 84698036 BPBZZVWXWBOAMW-JKSUJKDBSA-N 358.504 0.913 0 40 FCAB CC(C)c1nnc2n1C[C@H](NC(=O)CNC(=O)c1ncccc1O)CC2 95978446 TTZUHQOIDWEOSD-LLVKDONJSA-N 358.402 0.363 0 40 FCAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N3CCOCC3)C2=O)cc1 96224183 JXLMWWCPPVYLIV-HNNXBMFYSA-N 361.398 0.755 0 40 FCAB CN(C)CC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 96263882 PPDKEYGXYWSUCQ-KBPBESRZSA-N 367.471 0.621 0 40 FCAB O=C(NN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)o1 102609118 TWZRJTJYNJRZFB-ZHYWTAKUSA-N 355.144 0.849 0 40 FCAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1 225852864 PDLMXQZWMAQYEL-UHFFFAOYSA-N 357.501 0.803 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ncccn1)CC2 247881969 QNCGCXITHXNOQT-CYBMUJFWSA-N 368.459 0.237 0 40 FCAB Cn1ccnc1C(=O)N1CCC[C@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257273488 NGUHUEHMNWDEDY-LLVKDONJSA-N 351.432 0.642 0 40 FCAB O=C(c1cccc(-n2cnnc2)c1)N1CC[C@@](O)(CN2CCOCC2)C1 257321560 WCEJEFKBNXIQHQ-GOSISDBHSA-N 357.414 0.177 0 40 FCAB CN(C(=O)Cn1c(O)nc2ccccc2c1=O)[C@@H]1CCN2CCO[C@H]1C2 519864330 KFKNKYSOFUJMCJ-CABCVRRESA-N 358.398 0.034 0 40 FCAB O=C(CCn1ccc(O)nc1=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 585280669 NDFDWXVBMIJFCK-HZPDHXFCSA-N 357.410 0.791 0 40 FCAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1OCCc2ccccc21 643432549 UDZYIPACZNFNRI-KGLIPLIRSA-N 353.396 0.401 0 40 FCAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1 663053231 AWWHPFWVKCIFGW-BFHYXJOUSA-N 353.396 0.509 0 40 FCAB COC[C@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)CN1S(C)(=O)=O 1565542735 MCVBLEQHBXMJKJ-GFCCVEGCSA-N 356.448 0.312 0 40 FCAB C[C@H](c1ccccc1)n1c(N2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C 894422 OZJASCJKXWVJDK-GFCCVEGCSA-N 354.414 0.442 0 40 FCAB CC(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)O 4042176 VBVNAGGXPWGYAJ-OSBCOHAKSA-N 373.402 0.608 0 40 FCAB biogenic CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 4279294 BBFJZZWRXVVKEC-MTSZKFMLSA-N 351.399 0.945 0 40 FCAB in-vitro CS(=O)(=O)N(CCCC(=O)N1CCC(C(N)=O)CC1)c1ccccc1 4999233 WOMUIYJBETWUEF-UHFFFAOYSA-N 367.471 0.957 0 40 FCAB COc1ccc(C)cc1NC(=O)[C@@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C 7029308 MVERZBRIQSICCS-LLVKDONJSA-N 371.397 0.950 0 40 FCAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NCC(=O)NCc1ccco1 14246930 CXUCCVVNCQZNBK-UHFFFAOYSA-N 350.400 0.699 0 40 FCAB CCCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)NC(=O)CO3)C1=O 16662011 ZGZIVUYPACUWSO-UHFFFAOYSA-N 359.338 0.791 0 40 FCAB Nc1nc(COC(=O)CN2CSCC2=O)nc(Nc2ccccc2)n1 20076453 NYHPNHVSJSZQST-UHFFFAOYSA-N 360.399 0.774 0 40 FCAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCOCC3)=C2)c1 20219985 IHDPCFROHLGGAF-UHFFFAOYSA-N 365.411 0.417 0 40 FCAB O=C(C[C@@H](NCCN1CCNCC1)C(=O)O)Nc1cccc(Cl)c1 22031096 LYWYXFKTKDBJTP-CQSZACIVSA-N 354.838 0.617 0 40 FCAB COCCN(CCC(=O)NC(N)=O)Cc1nnc(-c2cccs2)o1 28956213 YZZDBBLWBNZVQX-UHFFFAOYSA-N 353.404 0.832 0 40 FCAB CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1cccnc1 31819649 KTCJWLLFEODONB-KGLIPLIRSA-N 368.459 0.209 0 40 FCAB CN1C(=O)N[C@@H](c2ccc(O)cc2)C2=C1CN(CCN1CCOCC1)C2=O 35590368 KLBDJMAMFKNUFD-KRWDZBQOSA-N 372.425 0.517 0 40 FCAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cnn(C)c2)c1 57279444 PFEXBFOLGLCBSM-UHFFFAOYSA-N 363.403 0.903 0 40 FCAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCCN3C(C)=O)nc(NC)c2C1 72372210 RQTBOVUVYDFFMI-AWEZNQCLSA-N 367.475 0.910 0 40 FCAB COC(=O)[C@@H](O)CNC(=O)c1ccn(-c2cccc(Br)c2)n1 95451059 VWJLMEFDXMPJME-LBPRGKRZSA-N 368.187 0.899 0 40 FCAB COc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cn1 95998974 AMSLMRHOCQRZMW-AWEZNQCLSA-N 369.443 0.357 0 40 FCAB CS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1ccc3c(c1)OCO3)C2 96108319 TYQIMWRSLOMFLR-CJNGLKHVSA-N 354.428 0.413 0 40 FCAB O=c1[nH]c2cc(S(=O)(=O)N3CC[C@H](Oc4cccnn4)C3)ccc2o1 225420297 NFBOYXYONGQDLU-JTQLQIEISA-N 362.367 0.753 0 40 FCAB CCNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)C1 245541243 QIAIJQORNGSHRG-RHSMWYFYSA-N 365.499 0.973 0 40 FCAB Cn1c(=O)c2cc(S(=O)(=O)N[C@@H]3[C@H]4CCCC[C@H]43)ccc2n(C)c1=O 248042655 OTDGJSLGNQBFRK-JYAVWHMHSA-N 363.439 0.704 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3cncc(C)c3)C2)CN1CC1CC1 253602580 PVDADGNLFMDUJR-INIZCTEOSA-N 358.442 0.441 0 40 FCAB CS(=O)(=O)NCC(=O)N1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]2C1 257256670 KMKPBJFRJFTSNZ-ZSHCYNCHSA-N 352.456 0.989 0 40 FCAB Cc1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2cnccn2)n(C)n1 306144940 ZSUXWRRSFQGFCT-OAHLLOKOSA-N 370.457 0.930 0 40 FCAB CN(C)c1ncc(NC(=O)NC(c2nccn2C)c2nccn2C)cn1 529027231 DUALERUHJZAWEO-UHFFFAOYSA-N 355.406 0.921 0 40 FCAB O=C1CN(C2CCN(S(=O)(=O)C3CC3)CC2)C(=O)N1CC(F)(F)F 585148462 FUOJEEZUHWROME-UHFFFAOYSA-N 369.365 0.770 0 40 FCAB COCCn1nc([C@@H]2CCCN(S(=O)(=O)C3CC3)C2)n(C2CC2)c1=O 585233895 SNHNWJGUEFTGEQ-GFCCVEGCSA-N 370.475 0.698 0 40 FCAB C[C@H](C(=O)N[C@H]1CCc2nc(N)sc2C1)n1cnc2c(N)ncnc21 614648985 LJZIGSNYPYOARQ-SFYZADRCSA-N 358.431 0.682 0 40 FCAB O=C(O)[C@H]1CN(S(=O)(=O)c2ccnn2CCc2ccccc2)CCO1 621243524 DCUHOMXDNXQBNM-CQSZACIVSA-N 365.411 0.600 0 40 FCAB CN(C)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)CCS(=O)(=O)C1CCCC1 1615588915 GOHZXBGTHCBYHL-KKUMJFAQSA-N 372.487 0.581 0 40 FCAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)OC[C@]1(C)O 1848354753 WCFUYTKVSHGJNC-IRXDYDNUSA-N 350.463 0.773 0 40 FCAB Cc1cc(C)cc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1 785779 RORCRQWKAULWPK-UHFFFAOYSA-N 367.471 0.793 0 40 FCAB CCN(CC)C(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 5040836 HMQRQEFDGBXOAH-PXAZEXFGSA-N 353.419 0.899 0 40 FCAB CC[C@H](C)N(C(=O)COC(=O)c1nccnc1N)[C@@H]1CCS(=O)(=O)C1 5231186 KJPYLAVGBNYOSE-WDEREUQCSA-N 370.431 0.030 0 40 FCAB CNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCO 6366361 QZRCHXRSVJBSAV-JTQLQIEISA-N 364.427 0.715 0 40 FCAB C[C@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(N)=O 7158113 IHVNAQKLCOIGAM-LBPRGKRZSA-N 370.427 0.057 0 40 FCAB COCCCNC(=O)Cn1c(=O)[nH]c2sc3c(c2c1=O)CCCC3 8739059 FOZQDWRAEWMCMV-UHFFFAOYSA-N 351.428 0.783 0 40 FCAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]c3=O)CC2)c1 9388496 VUEYNHJTLSSNRE-UHFFFAOYSA-N 361.423 0.830 0 40 FCAB Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCCCN(C)C)C(=O)N2C(C)C 9418462 IHBRMIXNLRCGMB-MRXNPFEDSA-N 360.458 0.975 0 40 FCAB Cn1c(=O)c2cc(C(=O)NCCSCc3ccco3)cnc2n(C)c1=O 12821125 LJHCNIUYXWZXSQ-UHFFFAOYSA-N 374.422 0.888 0 40 FCAB C[C@H](O)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 12883732 LZBURFZSWMUWSF-DCDNZZDYSA-N 364.423 0.985 0 40 FCAB biogenic Cn1c(=O)c2cc(NC(=O)COc3cccc(F)c3)cnc2n(C)c1=O 14017598 GGZDYECCXPPGMS-UHFFFAOYSA-N 358.329 0.789 0 40 FCAB COC(=O)c1ccc(OC)cc1O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 15394305 FVWJYFJMVZADCX-WDEREUQCSA-N 371.411 0.552 0 40 FCAB COCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16024847 MDOXVXRRTDHMSV-PRKYJLDLSA-N 357.410 0.690 0 40 FCAB Cc1cc(C(=O)NCCn2ncc3c(N4CCOCC4)ncnc32)no1 17014140 PMEFOVHFZLUTHE-UHFFFAOYSA-N 357.374 0.389 0 40 FCAB COc1cccc(N2C(=O)[C@@H]3NN=C(C(=O)c4cnccn4)[C@@H]3C2=O)c1 18038386 NMOZCKQFQXCMBL-GXTWGEPZSA-N 351.322 0.185 0 40 FCAB CCOC(=O)C1=C(COC(=O)c2c(C)nsc2NC)NC(=O)NC1 18380002 KSIJETBHYPOHTK-UHFFFAOYSA-N 354.388 0.780 0 40 FCAB C[C@H](NC(=O)[C@@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 24906638 QQPLKQHXIBJESJ-NWDGAFQWSA-N 355.398 0.872 0 40 FCAB CS(=O)(=O)c1cccc(NC(=O)CN2CCC3(CC2)OCCO3)c1 28078587 LEBQGFXPQKLCFW-UHFFFAOYSA-N 354.428 0.868 0 40 FCAB NC(=O)C1CCN(C(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)CC1 36589798 GMMHTMHHIKEJCD-CQSZACIVSA-N 358.398 0.891 0 40 FCAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@]2(C)CCS(=O)(=O)C2)C1=O 40012844 GSBUFNQEKPUTOH-YVEFUNNKSA-N 366.439 0.884 0 40 FCAB O=C(Cn1c(=O)n(CCO)c(=O)c2ccccc21)NCc1ccccc1 71283353 ZPIMXWJPPSYZNE-UHFFFAOYSA-N 353.378 0.472 0 40 FCAB O=C(NCCCn1ncccc1=O)c1coc(NC(=O)c2cnccn2)n1 77196611 HFNYTORELYQQPA-UHFFFAOYSA-N 369.341 0.094 0 40 FCAB CN(C)C(=O)c1cc(S(=O)(=O)NCCCCn2ccnc2)cn1C 95461756 FDENOPZYYARUCL-UHFFFAOYSA-N 353.448 0.682 0 40 FCAB CC(C)(C)n1cc(C(=O)N2CC(S(=O)(=O)N3CCOCC3)C2)cn1 95999318 IZDDHUSZEUOFFX-UHFFFAOYSA-N 356.448 0.125 0 40 FCAB COCCN1C[C@H]2CN(Cc3nccs3)CCN2C[C@H](C(=O)O)C1 96184924 SWEZBDRSURKTGQ-ZIAGYGMSSA-N 354.476 0.292 0 40 FCAB C1CC(CN2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)CCO1 107739713 WOAXGXKXARUTDS-MOPGFXCFSA-N 354.491 0.995 0 40 FCAB Cc1ccc(S(=O)(=O)[C@]23OC(C)(C)O[C@@H]2[C@@H](O)[C@@H]2CO[C@@H]3O2)cc1 169808036 GDLOUXJFINZTDN-ZHMBSYLPSA-N 356.396 0.733 0 40 FCAB COc1ccc(O[C@H]2CCN(C(=O)Cn3cnc(C)c(C)c3=O)C2)nn1 225437896 YXGLPWGOPAGDLI-ZDUSSCGKSA-N 359.386 0.339 0 40 FCAB CC(=O)N1c2ccccc2O[C@@H]2CC[C@@H](NC(=O)c3ccnn3C)[C@@H](O)[C@@H]21 257278707 ODHWJHBPROQVIS-BDQAWRDZSA-N 370.409 0.856 0 40 FCAB NS(=O)(=O)c1cc(F)cc(C(=O)N2CCNCC2)c1Br 521394594 MUZUDFJMEYUXSL-UHFFFAOYSA-N 366.212 0.281 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 575423282 OWOUZPJONQIBBZ-GFCCVEGCSA-N 363.457 0.174 0 40 FCAB COc1ccc(NC(=O)c2cc(O)ncn2)c(N2CCN(C(C)=O)CC2)n1 625062031 RKPFBYKLRKZAGI-UHFFFAOYSA-N 372.385 0.507 0 40 FCAB Cn1cc(O[C@@H]2CN(C(=O)c3ccccc3-n3ccnn3)C[C@H]2O)cn1 628261390 UCIOLDBRYQYQAF-HZPDHXFCSA-N 354.370 0.265 0 40 FCAB O=C(c1ccc(O)nn1)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615153836 FMENDNRAMBTDND-GOSISDBHSA-N 372.356 0.969 0 40 FCAB CC(=O)N[C@H]1[C@@H](OCCc2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 4025523 XTDWBJYOEJCBLM-DZVNLGKHSA-N 365.426 0.988 0 40 FCAB CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@]1(C)CCS(=O)(=O)C1 4505162 PGWHJKMPOZAFFZ-OAHLLOKOSA-N 374.484 0.586 0 40 FCAB CN(CC(=O)O)C(=O)NC[C@H]1CCC[C@@H](CNC(=O)N(C)CC(=O)O)C1 5525233 QTGHXCHFZAVOEG-TXEJJXNPSA-N 372.422 0.245 0 40 FCAB Cc1csc(=O)n1CC(=O)OCC(=O)N1CC(=O)Nc2ccccc21 7984890 HJXLERFCISZHDT-UHFFFAOYSA-N 361.379 0.747 0 40 FCAB O=C(Cn1cccn1)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 11119556 NDFICDDJHHURMX-UHFFFAOYSA-N 371.397 0.803 0 40 FCAB COc1ccc(CC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1OC 29207041 DWMLUYLBEXFWTB-ZDUSSCGKSA-N 356.444 0.787 0 40 FCAB O=C1CCC(=O)N1CC(=O)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386384 UODFXJHXASYBKV-AWEZNQCLSA-N 369.377 0.704 0 40 FCAB COc1ccc(COCC(=O)NCCN2CCS(=O)(=O)CC2)cc1 58044901 WCWZRXQTSSFIJV-UHFFFAOYSA-N 356.444 0.058 0 40 FCAB CC[C@H](C)NC(=O)CCNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 58195162 RSHOGDLRWWRFOT-WFASDCNBSA-N 359.430 0.528 0 40 FCAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@@H](O)CN1CCOCC1 84383683 XGRFCIGTCXMCMT-HYJLXUOHSA-N 360.863 0.923 0 40 FCAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)C1CC1)C2 96056983 NRYJHFOEXCDOLL-HOCLYGCPSA-N 360.476 0.455 0 40 FCAB Cc1ncoc1C(=O)N1CC[C@]2(CCC[C@@H](CNS(C)(=O)=O)O2)C1 96216666 KWKDGBMEAHUWQW-SWLSCSKDSA-N 357.432 0.686 0 40 FCAB Cc1ccc(O[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)nn1 225424624 DIGCZALWMXODHS-CQSZACIVSA-N 368.459 0.436 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cncnc2C)CCN1Cc1ccccc1 257253533 JZHTUXXEGLTSAV-KRWDZBQOSA-N 353.426 0.858 0 40 FCAB CC(C)Cn1nc2n(c(=O)c1=O)C[C@@]1(CCN(C(=O)c3ccco3)C1)OC2 306123735 AUXDEVONCWZEIM-SFHVURJKSA-N 374.397 0.469 0 40 FCAB CN(C)C(=O)COC[C@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575404334 AXPVEYCVCNMDDP-OAHLLOKOSA-N 358.398 0.891 0 40 FCAB O[C@@H]1CN(CC2(O)CCNCC2)C[C@]12C[C@H](c1cccc(F)c1)CO2 643586057 UYSNGOLNSSWLRM-KVSKMBFKSA-N 350.434 0.859 0 40 FCAB CN1CCN(C(=O)CN2CCCC[C@H](O)C2=O)C[C@H]1Cc1ccccc1 644472576 QIJJLFJGEKCVND-MSOLQXFVSA-N 359.470 0.745 0 40 FCAB C[C@H]1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)O1 661182095 SPOYGIVKNDWOCJ-MJBXVCDLSA-N 362.496 0.514 0 40 FCAB Cc1ccc(C)c(OC[C@H](O)CNC[C@H](O)CN2CCCC2=O)c1C 1118242437 ZHBWAARCZQBCAP-DLBZAZTESA-N 350.459 0.924 0 40 FCAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)[C@@H]2CCOC2)Cc2ncnn2C1 1565547598 SZFMKMVTVUDULL-KGLIPLIRSA-N 355.398 0.912 0 40 FCAB O=C([C@@H]1CCOC1)N1CC[C@H]2C(=O)N(Cc3ccncc3)CCO[C@H]2C1 1565550302 XWSZVSZWTLTKMR-ZACQAIPSSA-N 359.426 0.694 0 40 FCAB COc1cnc(C(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)nc1 1565555429 HYJJVIWKJJCZNO-UHFFFAOYSA-N 369.389 0.071 0 40 FCAB O=C(NCc1ccccn1)[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]2OCC[C@H]21 1614929106 KUVSRPFJJMTWLV-GVDBMIGSSA-N 373.453 0.866 0 40 FCAB COC(=O)c1ccnc(C(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)c1 1634194374 PWOMPQPDXLBXKW-UHFFFAOYSA-N 360.370 0.816 0 40 FCAB O=C1CN2CCN(S(=O)(=O)C3CC3)C[C@@H]2COc2ccccc2N1 1772594648 CTKJBJBOMINUDY-GFCCVEGCSA-N 351.428 0.496 0 40 FCAB Cn1nccc1C(=O)N1C[C@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888899207 HYBLLTHSNXTWTC-VXGBXAGGSA-N 352.402 0.305 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)OCC(=O)NCc2ccc(F)cc2)CC1 11594499 QAGPLPNABLULPH-UHFFFAOYSA-N 372.418 0.657 0 40 FCAB O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 15894308 IZUCBLHPUADLCC-PSFFPDNBSA-N 354.362 0.980 0 40 FCAB biogenic O=C1CN(CC(=O)Nc2cccc(Cl)c2N2CCOCC2)CCN1 19718731 BTKZXYRRJYVNKT-UHFFFAOYSA-N 352.822 0.547 0 40 FCAB CC1(C)CC(=O)c2cnc(NC(=O)CN3CCC(C(N)=O)CC3)nc2C1 20633872 WLEXMBIYHUHZFJ-UHFFFAOYSA-N 359.430 0.768 0 40 FCAB C[C@@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)N1CCc2sccc2C1 25384834 APFMYQJCQCRCTO-KOLCDFICSA-N 365.411 0.553 0 40 FCAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCO2 36357303 QQWQYOCKZOKFRJ-ONGXEEELSA-N 369.399 0.229 0 40 FCAB O=C(NCC(=O)N1CCCC1)NCc1cccc(CN2CCOCC2)c1 58167798 GEZYXRRFUIULMN-UHFFFAOYSA-N 360.458 0.940 0 40 FCAB O=C(CCn1nnc2ccccc2c1=O)Nc1cccnc1-n1cncn1 58194692 CMFUDBBHBWJMTD-UHFFFAOYSA-N 362.353 0.796 0 40 FCAB O=C(c1cnccn1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 58218901 UJYREHACYJMFRZ-UHFFFAOYSA-N 363.377 0.916 0 40 FCAB Cc1ccc(CN2CCN(C(=O)CN3CCC[C@H](O)C3)CC2=O)cc1C 72473049 OXQPNOJEKVZSTD-SFHVURJKSA-N 359.470 0.931 0 40 FCAB CCOc1ccc(OCCNC(=O)CN(C)[C@@]2(CO)CCOC2)cc1 96007185 HIQXRVSGQUEDEH-GOSISDBHSA-N 352.431 0.664 0 40 FCAB CN1CCN(C(=O)c2nn(C)c3c2CCN(Cc2cnn(C)c2)C3)CC1 96187496 ODAKPECTKWIYHM-UHFFFAOYSA-N 357.462 0.100 0 40 FCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 105352584 PJRFPGAZODKYNO-JFWKKOOVSA-N 357.410 0.586 0 40 FCAB Cc1noc(C)c1C(=O)N1Cc2cncn2[C@@H](CNS(C)(=O)=O)C1 251975162 DDNAGJFLKQTACA-LBPRGKRZSA-N 353.404 0.234 0 40 FCAB CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCC(=O)O 262310807 AISTZZIWXZRUKA-UHFFFAOYSA-N 350.418 0.032 0 40 FCAB CN1CCN(c2cc3c(nn2)CCN(C(=O)c2ccncc2)CC3)CC1 306129235 HYCBILXWQYYTQO-UHFFFAOYSA-N 352.442 0.864 0 40 FCAB O=C([C@@H]1CN(c2ccc3nncn3n2)Cc2ccnn21)N1CCCCO1 306132890 LVIXJRUAPLVLDJ-ZDUSSCGKSA-N 354.374 0.436 0 40 FCAB CC(=O)N(C)c1ccc(NC(=O)c2ccnc(N3CCOCC3)n2)cn1 627778809 IMFUMBWETNLCTJ-UHFFFAOYSA-N 356.386 0.943 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2ccc(C)s2)CCO1 681944226 WFPZVYIWUATLFG-CYBMUJFWSA-N 354.428 0.760 0 40 FCAB COc1cc(C(=O)N2CC[C@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@@H]3C2)on1 1565544194 APGBPNQDABEGKC-GMXVVIOVSA-N 373.369 0.732 0 40 FCAB Cc1ccc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)N3CCN(C)CC3)C2)o1 1614936827 PDACESCLYYNDIP-AWEZNQCLSA-N 372.429 0.226 0 40 FCAB Cn1c(O)nc(N2C[C@@H]3CN(c4ncnc5cnccc45)C[C@H]3C2)cc1=O 1888890191 YVZUEIOODZMIMI-VXGBXAGGSA-N 365.397 0.397 0 40 FCAB CCN=c1cc(C)nc(N2CCN(c3cc(C)nc4ncnn34)CC2)[nH]1 1889139120 YQYDMPRYGIJLBB-UHFFFAOYSA-N 353.434 0.711 0 40 FCAB CC(C)N1CCCC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1=O 2037985736 UQWBEJSKJMBKAR-SFHVURJKSA-N 353.463 0.337 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)CNCCc2ccccc2)cc1 3295881 WMLSQYXUIUETQK-UHFFFAOYSA-N 361.467 0.825 0 40 FCAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NC(=O)NCc1ccco1 3476001 FUDGVRLIGFTKLK-LBPRGKRZSA-N 373.365 0.967 0 40 FCAB COc1ccccc1O[C@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@H](O)[C@@H]1NC(C)=O 4559897 BUZDTRJMALZTAY-ALYAQQCSSA-N 367.398 0.816 0 40 FCAB O=C(C1=COCCO1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8241479 CWDDHMGCUZUWCY-UHFFFAOYSA-N 356.375 0.547 0 40 FCAB CCn1c(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)nnc1C1CC1 8249233 RRFKIRGIFYNVLN-AWEZNQCLSA-N 358.489 0.961 0 40 FCAB O=C(CSc1nnc(C2CC2)n1C1CC1)N[C@H]1CCS(=O)(=O)C1 8250175 FRLQVSTUUADDRV-JTQLQIEISA-N 356.473 0.886 0 40 FCAB CCCCn1c(=O)c2c(nc3n2CC(C)=NN3CCOCC)n(C)c1=O 10387003 WWPTWMODLJDCHJ-UHFFFAOYSA-N 362.434 0.929 0 40 FCAB O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)N1 13610134 LCHVIENXLWXKIM-WDEREUQCSA-N 363.395 0.534 0 40 FCAB Cc1cc(OCC(=O)N2CCN(CCO)CC2)c2c(C)cc(=O)oc2c1 13626076 KNRDZOVQOAHWAY-UHFFFAOYSA-N 360.410 0.925 0 40 FCAB Cc1nn(C)cc1CNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 13723492 GAMDPPFOMTUPET-UHFFFAOYSA-N 353.386 0.623 0 40 FCAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)N1CCC[C@@H](C(N)=O)C1 19576128 IAJBVXVPMSXCGS-OOOLOXNWSA-N 355.394 0.798 0 40 FCAB Cn1c(NC(=O)CCn2cc(Br)cn2)cc(=O)n(C)c1=O 27968880 FHUYTXOOBKOKLU-UHFFFAOYSA-N 356.180 0.072 0 40 FCAB O=C(NC1CC1)C(=O)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1 40118743 DIHNKUQVTMQSSZ-UHFFFAOYSA-N 355.398 0.659 0 40 FCAB CN1CCN2c3c(F)cccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 57105544 XNCJJVVYKFIBEY-ZDUSSCGKSA-N 360.389 0.539 0 40 FCAB CCS(=O)(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 96059502 JYCCAIMRBPONGJ-UHFFFAOYSA-N 351.432 0.317 0 40 FCAB CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 96366224 ZXRLQICBHQYNTC-UHFFFAOYSA-N 361.441 0.656 0 40 FCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 100172069 SMCSYGSHRDGSMS-HRLGVUPISA-N 371.345 0.952 0 40 FCAB Cc1cccnc1C(=O)N1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 257330423 XOIDEIANDYVHFC-BBRMVZONSA-N 353.444 0.391 0 40 FCAB CCOc1ccc(C(=O)NCCCO)cc1S(=O)(=O)N1CCCC1 408699320 WFVSNKHNQWZMOR-UHFFFAOYSA-N 356.444 0.982 0 40 FCAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H]1CCCS1(=O)=O 516584214 RPLOKHMVLPEIBY-KGLIPLIRSA-N 350.396 0.857 0 40 FCAB O=C(O)CN1CCC(NS(=O)(=O)N2CCc3ccccc3C2)CC1 548557516 DSYHMDCTQIBKGT-UHFFFAOYSA-N 353.444 0.428 0 40 FCAB O=C(O)CNC(=O)Cn1nnnc1Cc1ccc(Br)cc1 563148277 PLEXFRPXPDQMAM-UHFFFAOYSA-N 354.164 0.227 0 40 FCAB CCOC(=O)CCC(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O 575610829 BSTUGKKNGFHYLN-UHFFFAOYSA-N 373.406 0.786 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCc2nc(C3CCOCC3)no2)CC1 575615752 FTYJTYNWHBTXNK-UHFFFAOYSA-N 372.447 0.251 0 40 FCAB NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 671634395 FOLGPFWRRAMZDF-BZUAXINKSA-N 368.455 0.726 0 40 FCAB COc1ccc(OC)c(CNC(=O)NCc2nnc3n2CCOCC3)c1 1615590622 LSVRWZBDTQJRHU-UHFFFAOYSA-N 361.402 0.867 0 40 FCAB CCn1cc(CNC(=O)c2cnn(-c3ccccc3)c2N)c(O)nc1=O 1643398724 IVSMUGQIJKRAOS-UHFFFAOYSA-N 354.370 0.667 0 40 FCAB Cn1c(N)c(C(=O)CSc2ccc3c(c2)OCCO3)c(=O)n(C)c1=O 2652944 UQCBKKNIWGAYKL-UHFFFAOYSA-N 363.395 0.412 0 40 FCAB CC(=O)[C@@H](C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O 5056793 IPDHMMPXYQNWDI-ZDUSSCGKSA-N 374.788 0.849 0 40 FCAB Cn1c(=O)c2c(ncn2[C@@H](C(=O)N2CCCC2)c2ccccc2)n(C)c1=O 5185227 FQWVJYBUAJNVPX-CQSZACIVSA-N 367.409 0.646 0 40 FCAB CCN(Cc1cccc(F)c1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 7153559 AJGJGXLUEFBFIU-UHFFFAOYSA-N 373.388 0.622 0 40 FCAB COCCNC(=O)C(=O)NC[C@H](c1cccn1C)N1CCCCCC1 11898727 VCNZYZXSTYYLSU-MRXNPFEDSA-N 350.463 0.821 0 40 FCAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 11904392 ARVMBZGPRPIOKQ-GFCCVEGCSA-N 374.440 0.210 0 40 FCAB COCCn1c(=O)c2c(nc3n2CCN3c2ccc(OC)cc2)n(C)c1=O 12648365 ZVBPADOKFNUHTL-UHFFFAOYSA-N 371.397 0.703 0 40 FCAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NCCNC(C)=O)c1OC 13071393 JXWUGCQZYTUQNN-SNAWJCMRSA-N 372.399 0.216 0 40 FCAB O=C([C@H]1Cc2ccccc2O1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14252426 LLYOSDGKZYGZMH-GOEBONIOSA-N 350.440 0.321 0 40 FCAB C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024628 WCKBTDOWSCYDFM-HZEBRPNCSA-N 357.410 0.586 0 40 FCAB CN(CC(=O)NCCO)S(=O)(=O)c1ccc(Br)cc1 16187856 PIGLUURVSNIHBM-UHFFFAOYSA-N 351.222 0.178 0 40 FCAB CN1CCN(C(=O)[C@@H]2CN(C)C[C@]23COc2ccc(F)cc2C3=O)CC1 19589770 MONAHXOIYMCNEA-KXBFYZLASA-N 361.417 0.723 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCc2n[nH]c(=O)c3ccccc23)CC1 38608855 SXMSTFWKARIXHV-UHFFFAOYSA-N 364.427 0.211 0 40 FCAB O=C(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 52997140 WQWIDLXGJGMXPC-HZSPNIEDSA-N 354.403 0.349 0 40 FCAB CCN(C)S(=O)(=O)N1CCN(Cc2c(C)nc3n2CCCC3)CC1 95465276 CFMVCIXTVVHNMW-UHFFFAOYSA-N 355.508 0.842 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(=O)c1cnccn1)CCN(C(=O)C(C)C)C2 96036189 MDSPFTLTJLUASZ-IBGZPJMESA-N 373.457 0.656 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@]2(COCc3cnc(NCC4CC4)nc32)C1 96244139 XVOWWCUDRYETCL-INIZCTEOSA-N 367.475 0.579 0 40 FCAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CC[C@H](S(C)(=O)=O)C1)CS2 96369613 PFBHDEUAGCLVJE-NEPJUHHUSA-N 371.484 0.543 0 40 FCAB COc1cc(N2CC3(C2)CN(CC2CC2)[C@H](C(=O)N(C)C)CO3)ncn1 248048887 XDFJCPNTUFPUCQ-AWEZNQCLSA-N 361.446 0.243 0 40 FCAB Cn1ccnc1CN1CC[C@@H]2OCCN(S(=O)(=O)C3CC3)[C@H]2CC1 248100407 DPASSACOARWACY-GJZGRUSLSA-N 354.476 0.578 0 40 FCAB CC(=O)N1CC2(C1)CN(CC1CC1)[C@@H](C(=O)N(C)Cc1ccccn1)CO2 248153182 YILVLEZMKVCJLV-GOSISDBHSA-N 372.469 0.752 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cnccn2)CCN1CCc1ccccc1 257211754 CAGXLSYICPKFHK-QGZVFWFLSA-N 353.426 0.592 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(Cn3cccn3)c2)CCN1C 257295799 QZXVPONCIQUPII-INIZCTEOSA-N 371.441 0.442 0 40 FCAB CC(=O)NC[C@]1(O)CCN(Cc2c[nH]nc2-c2cccs2)C[C@H]1O 257301542 RYWZTBLEOARZKJ-GDBMZVCRSA-N 350.444 0.572 0 40 FCAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCO)cc1Cl 408587332 BMRYZTDQXDWFNT-SNVBAGLBSA-N 364.851 0.904 0 40 FCAB COCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408627068 XUSYUCNKQNFTDE-VIFPVBQESA-N 350.824 0.778 0 40 FCAB O=C1CCC(=O)N1CCOCCNS(=O)(=O)c1ccc2c(c1)CCO2 575620945 WSNHILGIJRAYOX-UHFFFAOYSA-N 368.411 0.065 0 40 FCAB CNC(=O)[C@H]1COC2(CN(Cc3cnn(C(C)C)c3)C2)CN1CC1CC1 585109371 MASTWZOIRUHCTF-QGZVFWFLSA-N 361.490 0.875 0 40 FCAB O=C(CCn1ccc(O)nc1=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585280668 NDFDWXVBMIJFCK-CVEARBPZSA-N 357.410 0.791 0 40 FCAB O=C1CCCN1[C@H]1CCN(S(=O)(=O)C[C@H]2COc3ccccc3O2)C1 641454200 VTLNFQWPTAHRRC-UONOGXRCSA-N 366.439 0.853 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 643720459 FIZXNEXOQUEILL-LJQANCHMSA-N 356.426 0.759 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cc(C)cc(F)c2)CCO1 681941867 HZOQJUPWBFTEEB-HNNXBMFYSA-N 352.362 0.908 0 40 FCAB O=C(NCC1CC1)[C@H]1C[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]2O1 1565549205 NWPGOGPDGHAEDL-BBWFWOEESA-N 358.442 0.941 0 40 FCAB COCCNC(=O)c1cnc2n1[C@H](CNC(=O)c1ccncc1OC)CC2 1614935153 PXNCGBGQFONLEW-LBPRGKRZSA-N 373.413 0.580 0 40 FCAB CCn1c(=O)c2c(nc(SCC(=O)NC3CCCC3)n2C)n(C)c1=O 887149 FCFAHKILJDLVCN-UHFFFAOYSA-N 365.459 0.605 0 40 FCAB COc1ccc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)c(OC)c1 3447180 PWOPMLWKEFBMQO-UHFFFAOYSA-N 350.371 0.585 0 40 FCAB COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1C 4116044 NTSLEHABRBJQFS-UHFFFAOYSA-N 357.414 0.849 0 40 FCAB biogenic COCCn1c(C)c(C)n2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 4314376 HEUDGJPBXVMFNB-LLVKDONJSA-N 361.402 0.563 0 40 FCAB C[C@H]1CN(C(=O)COC(=O)c2ccccc2NS(C)(=O)=O)C[C@H](C)O1 5575577 LYBBCHZAXPIHQP-RYUDHWBXSA-N 370.427 0.851 0 40 FCAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2cccs2)c1 5918069 PXQXMHYJUGQOMO-UHFFFAOYSA-N 355.441 0.477 0 40 FCAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)N1CCCC1)c(=O)n2C 9571691 JBFOJJWYECAZRU-UHFFFAOYSA-N 360.414 0.679 0 40 FCAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc2c(cnn2C)c1=O 14341829 XGPRMFAPFHIAEO-AWEZNQCLSA-N 369.381 0.031 0 40 FCAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nc(CNC)cc(NC)n1 19759684 XWAGXOPSGUIGEP-ZDUSSCGKSA-N 356.496 0.961 0 40 FCAB CCOc1ccccc1C(=O)NCC(=O)NCCNC(=O)c1ccco1 23041638 JYVPJZDYEZYVGK-UHFFFAOYSA-N 359.382 0.954 0 40 FCAB COc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCN(CC(N)=O)C1 68464924 SAQVEKYBLMSOIS-ZDUSSCGKSA-N 357.414 0.560 0 40 FCAB Cn1nc(N2CCC[C@H](C(=O)Nc3ncnc4nc[nH]c34)C2)ccc1=O 75166433 PFYSKOOZWXYQCW-JTQLQIEISA-N 354.374 0.302 0 40 FCAB CC(C)Nc1nc(N2CCOCC2)nc2c1CN(CC(=O)N(C)C)CC2 96254301 ONEVPSRPQFELSF-UHFFFAOYSA-N 362.478 0.580 0 40 FCAB CN1CCC(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1 219673907 VPRFVEFLANHNQG-UHFFFAOYSA-N 351.428 0.432 0 40 FCAB CCOC(=O)[C@@H]1C[C@@H]2C(=O)CCCC[C@@H]2N1S(=O)(=O)c1cnn(C)c1 219775280 KJPMRJJUYQXMBK-IHRRRGAJSA-N 369.443 0.874 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(c1nnc(C)s1)CC2 248047103 VXVRRRIRCYLEAZ-GFCCVEGCSA-N 360.505 0.971 0 40 FCAB Cc1cc(-c2nccnc2C[C@H]2CCN(S(=O)(=O)N(C)C)C2)[nH]n1 257242584 IDFHSMDZRIWOEF-GFCCVEGCSA-N 350.448 0.846 0 40 FCAB Cn1ccc(C(=O)N2CCC[C@@H](Cc3[nH]ncc3S(C)(=O)=O)C2)n1 257339391 ZBMLLAGPWFHHGG-NSHDSACASA-N 351.432 0.642 0 40 FCAB NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 332107407 FLLPOZWTKTUJJS-RYUDHWBXSA-N 369.418 0.458 0 40 FCAB NS(=O)(=O)c1cc2c(cc1Cl)N(C[C@@H](O)Cn1cccn1)CC2 528772175 QEBBMCMVNGFTCI-LLVKDONJSA-N 356.835 0.608 0 40 FCAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1142641452 DOYYJKOXGGFAQV-NDUPCHFUSA-N 373.428 0.968 0 40 FCAB CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)c1ncn(C)n1)C2 1565554036 PQCJGOMZELWVMT-UHFFFAOYSA-N 357.418 0.871 0 40 FCAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)c1cccc(=O)n1C)CC2 1565555222 BIYKPFACUXCWCZ-UHFFFAOYSA-N 360.439 0.785 0 40 FCAB C[C@@]1(C(N)=O)CN(CC2(O)CCN(c3ccccc3F)CC2)CCO1 1615193341 WZKKQEPQOZTLRZ-KRWDZBQOSA-N 351.422 0.733 0 40 FCAB Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(C(=O)c4cc[nH]n4)C[C@H]3O2)cn1 2055729634 CUXLIQJZDPFXIG-VBNZEHGJSA-N 370.413 0.444 0 40 FCAB CC(C)CNC(=O)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3594742 MNVVXBDULCQHHM-SFHVURJKSA-N 358.398 0.862 0 40 FCAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)n1cnc2c1c(=O)n(C)c(=O)n2C 5117963 GBAZYADFCVXFOB-QMMMGPOBSA-N 362.777 0.682 0 40 FCAB CCNC(=O)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 7645287 RBAFORTZOLVYOA-SNVBAGLBSA-N 361.851 0.649 0 40 FCAB C[C@H]1CCCC[C@H]1NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 8281664 TZMNHDOYKDBYIN-QWHCGFSZSA-N 361.446 0.909 0 40 FCAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)N[C@@H]1CCS(=O)(=O)C1 9457117 ZYPXGDHCVMTSEF-MRVPVSSYSA-N 358.470 0.972 0 40 FCAB COc1cccc(CNC(=O)C(=O)NCc2n[nH]c(=O)c3ccccc23)c1 9623374 DBBYEUCKUOPPPU-UHFFFAOYSA-N 366.377 0.864 0 40 FCAB NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc2c(c1)OCO2 9827635 NDPPQKGDLQRZBI-UHFFFAOYSA-N 364.383 0.320 0 40 FCAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 13582171 NGDIUUCZYMJDKO-UHFFFAOYSA-N 374.378 0.976 0 40 FCAB COc1cccc(CN(C)[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 16558513 YEPRCBDJQXWONL-LLVKDONJSA-N 360.414 0.378 0 40 FCAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1 22409551 CNLQURUJIGXIDC-UHFFFAOYSA-N 356.381 0.833 0 40 FCAB COC(=O)[C@H](C)NC(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O 31815824 UPKIBVYXOPKZSO-LBPRGKRZSA-N 361.398 0.928 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 32934637 UGVUHGXGQFQETQ-UHFFFAOYSA-N 355.391 0.563 0 40 FCAB O=S1(=O)CC[C@@H](NS(=O)(=O)c2ccc(Br)s2)C1 41573369 OQCSOEADRYUEKB-ZCFIWIBFSA-N 360.276 0.976 0 40 FCAB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 57509040 WIJKTXONTZVLON-DOTOQJQBSA-N 365.499 0.843 0 40 FCAB CC(=O)c1cccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 58203164 RIMSBKZDUVFLKA-UHFFFAOYSA-N 368.459 0.588 0 40 FCAB CC(=O)NCC(=O)NCC(=O)Nc1ccc(OCc2ccccc2)nc1 58224667 DDTXECBAVZRRJI-UHFFFAOYSA-N 356.382 0.851 0 40 FCAB CSCC[C@](C)(O)CNC(=O)C(=O)NCc1ccc2c(c1)OCO2 75157646 NNEJTRAOIVSYRN-INIZCTEOSA-N 354.428 0.652 0 40 FCAB Cc1nc2ncc3c(=O)n(CC(=O)N[C@H]4CCOC(C)(C)C4)ccc3n2n1 79474839 DUYZBXSBDRASBQ-LBPRGKRZSA-N 370.413 0.821 0 40 FCAB Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(C(=O)[C@H]4CCOC4)C3)C2)cn1 96225985 SWCMAIQTMNAXJY-UGSOOPFHSA-N 373.413 0.185 0 40 FCAB COCCN1C[C@@H]2[C@H](C1)c1nc(N3CCCC3)ncc1CS2(=O)=O 96251955 JFEFUOPDRDIWKA-UONOGXRCSA-N 352.460 0.419 0 40 FCAB Cc1cccc(OC[C@H](O)Cn2c(S)nc3c2c(=O)[nH]c(=O)n3C)c1 101225025 RQIFATLIQUSINB-SNVBAGLBSA-N 362.411 0.460 0 40 FCAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222737879 TVOYMUOQKLOLAY-CQSZACIVSA-N 369.487 0.821 0 40 FCAB CCS(=O)(=O)N(C)c1cccc(C(=O)NCCN2CCOCC2)c1 225968800 PWJRECFAFPALEJ-UHFFFAOYSA-N 355.460 0.535 0 40 FCAB O=C(NC[C@@]1(O)COCCN(Cc2cccc(O)c2)C1)c1cscn1 257212144 CCCQUIUSOPOOMR-KRWDZBQOSA-N 363.439 0.842 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)N(C)C[C@]1(O)CCN(c2ncccn2)C1 257272533 NCTGPQYLMVLUTC-GOSISDBHSA-N 358.446 0.469 0 40 FCAB Cc1cnc([C@H]2CCCN(C(=O)CN3CCN(CCO)CC3)C2)s1 257317114 VILYMIJQNFNFDK-HNNXBMFYSA-N 352.504 0.767 0 40 FCAB COc1cccc(S(=O)(=O)N2CCO[C@H](c3nccnc3N)C2)c1 257341735 ZLTJEEYGPDKOOH-ZDUSSCGKSA-N 350.400 0.830 0 40 FCAB CC(C)NS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(n2)CCC3)CC1 296750403 CLZQWXHUGPKMHE-UHFFFAOYSA-N 367.475 0.963 0 40 FCAB Cc1nn(C)c(C)c1/C=C/C(=O)N1C[C@H](CC(=O)N2CCCC2)[C@@H](O)C1 585290282 QEZLUUAFIBRPEJ-PDZIMXBZSA-N 360.458 0.882 0 40 FCAB Cn1cccc(C(=O)N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)c1=O 1565555353 YDMTUJCIRHXLOE-UHFFFAOYSA-N 351.428 0.025 0 40 FCAB COCCN1C(=O)[C@H]2CN(Cc3ccc(C)nc3)CCN2C12CCOCC2 1772595416 UKVMQBJFMDYMPJ-GOSISDBHSA-N 374.485 0.872 0 40 FCAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C[C@H]12 2055714875 WESANGSGLQTXRC-TUKIKUTGSA-N 371.434 0.176 0 40 FCAB Cc1nnc(SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)s1 3332691 WFELKJCXNBVATK-UHFFFAOYSA-N 351.413 0.775 0 40 FCAB C[C@H]1CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C[C@H](C)O1 5272541 AGIDIQZHKUADQV-RYUDHWBXSA-N 352.412 0.857 0 40 FCAB O=C(NCc1ccccn1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 5339643 OWYZBHZKBFYSEV-UHFFFAOYSA-N 374.422 0.876 0 40 FCAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1 7077709 NXQGLKNFOCSBKU-AWEZNQCLSA-N 369.487 0.916 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 9049983 BVHCCRYTNVGZFJ-LLVKDONJSA-N 364.782 0.531 0 40 FCAB Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1nc(N)c2ccccc2n1 9157512 NWUQMQGWPXXMGH-UHFFFAOYSA-N 361.383 0.555 0 40 FCAB CONC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 10586096 SFTDYWSOWWADRR-UHFFFAOYSA-N 357.388 0.035 0 40 FCAB CC(=O)c1ccc(N2CCN(CN3C(=O)C(=O)N(C)C3=O)CC2)c(F)c1 12542652 HYEDILXTEFIURJ-UHFFFAOYSA-N 362.361 0.528 0 40 FCAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1 19503747 ALBKRSDVIHCTDC-UHFFFAOYSA-N 355.460 0.528 0 40 FCAB O=C1C[C@H](N2CCOCC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1 19848972 ZTFYKGNSCIHYNK-INIZCTEOSA-N 357.410 0.773 0 40 FCAB Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1cccc(F)c1 26264499 LKEBGBKGTRCTKY-UHFFFAOYSA-N 355.347 0.607 0 40 FCAB COC(=O)Cn1c(SCCN2CCOCC2)nc2ccccc2c1=O 36614904 RHJYUNRIQRQCTE-UHFFFAOYSA-N 363.439 0.994 0 40 FCAB O=C(N[C@@H]1CCCCNC1=O)c1cccc(S(=O)(=O)NCC2CC2)c1 48103980 FNPXNSGSGJFPKU-OAHLLOKOSA-N 365.455 0.773 0 40 FCAB CCOC(=O)Cc1csc(NC(=O)CN2CC(c3nc(C)no3)C2)n1 49482670 YKGSETZJENYFBZ-UHFFFAOYSA-N 365.415 0.978 0 40 FCAB CCc1nncn1CCNC(=O)N1CCN(C(=O)N2CCCCC2)CC1 76212208 GUOYFCPXVQBOFF-UHFFFAOYSA-N 363.466 0.774 0 40 FCAB COc1ccc([C@H](CC(=O)NC[C@@H]2CCCO2)NS(C)(=O)=O)cc1 225955013 MYJWONICJFEMOE-GJZGRUSLSA-N 356.444 0.971 0 40 FCAB O=C(c1ccco1)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 247801461 GCWDGJLCQNTLBG-LBPRGKRZSA-N 363.395 0.778 0 40 FCAB O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)NCCO 409173290 OPOTWJWSVDZBRQ-CMDGGOBGSA-N 350.396 0.880 0 40 FCAB COc1ccc(CC(=O)N2CCC[C@](O)(C(N)=O)C2)cc1OC(F)F 529344178 QXFZNKFUFUPOJZ-MRXNPFEDSA-N 358.341 0.678 0 40 FCAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCc1ccc(C(N)=O)o1)CC2 547859190 QKSHAMCLJKYVRZ-KGLIPLIRSA-N 351.403 0.840 0 40 FCAB Cn1nnnc1SCC(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575611622 DVQHHTKRGXEWTC-JTQLQIEISA-N 369.838 0.816 0 40 FCAB Cc1cc(C(=O)N2Cc3cccn3C[C@H](CCNS(C)(=O)=O)C2)no1 585095580 YYQOMTOBQWQLMX-ZDUSSCGKSA-N 366.443 0.996 0 40 FCAB O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CNCCCO)[C@@H](O)C1 585285596 LGNDZFSAGNTMGA-RDJZCZTQSA-N 356.850 0.179 0 40 FCAB O=C(N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(-c2ccccc2)nn1)C1CCOCC1 1549159233 MNGHOKGETRPHAH-RCCFBDPRSA-N 372.425 0.616 0 40 FCAB O=C(c1ccccc1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@@H]2C1 1549162522 RMMFTGYMRRSODI-HNNXBMFYSA-N 355.394 0.954 0 40 FCAB Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)OC[C@H]2CCCO2)cn1 1615585911 IAQNXTBKNGAHAA-KGLIPLIRSA-N 357.432 0.897 0 40 FCAB CSCC[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)O 2432073 JQFJROFRZDQCDV-NSHDSACASA-N 361.445 0.340 0 40 FCAB CC(C)N(CCO)C(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4374444 ODGHVILATYQMLJ-CYBMUJFWSA-N 363.414 0.975 0 40 FCAB Cc1ccc(C(=O)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)cc1 4460535 ZXFPNUSVNGMMMZ-RRFJBIMHSA-N 360.366 0.659 0 40 FCAB CC1(C)S[C@@H]2[C@@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O 9302321 BPLBGHOLXOTWMN-SGMGOOAPSA-N 350.396 0.697 0 40 FCAB biogenic,investigational CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCn1cnc2ccccc21 10237868 CTHVHDBYNFHGQE-ZDUSSCGKSA-N 371.484 0.875 0 40 FCAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cnc2n(c1=O)CCS2 11153373 PGAFHWHJBDAGCG-UHFFFAOYSA-N 373.438 0.511 0 40 FCAB NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)cc1 13028708 VHJVVMVPEWHQJG-UHFFFAOYSA-N 370.408 0.762 0 40 FCAB O=S1(=O)C[C@H](N2CCOCC2)[C@@H](S(=O)(=O)c2cccs2)C1 13371078 YNPMMINJBUVTQT-QWRGUYRKSA-N 351.471 0.020 0 40 FCAB O=C(CN1CCN(c2cn[nH]c(=O)c2Cl)CC1)N1CCCCCC1 14112745 DUYCJDCKIKLQPX-UHFFFAOYSA-N 353.854 0.948 0 40 FCAB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2nccs2)CC1 21379988 SUSXDESEJDRRMQ-STQMWFEESA-N 372.516 0.299 0 40 FCAB COc1ccccc1N1CCN(C(=O)COC(=O)c2cnn(C)c2)CC1 25119905 XNPNDCAEOBEJQZ-UHFFFAOYSA-N 358.398 0.934 0 40 FCAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NCCO)cc1 32638817 HLGPCKQNFYWNGB-UHFFFAOYSA-N 357.366 0.985 0 40 FCAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)C(C)=O)CC1 40073750 UWLVEFJWKPVHOZ-UHFFFAOYSA-N 360.458 0.810 0 40 FCAB CC(C)CCOc1ccc(S(=O)(=O)N2CCN(CC(N)=O)CC2)cc1 56003936 VCTXVWSIJOTHHG-UHFFFAOYSA-N 369.487 0.903 0 40 FCAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 71288008 DMJDRQOEWSMHDZ-UONOGXRCSA-N 359.382 0.554 0 40 FCAB O=C(CN1C(=O)CCC1=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96365485 LKYCQZNYFIKTPT-ZDUSSCGKSA-N 350.396 0.210 0 40 FCAB CN1C[C@@H](C(=O)N2[C@@H]3CC[C@@H]2Cn2c(nc4ccccc4c2=O)C3)CC1=O 100119311 LPBVNVJFJJAPOK-BFHYXJOUSA-N 366.421 0.791 0 40 FCAB COCC(=O)N1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225469111 VTSCKXFNOOPPRC-UHFFFAOYSA-N 355.460 0.432 0 40 FCAB biogenic,in-vitro CCS(=O)(=O)CCN1Cc2cncn2[C@H](CNC(=O)CC2CC2)C1 253489533 FNORZEGKOGSMTB-OAHLLOKOSA-N 354.476 0.591 0 40 FCAB Cc1nn(C)cc1CCC(=O)NC[C@]1(O)CCCN(c2cnccn2)C1 257214478 CMDKTQQHVZFREG-GOSISDBHSA-N 358.446 0.599 0 40 FCAB O=C(NC[C@]1(O)CCN(CC2CCOCC2)C[C@H]1O)c1cscn1 257309256 UAGFHKXAIHZNLA-GDBMZVCRSA-N 355.460 0.097 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)Cc1ccccc1 408619496 ICMGWHOITQESCY-UHFFFAOYSA-N 350.444 0.851 0 40 FCAB COc1cccc(NC(=O)N[C@H]2CO[C@@H](CN3CCOCC3)[C@@H]2O)c1 514289040 MMDUFKXNIXMQAP-HRCADAONSA-N 351.403 0.277 0 40 FCAB biogenic,in-vitro O=C1CN(S(=O)(=O)c2ccccc2F)CCN1c1ncc(F)cn1 1565523449 NKYALBLBWCWVMO-UHFFFAOYSA-N 354.338 0.792 0 40 FCAB CN1[C@H](C(=O)NCC2CC2)C[C@@H]2CN(C(=O)CCc3cncnc3)C[C@@H]21 1565548996 KYMOESYFOFKWLZ-IKGGRYGDSA-N 357.458 0.467 0 40 FCAB CS(=O)(=O)c1cccc2sc(N3CC(N4CCNC(=O)C4)C3)nc12 1889108039 KXKBIZIGVXHGDB-UHFFFAOYSA-N 366.468 0.320 0 40 FCAB c1cc(N2CCOCC2)nc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1889211583 MOEMDUIHDUFBBE-UHFFFAOYSA-N 367.417 0.306 0 40 FCAB COc1cnccc1C(=O)N1CCc2nnc(Cn3cccn3)n2CC1 2055713889 VSTVQVNBKIJQJY-UHFFFAOYSA-N 353.386 0.625 0 40 FCAB Cc1nnc2c(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)nccn12 2086884580 PXERSSAWOQFDBO-GFCCVEGCSA-N 366.372 0.896 0 40 FCAB CO[C@@H]1O[C@H]2COC(C)(C)O[C@H]2[C@@H]1NS(=O)(=O)Cc1ccccc1 1751789 IZZAWLWAMFDOBV-BYNSBNAKSA-N 357.428 0.997 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(CC(N)=O)C(C)C)cc1 3348677 WXRZYBMJLDBAJY-OAHLLOKOSA-N 367.471 0.870 0 40 FCAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC(C(N)=O)CC1 6905816 DVBMEDJINOVBOV-OAHLLOKOSA-N 350.415 0.835 0 40 FCAB C[C@@H]1Oc2ccccc2N(CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1=O 12881889 JUZGKWAZAKMROR-STQMWFEESA-N 366.439 0.836 0 40 FCAB O=S(=O)(c1cccs1)N1CCN(c2ccc3nncn3n2)CC1 13847727 BJMUGSGUAUYRCS-UHFFFAOYSA-N 350.429 0.697 0 40 FCAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(N)=O)cc2)c1=O 15190835 JGRSIYBYWJUSLQ-UHFFFAOYSA-N 366.377 0.921 0 40 FCAB COc1ccc(N2C(=O)C[C@H](SC[C@@H](NC(C)=O)C(=O)O)C2=O)cc1 16899763 IOABLRHPBJKSMW-OLZOCXBDSA-N 366.395 0.650 0 40 FCAB COC(=O)C1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 23652366 ZXWAZIDVACAGEW-LJQANCHMSA-N 373.409 0.865 0 40 FCAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCOCC1 24864886 UXOVJGRVLPKMEK-UHFFFAOYSA-N 370.475 0.274 0 40 FCAB CN(C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)c1ccccc1 24991713 NIVLYESMKPTYAY-UHFFFAOYSA-N 361.379 0.905 0 40 FCAB CCCNC(=O)CN1CCN(C[C@H](O)COCc2ccccc2F)CC1 25231586 NDMLWXNKIDEQDH-KRWDZBQOSA-N 367.465 0.847 0 40 FCAB CCN1CCN(CCNC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 32815249 RHDIXNGDVPBUQP-UHFFFAOYSA-N 355.464 0.093 0 40 FCAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1 35485364 AGLPLYYJVIHCNC-SQNIBIBYSA-N 357.454 0.987 0 40 FCAB COc1ccc(CC(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1F 42312535 RALROQJTYCWZMH-UHFFFAOYSA-N 366.370 0.981 0 40 FCAB COC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 48005445 XUZDYEJRSYFRDJ-UHFFFAOYSA-N 370.431 0.429 0 40 FCAB Cc1ccc(S(=O)(=O)[C@]23OC(C)(C)O[C@H]2[C@H](O)[C@@H]2CO[C@@H]3O2)cc1 103626951 GDLOUXJFINZTDN-OJKRMQCYSA-N 356.396 0.733 0 40 FCAB CCc1ccccc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCOCC2)c1=O 222661986 CTJFDVHPIHCPJC-UHFFFAOYSA-N 359.382 0.619 0 40 FCAB O=C1CCCN1CC[C@@H]1CCOC12CN(S(=O)(=O)C(F)(F)F)C2 306137675 RCWQJZJSROOINP-SNVBAGLBSA-N 356.366 0.939 0 40 FCAB Cc1ccoc1CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 644515465 XIAFQDKNWDKDAS-CQSZACIVSA-N 371.459 0.924 0 40 FCAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)cc1 1634690846 ISWWGIFUVCHQKQ-CQSZACIVSA-N 351.428 0.965 0 40 FCAB Cc1ccc2nccc(N3CC[C@@](O)(CNC(=O)CCC(=O)O)C3)c2n1 1848354938 NLACAZXPEYWJJZ-GOSISDBHSA-N 358.398 0.860 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)Cc2ccc(C)cc2)CC1 2055745479 CKNSADMZRZNGQC-UHFFFAOYSA-N 369.469 0.912 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)Cc2ccsc2)CC1 2055745859 IOCWRRMJCRPPCJ-UHFFFAOYSA-N 361.471 0.665 0 40 FCAB COCC(=O)N1CCOC[C@@]2(C1)CN(c1cccc(OC)c1)C(=O)CO2 2055803589 NAUAHOCPAMYMTN-GOSISDBHSA-N 364.398 0.302 0 40 FCAB Nn1c(SCC(=O)Nc2ccc(Br)cc2)nncc1=O 4338092 XVOGYGHPYIZIBD-UHFFFAOYSA-N 356.205 0.845 0 40 FCAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCCc1ccccn1 5699838 WVRUVHMIQTVAEU-UHFFFAOYSA-N 358.423 0.869 0 40 FCAB CCCNC(=O)NC(=O)COC(=O)/C(=C/c1ccccc1)n1nnnc1C 6179928 QAUQWWRVKGEPDS-UVTDQMKNSA-N 372.385 0.759 0 40 FCAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CSCC1=O 7723402 RCOCTYGVKLKDHJ-UHFFFAOYSA-N 373.456 0.417 0 40 FCAB COCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 7881218 FGGWPIAPTMKHFB-UHFFFAOYSA-N 372.443 0.482 0 40 FCAB O=C(Cn1ncc(=O)c2ccccc21)N(C1CC1)[C@H]1CCS(=O)(=O)C1 8776197 SYRYNXJYTLLLRV-ZDUSSCGKSA-N 361.423 0.575 0 40 FCAB COc1ccc(N2CCn3c2nn(CC(=O)NC(C)(C)C)c(=O)c3=O)cc1 8849289 DNQGXKSBDGATRW-UHFFFAOYSA-N 373.413 0.480 0 40 FCAB O=C1[C@H]2CN(Cc3cccc4ncccc34)CCN2C(=O)[C@@H]2C[C@@H](O)CN12 14536187 LZMHNCPSSBPIPB-FHLIZLRMSA-N 366.421 0.223 0 40 FCAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(C(=O)C1CCOCC1)C2 96056995 NAOWZJVYBQGJMW-LPHOPBHVSA-N 368.474 0.916 0 40 FCAB COC(=O)C[C@@H]1CCCCN1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 195529424 JKRQPJJVYPCBRK-LKFLVWNSSA-N 360.410 0.738 0 40 FCAB CC(C)OCCCNS(=O)(=O)c1ccc(NCCO)c(C(=O)O)c1 217645188 RXGQJQGHNZKLFP-UHFFFAOYSA-N 360.432 0.882 0 40 FCAB CNC(=O)COc1ccc(S(=O)(=O)NCc2cc(C)nn2C)cc1 226687222 IGTMTIOUTMVNED-UHFFFAOYSA-N 352.416 0.332 0 40 FCAB COc1ncccc1CN1Cc2ccnn2[C@H](C(=O)N2CCOCC2)C1 247880619 PWHARMQGRJJQGL-INIZCTEOSA-N 357.414 0.702 0 40 FCAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H](n2cnc(C(N)=O)n2)C1 330359206 VTUUNMPFZAAURG-HIFRSBDPSA-N 368.441 0.992 0 40 FCAB CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)CC1 583615067 WBJKASZAQNJVKM-CQSZACIVSA-N 373.413 0.746 0 40 FCAB CSCC[C@H](NC(=O)c1ccc(CN2CCOCC2)cn1)C(N)=O 600263761 YLJPTCYFEXHYLO-ZDUSSCGKSA-N 352.460 0.251 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2cnn3ccccc23)CCO1 647732399 FUQWKUNHMZTAHD-OAHLLOKOSA-N 374.397 0.037 0 40 FCAB Cc1occc1C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@@H]1n1ccnn1 1069894047 CRDPZTGDOJLQJL-CABCVRRESA-N 355.402 0.769 0 40 FCAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@]1(OCCO)CCOC1 1565520009 YPMYTFWEPVXYGJ-MRXNPFEDSA-N 359.444 0.758 0 40 FCAB Cc1nnc(N2CCOC[C@]3(CCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)o1 1565547319 PUIWAOOXJSBYRJ-BORJPKMPSA-N 362.430 0.716 0 40 FCAB Cc1nnc2c(N3CCC[C@@H](N(C)S(=O)(=O)C4CC4)C3)nccn12 2086889459 DFXSOFZDZVWROJ-GFCCVEGCSA-N 350.448 0.826 0 40 FCAB Cc1cc(=O)oc2cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc12 1846413 SZNQDPUZKFSCNG-UHFFFAOYSA-N 352.298 0.465 0 40 FCAB in-man O=C(CCn1nnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O 2356579 QIHLOZKDGGJUSG-INIZCTEOSA-N 366.377 0.994 0 40 FCAB OC[C@@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@@H]1O 4257489 MRPKNNSABYPGBF-XZBIERFOSA-N 357.370 0.050 0 40 FCAB biogenic,in-vitro CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O 8651826 XUQAGEFQGZGTOD-NWDGAFQWSA-N 351.407 0.322 0 40 FCAB C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)c1ccccc1 10953106 SCFUFRDZJNRRFD-LLVKDONJSA-N 370.365 0.248 0 40 FCAB COCCn1c(C(=O)NCc2ccco2)cc2c(=O)n(C)c(=O)n(C)c21 11835573 RFPOKKOKRVXTDF-UHFFFAOYSA-N 360.370 0.208 0 40 FCAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCCN(C)C)cc2)C1=O 12021085 WMVXIBVDGCFZQX-GFCCVEGCSA-N 353.444 0.681 0 40 FCAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCN1C(=O)[C@H]3CCCC[C@@H]3C1=O)C2 12155784 VTGFZYHHZDEXDS-STQMWFEESA-N 372.425 0.528 0 40 FCAB CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N2CCc3ccccc3C2)C1=O 23876994 SQISEEUWMLHIAZ-IBGZPJMESA-N 373.409 0.835 0 40 FCAB COc1cccc(C(=O)OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1O 32910993 YWZORLDAGHOXJF-HNNXBMFYSA-N 357.384 0.251 0 40 FCAB O=C(CCCc1cccs1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 32924820 XGNFGQSBUZJDAU-GFCCVEGCSA-N 358.485 0.880 0 40 FCAB O=S1(=O)CC[C@@H](N2CCN(S(=O)(=O)c3cccs3)CC2)C1 34850672 OYUSMOAZKLEEAK-LLVKDONJSA-N 350.487 0.242 0 40 FCAB CC(=O)N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)CC1 34872270 BSYCTXRAOPCMIH-UHFFFAOYSA-N 368.459 0.040 0 40 FCAB Cn1ccnc1SCC(=O)Nc1c(C(N)=O)nnn1Cc1ccccc1 36646208 XXPKHIJAEDNYJS-UHFFFAOYSA-N 371.426 0.890 0 40 FCAB CC(C)(C)c1nc(CN2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)no1 40105771 UUUUFULQUTVYOU-GFCCVEGCSA-N 370.475 0.446 0 40 FCAB O=C(Cn1nc(-c2cccs2)ccc1=O)N[C@H]1CCS(=O)(=O)C1 44920431 XXDWWBJGJPGEOV-JTQLQIEISA-N 353.425 0.275 0 40 FCAB Cc1nccc(CNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)n1 57074487 BUHQCAMSOUCGNW-AWEZNQCLSA-N 355.464 0.788 0 40 FCAB C[C@H]1Cc2ccccc2N1CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1 68348783 VYBOIMSVBABCMZ-LBPRGKRZSA-N 362.455 0.854 0 40 FCAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cn1 70017484 QMLPYACFKLVRLI-KGLIPLIRSA-N 361.427 0.728 0 40 FCAB Cc1cnc(NC(=O)CNC(=O)N2CCN(c3ncccn3)CC2)s1 72401884 GHWPDPCHBHQJCN-UHFFFAOYSA-N 361.431 0.712 0 40 FCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1ccccc1O 72402400 IGVGNTVCFVYSOS-UHFFFAOYSA-N 356.386 0.653 0 40 FCAB COc1c(C(=O)NCCN2CCOCC2)nnn1Cc1ccc(C)cc1 96183361 KPQFRIPJWDLQSO-UHFFFAOYSA-N 359.430 0.705 0 40 FCAB Cc1cc(C(=O)N2CC[C@@](C)(O)[C@H](n3cnc4c(N)ncnc43)C2)on1 257277148 NWQBFMKSMXAVTB-BDJLRTHQSA-N 357.374 0.543 0 40 FCAB O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(Cc4ccccn4)C3)N2C1 514289944 QOXVTTUALPBFJJ-VQTJNVASSA-N 365.481 0.982 0 40 FCAB biogenic,in-vitro O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@@H](N2CCNC2=O)C1 518914829 LRYPMACEHZWRPW-OAHLLOKOSA-N 356.426 0.982 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)n2cccn2)C1=O 575612960 DVFHXKUGVFCTPX-NSHDSACASA-N 367.387 0.472 0 40 FCAB CC(=O)N1CCC(O)(CN2CC[C@@H]3[C@@H](CCCCN3CC(N)=O)C2)CC1 585285498 YYRWWABCLDLBAS-DLBZAZTESA-N 366.506 0.022 0 40 FCAB O=C(O)[C@H]1CC(=O)N(C2CCN(C(=O)N=c3cc[nH]cc3F)CC2)C1 649541922 OMVFGGBSFNTSJY-JTQLQIEISA-N 350.350 0.572 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cc(C)cc(F)c2)CCO1 681941868 HZOQJUPWBFTEEB-OAHLLOKOSA-N 352.362 0.908 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3ccc(C(C)C)nc3C)C2)C1 685943166 XFGWBLSLPYVMOW-CYBMUJFWSA-N 358.442 0.932 0 40 FCAB O=C([C@@H]1CCOC1)N1CCOC[C@@]2(CC[C@H](CN3CCOCC3)O2)C1 1565555985 LLTCVYCARSKIIP-JFIYKMOQSA-N 354.447 0.132 0 40 FCAB COc1ccc(C(=O)N2C[C@H]3OCCN(S(C)(=O)=O)C[C@H]3C2)c(C)c1 1614927275 GAWSLHYGISEAFV-CZUORRHYSA-N 368.455 0.736 0 40 FCAB O=C(Cn1cnc2c1CCNC21CCOCC1)N[C@@H]1CCNC12CCCC2 1615552942 TURCUPZKZGOFFM-MRXNPFEDSA-N 373.501 0.825 0 40 FCAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(C(=O)c3cnccn3)[C@@H]2CN1 2037984637 IBKVZRKZQRAZSK-FRFSOERESA-N 356.357 0.739 0 40 FCAB CN(C)C(=O)[C@@H]1C[C@@]2(CO1)CN(c1cc(C(F)(F)F)ncn1)CCO2 2056226008 HPPZKMIQXRIGGH-HZMBPMFUSA-N 360.336 0.948 0 40 FCAB COc1cc(OC)nc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086889693 NWYQGUXXTGSCKM-LLVKDONJSA-N 356.448 0.887 0 40 FCAB CC(C)CNc1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1 1443807 RRKWSLZZRDUQPN-UHFFFAOYSA-N 361.406 0.662 0 40 FCAB CN(C(=O)COC(=O)c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 4195180 PRKPTIKXTZOQSG-NSHDSACASA-N 355.368 0.218 0 40 FCAB COc1ccc(N2C(=O)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c(OC)c1 5728773 AJGYBXHAIWRPCN-UHFFFAOYSA-N 371.353 0.129 0 40 FCAB O=S1(=O)CC[C@H](NS(=O)(=O)c2ccc(Br)cc2)C1 7308400 LASFRUBWOYJWCF-VIFPVBQESA-N 354.247 0.915 0 40 FCAB Cn1ccc(C(=O)N2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)n1 12142582 QCZQRDQAYPUMEU-BLLLJJGKSA-N 354.414 0.949 0 40 FCAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCCN1CCCCC1 13669236 NCUMXGKTEKRBTR-UHFFFAOYSA-N 365.455 0.823 0 40 FCAB C[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(C)CC1 19819978 CDOKXUXLLZYQOU-CYBMUJFWSA-N 355.460 0.372 0 40 FCAB CCN1C(=O)[C@H](NC(=O)C(=O)NCCCN2CCOCC2)c2ccccc21 20623485 BZGKPUPFLICBFD-MRXNPFEDSA-N 374.441 0.049 0 40 FCAB O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1cccnc1 20729595 OTQCTUQBONUQHR-HNNXBMFYSA-N 352.394 0.981 0 40 FCAB CCOC(=O)c1c(C)oc2[nH]c(CN3CCN(C(C)=O)CC3)nc(=O)c12 21578571 FCCNPBOGJRSZCN-UHFFFAOYSA-N 362.386 0.665 0 40 FCAB O=C(CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1)Nc1nccs1 21704618 KEORDGQRRZZCQD-UHFFFAOYSA-N 366.384 0.155 0 40 FCAB COc1cc(OC)nc(NC(=O)CN2CCN(c3ccccn3)CC2)n1 24149223 PZKQACMVUCBHKK-UHFFFAOYSA-N 358.402 0.650 0 40 FCAB CCOC(=O)Cc1csc(NC(=O)c2ccc(-n3cncn3)nn2)n1 96097827 DQDMHQYPJUWMBK-UHFFFAOYSA-N 359.371 0.872 0 40 FCAB Cn1cccc1C(=O)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 96209826 AWPUVDPSALTRLE-OAHLLOKOSA-N 357.414 0.865 0 40 FCAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H]3CCCO3)C2)cnn1C 239412502 SUFMKEXVRQCCBI-UONOGXRCSA-N 370.475 0.424 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cccc(N3CCCC3)c2)CCN1C(C)=O 257236992 HETIYSVNAVZGJW-QGZVFWFLSA-N 358.442 0.706 0 40 FCAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)CCCn1cncn1 257242414 ICJHDVKPKNAXEP-SFHVURJKSA-N 358.446 0.943 0 40 FCAB Cc1nn(C)cc1CCC(=O)NC[C@]1(O)CCCN(c2ncccn2)C1 257279944 OIVQDMQCRHOKRV-GOSISDBHSA-N 358.446 0.599 0 40 FCAB CN(C)Cc1cccc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 257289236 PXRWPWHXZQZYKK-INIZCTEOSA-N 354.476 0.857 0 40 FCAB COc1ccccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O 409025555 SADQMRKKVDSGJW-UHFFFAOYSA-N 369.443 0.185 0 40 FCAB CNC(=O)C1CCC(NC(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 541781851 TWCNLJHSXVXZHW-UHFFFAOYSA-N 368.459 0.438 0 40 FCAB CCCS(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 575406507 YBMZJGDNEOUICI-RRFJBIMHSA-N 353.444 0.498 0 40 FCAB Cn1cc(N2[C@H](C(=O)O)CC[C@@H]2C(=O)N2CCOCC(F)(F)C2)cn1 630670303 JGQIKAXIGDORJE-NEPJUHHUSA-N 358.345 0.336 0 40 FCAB CN1CC[C@H](C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)S1(=O)=O 649246151 POCFIEVSLXHFNS-LLVKDONJSA-N 362.791 0.776 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@H](NC(=O)c1ncnc(C)c1C)CC2 1614937327 IGZKOZMYXNRHNQ-CYBMUJFWSA-N 372.429 0.411 0 40 FCAB CCN1C[C@]2(COCCN(C(=O)Cc3noc4ccccc34)C2)OCC1=O 2055784330 JNSBPPCFMBCGMX-IBGZPJMESA-N 373.409 0.847 0 40 FCAB O=C(O)CNC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 9331881 QQKKIHLWHWPLDL-HNNXBMFYSA-N 367.361 0.674 0 40 FCAB biogenic CC[C@]1(C)NC(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1=O 9834511 QMSILFMJYXXLRC-INIZCTEOSA-N 368.340 0.740 0 40 FCAB CC(C)[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 12530832 ZSQBXDJUCAHGJP-OAHLLOKOSA-N 369.425 0.947 0 40 FCAB Cn1ncc2c(N3CCN(c4nnnn4-c4ccccc4)CC3)ncnc21 12919634 UTTWRQOQOWLOOO-UHFFFAOYSA-N 362.401 0.666 0 40 FCAB CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 14862089 CXEULUVPYVDARI-UHFFFAOYSA-N 354.428 0.995 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ncc(C(N)=O)s2)cc1 24991520 XILDZMDRWFGTPZ-UHFFFAOYSA-N 354.413 0.745 0 40 FCAB C[C@@H]1CN(CC(=O)NCc2ccccc2S(=O)(=O)N(C)C)C[C@@H](C)O1 25411757 MIADVLPAXFWSMX-ZIAGYGMSSA-N 369.487 0.662 0 40 FCAB NCCCCCCNc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 43771669 NBGAGWFLDCAWGN-YNEHKIRRSA-N 350.423 0.398 0 40 FCAB Cn1nc(C(=O)NC2CCCCC2)cc1OCC(=O)N1CCOCC1 57312471 GJILHPBUHPYVPU-UHFFFAOYSA-N 350.419 0.720 0 40 FCAB CC(C)N(C)C(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 57934141 UKQKTFUXSACFTL-UHFFFAOYSA-N 367.427 0.525 0 40 FCAB Cn1ncc2c(N3CCN(CC(=O)Nc4ccc(O)cc4)CC3)ncnc21 65498745 ALHARILWIFWPIC-UHFFFAOYSA-N 367.413 0.830 0 40 FCAB O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCN(CCn2cncn2)CC1 82147367 JCRJLBGTMCHCKQ-UHFFFAOYSA-N 367.413 0.215 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@]1(O)CCOc2ccccc21 96026011 NEMYHAWMAAARQE-MRXNPFEDSA-N 351.428 0.986 0 40 FCAB COCC(=O)NCc1cc(=O)n2c(n1)CN(Cc1nccs1)CCC2 96059640 XGOYWNIQHMTYSD-UHFFFAOYSA-N 363.443 0.368 0 40 FCAB COc1cc(N2CC3(C[C@H](OCC(=O)N4CCCC4)CCO3)C2)ncn1 247916599 WFGPJGKNFFPNFQ-CQSZACIVSA-N 362.430 0.862 0 40 FCAB CC(=O)N1CCC(Cc2cnc(CNC(=O)[C@H]3CCCN3C)cn2)CC1 257203740 ARLVMCZMPJOZTN-GOSISDBHSA-N 359.474 0.988 0 40 FCAB COc1ccccc1CCC(=O)N1CCN(C(C)=O)C[C@H]1C(=O)N(C)C 257277889 NZXRHEGTUAJOMS-INIZCTEOSA-N 361.442 0.775 0 40 FCAB O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N[C@@H]1CCCN(c2ncccn2)C1 332875751 KCHDSQXFBHCHTM-UONOGXRCSA-N 358.446 0.756 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)N(CCN)[C@@]2(C)CCS(=O)(=O)C2)c1 575425506 FPOOERUPBABVMT-HNNXBMFYSA-N 360.501 0.830 0 40 FCAB CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCC[C@@H]2CCCO2)cn1 583622126 QSFYCTLSLXZUQB-GJZGRUSLSA-N 370.475 0.953 0 40 FCAB Cc1cc(OC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc(=O)n1C 585326526 TZKKWVDXLSFJFR-UHFFFAOYSA-N 358.398 0.471 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)C2CC(C(=O)O)C2)Cc2ccccc21 668313077 KKIREQCETSJZRF-UHFFFAOYSA-N 352.412 0.906 0 40 FCAB COCCN1[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]2OCCS1(=O)=O 1534645878 PALMWLXNJLVNFM-CABCVRRESA-N 369.443 0.580 0 40 FCAB CCOC(=O)CNC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2)c1=O 4165835 ZCWZHAWELYNUFN-UHFFFAOYSA-N 369.381 0.570 0 40 FCAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC(=O)NCc1ccco1 7605813 YQYKZWOHKJNYFT-UHFFFAOYSA-N 363.351 0.450 0 40 FCAB Nc1nc(SCC(=O)O)nc(O)c1NS(=O)(=O)c1ccccc1 8651773 DUQPYKCQCXTGJC-UHFFFAOYSA-N 356.385 0.742 0 40 FCAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 10688844 MXHNYQUHGQQYJL-UHFFFAOYSA-N 355.416 0.872 0 40 FCAB COC(=O)C[C@@H]1NC(=O)N(CN2CCN(c3cccc(C)c3)CC2)C1=O 12543595 LLXOEVVSKWWFBV-HNNXBMFYSA-N 360.414 0.558 0 40 FCAB Cc1ccc(N([C@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1C 13649589 XDBWDLPNCRQLNI-OAHLLOKOSA-N 367.471 0.759 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2CCOc3ccccc32)n(C)c1=O 19313446 LQFLBEMKMWTMKG-GFCCVEGCSA-N 369.381 0.074 0 40 FCAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccn(C)n2)cc1OC 24474213 NDJNRHYYGZTQJE-UHFFFAOYSA-N 368.415 0.744 0 40 FCAB CCc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cnn1-c1ccc(OC)nn1 24801499 ZRASNPBSVUDNBN-JTQLQIEISA-N 365.415 0.150 0 40 FCAB C[C@@]1(NC(=O)CN2C(=O)CSc3ccccc32)CCS(=O)(=O)C1 39978229 AFHUEZGLBGZUIB-OAHLLOKOSA-N 354.453 0.819 0 40 FCAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1=O 40024644 LRGRCSBHRIXIHN-NWDGAFQWSA-N 352.412 0.446 0 40 FCAB COc1ccc(CCNC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)cc1 41070541 SOBDPNNXBZWVJI-UHFFFAOYSA-N 363.439 0.872 0 40 FCAB CCc1[nH]c(C(=O)NCCn2nc3ccccn3c2=O)c(C)c1C(=O)OC 58177843 BPCXKNHDLUWQRW-UHFFFAOYSA-N 371.397 0.912 0 40 FCAB O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(Cn2cccn2)cc1 65476145 OGOHTUMNWJJVMG-UHFFFAOYSA-N 362.455 0.392 0 40 FCAB O=C(CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 65499781 ZDZDLTSEUBDSJJ-MGPQQGTHSA-N 370.858 0.863 0 40 FCAB Cn1ccnc1CN1C(=O)CO[C@H]2CN(C(=O)NCc3ccccc3)C[C@H]21 67897656 SURWPDUSJYLFOK-CVEARBPZSA-N 369.425 0.742 0 40 FCAB biogenic,in-vitro COc1cccc(CO[C@H](C)C(=O)NCCN2CCS(=O)(=O)CC2)c1 69847981 IIPNPXZIXBXYOY-CQSZACIVSA-N 370.471 0.447 0 40 FCAB O=c1n(Cn2nnc3ccccc32)nc2n1-c1ccccc1C1=NCCN12 72348092 OFIZVSDCOGIIQB-UHFFFAOYSA-N 358.365 0.865 0 40 FCAB CC(=O)O[C@@]1(C)[C@H](C)C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 86053360 ZVBPCOQJPAOXMI-BMAQHJQJSA-N 367.398 0.178 0 40 FCAB Cn1nc(N2CCC(C(=O)NCc3csc4ncnn34)CC2)ccc1=O 90592559 BANGSUJPDZTYQG-UHFFFAOYSA-N 373.442 0.417 0 40 FCAB CS(=O)(=O)N[C@@H](CC(=O)NCCN1CCOCC1)c1ccc(F)cc1 225947955 SUZACQZIJGFQPI-HNNXBMFYSA-N 373.450 0.255 0 40 FCAB Cc1cc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)n(C)n1 227168463 BIMAHKOPFSDVAS-SNVBAGLBSA-N 350.400 0.926 0 40 FCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCn3nccc3C2)cc1 238934274 VIVJBTRRZUHNSV-UHFFFAOYSA-N 360.395 0.741 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2cncn21 247558801 YBSSPYHNRPSPHW-HNNXBMFYSA-N 366.418 0.697 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2c[nH]nc2C)CCN1CCc1ccccc1 257330849 XQHCRUBHZOUNDU-QGZVFWFLSA-N 355.442 0.833 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cncnc2C)CCN1CCc1ccccc1 257341359 ZKABFTOPBGWSBC-GOSISDBHSA-N 367.453 0.900 0 40 FCAB CN1[C@H]2CC[C@H]1CN(C(=O)NC[C@H]1CCn3ncc(C(N)=O)c3C1)CC2 279627425 HODVMHXGOJQYBN-IHRRRGAJSA-N 360.462 0.423 0 40 FCAB COc1cc(N2C[C@H]3OC[C@H](CNC(=O)c4cccnc4)[C@H]3C2)ncn1 306131760 KPCOGTNPHBYNCV-RRFJBIMHSA-N 355.398 0.761 0 40 FCAB CCn1cc(CN2CCn3cc(CC(=O)NCCOC)nc3[C@H]2C)cn1 306140434 UTPVDGJIBLJUPS-CQSZACIVSA-N 360.462 0.981 0 40 FCAB Cc1ccc(NC(=S)N(C[C@@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1 575419990 CCBUIANMVMELMD-ZIAGYGMSSA-N 358.485 0.534 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)Cc3cccc(F)c3)C[C@@H]21 585110127 MUOIIHFUVSTWJN-DZGCQCFKSA-N 372.400 0.752 0 40 FCAB CCS(=O)(=O)N1CCC[C@@H](c2nn(CCOC)c(=O)n2C2CC2)C1 585233501 FJVDAXLYNIOQSH-GFCCVEGCSA-N 358.464 0.555 0 40 FCAB Cc1noc([C@@]23CCN(C)C[C@@H]2CN(C(=O)Cc2c(C)n[nH]c2C)C3)n1 685941947 DVNGHUHKKIITCR-RDTXWAMCSA-N 358.446 0.992 0 40 FCAB Cc1nc2ncnn2c(N2CCC(NS(=O)(=O)C3CC3)CC2)c1C 2086861288 BMRZIOVLXNLAOJ-UHFFFAOYSA-N 350.448 0.792 0 40 FCAB Cc1nnc2c(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)nccn12 2086884581 PXERSSAWOQFDBO-LBPRGKRZSA-N 366.372 0.896 0 40 FCAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCC2)cc1C 4438646 ZJTKOYWJADXLGX-UHFFFAOYSA-N 354.428 0.747 0 40 FCAB C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 9853918 ISOLXPSOTZFQSX-CYBMUJFWSA-N 354.428 0.568 0 40 FCAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(S(C)(=O)=O)CC2)c1C 14122307 VWJPYKGOTPUBPB-GFCCVEGCSA-N 371.459 0.567 0 40 FCAB COc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1cccc(F)c1)CC2 16850452 AAZVAYSBOWWZIL-UHFFFAOYSA-N 359.357 0.882 0 40 FCAB O=C(C[C@@H](NCCCN1CCOCC1)C(=O)O)Nc1cccc(F)c1 22997084 WKLAFJLPBUZLAD-OAHLLOKOSA-N 353.394 0.919 0 40 FCAB CCOC(=O)c1ccc(OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 24469396 NWJKVERYLOSGBQ-MRXNPFEDSA-N 355.412 0.936 0 40 FCAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(C)CC3)N2)cc1 25183310 IAYITLDAMUIPEG-OAHLLOKOSA-N 372.429 0.075 0 40 FCAB CC(C)OC(=O)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 32860256 GCZSVWMPOPITIC-LBPRGKRZSA-N 361.441 0.717 0 40 FCAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3COCCO3)n2)cc1 35315858 CIVMFFKBJQLCHN-HNNXBMFYSA-N 359.382 0.451 0 40 FCAB COc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1F 48287983 LJZJUEIUJYZGOA-ZYHUDNBSSA-N 370.402 0.808 0 40 FCAB O=C(CN1C(=O)CCC1=O)NCC1CCN(C(=O)c2cccnc2)CC1 70926625 ISZBGGNAASSFIZ-UHFFFAOYSA-N 358.398 0.199 0 40 FCAB Cc1cc(=O)c(OCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)co1 72404131 QMOMZAOKLZTUEU-UHFFFAOYSA-N 358.276 0.980 0 40 FCAB CC(=O)N1CC2(CCN(S(=O)(=O)C3CC3)CC2)[C@@]2(CCN(C)C2=O)C1 96036409 UUORRBPJRLFMEX-KRWDZBQOSA-N 369.487 0.271 0 40 FCAB CN(Cc1ccccn1)C(=O)[C@]12COC[C@H]1CN(Cc1cnn(C)c1)C2 96110081 KRTSYOFYMOKACS-VQIMIIECSA-N 355.442 0.922 0 40 FCAB Cc1cc(CNC(=O)CNC(=O)c2ccccc2)nc(N2CCOCC2)n1 96121297 RXINWRYREVRDKZ-UHFFFAOYSA-N 369.425 0.668 0 40 FCAB CN1CCN(Cc2cccnc2)C(=O)C12CCN(S(C)(=O)=O)CC2 96230138 XRSSCNJXLUPEGP-UHFFFAOYSA-N 352.460 0.150 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@@H]12 100639116 GRWHQLHFLOEFCN-DZGCQCFKSA-N 357.366 0.888 0 40 FCAB COc1cccc(OC)c1CNC(=O)C1CCN(S(C)(=O)=O)CC1 226075687 ZNXWPYGPAXCOCO-UHFFFAOYSA-N 356.444 0.992 0 40 FCAB O=C1CCc2cc(S(=O)(=O)N3CC(n4ccnn4)C3)cc3c2N1CC3 244969080 GXHHDTWPQKAODB-UHFFFAOYSA-N 359.411 0.359 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cncc(-c3ncc[nH]3)n2)CC1 257298449 RLQOGLBHBFRABP-UHFFFAOYSA-N 350.448 0.928 0 40 FCAB CNc1ncccc1CN1CC[C@@](C)(O)[C@H](n2cc(C)c(O)nc2=O)C1 257321280 WAYPNUSLJHBMTH-RDTXWAMCSA-N 359.430 0.892 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)N2CCn3nc(C4CC4)cc3C2)C1=O 390829656 FSFGYAFTUMNSFZ-UHFFFAOYSA-N 353.404 0.393 0 40 FCAB CCN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1cccc2cccnc12 575424963 CWDLEICJGOXYPJ-OLZOCXBDSA-N 370.452 0.403 0 40 FCAB Cc1cnn(C)c1S(=O)(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C 585094374 SQTOBAQFPZNIOI-AWEZNQCLSA-N 356.492 0.992 0 40 FCAB Cn1cc(NC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)c(C(N)=O)n1 585114304 GSTBTUUDHMHEHJ-HTQZYQBOSA-N 350.297 0.442 0 40 FCAB Cc1cc(C(F)(F)F)nn1CCC(=O)NC[C@@H]1COC[C@@H](O)[C@H]1O 585283766 DLOGSTDYVKOGCL-BREBYQMCSA-N 351.325 0.085 0 40 FCAB CN(c1nccn(C)c1=O)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585593880 NLKVROMTDDOGQJ-UHFFFAOYSA-N 366.429 0.811 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(CN2CCCC2)on1 644060810 COXOBPBEWHJPHY-QGZVFWFLSA-N 350.419 0.638 0 40 FCAB O/C(=C1\CC(=[N+]2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1 1560406091 NLBUWSKFABIZQS-CCEZHUSRSA-O 365.408 0.812 0 40 FCAB CS(=O)(=O)CCC(=O)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565547229 MNHCXHDAAMIHJF-HOTGVXAUSA-N 367.471 0.318 0 40 FCAB CC[C@@H](C)NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 4495238 FBCQAKKELVVXGC-LLVKDONJSA-N 367.427 0.573 0 40 FCAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(F)c(F)c1)C1=C(COC1=O)N2 4495865 UVVOANRQZOAZLM-NSHDSACASA-N 361.304 0.731 0 40 FCAB COc1cccc(O[C@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)c1 4559904 KKDNZDNZSHFBCX-XAJHFOFHSA-N 367.398 0.816 0 40 FCAB Cc1nnc(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)n1N 5993201 OIALURVGPGVHKP-NSHDSACASA-N 361.493 0.064 0 40 FCAB CCOC(=O)c1cnc(SCC(=O)OCC(=O)N[C@@H](C)CC)nc1N 7147936 VMXWGQZVSLRFRT-VIFPVBQESA-N 370.431 0.786 0 40 FCAB COCCCn1c(SCCN2C(=O)c3ccccc3C2=O)n[nH]c1=O 7348240 QGUKFBKSKVUPNN-UHFFFAOYSA-N 362.411 0.996 0 40 FCAB CC(C)C(=O)N1CCC[C@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1 12118895 QFAFJSTWVWVEJL-NSHDSACASA-N 351.432 0.890 0 40 FCAB O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCOCC1 14120115 SWYTVFHEJIUGJZ-UHFFFAOYSA-N 368.333 0.722 0 40 FCAB Cn1cc(S(=O)(=O)N2CCC[C@H]2c2cccnc2)c(=O)n(C)c1=O 21759916 WPJDGYRVRHFYPX-LBPRGKRZSA-N 350.400 0.005 0 40 FCAB CC[C@]1(C)NC(=O)N(NC(=O)CNc2cc(C(=O)NC)ccc2C)C1=O 25739803 HAUVGPOTASDNTC-KRWDZBQOSA-N 361.402 0.518 0 40 FCAB Cc1cc(C)n2ncc(-c3noc(C(=O)NCC(=O)N4CCCC4)n3)c2n1 32104620 OQXCOGALCSTAOR-UHFFFAOYSA-N 369.385 0.748 0 40 FCAB COc1cc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c(OC)c2c1OCO2 35324648 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0.140 0 40 FCAB Cn1ccc(C(=O)N2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)n1 108529655 GARKSVXQMPGVPE-LBPRGKRZSA-N 356.448 0.123 0 40 FCAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222737743 KJWJYVDHHTYSEZ-CYBMUJFWSA-N 355.460 0.431 0 40 FCAB Cc1cccc(C(=O)N[C@@H]2CCOC[C@]23CC(C(=O)NC(C)C)=NO3)n1 306128361 GYNJELLXXYRORJ-CRAIPNDOSA-N 360.414 0.948 0 40 FCAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc2nc[nH]c2c1 390829832 GXOYEOXGBOFMLQ-CQSZACIVSA-N 362.455 0.944 0 40 FCAB CN(C)C(=O)[C@@H]1COC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)CN1C 575405246 HCHULXSTIPACBV-INIZCTEOSA-N 356.426 0.781 0 40 FCAB Cc1cnc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCOCC2)cn1 585097580 MUSOWXPDWLZEKU-HNNXBMFYSA-N 356.430 0.728 0 40 FCAB Cc1c([C@H]2CNC[C@@H]2C(=O)Nc2ccn(CC(F)(F)F)n2)cnn1C 643779658 MFDMYXXXPWZCPP-NEPJUHHUSA-N 356.352 1.429 0 40 FCAB COc1cc(CCNC(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)ccn1 685939091 CFJHKRUKQRGAAG-MJBXVCDLSA-N 369.443 0.086 0 40 FCAB CN(C)CCN1CCOCC2(CCN(C(=O)CC3(O)CCC3)CC2)C1 1565542734 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13009778 YSFYLJQQVNTXHY-UHFFFAOYSA-N 350.375 0.805 0 40 FCAB COCCN(C(=O)c1ccoc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 24477830 OYZUAHKLFTWCDF-UHFFFAOYSA-N 350.375 0.661 0 40 FCAB O=C1c2ccccc2C(=O)N1C[C@H](O)Cn1cnc2ncccc2c1=O 25227547 CQJXYQSOMQJVGU-LLVKDONJSA-N 350.334 0.449 0 40 FCAB CC(C)(C)C(=O)NCCC(=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268475 SZHWNOFMQPJRRF-UHFFFAOYSA-N 370.427 0.815 0 40 FCAB CCOc1ccc(S(=O)(=O)NC2CCN(CC(=O)NC)CC2)c(C)c1 58195323 QWUNYKCBGVYKKG-UHFFFAOYSA-N 369.487 0.882 0 40 FCAB O=C(CNC(=O)c1ccoc1)NCC(=O)N1CCN(c2ccccc2)CC1 58202471 BDUVXBKSQFKSEI-UHFFFAOYSA-N 370.409 0.474 0 40 FCAB CN(C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)S(C)(=O)=O 58217544 QDLQXQHGZHLQPO-HNNXBMFYSA-N 354.428 0.709 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)O)cc1C(=O)O 85344800 BBXVFOIOIFPCBO-SNVBAGLBSA-N 363.413 0.878 0 40 FCAB O=C1N=c2c(Cl)cc(Cl)cc2=C1NNC(=S)NC[C@@H]1CCCO1 100527391 FDVYHCKZCSJNNN-QMMMGPOBSA-N 373.265 0.409 0 40 FCAB O=C(O)[C@H](CO)N(C(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 217371406 GOGSKUCEMQWSPO-RYUDHWBXSA-N 361.803 0.415 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)c3cc(OC)ccc3Cl)C2)CN1C 247962358 FTKDSENMQSTVHO-CQSZACIVSA-N 367.833 0.620 0 40 FCAB CCn1cc(C(=O)N2CCOC[C@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257342992 ZQYWJLDPOQIWFH-NSHDSACASA-N 353.404 0.243 0 40 FCAB Cn1cc(N2C[C@H](C(=O)Nc3ccc(O[C@@H]4CC(=O)N4)cc3)CC2=O)cn1 627658373 ZQBYTDDMTGCAAL-BDJLRTHQSA-N 369.381 0.637 0 40 FCAB Cn1ccc(CC(=O)N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)n1 1142067627 CGPPBHUSGZSQAS-GOSISDBHSA-N 354.414 0.798 0 40 FCAB Cc1cc(OCC2CCN(S(=O)(=O)c3nccn3C)CC2)ncn1 1565520857 VWEIHBGCJSEJQD-UHFFFAOYSA-N 351.432 0.998 0 40 FCAB CC(C)[C@H](N)C(=O)N[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C 1689685 OJKHWKUUKANMMH-KBPBESRZSA-N 370.475 0.397 0 40 FCAB O=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc2[nH]c(=O)[nH]c2c1 2615861 RCELSRWTGLWNDA-UHFFFAOYSA-N 358.310 0.361 0 40 FCAB Cc1ccc(OCCOC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4825749 HNPLATMFORZIDP-UHFFFAOYSA-N 372.381 0.364 0 40 FCAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O 4899696 PSEXQIHRIIHENX-DCAQKATOSA-N 357.407 0.480 0 40 FCAB COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 7349478 RAYHFKZRIBVLJI-CYBMUJFWSA-N 356.444 0.781 0 40 FCAB O=C(COC(=O)c1ccc(-n2cnnn2)cc1)NC(=O)Cc1ccccc1 7787068 KVIIVDOSPAYODC-UHFFFAOYSA-N 365.349 0.705 0 40 FCAB CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)O)C(=O)[C@H]1CCCCN21 9740427 HYMBIMOYMUAZNF-CYBMUJFWSA-N 367.427 0.727 0 40 FCAB COC(=O)[C@](O)(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C(F)(F)F 12417384 RTCIFQBAWIGGPG-CQSZACIVSA-N 373.287 0.090 0 40 FCAB Cn1nnc2c(N3CCN(S(=O)(=O)c4cccs4)CC3)ncnc21 13534405 JUGYAAHLMJLHNW-UHFFFAOYSA-N 365.444 0.331 0 40 FCAB O=C1CCC(=O)N1CCS(=O)(=O)NCc1ccccc1-n1ccnc1 19349556 JJNZYSDFKUVEGX-UHFFFAOYSA-N 362.411 0.441 0 40 FCAB C[C@H](NC(=O)CN1CCN(CC(=O)NC2CC2)CC1)c1cccs1 20952328 QJETXJWHUHREKD-ZDUSSCGKSA-N 350.488 0.822 0 40 FCAB CCOC(=O)C1=C(COC(=O)c2n[nH]c(=O)c3ccccc23)NC(=O)NC1 24829149 LKRUPEPWAORWNP-UHFFFAOYSA-N 372.337 0.210 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)CC1 25359594 RCDWZVKSZWBVSI-QGZVFWFLSA-N 365.499 0.797 0 40 FCAB O=C(CCCc1cccs1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 32924822 XGNFGQSBUZJDAU-LBPRGKRZSA-N 358.485 0.880 0 40 FCAB O=C(NCC(F)(F)F)c1ccccc1S(=O)(=O)N1CCOCC1 32979368 NJVXYCWJHZIODN-UHFFFAOYSA-N 352.334 1.000 0 40 FCAB COC(=O)c1ccc(F)c(NCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 36717573 RWSNXAMRWGVSQC-LLVKDONJSA-N 358.391 0.670 0 40 FCAB NC(=O)c1c(NC(=O)CN2CCN(CCO)CC2)sc2c1CCCC2 40287575 FEORMIGSVWTIQR-UHFFFAOYSA-N 366.487 0.274 0 40 FCAB C[C@@H](Cn1cccn1)NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 48355263 SKIGPVGMOMCEDN-LBPRGKRZSA-N 353.382 0.659 0 40 FCAB CNS(=O)(=O)c1ccc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)o1 62580593 BQLQVKXEDYSBHP-CYBMUJFWSA-N 371.459 0.515 0 40 FCAB Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)CN3CCOCC3)CC2=O)cc1 89633406 SCKQFGNNQNBYQF-DOTOQJQBSA-N 361.442 0.157 0 40 FCAB Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cn(C)c(=O)n(C)c3=O)C2)n1 91686429 WRFFMRDPCGHWKF-CQSZACIVSA-N 371.441 0.638 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95476809 MNVDTNIHXCKMST-WDEREUQCSA-N 362.411 0.219 0 40 FCAB Cn1ccnc1CN1CCOC[C@@]2(C[C@@H](CNc3cnccn3)CO2)C1 107795278 WBXSBKPKHYSSKU-MAUKXSAKSA-N 358.446 0.930 0 40 FCAB O=C(COc1ccc(F)cc1)N1CCN(C2CCS(=O)(=O)CC2)CC1 225810988 JJGCWVHDEMRBAE-UHFFFAOYSA-N 370.446 0.926 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)C[C@H](CC(=O)O)c2ccccc2)CC1 226750005 IYEOYTMLMIHNOO-CQSZACIVSA-N 354.428 0.739 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1cc[nH]n1)CC2 306132979 LYAMIRWNSNXJNF-GFCCVEGCSA-N 356.448 0.170 0 40 FCAB Cc1csc2ncc(C(=O)N3CCNC[C@@H]3c3nccn3C)c(=O)n12 567671844 LIZLUIQEILXTTK-GFCCVEGCSA-N 358.427 0.585 0 40 FCAB Cc1cncc(C(=O)N2CC3(C2)CN(C)[C@@H](C(=O)NC2CCCC2)CO3)c1 575405972 LOWDCAKDGNVAPY-QGZVFWFLSA-N 372.469 0.974 0 40 FCAB COc1ccc(S(=O)(=O)N(CCN)[C@@]2(C)CCS(=O)(=O)C2)cc1 575424520 AWVLYLRVYVAJRJ-AWEZNQCLSA-N 362.473 0.222 0 40 FCAB CCOC(=O)c1ccccc1NC(=O)CN1CCC[C@@](O)(CC(N)=O)C1 591646092 VSHMXFSUAPIBLD-GOSISDBHSA-N 363.414 0.504 0 40 FCAB CN(C)[C@H]1CN(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)C[C@@H]1O 663524632 ULDWCVYKZADVQS-QWRGUYRKSA-N 372.351 0.564 0 40 FCAB C[C@](CO)(c1ccc(Br)cc1)N1CCN(CC(N)=O)CC1 1616032997 YRSZHTGQJUZVKV-HNNXBMFYSA-N 356.264 0.760 0 40 FCAB O=C(CN1CCO[C@H](C(=O)N2CCSCC2)C1)NCc1ccccc1 1888929341 LREWPBDZISCXRH-INIZCTEOSA-N 363.483 0.579 0 40 FCAB CCn1cc(C(=O)N2CCO[C@@]3(COCC(=O)N(C(C)C)C3)C2)cn1 2037985006 UTSPLECPLJMXHT-KRWDZBQOSA-N 350.419 0.381 0 40 FCAB Cn1cnc(S(=O)(=O)N2CCO[C@H]3[C@@H]2CC[C@@H]3Cn2cccn2)c1 2055719449 GIVOZNOGDDAADB-VNHYZAJKSA-N 351.432 0.485 0 40 FCAB COCCNC(=O)C1(Nc2ccccc2)CCN(CC(=O)N(C)C)CC1 2055759383 SCYJRZAVWNWZGV-UHFFFAOYSA-N 362.474 0.784 0 40 FCAB O[C@H](c1nc2ccccc2[nH]1)[C@@H](O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 3832749 UGRBLAMMQLLLQF-VGWMRTNUSA-N 354.366 0.928 0 40 FCAB in-vitro COc1cccc(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 4162158 OBBBJJNJWMIYAL-UHFFFAOYSA-N 374.422 0.954 0 40 FCAB CCOC(=O)N1CCC(NS(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC1 6800546 KKWVLFCXBQLRFG-UHFFFAOYSA-N 373.431 0.711 0 40 FCAB CCOC(=O)C(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OCC 9725723 WZNZESFMTABTGX-UHFFFAOYSA-N 369.370 0.937 0 40 FCAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCC(NS(C)(=O)=O)CC1 10417842 ZLIRXOWDTCQCNF-UHFFFAOYSA-N 363.443 0.730 0 40 FCAB C[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCO2 10993521 YKEVUIUXRGYAQG-NXEZZACHSA-N 355.368 0.720 0 40 FCAB COc1ccccc1N(CCNCCCN1CCOCC1)S(C)(=O)=O 11117781 ZFPDZIGCFZVXOL-UHFFFAOYSA-N 371.503 0.773 0 40 FCAB O=C1CN(C(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CCN1 12185196 XTULEOJPECGBEB-XBEYBXDOSA-N 369.421 0.900 0 40 FCAB CCN(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 14142020 AGDKPWJGZYJNHE-CABCVRRESA-N 365.455 0.616 0 40 FCAB COc1cccc(N2C(=O)[C@H]3NN=C(C(=O)OC[C@H]4CCCO4)[C@H]3C2=O)c1 16040552 JFSNGQDCCGHJFF-RDBSUJKOSA-N 373.365 0.235 0 40 FCAB biogenic CC(C)(C)NC(=O)CN1CCCN(CCN2C(=O)NC(C)(C)C2=O)CC1 45736078 JYGODSVDFQPJMP-UHFFFAOYSA-N 367.494 0.239 0 40 FCAB COc1ccc(N2C(=O)[C@@H](CCSC)NC2=S)cc1OCC(N)=O 55179015 VXQCBHQPWIJPQV-SNVBAGLBSA-N 369.468 0.902 0 40 FCAB O=C(C[C@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc(Cl)nc1 72406486 NCVHNNCNPJOBHE-GFCCVEGCSA-N 370.837 0.374 0 40 FCAB C[C@H](C(=O)NCCNC(=O)C1CCCCC1)N(C)c1nccn2cnnc12 95432827 QDOIAAYVTXXZMJ-CYBMUJFWSA-N 373.461 0.762 0 40 FCAB CS(=O)(=O)CC(=O)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 96108185 ZIEYYGVOJNTENQ-GXTWGEPZSA-N 358.485 0.452 0 40 FCAB Fc1cnc(N2CC[C@@]3(COCc4cnc(N5CCOCC5)nc43)C2)nc1 96244155 XOJMHLFZJLBERC-SFHVURJKSA-N 372.404 0.921 0 40 FCAB O=C(NCc1nnc2ccccn12)[C@H]1COCC(=O)N1Cc1ccccc1 109049984 DEIVCVDMYRPGOQ-OAHLLOKOSA-N 365.393 0.773 0 40 FCAB Cc1ccc(CN(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1 223770620 JIZMQTQNFSGSFX-UHFFFAOYSA-N 353.488 0.967 0 40 FCAB O=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1ccc(F)cc1 224222012 OQZQHXABSPAZGV-UHFFFAOYSA-N 352.391 0.931 0 40 FCAB CN1CCC(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)CC1 224254513 XRJUIRFMQXNWLQ-UHFFFAOYSA-N 357.451 0.798 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2ccnn2C)CCN1CCc1ccccc1 257239441 HPGROADKUVTXHZ-KRWDZBQOSA-N 355.442 0.535 0 40 FCAB O=C1CN([C@@H]2CC[C@@H](NC(=O)Cc3ccc4c(c3)CCC4)[C@H]2O)CCN1 257286695 PMPORMBELSVCCP-MBOZVWFJSA-N 357.454 0.158 0 40 FCAB Cc1nc(S(=O)(=O)N[C@@H](CC(=O)c2cccs2)C(=O)O)cn1C 274921827 BKBKWUYEHHRCTR-VIFPVBQESA-N 357.413 0.795 0 40 FCAB COc1ncccc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccnn3C)[C@H]2C1 306137158 QMYAHCPDNVHQIO-ZMSDIMECSA-N 371.441 0.701 0 40 FCAB CC(=O)N1CCN(C[C@@H]2OC[C@H](NC3CCC(F)(F)CC3)[C@H]2O)CC1 514288923 LKSKSWKEOXAMCM-HRCADAONSA-N 361.433 0.446 0 40 FCAB biogenic,in-vitro CSCC[C@@H](NC(C)=O)C(=O)NCc1nc(-c2cnn(C)c2)no1 575616956 OQQTXHWCHUCYQX-LLVKDONJSA-N 352.420 0.344 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NCc2cn(-c3ccsc3)nn2)C1=O 575619803 ZCXXDTPKSCUDJE-UHFFFAOYSA-N 370.416 0.236 0 40 FCAB CC(C)n1cc(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)nn1 585084365 IPVDBOGVEWZZDD-UHFFFAOYSA-N 354.436 0.495 0 40 FCAB CC(C)(C)OC(=O)COc1ccc(C(=O)Nc2nnc3nc[nH]n23)cc1 597663457 MTTNBDRXARRVIK-UHFFFAOYSA-N 358.358 1.425 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@]2(COCCN(c3nccs3)C2)C1 1565546271 XZFOPNLZWWVWII-CFAJVAMVSA-N 365.455 0.470 0 40 FCAB CN1CCN(C[C@H]2CC[C@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)O2)CC1 1565555089 RDGWMGNNUOHVCO-LMMKCTJWSA-N 367.490 0.047 0 40 FCAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)N1CCCC1 922597 ZMVZHZKRNJOOQK-UHFFFAOYSA-N 374.484 0.617 0 40 FCAB NC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)c1ccco1 3435357 KBTLXMRDYDVFKI-UHFFFAOYSA-N 351.340 0.352 0 40 FCAB COCCNC(=O)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 6739033 VTJPYXBISMNNMP-CHWSQXEVSA-N 369.468 0.743 0 40 FCAB Cc1ccccc1[C@@H](C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 12551923 NICPRRMTWHSDFE-GFCCVEGCSA-N 355.398 0.620 0 40 FCAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc(=O)n(CCOC)n2)cc1 31529390 YKEAOGORLFEUEZ-UHFFFAOYSA-N 358.398 0.522 0 40 FCAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(C(=O)O)cc1 45896121 IUNNBWDEZWFVMO-ZDUSSCGKSA-N 359.342 0.850 0 40 FCAB Cc1cc(C)cc(OCCNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 55526620 DSDGBQSANLMRAT-OAHLLOKOSA-N 354.472 0.917 0 40 FCAB CS(=O)(=O)N1CC(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 70817776 OUFDUEAYIATXDE-UHFFFAOYSA-N 351.472 0.659 0 40 FCAB CC(=O)N1CC(C)(C)Oc2ccc(S(=O)(=O)Nc3nnn[nH]3)cc21 71447282 YZUYCZPMNGJPFC-UHFFFAOYSA-N 352.376 0.524 0 40 FCAB Cn1c(=O)c2ccc(C(=O)NCc3cc(Cl)ccn3)nc2n(C)c1=O 95456377 UKEDRECCBJXHHP-UHFFFAOYSA-N 359.773 0.611 0 40 FCAB CN(CCNS(C)(=O)=O)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 95959158 ZOHNMIKQMJNNLK-AWEZNQCLSA-N 369.443 0.425 0 40 FCAB O=S(=O)(N[C@@H]1CCO[C@]2(CCN(c3ncc(F)cn3)C2)C1)C1CC1 96208149 VVQDMCFQVBJUHZ-IUODEOHRSA-N 356.423 0.825 0 40 FCAB CCN1CCn2c(nn(CC(=O)NCCCc3ccccc3)c2=O)C1=O 98213038 BSMMLPJXSHSVRI-UHFFFAOYSA-N 357.414 0.270 0 40 FCAB COC(C)(C)C(=O)N[C@@H]1CCCC[C@@H](N2CCN(C(C)=O)CC2)[C@@H]1O 257318311 VNJABUCMNSWFPR-BZUAXINKSA-N 355.479 0.364 0 40 FCAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](COC(C)=O)(O4)[C@@H]3C2=O)c1 409276999 YRLBKEPGXZZNSJ-QZNHQWIBSA-N 371.345 0.849 0 40 FCAB CC(C)c1nnc2ccc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)nn12 524733581 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C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 40159415 UZBSKQJZSQINAW-KFWWJZLASA-N 369.425 0.465 0 40 FCAB CN(C)CCNC(=O)c1nn(-c2ccccn2)c2c1CS(=O)(=O)CC2 41070508 IQDDDNXYEHNRSS-UHFFFAOYSA-N 363.443 0.030 0 40 FCAB COCCCNc1ncc(C(=O)OC)cc1S(=O)(=O)N1CCOCC1 47538389 PGOWEIVVZWYUTL-UHFFFAOYSA-N 373.431 0.338 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)Oc1ccc(I)cc1 48675152 GRCKTPOVDAVYKN-UHFFFAOYSA-N 372.118 0.747 0 40 FCAB CS(=O)(=O)N(Cc1ccc(F)cc1)Cc1nc(C(=O)O)cc(=O)[nH]1 49470178 LOKOZXUSUWUBRD-UHFFFAOYSA-N 355.347 0.569 0 40 FCAB CCCC(=O)NCCN(CCNC(=O)CCC)CCN1CCOCC1 75094473 HVFGCEAXPJXOJV-UHFFFAOYSA-N 356.511 0.453 0 40 FCAB CC[C@@](C)(CC(=O)O)NC(=O)c1cccc(S(=O)(=O)NCCOC)c1 95970267 SYOSLYQFJBPKDV-INIZCTEOSA-N 372.443 0.985 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@H]12 100639114 GRWHQLHFLOEFCN-HIFRSBDPSA-N 357.366 0.888 0 40 FCAB CC(C)(C)NC(=O)NC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 102392280 FESUHJKVCNOWSA-GHMZBOCLSA-N 367.402 0.329 0 40 FCAB 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CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 629896544 REUWTDIKTGUZGR-KBUPBQIOSA-N 371.503 0.469 0 40 FCAB CN1CCN(C(=O)[C@@H]2C[C@H]3CN(C(=O)C4CC(F)(F)C4)C[C@H]2O3)CC1 1565548414 BVQMNOPTHGEJTN-BFHYXJOUSA-N 357.401 0.422 0 40 FCAB c1nc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c2c[nH]nc2n1 1889211607 XNSKTTJUMVNQLE-UHFFFAOYSA-N 367.417 0.306 0 40 FCAB Cc1cnc(C(=O)N[C@@H]2CCc3onc(CN4CC[C@@H](O)C4)c3C2)cn1 2055731541 CAMIDNUPUGNDLY-CHWSQXEVSA-N 357.414 0.627 0 40 FCAB O=C1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c2ccccc2N1 7605799 JKESQVZOCLNVBA-UHFFFAOYSA-N 371.374 0.816 0 40 FCAB Cc1cc(C)c(NC(=O)CNC(=O)CN(C)CC(=O)NC2CC2)c(C)c1 8705348 QBWMOWZWDQBXTK-UHFFFAOYSA-N 360.458 0.877 0 40 FCAB CS(=O)(=O)NC1CCN(S(=O)(=O)c2ccsc2C(=O)O)CC1 13016804 HTRQDNZZRMNGOP-UHFFFAOYSA-N 368.458 0.149 0 40 FCAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(C(=O)C2CC2)CC1 14093102 FMCHRIPZZMJOJP-ZDUSSCGKSA-N 356.426 0.914 0 40 FCAB Cc1cc(C)cc(OCCN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 16421646 BHQKFQLMLSHRHE-OAHLLOKOSA-N 354.472 0.917 0 40 FCAB CC(C)[C@H](NC(=O)c1ccnn1C)c1cc(=O)[nH]c(N2CCOCC2)n1 19445545 ZQVZDJWTBNBXTJ-HNNXBMFYSA-N 360.418 0.467 0 40 FCAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)NCCc1ccc(F)cc1 20952141 FAUKEHWKDZLGAH-UHFFFAOYSA-N 362.449 0.381 0 40 FCAB NC(=O)[C@H]1CCCN1C(=O)c1nc(CC(=O)NCc2ccccc2)no1 36357881 LKCLPTGVVPATLK-GFCCVEGCSA-N 357.370 0.018 0 40 FCAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1cn(CCO)c(=O)[nH]c1=O 95451442 VWUFGGQWVAPJEI-GFCCVEGCSA-N 365.386 0.635 0 40 FCAB CN(C)C(=O)COC[C@@H]1CN(CC2CCOCC2)Cc2nnn(C)c21 96086929 NZCZSSYSLBVOKE-AWEZNQCLSA-N 351.451 0.246 0 40 FCAB Cc1ccccc1CNC(=O)N1C[C@H]2O[C@H](C[C@H]2C(=O)NCCN(C)C)C1 96253154 QEIODRNMIQFHME-KZNAEPCWSA-N 374.485 0.972 0 40 FCAB Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3c(C)noc3C)C2=O)n(C)n1 97010021 NFVHYIHVHXOPAR-GFCCVEGCSA-N 367.431 0.807 0 40 FCAB Cc1cc(O)c(-c2ccnc3nc(N4CCOCC4)[nH]c(=O)c23)c(=O)o1 100242454 BAERVKWAQCGMKA-UHFFFAOYSA-N 356.338 0.789 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100745441 NGUJOKJTVRDRLD-RWMBFGLXSA-N 351.428 0.164 0 40 FCAB O=C(c1cccnc1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O 247845286 GTNJZRYLLWUGLL-CQSZACIVSA-N 374.422 0.580 0 40 FCAB CCc1nccn1CCC(=O)NC[C@@]1(O)CCCN(c2cnccn2)C1 257206632 BEHBMMUNDZHMQN-SFHVURJKSA-N 358.446 0.773 0 40 FCAB COCCN1C(=O)C[C@@H](C(=O)NCCCO)[C@@H]1c1ccccc1OC 257324553 WPFVRHDBMXGHNP-PBHICJAKSA-N 350.415 0.730 0 40 FCAB CCS(=O)(=O)NC[C@@H]1CN(c2cc(OC)ncn2)Cc2cncn21 306125458 CRUNWOZHERQMDJ-GFCCVEGCSA-N 352.420 0.182 0 40 FCAB O=C1NCCN1C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147599 FAEIQZDIIYFMBI-UHFFFAOYSA-N 365.415 0.455 0 40 FCAB Cc1cccc(C[C@@]2(CO)CN(S(=O)(=O)c3cn[nH]c3)CCO2)c1 585276739 ICQBVIXXLULKSX-INIZCTEOSA-N 351.428 0.713 0 40 FCAB CC(C)c1nnc2n1C[C@H](NC(=O)N[C@@H]1CCc3c(nnn3C)C1)CC2 654523693 ZCIRSRKLEXVIHA-VXGBXAGGSA-N 358.450 0.702 0 40 FCAB CC(=O)OC[C@H]1OC(S)=C(OC(C)=O)[C@@H](OC(C)=O)[C]1OC(C)=O 1560406284 ZVRZORQOJJHAJF-PWSUYJOCSA-N 361.348 0.637 0 40 FCAB O=C(Cn1cc(Cl)cn1)N1CCCn2c(nnc2Cn2ccnc2)C1 1565555287 WIAOACPNBCXHNW-UHFFFAOYSA-N 360.809 0.805 0 40 FCAB COCCn1cnc2c(N3CCN(c4nccc(OC)n4)CC3)ncnc21 1888903875 KRWSMNVCEGMXFI-UHFFFAOYSA-N 370.417 0.598 0 40 FCAB Cc1ncsc1C(=O)N1CCO[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037985838 XXYJNCANIJBHAV-INIZCTEOSA-N 353.444 0.930 0 40 FCAB COc1ccc(CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4943411 BXADQPPNATUJQC-UHFFFAOYSA-N 371.397 0.149 0 40 FCAB Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n1C 4947733 MAXDCEVTRYGVEV-JTQLQIEISA-N 370.456 0.779 0 40 FCAB C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 5080893 YEXVXKIMPBHRQR-RPFXJPNESA-N 353.415 0.244 0 40 FCAB CC[C@@H](C)N(C(=O)CSc1nc(N)cc(N)n1)[C@H]1CCS(=O)(=O)C1 5229276 LUZTXFJJNGGOEY-ZJUUUORDSA-N 373.504 0.547 0 40 FCAB Cc1c(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)sc2ncn(C)c(=O)c12 9154235 XWEOTIWACRWVLB-QMMMGPOBSA-N 364.383 0.401 0 40 FCAB COc1ccc(OCCNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1 10225207 GCJYKCVHGNDZBC-UHFFFAOYSA-N 369.377 0.894 0 40 FCAB CCNC(=O)N1CC[C@H]2CC(=O)N(CCN3CCNC3=O)CC[C@H]2C1 15673197 KNGGIUHIBXIQKE-KBPBESRZSA-N 351.451 0.302 0 40 FCAB biogenic,in-vitro Cc1cc(=O)nc(-n2nc(C)c(CCC(=O)N3CCN(C)CC3)c2C)[nH]1 16849553 GISMOFVCJPUDFB-UHFFFAOYSA-N 358.446 0.587 0 40 FCAB CS(=O)(=O)N1CCC(CC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)CC1 19748603 ZRZGSVAGTVLKFF-UHFFFAOYSA-N 366.443 0.534 0 40 FCAB Cc1ccccc1C(=O)NCCC(=O)N1CCCN(S(C)(=O)=O)CC1 24779139 BWTRBAMABUSECU-UHFFFAOYSA-N 367.471 0.609 0 40 FCAB C[C@@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)N1CCNC1=O 25118191 PJSPRRYSQGPYLP-GFCCVEGCSA-N 359.382 0.839 0 40 FCAB COc1ccc(CNC(=O)[C@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 36358528 PMCUCCIJXYGTTE-AAEUAGOBSA-N 369.443 0.186 0 40 FCAB O=C1C[C@H](c2ccccc2OCC(=O)N2CCOCC2)N2N=CNC2=N1 38304061 OQCVEBUHQKWICB-CYBMUJFWSA-N 357.370 0.100 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCN(CC(F)(F)F)CC1 47431103 DQHRNOWGOAVUGE-UHFFFAOYSA-N 370.331 0.396 0 40 FCAB CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 57268646 SOODLZHDDSGRKL-FOOXYVKASA-N 353.415 0.244 0 40 FCAB biogenic,in-vitro NC(=O)C1CCN(c2ncc3c(=O)n(C4CCCC4)c(O)nc3n2)CC1 75165675 PPHRWDGVJSMPTG-UHFFFAOYSA-N 358.402 0.709 0 40 FCAB CC(=O)O[C@@]1(C)[C@@H](C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 86053359 ZVBPCOQJPAOXMI-HMEHDPIBSA-N 367.398 0.178 0 40 FCAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 95478724 WFYONBPGFFCOAF-OLZOCXBDSA-N 372.516 0.930 0 40 FCAB O=C(c1cnn2cccnc12)N1CCO[C@@]2(COCCN(CC3CC3)C2)C1 96076633 OIZTUKHWGJKGLH-LJQANCHMSA-N 371.441 0.683 0 40 FCAB COC[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)N1S(C)(=O)=O 96209533 LMLBVMCLUPUIGE-HNNXBMFYSA-N 356.492 0.825 0 40 FCAB CC(=O)N1CCN(CCS(=O)(=O)c2ccccc2)[C@H](C(=O)N(C)C)C1 257259467 KYNNGSBLRFRZDT-INIZCTEOSA-N 367.471 0.081 0 40 FCAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 298093613 NXLFJABFUHBQKD-IYVPYFHTSA-N 354.362 0.975 0 40 FCAB Cn1cc(CN2CC[C@]3(CCn4ncnc4[C@H]3NC(=O)C3CC3)C2)cn1 306124778 BZHFUKZXAYUEQR-QAPCUYQASA-N 355.446 0.875 0 40 FCAB CC(C)c1ccc(S(=O)(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1 575421576 RHGFPISGXPRDDO-AWEZNQCLSA-N 361.485 0.980 0 40 FCAB CC(=O)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)Nc1ccc(F)cc1)C2 604381867 SEYGEEBEPPFKNE-MRXNPFEDSA-N 362.405 0.975 0 40 FCAB biogenic,in-vitro NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(O)ncnc3c2)cc1 1135370598 YOERHWVYSNQNFY-UHFFFAOYSA-N 372.406 0.955 0 40 FCAB COCc1nc2n(n1)C[C@H](NC(=O)N1CC[S@@](=O)C(C)(C)CC1)CC2 1230165381 YJOOCHZJLFKGET-XELLLNAOSA-N 369.491 0.682 0 40 FCAB CN([C@@H]1CCCN(c2ncnc3ncn(C)c23)C1)S(=O)(=O)C1CC1 1888856709 CSSOYJQAKWMGAD-LLVKDONJSA-N 350.448 0.756 0 40 FCAB CCS(=O)(=O)CCN1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772195 GRXNSCKQFDLNHT-UHFFFAOYSA-N 354.476 0.341 0 40 FCAB O=C(Cn1ccnn1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055773016 KQOYBNOCSXKIDQ-UHFFFAOYSA-N 357.418 0.019 0 40 FCAB CN(C)c1ccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 3521006 KWRRYHJZAQQYHZ-CQSZACIVSA-N 354.428 0.555 0 40 FCAB Cc1c(NC(=O)CN(C)CC(=O)N(C)C)c(=O)n(-c2ccccc2)n1C 8394229 NFZILIKRWDGGCF-UHFFFAOYSA-N 359.430 0.443 0 40 FCAB Cc1cc(OCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)no1 8777327 PVGKJHMDTYBGOQ-UHFFFAOYSA-N 371.440 0.956 0 40 FCAB O=C(NCCOCCO)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421231 VPVPWQBKGHCHJQ-JTQLQIEISA-N 368.825 0.348 0 40 FCAB CCN(CC)[C@@H]1[C@@H](O)[C@H](NCc2ccc3c(c2)OCO3)[C@H]2CO[C@@H]1O2 12483634 OBXINIZUQJRJAV-HSFUPAIVSA-N 350.415 0.700 0 40 FCAB biogenic,in-vitro Cc1ccc(C)c([C@H](C)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 12540103 HCFIDTRMXPXVGC-ZDUSSCGKSA-N 369.425 0.928 0 40 FCAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(=O)NC(C)(C)C)C2=O)cc1 12615408 QVJOBJWIQLGYRU-IBGZPJMESA-N 374.441 0.793 0 40 FCAB O=C(CCNC(=O)Cc1n[nH]c(=O)c2ccccc12)NCc1ccncc1 13687882 PKYZCMGYAXZXGV-UHFFFAOYSA-N 365.393 0.683 0 40 FCAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3nnn(OCC(N)=O)c3c2)C1 24983580 GBMVCOHKONCAJU-QWRGUYRKSA-N 367.431 0.012 0 40 FCAB CC(=O)c1cn(CC(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc12 32069473 ALWSSKGHDSGUSV-UHFFFAOYSA-N 363.439 0.948 0 40 FCAB CCOc1ccc(OCCOC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 32831362 QWCHAWRZWATONQ-UHFFFAOYSA-N 372.443 0.923 0 40 FCAB CCNC(=O)[C@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)CC)CC2)C1 57990690 HHJYDOURWLHNLU-ZDUSSCGKSA-N 374.507 0.358 0 40 FCAB Nc1nc(N)nc(Cn2c(-c3cccc(Br)c3)noc2=O)n1 58367458 NKKOUXSFZSHPQB-UHFFFAOYSA-N 364.163 0.664 0 40 FCAB CCNC(=O)N1CC[C@H](NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)C1 84791018 SBGVRLSGXWJKEC-NWDGAFQWSA-N 356.492 0.854 0 40 FCAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)N1CCN(S(C)(=O)=O)C1=O 225601445 AJUWSPOHLCXHKL-LLVKDONJSA-N 367.427 0.959 0 40 FCAB CNC(=O)C[C@@]1(O)COCCN(C(=O)C2(c3ccccc3F)CC2)C1 585280132 AZSGQOSECHVBGK-KRWDZBQOSA-N 350.390 0.583 0 40 FCAB COCCOc1ccc(CNC(=O)CN2CCCC[C@@H](O)C2=O)cc1 644308263 PAMFWNBYOHRMLD-MRXNPFEDSA-N 350.415 0.701 0 40 FCAB CC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)[C@@H](C)CO1 650699589 FFWOJWIHEDHTKO-AAEUAGOBSA-N 370.427 0.689 0 40 FCAB Cn1c(=O)oc2ccc(S(=O)(=O)NCC3(OCCO)CCCC3)cc21 888107152 SBOJNGJYHMGLDI-UHFFFAOYSA-N 370.427 0.732 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@@H](NC(=O)c1ccncc1OC)CC2 1565556532 MTQSPLRNHZDFIW-LBPRGKRZSA-N 373.413 0.408 0 40 FCAB CCN1C(=O)C[C@H](C(=O)N2CCN(C(C)=O)CC2)[C@H]1c1nccn1CC 1615547452 FNSPRBRHPXABAY-HOCLYGCPSA-N 361.446 0.503 0 40 FCAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 868999 LXEMMRVSKNIZST-UHFFFAOYSA-N 370.408 0.906 0 40 FCAB CN(C(=O)COC(=O)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 6169348 MTZMYIIBBDTDTP-LBPRGKRZSA-N 369.395 0.260 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCN2C(=O)CSC2=O)cc1 6787604 WYDRPFYKMIKZTO-UHFFFAOYSA-N 371.440 0.362 0 40 FCAB O=C(NC1=NCCS1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 8157077 RAOOSUAVQAFKBU-NSHDSACASA-N 364.452 0.819 0 40 FCAB O=C(C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O)Nc1ccccc1 8624515 FPNPDSUCOJRWAT-OGWHTMIXSA-N 370.405 0.934 0 40 FCAB biogenic,in-vitro COc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O 11694144 VSBXNAPXHZPGKN-UHFFFAOYSA-N 353.400 0.366 0 40 FCAB Cn1c(=O)c2c(nc(NCCCO)n2CCc2ccccc2)n(C)c1=O 13116415 HQJJNDKTTCRBSZ-UHFFFAOYSA-N 357.414 0.471 0 40 FCAB CCCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 14251079 AXVMXWOFBIBBAJ-MLGOLLRUSA-N 371.459 0.133 0 40 FCAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NC1CC1 15587187 SWXQSSJGYJEQAX-UHFFFAOYSA-N 365.455 0.578 0 40 FCAB CC(C)N1C[C@@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1=O 19659503 ASUSCWQDYSUCAJ-AWEZNQCLSA-N 367.471 0.810 0 40 FCAB O=C(c1ccc(CS(=O)(=O)N2CCOCC2)cc1)N1CCOCC1 30757113 VMNGAIBCEDJWGW-UHFFFAOYSA-N 354.428 0.321 0 40 FCAB NC(=O)c1ccc(NS(=O)(=O)CC2=NC(=O)n3cccc3C2=O)cc1 32611918 PYHFXHXBAOTFEB-UHFFFAOYSA-N 360.351 0.634 0 40 FCAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc1 32689174 KQPPVCUXPSLXKA-UHFFFAOYSA-N 358.354 0.280 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 41839727 QCQWEMNCGCKWMM-UHFFFAOYSA-N 365.415 0.168 0 40 FCAB C[C@]1(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)CCS(=O)(=O)C1 57442727 IEHHARRGPIVJCR-KRWDZBQOSA-N 369.462 0.641 0 40 FCAB O=C(c1ccc(N2CCOCC2)nc1)N1CCN(C[C@H]2CCCO2)CC1 58431293 HFYYILNNMNTZPV-QGZVFWFLSA-N 360.458 0.855 0 40 FCAB NC(=O)[C@H](OC(=O)CCn1nnc2ccccc2c1=O)C1CCOCC1 72313501 RVZSTWYHRDMPDO-OAHLLOKOSA-N 360.370 0.005 0 40 FCAB CN(C)CCNC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CCNCC1 72394743 WLXGVWUIQNIXLN-CQSZACIVSA-N 350.463 0.769 0 40 FCAB Cc1noc(C)c1CNS(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1 89529378 JNXAZFYRITYKJE-UHFFFAOYSA-N 370.475 0.960 0 40 FCAB CC(C)(C)NC(=O)CN1CCN(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 95356699 NPFGODGCSXQDCN-GJZGRUSLSA-N 364.490 0.651 0 40 FCAB COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(N2CCOCC2)cc1 95957035 HDZCUFAGGTZOMO-GFCCVEGCSA-N 350.371 0.358 0 40 FCAB COc1cc(N2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)ncn1 96209892 ZWUMVTRTEPIBRY-FZKQIMNGSA-N 355.398 0.902 0 40 FCAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5C=C43)[C@@H]2C1=O 101025397 DZZSDUMZGMILBC-FERBUSJMSA-N 364.404 0.630 0 40 FCAB NC(=O)c1cnc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 102397473 LLJLWMRECVZYDL-DTORHVGOSA-N 350.400 0.746 0 40 FCAB O=S(=O)(NCc1nccc(N2CCOCC2)n1)c1cccc(F)c1 224174749 TVYWBFXSOBTIHW-UHFFFAOYSA-N 352.391 0.931 0 40 FCAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1 408610039 UNLYTXAPVOFGLB-UHFFFAOYSA-N 353.444 0.251 0 40 FCAB O=S1(=O)CC[C@@H](N(CCO)S(=O)(=O)c2ccc(Cl)cc2)C1 575423595 GOFWXRSGPBVSFL-LLVKDONJSA-N 353.849 0.510 0 40 FCAB C[C@H]1C[C@@H](C)[C@H](CN)CN1C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 584285864 ASLMSWBRMVQNJM-GRYCIOLGSA-N 361.446 0.021 0 40 FCAB CC(C)CCN1CCC[C@]2(CC(C(=O)NCCN3CCNC3=O)=NO2)C1 585101229 PFWHZAQRTGYLMI-SFHVURJKSA-N 365.478 0.785 0 40 FCAB O=C(c1csnn1)N1CC[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 1565551894 LZNMMKXLPYCRHF-STQMWFEESA-N 360.399 0.084 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@H](NC(=O)c1csc(C)n1)CC2 1614941092 LDBPBDQDYCFAPO-LLVKDONJSA-N 363.443 0.769 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)C5CC5)C[C@@H]4C3)nn12 1888888426 AFXKEWXIUYGNKW-RYUDHWBXSA-N 362.459 0.547 0 40 FCAB COc1nc(OC)nc(N2CC(Cn3cc(Br)cn3)C2)n1 1889108059 TWXUQZYUCJJWDW-UHFFFAOYSA-N 355.196 0.984 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)CCC2CCCCC2)c(=O)n(C)c1=O 3359217 OHRWHRBQBWVESB-UHFFFAOYSA-N 351.403 0.753 0 40 FCAB Cc1nnc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)s1 6465587 BCRWVDSWOXKWDH-UHFFFAOYSA-N 352.445 0.776 0 40 FCAB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)NC1=S 8110151 PHZDDVUZAGRPMS-YHYXMXQVSA-N 366.395 0.943 0 40 FCAB CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 8939767 XXEGZIFBFGHLFW-SNVBAGLBSA-N 355.821 0.506 0 40 FCAB in-vitro CN1C[C@@H](NC(=O)c2cncnc2)C[C@H]1c1nc(-c2cnccn2)no1 12529708 ZLANSFAEGUVFHM-AAEUAGOBSA-N 352.358 0.492 0 40 FCAB biogenic,in-vitro Cc1cc(Cl)ccc1N(CC(=O)N1CCN(C=O)CC1)S(C)(=O)=O 13668390 YZVMCNOGZVEIGJ-UHFFFAOYSA-N 373.862 0.715 0 40 FCAB NC(=O)CCS(=O)(=O)CCN1CCN(c2ccccc2Cl)CC1 16480641 KCECULMILVPHIL-UHFFFAOYSA-N 359.879 0.752 0 40 FCAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3ccc[nH]3)o2)C1=O 18368008 QZDGNKXOIPBKSW-AWEZNQCLSA-N 364.387 0.909 0 40 FCAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NC1CCC1 19346642 BXEHPPQYPZLDDF-GOSISDBHSA-N 357.414 0.614 0 40 FCAB CON(C)C(=O)CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 19578683 CNLCIZSILUTRIW-UHFFFAOYSA-N 354.432 0.202 0 40 FCAB CCNC(=S)N1CCN(c2nc3c(C)nn(C)c3c(=O)n2CC)CC1 28559078 TVIGPKPPVNJHAE-UHFFFAOYSA-N 363.491 0.475 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccccc1F 32824083 NDCQCLIJNXBMGH-LLVKDONJSA-N 350.437 0.918 0 40 FCAB Cn1nc(C(=O)NCC2CCCC2)cc1OCC(=O)N1CCOCC1 57312538 ASLZBXZXWMYWLG-UHFFFAOYSA-N 350.419 0.578 0 40 FCAB O=C1CCCN1c1ccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 57994958 BVWOPJDKUPFJGE-LBPRGKRZSA-N 372.468 0.526 0 40 FCAB O=S(=O)(Nc1ccccc1)C1CN(S(=O)(=O)c2cccnc2)C1 96005069 NTYOKXFVVIPRAZ-UHFFFAOYSA-N 353.425 0.896 0 40 FCAB COCCN(C)C(=O)c1nc2c(n1C)CCN(C(=O)c1ccccn1)C2 96147105 OCLWZUJVWQHZEW-UHFFFAOYSA-N 357.414 0.732 0 40 FCAB CS(=O)(=O)N[C@@H]1COCCC12CCN(C(=O)c1cnccn1)CC2 96219200 QMYFNSJVYILEFG-CYBMUJFWSA-N 354.432 0.037 0 40 FCAB O=C(O)c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)NCCCO)c1 217462626 KNJHZUNKUVUVAU-LBPRGKRZSA-N 358.416 0.636 0 40 FCAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCN(C(C)=O)C3)nc2NC)C1 257270864 MVYXDKHCXXKSMZ-GFCCVEGCSA-N 367.475 0.562 0 40 FCAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3cc(C)on3)CC2)OC[C@]1(C)O 257276775 NVASELIZKGZUEK-HOCLYGCPSA-N 351.403 0.634 0 40 FCAB CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)c3cccn3C)C2)ncn1 257291162 QFYBXNOVFZEMPE-GOSISDBHSA-N 358.446 0.642 0 40 FCAB Nc1nc(N)c2c(n1)O[C@]1(COCCN(Cc3ccc(C(=O)O)cc3)C1)C2 257304185 SKKRMMQHUJPDJB-GOSISDBHSA-N 371.397 0.545 0 40 FCAB COc1ccc(CCNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1F 265338107 XRGGHXSJTVZYOB-GFCCVEGCSA-N 359.423 0.710 0 40 FCAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c3c1CCC3)C2 306125117 CHRPIQNMBYMUKH-NSHDSACASA-N 353.444 0.564 0 40 FCAB Cn1cccc1C(=O)N1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1 306133958 NAGGNTROCDAPPG-KBPBESRZSA-N 369.425 0.413 0 40 FCAB COCCCNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704619 QOTFBUIJPBUPCK-GFCCVEGCSA-N 372.443 0.765 0 40 FCAB Cc1cn2nc(N[C@H]3CCN(C(=O)CCc4ccnn4C)C3)ccc2n1 583002655 RSPHKGCKLBKKMB-AWEZNQCLSA-N 353.430 1.417 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)n1 585108886 BUHAGYWEDINETB-YUTCNCBUSA-N 356.386 0.468 0 40 FCAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)Cc2ccnn21 585111464 AZTDRYGJTHNUIB-CYBMUJFWSA-N 352.391 0.904 0 40 FCAB CNC(=O)C[C@@]1(COC)CN(C(=O)Cc2cccc(OC)c2)CCO1 585277083 FTFGKAOGAYIWCD-SFHVURJKSA-N 350.415 0.618 0 40 FCAB Cc1ccccc1C[C@]1(CO)CN(C(=O)COc2ncccn2)CCO1 585277211 LBJAFXXSYIBMCE-LJQANCHMSA-N 357.410 0.996 0 40 FCAB CNS(=O)(=O)Nc1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1 647654056 YTSCPCNUAOWISC-UHFFFAOYSA-N 351.388 0.252 0 40 FCAB CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)[C@@H]1n1cccn1 664971199 QUHQCUQIIGISGW-ZQNQSHIBSA-N 370.475 0.867 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1 1152805766 NKVLPHJHBJMEBY-SWLSCSKDSA-N 361.398 0.882 0 40 FCAB Cc1ncnc(C(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)c1C 1565554085 JVMNAFJPODDCIT-UHFFFAOYSA-N 367.417 0.679 0 40 FCAB O=C1CC[C@H](C(=O)N2CCC(COc3ccc4nccn4n3)CC2)CN1 1888846806 UDKFWVLBHITEKR-AWEZNQCLSA-N 357.414 0.873 0 40 FCAB O=C(CN1CCN(c2ccnc(N3CCCC3)n2)CC1)N1CCOCC1 1889114202 YUNAMTQODRBOFI-UHFFFAOYSA-N 360.462 0.058 0 40 FCAB COC(CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1)OC 1409290 WLCPXKAVUSHUOA-UHFFFAOYSA-N 373.413 0.513 0 40 FCAB O=C(COC(=O)COc1ccc2c(c1)CCC2)N[C@H]1CCS(=O)(=O)C1 4439100 ZGZCYMSWEAHBGA-AWEZNQCLSA-N 367.423 0.401 0 40 FCAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NC(=O)c1ccccc1 6354310 FDJSASBXGXOKBG-UHFFFAOYSA-N 366.329 0.782 0 40 FCAB C[C@H]1C[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 6640349 SXWLSOJOHZKEMY-DZGCQCFKSA-N 366.439 0.719 0 40 FCAB CCNC(=O)[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 7648870 MMEXCNHYKPEYJX-JTQLQIEISA-N 369.443 0.390 0 40 FCAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)NC[C@H]2CCCO2)s1 8474521 GQBZMPLYKOELCW-LLVKDONJSA-N 370.431 0.794 0 40 FCAB COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3ccco3)C2)nn1 12184848 GEKFZHUJVHVPIU-ZDUSSCGKSA-N 361.402 0.800 0 40 FCAB CN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 12899704 CMCOIROYZUFTGS-GFCCVEGCSA-N 363.439 0.891 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 16039940 NGUJOKJTVRDRLD-AGIUHOORSA-N 351.428 0.164 0 40 FCAB biogenic CC(=O)Nc1ccc(NC(=O)C[C@H]2SC[C@H](C(=O)O)NC2=O)cc1 20635073 MXPWKHQZGCZBLP-VXGBXAGGSA-N 351.384 0.658 0 40 FCAB Cc1ccc(NS(=O)(=O)CCNC(=O)c2ccc[nH]c2=O)cc1F 36394144 NKUSAEHGTHYMJQ-UHFFFAOYSA-N 353.375 0.994 0 40 FCAB O=C(CNC(=O)c1ccco1)Nc1cccc(CN2C(=O)CNC2=O)c1 36398460 ZEYBSMLSFJHNQI-UHFFFAOYSA-N 356.338 0.700 0 40 FCAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H]3CCCCNC3=O)ccc21 45741427 XJDFKKYRRQUUEV-HNNXBMFYSA-N 365.455 0.933 0 40 FCAB CCOC(=O)c1ccc(NCCC(=O)N[C@H]2CCS(=O)(=O)C2)nc1 52075988 VUYIWBAYFBSMOU-LBPRGKRZSA-N 355.416 0.364 0 40 FCAB Cc1nc(-c2ccc(N3CCN(C(=O)[C@@H]4CCC(=O)N4)CC3)nc2)no1 85436344 VXKVNNIUMHXKQR-ZDUSSCGKSA-N 356.386 0.367 0 40 FCAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)C3CCOCC3)CC2)O1 96062629 IDAWTIGIROWVFO-AWEZNQCLSA-N 362.430 0.272 0 40 FCAB CC(C)CN1C[C@@]23CN(C(=O)c4ccnnc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146097 LPEPWXVCPDIMSG-YCPHGPKFSA-N 366.443 0.130 0 40 FCAB CCOC(=O)N1CCC(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)CC1 100918017 LAQBVXSPDDEIAL-SFDCBXKLSA-N 350.371 0.474 0 40 FCAB O[C@H]1[C@@H](O)[C@@H](OC[C@@H]2C=CC=CC2)[C@H](O)[C@@H](O)[C@@H]1OCc1ccccc1 103641806 FHSZJZFBQDKOFJ-JLPZLSSXSA-N 362.422 0.547 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257242952 IEWWZIZZGMGRSP-CQSZACIVSA-N 359.430 0.793 0 40 FCAB CN(CCO)[C@H]1[C@H](NC(=O)c2ncc[nH]2)C[C@@H](Oc2ccccc2)[C@@H]1O 257290604 QDOGWJKNDMAWIG-WCVJEAGWSA-N 360.414 0.013 0 40 FCAB CCOC(=O)C1=CNCCNC=C(C(=O)OCC)C(C)=NCCN=C1C 367762263 GXINZBWOYMAMNA-UHFFFAOYSA-N 364.446 0.995 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCCn2cc(-c3ccoc3)cn2)CC1 575616181 XNBCBKFBWXPHEH-UHFFFAOYSA-N 366.443 0.931 0 40 FCAB CN(CCO)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)CC[C@H]1O 585290410 QZAKVCKZQNSFJU-WBVHZDCISA-N 356.850 0.131 0 40 FCAB CO[C@@H]1CN(C(=O)Cn2c(=O)n(C)c3ccccc32)C[C@H]1c1cnn[nH]1 622169526 PBGDMVQTHHBGGO-XHDPSFHLSA-N 356.386 0.099 0 40 FCAB O=C(Cn1ncn2nccc2c1=O)N[C@H]1CCCN(CC(F)(F)F)C1 1117533478 BVHFMKYCWNIIHP-JTQLQIEISA-N 358.324 0.034 0 40 FCAB CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 1616028939 MDLMZHYVYUNDMD-RRFJBIMHSA-N 358.485 0.886 0 40 FCAB COc1ccnc(N2C[C@@H]3CN(c4ncnc5c4cnn5C)C[C@@H]3C2)n1 1888879204 MYMOJYDGHLXTPV-TXEJJXNPSA-N 352.402 0.735 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)CCCC(=O)N2CCOCC2)cc1 864254 MMCMOLULQZCCTO-UHFFFAOYSA-N 355.416 0.302 0 40 FCAB CC(=O)N[C@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@H]1OCc1ccccc1 1464263 BBFJZZWRXVVKEC-DRRXZNNHSA-N 351.399 0.945 0 40 FCAB biogenic CCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1Cl 3073391 DAWMPVGUZWULKW-SECBINFHSA-N 363.757 0.974 0 40 FCAB COc1ccc(CC(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 3436399 JIINWCJFZSFACQ-CYBMUJFWSA-N 355.412 0.426 0 40 FCAB Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3CCCO)n(C)c1=O 4316644 TYAKUXNURHEKHD-UHFFFAOYSA-N 368.397 0.040 0 40 FCAB CNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 4554258 OKLVQGYJRDIMFJ-LLVKDONJSA-N 359.473 0.544 0 40 FCAB COC(OC)C(=O)N1Cc2cc3c(cc2[C@@H]2C[C@@H](O)[C@@H](O)C[C@H]21)OCO3 5048554 AHOLANIUNQKIMU-DGAVXFQQSA-N 365.382 0.344 0 40 FCAB C[C@@]1(NC(=O)COc2ccc3ccc(=O)oc3c2)CCS(=O)(=O)C1 5221405 OKIAIOZMRSDBJL-MRXNPFEDSA-N 351.380 0.865 0 40 FCAB biogenic CC(=O)Nc1ccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 6347930 XXJDTAKFRJBAHW-CQSZACIVSA-N 368.411 0.447 0 40 FCAB O=C(O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 6645522 AAKPWRIZWQJRRP-NSHDSACASA-N 358.391 0.817 0 40 FCAB C[C@@]1(NC(=O)CCNS(=O)(=O)c2ccccc2)CCS(=O)(=O)C1 8133392 IXLLKWWTNGTEEZ-CQSZACIVSA-N 360.457 0.048 0 40 FCAB COc1ccc(CNCCNC(=O)c2nonc2N)c(OC)c1OC 8473514 PGTIMWPSUHOTFB-UHFFFAOYSA-N 351.363 0.197 0 40 FCAB CN1C(=O)N(C)C(=O)C2(Cc3cc(C=O)ccc3N3CCOC[C@@H]32)C1=O 9344265 MYTCNVIYNPXKDJ-CQSZACIVSA-N 357.366 0.297 0 40 FCAB CCS(=O)(=O)N(CC(=O)NCCN(C)C)c1ccc2c(c1)OCCO2 13612478 CKHKZTQAXRKWOK-UHFFFAOYSA-N 371.459 0.292 0 40 FCAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 14185408 KVDBCAYSRMHPFR-KRWDZBQOSA-N 356.338 0.784 0 40 FCAB COC(=O)CC[C@H](NC(=O)c1ccc(COC(C)=O)cc1)C(=O)OC 14196407 QCWBXNXYWMVXTC-AWEZNQCLSA-N 351.355 0.974 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(N)=O)Cc2ccco2)cc1 15315077 FVPDPBXVRZBNNS-UHFFFAOYSA-N 351.384 0.914 0 40 FCAB O=C(CSc1nc(O)cc(=O)[nH]1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 15958253 ZIMRYGMCZYKLBF-MNOVXSKESA-N 374.422 0.375 0 40 FCAB biogenic CCOCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245281 CEBBJXBWZYSSTP-UHFFFAOYSA-N 361.439 0.981 0 40 FCAB CN(C)CCN(C)[C@@H]1[C@@H](O)[C@H](NCc2ccc(F)cc2)[C@H]2CO[C@@H]1O2 20463955 JAABCQMKOYIOQH-HSFUPAIVSA-N 353.438 0.262 0 40 FCAB biogenic,in-vitro Cc1ccccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O 26535669 FLGAUVFWMDLWHM-UHFFFAOYSA-N 353.444 0.485 0 40 FCAB COC(=O)CN(C(=O)Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 32641281 JQXGVGNZCLKKAX-CYBMUJFWSA-N 355.412 0.426 0 40 FCAB CN(CC(=O)Nc1cccc(OCC(N)=O)c1)c1ncnc2nc[nH]c12 40118680 FXVPQUVWSYAQLP-UHFFFAOYSA-N 355.358 0.292 0 40 FCAB O=C(c1ccc2nsnc2c1)N1CCN(S(=O)(=O)C2CC2)CC1 42383948 YKKMFCFROABUNL-UHFFFAOYSA-N 352.441 0.941 0 40 FCAB Cc1cc(NC(=O)C2CCN(C(=O)CSc3nnnn3C)CC2)no1 49027005 XYKCWHMAGFGEPK-UHFFFAOYSA-N 365.419 0.476 0 40 FCAB CCc1ccccc1Nc1nc(N)nc(CN2CCN(CCO)CC2)n1 57406348 YWVYZHDXRSOZIL-UHFFFAOYSA-N 357.462 0.870 0 40 FCAB CN(Cc1cnn(C)c1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 58282224 ZYPKGJLQLMREHQ-UHFFFAOYSA-N 362.434 0.816 0 40 FCAB O=C(NCc1ccc(-n2cncn2)nc1)c1cnc2sccn2c1=O 58365909 COZBMOIIYSWPRN-UHFFFAOYSA-N 353.367 0.662 0 40 FCAB O=C([C@H]1CCS(=O)(=O)C1)N(CCN1CCOCC1)c1ccccc1 72069190 ONZUGZHKUAGDRW-HNNXBMFYSA-N 352.456 0.787 0 40 FCAB COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1OCC(N)=O 72325346 JVNTUJNAOPRURO-JTQLQIEISA-N 360.366 0.752 0 40 FCAB biogenic O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@@H]1CN1CCOCC1 80908405 JCMXKCMKYMYHNH-MRXNPFEDSA-N 356.430 0.663 0 40 FCAB COc1cc2ncn(CC(=O)NCCc3c[nH]cn3)c(=O)c2cc1OC 96113999 REDQJJBZFHDZRA-UHFFFAOYSA-N 357.370 0.496 0 40 FCAB biogenic COc1cc(N2C[C@@H]3COC[C@]3(CNC(=O)c3cnoc3C)C2)ncn1 96206081 UVLBAFAPULUZSD-PXAZEXFGSA-N 359.386 0.664 0 40 FCAB COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(S(=O)(=O)N(C)C)CC2 96208234 CAWDTBCTDQXYIV-CQSZACIVSA-N 359.492 0.390 0 40 FCAB CN(C)CCNC(=O)[C@@H]1C[C@]2(CO1)CN(C(=O)N(C)C)c1ccccc12 96262886 XMZUCVLCUGVFBG-QFBILLFUSA-N 360.458 0.893 0 40 FCAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)/C=C/c2cccs2)CC1 206765325 CFSIDZFQPXUSPP-SNAWJCMRSA-N 356.469 0.913 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCCN2CCOCC2)c1 225931205 UEQLTSCDOMHOJD-UHFFFAOYSA-N 369.487 0.372 0 40 FCAB COc1ccc([C@@H](CC(=O)N2CCN(C)CC2)NS(C)(=O)=O)cc1 225956914 QMUVGCFOBXZBMY-OAHLLOKOSA-N 355.460 0.450 0 40 FCAB CN(C)C(=O)c1cnn2c(C3CCN(S(C)(=O)=O)CC3)ccnc12 257271442 MYIZWNFYGRGPJS-UHFFFAOYSA-N 351.432 0.570 0 40 FCAB Cc1ncccc1C(=O)N1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 257300562 RUUUPJDSJXCAKO-HOCLYGCPSA-N 353.444 0.391 0 40 FCAB CC1CCN(C(=O)CSc2nnc(CN3CCOCC3)n2C)CC1 408600184 WLUPJFRZGQFSQS-UHFFFAOYSA-N 353.492 0.998 0 40 FCAB O=c1ccc(-n2cncn2)nn1CC1CCN([C@H]2CCCC[C@H]2O)CC1 585501009 VRWQBPWAZWEYMP-JKSUJKDBSA-N 358.446 0.840 0 40 FCAB Cn1ccnc1[C@]1(CNC(=O)c2cc3cnccc3o2)NC(=O)NC1=O 1616035130 MJWDOXYMJXBMBT-INIZCTEOSA-N 354.326 0.026 0 40 FCAB CC(C)N1CCCC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1=O 2037985735 UQWBEJSKJMBKAR-GOSISDBHSA-N 353.463 0.337 0 40 FCAB CCOCC(=O)N1CCC[C@@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055772391 FETOEWXYGAOFHP-CQSZACIVSA-N 362.352 0.916 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ccncc2)CC1 2055782053 DZXBAQGDKJSQCM-UHFFFAOYSA-N 357.414 0.672 0 40 FCAB CC(C)(CN(CCO)CCO)NS(=O)(=O)c1ccc(Cl)cc1 3178804 YGMFAMBFUATDGW-UHFFFAOYSA-N 350.868 0.684 0 40 FCAB COc1ccc(N2C[C@H](NC(=O)NC(C)(C)CO)CC2=O)cc1OC 4479786 MFPNYKRKJWOCRT-LLVKDONJSA-N 351.403 0.879 0 40 FCAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)N1CCOCC1 4999854 LVQPOFPASOBGOA-UHFFFAOYSA-N 369.377 0.663 0 40 FCAB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 6890163 SQOPNCSOKHDYPL-LICLKQGHSA-N 361.379 0.813 0 40 FCAB CSCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O 8429411 YBRLWUJWCNIKSB-GFCCVEGCSA-N 360.457 0.873 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)N2CCc3sccc3C2)n(C)c1=O 9896596 YDESSIFUAPCZRN-UHFFFAOYSA-N 359.411 0.080 0 40 FCAB COc1ccccc1C(=O)NCC(=O)OCC(=O)N1C[C@H](C)O[C@H](C)C1 12532491 MOAUVPGJEKGPEW-BETUJISGSA-N 364.398 0.604 0 40 FCAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1C 13308684 UCHHWZXLNUQEET-LBPRGKRZSA-N 361.441 0.891 0 40 FCAB C[C@@H]1CN(C(=O)CCNC2=NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 14245433 RDPOOSLMUAZKME-VXGBXAGGSA-N 351.428 0.751 0 40 FCAB O=C(c1ccc(O)cc1)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 14246271 UBVNKAUEJMGYHH-UHFFFAOYSA-N 357.366 0.364 0 40 FCAB CCN1C[C@H](C(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)CC1=O 19526962 AZCAIEHFACQDIY-ZIAGYGMSSA-N 357.458 0.697 0 40 FCAB CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccn3nnnc23)cc1 19661803 CXSROFLDDCKUJZ-UHFFFAOYSA-N 360.399 0.305 0 40 FCAB Cc1ccc(S(N)(=O)=O)cc1NC(=O)CSc1nc(N)cc(=O)[nH]1 20036422 ROFGNASZHJTZLR-UHFFFAOYSA-N 369.428 0.039 0 40 FCAB COC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 22251432 BRMLNNJAPITILS-SNVBAGLBSA-N 360.432 0.864 0 40 FCAB CN(C)c1nc(N)nc(COC(=O)c2cccnc2N2CCOCC2)n1 23077012 MNAODZCSIPLTJG-UHFFFAOYSA-N 359.390 0.108 0 40 FCAB Cc1nc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)sc1C 36318488 LLLZTFLDOZFLJE-SNVBAGLBSA-N 370.456 0.864 0 40 FCAB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 36393240 HLHKHRYXSOOIGT-LSDHHAIUSA-N 366.487 0.238 0 40 FCAB CC(=O)c1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)s1 52553584 WRVOEPBQJMCDER-GFCCVEGCSA-N 356.469 0.896 0 40 FCAB CS(=O)(=O)c1snnc1C1CCN(Cc2cnc(N)nc2)CC1 57742368 JEPWDVLJUFENIF-UHFFFAOYSA-N 354.461 0.693 0 40 FCAB CCN(C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[C@H]1CC(O)=NC1=O 58190614 OEENUXGVLKKTSB-LBPRGKRZSA-N 358.354 0.184 0 40 FCAB C[C@@H]1CCN(C(=O)COC(=O)CC[C@@H]2NC(=O)NC2=O)[C@H]2CCCC[C@@H]21 61010504 URNZGWIBBCUDIW-MQYQWHSLSA-N 365.430 0.945 0 40 FCAB O=C(NCc1nnc2n1CCCC2)N1CCC[C@H](CN2CCOCC2)C1 69936509 XMJIPDVITWFJTA-OAHLLOKOSA-N 362.478 0.868 0 40 FCAB CCn1ncc(Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 102616413 TWGHYTJAZCJWAQ-VFWDIBGWSA-N 372.834 0.802 0 40 FCAB C[C@@H]1CN([C@H](C)CNC(=O)N2CCN(c3ncccn3)CC2)C[C@@H](C)O1 106054966 VKMGOJPDLGYVRD-BZUAXINKSA-N 362.478 0.806 0 40 FCAB COCCNC(=O)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247831857 HVKSYAPDCUPKFY-HNNXBMFYSA-N 358.398 0.931 0 40 FCAB CN(C)C(=O)c1cnn2c([C@@H]3CCN(S(=O)(=O)N(C)C)C3)ccnc12 257293601 QQIQTOSHWKLQSV-LLVKDONJSA-N 366.447 0.027 0 40 FCAB Nc1nc(N)c2c(n1)O[C@]1(COCCN(Cc3ccccc3C(=O)O)C1)C2 257304370 SLICOQCNWWUFQG-GOSISDBHSA-N 371.397 0.545 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2nccnc2-c2cncn2C)CC1 257322389 WFTXNNCOZVMWFG-UHFFFAOYSA-N 350.448 0.863 0 40 FCAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)C2CCC2)C3)n1 306136481 PUOMBXLUMUYSPQ-CQSZACIVSA-N 365.455 0.980 0 40 FCAB COC[C@H](C)NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704658 RBASZIKSXZDBRO-NWDGAFQWSA-N 372.443 0.763 0 40 FCAB COC[C@](C)(CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)OC 575611960 JBFOBKVBHVQTMQ-INIZCTEOSA-N 370.427 0.670 0 40 FCAB Cn1cc(CN2Cc3ccnn3[C@H](CCNS(=O)(=O)C3CC3)C2)cn1 585112844 XGKIIQNBDXKROR-OAHLLOKOSA-N 364.475 0.645 0 40 FCAB O=C(Cc1ccc(F)cn1)N1C[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 1565550355 ADQQLMBMWWPMCA-XJKSGUPXSA-N 357.389 0.917 0 40 FCAB CN(C)CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cncnc3)c(=O)n1C2 4237241 WYRDDJXHVWGYKV-UONOGXRCSA-N 353.426 0.813 0 40 FCAB biogenic,in-vitro CCOC(=O)[C@@]1(C(C)C)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](C(C)C)N2C1=O 5201918 ZNPXAUPCGVUBOA-QISBLDNZSA-N 368.430 0.478 0 40 FCAB Cc1nnc(CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)o1 9579907 AIFZCGMTLCPNRY-HNNXBMFYSA-N 354.330 0.321 0 40 FCAB Cc1cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1CCO 10233422 BOXIQLPCAHNMIL-UHFFFAOYSA-N 371.372 0.638 0 40 FCAB CCOC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(OC(F)F)c1 11700381 LDDRIJXAFKJVKE-UHFFFAOYSA-N 374.296 0.834 0 40 FCAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 12916658 MIQGRYRIJPNLQP-UHFFFAOYSA-N 369.424 0.258 0 40 FCAB O=C(CN1C(=O)CNC1=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 12924933 ZVNVPQVJYSWXRI-UHFFFAOYSA-N 373.409 0.563 0 40 FCAB O=C(CN1CCN(c2ccc3nnnn3n2)CC1)Nc1ccccc1Cl 14160744 BVMLNAIPFLZLDP-UHFFFAOYSA-N 372.820 0.933 0 40 FCAB COc1cc(C(=O)NCC(=O)NC[C@H]2CCCO2)cc(OC)c1OC 22620732 JOOZCXULQQTWIU-GFCCVEGCSA-N 352.387 0.737 0 40 FCAB COc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)NC3CC3)CC2)cc1 22932417 UKQCJJWWIDKNLD-CQSZACIVSA-N 360.458 0.918 0 40 FCAB Cc1ccc(NCCNC(=O)CN(C)S(=O)(=O)c2ccccc2)nn1 57790129 YQRZHFDFSQZTSM-UHFFFAOYSA-N 363.443 0.634 0 40 FCAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc[nH]c1=O 58171136 JHRGMBRCUZEWMW-UHFFFAOYSA-N 360.395 0.908 0 40 FCAB Cn1cc(N2CCC[C@@H](N3CCN(Cc4ccnn4C)CC3)C2=O)cn1 95999598 CWLKCJJKOLBXAU-QGZVFWFLSA-N 357.462 0.467 0 40 FCAB Cc1cc(C(=O)N2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)no1 96215743 UMYYMBQFLOHKFB-CYBMUJFWSA-N 357.432 0.544 0 40 FCAB O=C([C@H]1C[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]1O2)N1CCCC1 96253195 HOYAKRHVPSMEKX-VHDGCEQUSA-N 351.428 0.482 0 40 FCAB C/C(=C\C(=O)NCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 96313893 JMVMRPUNJHHTQV-BMGYJQCNSA-N 354.403 0.649 0 40 FCAB Cc1c(C(=O)NCCCN2CCOCC2)cccc1N(C)S(C)(=O)=O 222436350 YNSFKQPTIWFHRK-UHFFFAOYSA-N 369.487 0.843 0 40 FCAB COc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c2cccnc12 223284940 AGWFJLDNLFCDJX-UHFFFAOYSA-N 362.367 0.729 0 40 FCAB CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@]1(C)O)[C@H]23 238741826 SOODLZHDDSGRKL-KGZKIYMESA-N 353.415 0.244 0 40 FCAB biogenic CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ncon3)C2)cc1 238817988 BYCUOABPNGWGCY-GFCCVEGCSA-N 350.400 0.950 0 40 FCAB Cn1c(=O)n(CC(=O)N[C@]2(CO)COc3ccccc3C2)c2ccccc21 529818836 DVWCBCZQVWYPFF-HXUWFJFHSA-N 367.405 0.822 0 40 FCAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc2c(c1)CCCO2 647742576 BFJDSFVJTMUPIV-CYBMUJFWSA-N 353.396 0.264 0 40 FCAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc2c1OCCCO2 653290301 QGVVQTNIMVROTE-NSHDSACASA-N 355.368 0.172 0 40 FCAB CN1C[C@@]2(COCC1=O)CN(C(=O)CCc1ccccc1F)CCO2 2037985600 PHSDBDLWXRWJBE-SFHVURJKSA-N 350.390 0.845 0 40 FCAB CCOCCCNC(=O)c1ncn2c1CC[C@H](C(=O)NCCOC)C2 2055715987 PKLSWWKLYDVQBF-ZDUSSCGKSA-N 352.435 0.365 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1 2055771806 ZYBCTFIZHJAXSB-STQMWFEESA-N 356.469 0.713 0 40 FCAB NC(=O)c1cc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)ccn1 2086847982 LAQDTGMMIJJGOG-ZDUSSCGKSA-N 354.357 0.643 0 40 FCAB CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 4279292 BBFJZZWRXVVKEC-NRKLIOEPSA-N 351.399 0.945 0 40 FCAB O=C(NCCO)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 4941698 WJOYZGOSZDEVFK-UHFFFAOYSA-N 350.375 0.805 0 40 FCAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)O 6645516 AFRGIWICJULDKF-WDEREUQCSA-N 358.391 0.816 0 40 FCAB COc1ccccc1N1C(=O)[C@H]2NN=C(C(=O)c3cnccn3)[C@H]2C1=O 6928299 DCONZDDGNMHKAQ-OCCSQVGLSA-N 351.322 0.185 0 40 FCAB biogenic Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCc2cccs2)n1 9037408 FWDKBQGANLPEIX-UHFFFAOYSA-N 372.410 0.889 0 40 FCAB COC[C@H](C)NC(=S)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 13038571 GGVDMTAOKLMULW-MGPLVRAMSA-N 366.443 0.876 0 40 FCAB O=C(NCCN1CCOCC1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 22664589 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C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nnc(Cl)c(N)n3)CC2)C1 84686255 FPHYZODWAGMOPX-VXGBXAGGSA-N 367.885 0.734 0 40 FCAB O=C(NN1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O)c1ccc(Br)o1 101764265 TWZRJTJYNJRZFB-AJSHEINVSA-N 355.144 0.849 0 40 FCAB O=C(Nc1ncnc2c1ncn2[C@H]1CNC[C@@H](CO)O1)c1ccccc1 137233876 NERNBOZWQFRXNA-QWHCGFSZSA-N 354.370 0.558 0 40 FCAB CNC(=O)C[C@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2ccnn21 247975652 WALVHVYHYGZXTO-ZDUSSCGKSA-N 356.382 0.988 0 40 FCAB CO[C@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@@H](O)[C@H]1CC=CC(=O)O1 253389610 STNNWPKHRBGYMO-BTICWKEHSA-N 356.371 0.674 0 40 FCAB biogenic,in-vitro COCCNC(=O)CN1CCO[C@@H](c2ccc(Nc3ncccn3)cn2)C1 257304933 SNTGPFFFTOXAAK-MRXNPFEDSA-N 372.429 0.751 0 40 FCAB Cn1cc(CN2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)cn1 306142427 WZEKLWVTUAKFEG-ZIAGYGMSSA-N 355.446 0.598 0 40 FCAB Cn1ncnc1C(=O)N1CCC2(CC1)CO[C@@H](CN1CCC[C@H]1CO)C2 585103131 DLIGHHPSWHXUNC-LSDHHAIUSA-N 363.462 0.283 0 40 FCAB CNC(=O)C[C@]1(COC)CN(C(=O)Cc2cccc(OC)c2)CCO1 585277075 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CC(=O)NCc1cncc([C@H]2CCCN2C(=O)C(C)(C)n2cncn2)n1 257294669 QVFSPRFMJFYQRB-OAHLLOKOSA-N 357.418 0.803 0 40 FCAB O=C(c1ccoc1)N1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1 306125274 CLDIKDOQKMUMMG-KGLIPLIRSA-N 356.382 0.668 0 40 FCAB Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)nnn1Cc1ccc(F)cc1 331437361 NAJLFOGHUSCZMM-ZDUSSCGKSA-N 352.391 0.691 0 40 FCAB CCS(=O)(=O)N(CC(=O)N1CCN(C)CC1)c1ccc2c(c1)OCO2 408702109 CFIARBAADRGFTC-UHFFFAOYSA-N 369.443 0.345 0 40 FCAB O=C(c1ccnc(F)c1)N1CCc2ncc(CN3CCOCC3)n2CC1 585110618 LMEOAIDIZYIDDG-UHFFFAOYSA-N 359.405 0.948 0 40 FCAB Cc1ccccc1C[C@]1(CO)CN(CC(=O)Nc2ccn(C)n2)CCO1 585278680 QLHCVLFEZASJAA-LJQANCHMSA-N 358.442 0.973 0 40 FCAB Cn1nc(C2CCN(c3ncnc4ncn(C)c34)CC2)n(C2CC2)c1=O 1888897050 XOHPZAMAHXZHDO-UHFFFAOYSA-N 354.418 0.977 0 40 FCAB CCN=c1cc(C)nc(N2CCN(c3ccc4nnc(C)n4n3)CC2)[nH]1 1889139043 YRCBLDHYFAWJPY-UHFFFAOYSA-N 353.434 0.711 0 40 FCAB CN1C[C@]2(COCC1=O)CN(C(=O)CCc1cccc(F)c1)CCO2 2037985188 AAQZFCVKXPBFAH-GOSISDBHSA-N 350.390 0.845 0 40 FCAB Cc1c(NC(=O)CSc2n[nH]c(N)n2)c(=O)n(-c2ccccc2)n1C 6607126 OBGBICQPYJZZHS-UHFFFAOYSA-N 359.415 0.916 0 40 FCAB CCOC(=O)NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 7779212 PBGZINOVSZZMGA-UHFFFAOYSA-N 372.399 0.431 0 40 FCAB O=C(CNC(=O)CNC(=O)c1cccs1)NCc1nc2ccccc2[nH]1 8725163 NHWVEFZIGCMNFP-UHFFFAOYSA-N 371.422 0.787 0 40 FCAB Cc1c(C(=O)NCCNC(=O)c2ccccn2)sc2ncn(C)c(=O)c12 12204831 OYWXHZBDSQJNJU-UHFFFAOYSA-N 371.422 0.858 0 40 FCAB O=C(CS[C@@H]1CCc2ccccc2NC1=O)N[C@@H]1CCS(=O)(=O)C1 12407201 UHQXLYBICSODPZ-TZMCWYRMSA-N 368.480 0.976 0 40 FCAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 12944034 OKJVEQBJAZGPNT-SNVBAGLBSA-N 357.432 0.248 0 40 FCAB O=C(NCCCn1cccn1)c1ccc(=O)n(CC(=O)N2CCCCC2)c1 19749372 NWCKSDBBNUFDSO-UHFFFAOYSA-N 371.441 0.877 0 40 FCAB O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1cccc(F)c1 23695748 CSJMIDJMULJLSL-UHFFFAOYSA-N 364.421 0.241 0 40 FCAB CCOC(=O)N1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2C)CC1 24472606 QYSXMJGHPRLYSP-UHFFFAOYSA-N 369.443 0.993 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)NCc2nnc3n2CCCC3)cc1 40146038 AOXHFHVUTWENCS-UHFFFAOYSA-N 350.404 0.584 0 40 FCAB CCOC(=O)N1CCN(C(=O)[C@@H](C)n2nnc3ccccc3c2=O)CC1 44448984 JXLCHDLURQVRHC-GFCCVEGCSA-N 359.386 0.653 0 40 FCAB CNC(=O)NC(=O)CN(CC(=O)OC)Cc1cc(OC)cc(OC)c1 58166053 JEBIHDUDTXHQIT-UHFFFAOYSA-N 353.375 0.134 0 40 FCAB C[C@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1cccc(C(N)=O)n1 96001617 NDWABFPQZONMQO-TXEJJXNPSA-N 353.444 0.885 0 40 FCAB O=C(c1cc[nH]n1)N1CCOC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 96240084 AWSBJJOOOGMFGC-SFHVURJKSA-N 356.382 0.684 0 40 FCAB CCCNC(=S)N1C[C@@]2(C)CN(C(=O)C(=O)OCC)C[C@](C)(C1)C2=O 100509560 KPEVFXADFAACGS-IAGOWNOFSA-N 369.487 0.574 0 40 FCAB CC[Sn](CC)(OS(C)(=O)=O)OS(C)(=O)=O 195999784 BTAJEOAQBGVPGM-UHFFFAOYSA-L 367.033 0.421 0 40 FCAB CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)O 226859909 NAYMKTUPYBSMSZ-SNVBAGLBSA-N 358.397 0.055 0 40 FCAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)Cn2cccnc2=O)n1 257266254 MCEUDFPNGAWRMW-INIZCTEOSA-N 355.398 0.638 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cc3cc(OC)ccc3n2C)CCN1C(C)=O 257271130 MWZNMGQHUHSEOY-KRWDZBQOSA-N 372.425 0.606 0 40 FCAB CNc1cc(N2CCC[C@](O)(CNC(=O)Cc3cccnc3)C2)ncn1 257280488 OLBQKUROUPXJDQ-SFHVURJKSA-N 356.430 0.604 0 40 FCAB CNC(=O)c1cnn2c(C3CCN(S(=O)(=O)N(C)C)CC3)ccnc12 257329985 XMGXXHJVKXQMSA-UHFFFAOYSA-N 366.447 0.075 0 40 FCAB Cn1cc(CN2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)cn1 306126892 FIEHABCDONXBBN-GJZGRUSLSA-N 356.430 0.168 0 40 FCAB NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3nncn3c2)cc1 542863949 JVXUWGWWRJJARM-UHFFFAOYSA-N 353.385 0.178 0 40 FCAB O=S1(=O)CC[C@@H](NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575425649 VTZHHYYYAAUPJO-SSDOTTSWSA-N 359.256 0.963 0 40 FCAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCN2C(=O)CNC2=O)C1 603528328 UUJMBBFETLZTIR-UKRRQHHQSA-N 359.430 0.673 0 40 FCAB COCC(=O)N1C[C@@H]2COCCN2C2(C1)CN(C1CCC(F)(F)CC1)C2 604381898 UFRBMHSKBKSCRA-OAHLLOKOSA-N 373.444 0.808 0 40 FCAB biogenic,in-vitro Cc1ccc(NC(=O)C(=O)NC[C@@]2(OCCO)CCOC2)cc1Cl 658414162 MLWJMNHLZFXFTR-INIZCTEOSA-N 356.806 0.871 0 40 FCAB CC(=O)N1C[C@@H]2OCCS(=O)(=O)N(Cc3cc(C)cc(F)c3)[C@@H]2C1 1534645890 PXMXXUXGRDBQEE-CVEARBPZSA-N 356.419 0.895 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2cnn(C)c2)CC1 2055773060 QFAFDNFQSRIPAF-UHFFFAOYSA-N 360.418 0.011 0 40 FCAB CCc1ccc(C(=O)N2CCC[C@@]3(COCCN(CC(=O)NC)C3)C2)cn1 2055815404 IRJKGGZFCATVRS-FQEVSTJZSA-N 374.485 0.945 0 40 FCAB NC(=O)c1cc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)ccn1 2086847981 LAQDTGMMIJJGOG-CYBMUJFWSA-N 354.357 0.643 0 40 FCAB COc1cc(S(=O)(=O)NCCN2CCCCC2)ccc1-n1cnnn1 4216610 VLEOKFQSBHTERI-UHFFFAOYSA-N 366.447 0.435 0 40 FCAB CCOC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O 8040990 RCOGBAIECAMVKM-UHFFFAOYSA-N 367.427 0.814 0 40 FCAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(N)=O)c2)C[C@@H](C)O1 12649125 LKAZYRZXCWXYFG-PHIMTYICSA-N 356.400 0.127 0 40 FCAB O=C(O)CCCNC(=O)NCC1=N[C@@H]2[C@@H](C=NN2c2ccccc2)C(=O)N1 13689724 HVWJCHWXPLEGOA-DOMZBBRYSA-N 372.385 0.127 0 40 FCAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C1CCN(S(C)(=O)=O)CC1 14172091 NGKDOPUHCPIHLG-TZMCWYRMSA-N 360.476 0.896 0 40 FCAB CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O)C(=O)O 16899582 NFTNXTDMVJTAOP-QWHCGFSZSA-N 350.396 0.949 0 40 FCAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCC3(C)COC3)C2)cnn1C 19716464 KGQUUKOJINPWBY-CYBMUJFWSA-N 370.475 0.282 0 40 FCAB CCN(CC)S(=O)(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 23435503 REXFCIBDPTZJDR-UHFFFAOYSA-N 355.507 0.675 0 40 FCAB COC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1cccc(OC)c1 26455800 PTBKCVXBXWJRTQ-INIZCTEOSA-N 361.398 0.808 0 40 FCAB COC[C@H](C)NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 36387077 TYXARVJCXSHJKP-PEBVRCNWSA-N 369.418 0.181 0 40 FCAB COc1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 38717707 TVXLVIQFEUSABR-UHFFFAOYSA-N 363.395 0.598 0 40 FCAB C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 41314702 VSXYKFFIIAMYNP-AWEZNQCLSA-N 367.471 0.484 0 40 FCAB CNC(=O)NC(=O)CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 47262350 FJUYKFDSRWZPNV-SNVBAGLBSA-N 353.810 0.841 0 40 FCAB CC1(C)N=C(O)N(C[C@@H](O)CN2CCN(Cc3ccccn3)CC2)C1=O 71282717 PGXITKGNJXSJDF-HNNXBMFYSA-N 361.446 0.095 0 40 FCAB C[C@@H](CNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)N1CCOCC1 95999932 RPFROONJKBOPGN-AWEZNQCLSA-N 367.471 0.151 0 40 FCAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(C(=O)C1CCOCC1)C2 96056996 NAOWZJVYBQGJMW-QFBILLFUSA-N 368.474 0.916 0 40 FCAB CN(C)C(=O)COC[C@H]1CN(CC2CCOCC2)Cc2nnn(C)c21 96086928 NZCZSSYSLBVOKE-CQSZACIVSA-N 351.451 0.246 0 40 FCAB CCn1cc(Cn2cc(NC(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C(=O)O)cn2)cn1 101591288 ZRMDTSPHWAHCDG-AJNGGQMLSA-N 359.386 0.965 0 40 FCAB O=C(NN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)o1 102609119 TWZRJTJYNJRZFB-QLSQZMLOSA-N 355.144 0.849 0 40 FCAB COC(=O)COC(=O)[C@@H](Cc1ccc(OCC(=O)OC)cc1)NC(C)=O 113547081 IWOTXTCVZSVJBS-CQSZACIVSA-N 367.354 0.002 0 40 FCAB O=C(O)[C@@H](CO)N(C(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 217371313 GOGSKUCEMQWSPO-NWDGAFQWSA-N 361.803 0.415 0 40 FCAB CC(C)C(=O)N[C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H]1O 225506522 NQIHBLYLJOMJLM-MPESAESLSA-N 371.455 0.351 0 40 FCAB biogenic,in-vitro CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ncon3)C2)cc1 238817989 BYCUOABPNGWGCY-LBPRGKRZSA-N 350.400 0.950 0 40 FCAB Cn1cc(C(=O)N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)cn1 248082821 ASOMLALCPNWTDX-CQSZACIVSA-N 353.444 0.476 0 40 FCAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cnccn3)C[C@H]12)c1cccnc1 585094054 AIIAWBKRMMDJDU-SQWLQELKSA-N 353.382 0.389 0 40 FCAB COc1ccc(CN(C)C(=O)c2nn(C)cc2CN2CC[C@H](N)C2)cn1 685941548 DCIKXWKXBITFEA-HNNXBMFYSA-N 358.446 0.629 0 40 FCAB O=C(C[C@H]1CO[C@@H]2CN(C(=O)CCc3cncnc3)C[C@@H]21)NCC1CC1 1565550980 ICZWLPYEGFCLDH-GVDBMIGSSA-N 358.442 0.799 0 40 FCAB Cc1noc(CC(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)n1 1565556427 TWMJPWURWBUSPR-UHFFFAOYSA-N 372.385 0.135 0 40 FCAB CC[C@H](C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 5937213 BHLJAKKNZIPTPE-LBPRGKRZSA-N 359.382 0.586 0 40 FCAB CCCCCOC(=O)Nc1nc(=O)n([C@H]2O[C@@H](C)[C@@H](O)[C@H]2O)cc1F 5973243 GAGWJHPBXLXJQN-WHIUSJLISA-N 359.354 0.760 0 40 FCAB CCOC(=O)/C=c1\s/c(=C/c2cccs2)c(=O)n1CC(=O)N(C)C 6488243 GYOQOHRSCIJVAW-DRIRWXSCSA-N 366.464 0.232 0 40 FCAB CC(=O)N1C[C@H](C(=O)N2CCN(c3ncccn3)CC2)Oc2ccccc21 7990366 BSAIGJIBYNTGOM-QGZVFWFLSA-N 367.409 0.939 0 40 FCAB CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccc(OC)cc2)C2CC2)C1=O 8157210 BFFUKQROLHIDRK-UHFFFAOYSA-N 359.382 0.997 0 40 FCAB CSc1nc2c(c(=O)[nH]1)CN(c1ccc(S(N)(=O)=O)cc1)CN2 8618891 ZDKGEXXWDPXRPJ-UHFFFAOYSA-N 353.429 0.529 0 40 FCAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cnccn1 9479112 KESRZRHHCQYZEZ-UHFFFAOYSA-N 368.440 0.489 0 40 FCAB CS(=O)(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 13791415 OBUDRTFJVNFOHY-NSHDSACASA-N 360.457 0.700 0 40 FCAB CCOCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15739953 BOYOKBBTYLAZNQ-UHFFFAOYSA-N 356.444 0.864 0 40 FCAB COc1ccc(OC)c([C@H]2C3=C(COC3=O)Nc3c2c(=O)[nH]c(=O)n3C)c1 16047709 ZAIHCYCQOBQAQQ-LBPRGKRZSA-N 371.349 0.459 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)OCc1cc(=O)n2ccccc2n1 16654653 KCTXTWKUNJTURC-UHFFFAOYSA-N 363.333 0.543 0 40 FCAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1nnc(-c2ccccc2)n1 19660725 OUAPYYWGINXKPC-MRXNPFEDSA-N 362.393 0.779 0 40 FCAB O=C(Cn1nnc(-c2ccccc2)n1)NC1=NS(=O)(=O)c2ccccc21 19717841 XVTZOGBWHABDTB-UHFFFAOYSA-N 368.378 0.605 0 40 FCAB CCCCNC(=O)CN1CCN(C(=O)c2ccc(=O)n(CCC)n2)CC1 28007654 RHFQDRPAICIECW-UHFFFAOYSA-N 363.462 0.327 0 40 FCAB O=C(NCCOCCO)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 32802594 CPPRHLAKZWYSGZ-CQSZACIVSA-N 360.407 0.104 0 40 FCAB CC[C@](C)(NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)C(=O)OC 58316645 SUQUPJRKYSTKDU-KRWDZBQOSA-N 368.386 0.639 0 40 FCAB CN(C)CCNC(=O)c1ccccc1NC(=O)c1nccnc1C(=O)O 71284913 LFOLQUOUSPAHLD-UHFFFAOYSA-N 357.370 0.719 0 40 FCAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCCN(C(=O)C2CC2)CC1 75017006 GPIKYPKQEQQZMK-UHFFFAOYSA-N 355.394 0.754 0 40 FCAB O=C(Cn1cncc(Br)c1=O)NC(=O)NCC(F)(F)F 84334783 XLVIVSBWRNPJAZ-UHFFFAOYSA-N 357.086 0.394 0 40 FCAB O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NC1CCCC1 89818499 RQTWYZQBOUUCBZ-UHFFFAOYSA-N 351.403 0.843 0 40 FCAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](CO)OC[C@H]2C)c1 89941304 DXPADYWMRJMCBY-MWLCHTKSSA-N 363.819 0.897 0 40 FCAB Cn1cnc(S(=O)(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c1 95432602 IUWRORRZPSNCMH-SECBINFHSA-N 366.407 0.654 0 40 FCAB Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H](C)O)CC2)ccc1OC(C)C 95451710 FSZAPGIMEAOXFX-AWEZNQCLSA-N 370.471 0.996 0 40 FCAB COc1cc(OC)c(S(=O)(=O)N2CCn3c2nc(C)cc3=O)cc1F 96013490 AIYYXJNZNICRBF-UHFFFAOYSA-N 369.374 0.917 0 40 FCAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(CNS(C)(=O)=O)C2)cc(C)n1 96108366 BHSLMEOTQZAPLV-ZBFHGGJFSA-N 353.444 0.336 0 40 FCAB CNC(=O)[C@H]1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1S(C)(=O)=O 96182889 VPTSHSIUDPMFHL-YUELXQCFSA-N 355.435 0.406 0 40 FCAB CC1=NN(c2cccc(Cl)c2)C(=O)[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 101901893 GADXBLNSNVIWEB-YPMHNXCESA-N 369.830 0.982 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCSc1ncn[nH]1)C1CCCCC1 226040607 YNCPYDZSQVOQHG-UHFFFAOYSA-N 361.493 0.607 0 40 FCAB CS(=O)(=O)NCC[C@@H]1CCOC12CN(C(=O)COc1ccccc1)C2 247533674 PRTOWUUIZZGIDN-CQSZACIVSA-N 368.455 0.622 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H](Cc2nccnc2-c2cnn(C)c2)C1 257251699 JRVNWTSWQXOPSU-GFCCVEGCSA-N 350.448 0.548 0 40 FCAB CNC(=O)c1cnn2c([C@@H]3CCCCN3S(=O)(=O)N(C)C)ccnc12 257321769 WDDYEGBGYUIMOM-LBPRGKRZSA-N 366.447 0.422 0 40 FCAB Cc1nn(C)cc1CCC(=O)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257344789 ZYRJDQICQGEABR-AWEZNQCLSA-N 359.430 0.874 0 40 FCAB Cc1ccc(S(=O)(=O)NCCN(C)c2ccc(C(=O)O)nn2)cc1 565034086 FSMPVQNADCDVBD-UHFFFAOYSA-N 350.400 0.898 0 40 FCAB C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(C(=O)O)cc1F 568007196 BZHQOWJAWBPKOL-MRVPVSSYSA-N 353.393 0.578 0 40 FCAB COc1cccc(CN(C)C(=O)CN2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)c1 621320884 FTQKLXMLDWXMEP-DOTOQJQBSA-N 359.430 0.886 0 40 FCAB COCCN1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)c4cc[nH]c4)CC3)[C@H]2C1 1565546518 FNCZJARMVKUHJX-HOTGVXAUSA-N 360.458 0.656 0 40 FCAB O=C(CCc1ccc[nH]1)N1CCOC[C@@]2(C1)CN(CC1CC1)C(=O)CO2 1565546896 GMZGWGZAKGUTHF-LJQANCHMSA-N 361.442 0.814 0 40 FCAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](O)CCSC)c1 1775967599 XPGZSDVTYNKUIU-NSHDSACASA-N 363.457 0.874 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cnc(-c3ccnn3C)cn2)CC1 1848352083 ITUZHNOYZUOYGU-UHFFFAOYSA-N 364.475 0.938 0 40 FCAB O=C(NCc1ccccn1)[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]2OCC[C@H]21 2055772758 ZICFVTHUSSLCMY-QMCVQRASSA-N 359.426 0.598 0 40 FCAB CN1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 5201467 HGXOWHCBTQHKRA-ZDUSSCGKSA-N 360.414 0.520 0 40 FCAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 5311490 LYOTVXKAUIRHNI-LURJTMIESA-N 352.372 0.602 0 40 FCAB COCCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C 5339741 ZLQFDLDLXQVUFH-UHFFFAOYSA-N 355.416 0.236 0 40 FCAB COCCNC(=O)C1=CC(c2ccc(OC)cc2)=NS(=O)(=O)N1C 6800323 DCVTYDKGJDXVIP-UHFFFAOYSA-N 353.400 0.321 0 40 FCAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCC#N)c(OC)c2)NC1=S 8112885 FZLDVLFWEXAMFG-XFFZJAGNSA-N 361.379 0.828 0 40 FCAB O=C(Cn1nc(C(=O)N2CCOCC2)cc1C1CC1)NCc1cccnc1 11929877 IGFYTNUVGYIKES-UHFFFAOYSA-N 369.425 0.944 0 40 FCAB Cc1nnnn1CCC(=O)N1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1 12086761 MSCOSJIJGSRUGB-GOSISDBHSA-N 370.413 0.555 0 40 FCAB Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(CC(N)=O)CC1)O2 12365570 DSPSLFCMIHORPR-UHFFFAOYSA-N 367.471 0.469 0 40 FCAB O=C(Cn1cc(C(=O)NCc2ncc[nH]2)ccc1=O)NC1CCCCC1 19749328 XWJISJHCCAVAHJ-UHFFFAOYSA-N 357.414 0.950 0 40 FCAB O=C(NCCN1CCOCC1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 22664545 XUDJKPPNFNRUPU-CQSZACIVSA-N 350.394 0.562 0 40 FCAB C[C@@H](c1ccccc1)n1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 23115302 QOGZLIGCFZILGS-ZDUSSCGKSA-N 369.425 0.880 0 40 FCAB COc1ccc(NC(=O)CNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)c1 36354497 UVPCGRLVYDSRIK-SNVBAGLBSA-N 371.415 0.129 0 40 FCAB C[C@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C(=O)N(C)C 40121206 WLNGEFVWWZBIEW-NSHDSACASA-N 353.444 0.581 0 40 FCAB COCc1ccccc1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 58203515 DFPIMRGUPFBGAK-UHFFFAOYSA-N 373.409 0.266 0 40 FCAB Cc1nnc(NC(=O)Cn2nc(N3CCSCC3)ccc2=O)s1 71285841 MDRUUTQBTGTTRD-UHFFFAOYSA-N 352.445 0.595 0 40 FCAB O=C(N1CCCC1)N1CCOC[C@@]2(C1)CN(c1ccccn1)C(=O)CO2 96051386 ORLYJIIPVRSFAU-GOSISDBHSA-N 360.414 0.732 0 40 FCAB Cn1cc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cn1 96120525 DUFHWLRADCLVAF-UHFFFAOYSA-N 363.443 0.646 0 40 FCAB CC1=NN2c3ccn(CC(=O)NCc4cccnc4)c(=O)c3C=N[C@@H]2N1 96125586 BENFWLZBUMBZLW-QGZVFWFLSA-N 351.370 0.019 0 40 FCAB O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CCN(C(=O)c3ccnnc3)C2)C1 96225628 GEVYPAWOVVOCHA-GUYCJALGSA-N 359.386 0.133 0 40 FCAB COc1ccc(N2C(=O)C[C@@H](SC[C@H](NC(C)=O)C(=O)O)C2=O)cc1 101273626 IOABLRHPBJKSMW-QWHCGFSZSA-N 366.395 0.650 0 40 FCAB O=C1NC(=O)c2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc21 226859871 QRZHGDTUQUVVEA-CQSZACIVSA-N 374.374 0.544 0 40 FCAB O=C(O)[C@H]1CC(c2ccc(F)cc2)=NN1/C=c1\sc2ncnn2c1=O 256028030 PCCQIUNRVOOBHA-MDUDVEDUSA-N 359.342 0.310 0 40 FCAB Cc1cccc2nc(C(=O)N[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)cn12 257210913 BWQRQRGHAGTSAP-QGPMSJSTSA-N 358.442 0.987 0 40 FCAB CCS(=O)(=O)NC[C@H]1CN(Cc2cccnc2OC)Cc2cncn21 306123069 ADVURTIVLJYKLB-HNNXBMFYSA-N 365.459 0.783 0 40 FCAB CS(=O)(=O)NC[C@@H]1CC[C@]2(COCCN(C(=O)CC3CCCC3)C2)O1 306140820 VEQMMWVHEPXQIT-RDJZCZTQSA-N 374.503 0.893 0 40 FCAB Cn1nccc1C(=O)N1CC[C@@]2(C1)CN(S(C)(=O)=O)c1cccnc12 306141585 WBCMTDHUIYHISJ-MRXNPFEDSA-N 361.427 0.379 0 40 FCAB CN(Cc1ccc(OCCN2CCCC2)cc1)[C@@H]1COC[C@@H](O)[C@H]1O 585290839 HMZFMXDRPNIHFV-QRVBRYPASA-N 350.459 0.714 0 40 FCAB CO[C@H]1CCN(C(=O)/C=C/CN2CCOCC2)CC[C@@H]1CC(=O)N(C)C 585292111 XOQVGGHNXIYMCC-FDRQBBGKSA-N 367.490 0.607 0 40 FCAB O=C(O)c1cn([C@H]2CCCN(C(=O)Cc3cn4c(n3)CCCC4)C2)nn1 652073503 HMOIOIRJLKSDMH-ZDUSSCGKSA-N 358.402 0.915 0 40 FCAB Cc1nc(CN2CCOC3(CCN(S(=O)(=O)N(C)C)CC3)C2)cs1 2055750586 IASYYAXXRXDURB-UHFFFAOYSA-N 374.532 0.925 0 40 FCAB CC(C)NC(=O)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 3336239 ABAWAVXWCYQWAA-SFHVURJKSA-N 358.398 0.700 0 40 FCAB CC(=O)NCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 3419894 RXBAFRLNQPQURN-HNNXBMFYSA-N 353.444 0.482 0 40 FCAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 6942987 KCRALKGQVLUQGU-UHFFFAOYSA-N 353.356 0.734 0 40 FCAB CS(=O)(=O)Nc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1 10897094 ORGNFBVTNLDETR-UHFFFAOYSA-N 354.413 0.795 0 40 FCAB COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3ccccn3)C2)nn1 12184843 WELBMCWLLROOHX-AWEZNQCLSA-N 372.429 0.602 0 40 FCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ccncc2)CC1 12795878 BDZYVVCPABCEGV-UHFFFAOYSA-N 357.414 0.595 0 40 FCAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1 13791346 WDZGIZYQDHHMBX-VIFPVBQESA-N 351.384 0.180 0 40 FCAB O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@H]1CCS(=O)(=O)C1 23259586 JLSKUZFMHRBSEQ-HNNXBMFYSA-N 369.462 0.247 0 40 FCAB COCCN1C(=O)/C(=C\NCc2nc3ccccc3n2C)C(=O)NC1=S 25571591 TWXZTHZYUCCRGI-LUAWRHEFSA-N 373.438 0.437 0 40 FCAB C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@H](C)O1 32768005 DJZUNVMBLCTAAQ-RYUDHWBXSA-N 357.432 0.285 0 40 FCAB CC[C@H](C)NC(=O)CCNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 58195167 RSHOGDLRWWRFOT-SWLSCSKDSA-N 359.430 0.528 0 40 FCAB O=C(Nc1ccccc1Cl)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 95981272 COACEOVBEYFNLS-KGLIPLIRSA-N 373.862 0.647 0 40 FCAB Cc1nnc([C@@]23CCO[C@@H]2CCN(S(=O)(=O)c2cn(C)cn2)C3)o1 96038812 ZOQCXGZXNZYYGX-BXUZGUMPSA-N 353.404 0.233 0 40 FCAB CC(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cn23)C1 96267700 ZAVJXUZODFRBSF-GOEBONIOSA-N 370.457 0.841 0 40 FCAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)CSc2ccncc2)C1 225678641 USAVBYAGXYIZIA-UHFFFAOYSA-N 352.441 0.592 0 40 FCAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@@H]21 257205052 AXKRMLBGUFJVGJ-IXDOHACOSA-N 359.474 0.872 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cn(CCOC)c3ccccc23)CCN1C 257229951 GACRALXEIUXAQG-KRWDZBQOSA-N 358.442 0.790 0 40 FCAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccn(C)n1 257294746 QVNLEDFDAMGGTP-MRXNPFEDSA-N 370.457 0.291 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cncc(-c3cc[nH]n3)n2)CC1 257305457 SQCKRBQXGNJPDD-UHFFFAOYSA-N 350.448 0.928 0 40 FCAB CCN(CC)S(=O)(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1 257322967 WIGULBNHWHJOBP-ZIAGYGMSSA-N 358.416 0.395 0 40 FCAB NC(=O)c1ccc2ccn([C@@H]3CN(C(=O)CCCC(=O)O)C[C@H]3O)c2n1 257325013 WRCHNUWXVJBGCD-CHWSQXEVSA-N 360.370 0.134 0 40 FCAB C[C@H](CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)S(N)(=O)=O 330591185 OHCXIOKUNHNOIJ-RQJHMYQMSA-N 354.354 0.327 0 40 FCAB CC(C)CCN1CC[C@H]2[C@H](CC(=O)NC3CS(=O)(=O)C3)OC[C@H]2C1 585109452 QCIRKGVCXJUDRU-BMFZPTHFSA-N 358.504 0.673 0 40 FCAB COC[C@@]1(CC(N)=O)CN(C(=O)C2(c3ccccc3F)CC2)CCO1 585278641 PMXMUTPIAQBDPO-QGZVFWFLSA-N 350.390 0.977 0 40 FCAB CO[C@@]1(CC(=O)NCc2ccc(CO)cc2)COCCN(C(C)=O)C1 585280758 OOSKVSTZQNMWIX-GOSISDBHSA-N 350.415 0.449 0 40 FCAB CCOc1ccncc1S(=O)(=O)N1CCC[C@@]1(COC)C(=O)NC 643704113 KKLKJUIOPWDQRQ-OAHLLOKOSA-N 357.432 0.396 0 40 FCAB Cn1ccc(CC(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)n1 1565541839 ABGWNQGAEJCEOQ-UHFFFAOYSA-N 357.462 0.973 0 40 FCAB Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCC(=O)N(C(C)C)C2)C1 2037984919 RVDSXGGQHHFPNR-QGZVFWFLSA-N 350.419 0.207 0 40 FCAB Cn1c(=O)c2c(ncn2C[C@H](O)CNc2cccc(Cl)c2)n(C)c1=O 801740 XWMOBHCCHHWOME-GFCCVEGCSA-N 363.805 0.560 0 40 FCAB biogenic CCCCCCn1c(SC[C@@H](O)CO)nc2c1c(=O)[nH]c(=O)n2C 2060834 YCCJCVSOYUVLIV-JTQLQIEISA-N 356.448 0.449 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 3336114 VCWGTNQIYWZXCT-UHFFFAOYSA-N 358.379 0.683 0 40 FCAB CCNC(=O)NC(=O)COC(=O)CCc1nc(=O)c2ccccc2n1C 5895761 NNINAVCNYBVJMR-UHFFFAOYSA-N 360.370 0.255 0 40 FCAB O=C(O[C@@H]1CCOC1=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 6429002 PXKSRSFVEBVWKG-GFCCVEGCSA-N 373.358 0.319 0 40 FCAB CCCNC(=O)[C@@H]1CN(CC(=O)NCC(=O)NCC)c2ccccc2O1 7355795 MANVSNMDMMFMQQ-HNNXBMFYSA-N 362.430 0.033 0 40 FCAB Cc1noc(N)c1C(=O)OCC(=O)NC(=O)NCCc1cccs1 9448332 RJZSTMBNEUTWJS-UHFFFAOYSA-N 352.372 0.852 0 40 FCAB COCCn1cnc2c1c(=O)n(CC(=O)c1ccc[nH]1)c(=O)n2CC(C)C 10580486 JGKZIHJPKJFCIX-UHFFFAOYSA-N 373.413 0.873 0 40 FCAB Cc1ccc(NC(=O)Cn2ccnc2)cc1S(=O)(=O)N1CCOCC1 10809294 NQCLPBYXYPHQSL-UHFFFAOYSA-N 364.427 0.851 0 40 FCAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCC(=O)NC(C)(C)C)C2=O 12615411 QUZOKEVLBLAWKZ-UHFFFAOYSA-N 366.462 0.908 0 40 FCAB CCN(CC)C(=O)c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 12971711 AUYXNWSBZUZJNC-CYBMUJFWSA-N 374.484 0.634 0 40 FCAB Cc1cccc(Cn2c(CN3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 20354929 FOXPAQDQMPIXJJ-UHFFFAOYSA-N 369.425 0.612 0 40 FCAB Cn1c(=O)n(C)c2nc(Cl)c(CC(=O)NCc3ccccc3)n2c1=O 28527324 HGSUIXXCULWRHV-UHFFFAOYSA-N 361.789 0.244 0 40 FCAB CC(C)CCNC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1 32092736 FSPYABPDFUXXDH-HNNXBMFYSA-N 367.471 0.728 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)NCCN2C(=O)CSC2=O)cc1 40030658 YLKFCOJNKZZRDX-UHFFFAOYSA-N 357.413 0.619 0 40 FCAB CN1C(=O)COc2ccc(NC(=O)C(=O)NC[C@@H](O)c3ccccc3)cc21 40266674 ATYKHVOKLDQTGO-OAHLLOKOSA-N 369.377 0.830 0 40 FCAB NC(=O)[C@H]1CN(Cn2nc(-c3cccnc3)n(C3CC3)c2=S)CCO1 50926532 YTJWQJVROQATTR-CYBMUJFWSA-N 360.443 0.955 0 40 FCAB NS(=O)(=O)c1cnn(CC(=O)NCCOc2ccc(Cl)cc2)c1 60295214 DKZWHWVTMUHTDS-UHFFFAOYSA-N 358.807 0.379 0 40 FCAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NC(CO)(CO)CO 67665132 QYIXDZZHVVTARJ-AWEZNQCLSA-N 358.394 0.038 0 40 FCAB in-vitro COC(=O)[C@@H]1C[C@@H](N[C@@H]2CCN(C3CC3)C2=O)CN1C(=O)OC(C)(C)C 95940845 DBOLCMGYTRYRSY-BNOWGMLFSA-N 367.446 0.890 0 40 FCAB Cc1ccc2nc(NC(=O)C(=O)C3C(=O)NC(=S)NC3=O)sc2c1 102936785 IFYDAMWOEKJLSE-UHFFFAOYSA-N 362.392 0.259 0 40 FCAB C[C@H]1CN([C@H](C)CNC(=O)N2CCN(c3ncccn3)CC2)C[C@@H](C)O1 106054970 VKMGOJPDLGYVRD-OAGGEKHMSA-N 362.478 0.806 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCOc2ccccc2)C1 260850788 QTWPFLYRAHXOKM-AWEZNQCLSA-N 355.460 0.700 0 40 FCAB COc1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@H]2COCCN2)c1 528054331 OHOXKMRAZWMELN-JTQLQIEISA-N 354.350 0.981 0 40 FCAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CN2CCC(O)CC2)[C@@H](O)C1 585283264 DUDJQZBZQWGBHN-WMZOPIPTSA-N 368.861 0.735 0 40 FCAB COc1ccc(/C=C/C(=O)N(C)[C@@H]2COC[C@@H](OC)[C@H]2O)cc1OC 585286099 JEFJSFIPKXPDTC-CFWZYZAOSA-N 351.399 0.950 0 40 FCAB CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 610031918 JCZSLSBQZIMBOI-AWEZNQCLSA-N 359.835 0.608 0 40 FCAB O=C(Cn1ncccc1=O)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1776008716 NMCWOCKVWVMZNF-UHFFFAOYSA-N 354.288 0.947 0 40 FCAB O=C(c1cc[nH]c1)N1CCOC[C@]2(C1)CN(c1cccnc1)C(=O)CO2 2055796228 WBHVSADKHGJGIX-SFHVURJKSA-N 356.382 0.684 0 40 FCAB COC(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O 626769 AKIVAEMHBBAVNN-BASYENTBSA-N 364.350 0.801 0 40 FCAB O=S(=O)(O)c1cc(S(=O)(=O)O)c2cccc3c2c1NS3(=O)=O 1848675 SOEOLOYSOQPCII-UHFFFAOYSA-N 365.366 0.447 0 40 FCAB COc1ccc(C(=O)O)cc1S(=O)(=O)NCCCN1CCOCC1 3259325 ASEODXGAPXXLHA-UHFFFAOYSA-N 358.416 0.394 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 3310411 UMBVGPZMQVVYMM-UHFFFAOYSA-N 372.406 0.543 0 40 FCAB NC(=O)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 3526027 FGCSMFRQOIHJBC-UHFFFAOYSA-N 373.365 0.967 0 40 FCAB CCNC(=O)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1Cl 8314036 SPVDSLHTPBHPIE-SNVBAGLBSA-N 361.851 0.649 0 40 FCAB CCS(=O)(=O)N(CC(=O)NCCCN(C)C)c1ccc2c(c1)OCO2 14400951 IMRYMKVHYCNGQE-UHFFFAOYSA-N 371.459 0.639 0 40 FCAB CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccco2)NC(=O)N[C@@H]1C 22862653 RXTWGKCKEUNSQN-SECBINFHSA-N 365.342 0.071 0 40 FCAB CCN(CC)C(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 26129654 GBGIVENPFGPLFR-UHFFFAOYSA-N 358.320 0.982 0 40 FCAB CNC(=S)N1CCN(c2nc3c(C)nn(C)c3c(=O)n2C(C)C)CC1 28559140 PMHRLFSFMZEZCR-UHFFFAOYSA-N 363.491 0.646 0 40 FCAB CC(C)(CNC(=O)Cn1cnc2sccc2c1=O)N1CCOCC1 29964367 TWRXHBMJNOZDHU-UHFFFAOYSA-N 350.444 0.685 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)c3cncc(Br)c3)CC2)N1 40023684 UHIRFQHJXOWPGV-UHFFFAOYSA-N 353.176 0.658 0 40 FCAB Cc1cc(C)nc(NCCCC(=O)N2CCN(S(C)(=O)=O)CC2)n1 95476560 JSHFSRRGBGUZGM-UHFFFAOYSA-N 355.464 0.389 0 40 FCAB COc1ccc(CN2C[C@H](C(=O)N[C@@H](C)C[S@](C)=O)CC2=O)cc1 96010500 ONSDHESDPATTMP-CVDOSRGISA-N 352.456 0.927 0 40 FCAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1)C2 96039756 RARLMBGTZCGAGK-SJLPKXTDSA-N 350.463 0.896 0 40 FCAB COC[C@H]1CC2(CCN(C(=O)c3cnoc3)CC2)CN1S(C)(=O)=O 96217634 DDERKFIRCGHTRG-CYBMUJFWSA-N 357.432 0.577 0 40 FCAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCOCC1 217533632 SEEZHNKBAOOKCL-NSHDSACASA-N 358.416 0.535 0 40 FCAB COCc1cn(C[C@H]2C[C@@H](NC(=O)Nc3ccccc3)[C@H](O)[C@@H]2O)nn1 225504298 OETWATMIGSJMCC-MPESAESLSA-N 361.402 0.357 0 40 FCAB biogenic,in-vitro Cc1ccc2oc(=O)n(CCC(=O)N3CCN(C(C)C)[C@H](C(N)=O)C3)c2c1 257246134 ISQABOJBJYXAOF-HNNXBMFYSA-N 374.441 0.700 0 40 FCAB Cc1n[nH]c(C)c1CC(=O)N1CCN(CCc2ccccc2)[C@@H](C(N)=O)C1 257333165 YALQMHKOMRMEHW-GOSISDBHSA-N 369.469 0.810 0 40 FCAB COc1ncccc1CN1C[C@H]2OC[C@@H](CNS(=O)(=O)C3CC3)[C@H]2C1 306130548 JJFYDYOVJKKMTG-FVQBIDKESA-N 367.471 0.619 0 40 FCAB CN(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)C2CC2)CC1 306136664 PZLQMJZZLZUZDP-UHFFFAOYSA-N 374.489 0.535 0 40 FCAB O=C(NCc1ccncc1OCC(F)F)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1548453231 PJPUHDCAHOJDRA-BDJLRTHQSA-N 371.340 0.968 0 40 FCAB COc1cnc(C(=O)N2C[C@H]3CCN(CC(=O)N(C)C)CC[C@H]3C2)cn1 2056223899 GUQUSOAXJZBCMJ-OKILXGFUSA-N 361.446 0.357 0 40 FCAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCC(C)C 11905916 UIICDQDICOTRRP-UHFFFAOYSA-N 360.457 0.996 0 40 FCAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCN(c2ncccn2)CC1 12236512 QLYHONWFXXOKQF-ZDUSSCGKSA-N 372.454 0.727 0 40 FCAB C[C@H](CC(=O)N(C)C)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 12749128 PZLVLNZSHOCFPS-CQSZACIVSA-N 369.487 0.664 0 40 FCAB CNC(=O)N(C)C(=O)c1cnc2c(c1)c(C)nn2[C@H]1CCS(=O)(=O)C1 12907656 SVUKRQMPTCNIPV-NSHDSACASA-N 365.415 0.511 0 40 FCAB COc1c(F)c(F)cc2c(=O)c(C(=O)NC[C@H](O)CO)cn(C3CC3)c12 13684470 DGYWRBNFZKUJLJ-VIFPVBQESA-N 368.336 0.706 0 40 FCAB COC(=O)[C@@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 14674140 BIEWHEDWLSFZJB-GFCCVEGCSA-N 371.411 0.734 0 40 FCAB O=S(=O)(C1CCCC1)N1CCC(c2nnc3n2CCNCC3)CC1 19709512 XRUNTYRKNSIMEX-UHFFFAOYSA-N 353.492 0.876 0 40 FCAB Cc1ccsc1CN(C)C(=O)CN1CCN(CC(=O)NC2CC2)CC1 22787462 VDSYDPQJINAMMM-UHFFFAOYSA-N 364.515 0.911 0 40 FCAB CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccc(OC)c(F)c2)C1=O 24731509 LXUUHBSOMUIMOM-UHFFFAOYSA-N 351.334 0.603 0 40 FCAB O=C(CN1CCN(C(=O)CCCn2cncn2)CC1)Nc1ccc(F)cc1 40144044 NWHOSQKPHTXRIL-UHFFFAOYSA-N 374.420 0.980 0 40 FCAB COc1ccc(OC)c(CCNC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 54760649 ITIVWZFHJDFPLR-GFCCVEGCSA-N 356.444 0.980 0 40 FCAB Cn1c(=O)n(CCNS(=O)(=O)c2cccs2)c(=O)c2ccccc21 72408192 YOZJPFGPVLVGTQ-UHFFFAOYSA-N 365.436 0.740 0 40 FCAB O=C(Cn1nnn(-c2ccc(NC(=O)C3CCC3)cc2)c1=O)NC1CC1 75163242 RCQSVDDUIXOKLQ-UHFFFAOYSA-N 356.386 0.446 0 40 FCAB Cn1nc(N2CCC[C@H](C(=O)Nc3ccccc3C(N)=O)C2)ccc1=O 75166419 NYKOBHIWRFSZNB-LBPRGKRZSA-N 355.398 0.734 0 40 FCAB COCCC(=O)N1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 96080359 AGDPDCMGDPLDRF-SFHVURJKSA-N 362.430 0.350 0 40 FCAB COc1cc(N2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)ncn1 96216692 AFZULFCKVZXPKP-GFCCVEGCSA-N 356.448 0.410 0 40 FCAB Cc1ncsc1C(=O)N1CC[C@H]2[C@@H](CC1)OCCN2S(C)(=O)=O 96249460 WUEHOTRJNIBDAX-NWDGAFQWSA-N 359.473 0.717 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)c3cc(C4CC4)on3)C2)CN1CC1CC1 247952967 MTAXFXGNIYCBAY-OAHLLOKOSA-N 374.441 0.603 0 40 FCAB CCc1nccn1CCC(=O)NC[C@]1(O)CCN(c2cc(C)ncn2)C1 257231221 GFVMDEGAZWKUGD-GOSISDBHSA-N 358.446 0.692 0 40 FCAB Cc1ccn(CCC(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)n1 257290926 QEXSCBXWPBTRAA-JFIYKMOQSA-N 350.463 0.702 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2nccnc2-c2cnn(C)c2)CC1 257296162 RBMHXRBFEOHQPN-UHFFFAOYSA-N 350.448 0.863 0 40 FCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccnc3)C(=O)[C@@H]12 409295569 FDHHPHOLFVPXCW-NPSOMJIGSA-N 372.333 0.347 0 40 FCAB CN1CCN(C(=O)c2ccc(NC(=O)c3ccc4nnnn4c3)cc2)CC1 531557533 WFNGMORQEOJWPX-UHFFFAOYSA-N 365.397 0.764 0 40 FCAB CN(C)C(=O)c1ccc(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)cc1 647645176 IWIGEZYSWPVMMR-UHFFFAOYSA-N 356.430 0.949 0 40 FCAB COc1cc(C(=O)N2CCOC[C@@]3(C[C@@H](Cn4cnnc4)CO3)C2)on1 1565548940 MWZMBVZLYVXSCE-BLLLJJGKSA-N 363.374 0.223 0 40 FCAB CCOC(=O)C1=C(N)Oc2ccccc2[C@@]12C(=O)NC(C)=C2C(=O)OC 4517205 ZDQASLCCJRSPPO-SFHVURJKSA-N 358.350 0.627 0 40 FCAB CNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 4519240 VQQIHLWLBHRBPJ-CYBMUJFWSA-N 354.359 0.796 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccccc2F)cc1 4583665 SSSVOKAVRZNLTP-UHFFFAOYSA-N 365.386 0.771 0 40 FCAB C[C@@H](OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(N)=O 7680238 IKQBBKFGJLAHTN-RPTYSRGTSA-N 368.411 0.138 0 40 FCAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 7962356 BINYAHZKMOBJPX-HNNXBMFYSA-N 350.440 0.973 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 11612501 PFDWAQFLEBZFDG-UHFFFAOYSA-N 367.427 0.790 0 40 FCAB O=C(N1CCOCC1)N1CCN(CN2C(=O)c3ccccc3C2=O)CC1 14162797 XVFOGTPYRCDICR-UHFFFAOYSA-N 358.398 0.310 0 40 FCAB C[C@H](OC(=O)c1ccc(F)cc1N)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 14236977 CRLQINIHRFKJSW-ONGXEEELSA-N 358.391 0.599 0 40 FCAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(=O)(=O)N(C)C 16163197 WWKYFGFUZPSCPI-UHFFFAOYSA-N 369.443 0.283 0 40 FCAB NS(=O)(=O)c1ccc(NNS(=O)(=O)c2ccccc2C(=O)O)cc1 16449382 UVOSWLQWOIASMI-UHFFFAOYSA-N 371.396 0.338 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 17050618 PXACOXPSPHQCBU-UHFFFAOYSA-N 361.423 0.830 0 40 FCAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCCCC2)cc1 20769090 QGSGMPQQSDPYNI-UHFFFAOYSA-N 367.471 0.956 0 40 FCAB NC(=O)[C@@H]1CCCN1C(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O 32124354 VPIQOYZRAHSQBN-HNNXBMFYSA-N 372.425 0.727 0 40 FCAB biogenic CS(=O)(=O)N1C[C@H](C(=O)NCCCN2CCCC2)Oc2ccccc21 44913513 HJMJQBLHDAIHPY-MRXNPFEDSA-N 367.471 0.816 0 40 FCAB O=C(NCCc1ccccc1)[C@@H](O)[C@@H](O)C(=O)NCCc1ccccc1 60220765 FUMNLSKJVNMPBV-HDICACEKSA-N 356.422 0.426 0 40 FCAB COc1ccc2c(c1)[C@@H](C(=O)N1CCc3[nH]nc(C(N)=O)c3C1)CC(=O)N2 91871951 ZVLPXUOAQHFAMP-NSHDSACASA-N 369.381 0.528 0 40 FCAB CN1CCC(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)CC1 113947688 MZDLPYWVTRFJPU-UHFFFAOYSA-N 372.466 0.649 0 40 FCAB CCc1nc(C)c(CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)[nH]1 257223692 DYNRTADYXRIWCK-HOCLYGCPSA-N 356.492 0.641 0 40 FCAB CCC(=O)Nc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1OC 408696648 DAKNBJOAMWSFHQ-UHFFFAOYSA-N 371.459 0.654 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 681944068 SCGWAKJFPFLNDK-KRWDZBQOSA-N 360.410 0.949 0 40 FCAB COc1ccc(CN(C)C(=O)c2nn(C)cc2CN2CC[C@@H](N)C2)cn1 685941552 DCIKXWKXBITFEA-OAHLLOKOSA-N 358.446 0.629 0 40 FCAB Cn1ccnc1CN[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(-c2cccc(F)c2)nn1 1549162998 ZHEQGTYBKZRSKF-LZLYRXPVSA-N 372.404 0.736 0 40 FCAB Cc1nc(COC[C@]23COC[C@H]2CN(C(=O)c2ncn(C)n2)C3)cs1 1565543264 NSPGRPKJMCHICV-WBMJQRKESA-N 363.443 0.885 0 40 FCAB COc1cc(C(=O)N2CCOC[C@]3(CN(CC4CC4)C(=O)CO3)C2)on1 1565546681 CURFITCLRXQYBC-QGZVFWFLSA-N 365.386 0.163 0 40 FCAB Cc1nnc(N2CCOC[C@]3(CCCN(C(=O)[C@H]4CCOC4)C3)C2)o1 1565555427 ACRMTTNICVFOHF-YOEHRIQHSA-N 350.419 0.860 0 40 FCAB CC1CC(C(=O)N2CCO[C@]3(COCCN(CC(=O)N(C)C)C3)C2)C1 1614936333 JWPNGVDEFFAQKZ-JMLCCBQJSA-N 353.463 0.051 0 40 FCAB Cc1ccc(=O)n(CC(=O)N(C)CCN(C)C(=O)CC[C@@H]2CCOC2)n1 1615612089 WJBFCZVVBDKHKI-OAHLLOKOSA-N 364.446 0.285 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)Cn5cccn5)C[C@@H]4C3)nn12 1888906373 YPQUFUFDCAIKFD-KBPBESRZSA-N 366.429 0.478 0 40 FCAB COc1ccc(NC(=O)C(=O)NCC2(O)CSCCSC2)cc1 1888928897 DRKYPHVFHWIBGC-UHFFFAOYSA-N 356.469 0.961 0 40 FCAB CC(=O)Nc1cccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 6650267 JCVIWIWNGJYQDR-ZDUSSCGKSA-N 354.384 0.105 0 40 FCAB COc1cccc(C2(O)CCN(CCNC(=O)C3=NNC(=O)CC3)CC2)c1 12326320 XNSFJVNVPLNTLE-UHFFFAOYSA-N 374.441 0.361 0 40 FCAB O=c1[nH]c(=O)c2cc(S(=O)(=O)N(Cc3cccnc3)C3CC3)ccc2[nH]1 12362074 NMMVSMBGNSWIDF-UHFFFAOYSA-N 372.406 0.965 0 40 FCAB CCOCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 16687973 LGXUEQIBXUIOLL-UHFFFAOYSA-N 374.459 0.867 0 40 FCAB CC(C)NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 19448651 CLXSJPYPIQZRCX-XIKOKIGWSA-N 359.430 0.859 0 40 FCAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 58215920 UNZNATNJTZQGPQ-NSHDSACASA-N 361.441 0.576 0 40 FCAB COc1ccccc1CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 59389814 HULGWTLTOHGUEV-CQSZACIVSA-N 352.456 0.963 0 40 FCAB COC(=O)[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1c1ccc(OC)cc1 72389516 ZUPNAPAYFOBRQI-UONOGXRCSA-N 357.366 0.807 0 40 FCAB C[C@H]1C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCO1 95455536 BBZQYMFVCLEKJB-STQMWFEESA-N 362.473 0.452 0 40 FCAB COC(=O)[C@@H]1C[C@H](N[C@@H]2CCN(C3CC3)C2=O)CN1C(=O)OC(C)(C)C 95940846 DBOLCMGYTRYRSY-YUTCNCBUSA-N 367.446 0.890 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102238911 DQAXQMMAGTZHAM-JURCDPSOSA-N 364.423 0.516 0 40 FCAB COCCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 113965552 MGCKQFBCZPQMBG-UHFFFAOYSA-N 372.443 0.767 0 40 FCAB CCCCS(=O)(=O)N(C)CC(=O)NCc1ccnc(N2CCCC2)n1 224204901 MWGPQYMNYSQWOD-UHFFFAOYSA-N 369.491 0.755 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)c3cc(C)oc3C)C2)CN1CC1CC1 248010816 IXQLGKBHGNFDNP-MRXNPFEDSA-N 361.442 0.948 0 40 FCAB CN(CC(=O)NC[C@]1(O)CCN(c2cnccn2)C1)Cc1cccnc1 257302286 SCHZPWSXXAHHEH-GOSISDBHSA-N 356.430 0.061 0 40 FCAB O=C(c1ccnnc1)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257307595 SZJOXDRLRKDPFG-IRXDYDNUSA-N 352.394 0.771 0 40 FCAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(COC(C)=O)O1 409304219 KPMITKPEJOUTFF-GJRWTSMGSA-N 371.345 0.849 0 40 FCAB O=C(O)[C@H]1C[C@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 562406032 IFWDJUICHHGPJK-CABCVRRESA-N 366.439 0.949 0 40 FCAB C[C@@H]1[C@@H](C(=O)O)CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 580939493 LMRZSIGSWSEQKJ-RISCZKNCSA-N 358.460 0.902 0 40 FCAB CO[C@H]1CN(C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)[C@@](C)(CO)C1 634064527 SBCJUKGYEKMSMZ-ADLMAVQZSA-N 356.382 0.788 0 40 FCAB Cc1c([C@H]2CNC[C@@H]2C(=O)N2CCS(=O)(=O)C(C)(C)C2)cnn1C 643717740 DXRFICZHQTWSER-KGLIPLIRSA-N 354.476 0.067 0 40 FCAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)[C@@H]1CCCc2nn[nH]c21 1118947111 OBOVQDJXSORHAB-GHMZBOCLSA-N 353.390 0.057 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)c3ncc(Cl)cn3)CC[C@H]21 1565555028 OIXCHXABYKFVAZ-VXGBXAGGSA-N 374.850 0.395 0 40 FCAB CCN1C(=O)C[C@H](C(=O)N2CCN(CC3CC3)CC2)[C@H]1c1nccn1C 1615589821 LCHNXYHLYYBGAP-RDJZCZTQSA-N 359.474 0.884 0 40 FCAB CCOCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)NCCOC)C2 2055715985 PKLSWWKLYDVQBF-CYBMUJFWSA-N 352.435 0.365 0 40 FCAB CC(=O)OCC1=C(COC(C)=O)[C@H]2O[C@@H]1[C@H](OC(C)=O)[C@@H]2OC(C)=O 5217630 TWKWAKDBYKUGBZ-GEEKYZPCSA-N 356.327 0.054 0 40 FCAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O 5317725 INHBBLAAKUFQTQ-JBLDHEPKSA-N 359.423 0.761 0 40 FCAB biogenic CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)O 5706763 WRDZCFUWKUEZOX-KWCYVHTRSA-N 352.387 0.889 0 40 FCAB Cc1ccc(Sc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1 5707088 ZDAQKEGYECYJHL-VYHVBIQSSA-N 374.422 0.897 0 40 FCAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 5707228 GDDNLCRRKSFBEC-CABCVRRESA-N 366.414 0.978 0 40 FCAB O=C(O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6759138 LKAHZPFTLUAHIX-UHFFFAOYSA-N 358.391 0.817 0 40 FCAB CN(C)CCNc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C 7425803 DGIBXWOXAQPSFJ-UHFFFAOYSA-N 356.430 0.456 0 40 FCAB CCN(CC)CCNC(=O)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 9708550 VGZMEIWLFWYIDD-UHFFFAOYSA-N 358.442 0.918 0 40 FCAB CC(=O)N1CCN(C(=O)CN2C(=O)N3CCN=C3c3ccccc32)CC1 12184983 CSXVLRBLNFGPDI-UHFFFAOYSA-N 355.398 0.380 0 40 FCAB c1ccc([C@H]2N=C3NCN(n4cnnc4)CN3c3nc4ccccc4n32)nc1 13638311 OHMSMUFBKMOBEI-INIZCTEOSA-N 372.396 0.902 0 40 FCAB C[C@H]1CN(C(=O)CCNC2=NS(=O)(=O)c3ccccc32)C[C@H](C)O1 14245436 RDPOOSLMUAZKME-RYUDHWBXSA-N 351.428 0.751 0 40 FCAB Nc1nnc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 20830196 JXQFNQCITZIUSZ-UHFFFAOYSA-N 359.458 0.889 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 30566065 KASFZYBZSRLYOW-UHFFFAOYSA-N 355.464 0.632 0 40 FCAB COc1ccc(CNC(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)cc1 32708058 NXTPYRCKNDGCJB-UHFFFAOYSA-N 371.349 0.895 0 40 FCAB CCCOC(=O)c1ccc(NC(=O)CN2CCN(CC)C(=O)C2=O)cc1 32926067 FOKRWGCXTXEQKX-UHFFFAOYSA-N 361.398 0.883 0 40 FCAB COc1ccccc1[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)N(C)C 40087918 SOSKNYUMCVOWJY-OAHLLOKOSA-N 369.425 0.924 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)NC[C@H](C)Cn2nc(C)cc2C)n(C)c1 48275395 JLLNXHBRYLMBAP-NSHDSACASA-N 367.475 0.813 0 40 FCAB Cc1cccc(C)c1OCc1nnc(SCCC(=O)NC(N)=O)n1N 54369187 FKARCQGPQQVQCY-UHFFFAOYSA-N 364.431 0.865 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCN1C(=O)CCC1=O 57985636 YDZLUVKYBKTPSB-UHFFFAOYSA-N 367.427 0.723 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 57993757 BNGYNQXOUKMZMC-LLVKDONJSA-N 356.473 0.517 0 40 FCAB CCOC[C@@H]1CN(C(=O)CS(C)(=O)=O)Cc2ncn(CC3CC3)c21 96045144 KKGZXYLCFYHRDU-ZDUSSCGKSA-N 355.460 0.800 0 40 FCAB CN1CCN(CCN2CCCC2)C(=O)C12CCN(c1ncccn1)CC2 96077172 JANSBQLWDTZSQQ-UHFFFAOYSA-N 358.490 0.685 0 40 FCAB CS(=O)(=O)CC(=O)N1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 96108231 YFWJMHYBEZSGMG-UONOGXRCSA-N 358.485 0.452 0 40 FCAB COC[C@H]1CC2(CCN(c3ncc(F)cn3)CC2)CN1S(C)(=O)=O 96206049 OJHZEXLMPKTMDU-CYBMUJFWSA-N 358.439 0.883 0 40 FCAB CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)cc1 97012930 VXRWTPPTLQPBNI-HNNXBMFYSA-N 364.427 0.542 0 40 FCAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)no1 108536274 ONXJWKAYWUFWNP-LBPRGKRZSA-N 357.432 0.686 0 40 FCAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(c3cc(N(C)C)ncn3)C2)OC1 248090855 FKNXRTWTHROMBF-ZDUSSCGKSA-N 369.491 0.467 0 40 FCAB Cc1ccc(N2CC3(CC[C@@H](CNC(=O)c4cnn(C)c4)CO3)C2)nn1 248152620 UTLQUIRTONGQOS-AWEZNQCLSA-N 356.430 0.934 0 40 FCAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 248205629 AWHPEGKWPUMIRZ-IGZVQDTOSA-N 370.409 0.081 0 40 FCAB COc1cc(CN2CC[C@H](O)[C@]3(CCCO3)C2)ccc1OCC(N)=O 257233023 GNKIIQIEUFKRSW-WMZOPIPTSA-N 350.415 0.675 0 40 FCAB CN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)[C@@H]1COc2ccccc2O1 262079913 BJZIVAZDTYLLSG-DOMZBBRYSA-N 362.382 0.608 0 40 FCAB COC(=O)Cc1ccccc1NC(=O)c1nc(N)nc(N2CCOCC2)n1 517379279 ZUYKWTIPSYVTAD-UHFFFAOYSA-N 372.385 0.258 0 40 FCAB O=C(O)[C@@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)[C@H](C(=O)O)S1(=O)=O 575410714 CGTSLBOEZHNBPN-FIQHERPVSA-N 355.324 0.579 0 40 FCAB Cn1cc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCO4)n2)cn1 585149537 ZXZSKTMJDSQCJC-UHFFFAOYSA-N 361.383 0.884 0 40 FCAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCC2CCCCC2)C1 585290655 SEPSTOMZPAFAIY-MSOLQXFVSA-N 368.499 0.953 0 40 FCAB O=C(CCC(=O)N1CCN(Cc2cccnc2)CC1)N1CCC(O)CC1 677949672 WKETWADXXUZSCQ-UHFFFAOYSA-N 360.458 0.489 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5ccn(C)n5)C[C@H]4C3)nn12 1888904098 PLBCHJBEAJQTTM-CHWSQXEVSA-N 366.429 0.629 0 40 FCAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(C(=O)C3CC=CC3)CC2)[nH]1 2055713517 ZIJYCBIVTFZVLU-UHFFFAOYSA-N 368.441 0.961 0 40 FCAB COCCC(=O)N1CCC(N=c2ccn(C)[nH]2)(C(=O)N2CCCC2)CC1 2055746104 LILDUTQONDBFTL-UHFFFAOYSA-N 363.462 0.274 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O 2130507 ZNDXGRFQWAHVFG-HNNXBMFYSA-N 367.361 0.502 0 40 FCAB biogenic C[C@H](O)CNC(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6661840 SLQXCJCMRKZRIJ-ZETCQYMHSA-N 356.400 0.733 0 40 FCAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1 9995227 LTKBHNLXODJYBF-GHMZBOCLSA-N 358.489 0.788 0 40 FCAB Cn1c(=O)c2[nH]c(SCC(=O)c3ccc4c(c3)OCO4)nc2n(C)c1=O 12249829 UDIZLOQJMSFBNN-UHFFFAOYSA-N 374.378 0.664 0 40 FCAB CCN1C(=O)c2cccc3cc(S(=O)(=O)NCC(=O)O)cc(c23)C1=O 12275483 KBWFEIIHIJKJBP-UHFFFAOYSA-N 362.363 0.819 0 40 FCAB Cn1ccnc1[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1 12547949 ALXOMQMGEPKBLQ-OAHLLOKOSA-N 357.345 0.315 0 40 FCAB CCn1nnc2c(N3CCN(S(=O)(=O)c4cccnc4)CC3)ncnc21 13534558 CDKRKBGPDFTJBY-UHFFFAOYSA-N 374.430 0.147 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NC[C@@H]1CCCO1 13580937 YQTHAEBGDFAUJX-LBPRGKRZSA-N 360.407 0.750 0 40 FCAB CC(C)CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 14114198 JSLSLPIAVUMJGM-ZDUSSCGKSA-N 374.484 0.538 0 40 FCAB O=C(Cc1cn2ccsc2n1)NCc1cc(=O)[nH]c(N2CCCC2)n1 19406400 DABASSRWLMNAQW-UHFFFAOYSA-N 358.427 0.938 0 40 FCAB c1ccc2c(c1)nc1n2CN(CCN2CCOCC2)CN1n1cnnc1 20637283 XXFIGDZJCQSMKL-UHFFFAOYSA-N 354.418 0.460 0 40 FCAB c1cncc([C@@H]2N=C3NCN(n4cnnc4)CN3c3nc4ccccc4n32)c1 20638702 STUBCOWQZOTAPY-MRXNPFEDSA-N 372.396 0.902 0 40 FCAB Cn1nnnc1SCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 22066832 ZDBURHNQRPQHBQ-UHFFFAOYSA-N 363.371 0.937 0 40 FCAB CCCNC(=O)[C@@H](C)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 23652923 NBNZZDGYBUANNX-GFCCVEGCSA-N 356.448 0.429 0 40 FCAB O=C(c1cccnc1S)N1CCN(S(=O)(=O)c2cccnc2)CC1 29965745 FEZFNKUXZYAZLW-UHFFFAOYSA-N 364.452 0.912 0 40 FCAB CC1CCC(N(C)C(=O)CS(=O)(=O)Cc2nnnn2C2CC2)CC1 32929889 JXKZRMZEPWQFFD-UHFFFAOYSA-N 355.464 0.960 0 40 FCAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]n1 42653296 VMCQRMFCMOIYPN-UHFFFAOYSA-N 350.400 0.991 0 40 FCAB Cc1nc(C)c(CC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c(=O)[nH]1 51290889 HYBGLTCFNSJPIQ-UHFFFAOYSA-N 370.457 0.392 0 40 FCAB CCN(CC(=O)NCc1cccs1)Cc1cc(=O)n(C)c(=O)n1C 57373559 KFHIMAALLCGLON-UHFFFAOYSA-N 350.444 0.284 0 40 FCAB Cc1cc(C(=O)NC[C@H](C)Cn2ccnc2C)nc2nc(O)[nH]c(=O)c12 72997375 GAOGULBOKBCFOK-VIFPVBQESA-N 356.386 0.903 0 40 FCAB COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(O)(CN2CCOCC2)CC1 95983427 DBFQHRPMDMHBFM-HNNXBMFYSA-N 371.478 0.443 0 40 FCAB O=C(O)c1ccc(NCCCO)c(S(=O)(=O)NC[C@H]2CCCO2)c1 217498636 PLPGMUNOKGBMEN-GFCCVEGCSA-N 358.416 0.636 0 40 FCAB CC(=O)N1CCC(C(=O)N2CC[C@@H](Oc3cncc(N(C)C)n3)C2)CC1 225399322 ILTHSYJJGLSMBT-OAHLLOKOSA-N 361.446 0.781 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1cc(C)no1)CC2 253600189 JEDKSXJSGJMQPU-CYBMUJFWSA-N 371.459 0.743 0 40 FCAB CC(C)c1nccn1CCC(=O)N1CC[C@](O)(CN2CCOCC2)C1 257322873 WHUBIBKVSDCDES-SFHVURJKSA-N 350.463 0.692 0 40 FCAB CC(=O)N1CCC(c2nnc3n2C[C@H](C(=O)N2CCN(C)CC2)CC3)CC1 306126176 DOWGMXHYFUMMCQ-MRXNPFEDSA-N 374.489 0.340 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)cc1 575421202 ILLIIPSFMWAZCK-OAHLLOKOSA-N 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373.453 0.731 0 40 FCAB CC(=O)[C@H](C)n1c(CN2C[C@H](C)O[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 12529602 OSRCOTWWVHVXDX-AXFHLTTASA-N 363.418 0.183 0 40 FCAB Cn1c(N)c(C(=O)CN2CC=C(c3ccccc3)CC2)c(=O)n(C)c1=O 12909966 YWGDRGVAXSMNHJ-UHFFFAOYSA-N 354.410 0.638 0 40 FCAB C[C@@H]1C[C@@H]1c1ccc(CN(C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 17523923 DZISXMYIXSPLQO-PWSUYJOCSA-N 360.414 0.697 0 40 FCAB CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929819 CAQJSRZKVBGGIV-UHFFFAOYSA-N 356.444 0.873 0 40 FCAB CCOc1ccc(OC[C@H](O)CN2CCN(S(C)(=O)=O)CC2)cc1 32490601 GDUMYRLPGJLXSP-CQSZACIVSA-N 358.460 0.402 0 40 FCAB O=C1COc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)O)c(Cl)cc2N1 32917768 MCBYJVLDLWVYOX-VIFPVBQESA-N 360.775 0.909 0 40 FCAB CCCN(Cc1ccc(C)cc1)C(=O)CN1CCN(S(N)(=O)=O)CC1 40049884 BGKKYOHZKXKJQV-UHFFFAOYSA-N 368.503 0.555 0 40 FCAB Cn1c(=O)c2c(n(C)c1=O)n1c(=O)[nH]nc1n2C/C=C/c1ccccc1 40555393 VTCFAEKPDLUBJV-RMKNXTFCSA-N 352.354 0.088 0 40 FCAB CN(C(=O)Cn1nc(-c2cccs2)ccc1=O)[C@@H]1CCS(=O)(=O)C1 44891336 RIVQXJLSGHOSOR-LLVKDONJSA-N 367.452 0.617 0 40 FCAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)C(=O)N1CCOCC1 58202225 KGUCRYQOVDCIOI-ZDUSSCGKSA-N 358.398 0.858 0 40 FCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NC[C@H]1C[C@@H]2C=C[C@H]1C2 72400626 ALDGCRXKXYUJFW-OWCLPIDISA-N 370.457 0.637 0 40 FCAB COc1ccc(CCNC(C)=O)cc1S(=O)(=O)NC[C@@H]1CCCO1 95454110 MQDVDNMTNVECTF-AWEZNQCLSA-N 356.444 0.831 0 40 FCAB Cc1cccc(C(=O)N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)n1 96050388 YGQXTOJYMQUCQU-IBGZPJMESA-N 368.441 0.687 0 40 FCAB O=C([C@H]1CCCO1)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96074872 AAUJNMVJDYEQEX-RHSMWYFYSA-N 350.394 0.993 0 40 FCAB O=c1c(NCCN2CCOCC2)c(N2CCN(c3ccccc3)CC2)c1=O 101693534 WSMGWUDOEPJBMO-UHFFFAOYSA-N 370.453 0.353 0 40 FCAB C[C@H](C(=O)N1CCN(C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957579 BLZLNNSZICLLDQ-LLVKDONJSA-N 361.414 0.893 0 40 FCAB CNC(=O)C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn21 247963515 RLPKZFZKVHHIHS-AWEZNQCLSA-N 356.382 0.874 0 40 FCAB Cc1nc(C(=O)N2CC3(C2)OCC[C@@H]3CCNS(C)(=O)=O)cs1 248010972 GDYIKNWHZDMHDQ-NSHDSACASA-N 359.473 0.622 0 40 FCAB CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)c1n[nH]c2c1CCCC2 257207039 BGBYKFUBAWQVBA-SFHVURJKSA-N 356.430 0.792 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cc(-c3ccnn3C)ncn2)C1 257273804 NIGMNYRUTJZRQV-GFCCVEGCSA-N 350.448 0.548 0 40 FCAB COc1ccc(CC(=O)N2CCN(C)C[C@@](O)(Cn3ccnc3C)C2)cc1 257343236 ZSBAICIMPMRVRY-HXUWFJFHSA-N 372.469 0.948 0 40 FCAB CC(C)Cn1nc2n(c(=O)c1=O)C[C@]1(CCN(C(=O)c3ccco3)C1)OC2 306123734 AUXDEVONCWZEIM-GOSISDBHSA-N 374.397 0.469 0 40 FCAB Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@@H](CN3CCCC3)C2)c1 306131826 KQJZYQIXUJYREN-AWEZNQCLSA-N 350.448 0.458 0 40 FCAB COCC(=O)N(C)CC(=O)N(Cc1nccs1)[C@H]1CC12CCNCC2 572161365 HGBBUOOINNHPOR-ZDUSSCGKSA-N 366.487 0.719 0 40 FCAB O=C(NCC[C@@H]1CCOC12CN(C(=O)c1cnccn1)C2)c1ccncc1 575402664 DSECRFSKFJTEFG-OAHLLOKOSA-N 367.409 0.923 0 40 FCAB C[C@@H]1C[C@@H](C)N(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)C[C@H]1CN 584285865 ASLMSWBRMVQNJM-IJLUTSLNSA-N 361.446 0.021 0 40 FCAB CCCS(=O)(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585095867 RBYKTAQQECUASZ-CQSZACIVSA-N 356.448 0.924 0 40 FCAB C[C@]1(C(=O)NCCO)CCCN1Cc1ccc(OCCOCCO)cc1 585269879 OCHQLFSSHXNZMS-LJQANCHMSA-N 366.458 0.537 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(S(=O)(=O)c2cccc3c2OCC3)C1 643696449 SYNYPMGTXCODQU-MRXNPFEDSA-N 354.428 0.273 0 40 FCAB O=C(CN1CCCC[C@@H](O)C1=O)NCc1cccc(Cn2cccn2)c1 644323854 RQXRSTSBLZYSIJ-QGZVFWFLSA-N 356.426 0.921 0 40 FCAB CCN1CCO[C@@H](CNS(=O)(=O)c2ccco2)[C@@H]1c1cnn(C)c1 657120093 LORZNEMHTLQLMQ-ZFWWWQNUSA-N 354.432 0.753 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)CCc3ccccc3F)C[C@@H]2C1 1614927739 BELMESYWRYKZCY-GDBMZVCRSA-N 370.446 0.877 0 40 FCAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)C2CC(O)C2)Cc2ncnn2C1 1614933741 QKQZAQLFDSSQHZ-OWYJLGKBSA-N 355.398 0.646 0 40 FCAB C[C@@H]1OC2(CCN(C(=O)c3ccc(-c4ncn(C)n4)cc3)CC2)NC1=O 1615588326 BPFPUUHRMNYFDV-LBPRGKRZSA-N 355.398 0.949 0 40 FCAB Cn1c(O)nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1=O 1775967259 KFDJLOYXVFDYDT-UHFFFAOYSA-N 368.390 0.136 0 40 FCAB C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)n1cncn1 4733088 URJGXOLQZHMICG-AWEZNQCLSA-N 363.443 0.762 0 40 FCAB CCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 4942266 DGVXXDRRBLQZLR-UHFFFAOYSA-N 362.411 0.765 0 40 FCAB COC(=O)c1c(NC(=O)C(=O)NCCO)sc2c1CC(C)(C)OC2 6719548 JSKDFXWWAXCCPU-UHFFFAOYSA-N 356.400 0.433 0 40 FCAB CCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3CC(=O)OC)n(C)c1=O 10330368 LPETZPAUFHMHOK-JTQLQIEISA-N 362.390 0.237 0 40 FCAB O=S(=O)(c1cccs1)N1CCN(c2ncnc3[nH]cnc23)CC1 12323845 ZNQBXQKADMJWKI-UHFFFAOYSA-N 350.429 0.925 0 40 FCAB COC(=O)/C=C(\C(=O)OC)N1CCN(C(=S)c2ccccc2O)CC1 12420694 JILJKCSFULVHTQ-ACCUITESSA-N 364.423 0.915 0 40 FCAB Cc1cccc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1C 13673912 VQPNRXGLAOLRPW-UHFFFAOYSA-N 353.444 0.370 0 40 FCAB O=C1CCCN1CC(=O)N1[C@H]2CC[C@@H]1Cc1nc(N3CCOCC3)ncc12 19292459 NUXNUEVHBQJXJG-CJNGLKHVSA-N 371.441 0.524 0 40 FCAB CC(C)CNC(=O)CC[C@H]1NC(=O)[C@@H](CCC(=O)NCC(C)C)NC1=O 32922282 VKEQLKHEUZREOA-ZIAGYGMSSA-N 368.478 0.074 0 40 FCAB Cn1c(CN2CCOCC2)c(C(=O)c2ccc(F)cc2)c(=O)n(C)c1=O 36559030 ABPOUYREZFRTGE-UHFFFAOYSA-N 361.373 0.286 0 40 FCAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1 45866033 KZVHFJVXXRKALD-UHFFFAOYSA-N 354.409 0.990 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 53324562 AMOSFFGIAKCGFI-LBPRGKRZSA-N 358.847 0.995 0 40 FCAB CCCCS(=O)(=O)N(C)CC(=O)NCc1cc(C)nc(N(C)C)n1 224234691 LKCQMLHJXPUCPX-UHFFFAOYSA-N 357.480 0.529 0 40 FCAB O=C(Cn1ncccc1=O)NCc1nnc2c(C(F)(F)F)cccn12 225809115 YPYQPDFXDKJEFQ-UHFFFAOYSA-N 352.276 0.621 0 40 FCAB O=C(CCCCCO)NCCC[C@H](NC(=O)CCCCCO)C(=O)O 247385486 KCOVSUWXBALFEH-AWEZNQCLSA-N 360.451 0.558 0 40 FCAB COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCn3nccc3C2)c1 253473156 RUNZQZOSZXPVTJ-GFCCVEGCSA-N 365.411 0.972 0 40 FCAB O=C(CN1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1)N1CCCCC1 257305189 SOTUXTBLZRZKQM-HOTGVXAUSA-N 351.447 0.090 0 40 FCAB CN(C)C(=O)Cn1cnc(NC(=O)C2CCN(CC(F)(F)F)CC2)n1 330892366 XVVDCRRAHXZDJT-UHFFFAOYSA-N 362.356 0.579 0 40 FCAB CN(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709709 WGLWCRIQQGOXMW-UHFFFAOYSA-N 358.398 0.826 0 40 FCAB COC(=O)[C@@H](C)NC(=O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 504523068 IGQDXISHNSSXBC-CYBMUJFWSA-N 365.405 0.932 0 40 FCAB Cn1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](O)C3)c[nH]2)n1 521396887 PIHWZKPDJWDIOQ-SNVBAGLBSA-N 353.404 0.146 0 40 FCAB O=C(NCc1cccs1)C(=O)NCC1CCN([C@H]2CCOC2)CC1 575415718 XCVOYOCMCIPQQU-AWEZNQCLSA-N 351.472 0.981 0 40 FCAB CC(C)(C)OC(=O)N1CC[C@@](O)(Cn2cnc3c(N)ncnc32)[C@H](O)C1 585263058 XYXXRFUPWDONQK-QLJPJBMISA-N 364.406 0.141 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCc2nc(N(C)C)ncc2C1 606440792 QTZDGPSMUJTSHB-GFCCVEGCSA-N 351.432 0.983 0 40 FCAB CCn1nc(C)c(S(=O)(=O)N2CCC[C@@]2(COC)C(=O)NC)c1C 643705654 XYOCTIIGGDJQBT-OAHLLOKOSA-N 358.464 0.436 0 40 FCAB COc1ccccc1C(=O)N1CCO[C@@H](CN(CC(=O)O)C(C)=O)C1 681942795 QEJGCRLZIDLABU-CYBMUJFWSA-N 350.371 0.469 0 40 FCAB O=C(CCc1cncnc1)N1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCC2)C1 1565547666 RIOZIBLBIBUGGF-YESZJQIVSA-N 358.442 0.895 0 40 FCAB CN(C)c1ccnc(N2CCN(c3ncccc3S(C)(=O)=O)CC2)n1 1889111305 AYNOEDIUNWAHQO-UHFFFAOYSA-N 362.459 0.668 0 40 FCAB COc1nc(OC)nc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086889456 DDENOFGZTGNACJ-SNVBAGLBSA-N 357.436 0.282 0 40 FCAB COCCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccncc1 2626751 JROLXYOIXHWKJN-UHFFFAOYSA-N 363.443 0.937 0 40 FCAB COC(=O)c1ccc2c(=O)n3c(nc2c1)S[C@@H]1CS(=O)(=O)C[C@H]13 3906997 BDCRGOOXAQXNEW-GHMZBOCLSA-N 352.393 0.627 0 40 FCAB OC[C@@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 4257487 MRPKNNSABYPGBF-ZCTGUTNYSA-N 357.370 0.050 0 40 FCAB biogenic,in-vitro C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NC2CC2)C1=O 5263369 CBUAXTYAHQEZSW-SFHVURJKSA-N 359.382 0.894 0 40 FCAB Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)N3CCCC3)[C@H](O)[C@@H]2O)cc1 8643416 ZECVWCDAGZGKGC-CIRFHOKZSA-N 362.426 0.227 0 40 FCAB biogenic,in-vitro Cc1cc(NC(=O)C(=O)NC2CCCC2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9038786 BUDTWINWNNYSNC-UHFFFAOYSA-N 358.402 0.878 0 40 FCAB COCCOCCCNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 9314475 OYTPQFMZZNAYFX-UHFFFAOYSA-N 369.443 0.285 0 40 FCAB NC(=O)c1nc([C@H]2CCOC2)nc2c1[nH]c(=O)n2CCc1ccccc1 12145955 BVEPAOVJOLLCBL-LBPRGKRZSA-N 353.382 0.965 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(I)cc1 12983210 NXBZKSRFLHMUSV-UHFFFAOYSA-N 371.134 0.780 0 40 FCAB CCN(C(=O)[C@H](C)OC(=O)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 14239637 INNXWUPMFYWQRZ-NWDGAFQWSA-N 358.416 0.872 0 40 FCAB CCCc1n[nH]c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1 21726976 DOBSZGKPZFCPHW-SSDOTTSWSA-N 352.420 0.100 0 40 FCAB O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(CCO)CC1 22664609 JQJHGJRCZNCARJ-AWEZNQCLSA-N 366.849 0.765 0 40 FCAB NC(=O)CCS(=O)(=O)CCN1CCC(NC(=O)c2ccccc2)CC1 25827222 OZCNEAREPSNGKF-UHFFFAOYSA-N 367.471 0.171 0 40 FCAB CC[C@]1(C)NC(=O)N(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)C1=O 26805971 DZOBGSHTIVYCKI-RYUDHWBXSA-N 366.201 0.865 0 40 FCAB CCCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C 32841650 YMNNTYDQRYNQBO-GFCCVEGCSA-N 370.475 0.454 0 40 FCAB O=C(CNC(=O)Cn1cnc2ccccc2c1=O)NCc1cccnc1 40266488 FVUBZBGWXQMHTG-UHFFFAOYSA-N 351.366 0.224 0 40 FCAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(C(=O)O)cc1 45896122 IUNNBWDEZWFVMO-CYBMUJFWSA-N 359.342 0.850 0 40 FCAB COC(=O)N1CCN(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)CC1 56833419 MAZNDQRIIRGPKG-UHFFFAOYSA-N 366.393 0.958 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H]2OCC[C@@]2(COCc2cccnc2)C1 96110401 CAFLMHHCLGRZNF-CVEARBPZSA-N 355.460 0.886 0 40 FCAB CN1CCN(c2c(N3CCN(c4ccc(F)cc4)CC3)c(=O)c2=O)CC1 101702841 ZEWKELGEMMHDPX-UHFFFAOYSA-N 358.417 0.500 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)CC1 225454309 QIGGLSYEYIBNJW-CQSZACIVSA-N 368.459 0.518 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)NCCn1nnc2ccccc2c1=O 225797242 CRFRDOQPYJFKFP-UHFFFAOYSA-N 365.349 0.516 0 40 FCAB Nc1ncnc2c1ncn2[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)C[C@H]1O 257225491 FGMDQEWLISTPNP-CHWSQXEVSA-N 364.369 0.343 0 40 FCAB COc1ccccc1CCC(=O)N1CCN(C(C)=O)C[C@@H]1C(=O)N(C)C 257277890 NZXRHEGTUAJOMS-MRXNPFEDSA-N 361.442 0.775 0 40 FCAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2ncccn2)CCO1 585282934 JWOCCKCJHBVSGL-SFHVURJKSA-N 374.372 0.781 0 40 FCAB CCN(C(=O)/C=C/c1ccc(OC)c(OC)c1)[C@@H]1COC[C@@H](O)[C@H]1O 585286957 PDSCKZYAGLVRGI-OGYGEYTFSA-N 351.399 0.686 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)CCO1 653552939 OZSFANMDTNQXQO-OAHLLOKOSA-N 374.397 0.266 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C3(c4ccccc4)CCC3)C2)C1 685941227 AQSNRRLQHWQWEJ-AWEZNQCLSA-N 355.438 0.914 0 40 FCAB O=C1CN(S(=O)(=O)CCc2ccccc2)CCN1c1ncc(F)cn1 1565523591 TYNNCNHNLFCGAP-UHFFFAOYSA-N 364.402 0.837 0 40 FCAB O=C(c1cc[nH]n1)N1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1 1565549602 VKHLINJGKCHUGC-DYVFJYSZSA-N 359.386 0.057 0 40 FCAB Cn1c(C(=O)N2CCCn3nnc(Cn4cccn4)c3C2)cccc1=O 1565550269 WWXJYJNKEBEIIT-UHFFFAOYSA-N 353.386 0.268 0 40 FCAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)c3ncn(C)n3)C2)CC1=O 1614940189 HSXARDGSINXLJR-KRWDZBQOSA-N 358.402 0.685 0 40 FCAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCCO 4488097 GOZCJPYJAZUVNJ-UHFFFAOYSA-N 356.444 0.657 0 40 FCAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)NC1CCCC1 5039140 QGVMQFCDRVFIMM-JTQLQIEISA-N 370.427 0.947 0 40 FCAB CCN(CC)C(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 5366877 SXXTULGDSICEBZ-UHFFFAOYSA-N 367.427 0.527 0 40 FCAB C[C@H](O)CNC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 6294997 UBFMFZPUWSJVFT-JTQLQIEISA-N 359.411 0.698 0 40 FCAB CCOCCCNC(=O)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 6654257 GBQXHPNQHQLRLO-UHFFFAOYSA-N 354.407 0.494 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)c2cnn(-c3ccccc3)n2)cc1 7813458 XQPQZHDTGPKUTB-UHFFFAOYSA-N 371.422 0.887 0 40 FCAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccncc1 12515897 RQXJINDOWXFMTP-UHFFFAOYSA-N 364.427 0.371 0 40 FCAB CCN1CCN2c3cccc(Cl)c3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1 16993824 BAUZRTHILQFXID-ZDUSSCGKSA-N 362.817 0.759 0 40 FCAB O=C1CCCc2c1cnc1c2c(=O)[nH]c(=O)n1CCCN1CCOCC1 19818734 ODRFYKUVXDFVLJ-UHFFFAOYSA-N 358.398 0.326 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nc2ccccc2[nH]1 20800231 ISWRZSIVHDPBNC-GFCCVEGCSA-N 362.411 0.545 0 40 FCAB O=C(NCc1nnc2n1CCC2)c1cccc(N2CCCS2(=O)=O)c1 22192360 YIURINYRFWWVFM-UHFFFAOYSA-N 361.427 0.694 0 40 FCAB COC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 26455796 PTBKCVXBXWJRTQ-MRXNPFEDSA-N 361.398 0.808 0 40 FCAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1OCC 32876754 XJBVGTOVRDYWCZ-LLVKDONJSA-N 365.386 0.593 0 40 FCAB Cn1cc(S(=O)(=O)Nc2cccc(N3CCOC3=O)c2)cc1C(N)=O 40072760 PEVISWNZGNIKJT-UHFFFAOYSA-N 364.383 0.881 0 40 FCAB Cc1ccc(CN(Cc2nc(C(=O)O)cc(=O)[nH]2)S(C)(=O)=O)cc1 49470171 ZYGKDUFXALBPCX-UHFFFAOYSA-N 351.384 0.738 0 40 FCAB COC(=O)CNC(=O)c1cccc(NC(=O)CCNC(=O)[C@@H]2C[C@H]2C)c1 53354953 AZJMQISYALVXPI-BXUZGUMPSA-N 361.398 0.690 0 40 FCAB Cc1nnnn1-c1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 71286704 MZMZDCZCVCQAIR-UHFFFAOYSA-N 372.410 0.548 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102403006 ONSKMYMBQFYOGD-KCQAQPDRSA-N 364.423 0.706 0 40 FCAB O=C(CC1CCCC1)N[C@@H]1CC[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O 257289033 PWSASBHLDBHZFY-CZPYZCIJSA-N 351.403 0.071 0 40 FCAB Cc1cc(S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)ccc1F 575618396 HNIZYTGGISIPTL-UHFFFAOYSA-N 370.402 0.673 0 40 FCAB Cc1nccc(N2CCC(Cn3nc(-n4cncn4)ccc3=O)CC2)n1 585500861 RHHURXBCAOHSBC-UHFFFAOYSA-N 352.402 0.839 0 40 FCAB COCCn1cc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cn1 661127012 HHGATUUSNFJKFD-HNNXBMFYSA-N 357.414 0.916 0 40 FCAB O[C@H]1CO[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1NCc1ccccc1 1549161512 LNJGIMUOXGZMOE-IPMKNSEASA-N 373.457 0.028 0 40 FCAB CC1(C)CC[C@H](O)[C@]2(C)[C@H]3Cc4occc4[C@@](C)(O)[C@H]3[C@@H](O)[C@H](O)[C@@]12O 1772820278 UEXXTJMWLNVGOF-HPQPVWJMSA-N 366.454 0.929 0 40 FCAB biogenic Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCOCC4)cnc32)cc1 807135 CPTPWKGOEMOCEV-UHFFFAOYSA-N 353.382 0.749 0 40 FCAB CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(C)=O)C1 3841390 NVXABWSZJMBYKY-QWHCGFSZSA-N 353.444 0.966 0 40 FCAB biogenic,in-vitro COCCNC(=O)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1 4337126 ZFVNSHDEZHEZCC-ZDUSSCGKSA-N 369.805 0.017 0 40 FCAB OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(c1ccc(F)cc1)c1ccc(F)cc1 4962266 CRZNRNBMYIQRKO-BGTYHANMSA-N 354.349 0.533 0 40 FCAB CC[C@@H](C)N(C(=O)COC(=O)c1nccnc1N)[C@H]1CCS(=O)(=O)C1 5231188 KJPYLAVGBNYOSE-MNOVXSKESA-N 370.431 0.030 0 40 FCAB CCn1cc([C@@H]2C[C@@H](C(=O)NC3CCCC3)N(C)S(=O)(=O)N2)c(C)n1 12130521 OZUFSLOEIGIFSJ-GJZGRUSLSA-N 369.491 0.850 0 40 FCAB O=C(CCn1ccnc1)N1CCc2c(O)nc(-c3cnccn3)nc2C1 12221943 DNOKXFMOGIODND-UHFFFAOYSA-N 351.370 0.811 0 40 FCAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCC(=O)O 12889925 YADRWJIIAAQRHW-BMIGLBTASA-N 362.386 0.770 0 40 FCAB biogenic Nc1nnc2nc(CC(=O)c3ccccn3)/c(=C\C(=O)c3ccccn3)n12 17142980 DCMXWVXFRHEIJE-GXDHUFHOSA-N 359.349 0.304 0 40 FCAB CNc1nc(C2CCNCC2)nc2c1CCN(S(=O)(=O)N(C)C)C2 19711358 JNNPGEQELHKNTF-UHFFFAOYSA-N 354.480 0.150 0 40 FCAB COCCN1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1 23127341 CVYSMXKKUNNXAM-UHFFFAOYSA-N 363.414 0.828 0 40 FCAB CN(Cc1nnc2n1CCC2)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 32876314 AOZNSZWMIRJFNB-UHFFFAOYSA-N 361.427 0.930 0 40 FCAB CCCn1nnnc1Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 39983588 LFDBFOKUXJBRPG-UHFFFAOYSA-N 352.420 0.078 0 40 FCAB O=C1NC2(CCOCC2)C(=O)N1C[C@H](O)COCc1ccccc1F 69167993 LWBYLAURWOIMRI-ZDUSSCGKSA-N 352.362 0.804 0 40 FCAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2nccn2C)C3)C[C@H](C)O1 72335576 HFWHTIYKUNDYOP-STQMWFEESA-N 358.446 0.675 0 40 FCAB Cc1oncc1C(=O)N1CCO[C@]2(COCCN(c3ncccn3)C2)C1 96229491 SCVYWKHGRJCFGQ-QGZVFWFLSA-N 359.386 0.521 0 40 FCAB COCC(=O)N1CCC2(CC1)[C@@H]1CN(c3ncccn3)C[C@@H]1C(=O)N2C 96262244 RBWZBLZACVBVAO-UONOGXRCSA-N 359.430 0.009 0 40 FCAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccc(F)cc1F 96316514 SFHHWVOPORIVMX-ZDUSSCGKSA-N 373.425 0.708 0 40 FCAB O=C1CCC(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)=NN1 225735045 XBFBRHKORZBMDD-UHFFFAOYSA-N 356.430 0.706 0 40 FCAB O=C1CCC[C@]2(CN(CC(=O)N3CCNC3=O)C[C@H]2c2ccccc2)N1 257232732 GMDLCHVONGUKDH-HNAYVOBHSA-N 356.426 0.677 0 40 FCAB CN(CC(=O)N1CCC[C@H](C(=O)O)C1)C(=O)c1ccc2c(c1)nnn2C 262264063 XBXHDQGBYSQTHP-LBPRGKRZSA-N 359.386 0.364 0 40 FCAB CC(=O)OC(C)(C)C(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O 575611901 HYLVAVQOPKUAOV-UHFFFAOYSA-N 373.406 0.785 0 40 FCAB COc1ccc2nnc(CNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)n2n1 585149286 GECAFGUREBRCES-LBPRGKRZSA-N 366.381 0.802 0 40 FCAB CNC(=O)CC[C@]1(O)CCCN(CC(=O)NCc2cccc(F)c2)C1 585279825 ZJQKIOWOOXRZTP-GOSISDBHSA-N 351.422 0.795 0 40 FCAB O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@]2(O)CCCOC2)n1 656694404 LPLVZQXYXMRZNK-QGZVFWFLSA-N 357.370 0.053 0 40 FCAB CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(c2ccncc2Cl)CCO1 662891686 OZLJGFCCVDGLQS-SNVBAGLBSA-N 363.823 0.286 0 40 FCAB CS(=O)(=O)N1CCO[C@H]2CN(C(=O)Cc3cccc(F)c3F)C[C@H]21 1565548244 VXWPAOLDMMQVAO-OLZOCXBDSA-N 360.382 0.379 0 40 FCAB NC[C@@H](NC(=O)Cn1cnc2c1CCNC21CCOCC1)C1CCCC1 1615549014 GERKHLCTLDGWSF-OAHLLOKOSA-N 361.490 0.668 0 40 FCAB CN(C)c1ccnc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)n1 1889110045 OFNNUIMSIBMJPN-UHFFFAOYSA-N 370.461 0.496 0 40 FCAB CN(C)C(=O)[C@@H]1C[C@]2(CO1)CN(c1cc(C(F)(F)F)ncn1)CCO2 2056226009 HPPZKMIQXRIGGH-IINYFYTJSA-N 360.336 0.948 0 40 FCAB O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 922560 QETWPTJKVPOPLN-CYBMUJFWSA-N 374.484 0.928 0 40 FCAB COc1cc(C(=O)NC(=S)NN2CCN(C)CC2)cc(OC)c1OC 3179089 ULBFNYIIAKORIQ-UHFFFAOYSA-N 368.459 0.479 0 40 FCAB Cn1c(=O)c2nc(SCC(=O)OCc3ccccc3)n(C)c2n(C)c1=O 4571036 SZCPUGMJEXUCIS-UHFFFAOYSA-N 374.422 0.806 0 40 FCAB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(N)=O 6959374 KSIIAEWEMMICBR-UHFFFAOYSA-N 367.745 0.352 0 40 FCAB CC(=O)N1C[C@@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)Oc2ccccc21 8232965 OBNGTUOSLYPJGY-HOCLYGCPSA-N 352.412 0.494 0 40 FCAB CC(=O)NCCNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 9575801 ISHCXCUDKACPQM-AWEZNQCLSA-N 369.443 0.010 0 40 FCAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2cccs2)C1=O 10803539 PRQQILDCQZSSGD-QGZVFWFLSA-N 372.406 0.976 0 40 FCAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc2nnnn2n1 12914664 WRXJWXDCEAKMJA-LLVKDONJSA-N 366.385 0.719 0 40 FCAB COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15331922 AYJZOGFXIIBWJM-LLVKDONJSA-N 367.427 0.441 0 40 FCAB O=C(NCc1ccccc1)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 16102821 GURNFACOZFXKCA-UHFFFAOYSA-N 370.409 0.092 0 40 FCAB CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 19889807 LINGCXPRGYILQP-OAHLLOKOSA-N 351.472 0.861 0 40 FCAB C[C@@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 22228227 GCMSCGKYMYVKMK-CHWSQXEVSA-N 355.460 0.102 0 40 FCAB O=C(NCC(=O)N1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccon1 23127880 CJHMGDUAWGXBAD-ZDUSSCGKSA-N 358.354 0.329 0 40 FCAB COC(=O)[C@H](C)N(C(=O)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 32641365 QXUBNKIWNCCCMV-SMDDNHRTSA-N 357.403 0.945 0 40 FCAB CN(C)S(=O)(=O)c1ccc(CCc2ncc(CC(=O)O)c(=O)[nH]2)cc1 49468675 UOCSPNRMXWKNAR-UHFFFAOYSA-N 365.411 0.433 0 40 FCAB CCN(CC(=O)NC(C)C)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 53638149 MJEIMZLOWVCTCS-UHFFFAOYSA-N 360.414 0.453 0 40 FCAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 72369570 XVKGMZOXQUQZHF-NSHDSACASA-N 351.432 0.875 0 40 FCAB C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCSC[C@@H]1CO 95456422 GNGRDOUFZVAPDN-ZJUUUORDSA-N 350.487 0.351 0 40 FCAB O=C1[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)CCCN1CCO 97096148 KUEIQXZFTBLXTN-ZDUSSCGKSA-N 370.427 0.110 0 40 FCAB C[C@@H](NC(=O)NC(=O)CSc1nc(N)nc(N)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 103118534 TYTOOKWAQOLAKV-ZYUZMQFOSA-N 365.463 0.779 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 105634307 AWCWGQONKOZCJX-IUODEOHRSA-N 365.405 0.709 0 40 FCAB Cn1nc2c(c1CNS(=O)(=O)c1ccc(OCC(N)=O)cc1)CCC2 225819441 DFKNEMSZBFGQBX-UHFFFAOYSA-N 364.427 0.251 0 40 FCAB COCCN1C(=O)CN(C2CCN(C(=O)c3snnc3C)CC2)C1=O 253405913 TYWCIUZGBHIFNA-UHFFFAOYSA-N 367.431 0.362 0 40 FCAB O=C(CN1CCOCC1)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257279863 OIMLSJUCQSZEDZ-OAHLLOKOSA-N 359.430 0.079 0 40 FCAB C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)CCN1Cc1ccccc1 333485911 IBLUGODUHBQYHJ-UBDQQSCGSA-N 372.469 0.948 0 40 FCAB Cn1cc(C[C@@H](CNS(=O)(=O)c2cccc3c2OCO3)C(=O)O)cn1 563899881 BIMOXZGURAXYLL-NSHDSACASA-N 367.383 0.371 0 40 FCAB CN(C)C(=O)COCC[C@H]1CO[C@H]2CN(C(=O)c3cccc(O)c3)C[C@@H]12 575405126 SEYVEXIYOMDFCI-XIRDDKMYSA-N 362.426 0.974 0 40 FCAB CS(=O)(=O)N[C@H]1CCc2onc(CNC(=O)C3CC(F)(F)C3)c2C1 2055729826 QWJXXGWKLAEJQH-VIFPVBQESA-N 363.386 0.743 0 40 FCAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(S(C)(=O)=O)C1 2055747747 SGPURULEQGMAOM-HNNXBMFYSA-N 359.423 0.404 0 40 FCAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 2055772629 HBCJOQZHNFBYSN-PNVOZDDCSA-N 371.437 0.596 0 40 FCAB O=C(c1cc[nH]n1)N1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 2055794494 VKHLINJGKCHUGC-SUMWQHHRSA-N 359.386 0.057 0 40 FCAB O=C(O)CSC(=S)N1CCN(C(=S)SCC(=O)O)CC1 1686711 DWMIVTUQXUDODL-UHFFFAOYSA-N 354.500 0.809 0 40 FCAB in-vivo O=C(Cn1nnc2ccccc2c1=O)N1CCN(C(=O)c2ccco2)CC1 2932929 FWKCZIWWDADZGZ-UHFFFAOYSA-N 367.365 0.369 0 40 FCAB CN(C)C(=O)CN1C(=S)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 9422011 IZXKEFFVCSWISA-QWHCGFSZSA-N 353.469 0.347 0 40 FCAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(C(=O)c2ccco2)CC1 15088624 GIVREQWFGRFBSH-UHFFFAOYSA-N 366.381 0.918 0 40 FCAB NC(=O)c1ccsc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 16583595 NIEMFBLAEDMDFH-UHFFFAOYSA-N 365.392 0.630 0 40 FCAB CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2ccccc2F)C1=O)C(=O)O 16899855 NJEYIEBTIVHXNV-PWSUYJOCSA-N 354.359 0.780 0 40 FCAB CN1CCN(CCCN2CC(=O)N3Cc4ccccc4CN3C(=O)C2)CC1 19364786 HVAVMBNEEOXCRG-UHFFFAOYSA-N 371.485 0.226 0 40 FCAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1)N1CCOCC1 30595695 QQMCNMHFOUWLEU-AWEZNQCLSA-N 360.382 0.977 0 40 FCAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1cccc(N2CCCC2=O)c1 32858320 PIVKXBLHKMUBLJ-UHFFFAOYSA-N 370.365 0.705 0 40 FCAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccn(C)n2)c1 32900136 NWYFMYVLXHEHDC-UHFFFAOYSA-N 352.416 0.906 0 40 FCAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC2CC2)cc1C 54093182 WVQBBERDRJBLPK-ZFWWWQNUSA-N 359.469 0.695 0 40 FCAB CN1C[C@@H](C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)CC1=O 72326879 ONPSJKQHKHGLRJ-VVILHGPQSA-N 368.437 0.885 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)Nc1cc(N2CCOCC2)ncn1 75166260 VOWWDFXRGMSCFZ-UHFFFAOYSA-N 366.381 0.662 0 40 FCAB Cc1ccc(-n2cc(S(=O)(=O)N(C)C)cn2)cc1S(=O)(=O)N(C)C 84188093 UBUBIODJYMJAPA-UHFFFAOYSA-N 372.472 0.681 0 40 FCAB O=C(Cn1ccnn1)N1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95998393 FPEQYBWZXQDHKH-KRWDZBQOSA-N 368.441 0.618 0 40 FCAB Cn1cc(N2C[C@]3(COCCN(C(=O)C(C)(C)C)C3)OCC2=O)cn1 96240227 DUJGKUGITWIRMG-QGZVFWFLSA-N 350.419 0.427 0 40 FCAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 100118173 UEULCXCLKPGFQR-MZGVQRIFSA-N 352.390 0.601 0 40 FCAB O=C(O)c1nc2cn1/C=C/C=N\CC1=CN3C=CC=N[C@]3(C(=O)O)N1C2 104202775 FNQNTCHQOZUQHN-WJWAOPASSA-N 354.326 0.432 0 40 FCAB Cc1cc(C)c(S(=O)(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1C 575422599 MBXBGYBCNHOHAG-CQSZACIVSA-N 361.485 0.782 0 40 FCAB CN(C(=O)/C=C/c1cnn(C)c1)[C@H]1CCC[C@H](n2ccc(O)nc2=O)[C@H]1O 585290862 WWJGMXKRZCJVOO-PMNVYRAFSA-N 373.413 0.309 0 40 FCAB CN(C)C(=O)[C@H]1CC(=O)N(C2CN(Cc3ccc4c(c3)nnn4C)C2)C1 685940586 DEBXZEUXQMUIIE-ZDUSSCGKSA-N 356.430 0.089 0 40 FCAB COc1cnccc1C(=O)N1CCn2c(CNC(=O)N(C)C)nnc2C1 1565553680 BLTKMDWEUGUDCP-UHFFFAOYSA-N 359.390 0.109 0 40 FCAB COc1ncccc1C(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888906807 FCNYKRUFGUEZOC-BETUJISGSA-N 365.397 0.736 0 40 FCAB COc1cnc(C(=O)N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)nc1 2055750689 QFXSUHMYLMHQEO-HOTGVXAUSA-N 373.413 0.815 0 40 FCAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)O[C@@H](C)C(N)=O 3307618 REKRCHJVUDYGFE-JQWIXIFHSA-N 354.428 0.964 0 40 FCAB COc1ccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)c1 3530917 XRODNJIJOFFTBC-SNVBAGLBSA-N 357.384 0.164 0 40 FCAB Cc1cc(C)n2c(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nnc2n1 4166579 LGNKHVBIYNHNNY-LLVKDONJSA-N 369.472 0.479 0 40 FCAB CC(=O)O[C@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO 4581145 YHQCWFGKRPKMDG-SQWLQELKSA-N 373.365 0.707 0 40 FCAB Cc1ccc(C)c(Cn2c(N3CCNCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 4945238 FOIMFDDMVYQRNY-UHFFFAOYSA-N 368.441 0.498 0 40 FCAB CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@@H](C)[C@@H](O)[C@H]2O)cc1F 5973244 GAGWJHPBXLXJQN-BQKRADJCSA-N 359.354 0.760 0 40 FCAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)C1=COCCO1 7655505 UQODBPWUTYZYEF-UHFFFAOYSA-N 352.318 0.654 0 40 FCAB C[C@]1(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CCS(=O)(=O)C1 7986798 IDSFQJWUKCCWBP-KRWDZBQOSA-N 361.423 0.599 0 40 FCAB CCc1cnc2c(c1OC)c(=O)n(CC(=O)Nc1cc(C)on1)c(=O)n2C 9571558 VHBBXUGHAZLLQW-UHFFFAOYSA-N 373.369 0.601 0 40 FCAB Cc1ccc(NC(=O)NC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1C 12760676 KDKMZSDHAGYAMY-UHFFFAOYSA-N 368.459 0.529 0 40 FCAB CN1C(=O)c2cccc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)c2C1=O 13791341 SALKZLOMLQCTIC-SNVBAGLBSA-N 365.411 0.523 0 40 FCAB Nc1cc(N)nc(SCCN2C(=O)c3ccccc3S2(=O)=O)n1 18541049 ASOZYDFAHANVHJ-UHFFFAOYSA-N 351.413 0.578 0 40 FCAB CCN(CC)S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN2)n1 19760278 UEUZCEZWWHFGJM-AWEZNQCLSA-N 370.523 0.986 0 40 FCAB CNC(=O)c1ccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)cc1 21759766 QMOLWERWRYEOOD-CQSZACIVSA-N 356.444 0.910 0 40 FCAB NS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 22699118 ASBKHSODDDOIBD-MRXNPFEDSA-N 374.418 0.873 0 40 FCAB NS(=O)(=O)N1CCC(C(=O)Nc2cccc(Cn3cccn3)c2)CC1 25133894 HDPFOVBVOQEXJR-UHFFFAOYSA-N 363.443 0.785 0 40 FCAB CC(C)NC(=O)CCn1c(=O)c2cc(Cl)ccc2n2c(=O)n(C)nc12 33291975 HUUVMVPAWPGHRS-UHFFFAOYSA-N 363.805 0.916 0 40 FCAB O=C(NCCn1ncc2c(N3CCOCC3)ncnc21)c1ccc(=O)oc1 35590554 SDHLJTVMGYGULW-UHFFFAOYSA-N 370.369 0.046 0 40 FCAB Cc1nnc(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)s1 36358389 XRZOMLIQBAHORF-UHFFFAOYSA-N 358.383 0.311 0 40 FCAB O=C(C1CCCC1)N1CC(S(=O)(=O)NC2CCN(C3CC3)CC2)C1 96005125 GOQZKXWQVVGGBF-UHFFFAOYSA-N 355.504 0.934 0 40 FCAB CCS(=O)(=O)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244200 CFKJZKRUAJPIGI-MRXNPFEDSA-N 368.459 0.137 0 40 FCAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1C 96306450 IGOTYWSLUOFZNM-UHFFFAOYSA-N 368.397 0.151 0 40 FCAB Cc1ncn(CC(=O)N2CC[C@@H](Oc3cncc(N(C)C)n3)C2)c(=O)c1C 225403635 CRTSNDKEMJAXLM-CQSZACIVSA-N 372.429 0.396 0 40 FCAB Cn1cnc2cc(C(=O)N3CC[C@H](O)[C@@H](N4CCOCC4)CC3)ccc21 257217143 CXRPUIPRDGAEEP-ROUUACIJSA-N 358.442 0.871 0 40 FCAB O=C(COc1cccc(F)c1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257306882 SWKPJBMOYNEBJA-JFIYKMOQSA-N 352.406 0.935 0 40 FCAB CN1C[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)C1=O 511216403 LARVHVKYLUHGDX-BFHYXJOUSA-N 372.491 0.063 0 40 FCAB CN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1cccc2cccnc12 575425449 FGLGWEHBSWAAAP-NEPJUHHUSA-N 356.425 0.013 0 40 FCAB O=S1(=O)CC[C@@H](NCCNS(=O)(=O)c2ccc(Cl)cc2)C1 575425799 WXRYCEKZPYDFGT-LLVKDONJSA-N 352.865 0.395 0 40 FCAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cnn(C2CCOCC2)c1 647928154 FUIKOQGQNIXZLK-OAHLLOKOSA-N 373.431 0.489 0 40 FCAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)c1ccc(O)nn1)CC2 1146984414 NIICHXFLFCTCFG-CYBMUJFWSA-N 362.430 0.919 0 40 FCAB COc1cc(C(=O)N2CCOC[C@]3(C[C@H](Cn4cnnc4)CO3)C2)on1 1565548945 MWZMBVZLYVXSCE-WBMJQRKESA-N 363.374 0.223 0 40 FCAB COCCNC(=O)c1cnn2c1CN(C(=O)CC1(O)CCC1)CCC2 1565549551 SYGLQIUHRBTOLJ-UHFFFAOYSA-N 350.419 0.297 0 40 FCAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)c1cccn(C)c1=O)CC2 1565553940 NENGUJWMGLVTDY-UHFFFAOYSA-N 360.439 0.785 0 40 FCAB CCN1CCN(C(=O)NC[C@H](O)c2ccc(-c3ccco3)o2)C(=O)C1=O 1775966241 VOEVKTTWUZTPKH-NSHDSACASA-N 361.354 0.973 0 40 FCAB O=C(C1CCCC1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243180 POBIEZPCTAZBFV-AWEZNQCLSA-N 353.444 0.468 0 40 FCAB CC(=O)N[C@@H]1C(=O)N=C(SCC(=O)N[C@H](C)c2ccccc2)NC1=O 884903 URZMHVQQFHWDJY-SECBINFHSA-N 362.411 0.114 0 40 FCAB Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n(N)c1=O 2455492 RJAOWNXGOLGYDP-UHFFFAOYSA-N 360.443 0.101 0 40 FCAB CCOCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 4815325 XFSVGHCOGOSBER-LBPRGKRZSA-N 374.459 0.913 0 40 FCAB CCOC(=O)c1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 5055963 JNDBNOAKCVPVLP-UHFFFAOYSA-N 368.367 0.028 0 40 FCAB COc1cc(CCNC(C)=O)c(S(=O)(=O)N2CCOCC2)cc1OC 12364296 SYDCJBOTVBXOTE-UHFFFAOYSA-N 372.443 0.403 0 40 FCAB Cc1cccc(N2CCN(CC(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2)c1 12522703 WTWFKHAUMYITRG-GOSISDBHSA-N 365.499 0.810 0 40 FCAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(C(N)=O)CC1 13010626 WWLFKWQOWURHHB-GFCCVEGCSA-N 353.444 0.855 0 40 FCAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 15805423 URJZLRMMKWFFLW-CMPLNLGQSA-N 373.500 0.849 0 40 FCAB CCNC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 17115933 BBCLQZAITPGUGT-UHFFFAOYSA-N 357.432 0.740 0 40 FCAB COc1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 23980929 DJFJTOJYMNQHLD-CHWSQXEVSA-N 356.444 0.999 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)NC(N)=O)CC2)c1 36389674 DOLYNCNOQXAEOW-CYBMUJFWSA-N 368.459 0.193 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 36589750 NGUJOKJTVRDRLD-YNEHKIRRSA-N 351.428 0.164 0 40 FCAB biogenic CS(=O)(=O)NCCNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 43939564 FCHLJUQWOQHOKN-UHFFFAOYSA-N 365.419 0.346 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)Cc3ccc(-n4cccn4)cc3)CC2)N1 48302149 FIHXZJQXKFLCKT-UHFFFAOYSA-N 353.382 0.615 0 40 FCAB CCOCCNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 72301632 HJQBILCITXYICQ-OAHLLOKOSA-N 360.414 0.277 0 40 FCAB CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 95396656 OLRRSOVTOJLJAL-ZDUSSCGKSA-N 354.432 0.942 0 40 FCAB C[C@@H]1C(=O)Nc2cnccc2N1C(=O)CN1C(=O)NC2(CCCC2)C1=O 95468131 UABREJDCQPLJDW-SNVBAGLBSA-N 357.370 0.620 0 40 FCAB Cc1nc(CN2CCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)CC2)n[nH]1 96010523 SWJFGTRGKOYZGA-UHFFFAOYSA-N 364.450 0.624 0 40 FCAB COc1cc(N2CC[C@]3(CCC[C@H](CNS(C)(=O)=O)O3)C2)ncn1 96206632 QZFYKZYNMQWQPD-IUODEOHRSA-N 356.448 0.552 0 40 FCAB CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2S(C)(=O)=O 96251592 JLESCSTZJHHYRE-NWDGAFQWSA-N 366.505 0.082 0 40 FCAB CS(=O)(=O)NCC[C@@]12CCO[C@@H]1CCN(C(=O)c1ncccn1)C2 108527785 IOPHBCAJTCHVBR-DOMZBBRYSA-N 354.432 0.037 0 40 FCAB CCOC(=O)c1ccccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 223284777 JEOPBTBJJHAORV-UHFFFAOYSA-N 353.356 0.349 0 40 FCAB O=C(C1CCOCC1)N1CCO[C@@H](CS(=O)(=O)NCc2ccco2)C1 521396992 DZRIDPWCPCFAPK-OAHLLOKOSA-N 372.443 0.353 0 40 FCAB CC(=O)N1CCC(C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 553086002 IJPJUPCNMOSCGG-LSDHHAIUSA-N 359.492 0.469 0 40 FCAB O=C(CCCOc1ccc2c(c1)OCO2)N1CCn2nnc(CO)c2C1 570342847 GAGYASIUXBFQFE-UHFFFAOYSA-N 360.370 0.701 0 40 FCAB O=C(CN1C(=O)c2ccccc2C1=O)NCCn1nc(C2CC2)ccc1=O 585149966 RSGVOMGQOFSCPA-UHFFFAOYSA-N 366.377 0.533 0 40 FCAB Cn1cnc(C(=O)N2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)n1 1565543228 QFOXLOBDFOCYNI-GOSISDBHSA-N 354.414 0.865 0 40 FCAB CC(C)N(C)CC(=O)N1C[C@H]2ON=C(C(=O)NCc3cccnc3)[C@H]2C1 1565551908 XCOYEXQXPMMFHI-LSDHHAIUSA-N 359.430 0.251 0 40 FCAB Cn1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)nn1 1888906379 ZNOYXJNLLAYRKU-CHWSQXEVSA-N 351.414 0.910 0 40 FCAB Cn1cc(N2CCC(NC(=O)CCC(F)(F)F)CC2)c(=O)n(C)c1=O 1888961547 WPVBKGPAKWGCJX-UHFFFAOYSA-N 362.352 0.512 0 40 FCAB O=C(C[C@@H]1[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H]21)Nc1cccnc1 2055746358 SYKCLBQCRCTBCJ-MUJYYYPQSA-N 352.394 0.977 0 40 FCAB Cn1c(=O)c2ncn(CC(=O)Nc3cccc4nsnc34)c2n(C)c1=O 1004724 PNGFCODSOBATNM-UHFFFAOYSA-N 371.382 0.077 0 40 FCAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc(C)c1 4317882 ZNNSXMXKOQZJKE-LBPRGKRZSA-N 373.413 0.603 0 40 FCAB CCOc1ccccc1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 4732115 CEMAIWBXHLXIIS-UHFFFAOYSA-N 371.397 0.861 0 40 FCAB CCOC(=O)/C=C(\C)NC(=O)c1c(O)c(C(=O)OCC)c(C)[nH]c1=O 5868572 GRXIMDVJZXUKNH-BQYQJAHWSA-N 352.343 0.762 0 40 FCAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N[C@@H]1CCS(=O)(=O)C1 9302677 GIHGRCYLSLKRRB-NJQKBMNKSA-N 370.408 0.619 0 40 FCAB Cc1ccc(NC(=O)CSc2n[nH]c(N)n2)cc1S(=O)(=O)N(C)C 9631361 NIRQTYJQYKKUTH-UHFFFAOYSA-N 370.460 0.676 0 40 FCAB CNC(=O)Cn1c(CO)cnc1SCC(=O)NCc1ccc(F)cc1 9827360 KIXPNYFHJXPPAR-UHFFFAOYSA-N 366.418 0.669 0 40 FCAB CN(C)CCN(C(=O)Cc1n[nH]c(=O)c2ccccc12)C1CCN(C)CC1 12360970 BUUBLPOBIKZZRR-UHFFFAOYSA-N 371.485 0.950 0 40 FCAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O 14069579 HNZNAVUDNAKRGM-UHFFFAOYSA-N 370.369 0.736 0 40 FCAB CCc1nc(COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cs1 24149162 AOCGZUHOLVIIOT-UHFFFAOYSA-N 363.399 0.196 0 40 FCAB CN(C)CCNC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 31816009 DJEAOGMNTOSASR-UHFFFAOYSA-N 359.386 0.825 0 40 FCAB CN1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)NCc1ccc(F)cc1)N2C 35442412 JPSJTZUVVKFABK-JZXOWHBKSA-N 362.449 0.725 0 40 FCAB biogenic,in-vitro COC(=O)[C@@H](CCSC)NC(=O)c1cc(F)ccc1-n1cnnn1 36569739 VORFDNQPOHECLV-LLVKDONJSA-N 353.379 0.826 0 40 FCAB O=C(Cn1cnc2sccc2c1=O)NC1CCN(C(=O)C2CC2)CC1 43506664 HPRRGRJHCYTQST-UHFFFAOYSA-N 360.439 0.975 0 40 FCAB O=C(NCCCN1CCOCC1)C(=O)Nc1cccc(-n2cnnc2)c1 49545018 ZOHLWUPMXJZVGS-UHFFFAOYSA-N 358.402 0.044 0 40 FCAB COCCn1c(N)c(C(=O)CN(C)c2cccc(C)c2C)c(=O)[nH]c1=O 54290075 ZMCZYRORGJLKHT-UHFFFAOYSA-N 360.414 0.701 0 40 FCAB O=C(NCCNC(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1)C1CC1 56797348 AFBUYIYXVDFHSQ-CQSZACIVSA-N 359.430 0.968 0 40 FCAB COC[C@H](O)CN1CCC(NC(=O)NCCc2ncc(C)s2)CC1 89902152 GHMQTURYTWUNJH-CQSZACIVSA-N 356.492 0.765 0 40 FCAB Cn1c(=O)n(C)c2cc(C(=O)NC3(C(=O)O)CC3)c(Br)cc21 95989653 CYXYLQVMYQJRSY-UHFFFAOYSA-N 368.187 0.987 0 40 FCAB O=C(N[C@@H]1CN2CCOC[C@@H]2[C@H]1OCc1ccccn1)c1cnccn1 96068920 RRZYVDHPZKKHNB-ZACQAIPSSA-N 355.398 0.270 0 40 FCAB CC(=O)N1CCc2nn(CC(=O)N3CCc4ccccc43)c(=O)cc2C1 96105689 FVGCSWNBIVMYNA-UHFFFAOYSA-N 352.394 0.737 0 40 FCAB O=C(NC1CC(F)(F)C1)[C@H]1CN(c2ccc3nncn3n2)Cc2ccnn21 306129792 INBPRSHYKIWAST-GFCCVEGCSA-N 374.355 0.796 0 40 FCAB O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1CCn2cncc2C1 332770139 CLLBKOLOAMEMKO-UNPMEBSKSA-N 354.410 0.369 0 40 FCAB Cn1cc(C(=O)N2CC(N3C(=O)CNC3=O)C2)c(-c2ccsc2)cc1=O 390825956 UAWMNEOYIKFLEJ-UHFFFAOYSA-N 372.406 0.490 0 40 FCAB CN(C)[C@H]1CC2(CCN(C(=O)/C=C/c3cnn(C)c3)CC2)OC[C@]1(C)O 585289502 IZLDPIHIROTTTQ-MMUANNJHSA-N 362.474 0.896 0 40 FCAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CCO2)C1=O 1565548858 KZEITCAXUFLSGH-TWGXZMITSA-N 356.422 0.732 0 40 FCAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)c3csnn3)C[C@H]21 1614938126 VKZURCDWELMLMG-NTZNESFSSA-N 354.432 0.168 0 40 FCAB CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NC(=O)C(=O)O 1772594421 WRSBVQGSPCCFFU-RISCZKNCSA-N 351.403 0.665 0 40 FCAB O=C(OC[C@H](O)C(O)[C@@H](O)COC(=O)c1ccccc1)c1ccccc1 1641007 UVZWLAGDMMCHPD-HOTGVXAUSA-N 360.362 0.783 0 40 FCAB biogenic CCN(C(=O)Cn1ncc(Cl)c(Cl)c1=O)[C@@H]1CCS(=O)(=O)C1 3457206 VUBYWQWHKMNZPH-MRVPVSSYSA-N 368.242 0.586 0 40 FCAB CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccc(N(C)C)cc3)CO[C@H]12 3841746 FHHOYOCJYBJXIG-ZJIFWQFVSA-N 363.414 0.763 0 40 FCAB biogenic,in-vitro NS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)cc1 5190458 DPZVJGITGNLDDJ-UHFFFAOYSA-N 372.399 0.886 0 40 FCAB C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 9114495 AOCVYNZFCSZDSQ-CYBMUJFWSA-N 355.460 0.918 0 40 FCAB CN1[C@@H](C(=O)NC(C)(C)CO)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 12159527 CYURYWFQBJMLGV-QWHCGFSZSA-N 359.423 0.292 0 40 FCAB O=C(Nc1ccc(F)cc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCOCC2)[C@H]1O 12484133 VAGQMZKYHVJYJY-DGXTUMSLSA-N 367.377 0.133 0 40 FCAB biogenic,in-vitro CCOC(=O)C1=C(CN(C)CC(=O)N(C)C)NC(=O)N[C@@H]1c1ccccc1 12750102 KWGDVJZFNLFTRM-QGZVFWFLSA-N 374.441 0.878 0 40 FCAB CCOC(=O)C1=C(COC(=O)c2ccc3c(c2)nnn3CC)NC(=O)NC1 12979114 UTVFOCCVNUROGD-UHFFFAOYSA-N 373.369 0.738 0 40 FCAB C[C@H]1CN(C(=O)CCNC2=NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 14245435 RDPOOSLMUAZKME-TXEJJXNPSA-N 351.428 0.751 0 40 FCAB Cn1ccc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)cc1=O 19290842 OWMINWQNQTWQPS-HNNXBMFYSA-N 369.425 0.647 0 40 FCAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCc2ccco2)cc1 20768977 DFOJMBIZXDVFPH-UHFFFAOYSA-N 365.411 0.463 0 40 FCAB CCCNC(=O)CN1CCN(CC(=O)N2CC(=O)Nc3ccccc32)CC1 23249251 YNKANHFPKIZAMQ-UHFFFAOYSA-N 373.457 0.116 0 40 FCAB C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 28645529 UZBSKQJZSQINAW-SOUVJXGZSA-N 369.425 0.465 0 40 FCAB O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NC1CCCC1 32106081 NGSCMJUEDNKPFL-OAHLLOKOSA-N 365.455 0.625 0 40 FCAB Cc1nc(-n2cccc2)sc1C(=O)N[C@@H](CCCNC(N)=O)C(=O)O 36358367 PDQSWGIWIXRVFN-JTQLQIEISA-N 365.415 0.874 0 40 FCAB CCNC(=O)COc1ccc(CN2C(=O)[C@H](C)NC2=S)cc1OC 55178979 LXRQLDADSPHELC-JTQLQIEISA-N 351.428 0.815 0 40 FCAB C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCC1 58215035 LUQHLQFGCMBYRB-NSHDSACASA-N 360.457 0.379 0 40 FCAB C[C@H]1CN(CCCNc2ccc(S(N)(=O)=O)cc2C(N)=O)C[C@@H](C)O1 75108985 XCUHIEULYJXSHZ-TXEJJXNPSA-N 370.475 0.344 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cnc(C)cn2)CCN1CCc1ccccc1 257245504 IPUPUVFJKNYMTH-GOSISDBHSA-N 367.453 0.900 0 40 FCAB CN(CC(=O)NC[C@@]1(O)CCN(c2cnccn2)C1)Cc1cccnc1 257302287 SCHZPWSXXAHHEH-SFHVURJKSA-N 356.430 0.061 0 40 FCAB O=S(=O)(N1CC2(C[C@H](Oc3cnccn3)CCO2)C1)C(F)(F)F 575406448 XICUEIYGQCNECY-SECBINFHSA-N 353.322 0.938 0 40 FCAB CCCN(C(=O)c1ccc(OCCOC)cc1)[C@@H]1COC[C@@H](O)[C@H]1O 643585351 BJECQJPNUUEZAJ-ZACQAIPSSA-N 353.415 0.685 0 40 FCAB Cc1ncn(CC(=O)NCc2ccnc(-c3cnn(C)c3)c2)c(=O)c1C 675007900 AVEQSBJRVNIMBA-UHFFFAOYSA-N 352.398 0.972 0 40 FCAB CN(C)CCOC[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2nnn(C)c21 1614939774 YMNOLPXJKSSGNH-ZDUSSCGKSA-N 374.445 0.998 0 40 FCAB Cc1noc(CN2C[C@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@H]3C2)n1 1888930474 QQIGLPBDWVZLFU-BETUJISGSA-N 373.438 0.891 0 40 FCAB CCS(=O)(=O)N1C[C@H]2C[C@@H]3CN(C(=O)c4csc(C)n4)C[C@@]2(C1)O3 2055844912 XVTQUOVHMLTMRZ-JMSVASOKSA-N 371.484 0.717 0 40 FCAB O=C([C@@H]1CN(c2ncnc3n[nH]cc23)CCO1)N1CCC(F)(F)CC1 2086860280 KNIWEJWAKVMJBY-NSHDSACASA-N 352.345 0.816 0 40 FCAB C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 4829863 UHGLGUFXVOPLJP-JTQLQIEISA-N 359.361 0.450 0 40 FCAB Cc1cc(C)nc(SCC(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)n1 7780225 MASVXUMZFVCOSB-NSHDSACASA-N 373.456 0.032 0 40 FCAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1=COCCO1 15432499 FZFKGEMQZOFVSC-UHFFFAOYSA-N 354.384 0.534 0 40 FCAB CC[C@H](NC(=O)CCN1C(=O)N[C@H]2NC(=O)N[C@@H]21)c1ccc(OC)cc1 19500478 KJWIKQLFPRBDOG-NWANDNLSSA-N 361.402 0.643 0 40 FCAB CC(C)NC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 23109736 ZFOKDXJOTGEYRQ-AWEZNQCLSA-N 353.444 0.481 0 40 FCAB C[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23248683 YIBKZWLTGAKYFI-HNNXBMFYSA-N 361.442 0.780 0 40 FCAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 23371763 OHPOWFZNICUONA-UHFFFAOYSA-N 374.378 0.377 0 40 FCAB O=C(CN1CCN(C(=O)C2CC2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 35307852 CDVWUPJREGEHIC-UHFFFAOYSA-N 374.397 0.618 0 40 FCAB COCCOc1ccc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 40134218 VYSDQNIEEGJTLZ-HNNXBMFYSA-N 370.471 1.000 0 40 FCAB C[C@H](OC(=O)CN1CCCS1(=O)=O)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 107492988 KXZJTJMGJBXMGC-QTVXIADOSA-N 372.487 0.895 0 40 FCAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3ncccn3)C2)c(=O)n1C 257205806 BAQARNYNBQAWJY-GOSISDBHSA-N 357.414 0.197 0 40 FCAB COc1ccc(C)cc1CC(=O)N1CC[C@@](O)(CNC(C)=O)[C@H](O)C1 257292722 QMRTYMKTMXLWKC-SJLPKXTDSA-N 350.415 0.007 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CCN1C(C)=O 257313662 UTOHHTWOIYIYCT-OAHLLOKOSA-N 357.414 0.301 0 40 FCAB Cc1cc(N2CCC(Cn3nc(-n4cncn4)ccc3=O)CC2)ncn1 585501219 XPOWDWFGGPQLLY-UHFFFAOYSA-N 352.402 0.839 0 40 FCAB O=C(/C=C/c1cccc(F)c1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 643586249 OQRBYZVWQYHEGU-LFYVNMEBSA-N 350.390 0.104 0 40 FCAB CS(=O)(=O)C1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 650331494 XUMKQNDCOMSSND-UHFFFAOYSA-N 367.832 0.529 0 40 FCAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565546266 XTJFNZFKSUVEIV-NDUPCHFUSA-N 355.438 0.829 0 40 FCAB COC(=O)c1cc2c(nc1C)CCN(C(=O)c1cccnc1C(N)=O)CC2 1565550891 HLYKHHHMEDGJIX-UHFFFAOYSA-N 368.393 0.912 0 40 FCAB CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)c3ncn(C)n3)CC2)CO1 1614934575 QPKQTHAIFHIWMW-LBPRGKRZSA-N 350.423 0.146 0 40 FCAB Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)OC[C@@H]2CCCO2)cn1 1615585910 IAQNXTBKNGAHAA-KBPBESRZSA-N 357.432 0.897 0 40 FCAB Cn1cnc2c(N3CCN(c4ccc(-n5cccn5)nn4)CC3)ncnc21 1889211647 PCZOVIMJBYTSII-UHFFFAOYSA-N 362.401 0.666 0 40 FCAB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1OC)C1=C(COC1=O)N2 4495937 VAOXTWWMRXTQDS-GFCCVEGCSA-N 355.350 0.933 0 40 FCAB CN1C(=O)[C@@](NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)N=C1O 4625805 HSHMPNIHIWMPQO-SNVBAGLBSA-N 352.294 0.192 0 40 FCAB O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)NC[C@H]1CCCO1 5398547 QPHCPEQQPHKAFN-CYBMUJFWSA-N 357.366 0.934 0 40 FCAB O=C1C(=O)N(Cc2ccco2)C(=O)N1CCN1C(=O)c2ccccc2C1=O 5938705 XOUCGMJRHODCNU-UHFFFAOYSA-N 367.317 0.867 0 40 FCAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CC1 6058043 SYXAPBWZGFMNHO-UHFFFAOYSA-N 356.400 0.837 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1 6905272 PFUVGASQDCFQDF-UHFFFAOYSA-N 351.428 0.432 0 40 FCAB O=C(COc1cccc(-n2cnnn2)c1)NC[C@@H]1COc2ccccc2O1 7089745 YVNOHSRNKCTZTL-OAHLLOKOSA-N 367.365 0.997 0 40 FCAB CC1(C)NC(=O)N(CC(=O)OCc2cc(=O)n3ccsc3n2)C1=O 7777395 FGRQGJOIWMTDJN-UHFFFAOYSA-N 350.356 0.130 0 40 FCAB Cn1cnnc1SCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 9911597 HMRGGQIRFMEGTJ-LBPRGKRZSA-N 358.489 0.866 0 40 FCAB CC(=O)OCCc1c(C)[nH]c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2c1=O 10339226 BDAOSUCCJJWTFV-UHFFFAOYSA-N 357.370 0.828 0 40 FCAB CC(C)[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 12530834 ZSQBXDJUCAHGJP-HNNXBMFYSA-N 369.425 0.947 0 40 FCAB CCOC(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 12739189 OTBZLAVXBQDLBE-OAHLLOKOSA-N 373.413 0.407 0 40 FCAB Cn1c(CCNC(=O)[C@H]2CCCO2)nc2cc(NS(C)(=O)=O)ccc21 13720220 ZLRXOZWVAPXYFM-CQSZACIVSA-N 366.443 0.783 0 40 FCAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(Cc3ccccn3)CC2)C1=O 19460013 CMMQXMVPLMMDNC-IBGZPJMESA-N 371.441 0.446 0 40 FCAB Cc1ccc(Cn2c(CN3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 20354925 SGMHKTBYMDYNPE-UHFFFAOYSA-N 369.425 0.612 0 40 FCAB CC(=O)N1C[C@@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)Oc2ccccc21 21473964 YFPXKHLKNXLPOQ-AWEZNQCLSA-N 372.381 0.001 0 40 FCAB COCCn1c(C(=O)NCCCN2CCOCC2)nc2ccccc2c1=O 31806799 VETPYWXOACYVGJ-UHFFFAOYSA-N 374.441 0.495 0 40 FCAB Cc1ccccc1Cn1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2C 62720581 OTMBEZWICHFXHF-UHFFFAOYSA-N 368.441 0.200 0 40 FCAB Cc1cccc2nc(CN3CC[C@@]4(CCCN(CCO)C4=O)C3)cc(=O)n12 92107353 QVICIIZAIWBSNV-FQEVSTJZSA-N 370.453 0.810 0 40 FCAB COc1ccc(CN2C[C@H](C(=O)N[C@H](C)C[S@](C)=O)CC2=O)cc1 96010501 ONSDHESDPATTMP-TUBUTJRMSA-N 352.456 0.927 0 40 FCAB Cc1cnc(N2CCOC[C@]3(CC[C@H](Cn4ncccc4=O)O3)C2)nc1 96160706 XYOHIBGGGVPREU-QAPCUYQASA-N 357.414 0.796 0 40 FCAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCN(c2ncccn2)CC1 103050320 CDOXCSVPBFNCDJ-GJZGRUSLSA-N 369.425 0.467 0 40 FCAB CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 108068344 JKBBAYOZBJSGSM-TZMCWYRMSA-N 352.412 0.308 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)CC1 252493596 NDOCDIHYWUCZOA-SNVBAGLBSA-N 353.400 0.259 0 40 FCAB CN1CCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C[C@@H]1C(N)=O 257256141 KKGFDDCLKMRSOL-GFCCVEGCSA-N 366.805 0.266 0 40 FCAB O=C(NC[C@@]1(O)COCCN(Cc2cccc(O)c2)C1)c1ccccn1 257298818 RNKBHHVKRYPGGQ-IBGZPJMESA-N 357.410 0.781 0 40 FCAB Cc1ccc(CN(N[C@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1 575420733 JUHSYIZVNYWCEP-JKSUJKDBSA-N 372.512 0.676 0 40 FCAB O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CCO1 582285503 HUICWGCKHUVWHO-VIFPVBQESA-N 370.305 0.497 0 40 FCAB Cc1ccc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CNS(C)(=O)=O)o1 585094811 NRWWVMVDEBGFRJ-LLVKDONJSA-N 352.416 0.438 0 40 FCAB COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[S@@](=O)C(C)(C)CC1)CC2 1230165379 YJOOCHZJLFKGET-UOXLDJKESA-N 369.491 0.682 0 40 FCAB COC1(CC(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCN(C)CC3)C2)CCC1 1565551932 UUPKERNHXFWBCW-OWCLPIDISA-N 365.474 0.336 0 40 FCAB c1nc(N2CCOCC2)cc(N2CCN(c3ccn4nccc4n3)CC2)n1 1889149135 BDPBXYMAOZNGGY-UHFFFAOYSA-N 366.429 0.683 0 40 FCAB CCN(C)C[C@H]1COC2(CN(C(=O)c3ccc(F)cc3)C2)CS1(=O)=O 2332243168 OKTHKZGGXHQRQO-HNNXBMFYSA-N 370.446 0.786 0 40 FCAB O=C(C[C@@H]1NC(=O)NC1=O)NC1(C(=O)NC2CCCC2)CCCCC1 2494367 KRDKRHMMTPZZEG-LBPRGKRZSA-N 350.419 0.462 0 40 FCAB Cn1nnnc1SCc1cccc(S(=O)(=O)N2CCOCC2)c1 3344277 XUANVZLLMMRECU-UHFFFAOYSA-N 355.445 0.523 0 40 FCAB Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1)(C(F)(F)F)C(=O)N2 4618965 KENIYFCTFSKGOU-CQSZACIVSA-N 368.271 0.213 0 40 FCAB Cc1nc(S[C@H]2CCOC2=O)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 9503409 VKVHDGYCMWLJAN-JTQLQIEISA-N 364.427 0.862 0 40 FCAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H]3C(N)=O)ccc21 9723170 PLAXFEYZNSLRPW-HNNXBMFYSA-N 351.428 0.624 0 40 FCAB CCOC(=O)CCC(=O)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251076 DRTHLKUFZMFUGM-UHFFFAOYSA-N 355.354 0.996 0 40 FCAB Cn1nnc2c(N3CCN(C(=O)NCCc4ccccc4)CC3)ncnc21 13534713 UWGYDWVKYYUNPP-UHFFFAOYSA-N 366.429 0.833 0 40 FCAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCCCO 16428868 DXGXFTHVGSDZOE-UHFFFAOYSA-N 356.444 0.785 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@H]1C(=O)c1cnn(-c2ccccc2)c1N 19021345 JRRTUMRSXZUGNM-HNNXBMFYSA-N 355.398 0.764 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@@H]1c1cc(N2CCN(C)CC2)cc(C)n1 19698292 YEPIYWOBIUBFBJ-GOSISDBHSA-N 359.474 0.941 0 40 FCAB CC[C@@H]1C(=O)NCCN1C(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 19719122 WQPKZQKMUXGFCL-CQSZACIVSA-N 369.443 0.053 0 40 FCAB CCc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccc(OC)nn1 24801492 ZRASNPBSVUDNBN-SNVBAGLBSA-N 365.415 0.150 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(C[C@H]2CCCO2)CC1 32987866 OBBBVCWZXQGLRK-OAHLLOKOSA-N 356.426 0.720 0 40 FCAB CC(=O)c1cccc(NC(=O)CNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 36357762 ZRYSFHSRCWGBBP-CYBMUJFWSA-N 353.400 0.314 0 40 FCAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCc1ccccc1 36360894 VYSQOXISXMOYFX-GJZGRUSLSA-N 367.471 0.814 0 40 FCAB O=C1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CCN1 44959557 MILWYAYLQJIOMQ-LBPRGKRZSA-N 367.352 0.851 0 40 FCAB Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cn1C 50256062 ACHNBAWCCODJGB-AWEZNQCLSA-N 370.475 0.424 0 40 FCAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)[nH]n1 51374466 QCFPLCFTEINNAA-UHFFFAOYSA-N 366.447 0.799 0 40 FCAB CN(C[C@H]1COc2ccccc2O1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C 53549791 CDWZJTIRGLQTCI-JTQLQIEISA-N 357.370 0.237 0 40 FCAB CC(=O)c1ccc(N2CCN(CCS(=O)(=O)CCC(N)=O)CC2)cc1 58159559 IQOVUYRSXQKQKZ-UHFFFAOYSA-N 367.471 0.301 0 40 FCAB COC(=O)C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccco2)CCO1 75104454 SAPZDLKRLKQTPU-QWHCGFSZSA-N 350.371 0.675 0 40 FCAB Cc1ncn(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)c(=O)c1C 75166403 NFLGFTKSHFIBGT-UHFFFAOYSA-N 365.411 0.610 0 40 FCAB CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)C1 273625494 BLHORUGZQIADHG-JTQLQIEISA-N 374.390 0.436 0 40 FCAB Cc1cc(CN2Cc3ncn(C)c3[C@H](C(=O)N3CCOCC3)C2)n(C)n1 306142429 WZEPNGMELXRWQW-OAHLLOKOSA-N 358.446 0.420 0 40 FCAB COCc1cc(CNC(=O)C[C@H]2CS(=O)(=O)CCN2C)ccc1F 644342120 JZIOSLMHGIEXPH-AWEZNQCLSA-N 358.435 0.707 0 40 FCAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCCOCc2ccccc2)C1 673851592 ARKLJJDYUYMWSR-OAHLLOKOSA-N 355.460 0.926 0 40 FCAB Cc1ccc(C)c(C2=NO[C@H](C(=O)N3CCS(=O)(=O)CCO3)C2)c1 1518916764 XIXALQRFIMHZGH-HNNXBMFYSA-N 352.412 0.985 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 1565551743 KCUAVNUJXYCRHK-BBRMVZONSA-N 368.459 0.473 0 40 FCAB CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C 1614932427 ADUQATYNWOYADN-LJQANCHMSA-N 359.474 0.671 0 40 FCAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2F)n1N 5100861 WYXLTXCWTVOCHA-UHFFFAOYSA-N 353.379 0.569 0 40 FCAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)N1CCOCC1 6045196 JIPBNFRXGIOKGJ-UHFFFAOYSA-N 353.444 0.742 0 40 FCAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(C(C)=O)CC1 7459276 HGXSIDRYYIUVLM-UHFFFAOYSA-N 374.372 0.685 0 40 FCAB O=C(CCN1C(=O)COc2ccccc21)NCC(=O)NCc1ccco1 7954022 DEUJSNMFGLXQGH-UHFFFAOYSA-N 357.366 0.828 0 40 FCAB COC(=O)CCNC(=O)N[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 9156342 YTLPQOAQXBFZAP-CQSZACIVSA-N 369.443 0.968 0 40 FCAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCOCC3)CC2)Nc2ccccc21 12085615 CKRLDSVOHJJIPH-IBGZPJMESA-N 372.425 0.410 0 40 FCAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)nc2n1 14233137 RRHYMPHHXAFIFZ-UHFFFAOYSA-N 368.353 0.636 0 40 FCAB COC(=O)c1ccc2oc(=O)c(S(=O)(=O)N3CCN(C)CC3)cc2c1 15862243 QKOXTGADTDZGPL-UHFFFAOYSA-N 366.395 0.516 0 40 FCAB CC(=O)NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21 16890436 IWTWGVIXZXQFLS-UHFFFAOYSA-N 367.417 0.079 0 40 FCAB CC(C)CN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 22216980 YUJUWZWGUNNNBK-UHFFFAOYSA-N 372.425 0.782 0 40 FCAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCN(S(C)(=O)=O)CC1 24776457 KOXADWDHSYAUNY-UHFFFAOYSA-N 374.484 0.506 0 40 FCAB O=C(NCCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 32768534 NQDKNTLXICHWHS-UHFFFAOYSA-N 353.400 0.601 0 40 FCAB C[C@@H](C(N)=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 52115566 NMSYGFMIYQDTII-LBPRGKRZSA-N 369.443 0.028 0 40 FCAB CN1c2ncccc2C(=O)NC12CCN(C(=O)CN1CCCC1=O)CC2 72347124 NQGYHJLMTXIZLV-UHFFFAOYSA-N 357.414 0.202 0 40 FCAB CCN(CC)C(=O)CN1CCCN(CC(=O)Nc2nccs2)CC1 73616086 RVQSLPDOPNUQKA-UHFFFAOYSA-N 353.492 0.958 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@@H](C)C(=O)O)cc1 95970618 JVRJACDJFFPYDD-OCCSQVGLSA-N 354.428 0.985 0 40 FCAB CCS(=O)(=O)N1CC[C@@]2(CC(C(=O)Nc3cccnc3C)=NO2)C1 96226147 XDJAGUJXGWZMHQ-OAHLLOKOSA-N 352.416 0.899 0 40 FCAB Cc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)CC2 171456098 FQOBRRVHRVCPSX-KOLCDFICSA-N 369.472 0.446 0 40 FCAB O=C(c1ccncn1)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 247885338 WXMRSFXYNXVKCZ-CYBMUJFWSA-N 374.422 0.580 0 40 FCAB CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(CC(F)F)CC1 330575940 QQOFFNPVKQUAKC-CYBMUJFWSA-N 367.462 0.990 0 40 FCAB CN(c1ccn(C)n1)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 484554417 FLIUKDKEJJVCKV-UHFFFAOYSA-N 353.356 0.715 0 40 FCAB Cc1cn2nc(N[C@@H]3CCN(C(=O)c4ccn(C)c(=O)c4)C3)ccc2n1 584010104 DYAZYKSZTDQXTG-CQSZACIVSA-N 352.398 1.063 0 40 FCAB CCCS(=O)(=O)N1Cc2ccnn2[C@H](CNC(=O)c2cscn2)C1 585095331 NLNVIKGODIDBCU-GFCCVEGCSA-N 369.472 0.866 0 40 FCAB O=C(NC1CC1)c1nnc2n1CCN1CCN(C(=O)C3(F)CCC3)C[C@@H]21 585109971 XUFFZFZJNLQKKH-LBPRGKRZSA-N 362.409 0.261 0 40 FCAB O=C(c1cnco1)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@H]2C1 1549161926 QRHNHYPXSSYXQO-CQSZACIVSA-N 374.397 0.722 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)c1 1597960256 UEVFZBOVOZGELD-GFCCVEGCSA-N 367.427 0.671 0 40 FCAB Cc1nc(CN2CC[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@H]3CC2)cs1 2056223466 MZODIAUNCPQLKD-OKILXGFUSA-N 361.475 0.809 0 40 FCAB COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CCCN1CC1CC1 1846145 BTYDXWCTJDAEHA-ZDUSSCGKSA-N 367.471 0.947 0 40 FCAB in-man COc1cc(C(=O)NC(=S)Nc2nnn(C)n2)cc(OC)c1OC 2394110 KXSYPPVXOYARKR-UHFFFAOYSA-N 352.376 0.363 0 40 FCAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 2646932 CETWFIOFOHKZQP-UHFFFAOYSA-N 369.424 0.494 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)c2ccc(Cl)cc2)c(=O)n(C)c1=O 3243372 UJZUPVMGFOVDSC-UHFFFAOYSA-N 351.746 0.359 0 40 FCAB CN(Cc1ccco1)C(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 6637233 CDZCOIKVWPLNFU-UHFFFAOYSA-N 365.777 0.339 0 40 FCAB COC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O 9479214 SWXBFJSLFVSIJI-XXFAHNHDSA-N 355.341 0.883 0 40 FCAB CSc1nsc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1 9526064 MBOODQPSTGQWHG-UHFFFAOYSA-N 356.458 0.695 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]2c2ccccc2)CC1 10089677 AZOVHNBPERZOAP-MRXNPFEDSA-N 351.472 0.927 0 40 FCAB O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)N1CCOCC1 12086838 OSTBFKHSCXPSAI-UHFFFAOYSA-N 360.410 0.929 0 40 FCAB CC(C)NC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N(C)Cc1ccccc1 20465942 NQLUFLGZXHEUET-LTIDMASMSA-N 351.447 0.315 0 40 FCAB biogenic,in-vitro Cc1cccc(C)c1OC[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 23674271 XIFYLGXMYMYURS-ZDUSSCGKSA-N 358.398 0.490 0 40 FCAB CC(C)CN1CCO[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)C1 32270504 QDGXWIDXEKZFQC-MRXNPFEDSA-N 358.442 0.870 0 40 FCAB C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 61997236 VQUYNKNPSFGGHJ-GFCCVEGCSA-N 354.428 0.995 0 40 FCAB COC(=O)N1CC[C@@H](NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)C1 76041812 PPSAGWMXPAELPU-GFCCVEGCSA-N 366.418 0.588 0 40 FCAB C[C@H]1CN(C(=O)[C@H]2CC(=O)C[C@H]2C(=O)N2C[C@@H](C)O[C@H](C)C2)C[C@@H](C)O1 79067173 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Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)nn1C 1888879368 GURGSUNFCJYQOB-KBPBESRZSA-N 366.429 0.683 0 40 FCAB Cn1ncc2c(N3C[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]4C3)ncnc21 1888890512 UKBWSQAMMQQXGW-HUUCEWRRSA-N 362.393 0.985 0 40 FCAB OC[C@@H]1O[C@H](Nc2ccc(OC(F)(F)Cl)cc2)[C@@H](O)[C@H](O)[C@@H]1O 4185243 HYAPWJKIBHNHTO-KNZXXDILSA-N 355.721 0.066 0 40 FCAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CC(=O)c1ccccc1 4370649 COHKVTPYMZGGEI-UHFFFAOYSA-N 351.366 0.878 0 40 FCAB Nc1ccc(S(=O)(=O)N2CCOCCOCCOCCOCC2)cc1 4951709 IWEOWFILCJWUES-UHFFFAOYSA-N 374.459 0.340 0 40 FCAB O=C(O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 6645523 AAKPWRIZWQJRRP-LLVKDONJSA-N 358.391 0.817 0 40 FCAB C[C@H](C(=O)NCc1ccc(F)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 7029337 BZOHHPXEXZHLGE-SNVBAGLBSA-N 359.361 0.450 0 40 FCAB COc1cccc(CN(C)CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1OC 12915435 GCXVGSUFKAGDQG-KRWDZBQOSA-N 370.471 0.829 0 40 FCAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCN(C(=O)C2CC2)CC1 14121995 SHYCEIBFFRIGIW-UHFFFAOYSA-N 370.413 0.333 0 40 FCAB CC(=O)c1ccccc1OCCN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O 14242226 FNJBCMGTUHRWIG-ZDUSSCGKSA-N 368.411 0.623 0 40 FCAB C[C@@H](C(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1)N1CCCC1=O 19078357 UGABSZOTYLLOSO-UONOGXRCSA-N 358.442 0.906 0 40 FCAB C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1F)C(=O)NC(=O)NC1CC1 21977650 BYNYSPROPZLWHW-SSDOTTSWSA-N 373.362 0.007 0 40 FCAB O=C(NCc1ccccc1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 25089331 AZWRZYKHYWIJMR-OAHLLOKOSA-N 365.455 0.475 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CN2CCCc3c(F)cc(F)cc32)CC1 29921313 KUXOQZUYBIJZKL-UHFFFAOYSA-N 373.425 0.821 0 40 FCAB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)no1 34857568 SSGDIKYASQINPQ-UHFFFAOYSA-N 364.427 0.928 0 40 FCAB CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccnc1 36352871 HAYDTECVQIFEIZ-OLZOCXBDSA-N 354.432 0.531 0 40 FCAB COC(=O)[C@H](CCSC)NC(=O)CNC(=O)c1ccc(OC)cc1 41157396 LGPVYLBCVLQULP-ZDUSSCGKSA-N 354.428 0.836 0 40 FCAB COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c(O)c1 45069223 BVBLRCAOBJFBGA-UHFFFAOYSA-N 369.443 0.499 0 40 FCAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cccnc2)N(C)S(=O)(=O)N1 72335139 CDUGGOMFEOMSAJ-KBPBESRZSA-N 364.431 0.342 0 40 FCAB C[C@@H](C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)n1cncn1 95999344 JQSKZPMBDGHEEF-LBPRGKRZSA-N 361.427 0.442 0 40 FCAB O=C1NC[C@H](COc2ccccn2)[C@]12CCN(S(=O)(=O)C1CC1)C2 96218489 OMVIZBSLILALMS-MLGOLLRUSA-N 351.428 0.391 0 40 FCAB Cc1noc(-c2ccn3c(CNC(=O)c4ccc(=O)[nH]c4)nnc3c2)n1 225746324 FWLLMRBRWKNGJZ-UHFFFAOYSA-N 351.326 0.706 0 40 FCAB CN(C)C(=O)[C@@H]1CN(Cc2cnn(-c3ccccc3C(=O)O)c2)CCO1 257295014 QWPMUEYYKRWSAL-INIZCTEOSA-N 358.398 0.860 0 40 FCAB Cc1nc2sccn2c1CN1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 257331251 XRZSCMZFMFMNEL-TZMCWYRMSA-N 358.427 0.469 0 40 FCAB Cn1cc(CN2Cc3ccnn3[C@@H](C(=O)NCCc3ccncc3)C2)cn1 306128868 HNBZQMMNRDJDIC-GOSISDBHSA-N 365.441 0.927 0 40 FCAB CN1CCN(C(=O)Cn2cc(NC(=O)c3occ4c3CCOC4)cn2)CC1 585081772 ZOWQJJQKONWSCY-UHFFFAOYSA-N 373.413 0.575 0 40 FCAB Cn1ncc(Br)c1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 640867656 VSQVOAKKTNIVQE-JLLWLGSASA-N 357.252 0.900 0 40 FCAB C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1nnc2n1CCCCC2 642616553 MNRRQJAVGMKULT-VXGBXAGGSA-N 356.448 0.462 0 40 FCAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2cnn(C)c2)nn1 1888869738 BARMREZGERMAFL-PBWFPOADSA-N 366.447 0.715 0 40 FCAB O=C(c1ccc(O)nn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 2448791 WWWHBDDFGNHNKF-UHFFFAOYSA-N 366.374 0.468 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(N)=O)CC2)c(C)c1 2641377 WDBBZYDUWDHQMV-UHFFFAOYSA-N 353.444 0.402 0 40 FCAB COCCN(CCOC)C(=O)c1cc2c(=O)n3ccccc3nc2n1C 2916929 XWGFXKNBFPJPJK-UHFFFAOYSA-N 358.398 0.921 0 40 FCAB CCCC[C@H]1[C@H](C(=O)OCC)C(=O)NC1(C(=O)OCC)C(=O)OCC 4897382 KBGXJFCLAXHIMH-RYUDHWBXSA-N 357.403 0.967 0 40 FCAB CN(C)C(=O)CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 8358941 UWAJYSWCGMBGFC-UHFFFAOYSA-N 359.473 0.353 0 40 FCAB COc1ccc(N([C@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1 10283574 HVDREWFTOJHQRT-CYBMUJFWSA-N 369.443 0.150 0 40 FCAB COc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)cc1OC 13121860 OYHDFHMBDQHTQM-INIZCTEOSA-N 373.413 0.865 0 40 FCAB COC(=O)CNC(=O)[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C 30692834 JUSVQFVBVVINOZ-OAHLLOKOSA-N 352.387 0.747 0 40 FCAB C[C@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)N1CCNC1=O 32776023 LKYOHXCBNKYMAN-NSHDSACASA-N 358.354 0.653 0 40 FCAB CC(C)[C@H]1NC(=O)N(CC(=O)N(C)C[C@@H]2COc3ccccc3O2)C1=O 40067362 ARSKHUDUTDRNML-MLGOLLRUSA-N 361.398 0.861 0 40 FCAB CCc1[nH]c(C(=O)NCCN2CCS(=O)(=O)CC2)c(C)c1C(=O)OC 40154534 OBUHFFHVYBNDDM-UHFFFAOYSA-N 371.459 0.132 0 40 FCAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCOCC1 45282719 BBTOICLHNMQXEX-OAHLLOKOSA-N 356.382 0.490 0 40 FCAB COc1ccccc1NC(=O)Cn1ncc2c(c1=O)N(C)C(=O)CS2 65132355 HCCLPKMPHGEKFV-UHFFFAOYSA-N 360.395 0.959 0 40 FCAB CC(=O)N[C@@H]1Cc2ccc(S(=O)(=O)N(C)Cc3nonc3C)cc2C1 72345765 NZIVFDKTUHUWRM-CQSZACIVSA-N 364.427 0.802 0 40 FCAB CS(=O)(=O)N1CCOC[C@]2(CN(Cc3ccc(F)cc3)CCO2)C1 96049873 HNTUZJYJVRURDK-INIZCTEOSA-N 358.435 0.689 0 40 FCAB O=C(CNC(=O)c1ccccc1)NCc1nccc(N2CCOCC2)n1 224170962 UGANSQVPHZUASO-UHFFFAOYSA-N 355.398 0.359 0 40 FCAB Cc1nc(Cc2ccc(NS(C)(=O)=O)cc2)[nH]c(=O)c1CC(=O)O 226106032 DISZNCIHUAYBQE-UHFFFAOYSA-N 351.384 0.668 0 40 FCAB CCc1nc(CNC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(C5CCCC5)C(=O)[C@H]24)O3)no1 252311084 SDOISGIFHJKEQE-OYWVLEMYSA-N 372.425 0.973 0 40 FCAB C[C@@]1(O)CN(C(=O)c2cnccn2)CC[C@H]1n1cnc2c(N)ncnc21 257334795 YHKQLNMSAGCQKJ-BDJLRTHQSA-N 354.374 0.037 0 40 FCAB CC(C)c1noc(CCCNC(=O)N2CCc3c(ncn(C)c3=O)C2)n1 572064530 GFCADNCUOHBENA-UHFFFAOYSA-N 360.418 0.987 0 40 FCAB CN(C)S(=O)(=O)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 585104664 KPCUMDISABUGAT-ZDUSSCGKSA-N 350.506 0.796 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cccc(OCCOC)c2)C1 644036608 SRZHOTQKSZJWHW-SFHVURJKSA-N 350.415 0.815 0 40 FCAB CCN1C(=O)CC[C@H]1c1nc(CNS(=O)(=O)c2cccnc2)no1 1775964143 UGCWUYJFLJDQRM-NSHDSACASA-N 351.388 0.627 0 40 FCAB biogenic,in-vitro CCOC(=O)Cc1csc(NC(=O)Cn2nnc3ccccc3c2=O)n1 4898538 QUFUMYXHUVAALI-UHFFFAOYSA-N 373.394 0.992 0 40 FCAB C[C@H](CCc1ccccc1)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 6082795 UFHLITMLDWZKKF-CYBMUJFWSA-N 369.425 0.571 0 40 FCAB COCCNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccncc1 9422652 NOLSLQOHPBDKKI-UHFFFAOYSA-N 356.382 0.713 0 40 FCAB O=C(NCCN1C(=O)CSC1=O)c1ccc(N2C(=O)CCC2=O)cc1 19332170 GSXYAJQZNXRBQM-UHFFFAOYSA-N 361.379 0.765 0 40 FCAB C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52110759 WUHBZZYUHDQNGG-SECBINFHSA-N 356.785 0.820 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)NCCc2nc(C)no2)cc(C)c1C 60242140 NWFOSOICVAEWFM-UHFFFAOYSA-N 352.416 0.875 0 40 FCAB COc1cc(N2CCC3(CCOC[C@@H]3NS(C)(=O)=O)CC2)ncn1 96216691 AFZULFCKVZXPKP-LBPRGKRZSA-N 356.448 0.410 0 40 FCAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(c3cc(OC)ncn3)CC2)O1 96243540 BIJVGELUQOEKSZ-GFCCVEGCSA-N 358.402 0.322 0 40 FCAB Cn1c(CN2[C@@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)cc(=O)n(C)c1=O 180686621 OULMKIZJXWOZDT-NDGTYSDOSA-N 367.471 0.424 0 40 FCAB CCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1 225882129 CDSQZPFRRCQYEM-UHFFFAOYSA-N 352.464 0.456 0 40 FCAB Cn1cc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)cn1 306142426 WZEKLWVTUAKFEG-UONOGXRCSA-N 355.446 0.598 0 40 FCAB CC(=O)N1CCOC[C@@](O)(CC(=O)NC2(c3ccc(F)cc3)CC2)C1 585280963 QVBPMGZLQWFXJB-QGZVFWFLSA-N 350.390 0.931 0 40 FCAB O=C(CN1CCCC[C@@H](O)C1=O)N1CCN(c2ncccc2F)CC1 644409949 OHYQZMIJBIDCIF-CQSZACIVSA-N 350.394 0.243 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCc2nnc(COc3ccccn3)n2CC1 1142640012 IMNLJHMBDNKULI-LAQFHYBYSA-N 355.398 0.529 0 40 FCAB CCN1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C[C@@]12CCOC2 1615589816 VPDGQNKJATZYBG-GOSISDBHSA-N 366.462 0.420 0 40 FCAB COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)Cn1ccc(=O)c2ccccc21 1639380208 GZPOAOALVHOMSJ-CQSZACIVSA-N 354.366 0.625 0 40 FCAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2 2326682 DRAXKNMLAHLXSH-SNVBAGLBSA-N 362.773 0.802 0 40 FCAB COc1ccc(O[C@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@H](O)[C@@H]2NC(C)=O)cc1 4275863 HIJHNNAKJPQRND-ALYAQQCSSA-N 367.398 0.816 0 40 FCAB COCCN1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148087 UEGPGQQVWRIWFN-UHFFFAOYSA-N 368.397 0.304 0 40 FCAB COCCNC(=O)c1nc(O)c2nnn(Cc3cc(C)ccc3C)c2n1 8772991 OSCZKVGCILXXRJ-UHFFFAOYSA-N 356.386 0.968 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]2c2cccs2)CC1 14182399 IJOBZQXZRXALQP-ZDUSSCGKSA-N 357.501 0.989 0 40 FCAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(F)cc2N)CC1 18749390 BFWYMKWCIZZZSM-UHFFFAOYSA-N 353.350 0.865 0 40 FCAB CC1=C(CC[C@@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 31168488 UJRMJTIXXKZFGB-DGJKUZGGSA-N 374.474 0.469 0 40 FCAB biogenic,in-vitro O=C(O)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058363 GUWSKPVCDURTIF-ZDUSSCGKSA-N 358.391 0.960 0 40 FCAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCCN1CCOCC1 44922211 SSMDXTICWDDAPK-UHFFFAOYSA-N 351.451 0.543 0 40 FCAB CCN(CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 53053239 GWTCFAZDKWWZIJ-UHFFFAOYSA-N 358.442 0.462 0 40 FCAB CCN1C(=O)C[C@H](N2CCN(c3ncc(Br)cn3)CC2)C1=O 55119961 ZRBQFJQJEAVQSJ-NSHDSACASA-N 368.235 0.509 0 40 FCAB O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCC2(CC1)OCCO2 70641315 PQJBOSFOUZOEOB-MRXNPFEDSA-N 360.410 0.780 0 40 FCAB CCCC(O)(CCC)CNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 79111349 VVSBVZAUBALZMB-UHFFFAOYSA-N 353.467 0.831 0 40 FCAB COc1ccc(CNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)cn1 96005122 BQSVDMQWVATAFS-UHFFFAOYSA-N 353.444 0.911 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2cccn2C)C[C@@]2(CNC(=O)C2)C1 96036008 FOSSRNUGYCKOBA-GOSISDBHSA-N 361.446 0.407 0 40 FCAB COc1ncccc1CN1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1 96107870 WWZWTTUUDQGGSR-GOEBONIOSA-N 355.460 0.763 0 40 FCAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCc3n[nH]c(=O)cc3C2)CC1 217568244 NWLDAKJYRREBBC-LBPRGKRZSA-N 362.430 0.954 0 40 FCAB Cc1ncn(CC(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)c(=O)c1C 238915910 SNLVRQXVVVAARG-HUUCEWRRSA-N 370.409 0.022 0 40 FCAB O=C(NCCn1nnc2ccc(F)cc2c1=O)[C@@H]1COc2ccccc2O1 253399866 KCALLRPUVBNZJY-INIZCTEOSA-N 370.340 0.887 0 40 FCAB CN(C(=O)CCC(=O)O)[C@H]1CCC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257254351 KCRRGTJDNPICBB-BHDSKKPTSA-N 362.390 0.186 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)CN2CCCC2=O)CCN1CCc1ccccc1 257262097 LKADYQFKAVSGRC-QGZVFWFLSA-N 372.469 0.110 0 40 FCAB Cn1cccc1C(=O)NC[C@H]1CO[C@@H]2CN(c3ccc4nncn4n3)C[C@H]12 306124272 BLFPBCSEXZGRLG-GZBFAFLISA-N 367.413 0.344 0 40 FCAB Cc1cc(N2Cc3ccnn3[C@@H](CN3CCCC3=O)C2)n2ncnc2n1 306139486 SYLQXHAGOKFARK-AWEZNQCLSA-N 352.402 0.813 0 40 FCAB O=C(c1cc(O)nc(C2CC2)n1)N1CCN(S(=O)(=O)C2CC2)CC1 529715623 BZGWAQYCLIHBLK-UHFFFAOYSA-N 352.416 0.310 0 40 FCAB Cc1cc(C)c(S(=O)(=O)N(CCN)[C@@H]2CCS(=O)(=O)C2)cc1C 575424606 UINAZLLLKFFATM-CQSZACIVSA-N 360.501 0.748 0 40 FCAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)Cc2ccccn2)[C@@H]2CCO[C@@H]12 585109375 MFCSKUCXDZMFCO-LMMKCTJWSA-N 366.421 0.951 0 40 FCAB CC1CC(C(=O)N2CCN3CCn4c(C(=O)NC5CC5)nnc4[C@@H]3C2)C1 585109863 CGVBSRWYYXJYNU-YIZWMMSDSA-N 358.446 0.415 0 40 FCAB COc1ccccc1CN(C)C(=O)Cn1cc([C@@H]2CNC[C@H]2OC)nn1 643618185 GASSFQCHQIWDRE-WMLDXEAASA-N 359.430 0.647 0 40 FCAB CCN=c1nc(N2CCN(c3ncccc3S(C)(=O)=O)CC2)cc[nH]1 1889118458 YMLHLZGEQFHGEL-UHFFFAOYSA-N 362.459 0.455 0 40 FCAB O=C(NC[C@H]1CC[C@@]2(COCCN(C(=O)C3CC3)C2)O1)c1ccnnc1 2055793508 MXYQWBVBFZHNFQ-CRAIPNDOSA-N 360.414 0.393 0 40 FCAB Nn1cnn2c(SCC(=O)Nc3ccc(Br)cn3)nnc12 1436902 QYRLUOFFMIKKCH-UHFFFAOYSA-N 369.208 0.528 0 40 FCAB Cn1nnnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 3513155 NJBCEXCNANKADU-UHFFFAOYSA-N 350.360 0.422 0 40 FCAB Cc1c(C)n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nnc2[nH]c1=O 4250424 FWZWECQSUQXAKL-UHFFFAOYSA-N 372.410 0.864 0 40 FCAB COC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O 4933195 KJFKTUQKRSPVCY-NTUHNPAUSA-N 371.349 0.880 0 40 FCAB COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cnc(C)cn3)C2=O)c1 8735085 BTMAYMSSFDBLFL-KRWDZBQOSA-N 355.354 0.906 0 40 FCAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCc2ccccc2)n1 9037372 KJNZWKKTUGKBDH-UHFFFAOYSA-N 366.381 0.827 0 40 FCAB COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10434254 QQCVTHDKVSSDMK-UHFFFAOYSA-N 369.443 0.930 0 40 FCAB NC(=O)c1nc([C@@H]2CCOC2)nc2c1[nH]c(=O)n2CCc1ccccc1 12145954 BVEPAOVJOLLCBL-GFCCVEGCSA-N 353.382 0.965 0 40 FCAB Cc1nc2cc(NC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)ccc2o1 12539605 RLBHMVNPUJNJPD-UHFFFAOYSA-N 368.353 0.522 0 40 FCAB CCOC(=O)C1=C(COC(=O)c2cc(OC)cc(OC)c2)NC(=O)NC1 12929806 RCEABJAJSDCDMQ-UHFFFAOYSA-N 364.354 0.991 0 40 FCAB O=S1(=O)C[C@H](N2CCOCC2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 13371439 WKRBNXKFFOPFTK-KBPBESRZSA-N 363.432 0.097 0 40 FCAB C[C@H](CN1CCOCC1)C(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19456274 GBRTUDAWLIAJFG-HZPDHXFCSA-N 373.501 0.797 0 40 FCAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)Cn1nnc2ccccc21 19748997 AHGUEZWEDZSQGV-ZDUSSCGKSA-N 365.459 0.752 0 40 FCAB Cc1cccc2c(=O)[nH]c(CN3CCN(CC(=O)NC4CC4)CC3)nc12 22912559 JNKDTGSGLLBFIZ-UHFFFAOYSA-N 355.442 0.628 0 40 FCAB O=C(c1cnn(C(=S)NCCN2CCOCC2)c1)c1ccccc1O 23409355 OFHKXOGKDZQVJA-UHFFFAOYSA-N 360.439 0.875 0 40 FCAB Cn1ncc2c(NCCCN3CCN(c4ncccn4)CC3)ncnc21 32760693 LUWREZNOCXATPD-UHFFFAOYSA-N 353.434 0.778 0 40 FCAB O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)NC(=O)NC1CCCCC1 35413808 YYUSEJMXROVBBM-OAHLLOKOSA-N 366.462 0.468 0 40 FCAB COC(=O)c1ccc(OC)cc1OCC(=O)N1CCN(C(C)=O)CC1 48264655 QSAROPCQKRWILC-UHFFFAOYSA-N 350.371 0.551 0 40 FCAB COCCCS(=O)(=O)NCC(=O)N[C@@H](C)c1cc(OC)ccc1OC 89904598 OFDSUGCCLGWGJF-LBPRGKRZSA-N 374.459 0.837 0 40 FCAB O=C(Cn1nc(-c2ccco2)ccc1=O)NCCc1nnc2ccccn12 95480381 UPZJWJNTUFIAOI-UHFFFAOYSA-N 364.365 0.905 0 40 FCAB O=C(O)COCC(=O)N1C[C@H](OCc2nc3ccc(F)cc3[nH]2)[C@H](F)C1 96112044 GJVGPQMJAPLTKB-MFKMUULPSA-N 369.324 0.869 0 40 FCAB biogenic,in-vitro Cc1nn(C)c(C)c1CCNC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21 96800530 WMADPSBXEVAZDC-INIZCTEOSA-N 369.425 0.530 0 40 FCAB Nc1nccnc1[C@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)CCO1 257304772 SNCIEUIRTRPISL-CYBMUJFWSA-N 351.370 0.853 0 40 FCAB CC(=O)NCc1cnn(-c2ccccc2C(=O)N2CCC[C@@H](C(N)=O)C2)c1 257311260 UISFUOQFGRFUCV-OAHLLOKOSA-N 369.425 0.846 0 40 FCAB CN(C)S(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccccc1 409406187 AQDPYRMPWPQQSX-UHFFFAOYSA-N 368.459 0.023 0 40 FCAB Cn1c(N2CC[C@@](C(=O)O)(C(F)(F)F)C2)nc2c1c(O)nc(=O)n2C 567983411 GIEMJTHTAWHGDM-GFCCVEGCSA-N 361.280 0.216 0 40 FCAB O=C(c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 646649119 OUKKAUFCJQDQIJ-FVQHAEBGSA-N 373.434 0.615 0 40 FCAB Cn1cc(N2C[C@]3(COCCN(C(=O)C4(F)CCC4)C3)OCC2=O)cn1 1565546198 VLBAWEFRIWUOKN-MRXNPFEDSA-N 366.393 0.273 0 40 FCAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4cccn(C)c4=O)C[C@@H]3C2=O)cs1 1565553548 CVYUIQJWTLCFDG-DOMZBBRYSA-N 372.450 0.881 0 40 FCAB COCCNC(=O)c1cnc2n1[C@H](CNC(=O)CC1(O)CCC1)CC2 1614929069 JOHCGKRDPOBXKG-LBPRGKRZSA-N 350.419 0.168 0 40 FCAB O=C(Cc1nnc(-c2ccccc2)o1)NCCN1CCCS1(=O)=O 1631457426 JWNMLMNMKJPOEX-UHFFFAOYSA-N 350.400 0.431 0 40 FCAB O=C(NCc1ccco1)C(=O)NC[C@@H](O)c1ccc(-n2cccn2)cc1 1888985976 MKLAYMMVPMHDIW-MRXNPFEDSA-N 354.366 0.931 0 40 FCAB COC(=O)[C@H](CC(C)C)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 2223446 UENKVAOVDDHSBB-AWEZNQCLSA-N 371.459 0.763 0 40 FCAB Cn1c(=O)c2c(nc3n2C[C@@H](COc2ccc(Cl)cc2)O3)n(C)c1=O 4371071 OLYHCUZUAOKXMS-NSHDSACASA-N 362.773 0.927 0 40 FCAB CCOCCn1c(CN2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C 4930396 SFZFXHVSTLGRON-ZDUSSCGKSA-N 363.462 0.845 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)NCc2cccc(Cl)c2)n(C)c1=O 6025441 XKHHIAFFXVEBSR-UHFFFAOYSA-N 361.789 0.404 0 40 FCAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C(N)=O)CC1 8193754 URQICDZFHWOJJR-ZDUSSCGKSA-N 373.500 0.775 0 40 FCAB O=C(NCC(=O)N1CCN(c2ncccn2)CC1)NCc1ccccc1 12608038 HMJQGKKSAWSWRR-UHFFFAOYSA-N 354.414 0.625 0 40 FCAB COC(=O)c1ccc(C)c(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1 12818609 RDJKSPIMKLKQKH-UHFFFAOYSA-N 368.349 0.969 0 40 FCAB CN1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)[C@@H](c2ccccc2)C1 30030637 DKWLZPFNZLWJRP-MRXNPFEDSA-N 366.425 0.645 0 40 FCAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1nccs1 32074491 VRRVTQKGOKDLKR-UWVGGRQHSA-N 360.461 0.593 0 40 FCAB CC(=O)Nc1cccc(-n2nnnc2SCC(=O)N2CCCC2=O)c1 32772326 QBZUKBSYCPVQBH-UHFFFAOYSA-N 360.399 0.862 0 40 FCAB COCCNC(=O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 39998278 YLOMTMGHYPIRMA-UHFFFAOYSA-N 357.458 0.753 0 40 FCAB Cn1nc(C(=O)N2CCCCCC2)cc1OCC(=O)N1CCOCC1 57312513 MSFDNBQEWWSETI-UHFFFAOYSA-N 350.419 0.674 0 40 FCAB O=C(Cn1c(-c2ccccc2)noc1=O)N1CCN(C(=O)C2CC2)CC1 58202654 ZMJHVXNANHIDMS-UHFFFAOYSA-N 356.382 0.584 0 40 FCAB Cc1cnn(CCC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 81213703 VZPFDWYIUXPCCR-UHFFFAOYSA-N 367.431 0.244 0 40 FCAB NC(=O)[C@H]1CC(C(=O)N2CCOC[C@@H]2C2CC2)=NN1c1ccc(F)cc1 89975398 FOJVVQULRQBHIO-HZPDHXFCSA-N 360.389 0.883 0 40 FCAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 92570196 ZYXYTGUHZNOYFE-CQSZACIVSA-N 363.443 0.480 0 40 FCAB Cn1cc(N2C[C@@]3(COCCN(Cc4ccncc4)C3)OCC2=O)cn1 96051437 OBBBQPBKMPMEFP-SFHVURJKSA-N 357.414 0.450 0 40 FCAB CC(C)NC(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(Cc3cnn(C)c3)C[C@H]12 96250934 RHCHTZGJCGQULX-RRFJBIMHSA-N 354.476 0.180 0 40 FCAB CC(C)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 227168502 PLDPHSMKLKYILY-JTQLQIEISA-N 355.416 0.599 0 40 FCAB Cc1cc([C@H]2CCCCN2C(=O)CNS(C)(=O)=O)nc2ccnn12 257261492 LHOBSWOULHIANI-CYBMUJFWSA-N 351.432 0.641 0 40 FCAB CC(=O)N1CCN(C[C@]2(O)CCN(C(=O)/C=C/c3ccccc3)C2)CC1 257270255 MTIWRIOMISHRBO-AQKVLALTSA-N 357.454 0.827 0 40 FCAB CN1CCOC[C@@]2(CC[C@@H](CNS(=O)(=O)Cc3ccccc3)O2)C1 306126795 FFNICLWKPHLARB-DLBZAZTESA-N 354.472 0.986 0 40 FCAB Cc1ccc(NC(=S)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575420083 FKDNJCHNMKWSMV-RYUDHWBXSA-N 358.441 0.236 0 40 FCAB CCN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1cccc2cccnc12 575424962 CWDLEICJGOXYPJ-CHWSQXEVSA-N 370.452 0.403 0 40 FCAB CN(C)CCOC[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2nnn(C)c21 1565552527 YMNOLPXJKSSGNH-CYBMUJFWSA-N 374.445 0.998 0 40 FCAB COC1(CC(=O)N2Cc3nnn(C)c3[C@H](COCCN(C)C)C2)CCC1 1614929605 PEHTYNYPCOJTQJ-AWEZNQCLSA-N 365.478 0.778 0 40 FCAB Cn1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)n1 2037984503 CTFWDAVADINHMH-FRFSOERESA-N 358.373 0.682 0 40 FCAB CNC(=O)[C@@]1(n2cccn2)CCCN(S(=O)(=O)c2ccc(F)cc2)C1 2055772867 OIDFVZQCSTXVHE-MRXNPFEDSA-N 366.418 0.948 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)O)CC2)cc1 2393649 QRSDVGMROQJSIR-LBPRGKRZSA-N 354.428 0.985 0 40 FCAB CSc1cccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c1 2853906 STLAIWDUGULBFW-UHFFFAOYSA-N 359.411 0.794 0 40 FCAB COc1ccc(COC[C@@H](O)CN2CCC(C(N)=O)CC2)cc1OC 3418234 FEYNTRYXHMEGAI-HNNXBMFYSA-N 352.431 0.779 0 40 FCAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1 4317884 ZNNSXMXKOQZJKE-GFCCVEGCSA-N 373.413 0.603 0 40 FCAB CN(C(=O)CN1C(=O)NC2(CCCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 5320221 CKZMXOPEJKKOLV-GFCCVEGCSA-N 371.459 0.277 0 40 FCAB CCCCN1C[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O 8270718 ICCQROAQDAEAMW-CQSZACIVSA-N 367.471 0.641 0 40 FCAB CNC(=O)c1cnc(C)nc1CCNS(=O)(=O)c1ccccc1OC 19697177 CAVFKYCRLKWYQF-UHFFFAOYSA-N 364.427 0.674 0 40 FCAB CCN(C(C)=O)c1nc(COC(=O)CC[C@H]2NC(=O)NC2=O)cs1 23192218 VBDIKNPDPAHGKT-SNVBAGLBSA-N 354.388 0.547 0 40 FCAB CCOC(=O)N1CCC(NC(=O)CNC(=O)COc2ccccc2)CC1 24472670 HWZDSYUUJKGLSG-UHFFFAOYSA-N 363.414 0.919 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](O)c2ccco2)CC1 27205104 NPCXBKBBKTULBB-ZDUSSCGKSA-N 355.416 0.924 0 40 FCAB CCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N(C)C)cc(C)c1C 31072913 SUWCIJMFKDIYRG-UHFFFAOYSA-N 356.448 0.811 0 40 FCAB NC(=O)COc1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 32777906 RPPVLCJWLLUYQQ-UHFFFAOYSA-N 371.349 0.445 0 40 FCAB Cc1n[nH]c(=O)c2c(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)oc(C)c12 32819273 ITJPDNDRDPODEH-SNVBAGLBSA-N 368.415 0.190 0 40 FCAB CC(=O)c1cccc(NC(=O)CNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 36357763 ZRYSFHSRCWGBBP-ZDUSSCGKSA-N 353.400 0.314 0 40 FCAB CC(C)C(=O)NCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 37114775 HQLGLPBMOFHKKC-UHFFFAOYSA-N 353.444 0.511 0 40 FCAB CC(=O)N1CCN(CC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)CC1 37187906 NUVCKCHPZFMAAV-GOSISDBHSA-N 373.432 0.929 0 40 FCAB C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H]3O[C@@]312 38647150 MJJGOAZIKWEYHG-APPPZISSSA-N 374.433 0.689 0 40 FCAB in-vitro Cc1cc(C)cc(OC[C@H](O)CN2CCN(S(=O)(=O)N(C)C)CC2)c1 40071818 QGBKWUYCJWJWQI-MRXNPFEDSA-N 371.503 0.467 0 40 FCAB Cc1cc(=O)c(C(=O)N[C@@H](C)C(=O)N2CCOCC2)nn1-c1ccccc1 58277619 LEYFYAGFYKIKHW-AWEZNQCLSA-N 370.409 0.518 0 40 FCAB CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(S(C)(=O)=O)CCC2 96197648 DDUDBVQIBFEVIS-UHFFFAOYSA-N 356.448 0.071 0 40 FCAB Cc1cc(C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)[nH]n1 96230495 NTKPJVLQFLEHCH-GOSISDBHSA-N 354.414 0.676 0 40 FCAB O=C(CN1C(=O)CCC1=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206841111 DUGAKUXHDULJMB-CYBMUJFWSA-N 370.365 0.811 0 40 FCAB N=C(O)N1CCN2C(=O)N(CC(=O)N3CCc4ccccc4C3)C(=O)[C@H]2C1 330074910 LLSGIOBKZCBGKZ-CQSZACIVSA-N 371.397 0.012 0 40 FCAB COc1nn(C)cc1C(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 1147021087 PGBRKBXPKAAFFK-KRWDZBQOSA-N 358.402 0.431 0 40 FCAB COc1cnc(C(=O)N2C[C@H]3OCCN(Cc4ccncc4)[C@@H]3C2)nc1 2055747912 ZACXSVGKKWXHHL-HZPDHXFCSA-N 355.398 0.606 0 40 FCAB CCN1C(=O)[C@@H](CC(N)=O)N(NC(=O)c2ccc(Cl)cc2)C1=S 662349 RYYGIWGBOAWOLZ-SNVBAGLBSA-N 354.819 0.678 0 40 FCAB CCOC(=O)c1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(C)=O)cc1 4917222 CLQATPGATJFXSE-CQSZACIVSA-N 370.427 0.741 0 40 FCAB Cn1c(=O)n(CC(=O)NCCCO)c(=O)c2c3c(sc21)CCCC3 6764238 MEJQREJIISNVER-UHFFFAOYSA-N 351.428 0.139 0 40 FCAB Cc1cc(=O)n2nc(CC(=O)N3CCN(c4ccccc4F)CC3)nc2[nH]1 9341368 GNGHUECYESFJNP-UHFFFAOYSA-N 370.388 0.756 0 40 FCAB CN(C)CCNC(=O)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421595 NYUWIAWDPAJVSY-SNVBAGLBSA-N 351.842 0.901 0 40 FCAB CS(=O)(=O)NC1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 10666764 VQBMSBMMZRJTMS-UHFFFAOYSA-N 354.428 0.888 0 40 FCAB C[C@@H]1CN(CCCNC(=O)Cn2nc(O)c3ccccc3c2=O)C[C@@H](C)O1 12752586 OVARFZQNJLIHEQ-ZIAGYGMSSA-N 374.441 0.718 0 40 FCAB O=C(NCCO)C(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21 13625393 PZLNFNWKWHPCGU-INIZCTEOSA-N 353.378 0.499 0 40 FCAB Cc1cccc(-c2noc(C(=O)NCCNC(=O)c3cnccn3)n2)c1 15082200 OKIDPWOTQUZMMS-UHFFFAOYSA-N 352.354 0.995 0 40 FCAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 16576570 IVLZIASUIHZHQM-ZDUSSCGKSA-N 372.443 0.237 0 40 FCAB CC(=O)OCC1=C(COC(C)=O)[C@H]2O[C@@H]1[C@@H](OC(C)=O)[C@@H]2OC(C)=O 17021817 TWKWAKDBYKUGBZ-QKPAOTATSA-N 356.327 0.054 0 40 FCAB Cc1c(CC(=O)NCCN2CCOCC2)c(=O)oc2cc(O)cc(O)c12 20548638 HXNCFMDGHIDAIH-UHFFFAOYSA-N 362.382 0.504 0 40 FCAB COc1cc(C)c(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1OC 24649918 RMSPQNUZKAGBPP-UHFFFAOYSA-N 357.432 0.866 0 40 FCAB Cn1c(=O)ccn(CC(=O)NCCNc2ccc(C(F)(F)F)cn2)c1=O 25007584 YYRUOOKYEHOYRY-UHFFFAOYSA-N 371.319 0.189 0 40 FCAB COC(=O)CCN(C(=O)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 32641441 QGOPVOKFYVSQTM-CQSZACIVSA-N 369.439 0.817 0 40 FCAB NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21 57428219 QKVZZWJTFHWACQ-UHFFFAOYSA-N 359.363 0.487 0 40 FCAB C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)NC1CCCC1 58202935 BPIQPBIKGVSYBK-ZDUSSCGKSA-N 367.471 0.919 0 40 FCAB CCN(C(=O)CN(C)[C@@H]1CCCc2c1cnn2C)[C@H]1CCS(=O)(=O)C1 89960934 DTEWPSFEZOELOE-DZGCQCFKSA-N 368.503 0.765 0 40 FCAB CS(=O)(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCc3cccnc3)[C@H]2C1 96043481 WZWWWYHXXNFGEZ-RBSFLKMASA-N 353.444 0.384 0 40 FCAB CN(C)CCNC(=O)[C@H]1C[C@@]2(CO1)CN(C(=O)N(C)C)c1ccccc12 96262889 XMZUCVLCUGVFBG-APWZRJJASA-N 360.458 0.893 0 40 FCAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc2c(c1)OCO2 218143501 JIVZNEBULDJISC-DZKIICNBSA-N 355.412 0.824 0 40 FCAB CCn1c(=O)oc2cc(S(=O)(=O)NCCSc3ncn[nH]3)ccc21 223031959 BGTUUGURMUIPQW-UHFFFAOYSA-N 369.428 0.803 0 40 FCAB Cc1cc(N2CCOCC2)nc(NC(=S)NCCN2CCOCC2)n1 225905138 KPLOURASXMKFHO-UHFFFAOYSA-N 366.491 0.240 0 40 FCAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)/C=C/C(=O)O)C2)c2cnccc2n1 257202678 AMVXWKIFTHMRAX-RTLBZRNLSA-N 370.409 0.979 0 40 FCAB CC(=O)N1[C@@H](CNC(=O)Cc2nonc2C)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257241459 HYCFDNXHONIXJK-NYCLONFESA-N 364.446 0.967 0 40 FCAB CN(C)S(=O)(=O)CCC(=O)N1CCN(c2cccc(F)c2F)CC1 331155204 JJBDKXNWBYRODS-UHFFFAOYSA-N 361.414 0.895 0 40 FCAB Cc1cnn(C)c1S(=O)(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)O 575821899 DIJQVSSGDYWQEH-GFCCVEGCSA-N 357.363 0.678 0 40 FCAB CC(=O)N1CC(NS(=O)(=O)c2c[nH]c3ncc(Br)cc23)C1 585094126 FACFARCHOFUZEP-UHFFFAOYSA-N 373.232 0.834 0 40 FCAB CCn1nc(C(C)C)cc1C(=O)N1CCO[C@](COC)(CC(N)=O)C1 585277069 FRTZBWLTHHZCDH-QGZVFWFLSA-N 352.435 0.759 0 40 FCAB O=c1ccc(-n2cncn2)nn1CC1CCN(c2ncc(F)cn2)CC1 585500282 DXMGDIWLXJPGML-UHFFFAOYSA-N 356.365 0.670 0 40 FCAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3cncn3C)CC2)OC[C@]1(C)O 643913733 FAXXOWGBXGDJEE-IRXDYDNUSA-N 350.463 0.773 0 40 FCAB Cc1cc(CN2CCN(C(=O)CN3CCCC[C@H](O)C3=O)CC2)no1 644277756 YXEOGIVLXRQXPN-HNNXBMFYSA-N 350.419 0.001 0 40 FCAB CCCc1nnc(NC(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)s1 644281567 ZVQPDCOLRYDTOS-OAHLLOKOSA-N 355.464 1.328 0 40 FCAB Cn1cnc(C(=O)N2CC[C@@H]3C[C@@H](C(=O)NCc4ccco4)O[C@H]3C2)n1 1565548384 BNWSQZGBQHIPGO-XBFCOCLRSA-N 359.386 0.344 0 40 FCAB COC1(CC(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCN(C)CC3)C2)CCC1 1565551930 UUPKERNHXFWBCW-BZUAXINKSA-N 365.474 0.336 0 40 FCAB CC(C)OC(=O)c1cccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)c1 2606988 MBHUNHSPKNDVNZ-UHFFFAOYSA-N 364.383 0.754 0 40 FCAB CN(C(=S)SCC1=CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 3156163 LLZLTLNDJSZBGN-SNVBAGLBSA-N 355.528 0.478 0 40 FCAB CC(C)CNC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 5689123 JTQIQLIDEJJYBD-UHFFFAOYSA-N 373.500 0.967 0 40 FCAB CCSc1nc(N2CCOCC2)c2cnn(CCNC(C)=O)c2n1 8793723 DTMYTUGZMVBLQN-UHFFFAOYSA-N 350.448 0.911 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc2c(c1)CCC2 12622796 JMJLMTNRBIEWKQ-AWEZNQCLSA-N 352.412 0.228 0 40 FCAB CCN1CCN(C(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)CC1 20245788 CUUMJDBKMXAONG-UHFFFAOYSA-N 354.476 0.707 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)C3CC3)CC2)cc1 22733038 ANUUBPVMMLZEDH-UHFFFAOYSA-N 351.472 0.828 0 40 FCAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(-n4cnnn4)cc3)ccc21 22903337 IFIFSORXHBFLPV-UHFFFAOYSA-N 372.366 0.908 0 40 FCAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC(=O)NC(C)C)c1 24340791 AVEUIKWDRDEDNH-UHFFFAOYSA-N 361.851 0.845 0 40 FCAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 31550190 JAVGTSMADIUGAU-UHFFFAOYSA-N 359.385 0.087 0 40 FCAB Cc1nnsc1C(=O)NCCn1nc(-c2cccs2)n(C)c1=O 36708609 WJBKSMRTGXEWMJ-UHFFFAOYSA-N 350.429 0.900 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccccc2F)cc1 38717279 GWMRXPZAPCQNIE-UHFFFAOYSA-N 351.359 0.728 0 40 FCAB COC(=O)[C@H]1CC(=O)N(c2ccc(N3C[C@@H](C(=O)OC)CC3=O)cc2)C1 45953686 QAOBUIYOFZZOEG-RYUDHWBXSA-N 360.366 0.738 0 40 FCAB COc1cccc(C[C@@H](C(=O)NCCCn2cncn2)n2nnnc2C)c1 48291056 NULZUJWZWCCAFI-INIZCTEOSA-N 370.417 0.572 0 40 FCAB COC(=O)c1ccccc1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 56326221 OVWHHGKQSZMKEI-UHFFFAOYSA-N 374.397 0.428 0 40 FCAB Cc1cnc(NC(=O)c2cc(OCC(=O)N3CCOCC3)n(C)n2)s1 57312506 HLIYRGQUGOLBCM-UHFFFAOYSA-N 365.415 0.675 0 40 FCAB O=C(Cn1cccn1)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 58174323 VQYKHJOYAHAHEZ-UHFFFAOYSA-N 359.405 0.877 0 40 FCAB O=C(N[C@@H]1CCSC1=O)C1CN(C(=O)COc2ccccc2F)C1 70637463 GCSCOOPMTFQSHA-GFCCVEGCSA-N 352.387 0.811 0 40 FCAB COc1nn(C)cc1C(=O)N1CCC(C(=O)NCc2nc(C)no2)CC1 70655667 GQHPCOYDHOPEGH-UHFFFAOYSA-N 362.390 0.289 0 40 FCAB COC[C@H](Cn1cncn1)OC(=O)c1ccc(N2CCNC2=O)c(C)c1 89589020 VFRGTMYPPBWIET-AWEZNQCLSA-N 359.386 0.988 0 40 FCAB CCn1ccnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1=O 90998855 CERCRTDMAVCRNG-UHFFFAOYSA-N 362.455 0.915 0 40 FCAB CN(C)C(=O)COC[C@@H]1CN(CC2CCOCC2)Cc2ncn(C)c21 96044884 UZHXFXBEYACRRR-HNNXBMFYSA-N 350.463 0.851 0 40 FCAB O=C([C@H]1CCCO1)N1CCO[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96074871 AAUJNMVJDYEQEX-PBHICJAKSA-N 350.394 0.993 0 40 FCAB CCCS(=O)(=O)N1CCc2c(CNc3ncccn3)nn(C)c2C1 96090966 BSVSMLLESZOFTP-UHFFFAOYSA-N 350.448 0.920 0 40 FCAB CCC(=O)N1CCC2(CC1)O[C@H](C(=O)N1CCOCC1)Cn1ccnc12 96243722 RXYXUCFRHXPNCL-AWEZNQCLSA-N 362.430 0.368 0 40 FCAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3cc(Cl)ccc3OC)C(=O)[C@@H]12 100639772 JKNBQCGXSBPIGB-GHMZBOCLSA-N 351.746 0.729 0 40 FCAB Cc1cnn(CC(=O)N2C[C@@H]3OCC(=O)N(CCc4ccccc4)[C@H]3C2)c1 257211316 BYLDEUHBIRXPNH-ROUUACIJSA-N 368.437 0.872 0 40 FCAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)CN2CCCC2)C1 257244826 IMZXTPYUSRNZLD-CYBMUJFWSA-N 354.476 0.690 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NC[C@@]1(O)CCCN(c2cnccn2)C1 257341058 ZIRHCNNUKMHCRP-SFHVURJKSA-N 358.446 0.517 0 40 FCAB Cc1nc(C)c(CCC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c(O)n1 330411469 LJZPMPNXNJMCAG-TZMCWYRMSA-N 370.475 0.566 0 40 FCAB CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)CC1 330538630 YBYJHIPEFXAVAV-AWEZNQCLSA-N 360.476 0.850 0 40 FCAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2nnn(C)n2)c(F)c1F 408626943 JPAXZFKISABUHB-UHFFFAOYSA-N 364.284 0.902 0 40 FCAB CCN(CC)C[C@@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O 514289707 YYVLHNCEVBMURF-IXDOHACOSA-N 356.488 0.650 0 40 FCAB biogenic,in-vitro Cc1noc(CC(=O)N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)n1 585101032 XEJJCZZWFVKNSF-KRWDZBQOSA-N 356.386 0.756 0 40 FCAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)Cc2ccccn2)[C@H]2CCO[C@H]21 585109374 MFCSKUCXDZMFCO-AOIWGVFYSA-N 366.421 0.951 0 40 FCAB CCn1cc(NC(=O)Cn2ncc(Br)c2C)c(C(N)=O)n1 2778400 MVQZRJLEKWPJAW-UHFFFAOYSA-N 355.196 0.908 0 40 FCAB CCOC(=O)CNC(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4479793 FNFOTJVYVXZTBI-NSHDSACASA-N 365.386 0.671 0 40 FCAB COC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 14673936 BYZQNZWXHJAVND-UHFFFAOYSA-N 357.384 0.346 0 40 FCAB COc1ccc2nc(NC3=NCN(N4CCN(C)CC4)CN3)nc(C)c2c1 20634264 DHUPRZKNFCVGFQ-UHFFFAOYSA-N 370.461 0.697 0 40 FCAB Cn1c(=O)c2c(ncn2C[C@@H](O)COCc2ccccc2F)n(C)c1=O 23674292 VXTLSPJSMNUNOP-GFCCVEGCSA-N 362.361 0.151 0 40 FCAB COCCn1c(C(=O)NCCN2CCOCC2)nc2ccccc2c1=O 31811672 REJRCHIURAHLDA-UHFFFAOYSA-N 360.414 0.105 0 40 FCAB NC(=O)C1CCN(C(=O)CN2CC(=O)Oc3ccc(Cl)cc32)CC1 31845211 CCXBRNAMONIUGI-UHFFFAOYSA-N 351.790 0.789 0 40 FCAB Cn1c(=O)c2ccccc2n2c(SCCCS(N)(=O)=O)nnc12 57746477 XWYYKHIVYRLZQM-UHFFFAOYSA-N 353.429 0.352 0 40 FCAB Cc1csc2nc(CN3CCC[C@@H](CNS(C)(=O)=O)C3)cc(=O)n12 58066329 FDTWIZXEMCNTMM-LBPRGKRZSA-N 370.500 0.826 0 40 FCAB C[C@H](CS(C)(=O)=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 76094085 NPMUYWWYXYZSMP-HUUCEWRRSA-N 373.519 0.212 0 40 FCAB NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3cn[nH]c3)C2)cc1 89793309 WANDKOBZVMHMEL-NSHDSACASA-N 370.456 0.625 0 40 FCAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(S(=O)(=O)C1CC1)C2 96056984 NRYJHFOEXCDOLL-GOEBONIOSA-N 360.476 0.455 0 40 FCAB NC(=O)c1cnc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)s1 102397475 LLJLWMRECVZYDL-IUCAKERBSA-N 350.400 0.746 0 40 FCAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCC(=O)Nc1ccc(O)cc1 102771657 YVGKMURHPSKYLI-BHWMQLMCSA-N 369.377 0.254 0 40 FCAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccncc3)[C@H]4C2=O)no1 106021618 VLMHIIXZOAOWBE-FVQSIRDASA-N 366.377 0.981 0 40 FCAB CN(C)S(=O)(=O)c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1 223045245 TXCFGMBXWFFGCM-UHFFFAOYSA-N 367.471 0.593 0 40 FCAB COC(=O)COc1ccc(S(=O)(=O)NCC(=O)NC(C)C)cc1C 226687440 LZMZMVVEKXVDGQ-UHFFFAOYSA-N 358.416 0.350 0 40 FCAB CN(C(=O)c1cccnn1)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257222566 DTTWPKWDBJBSSY-MDZLAQPJSA-N 354.374 0.035 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2nccn2C)CCN1CCc1ccccc1 257297704 RINVLPOUCCWUEW-INIZCTEOSA-N 355.442 0.535 0 40 FCAB CC(C)NC(=O)Cc1cn2c(n1)[C@@H](C)N(c1ccc3nncn3n1)CC2 306142081 WOWDPDLFPSTYDG-GFCCVEGCSA-N 354.418 0.969 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCC2CCN([C@@H]3CCOC3)CC2)CC1 575617084 XVWLPGZTVRTAKP-MRXNPFEDSA-N 373.519 0.275 0 40 FCAB COc1cc(OC)c(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)cc1Cl 580624404 YZDLTHOUSWRXQJ-LLVKDONJSA-N 365.791 0.831 0 40 FCAB CN1C[C@@]2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O 585104375 LGQWLYSXWDRPPO-KRWDZBQOSA-N 352.456 0.771 0 40 FCAB CC(C)NC(=O)c1nnc2n1CCN1CCN(C(=O)C3(F)CCC3)C[C@@H]21 585109959 VNIRAJMNKBEKOJ-LBPRGKRZSA-N 364.425 0.507 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)c3c(C)noc3C)C[C@H]21 585110188 VNQTUYKVMJNWIA-NEPJUHHUSA-N 359.386 0.289 0 40 FCAB CN(C)C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O 604381803 PDWDFEMUDYFVLB-GRLWTPEZSA-N 352.406 0.679 0 40 FCAB biogenic,in-vitro CC(=O)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)CC(C)(C)CC(=O)O)C2 604382130 GPNGXVVICGYJAP-CQSZACIVSA-N 367.446 0.021 0 40 FCAB biogenic,in-vitro CC(C)O[C@H]1CCCN(C(=O)c2nc(N3CCOCC3)nc(=N)[nH]2)C1 652749647 UASMOHBRNCNTBV-LBPRGKRZSA-N 350.423 0.150 0 40 FCAB COCCN1C[C@@H]2CN(C(=O)COc3cc(F)ccc3F)C[C@@H]2C1=O 1565555206 ALBLYTJDMAEDAZ-YPMHNXCESA-N 354.353 0.907 0 40 FCAB Cc1nn(C)c(C)c1CN1CCO[C@]2(COCC(=O)N(C(C)C)C2)C1 2037984379 ZAIZXANUFBWSDS-GOSISDBHSA-N 350.463 0.875 0 40 FCAB O=C(O[C@H]1CCOC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 5464552 MPGOOUUXOZLAKR-ZDUSSCGKSA-N 355.368 0.180 0 40 FCAB CCOC(=O)C1=C(CN2C[C@H](C(=O)NC)Oc3ccccc32)NC(=O)NC1 7254626 OLDHBHSFZNDBNL-OAHLLOKOSA-N 374.397 0.130 0 40 FCAB CC(C)Cn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1N1CCOCC1 8249978 CAAVJUCXJDVKIQ-JTQLQIEISA-N 356.452 0.446 0 40 FCAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 8637657 WURAIOAVPMNVLZ-AWEZNQCLSA-N 369.439 0.997 0 40 FCAB COc1ccc(CCNC(=O)CSc2nc(N)[nH]c(=O)n2)cc1OC 8893632 LYMUAMGCPDCKLK-UHFFFAOYSA-N 365.415 0.215 0 40 FCAB C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc2c(c1)OCO2 14200983 NJMGSGKVULDVJC-SNVBAGLBSA-N 355.354 0.736 0 40 FCAB Oc1ccccc1N1CCN(C(=S)NCCN2CCOCC2)CC1 21671316 QXJBDJNLXYUPCQ-UHFFFAOYSA-N 350.488 0.721 0 40 FCAB O=C(NCCN1CCOCC1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 22664594 XSRQAWBCSMNZPJ-CQSZACIVSA-N 350.394 0.562 0 40 FCAB CCCCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 23074814 SYUIUKKGQZAREO-UHFFFAOYSA-N 372.425 0.926 0 40 FCAB COC(=O)C(C)(C)NC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 23176777 CSLMPTVSXJPFGQ-UHFFFAOYSA-N 356.444 0.992 0 40 FCAB Cn1cc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cn1 25310459 KETHNBHTJRXXNZ-UHFFFAOYSA-N 350.400 0.693 0 40 FCAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1nc2ccccc2c(=O)[nH]1 37406111 OWPJDBFEGNFLSM-JTQLQIEISA-N 354.418 0.949 0 40 FCAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCCO)cc1C 39986162 VTWDARRNNFKJTA-UHFFFAOYSA-N 358.460 0.903 0 40 FCAB O=C(NCCCn1ccnc1)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2 42380786 ALYBKTNRYPQUMD-ZDUSSCGKSA-N 370.413 0.872 0 40 FCAB C[C@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(N)=O 53327681 PHCBKWWIZUIEQH-ZETCQYMHSA-N 366.468 0.697 0 40 FCAB CC(=O)NCCC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 58266238 AXBMRRBYEMFBJH-UHFFFAOYSA-N 364.421 0.507 0 40 FCAB O=C(CN1CCOCC1)N1CCC[C@@H](c2nccnc2-n2ccnc2)C1 72350675 WYGTVMSGASIIFO-OAHLLOKOSA-N 356.430 0.701 0 40 FCAB COCCn1nnn(-c2ccc(NC(=O)c3snnc3C)cc2)c1=O 75163212 FGGJXLAQZUETAA-UHFFFAOYSA-N 361.387 0.488 0 40 FCAB Cn1cc(S(=O)(=O)N2CC(S(=O)(=O)Nc3ccccc3)C2)cn1 96005064 QIGUFFYLZPPERF-UHFFFAOYSA-N 356.429 0.235 0 40 FCAB CCCCS(=O)(=O)N1CCC2(CC1)NC(=O)C[C@@H]2c1cnn(C)c1 96069755 GQGIZOOWKOLSCU-CQSZACIVSA-N 354.476 0.988 0 40 FCAB Cc1cnc2n1CCN(S(C)(=O)=O)C21CCN(C(=O)NC(C)C)CC1 96144929 YOYCYJGSGWEPAZ-UHFFFAOYSA-N 369.491 0.876 0 40 FCAB CCOc1ccc2nnc(CNC(=O)[C@@H](CCSC)NC(C)=O)n2n1 238848967 IZWVLUZKAIKAHK-LLVKDONJSA-N 366.447 0.397 0 40 FCAB Cc1ccc(F)c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 332268080 ICKIJFVVTZPRFA-UHFFFAOYSA-N 361.373 0.568 0 40 FCAB O=C(c1cccs1)N1CCO[C@@H](CS(=O)(=O)N2CCOCC2)C1 521397039 QIGTWXAVJCLNJN-GFCCVEGCSA-N 360.457 0.251 0 40 FCAB CN1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)[C@H](CN)C1 571646556 SVPNMHKVHLVYCT-LLVKDONJSA-N 364.874 0.730 0 40 FCAB Cc1nc2cc(NC(=O)N3CCOC[C@@H]3CNS(C)(=O)=O)ccc2o1 585123577 FLLROUVTAOXZGV-LBPRGKRZSA-N 368.415 0.918 0 40 FCAB C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCN2C(=O)CNC2=O)C1 603528326 UUJMBBFETLZTIR-DZGCQCFKSA-N 359.430 0.673 0 40 FCAB COc1ccc(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)cc1OC(F)F 648241178 YQEWFGHFZLZBHZ-LBPRGKRZSA-N 364.370 0.947 0 40 FCAB CC(C)n1cnc(=NC(=O)C(=O)NCc2ccccc2-c2cnn(C)c2)[nH]1 651638627 FZOGEOPOJXQHLN-UHFFFAOYSA-N 367.413 0.936 0 40 FCAB CCC/C=C/C=C/C1=C(CO)[C@@H]2O[C@H](C(C)(C)O)C[C@]2(O)[C@@H](O)[C@@H]1O 1772591157 JNZPJFJLCQONRT-PDIKINDHSA-N 354.443 0.583 0 40 FCAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)[C@H]5CCCCO5)C[C@H]4C3)nn12 1888850296 AQUVOUQPXSGXGY-RBSFLKMASA-N 356.430 0.896 0 40 FCAB Cc1c(CN[C@@H]2CCc3onc(CNS(C)(=O)=O)c3C2)cnn1C 2055731767 TZQQIVNNWSRMII-GFCCVEGCSA-N 353.448 0.413 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nn2cnnc2)cc1 804441 CRQUHORTLCPXOF-CYBMUJFWSA-N 351.388 0.210 0 40 FCAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NC(=O)NC1CCCC1 3381182 CGVLGZXRJDCHKU-UHFFFAOYSA-N 372.381 0.777 0 40 FCAB CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc(C(C)(C)C)cc1 4305782 PVZNOMYOMQFDQC-BIVLZKPYSA-N 353.415 0.307 0 40 FCAB Cc1cccc(NC(=O)CNC(=O)COC(=O)C2=NNC(=O)CC2)c1C 4364436 FANRCHORKQSJPW-UHFFFAOYSA-N 360.370 0.167 0 40 FCAB COc1ccc(N2C[C@H](NC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1 4373599 VRVMKZFXPXFUSI-CYBMUJFWSA-N 360.414 0.707 0 40 FCAB COc1ccc(Br)cc1CNCCNC(=O)c1nonc1N 6758942 ZYLOHSWMNQSNDQ-UHFFFAOYSA-N 370.207 0.943 0 40 FCAB CCCn1c(N)c(C(=O)CN2CCC[C@@H]2c2cccn2C)c(=O)n(C)c1=O 7039354 WPFBGMIMZWNLIR-CQSZACIVSA-N 373.457 0.898 0 40 FCAB Cn1c(SCC(N)=O)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 7425908 ZZBSYNUVWUPJGG-UHFFFAOYSA-N 359.411 0.059 0 40 FCAB O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc2c(c1)OCO2 8389751 LXQSXCCMRZJDSZ-UHFFFAOYSA-N 369.381 0.284 0 40 FCAB O=C(CN1NS(=O)(=O)c2ccccc2C1=O)NCCc1ccccc1 8718548 NCQATQUOMJVTMC-UHFFFAOYSA-N 359.407 0.695 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCCO4)cnc21 8734156 GQZANNNWTPYWDQ-UHFFFAOYSA-N 355.354 0.218 0 40 FCAB Cn1c(CN2CCC(C(=O)NCc3ccccc3)CC2)cc(=O)n(C)c1=O 10905599 IUGMXBMDKVKCOL-UHFFFAOYSA-N 370.453 0.612 0 40 FCAB Cc1cc(O)n2nc([C@@H]3CCN(S(=O)(=O)N4CCCC4)C3)cc2n1 13225728 YKCSHLNXZUENBH-GFCCVEGCSA-N 351.432 0.873 0 40 FCAB COCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CC1)CC2 19592829 IPFGPDDIMRDFSI-HNNXBMFYSA-N 374.441 0.765 0 40 FCAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1ccc(F)c(F)c1 23299741 PCAGHYCXSQIXTG-UHFFFAOYSA-N 352.385 0.800 0 40 FCAB Cn1cc(NC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cn1 25306438 LXQHGNZSWFTBRR-ZDUSSCGKSA-N 359.411 0.972 0 40 FCAB C[C@@H]1C[C@@H](OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)C(=O)O1 32736547 CWIYFHYROUXBLR-MWLCHTKSSA-N 352.368 0.362 0 40 FCAB CS(=O)(=O)N[C@@H]1COCCC12CCN(C(=O)c1ccccn1)CC2 96218699 ZEGRFHTXGLMVCI-CQSZACIVSA-N 353.444 0.642 0 40 FCAB O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 96225646 OVEQUQFZMXMVOW-UGSOOPFHSA-N 358.398 0.738 0 40 FCAB COC(=O)C1=C(C(=O)OC)[C@H]2C=C[C@H]1[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]21 102911966 PZQQPXJMBSEPSV-CVYVPXSGSA-N 364.350 0.554 0 40 FCAB Cn1cc(S(=O)(=O)N2CCCN(C(=O)CC(F)(F)F)CC2)cn1 238827151 FAJDZUXTWFXJBF-UHFFFAOYSA-N 354.354 0.596 0 40 FCAB COC1(CNS(=O)(=O)c2ccc(OCC(N)=O)cc2)CCSCC1 252539134 NTRSFXKTNRYRQS-UHFFFAOYSA-N 374.484 0.741 0 40 FCAB Cn1c(=O)n(C)c2cc(NC(=O)CN3CC[C@H](O)[C@]4(CCCO4)C3)ccc21 257212588 CECGUYFYZUBDER-LPHOPBHVSA-N 374.441 0.431 0 40 FCAB CC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3ccc(C)s3)[C@H]2O)CC1 257288378 PTZIFXNYTXNHMN-IIAWOOMASA-N 351.472 0.842 0 40 FCAB O=c1c(=O)n2c(nn1CC1CCC1)[C@@H]1CN(Cc3ccccn3)C[C@H]1C2 306139409 SWOHFBWQSCKRHO-GOEBONIOSA-N 353.426 0.829 0 40 FCAB CCOCC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1ccnn1C 306139886 UDLRKKQRIMJXJE-CYBMUJFWSA-N 350.419 0.194 0 40 FCAB COc1cc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)ncn1 514225060 KYBQWGDBIDSMPO-UHFFFAOYSA-N 367.409 0.903 0 40 FCAB CC1CCN(C[C@@H]2OC[C@H](NS(=O)(=O)c3cccc(F)c3)[C@H]2O)CC1 514289064 MZGOIUNRBAUACL-YESZJQIVSA-N 372.462 0.964 0 40 FCAB biogenic,in-vitro COc1ccc(F)cc1S(=O)(=O)N1CC(CN2C(=O)COC2=O)C1 575617135 SLXFWNLYVNTXHE-UHFFFAOYSA-N 358.347 0.434 0 40 FCAB CN(C)C/C=C/C(=O)N1C[C@H](CC(N)=O)[C@H](OC(=O)c2ccccc2)C1 643587117 VVLKMGSKKWBBIT-VKFONMJVSA-N 359.426 0.664 0 40 FCAB Cc1ncnc(C(=O)NC[C@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)c1C 1565549233 SHXNIZJXISUREP-ZDUSSCGKSA-N 368.401 0.414 0 40 FCAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O 1100530 LNRLJRLUKDNXKR-JTQLQIEISA-N 373.390 0.957 0 40 FCAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)N[C@H]1CCS(=O)(=O)C1 4836412 INFCTUKHHHJKBS-KMOQFTEPSA-N 367.379 0.275 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccnn2C2CCCC2)n(C)c1=O 7064805 ADAORKGPQCEIEG-UHFFFAOYSA-N 371.401 0.384 0 40 FCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 9425850 SMCSYGSHRDGSMS-GPINWOSQSA-N 371.345 0.952 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](C)NC(N)=O)CC2)cc1 10566663 MAALPOXTSQCLIW-GFCCVEGCSA-N 368.459 0.321 0 40 FCAB CCn1cc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2CCO)c(C)n1 12390551 HSHRFDRNNBBIGY-RDJZCZTQSA-N 365.455 0.853 0 40 FCAB COCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16021901 VTKFJXWTHNXJPM-CUYVQJCZSA-N 355.394 0.560 0 40 FCAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(=O)n(C)c(=O)n1C 57399165 DFPVHRYULDWKJV-ZDUSSCGKSA-N 354.414 0.858 0 40 FCAB CCCn1c(=O)c2sccc2n(CC(=O)NC[C@H]2CCCO2)c1=O 57478835 KWBMGGKDARRHON-LLVKDONJSA-N 351.428 0.930 0 40 FCAB CCS(=O)(=O)N(C)CC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 75104142 NXDHGOFNRIOVEC-UHFFFAOYSA-N 358.445 0.225 0 40 FCAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N1CCN(C)CC1 95410838 MYGXJABOKANJCM-UHFFFAOYSA-N 368.865 0.993 0 40 FCAB O=C(c1cc(Cl)c[nH]1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 95998860 PIYCHRJHVYROOF-GFCCVEGCSA-N 361.851 0.935 0 40 FCAB Cn1cc(CN2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)cn1 96056221 KKPOAFMIPWQWTB-YQQAZPJKSA-N 356.430 0.477 0 40 FCAB O=C(O)[C@@H]1CN(c2ncccn2)C[C@H]2CN(Cc3ccoc3)CCN2C1 96092130 HUBPJPGTCZAOFD-JKSUJKDBSA-N 357.414 0.777 0 40 FCAB CCOC(=O)Cc1csc(SCc2cc(=O)n3nc(N)[nH]c3n2)n1 103714062 DYMSUFACLZXTPY-UHFFFAOYSA-N 366.428 0.854 0 40 FCAB COc1ccc(NC(=O)COCC(=O)NCCCN2CCOCC2)cc1 199409863 ZKYRGMZPKHAKHV-UHFFFAOYSA-N 365.430 0.489 0 40 FCAB O=C(c1cnn2cccnc12)N1CCN(C2CCS(=O)(=O)CC2)CC1 253473887 ZLTAIDYXEPYBLQ-UHFFFAOYSA-N 363.443 0.064 0 40 FCAB Cc1ccnn1CCC(=O)N1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1 257226857 FMLRKDSOXLJYJD-HZPDHXFCSA-N 359.382 0.931 0 40 FCAB Cc1occc1C(=O)N1Cc2cncn2[C@H](CCNS(C)(=O)=O)C1 306125152 CICCNHOQCQDKMM-GFCCVEGCSA-N 352.416 0.921 0 40 FCAB COC(=O)CN1C(=O)N/C(=C/c2c(OC)cc(OC)cc2OC)C1=O 408548964 OJLQZILDLDENJX-YRNVUSSQSA-N 350.327 0.778 0 40 FCAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc2nsnc12 548210459 NVSCBFABOBUSGP-PSASIEDQSA-N 357.413 0.849 0 40 FCAB CN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 575425810 XCXAEKPSXYXINV-WDEREUQCSA-N 374.267 0.772 0 40 FCAB CCn1cc(C(=O)NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cn1 585271021 FLRBKKRSMGUJKD-UHFFFAOYSA-N 350.356 0.353 0 40 FCAB CCN1CCO[C@@H](CNC(=O)C2CCC(O)CC2)[C@@H]1c1cnn(C)c1 618145512 QBXKTAFNGJMIGI-KMZOKZLKSA-N 350.463 0.849 0 40 FCAB CC(C)N(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)O1 1565548316 BKBDQTDRSKGPMC-YOEHRIQHSA-N 351.451 0.546 0 40 FCAB CCc1cnc(N2CCO[C@@H]3CN(C(=O)C4CC(O)C4)CC[C@@H]3C2)nc1 1565553749 DJVNGPLNTVNTHG-RDHHWEPZSA-N 360.458 0.864 0 40 FCAB CCOCC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(OC)n(C)n2)C1 1615057747 IMCNPPHPFVOIJB-UKRRQHHQSA-N 364.446 0.918 0 40 FCAB O=C(CN1CCCC1)N1CCO[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985125 YHRFTYSTSPKZHZ-HXUWFJFHSA-N 373.453 0.743 0 40 FCAB C[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(N)=O 4186559 WKHRXLSMDHFXPH-ZJUUUORDSA-N 359.423 0.602 0 40 FCAB CC[C@@H](C)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1 4569030 NZLBBWKRFWAHOK-UPPWKLIJSA-N 353.415 0.523 0 40 FCAB O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NN1CCOCC1 5201862 PJLXSSJDXAOAPY-GFCCVEGCSA-N 362.386 0.110 0 40 FCAB COCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 5704028 GNOSBZDSFJOVPW-UHFFFAOYSA-N 359.473 0.721 0 40 FCAB CCn1c(=O)n(CC(=O)NCCOC)c(=O)c2c3c(sc21)CCCC3 6759472 ZHVWQBPZIRPEQC-UHFFFAOYSA-N 365.455 0.886 0 40 FCAB CCN(CC(=O)NC(C)(C)C)CC(=O)N1CCN(c2ccccn2)CC1 7683233 QLYXNMVWUMPNPO-UHFFFAOYSA-N 361.490 0.967 0 40 FCAB COC(=O)C1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 8132880 DFVUTQPQSWRYME-UHFFFAOYSA-N 355.416 0.158 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC3)c2)CC1 9336467 YVWBMWQPMSIVJR-UHFFFAOYSA-N 351.428 0.385 0 40 FCAB CC(C)CNS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 11904833 PSBUQAOGYDTDTK-NSHDSACASA-N 360.457 0.933 0 40 FCAB COc1ccc([C@@H]2C[C@H](C(=O)NC(C)C)N(C)S(=O)(=O)N2)cc1OC 12129925 YIFYJGCXBVKUSI-QWHCGFSZSA-N 371.459 0.808 0 40 FCAB CCOC(=O)[C@@H](N)CS[C@@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 18116117 VMPLTHDIFQEJFQ-NWDGAFQWSA-N 366.395 0.640 0 40 FCAB CC1CCC(CNC(=O)CN2CCNC(=O)C2)(N2CCCCC2)CC1 19660362 WOFHQRUTEADMLA-UHFFFAOYSA-N 350.507 0.969 0 40 FCAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 44840302 JVXCLSSJRVIGQG-ZDUSSCGKSA-N 369.443 0.930 0 40 FCAB CCNC(=O)COc1cccc(CNC(=O)NCCC(=O)N(C)C)c1 58282549 WDIGUQNASZFUPZ-UHFFFAOYSA-N 350.419 0.479 0 40 FCAB NS(=O)(=O)N1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1 58331291 VUCAOEWJCIQHQI-UHFFFAOYSA-N 355.435 0.985 0 40 FCAB C[C@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccc2c(c1)OCCO2 71405382 DUABWWAVPDEFSK-ZETCQYMHSA-N 350.356 0.761 0 40 FCAB C[C@H]1CN(S(=O)(=O)CCNC(=O)C2SCCS2)C[C@H](C)O1 95445128 DUSPSWISURQMLM-UWVGGRQHSA-N 354.519 0.348 0 40 FCAB O=C(C1CCOCC1)N1CCCn2c(nc(Cn3ccnc3)cc2=O)C1 96059611 GVGYRJSVZWMBRT-UHFFFAOYSA-N 357.414 0.647 0 40 FCAB Cc1cccc(CN2CCO[C@H]3CN(S(C)(=O)=O)CC[C@H]3C2=O)n1 96209480 BBXRGJJXLJTLEO-CABCVRRESA-N 353.444 0.399 0 40 FCAB COCCNC(=O)C(=O)N[C@H]1C(=O)Nc2ccc(Br)cc21 101451921 PTWMGNIXMSFLPX-SNVBAGLBSA-N 356.176 0.321 0 40 FCAB CSCC[C@H](NC(C)=O)C(=O)NCc1nc(-c2ccnc(O)c2)no1 238822374 CYIOQEBFYIYEND-NSHDSACASA-N 365.415 0.711 0 40 FCAB O=C1CCC(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)=NN1 245130853 VASUORWDZPIYBK-UHFFFAOYSA-N 355.383 0.735 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)Cn2nc(C)nc2C)CCN1Cc1ccccc1 257265364 LYJFJVYOPYNUSF-QGZVFWFLSA-N 370.457 0.354 0 40 FCAB CN(C)Cc1cncc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 257303183 SGDAVGGGHUXHSF-HNNXBMFYSA-N 355.464 0.252 0 40 FCAB COC(=O)N1Cc2nnc(C)n2C2(CCN(C(=O)c3ccnn3C)CC2)C1 306124396 BONVMNZKPLEDJP-UHFFFAOYSA-N 373.417 0.534 0 40 FCAB CS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)C1CC(F)(F)C1 306133382 MJYYYNMXBSDECB-NSHDSACASA-N 352.403 0.589 0 40 FCAB COCCNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704295 LKJUVZWMLNYRQE-NSHDSACASA-N 358.416 0.375 0 40 FCAB O=S(=O)(NCc1nc(-c2cc(C3CC3)on2)no1)N1CCOCC1 575617806 XBRNZFFYVHKWIR-UHFFFAOYSA-N 355.376 0.269 0 40 FCAB O=C1CC[C@H](C(=O)N2CCc3ncc(-c4cnn(C(F)F)c4)n3CC2)N1 585111140 GHADXTDESZYWMB-LLVKDONJSA-N 364.356 0.805 0 40 FCAB CCCN(CC(=O)NCc1ccccc1OC)[C@@H]1COC[C@@H](O)[C@H]1O 643586069 VZVQZCQXNHGGRQ-RKVPGOIHSA-N 352.431 0.144 0 40 FCAB CN(C1CC1)S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 682701939 YYNPPJGTFFAJAC-KGLIPLIRSA-N 367.427 0.342 0 40 FCAB COc1cc(C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)on1 1614937322 IAZQCUBGPFMCAK-GOSISDBHSA-N 371.397 0.642 0 40 FCAB Cc1cc(N2CCN(c3nccn(C)c3=O)CC2)nc(N2CCCC2)n1 1889078005 GAGVLEBRHQETBT-UHFFFAOYSA-N 355.446 0.806 0 40 FCAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)NC[C@H]1CCCO1 3437563 VTHKTBPJCYUMAW-CZUORRHYSA-N 370.409 0.926 0 40 FCAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)cc1 6881619 XVLCZEVGUSWVOX-UHFFFAOYSA-N 366.337 0.557 0 40 FCAB C[C@H](Sc1n[nH]c(=O)n1C[C@H]1CCCO1)C(=O)NC(=O)NC(C)(C)C 7301429 HKGWZDHASIUZEF-VHSXEESVSA-N 371.463 0.855 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 13638736 JNFWIBNZMZBDTI-UHFFFAOYSA-N 355.372 0.584 0 40 FCAB COC(=O)c1c(NC(=O)CSc2nnnn2C)sc(C(N)=O)c1C 13881090 BPKVWRZTMZAUBA-UHFFFAOYSA-N 370.416 0.196 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC[C@H]1CCCO1 16291305 FFUGRBCIFABYHL-CYBMUJFWSA-N 356.444 0.919 0 40 FCAB COc1ccc(NC(=O)CN2CCO[C@@H](C)C2)cc1S(=O)(=O)N(C)C 24528793 IQQRQEQBOVBASX-LBPRGKRZSA-N 371.459 0.605 0 40 FCAB COc1ccccc1CCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 32796513 JSOBTVPKBHKUBQ-UHFFFAOYSA-N 368.393 0.613 0 40 FCAB Cc1cc(C)cc(OC[C@@H](O)CN2CCN(S(=O)(=O)N(C)C)CC2)c1 40071819 QGBKWUYCJWJWQI-INIZCTEOSA-N 371.503 0.467 0 40 FCAB CN(C)C(=O)Cn1cc(C(=O)NCc2ccc(OC(F)F)cc2)nn1 56967878 RKLIKEQQTQQUPR-UHFFFAOYSA-N 353.329 0.898 0 40 FCAB Cc1cc(NC(=O)CN2CCN(C(=O)c3c(O)cccc3O)CC2)no1 79076381 GTYDSYLJXLHCBC-UHFFFAOYSA-N 360.370 0.791 0 40 FCAB O=C1CCC(=O)[C@@]23C4C5[C@H]6[C@H]5[C@H]2n2c(=O)n(-c5ccccc5)c(=O)n2[C@H]6[C@]143 104283685 XNVICNIWYLYIIP-ZOHDJHSCSA-N 361.357 0.321 0 40 FCAB N=C(O)[C@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 208820459 BFTIPPVTTJTHLM-NMKXLXIOSA-N 371.507 0.861 0 40 FCAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2cc3ccccc3oc2=O)C1 225677939 JMCSFFQPBHITSC-UHFFFAOYSA-N 373.390 0.825 0 40 FCAB CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1CC[C@@H](O)[C@@H]1O 257277161 NWSIKMSUQWVHPD-YRGRVCCFSA-N 351.794 0.336 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)N1CCOC[C@H](Cc2ccncn2)C1 257334315 YFKDNTOKULKVGV-CYBMUJFWSA-N 351.432 0.398 0 40 FCAB COc1ccc(CC(=O)N2CCN(C)C[C@](O)(Cn3ccnc3C)C2)cc1 257343235 ZSBAICIMPMRVRY-FQEVSTJZSA-N 372.469 0.948 0 40 FCAB CCOC(=O)Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 408586490 AKCQJBJSOWCCGT-UHFFFAOYSA-N 357.432 0.866 0 40 FCAB COc1ccnc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)c1 574953868 DTLBKKYPCPMXTL-YOEHRIQHSA-N 357.414 0.968 0 40 FCAB O=C(Nc1ccc(Cn2cccn2)cc1)N1C[C@@H](O)[C@H](n2ccnn2)C1 626330356 XTEFDNHCGQYSNA-HZPDHXFCSA-N 353.386 0.973 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccncc2Br)C1 644040677 QMMKYXLNZSFNDE-CQSZACIVSA-N 356.220 0.947 0 40 FCAB Cn1c(=O)nc(O)c2cc(C(=O)NCc3cnn4c3CCCC4)cnc21 1652632560 ZVTFKYNQKUOCKE-UHFFFAOYSA-N 354.370 0.497 0 40 FCAB Cn1cnc2c(NCC3CCN(S(=O)(=O)C4CC4)CC3)ncnc21 1776001596 AMHIIBLBWKPKCW-UHFFFAOYSA-N 350.448 0.979 0 40 FCAB c1cc(N2CCOCC2)nc(N2CCN(c3ncnc4c3CCC4)CC2)n1 1889104432 WJBMDGVOCHXCTA-UHFFFAOYSA-N 367.457 0.919 0 40 FCAB COc1cnc(O[C@@H]2CCN(CC(=O)N3C[C@H](C)O[C@H](C)C3)C2)nc1 2086954073 YQAXITKKBJTZOL-HZSPNIEDSA-N 350.419 0.574 0 40 FCAB COc1cc2ncnc(N3CC(C(=O)N4CCOCC4)C3)c2cc1OC 2298218152 QSSFGKKNFIYCNE-UHFFFAOYSA-N 358.398 0.942 0 40 FCAB CC(C)[C@H](N)C(=O)N[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C 1689687 OJKHWKUUKANMMH-UONOGXRCSA-N 370.475 0.397 0 40 FCAB CC[C@H](C)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1 4043066 NZLBBWKRFWAHOK-MLSDZWDBSA-N 353.415 0.523 0 40 FCAB biogenic O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccc2c(c1)OCO2 8328970 MVWPFCRKXKWDJI-UHFFFAOYSA-N 368.143 0.667 0 40 FCAB COCCCN(C(=O)[C@H]1C[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 10214716 KBNUOFQHSZKOBG-RYUDHWBXSA-N 352.435 0.800 0 40 FCAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCCN(C(=O)[C@@H]3CCCN3)C1)O2 12122842 WMITVSGFCNIWTR-HNAYVOBHSA-N 359.426 0.931 0 40 FCAB COc1ccccc1[C@H](C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 12558946 MUASAEILULFIRB-NSHDSACASA-N 371.397 0.320 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2nc3nccc(C)n3n2)c2ccccc2O1 12852632 GIHMLEKZCCSALG-ZDUSSCGKSA-N 352.354 0.587 0 40 FCAB NC(=O)Cn1c2ccccc2c2nnc(SCCN3CCOCC3)nc21 19796804 PDSFODIHUQWYDD-UHFFFAOYSA-N 372.454 0.889 0 40 FCAB C/C(NCCN1CCOCC1)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 20292427 BSSMLAMHCIEADU-SQFISAMPSA-N 364.446 0.593 0 40 FCAB COC(=O)c1ccc(CS(=O)(=O)NCCCN2CCN(C)CC2)cc1 44946145 LLQRWYSRRPJPQE-UHFFFAOYSA-N 369.487 0.530 0 40 FCAB Cc1ccc(/C=C/S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)cc1 52115937 JFNKNTDMTSQSBR-WUXMJOGZSA-N 374.484 0.547 0 40 FCAB O=C([C@H]1CCCN(Cc2nnnn2-c2ccccc2)C1)N1CCOCC1 73350699 FVKBPYIETCRQRP-HNNXBMFYSA-N 356.430 0.733 0 40 FCAB CNC(=O)[C@H]1C[C@@H]2CN(Cc3cccc(C)c3)C[C@@H]2N1S(C)(=O)=O 96182892 IRQTYRVRVVPACB-OAGGEKHMSA-N 351.472 0.575 0 40 FCAB COc1cc([C@@H]2N=c3ccccc3=C(O)N2NS(C)(=O)=O)ccc1O 104207189 OIDVAFOPAUSZFI-OAHLLOKOSA-N 363.395 0.123 0 40 FCAB COC(=O)[C@H]1C[C@H](OC)CN1S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 225634695 JAUIFQMHWIIKPC-JOYOIKCWSA-N 370.383 0.083 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)Cc3ccccc3C)C2)CN1CC1CC1 248164995 RBEGBZWXJVTEBY-SFHVURJKSA-N 371.481 0.975 0 40 FCAB COCCn1nnc2c1CCN(C(=O)c1ccc(Cn3ccnn3)cc1)C2 529424419 ATOPTQDKQXAMGS-UHFFFAOYSA-N 367.413 0.763 0 40 FCAB C[C@@H]1CN(C(=O)CN2CCN(c3ccnc(N(C)C)n3)CC2)C[C@@H](C)O1 533071388 ADKABRAXLJUOPS-HUUCEWRRSA-N 362.478 0.300 0 40 FCAB O=C(N[C@H](Cc1ccncc1)C(=O)O)C1CCN(c2cnccn2)CC1 655602491 ZFVUSZXUNMFAFY-OAHLLOKOSA-N 355.398 0.900 0 40 FCAB C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCS(=O)(=O)CCO2)C1=O 1121293073 XOUJXPHIHIGYQP-LBPRGKRZSA-N 368.411 0.379 0 40 FCAB CC(C)Oc1ccc(C(=O)N2CCN(c3cc(=O)n(C)c(O)n3)CC2)cn1 1565522228 LBAGNSMTTZBONM-UHFFFAOYSA-N 373.413 0.631 0 40 FCAB COC1(CC(=O)N2CCC3(CC2)COCCN(S(C)(=O)=O)C3)CCC1 1565554033 PLTJZQDGQFHRML-UHFFFAOYSA-N 374.503 0.846 0 40 FCAB CN1CC[C@H](C(=O)N2C[C@@H]3CN(CC(=O)NC4CCCC4)C[C@]3(C)C2)C1 1616033364 NZFBIRKNCJUIOE-TWOQFEAHSA-N 362.518 0.777 0 40 FCAB Cc1cc2ccc(C(=O)NC[C@]3(c4nccn4C)NC(=O)NC3=O)cn2c1 1616034949 HQKOJZRLFRUKHD-GOSISDBHSA-N 366.381 0.446 0 40 FCAB C[C@]12CCC(=O)N1[C@H](C(=O)OCn1nnc3ccccc3c1=O)CS2 3364623 RCJLBWOLCLQXSU-LRDDRELGSA-N 360.395 0.746 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(=O)n(C)n1 6538345 SJDJRTXWKJBVDV-UHFFFAOYSA-N 350.400 0.591 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)C1 20454629 VRKQATPATCXXAX-GFCCVEGCSA-N 355.416 0.842 0 40 FCAB CC(=O)c1c[nH]c(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 24030427 KEQFKZPGHKVNNO-UHFFFAOYSA-N 353.386 0.856 0 40 FCAB O=C(CN1CCN(C(=O)Cn2cnnn2)CC1)Nc1ccccc1Cl 36384480 UZBOSKJTCWWCHZ-UHFFFAOYSA-N 363.809 0.109 0 40 FCAB COc1ccc(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(OC)c1OC 39996823 RGZSHBZNFZPXHZ-LBPRGKRZSA-N 357.428 0.900 0 40 FCAB COCc1nnc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3)s1 40268272 LXQLPDFMDQUYNF-MRXNPFEDSA-N 373.394 0.890 0 40 FCAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 51135091 VUVGSRJMWORBDQ-ZDUSSCGKSA-N 366.443 0.118 0 40 FCAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@@H](C(N)=O)C1)C2=O 52894235 NXTIMQCMYDYLEN-VMBJYNEYSA-N 350.419 0.211 0 40 FCAB COCCN(CCN(C)C)C(=O)CNC(=O)c1ccc2c(c1)OCO2 79111439 VAKJVFFEUPIWGL-UHFFFAOYSA-N 351.403 0.182 0 40 FCAB CN(C)CCNC(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 96147332 GGNJDDHEOKOVAG-UHFFFAOYSA-N 363.443 0.298 0 40 FCAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(-n2cnnn2)cc1 102359598 GEKGWQIAVXSGPM-KUDNYVPYSA-N 364.365 0.408 0 40 FCAB O=C(NC1CCC1)[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccnc3)C[C@H]1O2 107263892 CJXAXJLEEQBCER-NWANDNLSSA-N 351.428 0.528 0 40 FCAB O=C(O)c1sc(C(=O)O)c2c1OCCOCCOCCOCCO2 196479209 SOQZVVZPRLATHO-UHFFFAOYSA-N 362.356 0.966 0 40 FCAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 225502563 ILIDNFLBCXHNFB-GFCCVEGCSA-N 358.402 0.320 0 40 FCAB O=S(=O)(NC[C@@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1)C1CC1 247340217 SBHMIANHFMOSGU-NSHDSACASA-N 356.423 0.683 0 40 FCAB O=S1(=O)CC[C@@H](COc2ncccn2)C12CN(CC1CCOCC1)C2 247343676 TTWSOTXQJBWING-HNNXBMFYSA-N 367.471 0.771 0 40 FCAB COc1ncccc1C(=O)N1CC2(CC[C@@H](CNS(C)(=O)=O)CO2)C1 247886042 RPZJWFAVTHOGHD-LBPRGKRZSA-N 369.443 0.261 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)CCc3ccccc3Cl)C2)CN1C 248022194 JUPJGDWMWXRVLA-HNNXBMFYSA-N 365.861 0.930 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cnc(C)nc2)CCN1CCc1ccccc1 257307325 SYEUVMNUPCERNG-SFHVURJKSA-N 367.453 0.900 0 40 FCAB CC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3cc(C)cs3)[C@H]2O)CC1 257322181 WEXLIHZNFROEAQ-IIAWOOMASA-N 351.472 0.842 0 40 FCAB COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)COc2ccccc2)[C@H]1O 514288745 BPMWGEYNDZQEQE-QSOKESPWSA-N 364.442 0.421 0 40 FCAB biogenic,in-vitro COC(=O)[C@H]1CC12CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)CC2 575414150 NYHQSCTWDHBSTO-CYBMUJFWSA-N 358.460 0.460 0 40 FCAB C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)n1nc2c(cc1=O)CCC2 575606008 CHADNQKLGNIRIH-BBRMVZONSA-N 374.441 0.143 0 40 FCAB CNc1cnc(C(=O)N[C@H]2CCC[C@H]2NC(=O)c2cnc(NC)cn2)cn1 626660505 GFMVJAIJCVKTOW-PHIMTYICSA-N 370.417 0.431 0 40 FCAB CS(=O)(=O)NC1CCN(C(=O)c2cc3cc[nH]c(=O)c3s2)CC1 1261498834 RRBIJUNORXGYCZ-UHFFFAOYSA-N 355.441 0.743 0 40 FCAB CN1C[C@]2(COCC1=O)CN(C(=O)c1cc[nH]n1)C[C@H]2N(C)CC1CC1 1565549648 XUZDFCHQUAYPQQ-CRAIPNDOSA-N 361.446 0.051 0 40 FCAB C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O 1575997 UIHDXSNRWRHJRT-RISCZKNCSA-N 360.370 0.837 0 40 FCAB N=C1Cc2ncnn2C(N2N=C(c3ccco3)C[C@]2(O)C(F)(F)F)=NN1 4501672 JZZNPBBMAKEWGI-LBPRGKRZSA-N 368.279 0.474 0 40 FCAB NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1 5715155 KRMNFEOPOVPHRF-UHFFFAOYSA-N 358.416 0.994 0 40 FCAB O=S(=O)(O)CCSc1nnc(SCCS(=O)(=O)O)s1 6013677 HNRTUVYAGIMKPE-UHFFFAOYSA-N 366.489 0.498 0 40 FCAB Cn1c(=O)c2c(ncn2CCCn2c(=O)[nH]c3ccccc32)n(C)c1=O 9668768 SLTBFIPAQKOZGT-UHFFFAOYSA-N 354.370 0.167 0 40 FCAB Cc1c([C@@H]2C[C@H](C(=O)NC3CCCCC3)N(C)S(=O)(=O)N2)cnn1C 12131033 JNUMJODABUDJHY-LSDHHAIUSA-N 369.491 0.757 0 40 FCAB O=C(NCCNS(=O)(=O)c1cccc2nsnc12)c1cccnc1 12408565 VALJVKFTLPOCCM-UHFFFAOYSA-N 363.424 0.795 0 40 FCAB CCc1nnc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)s1 12631980 RLARHNNBGOTFRP-MRVPVSSYSA-N 371.444 0.205 0 40 FCAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc2c(c1)OCO2 12654957 AKIVAEMHBBAVNN-ZXFNITATSA-N 364.350 0.801 0 40 FCAB biogenic CCOCCCNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC 13581052 AUHLBOJZRBVFPT-UHFFFAOYSA-N 362.423 0.998 0 40 FCAB O=C(NCCN1CCOCC1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 16848132 YWCVFSSCYYWENM-UHFFFAOYSA-N 360.389 0.493 0 40 FCAB Cn1nnnc1SC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 20096333 GHUCJZXLMHHSAD-UHFFFAOYSA-N 356.433 0.367 0 40 FCAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCCN(S(C)(=O)=O)CC1 24921611 XJJNDWWBYCQEBV-CQSZACIVSA-N 351.472 0.932 0 40 FCAB COc1ccc(OCCN2CCN([C@@H](C)C(=O)NC(N)=O)CC2)cc1 32512097 JAMVWPUWGISPOF-ZDUSSCGKSA-N 350.419 0.275 0 40 FCAB Cc1ccc(C)c(N2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CC2)c1 38488404 ACQSJVOCEJIREY-UHFFFAOYSA-N 356.426 0.880 0 40 FCAB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 57509043 WIJKTXONTZVLON-NVXWUHKLSA-N 365.499 0.843 0 40 FCAB Cc1nnc(CNC(=O)Cc2csc(NC(=O)c3ncccn3)n2)o1 61969171 ZOVICDWOAHJMOE-UHFFFAOYSA-N 359.371 0.736 0 40 FCAB Cc1nn(C)cc1CN1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1 72335574 APIHQADWSBXXQP-CHWSQXEVSA-N 372.473 0.984 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 96000442 YTXBRSZQZDSVHR-AWEZNQCLSA-N 373.500 0.650 0 40 FCAB Cc1oncc1C(=O)N1CC[C@@]2(C1)CN(c1cnn(C)c1)C(=O)CN2C 96050359 DLNLQFRHZKJXEK-QGZVFWFLSA-N 358.402 0.280 0 40 FCAB CS(=O)(=O)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 101660709 PFPICAYZFORAON-UHFFFAOYSA-N 351.428 0.782 0 40 FCAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCN2CCOCC2)c1 257267767 MIRSNCURABRUIQ-UHFFFAOYSA-N 371.441 0.570 0 40 FCAB CN1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCCO)cc3)C2)CC1 257285977 PJPQXOPPGRNTBL-FQEVSTJZSA-N 363.502 0.632 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)CCN(C)c2cccc(C)c2)CCN1C(C)=O 257317976 VLYTVSUIHCXWQS-QGZVFWFLSA-N 360.458 0.627 0 40 FCAB CC(=O)N1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@@H]1C(=O)N(C)C 257333951 YDVGXRXNCYGHKA-MRXNPFEDSA-N 371.441 0.643 0 40 FCAB O=C(c1ccoc1)N1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1 306125275 CLDIKDOQKMUMMG-UONOGXRCSA-N 356.382 0.668 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCCn2cc(-c3ccco3)cn2)CC1 575615747 UTLBXZYFXDJSSM-UHFFFAOYSA-N 366.443 0.931 0 40 FCAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)C1 629896546 REUWTDIKTGUZGR-TUVASFSCSA-N 371.503 0.469 0 40 FCAB OC1(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCOCC1 1615143987 XBUGAJOHJYYWLU-GOSISDBHSA-N 355.406 0.809 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cc[nH]n5)C[C@H]4C3)nn12 1888904416 WSFVISQFLBNCIQ-VXGBXAGGSA-N 352.402 0.618 0 40 FCAB CCOC(=O)C1=CN(Cc2nc(CCOC)no2)S(=O)(=O)N=C1C 1889125235 IESGZBMOGXVSJM-UHFFFAOYSA-N 358.376 0.227 0 40 FCAB O=C(Cn1ccnn1)N1CCC[C@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771852 FEIDAIIKQPTVJE-KRWDZBQOSA-N 357.418 0.019 0 40 FCAB CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3516572 KBSFNWNMSCHGEM-OAHLLOKOSA-N 352.778 0.953 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1C(=O)CCC1=O 9387856 LXAJLJUTGLXSFP-LLVKDONJSA-N 367.427 0.721 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12925858 ZEZJDJRNUDDCIZ-PBHICJAKSA-N 372.469 0.978 0 40 FCAB CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(N)=O 15019832 MUEWQPHFXZKAKC-UHFFFAOYSA-N 369.472 0.842 0 40 FCAB CN(c1ccc(OCC(=O)NCCCn2ccnc2)cc1)S(C)(=O)=O 22230806 UOBHCOLITUPEPM-UHFFFAOYSA-N 366.443 0.864 0 40 FCAB Cc1nn(CCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1Br 27969228 WSOIXHALZAEKMT-JTQLQIEISA-N 364.265 0.956 0 40 FCAB Cc1nc(C(=O)NCCn2ncc3c(N4CCOCC4)ncnc32)cs1 38483709 LTQHIWGRCLVFDB-UHFFFAOYSA-N 373.442 0.858 0 40 FCAB Cc1ccc(-n2cnnn2)cc1NC(=O)C(=O)N[C@@H](C)Cn1cccn1 41739005 AWIGDBWJAYVKBE-LBPRGKRZSA-N 354.374 0.311 0 40 FCAB c1cc(CNc2ccc3nnnn3n2)cc(OCCN2CCOCC2)c1 60102969 SXHGQDSZRFJGBU-UHFFFAOYSA-N 355.402 0.842 0 40 FCAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCN(CC(N)=O)C1 68464923 SAQVEKYBLMSOIS-CYBMUJFWSA-N 357.414 0.560 0 40 FCAB CCN1CCN(S(=O)(=O)c2cncc(Cl)c2N2CCNCC2)CC1 72210796 RGBRHEXAIDZYPZ-UHFFFAOYSA-N 373.910 0.471 0 40 FCAB CN(C)C1(CNC(=O)CNC(=O)c2cc(F)cc(F)c2)CCOCC1 78707121 CIEMHJYDZSFHTP-UHFFFAOYSA-N 355.385 0.922 0 40 FCAB Cc1nc(NC(=O)c2ccc(-n3cncn3)nn2)sc1C(=O)N(C)C 96097862 UBEVNUCOJJDMAN-UHFFFAOYSA-N 358.387 0.776 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1 96098093 MILZOVZHVVTNBX-CYBMUJFWSA-N 360.457 0.196 0 40 FCAB COC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]12 101092073 CNDSWJGYIOTWMA-YPMHNXCESA-N 363.757 0.898 0 40 FCAB Cc1nc(-c2ccnn2C)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257306761 SVTODWNZRVCWCX-LBPRGKRZSA-N 350.448 0.781 0 40 FCAB Cn1cc(C(=O)N2CCC[C@H](CS(=O)(=O)NCc3ccco3)C2)cn1 521396687 OUCORFRHJZMUGF-ZDUSSCGKSA-N 366.443 0.985 0 40 FCAB COc1cc(Cl)c(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)cc1OC 565994667 CBTBSNNSIJMRSO-LLVKDONJSA-N 365.791 0.831 0 40 FCAB CCN(CC(=O)c1ccc(OC)c(OC)c1)[C@H]1CS(=O)(=O)C[C@H]1O 575424626 UUSVBURNIAVOBO-GXTWGEPZSA-N 357.428 0.366 0 40 FCAB Cc1nn(C)cc1C(=O)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 585271800 JYSVTKSNOSKNTL-UHFFFAOYSA-N 350.356 0.178 0 40 FCAB O=C(CCc1cncnc1)N1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 1565544793 RIOZIBLBIBUGGF-GVDBMIGSSA-N 358.442 0.895 0 40 FCAB C[C@@H](O)CNc1nc2c(c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)n1C 1004777 WQNKDKCFJPATRF-SNVBAGLBSA-N 361.377 0.414 0 40 FCAB Cn1c(NCCCO)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 2333830 YLGNAWBLSMCENO-UHFFFAOYSA-N 361.377 0.415 0 40 FCAB biogenic CCOC(=O)CCCNC(=O)CSc1nnc(-c2cccnc2)n1N 3387348 QFKVHSXTHDCBFZ-UHFFFAOYSA-N 364.431 0.606 0 40 FCAB COC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 5218805 WINVLSRAHTVPDR-FVMDXXJSSA-N 355.341 0.883 0 40 FCAB CCNc1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)s1 9496717 YQBPPXDGWREMAM-UHFFFAOYSA-N 368.444 0.712 0 40 FCAB Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)Cn3cncn3)nc12 12146422 HVYRYPYAAUVBDD-ZDUSSCGKSA-N 365.397 0.754 0 40 FCAB Cn1ccnc1[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Cl)cc1 12530512 TUWVMNXJGIBVIF-HNNXBMFYSA-N 373.800 0.829 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1 14085840 NBFJGFFHDRGIND-UHFFFAOYSA-N 369.487 0.779 0 40 FCAB C[C@H](C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1)N1CCOCC1 19078511 UXZKSTJTCSOYCN-CABCVRRESA-N 359.474 0.549 0 40 FCAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCc1cnccn1 19374601 MAZWZFILQNFBIJ-UHFFFAOYSA-N 360.395 0.370 0 40 FCAB CN(Cc1ccsc1)C(=O)CN1CCN(CC(=O)NC2CC2)CC1 20952376 NPKDAKGSELMMLO-UHFFFAOYSA-N 350.488 0.603 0 40 FCAB CN(CC(=O)NC(C)(C)C)C(=O)CN(C)S(=O)(=O)c1cccs1 21937772 SAZODKRBFUTNMF-UHFFFAOYSA-N 361.489 0.742 0 40 FCAB COCCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207856 KXVWUSSEDVUVOW-UHFFFAOYSA-N 350.824 0.732 0 40 FCAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCc1ccncc1 36354261 QAHFKVQEVJPNNP-KBPBESRZSA-N 368.459 0.209 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 36396131 AWCWGQONKOZCJX-DOMZBBRYSA-N 365.405 0.709 0 40 FCAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCCNC2=O)c1 40146137 QWTCBWZVJPRFAY-ZDUSSCGKSA-N 373.862 0.989 0 40 FCAB Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3cnccn3)CC2)n1 48985036 FTHUBQIXVYKHMY-UHFFFAOYSA-N 369.429 0.374 0 40 FCAB COC(=O)C1(O)CCN(CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)CC1 95455795 FSZAWLFHRZMLNP-STQMWFEESA-N 355.435 0.391 0 40 FCAB CN(C)S(=O)(=O)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21 96044449 YMSBHYUTPKYWMS-AWEZNQCLSA-N 358.464 0.320 0 40 FCAB CN(C)Cc1ccc(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)cc1 257208288 BLMYMLCEVVCWKE-LJQANCHMSA-N 355.442 0.909 0 40 FCAB CN1CCn2c(C(=O)N3CCOCC3)nnc2C12CCN(CC1CC1)CC2 306133902 MYVLZIGAJUVVSD-UHFFFAOYSA-N 374.489 0.397 0 40 FCAB Cn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)c3ccnn3C)C2)cn1 585111939 DWVKYUJEGFNPJV-OAHLLOKOSA-N 368.445 0.727 0 40 FCAB O=C(NCc1nc(O)c2ccccc2n1)C(F)(F)C(=O)N1CCOCC1 585138358 JDAOCYYFWBRAEQ-UHFFFAOYSA-N 366.324 0.446 0 40 FCAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(S(C)(=O)=O)C[C@H]4C3)ncn2)n1 585614403 GSWMJRBJFNEYCJ-ZIAGYGMSSA-N 362.459 0.607 0 40 FCAB N=c1[nH]c2nc(CN3CCO[C@]4(CCc5ccccc54)C3)cc(=O)n2[nH]1 621270365 ZEFACAMNRJHHHU-GOSISDBHSA-N 352.398 0.504 0 40 FCAB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)CCS(C)(=O)=O)C2 1565547592 QGXVGJYIMVFWAS-UHFFFAOYSA-N 354.476 0.683 0 40 FCAB COc1ccc(/C=C/C(=O)N2C[C@@H]3CC[C@@H](N)[C@H]3C2)cc1S(N)(=O)=O 1615051650 KAIYQUILBZJGOA-ZUFUMTHQSA-N 365.455 0.552 0 40 FCAB O=C(CN1C(=O)c2ccccc2C1=O)NCC1(O)CSCCSC1 1889096868 KUEIMXRRSQIPER-UHFFFAOYSA-N 366.464 0.610 0 40 FCAB COCC(=O)N1C[C@@H]2COC[C@]2(CC(=O)NCCc2cccs2)C1 2055754563 BAEWOYKITKKSDB-DYVFJYSZSA-N 352.456 0.918 0 40 FCAB CC(C)N[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@H](O)[C@H]1c1cnc(C2CC2)[nH]1 2332241819 NJSJKNBFIQWXKR-XOSAIJSUSA-N 362.474 0.977 0 40 FCAB COC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(N)=O)C1=O 8092044 INEVPCZWHNOWPH-IZZDOVSWSA-N 350.352 0.760 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)O)[C@@H](C)O)cc1 8754738 FMEQRRQYIAMEQO-ZWNOBZJWSA-N 358.416 0.281 0 40 FCAB CC[C@H](C(=O)N1CCN(C=O)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715952 VCSHPXRTNNJDPK-OAHLLOKOSA-N 371.434 0.671 0 40 FCAB CN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccccc1 16187792 JQNQMFKKDRLMBA-UHFFFAOYSA-N 355.460 0.146 0 40 FCAB NC(=O)c1ccccc1NC(=O)C(=O)Cc1nc2ccccc2[nH]c1=O 16958014 RNHSYZXBGWOANI-UHFFFAOYSA-N 350.334 0.772 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 20728187 DAKUHCWRRVPFHW-LBPRGKRZSA-N 369.418 0.282 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1cccc(NS(C)(=O)=O)c1 23100230 HIJQGJAPWOPPBS-UHFFFAOYSA-N 366.399 0.314 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1=NN(C)C(=O)CC1 27446865 BOEWMNQBFZKHCM-UHFFFAOYSA-N 352.416 0.792 0 40 FCAB CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(O)c1 36358956 WTPUDZONOLIAML-JSGCOSHPSA-N 369.443 0.842 0 40 FCAB C[C@@]1(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CCS(=O)(=O)C1 39978486 CGEWTPYKQUQGJY-OAHLLOKOSA-N 372.468 0.316 0 40 FCAB CS(=O)(=O)N1CCN(CCNC(=O)Nc2ccc3c(c2)OCO3)CC1 44226903 RMZHHBOUTIJQBI-UHFFFAOYSA-N 370.431 0.114 0 40 FCAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 48366485 PTRQFWZSSAVRCQ-JKSUJKDBSA-N 366.429 0.992 0 40 FCAB COc1ccc(NC(=O)C[C@@H](CN2CCN(CCO)CC2)C(=O)O)cc1 71282326 DPAWBSABRRMLNP-AWEZNQCLSA-N 365.430 0.335 0 40 FCAB O=C(Nc1cn[nH]c1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 72307020 BFHNALCBRRDJKH-CQSZACIVSA-N 354.370 0.486 0 40 FCAB Cc1noc(C)c1S(=O)(=O)NCCn1nc(-n2ccnc2)ccc1=O 75163045 YGMZXROHBHRWPU-UHFFFAOYSA-N 364.387 0.012 0 40 FCAB NC(=O)CN1C(=O)[C@@]2(CCN(c3ncnc4c3CCC4)C2)c2ccccc21 77538138 XDIYNGULFXTUPP-HXUWFJFHSA-N 363.421 0.945 0 40 FCAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NCCN4CCCC4)O[C@@H]3C2)nn1 96066194 MYQIEMFUZNKZQH-YESZJQIVSA-N 359.474 0.981 0 40 FCAB CC[C@H](C)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OC(C)(C)C)C(N)=O 101220190 DQPATYLWJCKMTG-JBLDHEPKSA-N 358.439 0.032 0 40 FCAB Cc1ccc(S(=O)(=O)[C@@]23OC(C)(C)O[C@H]2[C@H](O)[C@@H]2CO[C@@H]3O2)cc1 103626947 GDLOUXJFINZTDN-QKDZRIPBSA-N 356.396 0.733 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)c1 108530582 QLSCROGBTXHYIH-LBPRGKRZSA-N 356.448 0.123 0 40 FCAB COc1ccc(CN(C(C)=O)[C@@H](C)C(=O)NCCN2CCOCC2)cc1 222975108 DQLGVOHHRYMGLF-HNNXBMFYSA-N 363.458 0.881 0 40 FCAB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 225502531 ILIDNFLBCXHNFB-LBPRGKRZSA-N 358.402 0.320 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cncc(-c3ccnn3C)n2)C1 257277700 NZBBIVAXKYHMLS-GFCCVEGCSA-N 350.448 0.863 0 40 FCAB Cc1cc(C)nc([C@@H]2CN(S(=O)(=O)c3cn(C)nc3C)CCO2)n1 257300759 RVOWYOGGXASQKK-ZDUSSCGKSA-N 351.432 0.898 0 40 FCAB O=C(C1CC1)N1CC[C@]2(C1)Cn1c(nn(C3CCCC3)c(=O)c1=O)CO2 306126500 DXWBFBMYMDSRRG-SFHVURJKSA-N 360.414 0.431 0 40 FCAB Cn1nncc1S(=O)(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 330137683 IAHVXJBKTZDZLQ-NSHDSACASA-N 373.797 0.691 0 40 FCAB COC(=O)c1cn(-n2c(C)cc(C)c(C(N)=O)c2=O)cc2c(O)nnc1-2 524734881 SWLDWKLTPACFML-UHFFFAOYSA-N 357.326 0.064 0 40 FCAB COC(=O)c1c(F)cccc1NC(=O)C(=O)N(C)CCN1CCCC1=O 526391827 NPTSHHVIGGYDFX-UHFFFAOYSA-N 365.361 0.632 0 40 FCAB CN1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)[C@@H](CN)C1 571646559 SVPNMHKVHLVYCT-NSHDSACASA-N 364.874 0.730 0 40 FCAB O=S(=O)(c1cccnc1)N1Cc2ccnn2[C@H](COc2ncccn2)C1 575406637 QCICTVNFGBFXFB-AWEZNQCLSA-N 372.410 0.893 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 575423452 QOXDFMRRQOZYBO-CQSZACIVSA-N 360.457 0.178 0 40 FCAB Cn1nnnc1SCC(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575611624 DVQHHTKRGXEWTC-SNVBAGLBSA-N 369.838 0.816 0 40 FCAB CNC(=O)C[C@]1(COC)CN(C(=O)c2n[nH]c3c2CCCC3)CCO1 585277172 GJVVMSHGTCUXTN-QGZVFWFLSA-N 350.419 0.282 0 40 FCAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)[C@@H]1COc2ccccc2O1 585287909 HBLOFKFFPIZHOI-OMNBBPDLSA-N 351.399 0.433 0 40 FCAB CN(C)C/C=C/C(=O)N1CCC([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)CC1 585290413 WFCRYWNYGDGIOW-FNTIZSMSSA-N 350.463 0.777 0 40 FCAB CN(C)C(=O)c1cccc(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1 639955282 ZLECBAQDEPJBRR-OALUTQOASA-N 372.425 0.312 0 40 FCAB CN(C)C(=O)COCc1cncc2c1CCN(C(=O)c1ncn(C)n1)C2 1565553150 MABUJKILOYGAFF-UHFFFAOYSA-N 358.402 0.013 0 40 FCAB O=C1C[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)CN1Cc1ccccc1 1889152002 CGZMOMRVNIQNOK-INIZCTEOSA-N 369.425 0.799 0 40 FCAB COC(=O)COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C 813956 HZZTWCYVVRTNDN-UHFFFAOYSA-N 370.427 0.433 0 40 FCAB Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)O)cc2oc1=O 2137456 WRYKBKCLQJZNNK-UHFFFAOYSA-N 362.338 0.106 0 40 FCAB biogenic COC(=O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)ccc1Cl 4183353 MYMVUHVMVHOLJG-ZOPJHEKZSA-N 363.753 0.932 0 40 FCAB Cc1ccc(NC2=C(Br)C(=O)O[C@@H]2C(C(N)=O)C(N)=O)cc1 5337483 AUWJJQHTIRFUCD-LLVKDONJSA-N 368.187 0.526 0 40 FCAB Cc1ccc(Sc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1 5707091 ZDAQKEGYECYJHL-XZBIERFOSA-N 374.422 0.897 0 40 FCAB CCCCC(=O)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1 12444869 FUYIJYBMLYZLFT-UHFFFAOYSA-N 355.464 0.235 0 40 FCAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(S(C)(=O)=O)CC1 14197385 OJWXIZIJABCLNE-CYBMUJFWSA-N 355.460 0.908 0 40 FCAB COc1ccccc1S(=O)(=O)N1C[C@@H](NC(C)=O)CC12CCNCC2 19704135 JCKCOISEJLNQLN-AWEZNQCLSA-N 367.471 0.717 0 40 FCAB CNc1nc([C@@H]2CCCCN2C(=O)CNC(C)=O)nc2c1CN(C)CC2 19711527 VYDWASDBQCIXPD-HNNXBMFYSA-N 360.462 0.696 0 40 FCAB CCc1nc(N2CCN(S(=O)(=O)CC)CC2)c2c(n1)c(C)nn2C 28557613 SHCDLKWBVIXGFU-UHFFFAOYSA-N 352.464 0.706 0 40 FCAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N1CCN(C)CC1)O2 38858542 OBZQONWFFORBPE-OAHLLOKOSA-N 353.444 0.296 0 40 FCAB CS(=O)(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)CC1 45958009 BEXYZGDXVUTZBU-LBPRGKRZSA-N 367.427 0.206 0 40 FCAB Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c(C)c1 54535466 OIOVNAHGAWNXII-UHFFFAOYSA-N 351.428 0.975 0 40 FCAB COC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(N)=O)cc2)CC1 58129580 PMXQFFDKCZFPNP-UHFFFAOYSA-N 356.404 0.686 0 40 FCAB COC(=O)Cc1nnn(CC(=O)NC[C@@H](C)c2nc3ccccc3s2)n1 58181207 ZNYKCMDUPPBFIA-SNVBAGLBSA-N 374.426 0.918 0 40 FCAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CCCC3)cn2)CC1 69914781 AUBBUJPDRJZCHR-UHFFFAOYSA-N 353.448 0.791 0 40 FCAB COCCNC(=O)CN1CCN([C@H](C)c2nnc(CC(C)C)o2)CC1 95956610 JIPWDMURNZJIQQ-CQSZACIVSA-N 353.467 0.709 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2ccnnc2)C[C@]2(CC(=O)N(C)C2)C1 97952771 IEFVEUSZQYBVAK-GOSISDBHSA-N 374.445 0.201 0 40 FCAB 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COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)C(C)(C)C)CC1 2055746194 XROIRFJUIWSKHL-UHFFFAOYSA-N 365.478 0.424 0 40 FCAB O=C1CO[C@H](CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)CN1 2086968230 MMADRSVGYDHFKA-HNNXBMFYSA-N 374.416 0.763 0 40 FCAB O[C@@H](COc1ccc(OC[C@H](O)Cn2ccnc2)cc1)Cn1ccnc1 3902338 BFNAQQMZMYIXFT-HZPDHXFCSA-N 358.398 0.959 0 40 FCAB CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 7425834 YDNAIIGEYHZTNY-LBPRGKRZSA-N 373.413 0.685 0 40 FCAB CNC(=O)Cn1c(CO)cnc1SCC(=O)N1CCc2ccccc21 9827331 IRLQPKCZPMUCKL-UHFFFAOYSA-N 360.439 0.803 0 40 FCAB COc1cc2c(cc1CCNS(=O)(=O)[C@H]1CCS(=O)(=O)C1)CCC2 12363379 LJOYPSSCHUMGOK-HNNXBMFYSA-N 373.496 0.833 0 40 FCAB COC(=O)c1ccc2c(=O)[nH]c(CN3CCN(C(=O)C4CC4)CC3)nc2c1 12740882 KSHGCCXUVFEVLF-UHFFFAOYSA-N 370.409 0.764 0 40 FCAB CCCN1C(=O)[C@@H](NC(=O)C(=O)NCCN2CCOCC2)c2ccccc21 13629449 GJGXLPBVBQTKJB-INIZCTEOSA-N 374.441 0.049 0 40 FCAB O=C(O)c1nc2cn1/C=C\C=N/CC1=CN3C=CC=N[C@]3(C(=O)O)N1C2 17108621 FNQNTCHQOZUQHN-AWIJTZISSA-N 354.326 0.432 0 40 FCAB O=C(CN1CCN(CC(=O)Nc2nccs2)CC1)Nc1nccs1 21999882 LIAGXAAXFQJCRT-UHFFFAOYSA-N 366.472 0.794 0 40 FCAB O=c1cccnn1CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 23137435 WLEOEBFMMFARNQ-UHFFFAOYSA-N 351.384 0.383 0 40 FCAB CC(C)n1ncc2cc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cnc21 24961110 MAKCQLAAEUWDQA-UHFFFAOYSA-N 356.386 0.826 0 40 FCAB Cn1ccnc1[C@@H](NS(=O)(=O)N1CCOCC1)c1ccc(F)cc1 32900060 BNOLDEFHQONNLB-AWEZNQCLSA-N 354.407 0.815 0 40 FCAB O=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(Cl)c1 36359429 ZPJYSWINFUFGMK-SECBINFHSA-N 363.798 0.904 0 40 FCAB CC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 39578006 NJZZWERIFZFKMT-CYBMUJFWSA-N 369.395 0.743 0 40 FCAB COCC(=O)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 40122351 HOJSNXWQUKQDPP-UHFFFAOYSA-N 352.387 0.643 0 40 FCAB COC[C@H](C)NC(=O)CS(=O)(=O)Cc1cc(C(C)=O)ccc1OC 40161967 KBNVGAKTGHTLOG-NSHDSACASA-N 357.428 0.964 0 40 FCAB COc1cccc(NC(=O)C[C@H](CN2CCN(C(C)=O)CC2)C(=O)O)c1 61721785 ANRULROJGKHDIS-CQSZACIVSA-N 363.414 0.889 0 40 FCAB CCS(=O)(=O)N1CCC(NC(=O)[C@H](C)OC[C@H]2CCCCO2)CC1 66311473 NLPDTHWSSZAUJV-DZGCQCFKSA-N 362.492 0.891 0 40 FCAB CCOC(=O)[C@]12CCCN(S(C)(=O)=O)C[C@H]1CN(CCN(C)C)C2 96083034 YSLLECGCLDAFAM-ZBFHGGJFSA-N 361.508 0.085 0 40 FCAB O=C(c1cnn2cccnc12)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257207321 BHFMGMHVWCQHJG-ZDUSSCGKSA-N 354.370 0.699 0 40 FCAB Cc1nccc(C(=O)N2CC[C@H](n3cc(C)c(O)nc3=O)[C@@](C)(O)C2)n1 257331676 XTUGCOGYYRKMBS-GUYCJALGSA-N 359.386 0.194 0 40 FCAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(C(=O)Cc3ccn(C)n3)[C@@H]2C1 585108288 PJPDAZROGWOBKL-IMJJTQAJSA-N 364.446 0.073 0 40 FCAB COC(=O)c1cnc2ncnn2c1-c1cnc(N2CCOCC2)nc1C 618256973 PQDHYJIQUHVPMF-UHFFFAOYSA-N 355.358 0.513 0 40 FCAB COc1cccc(NC(=O)N2C[C@@H]3OCCS(=O)(=O)N(C)[C@@H]3C2)c1 1534640219 VILJGSUFWNEVEG-KGLIPLIRSA-N 355.416 0.572 0 40 FCAB O=C(NC1CCC1)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(-c2ccccc2)nn1 1549159250 VHRZMJPVMTUQNY-GVDBMIGSSA-N 357.414 0.925 0 40 FCAB O=C1NC(=O)[C@]2(CCCN(C(=O)Nc3ccc4c(c3)C(=O)NCC4)C2)N1 1668040067 GCYAPLDPJKQJQG-QGZVFWFLSA-N 357.370 0.178 0 40 FCAB O=C(CN1CCN(c2ccc(-n3cccn3)nn2)CC1)N1CCCCC1 1889130297 WDJZCKGVQOLVOR-UHFFFAOYSA-N 355.446 0.797 0 40 FCAB CN(C)c1cc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)ncn1 2086884500 AWBGSFXGRXSYDH-UHFFFAOYSA-N 370.461 0.496 0 40 FCAB Cn1nc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc2c1=O 5858787 QGTYLAIGJIAWAP-UHFFFAOYSA-N 358.379 0.833 0 40 FCAB COCCNC(=O)c1cn(C)c2c(=O)n(Cc3ccccc3)c(=O)[nH]c12 9821161 FSSZBLQGPQDXTI-UHFFFAOYSA-N 356.382 0.453 0 40 FCAB CCOC(=O)CC(=O)CSc1c(C)cnc2c1c(=O)n(C)c(=O)n2C 10216503 VFEHFCVEEATABB-UHFFFAOYSA-N 365.411 0.555 0 40 FCAB CC(=O)c1ccc(N2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2)cc1 12515843 ILLDZDBCJYISER-OAHLLOKOSA-N 358.398 0.526 0 40 FCAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1C[C@H](C)O[C@H](C)C1 12547840 QQDMGXPXGWRXQV-PHIMTYICSA-N 374.445 0.402 0 40 FCAB C[C@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 12620887 GCMSCGKYMYVKMK-BETUJISGSA-N 355.460 0.102 0 40 FCAB C[C@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 13116353 DLQUTUMIIMXHJV-LBPRGKRZSA-N 357.414 0.469 0 40 FCAB C/C(NCCN1CCOCC1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 19371858 AAHSZAHPYQUSSB-JQIJEIRASA-N 372.425 0.774 0 40 FCAB NC(=O)CN1CCC[C@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 19657455 AHRABMKSAAUHKU-HNNXBMFYSA-N 374.441 0.295 0 40 FCAB CC1(C)CC(=O)[C@H]([C@@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)CO1 19932579 VYIYNYDSVFPMOK-FOIQADDNSA-N 374.437 0.895 0 40 FCAB CN(C)CCN(C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNCc1cccc(Cl)c1 20464994 JTVQSZODHVHVED-VSZNYVQBSA-N 371.909 0.412 0 40 FCAB biogenic,in-vitro c1ccc2c(c1)nc1n2CN(CCCN2CCOCC2)CN1n1cnnc1 20637297 RKQJFPFDUKPTJC-UHFFFAOYSA-N 368.445 0.850 0 40 FCAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCO)cc1OC 20732802 FQLAOEFCUBCFCU-UHFFFAOYSA-N 359.382 0.715 0 40 FCAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2 20760997 GDIYQIUQBDAMCC-MRXNPFEDSA-N 358.354 0.969 0 40 FCAB biogenic CC1=C(CC[C@@H](C)O)C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 31168496 UJRMJTIXXKZFGB-JGMJVPOWSA-N 374.474 0.469 0 40 FCAB biogenic,in-vitro C[C@@H](C(=O)NC1CC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326340 APTZVOHAMXJLGT-VOJFVSQTSA-N 357.414 0.613 0 40 FCAB Cc1ccc(N2CC[C@H](C(=O)NCC3(C(N)=O)CCOCC3)C2=O)cc1 84150586 CJBXEGOFZFRIAB-OAHLLOKOSA-N 359.426 0.746 0 40 FCAB NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 89774442 XBZSGCGIJXNGKW-SNVBAGLBSA-N 369.262 0.501 0 40 FCAB CCCS(=O)(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961325 HRGBQVYPOZRMJK-HNNXBMFYSA-N 369.491 0.273 0 40 FCAB CN(C)C(=O)CN1CCC2(CCN(C(=O)C3CCOCC3)CC2)C1=O 96046869 ZPEBAIYTKMJHEF-UHFFFAOYSA-N 351.447 0.342 0 40 FCAB CN(CC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1)S(C)(=O)=O 220752318 ZIGLMIPITIFMJZ-LLVKDONJSA-N 356.448 0.620 0 40 FCAB Cc1ccc(O[C@@H]2CCCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)nn1 225460042 PZIKVLDFQLWQHI-CYBMUJFWSA-N 359.386 0.095 0 40 FCAB O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCOCC1)c1cnco1 257279424 OGNOYBCRAFCTIB-JHNDHUHGSA-N 374.397 0.081 0 40 FCAB CC(=O)NCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(N)=O)C1 257323728 WLPPXEDIZZIIGH-WFASDCNBSA-N 367.833 0.947 0 40 FCAB Cc1nc(CO[C@@H]2CN(S(=O)(=O)N(C)C)Cc3ccnn3C2)cs1 306133194 MEPROPFPFPCHTG-CQSZACIVSA-N 371.488 0.855 0 40 FCAB O=C(N1CCCC1)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 585102727 BYNMWNSAIDGKLT-ZDUSSCGKSA-N 366.443 0.560 0 40 FCAB CO[C@@]1(CC(=O)NCCn2nc(C)cc2C)COCCN(C(C)=O)C1 585280667 MWRFMUJGYTZHET-QGZVFWFLSA-N 352.435 0.270 0 40 FCAB CC(C)CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1ccc(N(C)C)nc1 585288015 MOGJJTLDMXPJPB-INMHGKMJSA-N 351.447 0.614 0 40 FCAB COC(=O)[C@H]1C[C@@H](O)CN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)C1 592912393 OHUHXSGMBGXHRN-LSDHHAIUSA-N 371.393 0.293 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(Cc2cc(OC)c3c(c2)OCCO3)C1 643756141 MKNSRWCMWAOJQC-GOSISDBHSA-N 350.415 0.929 0 40 FCAB COc1cc(C(=O)N2CCO[C@@H](CN(CC(=O)O)C(C)=O)C2)ccc1F 648439243 IRRIOQOFGCIHGV-CYBMUJFWSA-N 368.361 0.608 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c1 1152805760 NKVLPHJHBJMEBY-DOMZBBRYSA-N 361.398 0.882 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2nccs2)C(=O)C1 1565523306 JXJMRNIBNGRFBS-UHFFFAOYSA-N 358.379 0.926 0 40 FCAB CC(=O)N[C@@H]1CN(C(=O)NCc2cc(C)ccn2)C[C@H]1c1ccnn1C 1615548797 PDAJESPXMZZBAG-HZPDHXFCSA-N 356.430 0.937 0 40 FCAB CO[C@@H](CN(Cc1nnc2n1CCOCC2)S(C)(=O)=O)C1CCCC1 1615551311 PMBWFUGDOLDUDI-AWEZNQCLSA-N 372.491 0.818 0 40 FCAB CCOP(=O)(CS(=O)(=O)CC[C@]1(C)NC(=O)NC1=O)OCC 1608044 DEKGHSQXNZJMJD-NSHDSACASA-N 356.337 0.613 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H](Cc1ccccc1)C(=O)O 3985238 ZNDXGRFQWAHVFG-OAHLLOKOSA-N 367.361 0.502 0 40 FCAB biogenic O=C(NCCCn1ccnc1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4316706 BEPMZGNLDXKVHN-UHFFFAOYSA-N 367.409 0.863 0 40 FCAB COC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1N 6172719 LGOSSRONPVHZSC-SNVBAGLBSA-N 351.432 0.911 0 40 FCAB COc1ccc(CNC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1OC 6435788 YQIXGACBXOVAJR-UHFFFAOYSA-N 363.370 0.519 0 40 FCAB COc1ccc(C(=O)NCCO)cc1S(=O)(=O)NCc1ccccc1 8476202 LUKIIGFWNMRIOF-UHFFFAOYSA-N 364.423 0.896 0 40 FCAB COc1cc(S(=O)(=O)NCCC(=O)N2CCCC2)ccc1NC(C)=O 12567018 ZMWUSPOHOLAJQX-UHFFFAOYSA-N 369.443 0.944 0 40 FCAB CN(CC(=O)OCC(=O)NC[C@@H]1COc2ccccc2O1)c1ncccn1 23173521 LMQVURKKOAYSKU-CYBMUJFWSA-N 372.381 0.412 0 40 FCAB CCc1nnc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)s1 28975665 HOSJUDGWGUWJNX-IUCAKERBSA-N 358.445 0.075 0 40 FCAB COc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)ccc1C 58217872 TXSNZFSKSIGOSU-HUUCEWRRSA-N 352.456 0.995 0 40 FCAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCN([C@H]2CCCCNC2=O)CC1 72308540 JJZNXUWPTDZNPU-GJZGRUSLSA-N 363.462 0.986 0 40 FCAB Cn1c(=O)c2ccc(C(=O)N3CCC[C@H]3[C@@H]3CCCC3=O)nc2n(C)c1=O 95451318 PFWWQRDBACYBRT-FZMZJTMJSA-N 370.409 0.606 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2ccncc2)C[C@]2(CC(=O)N(C)C2)C1 96036108 WGWZGIATODWVSW-LJQANCHMSA-N 373.457 0.806 0 40 FCAB CN(C)S(=O)(=O)N(C)CCOC(=O)c1cccc(-n2ccnc2)n1 97164836 VGISFWSGDOLWOG-UHFFFAOYSA-N 353.404 0.162 0 40 FCAB O=C(Cn1ncccc1=O)NCc1nnc2ccc(-c3ccsc3)nn12 244975143 IDINUZZEKXKLOX-UHFFFAOYSA-N 367.394 0.726 0 40 FCAB COc1ccc2ccccc2c1CN1C[C@@H](O)[C@H](NS(C)(=O)=O)C1 257237426 HGKLIPHRFJWCMF-HZPDHXFCSA-N 350.440 0.943 0 40 FCAB O=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O)c1n[nH]c2c1CCC2 257247019 IXAQUPPCEKWDJX-JOCBIADPSA-N 357.410 0.960 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)N1CCOC[C@H]1CCc1cnccn1 257272303 NBWZECIWHHPDOS-CQSZACIVSA-N 351.432 0.541 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CN(C)[C@@H](C(=O)N(C)Cc1ccccn1)CO2 575404838 DPPXNTKMHCZBJF-HYVNUMGLSA-N 372.469 0.608 0 40 FCAB CCN(C(=O)c1ccc(OCCN(C)C)cc1)[C@@H]1COC[C@@H](O)[C@H]1O 585286971 PNNAFDPZTLOBTN-ZACQAIPSSA-N 352.431 0.210 0 40 FCAB O=S(=O)(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccc2c(c1)OCO2 643771430 RTZGLVOKWJMFPE-BNOWGMLFSA-N 354.428 0.681 0 40 FCAB COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3ccnc3)[C@H]2O)cc1 952845011 YIFAHSWRIUKVAE-DGXTUMSLSA-N 360.370 0.739 0 40 FCAB biogenic,in-vitro COc1cccc(CN2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@H]3C2)n1 1549161419 KVULGNAYLHXLPT-OAHLLOKOSA-N 372.425 0.718 0 40 FCAB Cc1nsc(C)c1CN(Cc1nnc2n1CCOCC2)S(C)(=O)=O 1615553689 YEZDJMTUFZHFSY-UHFFFAOYSA-N 371.488 0.886 0 40 FCAB O=P(c1ccc2c(c1)OCCO2)(N1CCOCC1)N1CCOCC1 3203660 FRXYNFYQSUXGSO-UHFFFAOYSA-N 354.343 0.941 0 40 FCAB Cn1c(=O)n(CC(=O)NCCCN)c(=O)c2c3c(sc21)CCCC3 6760013 KQJIATXKEOXJLC-UHFFFAOYSA-N 350.444 0.106 0 40 FCAB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)NC1=S 8109429 BLGVUKSQUUCRSY-WTKPLQERSA-N 352.368 0.640 0 40 FCAB O=C1CCC(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)=NN1 12326184 FOLZLRKFMHLIRS-UHFFFAOYSA-N 362.405 0.491 0 40 FCAB CCN(CC)S(=O)(=O)c1cccc(NCC(=O)N2CCNC2=O)c1 12533730 RNUSKSFUBKWUCG-UHFFFAOYSA-N 354.432 0.681 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1nc3c(s1)CCC3)c(=O)n2C 12539971 KFZRZMTVVAWUFJ-UHFFFAOYSA-N 360.399 0.018 0 40 FCAB NS(=O)(=O)c1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 19731648 JCZYGLSFNAIHFN-OAHLLOKOSA-N 359.407 0.756 0 40 FCAB COc1ccc(C(=O)N2CCCC[C@H]2CCNS(=O)(=O)N(C)C)cn1 19745895 IONVMNOTQNDLFH-AWEZNQCLSA-N 370.475 0.871 0 40 FCAB COc1ccc(OCCNS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 36182719 IERXCHFAKGXPCZ-UHFFFAOYSA-N 372.428 0.862 0 40 FCAB C[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 36575868 APZVUZBCYWASAN-LBPRGKRZSA-N 356.382 0.447 0 40 FCAB CC(C)[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)N1CCOCC1 40040752 LIRUCZBQEZOXRJ-QGZVFWFLSA-N 358.442 0.939 0 40 FCAB O=C(CNC(=O)Cn1cnc2ccccc2c1=O)NCc1ccncc1 40286666 XIDCBJARPJCIGB-UHFFFAOYSA-N 351.366 0.224 0 40 FCAB CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1 58193489 IZYRVKHCJWEEHX-INIZCTEOSA-N 373.434 0.908 0 40 FCAB Cc1cc(Cl)ccc1S(=O)(=O)NCCN1CCCS1(=O)=O 60924814 GBCVFYVUMBHOCG-UHFFFAOYSA-N 352.865 0.962 0 40 FCAB COC(=O)CCN(C)S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 76041922 WOPBKISIVZTMBI-UHFFFAOYSA-N 355.416 0.730 0 40 FCAB CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)C2CCOCC2)c1 84791109 AZZZOZFGVQCSJQ-HNNXBMFYSA-N 374.434 0.641 0 40 FCAB C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@H]23 85897048 NPYPUYCITBTPSF-LDUVGVLHSA-N 351.399 0.164 0 40 FCAB O=C(O)[C@@H]1COCCN1S(=O)(=O)c1cccc(Br)c1 88376615 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PDPFGLQEWWHXLN-UHFFFAOYSA-N 361.442 0.753 0 40 FCAB CN1C(=O)c2cccnc2C12CCN(C(=O)CCS(C)(=O)=O)CC2 1565553001 GLIADWDFPDTWHK-UHFFFAOYSA-N 351.428 0.420 0 40 FCAB COC1(CC(=O)N2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3CC2)CCC1 1565553979 NNKJSAPKULSDRV-ZIAGYGMSSA-N 360.476 0.597 0 40 FCAB CCc1ccc(C(=O)N[C@H]2CCc3ncc(C(=O)NCCOC)n3C2)cn1 1565556760 UGMAJNBLYICYLW-HNNXBMFYSA-N 371.441 0.962 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)[C@H]5CCCO5)C[C@H]4C3)nn12 1888870109 RVZSXPACQXMPRY-MGPQQGTHSA-N 356.430 0.760 0 40 FCAB CC(C)NC(=O)N[C@H]1C[C@H]2CN[C@@H](CNC(=O)c3ccccc3)C(=O)N2C1 2332242253 WBTWBAPLPJNSLY-JYJNAYRXSA-N 373.457 0.065 0 40 FCAB COc1ccc(NC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 6657819 IIAHNOUVDQUCIE-UHFFFAOYSA-N 372.385 0.256 0 40 FCAB CC(C)CN1C(=O)CC(=O)N[C@@H]1SCC(=O)NC(=O)NC1CCCC1 10427006 IVYSFFHMYFAVNC-INIZCTEOSA-N 370.475 0.776 0 40 FCAB O=C(Cn1ccnc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 10809262 GLXBBMNTTQBIQP-UHFFFAOYSA-N 350.400 0.543 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)N[C@@H](C(=O)O)c1ccc(O)cc1 11867190 OSKFBVUBQFSGAV-OAHLLOKOSA-N 354.322 0.439 0 40 FCAB Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1CCO 12408272 GMZSGESBPMQSFH-UHFFFAOYSA-N 372.425 0.664 0 40 FCAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)N[C@@H]1CCS(=O)(=O)C1 13096960 GMNYAYYAVXEZMQ-ZGVCCVRISA-N 357.428 0.228 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc3c(c2)OCCO3)cc1 14119085 KQVRFFFFOVTEQX-UHFFFAOYSA-N 362.407 0.964 0 40 FCAB C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CCOc1ccccc1 16561008 QAWSAXILCFHIEZ-GFCCVEGCSA-N 360.414 0.248 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23627754 JTTNSMSSLPSUMU-GFCCVEGCSA-N 363.418 0.213 0 40 FCAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1n[nH]c(N)n1 32745084 DTYVXJZICOCKOZ-UHFFFAOYSA-N 354.461 0.705 0 40 FCAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1nnc(COc2ccccc2)n1 52550140 GLBRXMOFFWCCHA-AWEZNQCLSA-N 361.402 0.956 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](Cc1ccccc1)C(N)=O 58214251 LPYKYYCJPKFYQT-CQSZACIVSA-N 367.413 0.079 0 40 FCAB C/C=C/Cn1c(N2CCN(C(=O)CC)CC2)nc2c1c(=O)[nH]c(=O)n2C 72260173 PCLYDZVOCZXCOA-GQCTYLIASA-N 360.418 0.058 0 40 FCAB CCOC(=O)Cc1csc(NC(=O)CNC(=O)c2ncccc2O)n1 89984708 CPWNDKSCYACXBS-UHFFFAOYSA-N 364.383 0.718 0 40 FCAB CCCCOc1ccc(C(=O)NCC(=O)N[C@H](CO)C(=O)OC)cc1 95955466 ZBMYFKUGMIJVMH-CQSZACIVSA-N 352.387 0.245 0 40 FCAB CCS(=O)(=O)N1CCO[C@@]2(COCCN(Cc3cccnc3)C2)C1 96229430 DCJHMHMCHCBXCJ-MRXNPFEDSA-N 355.460 0.335 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 100085683 ICCXKLSOKHDUBT-DZGCQCFKSA-N 357.366 0.943 0 40 FCAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2nccc(CN(C)C)n2)C1 257258112 KSKYYRPJTAMKBX-AWEZNQCLSA-N 357.480 0.498 0 40 FCAB CC(C)c1nccn1CCC(=O)N1CC[C@@](O)(CN2CCOCC2)C1 257322872 WHUBIBKVSDCDES-GOSISDBHSA-N 350.463 0.692 0 40 FCAB CC(=O)N1CCCN(C[C@@H]2OC[C@H](NCc3ccc(F)cc3)[C@H]2O)CC1 514288434 FHPDAHAPKJUXPK-GBESFXJTSA-N 365.449 0.598 0 40 FCAB biogenic,in-vitro C[S@](=O)c1cccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 613850746 OCMLFIWYJYQQHG-SANMLTNESA-N 372.450 0.880 0 40 FCAB COCc1n[nH]c(CNC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)n1 617938405 XLMWLASEQBTQOG-ZDUSSCGKSA-N 373.413 0.625 0 40 FCAB O=C(NCCCc1nc(O)n[nH]1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 682264680 PPQKQLOJQUSAHR-QWHCGFSZSA-N 363.418 0.000 0 40 FCAB COCCn1c2c(ccc1=O)C[C@@H](NC(=O)CCc1cncnc1)CC2 1565542491 HNGFTSGNWHGFIE-INIZCTEOSA-N 356.426 0.891 0 40 FCAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 5473268 QQPCBVJDPBQHGU-GFCCVEGCSA-N 369.443 0.029 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccnc3)CC2)cc1 12604239 TUYWXJUBCNQBOE-UHFFFAOYSA-N 364.427 0.425 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 16024559 RZAJZQDWKRVDQO-IPJQRFBASA-N 357.410 0.690 0 40 FCAB COC(=O)C1=NN[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 18193598 JFTSJZNBEXVZNC-RKDXNWHRSA-N 352.144 0.439 0 40 FCAB CC(=O)N[C@@]12CN(C)CC[C@@H]1CN(S(=O)(=O)c1ccc(F)c(C)c1)C2 19713731 ZPDUJICDLNDVGI-RHSMWYFYSA-N 369.462 0.965 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)CCc3nc(-c4ccncc4)no3)CC2)N1 22320734 JGUIAIIGVKZSQG-UHFFFAOYSA-N 370.369 0.265 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 25208862 JLTIESYSCNHRSO-UHFFFAOYSA-N 369.443 0.299 0 40 FCAB O=C(O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 26477581 SONYREZLNPSXTH-SNVBAGLBSA-N 360.819 0.942 0 40 FCAB Cc1ccccc1NC(=O)Cc1c(Cl)nc2n(C)c(=O)n(C)c(=O)n12 28527252 XMZSQECYGRJEKS-UHFFFAOYSA-N 361.789 0.875 0 40 FCAB CCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 53645548 INQKNLHKNKRXNF-UHFFFAOYSA-N 360.457 0.545 0 40 FCAB CC(=O)N1CSC[C@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 58157251 PCGFUEXVHBGOCZ-LBPRGKRZSA-N 368.459 0.279 0 40 FCAB O=C(c1ccco1)N1CCN(c2nc(N3CCCC3)c3nn[nH]c3n2)CC1 70655798 YSLAJZROPAGIMA-UHFFFAOYSA-N 368.401 0.904 0 40 FCAB Cn1ncc2c1CCC[C@H]2NC(=O)COc1ccc(-n2cnnn2)cc1 71195565 YEPKNKLIAKLESE-OAHLLOKOSA-N 353.386 0.968 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(OC)cc3)n2)CC1 75163450 CFYQXNYHKHXWJP-UHFFFAOYSA-N 360.374 0.585 0 40 FCAB CC(C)Oc1cc(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)ccn1 89887987 WPMWHMCSFZQXKK-UHFFFAOYSA-N 352.416 0.785 0 40 FCAB COCC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC1CC1)Cn1ccnc12 96243625 JJXLXLPZJRMPPX-CQSZACIVSA-N 362.430 0.272 0 40 FCAB Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)nn1 225429958 YBZSEJFCEUCCGW-HOCLYGCPSA-N 374.441 0.792 0 40 FCAB Cc1cc(-c2ccncc2)nn1CCNC(=O)CN(C)S(C)(=O)=O 225576969 QJETUJRXQBGHAL-UHFFFAOYSA-N 351.432 0.261 0 40 FCAB COCCN1CCOC[C@@]2(CC[C@@H](CNC(=O)c3cnccn3)O2)C1 247908057 XPPIAEUUVCBYON-WMLDXEAASA-N 350.419 0.103 0 40 FCAB O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3ccccn3)C[C@H]1C2 306139410 SWOHFBWQSCKRHO-HOCLYGCPSA-N 353.426 0.829 0 40 FCAB O=S1(=O)CC[C@H](N(Cc2ccccc2)N[C@@H]2CCS(=O)(=O)C2)C1 575421862 SELDUUTXWBMERM-CABCVRRESA-N 358.485 0.367 0 40 FCAB CN1CCO[C@H](CS(=O)(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)C1 632256012 JHZVLVYXUZFUAC-AGIUHOORSA-N 374.425 0.720 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cccc4c3CCCC4)C2)C1 685941638 FIVIBESNAYHOLN-CQSZACIVSA-N 355.438 0.984 0 40 FCAB C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1Nc1ncnc2c1CCC2 1043222348 FTPBAGZNYVSOPM-BXUZGUMPSA-N 356.430 0.575 0 40 FCAB O=C(CCc1cncnc1)N1CCOC[C@]2(C[C@@H](Cn3ccnc3)CO2)C1 1565546917 GZQQZDNFPMIRBX-HKUYNNGSSA-N 371.441 0.940 0 40 FCAB Cc1cc(CC(=O)N2CCO[C@@]3(COCC(=O)N(C(C)C)C3)C2)on1 2037984869 QEFWLIALWZRSGN-KRWDZBQOSA-N 351.403 0.390 0 40 FCAB NC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 2660313 JYHOBNFSYCBUIK-UHFFFAOYSA-N 355.350 0.822 0 40 FCAB CC(=O)Cn1c(=O)c2c(nc3n(C[C@@H]4CCCO4)c(C)c(C)n23)n(C)c1=O 4314310 MVHJYLKJUGXIDY-ZDUSSCGKSA-N 373.413 0.534 0 40 FCAB COc1ccccc1[C@@H](C)N[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 7785268 SMNLPMWGEQVHPC-GHMZBOCLSA-N 360.414 0.597 0 40 FCAB Cc1oc([C@H](O)[C@@H](O)[C@H](O)CO)cc1C(=O)OCC(=O)c1ccccc1 9364252 GFMKOHHWLHDAFJ-COXVUDFISA-N 364.350 0.375 0 40 FCAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)NCCc2ccccc2)C(=O)N1 9939519 HRVBDDMXWSUJGR-UONOGXRCSA-N 350.440 0.899 0 40 FCAB Cn1c(CN2CCC(C(=O)Nc3ccccc3)CC2)cc(=O)n(C)c1=O 10905087 VTURHESLMBPQIM-UHFFFAOYSA-N 356.426 0.935 0 40 FCAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 12520792 AUFPZJRKMPOTNF-UHFFFAOYSA-N 355.398 0.482 0 40 FCAB CC(=O)[C@@H](C)n1c(CN2C[C@H](C)O[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 12529606 OSRCOTWWVHVXDX-OUAUKWLOSA-N 363.418 0.183 0 40 FCAB CC(C)NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 17807099 CVFOCLPGILPOGX-GFCCVEGCSA-N 361.398 0.452 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cccc(F)c1 20567939 UBMBSYLESNFSAK-UHFFFAOYSA-N 359.423 0.040 0 40 FCAB CCCCn1c(N)c(N(CC)CC(=O)Nc2cc(C)on2)c(=O)[nH]c1=O 21386300 JLWGCKSKDNBBRL-UHFFFAOYSA-N 364.406 0.680 0 40 FCAB COCCn1nc(C(=O)N[C@@H](CC(=O)OC)c2cccs2)ccc1=O 22502465 DLBRSDJZRIDUSV-LBPRGKRZSA-N 365.411 0.985 0 40 FCAB CCOC(=O)N1CCN(C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC1 23224758 GLFYCHIGHLLKDQ-OAHLLOKOSA-N 366.414 0.987 0 40 FCAB CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2CCCC2=O)c1 24803599 RHBBIHBGDNXKCJ-UHFFFAOYSA-N 358.347 0.040 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 25210141 SDDPVVDLONPIAT-UHFFFAOYSA-N 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CS(=O)(=O)N[C@@H]1CCOC2(CCN(C(=O)Cc3ccccn3)CC2)C1 1614932786 SVLKKKWVFGOIDJ-OAHLLOKOSA-N 367.471 0.714 0 40 FCAB CSCC[C@@H](O)CNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 1775967204 IMDDJUUASMSQIO-CYBMUJFWSA-N 370.496 0.914 0 40 FCAB O=C(CN1CCOCC1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037985648 QZXOHSBSRSYNFS-AEFFLSMTSA-N 373.453 0.599 0 40 FCAB CCOC(=O)c1sc2nc(CS(=O)(=O)CC(=O)O)[nH]c(=O)c2c1C 2615927 CBRVVMSHCCIUTQ-UHFFFAOYSA-N 374.396 0.469 0 40 FCAB COc1cccc(N2C[C@@H](NC(=O)N3CCN(C(C)=O)CC3)CC2=O)c1 4373427 WIDHKDPGDYEONK-AWEZNQCLSA-N 360.414 0.674 0 40 FCAB CCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 4554260 XJMTZINMXCZSEA-GFCCVEGCSA-N 373.500 0.934 0 40 FCAB CC(C)CCNC(=O)Cn1nnc(CCN2C(=O)c3ccccc3C2=O)n1 7424135 XHPAFOURBAVPCP-UHFFFAOYSA-N 370.413 0.674 0 40 FCAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NC[C@H]2CCCO2)cc1 8637659 WURAIOAVPMNVLZ-CQSZACIVSA-N 369.439 0.997 0 40 FCAB NC(=O)[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2O1 8751111 CRXBWNWTENEMIC-ZDUSSCGKSA-N 372.381 0.131 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc1 10255768 KUMBNUVHAYRABI-MRXNPFEDSA-N 373.434 0.994 0 40 FCAB O=C(NCc1nnc2ccccn12)c1ccc(CN2C(=O)CNC2=O)cc1 12751732 UVAGWNBTOASROB-UHFFFAOYSA-N 364.365 0.711 0 40 FCAB C[C@@H]1CN(Cn2nc(C[C@@H]3CCS(=O)(=O)C3)n(C)c2=S)CCO1 14139339 LDPKYTWRCPVFML-NEPJUHHUSA-N 360.505 0.606 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)N3CCCc4c(C(N)=O)cccc43)cnc21 32915649 VAZYXPIZECFWLO-UHFFFAOYSA-N 366.381 0.208 0 40 FCAB CC(C)[C@@H]1NC(=O)N(CC(=O)N(C)C[C@H]2COc3ccccc3O2)C1=O 40067372 ARSKHUDUTDRNML-LRDDRELGSA-N 361.398 0.861 0 40 FCAB CN1CCN(C(=O)c2ccc(CNC(=O)c3ccc[nH]c3=O)cc2)CC1 40111501 YRAYUYNCJKEYLO-UHFFFAOYSA-N 354.410 0.693 0 40 FCAB O=C1CCSC[C@@H](C(=O)NCCn2nc(-c3ccco3)ccc2=O)N1 75171466 KPZUYKCIMHACEE-LBPRGKRZSA-N 362.411 0.241 0 40 FCAB O=S(=O)(Cc1ccon1)N1CCN(Cc2nccn2C(F)F)CC1 75918349 BVYGOXFQDIXOAY-UHFFFAOYSA-N 361.374 0.914 0 40 FCAB O=C(NCC[C@H](O)C1CC1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 77108606 DCJPYQNZTVEDAG-HNNXBMFYSA-N 357.410 0.738 0 40 FCAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCOCC2)C1 89522981 STHUPEZFOUEPFU-CYBMUJFWSA-N 370.475 0.722 0 40 FCAB O=S(=O)(c1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 96000427 DXWHJTMGPQGVTQ-HNNXBMFYSA-N 374.484 0.502 0 40 FCAB CN(C)c1cc(NC[C@@H]2CC[C@@]3(COCCN(C(N)=O)C3)O2)ncn1 96063524 IHSOYUCGVKFNMZ-BLLLJJGKSA-N 350.423 0.283 0 40 FCAB CS(=O)(=O)N1CC[C@H]2C[C@@H](C(=O)NCCc3ccncc3)O[C@@H]2C1 96066244 QBNOPFISOHBYIE-SOUVJXGZSA-N 353.444 0.179 0 40 FCAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(CNS(=O)(=O)C2CC2)C1 96206917 FGXNAUSALKPKRQ-DOMZBBRYSA-N 357.501 0.982 0 40 FCAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3cc(C)on3)CC2)O1 96263052 SSAQDYRGKOAQRN-CYBMUJFWSA-N 359.386 0.456 0 40 FCAB Cc1ccc(C(=O)N2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)s1 247814502 BPXGIZDTRZLAMV-GFCCVEGCSA-N 354.457 0.999 0 40 FCAB O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CCNC[C@@H]13)O2 253408830 YTSKUGWHYRMTJI-ZOBUZTSGSA-N 373.453 0.937 0 40 FCAB COc1cccc(O[C@@H]2C[C@@H](NC(N)=O)[C@H](N3CCC(O)CC3)[C@H]2O)c1 257295418 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0.947 0 40 FCAB O[C@H](CN1CCN(Cc2ccc3c(c2)OCCO3)CC1)Cn1cccn1 40153362 CPKQRIQXOFXYRQ-QGZVFWFLSA-N 358.442 0.833 0 40 FCAB C[C@H]1CN(S(=O)(=O)CCNc2ncnc3c2cnn3C)C[C@H](C)O1 42108275 JQAIXYWPEWCPQB-QWRGUYRKSA-N 354.436 0.214 0 40 FCAB O=C(c1cn(-c2cc(N3CCOCC3)ncn2)cn1)N1CCSCC1 49411288 FIBQFXKINJTVSX-UHFFFAOYSA-N 360.443 0.688 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc3c2ccn3C)CC1 79488587 OLQCLVCODXOLSX-UHFFFAOYSA-N 350.444 0.743 0 40 FCAB CS(=O)(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@@H]2C1 96042867 XTHWESSUOFEXGT-NWANDNLSSA-N 353.444 0.179 0 40 FCAB CN(C)c1cnnc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)c1 224310552 ZIDKXCZPUHCNKO-UHFFFAOYSA-N 368.441 0.621 0 40 FCAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3ccn(C)n3)CC2)cn1 257208364 BLXQQNNWJLJPBP-UHFFFAOYSA-N 356.430 0.941 0 40 FCAB COCCC(=O)N1CCC[C@@](O)(CN2CCC(NC(C)=O)CC2)CC1 257292274 QKTGKOSGUGJABG-SFHVURJKSA-N 355.479 0.367 0 40 FCAB O=C(c1ccc(F)cc1O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 269733720 WYGWPYNRVDVRJV-UHFFFAOYSA-N 369.374 0.807 0 40 FCAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)n1nc2c(cc1=O)CCC2 575619742 KVBKNGIEOODDRR-SNVBAGLBSA-N 362.411 0.579 0 40 FCAB CN(C)C(=O)CN1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 585109661 HUXRKSQDGOJZPP-ZUWLNOFUSA-N 357.454 0.732 0 40 FCAB Cc1ccc(C[C@]2(CO)CN(C(=O)CCn3nnnc3C)CCO2)cc1 585278186 MTSRRVRVMMOAFF-GOSISDBHSA-N 359.430 0.513 0 40 FCAB Cc1noc([C@@H]2CN(C3CN(C(=O)Cc4cccnc4C)C3)CCO2)n1 685941832 HVOREBRAMGERJV-INIZCTEOSA-N 357.414 0.908 0 40 FCAB Cc1nc(C(=O)N2C[C@@H](N(C)C)[C@@]3(COCC(=O)N(C)C3)C2)cs1 1565552173 MHMHJDNFXUXEGD-CZUORRHYSA-N 352.460 0.313 0 40 FCAB Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(C(=O)C4(F)CC4)C[C@H]3O2)cn1 1614930439 QUNSVVKOFPNVLH-AEGPPILISA-N 362.405 0.909 0 40 FCAB COC(=O)Cn1c(S[C@@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 7753894 UTMHBCNGHFQHGR-QMMMGPOBSA-N 364.383 0.245 0 40 FCAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@]1(C)CCS(=O)(=O)C1 7990919 ZVPYVAYDGZZFRD-OAHLLOKOSA-N 351.432 0.367 0 40 FCAB Cc1nnc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)s1 11903876 JKDWZNNZKPBNQY-UHFFFAOYSA-N 352.397 0.884 0 40 FCAB COc1cccc(Cn2c(NC[C@@H](C)O)nc3c2c(=O)n(C)c(=O)n3C)c1 13509651 DGKHBCZFSOUDSM-LLVKDONJSA-N 373.413 0.283 0 40 FCAB COC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 14186236 AVUZYFJNPBBQQB-SECBINFHSA-N 357.384 0.854 0 40 FCAB CS(=O)(=O)NC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 14242301 BJCPVLMDVCWGRG-UHFFFAOYSA-N 364.353 0.661 0 40 FCAB Cc1ccc(OCCN(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 15364749 DBDOJROKZVDEAH-UHFFFAOYSA-N 367.427 0.092 0 40 FCAB COC(=O)c1ccc(CS(=O)(=O)NCCCN2CCOCC2)cc1 20481832 ARUYVILBKBJLAY-UHFFFAOYSA-N 356.444 0.615 0 40 FCAB O=C(c1ccc(=O)[nH]n1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 21073254 WQAOPWPGDUYOBI-UHFFFAOYSA-N 372.410 0.839 0 40 FCAB O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ncccn2)CC1 29303339 LLYQXHLBFHJUKM-UHFFFAOYSA-N 366.425 0.692 0 40 FCAB CCc1ccc(OC[C@@H](O)CN2CCN(CC(=O)NC3CC3)CC2)cc1 32772975 QKLZWPOXBFRMNO-SFHVURJKSA-N 361.486 0.885 0 40 FCAB CCOC(=O)[C@H]1CCCCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 36646447 HEGFSQOHYGYXFG-CQSZACIVSA-N 369.443 0.690 0 40 FCAB C[C@H](C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)n1ccnc1 44870134 VBVJEGBZLJQXTD-RHSMWYFYSA-N 370.409 0.955 0 40 FCAB NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 89774441 XBZSGCGIJXNGKW-JTQLQIEISA-N 369.262 0.501 0 40 FCAB NC(=O)CCNC(=O)[C@H](Cc1ccccc1)Nc1cc(Cl)nc(N)n1 89830009 FXPLHFSNONZNBX-NSHDSACASA-N 362.821 0.727 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)NCCn1ccnc1-c1ncccn1 96103941 KXCPZEURUMGQPE-UHFFFAOYSA-N 361.431 0.669 0 40 FCAB CS(=O)(=O)N[C@H]1COCCC12CCN(C(=O)c1cnccn1)CC2 96219201 QMYFNSJVYILEFG-ZDUSSCGKSA-N 354.432 0.037 0 40 FCAB O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCCO 96220902 PFCIHLCGFQLDOG-LBPRGKRZSA-N 363.370 0.115 0 40 FCAB biogenic Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(C(=O)[C@H]4CCOC4)C3)C2)cn1 96225984 SWCMAIQTMNAXJY-SCLBCKFNSA-N 373.413 0.185 0 40 FCAB C[C@@H](C(=O)NCCc1ccccc1)N1CCN(CC(=O)NC2CC2)CC1 96503667 OFNVFUUVORNALE-INIZCTEOSA-N 358.486 0.630 0 40 FCAB O=C1CCC(C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)=NN1 238847602 IRNXJOFIVJQNTF-UHFFFAOYSA-N 355.383 0.735 0 40 FCAB COCCN1C(=O)CO[C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)C[C@@H]21 257241331 HXRFOUXSVPXJLS-ROUUACIJSA-N 358.438 0.802 0 40 FCAB Cc1ccc2oc(=O)n(CCC(=O)N3CCN(C(C)C)[C@@H](C(N)=O)C3)c2c1 257246135 ISQABOJBJYXAOF-OAHLLOKOSA-N 374.441 0.700 0 40 FCAB CN(C)Cc1cnc([C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)[nH]1 257255224 KGQDWLDMBQQTOW-HNNXBMFYSA-N 355.402 0.956 0 40 FCAB C[C@@]1(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)CCS(=O)(=O)C1 387774684 ZXGSBIGVIMGETP-GFCCVEGCSA-N 367.832 0.894 0 40 FCAB CN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 575425807 XCXAEKPSXYXINV-GHMZBOCLSA-N 374.267 0.772 0 40 FCAB CC(C)C[C@H]1C(=O)NCCCCCC(=O)N[C@H](C(=O)O)CC(=O)N1C 643585220 TUPQKWVGWHLCKD-STQMWFEESA-N 355.435 0.509 0 40 FCAB CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc2c(F)cccc2[nH]1 644174752 OJXROGUEFIBCHL-SNVBAGLBSA-N 367.402 0.682 0 40 FCAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)CCc1ccncc1)CCO2 2037985383 ICCUMNQKIDTEJK-IBGZPJMESA-N 361.442 0.879 0 40 FCAB Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1ccccc1)(C(F)(F)F)C(=O)N2 4618966 KENIYFCTFSKGOU-AWEZNQCLSA-N 368.271 0.213 0 40 FCAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(F)cc2)n(C)c1=O 8281021 RSQFLSMDXGPNPX-UHFFFAOYSA-N 359.361 0.992 0 40 FCAB COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 13512007 PVQXSZXUOHLEOD-UHFFFAOYSA-N 361.377 0.679 0 40 FCAB biogenic Cc1csc(NC(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)n1 14807662 SAWXVTPNVBIABC-UHFFFAOYSA-N 361.445 0.605 0 40 FCAB O=C1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)N1 15699462 JWZDCZCPGZDYBC-LBPRGKRZSA-N 371.846 0.452 0 40 FCAB CCOC(=O)CS(=O)(=O)c1nnc([C@@H](C)NC(=O)OC(C)(C)C)o1 16010185 NNDVQEBICSMISJ-MRVPVSSYSA-N 363.392 0.992 0 40 FCAB O=C(N[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)N1CCOCC1 16789719 WFYCTJGQVPETBZ-AWEZNQCLSA-N 357.407 0.978 0 40 FCAB CN(C)CC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 19701055 PKXMGHXXEKZKMU-UHFFFAOYSA-N 368.441 0.435 0 40 FCAB O=C(CNS(=O)(=O)c1cccs1)NCc1nnc2ccccn12 24651027 WJJFGLADMFUKNY-UHFFFAOYSA-N 351.413 0.386 0 40 FCAB CCCCn1nnnc1COC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 32865466 BUJHWHTTYTZSIX-UHFFFAOYSA-N 358.358 0.220 0 40 FCAB CCCn1c(N)c(C(=O)CN2CCc3ccccc3C2)c(=O)n(C)c1=O 34800938 AJSXNDVBHRGPGU-UHFFFAOYSA-N 356.426 0.780 0 40 FCAB COc1c2c(c(S(=O)(=O)NCCCO)c3c1OCO3)CCN(C)C2 40313216 CLRDELALQOZGBL-UHFFFAOYSA-N 358.416 0.073 0 40 FCAB biogenic CCOC(=O)c1ccc(CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 55635620 CWGAUSGDOOQUJI-HNNXBMFYSA-N 368.455 0.598 0 40 FCAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCN(C)C)C2=O)cc1 96221161 ZGVSQQMLVNRWPS-HNNXBMFYSA-N 362.430 0.574 0 40 FCAB biogenic O=C(NCc1ccco1)C1=NO[C@@]2(CCN(C(=O)c3cnccn3)C2)C1 96225863 ISAHLZHIQINSCM-KRWDZBQOSA-N 355.354 0.747 0 40 FCAB COCCN(C)C(=O)c1ccc2nnc([C@H]3CCN(C(=O)N(C)C)C3)n2c1 96267618 LYAWCMZLKKMMEH-ZDUSSCGKSA-N 374.445 0.919 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(=O)c1ccnnc1)CCN(C(=O)N(C)C)C2 97952808 PEXQBTYYZPMEFO-GOSISDBHSA-N 374.445 0.155 0 40 FCAB O=C(O)c1cc(S(=O)(=O)NC[C@H](O)Cn2ccccc2=O)ccc1F 218480292 UMFWLYQBZJJWNB-JTQLQIEISA-N 370.358 0.025 0 40 FCAB CN1CCC(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)CC1 222750889 PKXOZPLSXFMYRY-INIZCTEOSA-N 367.471 0.814 0 40 FCAB O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3cccnc3)C[C@@H]1C2 306131748 KOSSYKBARAHEOB-CVEARBPZSA-N 353.426 0.829 0 40 FCAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C)CC2)cc1 408626205 UWFFRCIDUBLCJZ-CYBMUJFWSA-N 355.460 0.526 0 40 FCAB NS(=O)(=O)c1cccc(S(=O)(=O)NCc2ccccc2CO)c1 533554476 MJOBFHXUIWAZFY-UHFFFAOYSA-N 356.425 0.305 0 40 FCAB O=C(c1cc(O)nc(O)n1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575605846 HQZDUMWNXPNPRG-CYBMUJFWSA-N 363.395 0.890 0 40 FCAB CN1C[C@@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)C(=O)N1 583847774 NDDSAVKJMJTODJ-CQSZACIVSA-N 365.455 0.625 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 585108595 IVMRCCXLPLIBGR-VYDXJSESSA-N 368.455 0.791 0 40 FCAB Cc1nnc2c(N3CCN(c4ccc(-n5cccn5)nn4)CC3)nccn12 1889211632 AJPGXBQOFILMRR-UHFFFAOYSA-N 362.401 0.735 0 40 FCAB CNC(=O)[C@]1(n2cccn2)CCCN(S(=O)(=O)c2ccccc2F)C1 2055772660 KLIKRZSVSPLEBX-INIZCTEOSA-N 366.418 0.948 0 40 FCAB COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 3838651 RFWDZGQDCGMZRD-OAGGEKHMSA-N 370.457 0.813 0 40 FCAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1 8754733 FMEQRRQYIAMEQO-MFKMUULPSA-N 358.416 0.281 0 40 FCAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N(C)C)no1 12028772 WZSWCOUGWUOFCR-ZDUSSCGKSA-N 352.416 0.929 0 40 FCAB CC[C@@H](C(=O)N1CCN(C=O)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715954 VCSHPXRTNNJDPK-HNNXBMFYSA-N 371.434 0.671 0 40 FCAB CC(C)NC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCCC3)N2C1 15707512 PNTYTMVJGCDOSJ-ZNMIVQPWSA-N 365.478 0.038 0 40 FCAB biogenic,in-vitro C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)N1CCOCC1 22225208 RHLVCDRQKGUAQA-NSHDSACASA-N 359.473 0.671 0 40 FCAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(C)CC3)N2)cc1 25183301 IAYITLDAMUIPEG-HNNXBMFYSA-N 372.429 0.075 0 40 FCAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC2(CC1)NC(=O)NC2=O 29656243 MQWXCCFEQIFHAA-UHFFFAOYSA-N 369.381 0.695 0 40 FCAB CNC(=O)NC(=O)COC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 32866044 UYIQRLWLZFLORI-UHFFFAOYSA-N 360.326 0.460 0 40 FCAB CN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 40009527 TXGLWSZOCRADRF-CQSZACIVSA-N 372.468 0.486 0 40 FCAB CS(=O)(=O)Nc1cccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)c1 70839053 YPOPTRALVNPSHG-UHFFFAOYSA-N 373.456 0.421 0 40 FCAB COc1ccc(NC(=O)CNC(=O)N2CCN(c3ncccn3)CC2)cc1 72401013 UFPOWKLDFPSWLC-UHFFFAOYSA-N 370.413 0.956 0 40 FCAB CCO[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC)cc2)C1 95461329 UOGCJEPZKKYVBT-ZDUSSCGKSA-N 369.443 0.561 0 40 FCAB COc1cc(C(=O)N[C@H](C)C(=O)NCCC(=O)O)cc(OC)c1OC 95969658 JHHNSTQAGZPKMO-SECBINFHSA-N 354.359 0.422 0 40 FCAB CCOC(=O)C[C@](C)(O)CNS(=O)(=O)c1cc(Cl)cnc1N 96008939 SOJHPYKXOSNRQR-LBPRGKRZSA-N 351.812 0.300 0 40 FCAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCN1CCOCC1 100217093 RFXFUTXPPIAIDT-YZVOILCLSA-N 357.410 0.522 0 40 FCAB O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1ccc(Br)o1 102609122 TWZRJTJYNJRZFB-SXILTZBTSA-N 355.144 0.849 0 40 FCAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCN(C)C)s1 225032028 DKXLFNHFVTUAMX-UHFFFAOYSA-N 369.472 0.939 0 40 FCAB CCCn1cc(S(=O)(=O)N2CC[C@@]3(NC(C)=O)CNC[C@H]3C2)c(C)n1 257249446 JIJZRFWLFHLNQE-GOEBONIOSA-N 369.491 0.090 0 40 FCAB Cc1ccccc1C(=O)N1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 257250644 JNKHDMWOVOHELX-RDJZCZTQSA-N 352.456 0.996 0 40 FCAB CC(C)N1C(=O)CO[C@H]2CCN(S(=O)(=O)c3cn(C)cn3)CC[C@@H]21 257292311 QKXQAJHKPBXQAZ-STQMWFEESA-N 356.448 0.209 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2ccnn2C)C1 257294158 QSUVAWKNELWFHR-GFCCVEGCSA-N 350.448 0.863 0 40 FCAB CCCn1cc(CN2CCOC[C@@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257296992 RFHUAXOSZAQGKY-CYBMUJFWSA-N 353.448 0.993 0 40 FCAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)c2cnccn2)Cc2ccnn21 575402579 BYLOPTVCNWWIDA-INIZCTEOSA-N 370.413 0.413 0 40 FCAB COCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 585095408 VNVAAAZUPDHKFW-HNNXBMFYSA-N 350.419 0.346 0 40 FCAB CCn1cnc2c(N3CCN(c4ncnc5ncn(C)c45)CC3)ncnc21 1888918157 LEJATCWHOYCMRX-UHFFFAOYSA-N 364.417 0.850 0 40 FCAB CN1CCN(C(=O)c2ncn3c2CC[C@H](C(=O)NC2CCCC2)C3)CC1 2055715667 BTEPPDDGQWHZEI-AWEZNQCLSA-N 359.474 0.892 0 40 FCAB COC(=O)[C@H](C)Sc1nc(C2CC2)nc2c1c(=O)n(C)c(=O)n2C 4139088 USHFTGYCPOWQRU-ZETCQYMHSA-N 350.400 0.558 0 40 FCAB CC(=O)N1C[C@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)Oc2ccccc21 8232958 OBNGTUOSLYPJGY-GDBMZVCRSA-N 352.412 0.494 0 40 FCAB CCCn1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)n[nH]c1=O 8937882 PZSKRXNKUUWTFC-SNVBAGLBSA-N 362.477 0.109 0 40 FCAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 11241870 AGKDLKVJQZUVAK-OAHLLOKOSA-N 354.428 0.503 0 40 FCAB CCn1cnc2c1c(=O)n(CC(=O)NOC)c(=O)n2Cc1ccccc1 12560249 UCBBXZTTZCZDSG-UHFFFAOYSA-N 357.370 0.106 0 40 FCAB O=C(CNC(=O)c1ccc(Br)o1)NCCC(=O)N1CCCC1 14125897 HNHNHLOOCBYJFR-UHFFFAOYSA-N 372.219 0.901 0 40 FCAB CN1C[C@@H](C(=O)NCc2cc(N(C)C)nc(-c3cccnc3)n2)CC1=O 19587409 VJMUOLPKPMJVSB-ZDUSSCGKSA-N 354.414 0.699 0 40 FCAB CC(C)N1C[C@@H](C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CC1=O 19659511 KYUFJYRPRUMVGJ-LBPRGKRZSA-N 356.419 0.973 0 40 FCAB CC(C)CNC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCN(C)CC1 22766357 AYELCKQKIJVENP-HNNXBMFYSA-N 352.504 0.925 0 40 FCAB O=c1cc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc2sccn12 22776692 NZVLYFFAFFSBQX-ZDUSSCGKSA-N 368.484 0.061 0 40 FCAB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)no1 31786702 SZSMIEFDLIWRBG-UHFFFAOYSA-N 365.415 0.323 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)NCc1n[nH]c(=O)c2ccccc12 44059496 BGHSJULJDFOKMT-UHFFFAOYSA-N 361.361 0.949 0 40 FCAB O=C(Nc1ccc(-n2cncn2)nc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 48326532 BXZAOOYVADZLCQ-CQSZACIVSA-N 371.401 0.517 0 40 FCAB Cc1ncccc1CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 91976052 UNAWLPYMRAIEJT-UHFFFAOYSA-N 364.427 0.588 0 40 FCAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(S(=O)(=O)C1CC1)CC2 96199873 UVUUECVHGPKQPM-AWEZNQCLSA-N 352.460 0.693 0 40 FCAB COc1cc(N2CC[C@]3(CCC[C@@H](CNS(C)(=O)=O)O3)C2)ncn1 96208039 QZFYKZYNMQWQPD-SWLSCSKDSA-N 356.448 0.552 0 40 FCAB Cc1ncsc1C(=O)N1CC[C@@H]2OCCN(S(C)(=O)=O)[C@@H]2CC1 96249461 WUEHOTRJNIBDAX-NEPJUHHUSA-N 359.473 0.717 0 40 FCAB COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1C(=O)CCC1=O 225298086 BIKVMLYBZFXWNC-LLVKDONJSA-N 368.411 0.806 0 40 FCAB COc1cccc(O[C@@H]2C[C@@H](NC(C)=O)[C@H](N3CCOCC3)[C@H]2O)c1 257213893 CJOIONIIHCULRG-BDXSIMOUSA-N 350.415 0.413 0 40 FCAB CC(C)C(=O)N1CC2(CN(C(=O)c3ccccc3)C[C@@H]3C[C@@H](O)CN32)C1 514289307 LEQWRXCQLXSEPC-DLBZAZTESA-N 357.454 0.815 0 40 FCAB biogenic,in-vitro COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(C2)CN(C(C)=O)C3)c1 514289818 OZPVSRMOWUQYPS-ZWKOTPCHSA-N 373.453 0.325 0 40 FCAB biogenic,in-vitro CC(=O)N[C@@]1(c2nc(C)cs2)CCN(CC(=O)N2CCNC2=O)C1 548009201 ZWDVZJHKMKWNKB-HNNXBMFYSA-N 351.432 0.040 0 40 FCAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)O)nc1 653299734 CCEPOBTUSFDRMG-LBPRGKRZSA-N 355.416 0.714 0 40 FCAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)CC)C[C@H]4C3)ncnc21 2086988592 QSRYAVJKZMZSDM-TXEJJXNPSA-N 350.448 0.564 0 40 FCAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1OC 9827346 AMZJGXGCMXWZBN-UHFFFAOYSA-N 364.427 0.861 0 40 FCAB C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCO2 10993496 YKEVUIUXRGYAQG-VHSXEESVSA-N 355.368 0.720 0 40 FCAB O=C(NCCNC(=O)c1nc(-c2ccccc2F)no1)c1cnccn1 15082650 JWVASSKKMJZIAZ-UHFFFAOYSA-N 356.317 0.826 0 40 FCAB O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1CN(c2ncccn2)CCO1 19747259 BLDPXZSNGHHHSA-QGZVFWFLSA-N 370.409 0.812 0 40 FCAB CCN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)CC1 20245315 SSQBRGFZPLCSCC-UHFFFAOYSA-N 372.466 0.603 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nccnc3N)CC2)cc1 32860447 XRXYBZBITHKRRC-UHFFFAOYSA-N 361.427 0.514 0 40 FCAB CC(C)C[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)N(C)C 40135571 BTRCEOWDRGYEBU-ZDUSSCGKSA-N 356.448 0.958 0 40 FCAB COC(=O)c1sccc1S(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1 42384435 JHHTYHLPKRJNAL-QMMMGPOBSA-N 353.443 0.248 0 40 FCAB O=C(Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN12)NCC1CC1 72348105 YHNNQYIFNNJUMX-UHFFFAOYSA-N 372.816 0.794 0 40 FCAB NC(=O)[C@@H]1CC(C(=O)N2CCOC[C@H]2C2CC2)=NN1c1ccc(F)cc1 89975399 FOJVVQULRQBHIO-HOTGVXAUSA-N 360.389 0.883 0 40 FCAB CN1C(=O)[C@H](NC(=O)C(=O)NCCc2ccc(O)cc2)c2ccccc21 101662531 XNTJFIPIDLZZCF-MRXNPFEDSA-N 353.378 0.885 0 40 FCAB CCN1C(=O)COc2ccc(S(=O)(=O)NCc3ccn(C)n3)cc21 227162177 KAZVTXYITAXUHH-UHFFFAOYSA-N 350.400 0.644 0 40 FCAB Cc1ncncc1C(=O)N1C[C@@H](O)[C@H](Oc2ccc(CC(=O)O)cc2)C1 257342337 ZOELTIJLFIUIGL-HZPDHXFCSA-N 357.366 0.676 0 40 FCAB CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cccc2c1OCCO2 268415069 VGLCDJAFZHGHEL-YPMHNXCESA-N 354.428 0.906 0 40 FCAB C[C@@H](Oc1ccc2c(c1)CCCNC2=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 270893662 HWOSPUVTWKMJDQ-DGCLKSJQSA-N 366.439 0.433 0 40 FCAB CC(C)c1ncc(S(=O)(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)[nH]1 583623945 YOQVOSAZVJHDOS-STQMWFEESA-N 353.448 0.663 0 40 FCAB CCN1Cc2ccccc2CC2(CCN(C(=O)Cn3cnnn3)CC2)C1=O 1565543296 GYXJUAFXNFAZHW-UHFFFAOYSA-N 368.441 0.887 0 40 FCAB Cc1ncc2c(n1)[C@@H]1CN(C(=O)c3ncn(C)n3)C[C@H]1N(CC1CC1)C2 1565555168 VAHIETIKUQBSMC-HUUCEWRRSA-N 353.430 0.747 0 40 FCAB Cc1cc(NC(=O)C(=O)NCC2(N3CCOCC3)CCSCC2)no1 1775974761 ORARXBRPSDLRGF-UHFFFAOYSA-N 368.459 0.636 0 40 FCAB CN(CC1CN(c2nc3ccccc3c(=O)n2C)C1)S(=O)(=O)C1CC1 1888875595 NFQKKHVELOGCHP-UHFFFAOYSA-N 362.455 0.794 0 40 FCAB Cc1ncnc(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)c1C 2055713830 PLOCYTFUZPHVMV-UHFFFAOYSA-N 352.402 0.628 0 40 FCAB Cc1nnc2ccc(N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)nn12 2298049613 QYRKCRYMDLCGGD-UHFFFAOYSA-N 355.402 0.828 0 40 FCAB Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1C 4947730 MAXDCEVTRYGVEV-SNVBAGLBSA-N 370.456 0.779 0 40 FCAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)C2CC2)CC1 9570119 CYSVQWOJBGLUTQ-UHFFFAOYSA-N 367.471 0.673 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(NCC(=O)N2CCNC2=O)cc1 12633440 WRECEYNNUAPNSC-UHFFFAOYSA-N 354.432 0.681 0 40 FCAB NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1 15935381 DXOQUZBUZMDMHX-UHFFFAOYSA-N 373.500 0.583 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16021900 VTKFJXWTHNXJPM-YGTYGHESSA-N 355.394 0.560 0 40 FCAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCOC)c1 32937298 FLXYGSDSGNYFAJ-UHFFFAOYSA-N 371.459 0.808 0 40 FCAB O=C1CN(C(=O)CCCC(=O)Nc2nnc([C@H]3CCCO3)s2)CCN1 40287754 KIGBSQTZVMCDRA-SNVBAGLBSA-N 367.431 0.457 0 40 FCAB Cc1noc(C)c1CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 48355162 MMDKGCKSMPTWIJ-UHFFFAOYSA-N 362.411 0.989 0 40 FCAB C[C@@]1(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)CCS(=O)(=O)C1 53273709 BTHUDEADBMDNCZ-OAHLLOKOSA-N 372.468 0.534 0 40 FCAB COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc(N2CCOCC2)cc1 58384790 HDZCUFAGGTZOMO-LBPRGKRZSA-N 350.371 0.358 0 40 FCAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(CC(N)=O)CC1 78375878 UUCPTJMJXBUJOD-LLVKDONJSA-N 369.263 0.879 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)C1CCOCC1)C2 96050410 VXCUGINURUNSMM-GOSISDBHSA-N 361.446 0.096 0 40 FCAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(CCO)CC3)C2=O)cc1 100050727 GXWWJXGPEAJJME-QGZVFWFLSA-N 361.442 0.717 0 40 FCAB O=C(Nc1ccc(F)cc1)N[C@H]1CCN(CC(=O)N2CCOCC2)C1 101921420 VLGOURPDJTUVMF-HNNXBMFYSA-N 350.394 0.880 0 40 FCAB CC[C@H](C)C(=O)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 142492210 NHVGUAJCULYBFP-WLMXIRCBSA-N 356.371 0.168 0 40 FCAB biogenic,in-vitro COC(=O)c1cc(NC(=O)C(C)(C)CNS(C)(=O)=O)cnc1OC 225959350 YAFHJLMPXICGGZ-UHFFFAOYSA-N 359.404 0.391 0 40 FCAB Cc1cc(C(=O)N2Cc3cncn3[C@H](CNS(C)(=O)=O)C2)c(C)o1 247489207 AXXPNGOWOQQIQC-CYBMUJFWSA-N 352.416 0.839 0 40 FCAB C[C@H](C(=O)NCCN1CCOCC1)n1cc(COc2ccccc2)nn1 257173562 QTKZNCLXWBNWFL-OAHLLOKOSA-N 359.430 0.867 0 40 FCAB CNc1cccc([C@@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)n1 257203429 AQACDKDRSGEXRA-HNNXBMFYSA-N 354.476 0.921 0 40 FCAB C[C@H]1CN(CC(F)(F)F)CCN(C(=O)CCN2CCCS2(=O)=O)C1 333958330 IXKHAZMODBJMPK-LBPRGKRZSA-N 371.425 0.755 0 40 FCAB O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390830883 OBMQQEQBOJVYGO-CYBMUJFWSA-N 366.381 0.791 0 40 FCAB CN(C)S(=O)(=O)CCNC(=O)CC1(Cn2cnnn2)CCCCC1 524735699 RZPSQNMTKAAFMB-UHFFFAOYSA-N 358.468 0.021 0 40 FCAB Cn1ccnc1C(Nc1cc(N2CCOCC2)ncn1)c1nccn1C 528134710 ZOJRDVYJEHONAP-UHFFFAOYSA-N 354.418 0.982 0 40 FCAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(S(=O)(=O)c1cccnc1)C2 575405760 ZXHKHJOFIMCBFF-GFCCVEGCSA-N 371.484 0.435 0 40 FCAB O=S(=O)(c1cccnc1)N1Cc2ccnn2[C@@H](COc2ncccn2)C1 575406645 QCICTVNFGBFXFB-CQSZACIVSA-N 372.410 0.893 0 40 FCAB CC(C)N(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)O1 1565548315 BKBDQTDRSKGPMC-PBHICJAKSA-N 351.451 0.546 0 40 FCAB O=C(C[C@H]1NC(=O)c2ccccc21)NC1CCC2(CC1)NC(=O)NC2=O 1636158064 XQBLBTNOMFAHFX-RMHQAKAESA-N 356.382 0.498 0 40 FCAB Cc1cc2c(N3C[C@@H]4CN(c5cc(=O)n(C)c(O)n5)C[C@@H]4C3)nccn2n1 1888875717 KXUZSZSFOVIPKD-BETUJISGSA-N 367.413 0.410 0 40 FCAB Cc1nc(N2CCN(c3ncnc4[nH]cnc34)CC2)cc(-n2cccn2)n1 1889224915 BBDMDZVGFBKRQX-UHFFFAOYSA-N 362.401 0.964 0 40 FCAB Cn1cnc(C(=O)N2CCO[C@]3(COCC(=O)N(c4ccccc4)C3)C2)c1 2037984809 OKIQDGHGWCWZKA-LJQANCHMSA-N 370.409 0.695 0 40 FCAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NC(N)=O)C1=O 3301255 QOUIUFDAXBQKBI-ZDUSSCGKSA-N 359.169 0.955 0 40 FCAB O=C(NC[C@H]1CCCO1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 5339662 MVBKGFJRKFKQPG-CQSZACIVSA-N 367.427 0.460 0 40 FCAB O=C(COC(=O)c1cc2ccccc2oc1=O)N[C@H]1CCS(=O)(=O)C1 5738686 SYFXXTDRQDAYCT-NSHDSACASA-N 365.363 0.253 0 40 FCAB C[C@H]1Oc2ccc(S(=O)(=O)NCCOC[C@H]3CCCO3)cc2NC1=O 12187824 GLBJSNYYRWUMTD-VXGBXAGGSA-N 370.427 0.880 0 40 FCAB COc1cc(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)ccn1 12527362 YNXYCPBEGWHPQD-UHFFFAOYSA-N 354.366 0.800 0 40 FCAB C[C@H](C(=O)N1CCN(C=O)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13648730 PZJXAVUVXNBWCL-GFCCVEGCSA-N 357.407 0.281 0 40 FCAB CCOCC(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134731 ARYJKGOAGKGAMJ-UHFFFAOYSA-N 366.372 0.621 0 40 FCAB COc1cccc(NC(=O)CNC(=O)N2CCN(c3ncccn3)CC2)c1 72400646 UGLFZRJOTRBBPO-UHFFFAOYSA-N 370.413 0.956 0 40 FCAB CC(C)n1nc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 79488619 UIXBANVKNPHTCN-GFCCVEGCSA-N 363.439 0.823 0 40 FCAB CCS(=O)(=O)N1CC[C@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 96225932 FXIOXPLAKWHFLR-INIZCTEOSA-N 366.443 0.611 0 40 FCAB O=C(c1ccccn1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224321049 XORNLGOXXCXYOT-UHFFFAOYSA-N 354.414 0.671 0 40 FCAB Cn1cc(CN2CC3(C2)[C@@H](COc2ccccn2)CCS3(=O)=O)cn1 248121769 KJOJEJGAUHNZSX-OAHLLOKOSA-N 362.455 0.883 0 40 FCAB Cn1cc(N2CC[C@H](NC(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)C2=O)cn1 274527968 QDXKQNXWKGHYLM-KKUMJFAQSA-N 363.462 0.964 0 40 FCAB C[C@@H](C(=O)NCCCN1CCOCC1)N(c1ccccc1)S(C)(=O)=O 408615137 MJOWWZFRCCYGSS-HNNXBMFYSA-N 369.487 0.680 0 40 FCAB O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(C4CCOCC4)C3)N2C1 514290125 UAHJNZLUOTXNJN-RTBURBONSA-N 358.486 0.566 0 40 FCAB biogenic,in-vitro O=C(Nc1ccccn1)c1cc(S(=O)(=O)N2CCC[C@H](O)C2)c[nH]1 521396885 NGCBWXOXCQJWHH-NSHDSACASA-N 350.400 0.807 0 40 FCAB O=C(NCCCn1ccnc1)C1=NO[C@@]2(CCCN(c3ncccn3)C2)C1 585101233 PKMGANKEBHTMNR-SFHVURJKSA-N 369.429 0.995 0 40 FCAB C[C@H]1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(CO)[C@H](O)CCC(C)(C)[C@H]1C[C@H]3O 4268202 LIVDSGBMAPJLQG-YAWWCVFPSA-N 368.470 0.090 0 40 FCAB CCOC(=O)[C@H](NC(=O)Cc1ccccc1)[C@H]1N[C@H](C(=O)O)CS1 5540054 HZEUEERGLIUFQT-YUTCNCBUSA-N 352.412 0.393 0 40 FCAB CCC(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 6011114 NQQSZGZVAIWRDF-GFCCVEGCSA-N 370.427 0.988 0 40 FCAB NC(=O)c1cc(NC(=O)COc2ccc3c(c2)OCO3)cc(C(N)=O)c1 6788227 CWWUXQUGZLBXNA-UHFFFAOYSA-N 357.322 0.631 0 40 FCAB CC(C)Cn1c(N)c(-c2csc(N3CCOCC3)n2)c(=O)n(C)c1=O 8876401 YWNZAYRKXOPXNF-UHFFFAOYSA-N 365.459 0.745 0 40 FCAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC(=O)NC(C)(C)C)C2=O 12614934 APJPBHFLAZDYOA-DIFFPNOSSA-N 352.435 0.518 0 40 FCAB NS(=O)(=O)c1cccc(NC(=O)CN2C(=O)COc3ccccc32)c1 13062786 DVCIGUJBRSAWKD-UHFFFAOYSA-N 361.379 0.698 0 40 FCAB O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCCC1 14184281 LCUSXVQJOUSGJC-UHFFFAOYSA-N 351.472 0.756 0 40 FCAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 15805425 URJZLRMMKWFFLW-JQWIXIFHSA-N 373.500 0.849 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]c3=O)CC2)cc1 17051183 NCIMCJRMVGOQDT-UHFFFAOYSA-N 361.423 0.830 0 40 FCAB CC(=O)Nc1ccc(NC(=O)C[C@H]2SC[C@@H](C(=O)O)NC2=O)cc1 20635068 MXPWKHQZGCZBLP-NWDGAFQWSA-N 351.384 0.658 0 40 FCAB O=S1(=O)CC[C@@H](N2CCN(Cn3nc4ccccn4c3=S)CC2)C1 22847190 ABUCMSPVLJENKS-CYBMUJFWSA-N 367.500 0.627 0 40 FCAB Cn1c(=O)c2c(ncn2C[C@H](O)COCc2ccccc2F)n(C)c1=O 23674297 VXTLSPJSMNUNOP-LBPRGKRZSA-N 362.361 0.151 0 40 FCAB CCOC(=O)C1=C(CSc2nnnn2C[C@H]2CCCO2)NC(=O)NC1 30346989 MGCKEFKSZMEQPT-SECBINFHSA-N 368.419 0.074 0 40 FCAB C[C@@H](OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCCCC1 32928485 WEYNPUGDNBBDCX-LLVKDONJSA-N 372.447 0.079 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)C2CCN(C(=O)C3CC3)CC2)CC1 40062172 IDBKMYQSNNCQQK-UHFFFAOYSA-N 357.476 0.175 0 40 FCAB Cn1cc(-c2nc(C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cs2)cn1 40154311 IBICWPPSJLVQKG-LLVKDONJSA-N 369.472 0.697 0 40 FCAB CN(C1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1)S(C)(=O)=O 58023614 JBWUDKTZSVMVJM-UHFFFAOYSA-N 369.443 0.981 0 40 FCAB CN(C)C(=O)Cn1cc(C(=O)NCCc2nc3c(s2)CCCC3)nn1 89312020 YVSYIFRPBQRODP-UHFFFAOYSA-N 362.459 0.674 0 40 FCAB Cc1cc(CNC(=O)COc2ccc(-n3cccn3)nn2)nc(N(C)C)n1 96121329 WYXXFRMVRIYAIZ-UHFFFAOYSA-N 368.401 0.522 0 40 FCAB COc1nc(N2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)O)C2)ncc1F 96132298 UGCVYZADEIMZHA-QFYYESIMSA-N 350.350 0.384 0 40 FCAB O=C(CN1C(=O)CCC1=O)NCCn1ccn2nc(-c3ccco3)cc12 206749505 GEYFMVJQMWPJEW-UHFFFAOYSA-N 355.354 0.661 0 40 FCAB C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)S(=O)(=O)c1ncnn1C 274261615 YLULLUGHFXDUAW-JQWIXIFHSA-N 350.400 0.617 0 40 FCAB CN1CCC[C@@H](NC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)C1=O 527972136 NIFVVUYYOXJEAW-WCQYABFASA-N 351.428 0.478 0 40 FCAB CN1CCC[C@@H](NC(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)C1=O 528014353 ZNJJJRBMAQBHOF-OLZOCXBDSA-N 355.435 0.322 0 40 FCAB NC(=O)N1CCN2C(=O)N(Cc3cccnc3C(F)(F)F)C(=O)[C@@H]2C1 530106422 MUWHWHVWLPDNGX-VIFPVBQESA-N 357.292 0.628 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1 566656295 PPPZPWGGEXTNSW-UKRRQHHQSA-N 356.444 0.189 0 40 FCAB COc1ccc(CN2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)cc1 585112804 VNYJLNROUQTQBZ-HNNXBMFYSA-N 350.444 0.998 0 40 FCAB Cc1cccc(OC[C@@]2(O)CCCN(CC(=O)Nc3ccn(C)n3)C2)c1 585276044 ITIIZUPAYDUQSP-LJQANCHMSA-N 358.442 1.573 0 40 FCAB CCOC(=O)N1CCC(O)(CN2C[C@@H]3CCCN3C[C@@H]2CCO)CC1 585282208 BQVTWOFMYINNMP-HOTGVXAUSA-N 355.479 0.501 0 40 FCAB Cc1ncc2c(n1)[C@H]1CN(C(=O)c3ncn(C)n3)C[C@@H]1N(CC1CC1)C2 1565555167 VAHIETIKUQBSMC-GJZGRUSLSA-N 353.430 0.747 0 40 FCAB Cn1cnc(C(=O)N2CC[C@]3(CCN3S(=O)(=O)c3cccs3)C2)n1 1614940181 GSYZXXSLKZRQAB-AWEZNQCLSA-N 367.456 0.556 0 40 FCAB Cn1ccnc1C(=O)N1CCO[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037984663 JCHBNEWARVAJLI-IBGZPJMESA-N 370.409 0.695 0 40 FCAB COCCC(=O)N1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055772077 UWQHYHVUMXFQLE-AWEZNQCLSA-N 362.352 0.916 0 40 FCAB C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H](C)O1 3203291 PMZPUCJTUXMJOF-ZIAGYGMSSA-N 368.455 0.957 0 40 FCAB CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)CCSC)CC1)C(=O)O 4082648 OJIRHANHUPWVSD-XBFCOCLRSA-N 373.519 0.921 0 40 FCAB biogenic Cn1cc(S(=O)(=O)Nc2ccc(Br)cc2)c(=O)n(C)c1=O 5055860 CFCRVJIUPDAQDS-UHFFFAOYSA-N 374.216 0.647 0 40 FCAB O=C(O)CCC(=O)NN1C(O)=c2ccccc2=N[C@@H]1c1ccc(F)cc1 8767842 AHASKJJXFLBLBE-KRWDZBQOSA-N 357.341 0.979 0 40 FCAB Cn1c(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc(=O)n(C)c1=O 11232089 ZLOHTKQRJUSQDS-UHFFFAOYSA-N 366.303 0.805 0 40 FCAB O=C(CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)N1CCCC1 12142378 PWHFEDKAPPEEQR-UHFFFAOYSA-N 364.471 0.805 0 40 FCAB COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 16944883 ZEWCZPUORYMIRJ-UHFFFAOYSA-N 369.399 0.067 0 40 FCAB COc1cccc(C(=O)N2CCCN(C(=O)c3ccc(=O)n(C)n3)CC2)c1 55699687 SPMHZWVBUSXBKB-UHFFFAOYSA-N 370.409 0.777 0 40 FCAB C[C@@H](Cc1ccccc1Cl)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 56064204 BCTMFSYVUFQLDZ-JTQLQIEISA-N 371.846 0.647 0 40 FCAB CC[C@@H](C)NC(=O)CCNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 58195164 RSHOGDLRWWRFOT-IUODEOHRSA-N 359.430 0.528 0 40 FCAB CN1C[C@H](C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)CC1=O 72326878 ONPSJKQHKHGLRJ-XBEYBXDOSA-N 368.437 0.885 0 40 FCAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]12 96083172 KHHCJQHSJINXST-OAGGEKHMSA-N 354.447 0.287 0 40 FCAB Cn1cc(S(=O)(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cn1 96120571 GSDGOXDPXVLSFZ-UHFFFAOYSA-N 352.416 0.844 0 40 FCAB CC(C)CCN1C[C@@]23CN(Cc4cnn(C)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146063 SNIKRFTUQBSQNM-IKGGRYGDSA-N 368.503 0.824 0 40 FCAB O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1C1CC1 102615996 XUWZANWXADAUSL-OAHLLOKOSA-N 357.410 0.823 0 40 FCAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCn1nnc2ccccc2c1=O 102768625 OXRZGABAKIHLKZ-TXEJJXNPSA-N 368.349 0.243 0 40 FCAB CCOC(=O)[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC 218143404 JIVZNEBULDJISC-IJEWVQPXSA-N 355.412 0.824 0 40 FCAB Cc1cn([C@@H]2CN(C(=O)c3ccc4c(c3)ncn4C)C[C@H]2O)c(O)nc1=O 257263353 LPMGVGNDWBZZCO-HUUCEWRRSA-N 369.381 0.202 0 40 FCAB C[C@]1(C(N)=O)CN(C(=O)c2cccn(Cc3ccccc3F)c2=O)CCO1 257304978 SNYFIZKNXRFJOO-LJQANCHMSA-N 373.384 0.752 0 40 FCAB Cc1cc(CN2Cc3cncn3[C@@H](C(=O)N3CC(F)(F)C3)C2)n(C)n1 306140425 UTJCJJLFMDKJML-CQSZACIVSA-N 350.373 0.959 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)Cc3cccc(F)c3)C[C@@H]21 585110129 MUOIIHFUVSTWJN-UKRRQHHQSA-N 372.400 0.752 0 40 FCAB O=C(CN1CCCC[C@@H](O)C1=O)NCc1ccccc1Cn1cccn1 644287150 XHUOFXKXJCBJFW-QGZVFWFLSA-N 356.426 0.921 0 40 FCAB COc1cccc(C(=O)N2CCO[C@H](CN(CC(=O)O)C(C)=O)C2)c1 681942525 LYBWALFGNDQTQW-HNNXBMFYSA-N 350.371 0.469 0 40 FCAB O=C(NCc1cccs1)C(=O)NCC1(OCCO)CCSCC1 828765504 YPWFVLFXGGBMIT-UHFFFAOYSA-N 358.485 0.755 0 40 FCAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CCO2)C1=O 1565548855 KZEITCAXUFLSGH-QOSLBHJFSA-N 356.422 0.732 0 40 FCAB O=C(Cn1ccccc1=O)N1C[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 1565551380 PQLFVJMPBYDBJR-LSDHHAIUSA-N 355.398 0.002 0 40 FCAB CC(C)NC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)CC1(O)CCC1)OC2 2055759400 UWMXFQHDTPDUOW-NSHDSACASA-N 350.419 0.411 0 40 FCAB Cc1cnc(CNC(=O)C[C@@H]2COC[C@H]3CN(C(=O)C4CC4)C[C@@H]23)cn1 2055771840 DQEOPOSBUJCUQW-INMHGKMJSA-N 358.442 0.922 0 40 FCAB COC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@@]12C(=O)N(C)c1ccccc12 989178 IHCPYUCXUNATJT-SFHVURJKSA-N 358.350 0.721 0 40 FCAB C[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1ccccc1 5918319 BQDVEYLBDMFYPY-CYBMUJFWSA-N 363.439 0.976 0 40 FCAB CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)CC1 6645460 LAQBVXSPDDEIAL-HPTBWKMGSA-N 350.371 0.474 0 40 FCAB COc1cc2ncn3c(=O)n(CC(=O)NC(C)(C)C)nc3c2cc1OC 12181246 QOKSBDLXXGBUKM-UHFFFAOYSA-N 359.386 0.976 0 40 FCAB CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@@H](C)COC)c3=O)cc1 12234056 UFDYXLFBMGJRBL-LBPRGKRZSA-N 373.413 0.953 0 40 FCAB CCCCN1C(=O)NC(=O)/C(=C(/CC)NCCN2CCOCC2)C1=O 19372575 KJYYACXPKWCNSE-BUHFOSPRSA-N 352.435 0.451 0 40 FCAB Cn1cc2c(n1)[C@@H](C(=O)N1CCOCC1)CN(C(=O)c1ccncc1)C2 19696331 MTLFKNWQCZAEPN-HNNXBMFYSA-N 355.398 0.414 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1cccc(F)c1 20567931 LHACWMXOGBLGOJ-UHFFFAOYSA-N 373.450 0.430 0 40 FCAB COc1cc2nc(CN3CCN(C(=O)C4CC4)CC3)[nH]c(=O)c2cc1OC 23653163 AZYHNBCZYSFUIC-UHFFFAOYSA-N 372.425 0.995 0 40 FCAB CN(CC(=O)NCc1ccco1)C(=O)CNC(=O)COc1ccccc1 25377759 LCCCZDXALQRZCZ-UHFFFAOYSA-N 359.382 0.549 0 40 FCAB CS(=O)(=O)N[C@H]1CCCN(CCCc2nnnn2-c2ccccc2)C1 48310047 JLPSAKVDPSPPSY-AWEZNQCLSA-N 364.475 0.609 0 40 FCAB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1cnn(C)c1 225712726 NLXBMSDKSUEVLB-INIZCTEOSA-N 351.428 0.931 0 40 FCAB CNC(=O)Cc1csc(NC(=O)[C@@H]2CCc3nn(C)c(=O)cc3C2)n1 238925296 UOVADFGAMUZNFP-SECBINFHSA-N 361.427 0.269 0 40 FCAB CN[C@@H]1CO[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]2C[C@@]1(C)O 257316194 VEOCJZABRQUSBG-BVIKNXMNSA-N 350.463 0.640 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cnc(-c3nccn3C)cn2)CC1 257325850 WUSGAYBLVUXDDT-UHFFFAOYSA-N 364.475 0.938 0 40 FCAB O=C(NC[C@@H]1CN(C2CCOCC2)Cc2ccnn2C1)c1ccnnc1 306133166 MDWFNZADMSLOAU-CQSZACIVSA-N 356.430 0.714 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCCN([C@@H](C(=O)O)C2CC2)CC1 567241630 BYLKEYSVSZFXBA-CYBMUJFWSA-N 357.432 0.851 0 40 FCAB Cc1ccc(OCc2nnc3n2CCN(C(=O)CN(C)C)[C@@H](C)C3)cn1 585098242 SMEBLADLDYFJCL-AWEZNQCLSA-N 358.446 0.895 0 40 FCAB Cc1cc(N(C)C2CN(c3ccc4nnc(C)n4n3)C2)n2ncnc2n1 585608395 XQNSMLRVGALBQE-UHFFFAOYSA-N 350.390 0.504 0 40 FCAB COC1(C(F)(F)F)CCN(C(=O)CN2CCCC[C@@H](O)C2=O)CC1 644501171 XOMXGGPKFKAYIS-LLVKDONJSA-N 352.353 0.930 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3ccc4c(c3)CCOC4)C2)C1 685941192 AHIYDZDFWJDRBB-OAHLLOKOSA-N 357.410 0.178 0 40 FCAB COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)c1ccncc1OC)CC2 1565552209 PXNCGBGQFONLEW-GFCCVEGCSA-N 373.413 0.580 0 40 FCAB COCCNC(=O)[C@@]12C[C@H]1CCN2S(=O)(=O)c1ccc2c(c1)CCO2 2056224928 HHSGOSWTFCEIDB-CXAGYDPISA-N 366.439 0.537 0 40 FCAB COC(=O)[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCN1S(C)(=O)=O 3842123 DCIMTJYLPWIPHC-CQSZACIVSA-N 369.443 0.012 0 40 FCAB biogenic,in-vitro Nn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nncc1=O 4338149 OWNIQQMQTWYTDZ-UHFFFAOYSA-N 361.305 0.982 0 40 FCAB CCOC(=O)c1c(C(=O)OCC)c(C(=O)OCC)n2c1C(=O)NCC2 5473678 FYXRGKGNXIPVNH-UHFFFAOYSA-N 352.343 0.762 0 40 FCAB Cc1cc(N2CCN(C)CC2)nc(SCC(=O)N2CCOCC2)n1 5541522 VRJFRQWFKQLVPI-UHFFFAOYSA-N 351.476 0.488 0 40 FCAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N3CCNC3=O)ccc12 5991806 DVONXENTMRYPAH-UHFFFAOYSA-N 360.322 0.575 0 40 FCAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)N2CCNC2=O)cc1 6028095 NWBGQZUKHJXTAK-UHFFFAOYSA-N 361.398 0.809 0 40 FCAB COc1ccc(S(=O)(=O)NNc2ccc(S(N)(=O)=O)cc2)cc1 6145798 UJQPBNHLVOXJLE-UHFFFAOYSA-N 357.413 0.648 0 40 FCAB CCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 7289535 FEGIBRXAQWIXDM-INIZCTEOSA-N 358.358 0.779 0 40 FCAB CCCn1c(N)c(C(=O)COC(=O)c2ccc(Cl)nc2)c(=O)[nH]c1=O 9452073 VAFJODFELGZINK-UHFFFAOYSA-N 366.761 0.617 0 40 FCAB OC[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)cc23)[C@H](O)[C@@H](O)[C@@H]1O 15020142 LINMATFDVHBYOS-RKQHYHRCSA-N 374.187 0.109 0 40 FCAB in-vitro COc1ccc(CN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 16354908 MZJSAYSRDLMUHW-CQSZACIVSA-N 352.456 0.963 0 40 FCAB CCOc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1 19533518 BOYGZGSJVFSFHO-OAHLLOKOSA-N 361.442 0.887 0 40 FCAB NC(=O)C1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 21670836 QJOMIHWGCHCUHF-UHFFFAOYSA-N 367.471 0.405 0 40 FCAB CN1CCN(CCCNC(=O)c2ccccc2NS(C)(=O)=O)CC1 22822116 JCNSGRVLONAASI-UHFFFAOYSA-N 354.476 0.425 0 40 FCAB Cc1cccc(OCCNC(=O)COC(=O)CN(C)c2ncccn2)c1 23199413 SAVJPOIIKLBQSA-UHFFFAOYSA-N 358.398 0.960 0 40 FCAB CN(CCC(=O)N1CCN(c2ncccn2)CC1)CC(=O)NC(C)(C)C 26907312 QEIXDSYZPUMOQQ-UHFFFAOYSA-N 362.478 0.362 0 40 FCAB COc1cc(OC)nc(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)n1 32865637 AOFPLKBJKAIKSI-CYBMUJFWSA-N 371.397 0.345 0 40 FCAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@H](NS(C)(=O)=O)C1 48262753 NRMBMAXRCBQEAO-OLZOCXBDSA-N 357.480 0.805 0 40 FCAB CS(=O)(=O)N(Cc1ccc(F)cc1)Cc1ncc(C(=O)O)c(=O)[nH]1 49468513 FMYDWBDXPKGYAX-UHFFFAOYSA-N 355.347 0.569 0 40 FCAB CN1CCN(S(=O)(=O)c2cncc(Cl)c2N2CCNCC2)CC1 72210790 GNAADYNAHVDGJE-UHFFFAOYSA-N 359.883 0.081 0 40 FCAB CC(=O)N1C[C@@H](C(=O)O)CN2CCN(C(=O)Cc3ccccc3)C[C@@H]2C1 96184946 QRBCAJKOJOAGHB-DLBZAZTESA-N 359.426 0.305 0 40 FCAB COC(=O)c1cc(S(=O)(=O)NNc2cc(Cl)nc(N)n2)ccc1O 97165054 AQCPRUMVLADJNY-UHFFFAOYSA-N 373.778 0.510 0 40 FCAB C[C@H]1CN(c2ccc(NC(=O)C(=O)N[C@H](C)CO)cc2F)C[C@@H](C)O1 106092711 RPHRDPJVKNUWJZ-UTUOFQBUSA-N 353.394 0.875 0 40 FCAB O=C(N[C@@H]1CCc2ncnn2C1)[C@@H](c1cccc(F)c1)N1CCOCC1 173693979 YDWGGECQRIHEQP-NVXWUHKLSA-N 359.405 0.922 0 40 FCAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(S(=O)(=O)N(C)C)C3)n1 247966888 SMZCVVPVJONOGA-AWEZNQCLSA-N 370.475 0.841 0 40 FCAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 248205626 AWHPEGKWPUMIRZ-HEGJUYRPSA-N 370.409 0.081 0 40 FCAB Cc1nc(O)cc([C@@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257281455 OPGCAHXEESBYGT-INIZCTEOSA-N 357.414 0.918 0 40 FCAB CNc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@H]1O 257288374 PTYWMKAMMOHPDG-DMWPJOQESA-N 364.406 0.428 0 40 FCAB NC(=O)N1CCC([C@H]2C(=O)Nc3ccc(C(=O)N4CCOCC4)cc32)CC1 306127904 GKKPGKNMSODIJN-MRXNPFEDSA-N 372.425 0.985 0 40 FCAB CN1CCN(CC(=O)N(C)C2CCN(CCc3ccccn3)CC2)CC1=O 329704321 ITUPDDNMFPTXOU-UHFFFAOYSA-N 373.501 0.321 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](NC(C)=O)C2)cc1C(=O)O 392268346 ZFJLXDCCYQASFM-LLVKDONJSA-N 356.400 0.683 0 40 FCAB CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 566496085 OQRACJBDUJHCFG-WFASDCNBSA-N 365.455 0.037 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 585108637 PEVXAIOYCRHSHZ-VYDXJSESSA-N 368.455 0.791 0 40 FCAB CCCN1C[C@@H]2Oc3ccccc3S(=O)(=O)NC[C@H](O)CN(C)[C@@H]2C1 1534613201 QHMMEEPKHWUMPU-LZWOXQAQSA-N 369.487 0.113 0 40 FCAB O=C(Cc1ccc(F)cn1)N1CC[C@H]2[C@H]1CCN2S(=O)(=O)C1CC1 1565544606 NVPIKMJMOSQSGC-CABCVRRESA-N 353.419 0.931 0 40 FCAB O=C(CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccsc2)CC1)N1CCOCC1 1616043258 VMGNEPKFCNGUPI-CVEARBPZSA-N 363.483 0.855 0 40 FCAB CN1CCN(C(=O)c2ncn3c2CC[C@@H](C(=O)NC2CCCC2)C3)CC1 2055715669 BTEPPDDGQWHZEI-CQSZACIVSA-N 359.474 0.892 0 40 FCAB COCCN(CCOC)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O 4469435 GWPYXAIDICEQRK-UHFFFAOYSA-N 355.435 0.753 0 40 FCAB OC[C@@H](O)[C@@H](O)[C@@H](O)c1nn(-c2ccccc2)c2nc3ccccc3nc12 5496157 LABBLXXRSWREEJ-OLMNPRSZSA-N 366.377 0.716 0 40 FCAB O=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1F 6817819 UETNOVVLYPHUKZ-UHFFFAOYSA-N 372.403 0.950 0 40 FCAB CCOC(=O)CN1C(=S)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]21 8990542 HKGBSDBFJWQREB-STQMWFEESA-N 354.453 0.822 0 40 FCAB CN1[C@@H](C(=O)NCc2ccccn2)C[C@@H](c2ccco2)NS1(=O)=O 12117605 QNNPSKBUSQZWQG-QWHCGFSZSA-N 350.400 0.571 0 40 FCAB C[C@H]1CCc2ccccc2N1CC(=O)N1CCN(S(C)(=O)=O)CC1 12543960 JSJPEAQFIWDAIN-AWEZNQCLSA-N 351.472 0.932 0 40 FCAB COc1ccc(C(=O)NC(=O)CN2CCN(c3ncccn3)CC2)cc1 12852183 DWDYYSOAUDUZMN-UHFFFAOYSA-N 355.398 0.564 0 40 FCAB CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(OC)c2)NC(=O)NC1 12870007 DVPPRPAVTYPIPR-UHFFFAOYSA-N 364.354 0.991 0 40 FCAB COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 14138082 IOKMBFLKLJTKMI-UHFFFAOYSA-N 362.411 0.774 0 40 FCAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1nnn(-c2ccccc2)c1=O 16362410 SYSVYUDZIQFIRM-GXTWGEPZSA-N 358.402 0.834 0 40 FCAB COc1ccccc1N1C(=O)C[C@H](SC[C@@H](NC(C)=O)C(=O)O)C1=O 16899797 TTWJCUDIYITGDK-MFKMUULPSA-N 366.395 0.650 0 40 FCAB CONC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 23041205 WHTLIKNJQUBZRD-UHFFFAOYSA-N 358.416 0.974 0 40 FCAB Cn1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c2ccccc21 32883843 APSHVRDXONPHCL-UHFFFAOYSA-N 370.453 0.795 0 40 FCAB Cn1ccnc1[C@@H](NS(=O)(=O)N1CCOCC1)c1cccc(F)c1 32900064 ZPEZJGCYDIYEOX-AWEZNQCLSA-N 354.407 0.815 0 40 FCAB O=C([C@@H]1CCCN1c1ccc2nnc(C(F)(F)F)n2n1)N1CCOCC1 40083145 UKTTXUWCICZWIV-JTQLQIEISA-N 370.335 0.971 0 40 FCAB CC[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(S(=O)(=O)N(C)C)o1 40127572 PLESOJRBOVLZSB-SNVBAGLBSA-N 366.461 0.359 0 40 FCAB CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 45164772 ZCAAPWJLWSEOKB-UHFFFAOYSA-N 357.451 0.904 0 40 FCAB CN(C)S(=O)(=O)c1ccc(CCc2ncc(C(=O)O)c(=O)[nH]2)cc1 49468547 NNXSTXGDDVYBIR-UHFFFAOYSA-N 351.384 0.504 0 40 FCAB COC(=O)CNC(=O)c1cccc(NC(=O)CCNC(=O)[C@H]2C[C@H]2C)c1 53354950 AZJMQISYALVXPI-RISCZKNCSA-N 361.398 0.690 0 40 FCAB CN1CCN(C[C@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)O)CC1 61721461 GSFNDNOFPOLJHT-ZDUSSCGKSA-N 363.414 0.735 0 40 FCAB Cc1cc(N2CCC[C@H](NS(=O)(=O)c3c(C)noc3C)C2=O)n(C)n1 97010018 NFVHYIHVHXOPAR-LBPRGKRZSA-N 367.431 0.807 0 40 FCAB O=C(CN1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCCCC1 121819938 XUZCEEFJVAUMLD-UHFFFAOYSA-N 374.489 0.448 0 40 FCAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 229785106 SMCSYGSHRDGSMS-XTDOFWJNSA-N 371.345 0.952 0 40 FCAB COc1nccn2c(CNC(=O)Cn3cnc4ccccc4c3=O)nnc12 253470994 AKSTVOYAKVNUPN-UHFFFAOYSA-N 365.353 0.159 0 40 FCAB COc1ccc2nnc(CNC(=O)c3cc4cccnc4nc3O)n2n1 253537717 PKAYSTKXRHPFMC-UHFFFAOYSA-N 351.326 0.712 0 40 FCAB CC(C)c1noc(CCC(=O)N2CC[C@](O)(CN3CCOCC3)C2)n1 257217642 CZXKXKXYMRKHKF-KRWDZBQOSA-N 352.435 0.421 0 40 FCAB CC(=O)NCCNC(=O)c1ccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)cc1 257218097 DBWUVBUNYPPFEA-ZOBUZTSGSA-N 360.414 0.659 0 40 FCAB O=C(NCCN1CCS(=O)(=O)CC1)c1cnccc1C(F)(F)F 517390611 GXFZJXGHXBNQES-UHFFFAOYSA-N 351.350 0.561 0 40 FCAB O=C(O)CNC(=O)Cn1cnc2c(c1=O)CCN(Cc1ccccc1)C2 566105478 RSRAKBAOHPZOII-UHFFFAOYSA-N 356.382 0.002 0 40 FCAB CN(C)c1nc(CNC(=O)Cc2ccc(F)cc2)nc(N2CCOCC2)n1 575607468 UIUYZSCYKPCKRU-UHFFFAOYSA-N 374.420 0.772 0 40 FCAB O=C(CN1C(=O)c2ccccc2C1=O)NCCn1nc2c(cc1=O)CCC2 575619117 GVLOIIBYPYKDBW-UHFFFAOYSA-N 366.377 0.144 0 40 FCAB CC(C)Oc1ccc(NC(=O)N2CCC[C@@](O)(CC(=O)N(C)C)C2)nn1 585088690 IHVIEFLFBVPFHY-QGZVFWFLSA-N 365.434 1.101 0 40 FCAB C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1nnc2n1CCCCC2 642616551 MNRRQJAVGMKULT-NWDGAFQWSA-N 356.448 0.462 0 40 FCAB C=CC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1262556072 WNIPAWGNVQFCOT-UHFFFAOYSA-N 372.468 0.417 0 40 FCAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)[C@@H]4C[C@@H]4C)C[C@@H]23)n1 1549162931 WZCQTPYPCWGYQF-IACUBPJLSA-N 357.414 0.663 0 40 FCAB CCN1C[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)OCC1=O 1565548328 ARGSIZQEUYDCFB-KRWDZBQOSA-N 351.378 0.240 0 40 FCAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)CC)C[C@@H]4C3)ncnc21 2086988591 QSRYAVJKZMZSDM-RYUDHWBXSA-N 350.448 0.564 0 40 FCAB CC1(C)S[C@@H]2[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O 2140544 LSQZJLSUYDQPKJ-YAMSLAJTSA-N 365.411 0.024 0 40 FCAB COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 2393280 NNZMGASXUYZYJR-NSHDSACASA-N 361.445 0.750 0 40 FCAB CC(C)OCCCNS(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2 4941056 UNMBBBJILRJQTH-UHFFFAOYSA-N 372.443 0.880 0 40 FCAB CN(C(=O)CSc1nnc(-c2cccnc2)o1)[C@@H]1CCS(=O)(=O)C1 6172681 PTSNOBUVQVHWSF-LLVKDONJSA-N 368.440 0.869 0 40 FCAB COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1CCN(C(C)=O)CC1 7458353 VVRWTRQSUMEHKH-UHFFFAOYSA-N 370.409 0.854 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(C(N)=O)CC1 8393616 BHIHTLBWQQYRQO-UHFFFAOYSA-N 353.444 0.583 0 40 FCAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 11904858 BPTQNTUZHJZNOC-NSHDSACASA-N 374.440 0.020 0 40 FCAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2nc(N)nc(N(C)C)n2)cc1 12688291 UQBQLSVAISTRRI-UHFFFAOYSA-N 364.431 0.543 0 40 FCAB COC(=O)CNC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl 15858357 RSVSRQSXDDKCGU-QMMMGPOBSA-N 374.802 0.555 0 40 FCAB COc1ccc(NC(=O)c2nccnc2N)cc1S(=O)(=O)N(C)C 22383888 KCDUDPLAOLZOGP-UHFFFAOYSA-N 351.388 0.570 0 40 FCAB O=C(Cn1nc(-c2cccs2)oc1=O)NCc1nnc2ccccn12 23003801 FSKUMSRLENTQEE-UHFFFAOYSA-N 356.367 0.924 0 40 FCAB C[C@@]1(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)CCS(=O)(=O)C1 23057523 ABXRPGRDTPOBQE-NVXWUHKLSA-N 370.446 0.892 0 40 FCAB O=C(CCc1ccccc1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 32853744 WDVBINLBMFUZKU-INIZCTEOSA-N 364.467 0.725 0 40 FCAB Cc1n[nH]c(C)c1S(=O)(=O)NCc1ccc(N2CCOCC2)nc1 32885549 AOBFWZWLQZYFKF-UHFFFAOYSA-N 351.432 0.737 0 40 FCAB O=S(=O)(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)c1ccccc1 77264629 QSGABNOIAMDZDF-KURKYZTESA-N 362.451 0.883 0 40 FCAB biogenic,in-vitro O=C(CC1(Cn2cnnn2)CCCCC1)NCCCN1CCOCC1 79481516 PELCOCALXCYAKT-UHFFFAOYSA-N 350.467 0.852 0 40 FCAB COC(=O)c1cccc2c1CCCN2CC(=O)N[C@@H]1CCS(=O)(=O)C1 83897438 ZMJXJVOIWPFATG-GFCCVEGCSA-N 366.439 0.529 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)CCc3ccccc3)C[C@@H]2C1 96108026 YIFMMRCHGKYNBQ-HZPDHXFCSA-N 352.456 0.738 0 40 FCAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)CC 242538942 JIVZNEBULDJISC-SQWLQELKSA-N 355.412 0.824 0 40 FCAB CS(=O)(=O)NC[C@H]1CCC2(CN(C(=O)COc3ccccc3)C2)OC1 247511997 IPMIUPYTKTZJJW-CQSZACIVSA-N 368.455 0.622 0 40 FCAB Cn1cnc(S(=O)(=O)N2CC3(C2)OCC[C@H]3CCN2CCCC2=O)c1 248001704 APESARZQBMABTJ-CYBMUJFWSA-N 368.459 0.212 0 40 FCAB CN(C[C@@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)CCC(=O)O 257225360 FFWOEHYHRZADOG-SFHVURJKSA-N 358.398 0.894 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2nccnc2-c2nccn2C)C1 257280189 OJWMSIBJPSPAEC-LBPRGKRZSA-N 350.448 0.548 0 40 FCAB Cc1cc(C)n(CCCC(=O)N2CC[C@@](O)(CN3CCOCC3)C2)n1 257304103 SKCAMUUPUJIOMC-GOSISDBHSA-N 350.463 0.576 0 40 FCAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)CCN2CCCC2=O)n1 257334631 YGSQGXLJEDAFKA-OAHLLOKOSA-N 359.430 0.789 0 40 FCAB Nc1nc(NC(=O)c2ccccc2)c2ncn([C@@H]3C[C@H](O)[C@@H](CO)O3)c2n1 390828335 QKCMMMLZVJLZRK-TUAOUCFPSA-N 370.369 0.302 0 40 FCAB CCN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Cl)cc1 575425230 RKNACWKVBWJOMH-VXGBXAGGSA-N 353.849 0.509 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CCN(C(=O)c4cnccn4)CC3)CC2)n1 585099866 MWTQGNMCFYCYAD-UHFFFAOYSA-N 369.429 0.764 0 40 FCAB COc1cc(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)on1 585110658 VPWKGVMOBLFRQP-UHFFFAOYSA-N 373.413 0.995 0 40 FCAB CC(C)S(=O)(=O)c1cccc(C(=O)NC2(C(N)=O)CCOCC2)c1 681141082 JURGMASUDKAJBB-UHFFFAOYSA-N 354.428 0.633 0 40 FCAB CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2CC2)CC3)C1=O 1142677399 URYODSJKFWHYTN-QGZVFWFLSA-N 369.487 0.129 0 40 FCAB O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NC1CCOCC1 1549160706 GXSUVMLSXMWXCN-RCCFBDPRSA-N 362.405 0.981 0 40 FCAB C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 1565550929 JXQACDXJNCRBTR-RVZJWNSFSA-N 361.446 0.741 0 40 FCAB C[C@]1(C(=O)N2C[C@H]3[C@H](NC(=O)C(=O)NCC4CC4)[C@H]3C2)C[C@H]2CC[C@H]1C2 1615058184 MCHBYZAZOCIFCW-YAIHRYCPSA-N 359.470 0.912 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)C5CC5)C[C@H]4C3)nn12 1888888428 AFXKEWXIUYGNKW-VXGBXAGGSA-N 362.459 0.547 0 40 FCAB Cc1cnc(N(C)[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1 1889149120 QUOYRAJPQCRSBB-CYBMUJFWSA-N 350.448 0.808 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2cc(C)on2)CC1 2055781531 MFRKPQSAUPVCQP-UHFFFAOYSA-N 361.402 0.574 0 40 FCAB Cc1cncc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4ccon4)C3)C2)n1 2056226191 MPZUFGRCSQXMBN-SJLPKXTDSA-N 373.413 0.449 0 40 FCAB CC1(C)S[C@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)O 1726065 BPLBGHOLXOTWMN-BZPMIXESSA-N 350.396 0.697 0 40 FCAB in-vitro Cc1ccc(C(=O)NC(C)(C)CO)cc1S(=O)(=O)N1CCOCC1 3257151 FKHAABVQKPOUKT-UHFFFAOYSA-N 356.444 0.517 0 40 FCAB COCCCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 8103732 MMVOYULZNYRFCT-UHFFFAOYSA-N 365.249 0.880 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CN2CCSc3ccccc32)CC1 8780464 WOZWOYVRAOJIBM-UHFFFAOYSA-N 355.485 0.703 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)cc1 12900300 MTMVDGRSQHRZBE-UHFFFAOYSA-N 350.400 0.158 0 40 FCAB O=C(NCCCN1CCOCC1)c1nc(Cn2cc(Cl)cn2)no1 15082470 SUGUIMGCMJNSOB-UHFFFAOYSA-N 354.798 0.420 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@H]1C(=O)c1cnn(-c2cccc(F)c2)c1N 19021339 AUHZJXLIMLEQKJ-HNNXBMFYSA-N 373.388 0.903 0 40 FCAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)N1CCC[C@H](C(N)=O)C1 19576132 IAJBVXVPMSXCGS-FUDCFQHSSA-N 355.394 0.798 0 40 FCAB COc1cnc(C2(O)CCN(C(=O)c3cn(C)nc3C)CC2)c(OC)n1 19583451 JBTSVUSLYJYEKD-UHFFFAOYSA-N 361.402 0.660 0 40 FCAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc(-n2cnnn2)c1 24015988 FYLNDCCULVDCCD-ZIAGYGMSSA-N 354.370 0.776 0 40 FCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375089 AWHPEGKWPUMIRZ-ARALKDLWSA-N 370.409 0.081 0 40 FCAB O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC(=O)NC1CCCCC1 35413806 YYUSEJMXROVBBM-HNNXBMFYSA-N 366.462 0.468 0 40 FCAB Cn1cccc1C(=O)NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 57840341 YJOBKLGXBBUQJI-UHFFFAOYSA-N 354.322 0.375 0 40 FCAB CS(=O)(=O)N1CCC(CNC(=O)NCC(=O)NC2CCCCC2)CC1 58208550 MRXOZDIGFIEHRF-UHFFFAOYSA-N 374.507 0.406 0 40 FCAB CNC(=O)c1ccc2nnn(OCc3nc4ccccc4c(=O)[nH]3)c2c1 67321352 YFAFSCGXGQISMQ-UHFFFAOYSA-N 350.338 0.656 0 40 FCAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1cnn(C)c1 71281576 GLIZYEFOUQIOLT-ZDUSSCGKSA-N 357.418 0.674 0 40 FCAB Cn1cnc(S(=O)(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c1 96026014 CZUVTRZXJGRHLY-UHFFFAOYSA-N 352.416 0.844 0 40 FCAB CN(CC(=O)NCCSc1ncn[nH]1)S(=O)(=O)c1ccc(F)cc1 226036415 ZIQVDEFJBFJUKM-UHFFFAOYSA-N 373.435 0.473 0 40 FCAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(S(=O)(=O)N(C)C)C3)n1 247932867 GIHSYKZAAXOANR-OAHLLOKOSA-N 355.460 0.946 0 40 FCAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)Cn2cccn2)C1 257239679 HQINUOHRGSUHTB-GFCCVEGCSA-N 351.432 0.491 0 40 FCAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCCn3cccn3)C2)ncn1 257338923 YZLFMVWDJKYTED-GOSISDBHSA-N 358.446 0.862 0 40 FCAB CN1CCN(C[C@@]2(O)CCCN(C(=O)Cc3cccc(O)c3)CC2)CC1 257343109 ZRMWXSYRYKCYCN-HXUWFJFHSA-N 361.486 0.926 0 40 FCAB CCCS(=O)(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 575405347 RUGHILRRAZJEJG-AWEZNQCLSA-N 360.476 0.599 0 40 FCAB Cn1cc(N2CC[C@H](NC(=O)N=c3nc(C(C)(C)C)[nH]s3)C2=O)cn1 605198283 PVKRUIOQIPXNGU-JTQLQIEISA-N 363.447 0.918 0 40 FCAB O=C(O)[C@H]1CC[C@H](C(=O)N2CCOCC3(CCOCC3)C2)N1C1CC1 630671101 YETFTUSIWLZOCL-HUUCEWRRSA-N 352.431 0.722 0 40 FCAB NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 671634397 FOLGPFWRRAMZDF-XHSDSOJGSA-N 368.455 0.726 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(Cc3ccnn3-c3ccccc3)C2)C1 685941609 ZPBNQQQHVYGKHP-AWEZNQCLSA-N 353.426 0.651 0 40 FCAB CN(CC(N)=O)C(=O)c1cccc(NC(=O)c2ccc3ncn(C)c3n2)c1 1157025646 QMROWZZVTVBPAJ-UHFFFAOYSA-N 366.381 0.778 0 40 FCAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)NCc1cccnc1 1547201255 SWVUOEUZYPPAQC-UHFFFAOYSA-N 364.365 0.745 0 40 FCAB COc1cc(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)on1 1565544000 YBFRJAQFFIOJNV-UHFFFAOYSA-N 359.386 0.551 0 40 FCAB Cc1cc(N2CCN(c3ncc(F)cn3)CC2)nc(N2CCOCC2)n1 1888843315 FQKWPUHJRUZYFF-UHFFFAOYSA-N 359.409 0.877 0 40 FCAB Cc1cnn(CCN2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1 2086884320 BTDBSTAOBNAXJK-UHFFFAOYSA-N 371.489 0.949 0 40 FCAB Cc1cc(C)n2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc2n1 3322982 IPJYOJCHTRVWHO-UHFFFAOYSA-N 374.426 0.361 0 40 FCAB Cc1sc2ncnc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1C 3349971 BGHWHMDFGGJKQE-SNVBAGLBSA-N 355.441 0.990 0 40 FCAB Cc1ccc(NC[C@@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 5387278 LGMZOBYWFSOOMS-CQSZACIVSA-N 357.414 0.524 0 40 FCAB CCOC(=O)c1sc2ncn(CC(=O)N3CCNC3=O)c(=O)c2c1C 6916052 RBJPGBDIAWOXEO-UHFFFAOYSA-N 364.383 0.495 0 40 FCAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 7425826 PBFRGBSSYLTICH-NSHDSACASA-N 359.386 0.295 0 40 FCAB CN1CCN(C(=S)c2ccc(OCC(=O)N3CCOCC3)cc2)CC1 8091791 OMCQJXZLDJZFQN-UHFFFAOYSA-N 363.483 0.847 0 40 FCAB COC(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 8394495 HAMVAILNLFAXHM-UHFFFAOYSA-N 356.400 0.429 0 40 FCAB COC(=O)c1c(C)cccc1NCCn1cnc2c1c(=O)n(C)c(=O)n2C 9367348 MDZYSJZQEOEIEV-UHFFFAOYSA-N 371.397 0.641 0 40 FCAB NS(=O)(=O)c1cccc(NC(=O)CSc2nnnn2C2CC2)c1 12808366 BFXWBYBENJOJND-UHFFFAOYSA-N 354.417 0.386 0 40 FCAB CCn1nnc2c(=O)n(CC(=O)Nc3ccc(OC)c(OC)c3)cnc21 13531437 FQKXJMHILLGDID-UHFFFAOYSA-N 358.358 0.664 0 40 FCAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc(N)nc(N)n1 14015049 XZZAFZVLUZYXRR-UHFFFAOYSA-N 362.415 0.906 0 40 FCAB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 14183281 XPWCGGUQVBAKJQ-LLVKDONJSA-N 369.468 0.844 0 40 FCAB COC(=O)[C@H]1C=CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 19462232 JOCHPBPCYIFMJN-JOYOIKCWSA-N 352.368 0.508 0 40 FCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(C)cc1 20674592 DXYCHLKVKHZTMJ-CVEARBPZSA-N 372.425 0.475 0 40 FCAB Cc1nnc2ccc(N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)nn12 20732649 URRHSCZWEHGMPF-UHFFFAOYSA-N 371.445 0.373 0 40 FCAB COc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1OC 23006470 PADCUPLYLNVKIG-UHFFFAOYSA-N 351.403 0.481 0 40 FCAB C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)O 41058346 PFRDQQWWZMBLMY-GXFFZTMASA-N 358.391 0.958 0 40 FCAB CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)NCCN2C(=O)CCC2=O)O1 89662555 SLMVFAWQWXYJJP-NEPJUHHUSA-N 369.418 0.324 0 40 FCAB O=C1COC2(CCN(C(=O)c3cnccn3)CC2)CN1Cc1ccccn1 96049218 UVUAYMNUFJXQHB-UHFFFAOYSA-N 367.409 0.905 0 40 FCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1ccoc1)C2 96050413 YIZBGNHFIYGNNL-SFHVURJKSA-N 357.414 0.853 0 40 FCAB O=C1CN(NC(=O)Nc2ccc(I)cc2)C(=O)N1 97117695 IQULWSHPWZEKTK-UHFFFAOYSA-N 360.111 0.880 0 40 FCAB CC(C)NC(=O)N1CCN(Cc2cnn(C)c2)C[C@@]2(CC(=O)N(C)C2)C1 97952760 PJZZVGALSRCOIX-SFHVURJKSA-N 362.478 0.504 0 40 FCAB O=S(=O)(c1ccc(F)c(-c2nnn[nH]2)c1)N1CC[C@@H](n2nccn2)C1 238819219 CFINXAZIAKPPEV-SECBINFHSA-N 364.366 0.233 0 40 FCAB O=C(C1CCOCC1)N1CC(CS(=O)(=O)NCc2ccccn2)C1 521398277 XAMZDDYBNLCHDQ-UHFFFAOYSA-N 353.444 0.386 0 40 FCAB C[C@]1(NCCNS(=O)(=O)c2ccc(F)cc2)CCS(=O)(=O)C1 575421474 INYLDNYZVLMXFM-ZDUSSCGKSA-N 350.437 0.271 0 40 FCAB Cc1nc(N(C)C2CN(c3ccc4nncn4n3)C2)c2cnn(C)c2n1 585592651 MKQFCTSKRVKFFR-UHFFFAOYSA-N 350.390 0.434 0 40 FCAB Cc1ccc(-n2ncc3c(=O)n([C@H]4CCN(CC(=O)O)C4=O)cnc32)cc1 663219014 GLOCHPRQYMRXCE-AWEZNQCLSA-N 367.365 0.749 0 40 FCAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@@H]2O1 1565546642 BJEZETFPIOSAJC-LVLFIUNYSA-N 373.453 0.817 0 40 FCAB O=C(c1nc[nH]n1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 1888853722 YMJWLSDGNBJBKE-RKDXNWHRSA-N 353.308 0.822 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCc1ccccc1 822332 RCRSVATZPQIKMU-UHFFFAOYSA-N 355.398 0.503 0 40 FCAB NS(=O)(=O)c1ccc(N2C(=O)C(=O)N(c3ccccc3)C2=S)cc1 1644360 JJSZFFMWZHQMED-UHFFFAOYSA-N 361.404 0.999 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCO)cc1Cl 4778316 HDDUHHQLZLPMAW-SECBINFHSA-N 350.824 0.514 0 40 FCAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCOCC3)CC2)Oc2ccccc21 12085701 WSRPNTXYPWLLCR-LJQANCHMSA-N 373.409 0.376 0 40 FCAB O=C(NC[C@H]1CCCO1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234269 URCFIIKCPIQPDE-CYBMUJFWSA-N 359.361 0.838 0 40 FCAB O=C1NC(=O)[C@@H](CCC(=O)N2CCN(c3ccccc3Cl)CC2)N1 12516238 BSPSHXHBYJRBIT-GFCCVEGCSA-N 350.806 0.977 0 40 FCAB CCc1cccc(OC[C@H](O)Cn2c(NC)nc3c2c(=O)[nH]c(=O)n3C)c1 14000236 PJWKJSHSFMTMJT-GFCCVEGCSA-N 373.413 0.467 0 40 FCAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)c1 15828708 ZVNDMTONKHWREM-CQSZACIVSA-N 359.382 0.918 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2-n2cnnn2)cc1 20720760 QZCLYCBQNNDXOQ-UHFFFAOYSA-N 362.346 0.701 0 40 FCAB COc1ccc(CN(C)CC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1F 26866247 LWFYZYQKHMNDSN-MRXNPFEDSA-N 358.435 0.960 0 40 FCAB COc1ccc(NC(=O)[C@@H](C)S(C)(=O)=O)cc1S(=O)(=O)N(C)C 32926136 HEGRHJSAXSPZTQ-SECBINFHSA-N 364.445 0.317 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35877138 WGFCRLFNEGONIT-QCUYGVNKSA-N 373.384 0.699 0 40 FCAB Cn1c(=O)oc2cc(S(=O)(=O)NCC(=O)NC3CCCCC3)ccc21 36105586 LUPOUCHDOIFBNB-UHFFFAOYSA-N 367.427 0.859 0 40 FCAB NS(=O)(=O)N1CCN(Cc2ccc(F)c(Br)c2)CC1 48609562 XIIJPIXPVZPKOU-UHFFFAOYSA-N 352.229 0.909 0 40 FCAB Cc1cc(C)n(Cc2cc(C(=O)N3CCC4(CC3)CNC(=O)O4)n[nH]2)n1 67642334 FWZVXJVZESHEPH-UHFFFAOYSA-N 358.402 0.986 0 40 FCAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)NCc1ccccc1 72348054 FUADCAQQLJPWLB-UHFFFAOYSA-N 374.404 0.931 0 40 FCAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(OCCCN(C)C)CC1 95407307 IZFZCJMLMPJDKY-HOTGVXAUSA-N 368.522 0.532 0 40 FCAB COCCn1c(N)c(C(=O)CN2CCC3(CCCCC3)C2)c(=O)[nH]c1=O 98000892 DXHPDMVRGAEAOJ-UHFFFAOYSA-N 364.446 0.604 0 40 FCAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)CN(C)S(C)(=O)=O 225246648 OXZGXHBFUNDQSD-RIYZIHGNSA-N 358.489 0.802 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)NCCCc1cnc2ncnn2c1 225642636 XWUGIOOSKITEAZ-UHFFFAOYSA-N 352.354 0.781 0 40 FCAB CC/C=C\C[C@@H]1[C@@H](CC(=O)O)CC[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253529560 GJZJZRWFRZFTEE-MLODENTASA-N 374.430 0.029 0 40 FCAB biogenic,in-vitro CNC(=O)c1cnn2c([C@H]3CCCN(CC4(O)CCOCC4)C3)ccnc12 257216622 CVKGNTCOZLRYNR-AWEZNQCLSA-N 373.457 0.810 0 40 FCAB CN(CC1(O)CCN(c2cccc3nccn23)CC1)C(=O)/C=C/C(=O)O 257303340 SGUSAAZGBFOBSH-AATRIKPKSA-N 358.398 0.765 0 40 FCAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)C(C)(C)n1cncn1 257335364 YJVYGAAINYSYOY-QGZVFWFLSA-N 359.434 0.293 0 40 FCAB COC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 408588539 DBNXSKWADRSDTR-GHMZBOCLSA-N 360.432 0.522 0 40 FCAB CN(CC(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1)S(C)(=O)=O 575610235 UTBFCNDLSAISRR-NSHDSACASA-N 362.839 0.391 0 40 FCAB CCOc1ncccc1CNC(=O)N1CCC[C@](O)(CC(=O)N(C)C)C1 585088655 WYATXMAMQFTJKU-SFHVURJKSA-N 364.446 0.995 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)Cc3ccc(C)cc3)C[C@H]21 585110067 DKVBCVPHKUTKSF-HOTGVXAUSA-N 368.437 0.922 0 40 FCAB Cc1cccc(C[C@@]2(CO)CN(CC(=O)Nc3ccn(C)n3)CCO2)c1 585278228 NTIBCDPEJUIDOQ-IBGZPJMESA-N 358.442 0.973 0 40 FCAB O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCCN1c1ncccn1 618256550 JTQUDPNPTQEONF-ZDUSSCGKSA-N 365.393 0.858 0 40 FCAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NC(=O)NC3CCCCC3)[C@H]3CO[C@@H]2O3)c1 952844712 GUXAGFLRFONLOT-DGXTUMSLSA-N 350.419 0.849 0 40 FCAB biogenic,in-vitro Cn1cc([C@@H]2CN(C(=O)c3ccc(N4CCOC4=O)cc3)C[C@H]2N)cn1 1261456392 XUMVFLRCZBGOKY-JKSUJKDBSA-N 355.398 0.944 0 40 FCAB Cn1ccnc1CN1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@H]2C1 1549160489 DWRICRORZAAWGF-OAHLLOKOSA-N 373.457 0.828 0 40 FCAB CCN1C(=O)[C@H](CC(N)=O)N(NC(=O)c2ccc(Cl)cc2)C1=S 662350 RYYGIWGBOAWOLZ-JTQLQIEISA-N 354.819 0.678 0 40 FCAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCOCC2)C1=O 5791510 UCAFVFGBBZDQPQ-MRXNPFEDSA-N 353.325 0.591 0 40 FCAB CN(C(=O)COC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 6169330 QZOWMIRLXATCDE-RISCZKNCSA-N 369.395 0.015 0 40 FCAB CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3Cc2ccco2)n(C)c1=O 6749044 YTBMNWDNJNEWQF-UHFFFAOYSA-N 373.369 0.073 0 40 FCAB NC(=O)COc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 13017518 FFBORFNNCZJQRA-UHFFFAOYSA-N 352.350 0.899 0 40 FCAB Cc1cc(O)n2nc([C@H]3CCN(S(=O)(=O)N4CCCC4)C3)cc2n1 13225730 YKCSHLNXZUENBH-LBPRGKRZSA-N 351.432 0.873 0 40 FCAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 14185409 KVDBCAYSRMHPFR-QGZVFWFLSA-N 356.338 0.784 0 40 FCAB COc1ccc(N2C(=O)C[C@H](SC[C@H](N)C(=O)O)C2=O)c(OC)c1 16899901 DLULGAGNMZEQBH-CABZTGNLSA-N 354.384 0.481 0 40 FCAB Cc1cc2nc([C@H](NC(=O)[C@H]3CCS(=O)(=O)C3)C(C)C)cc(O)n2n1 19129456 NBDLZVKRQMVTKN-XHDPSFHLSA-N 366.443 0.991 0 40 FCAB CC1(C)S[C@@H]([C@H](NC(=O)[C@H](N)c2ccccc2)C(=O)O)N[C@H]1C(=O)O 34064296 KDAWOPKDXRJNHV-BLFANLJRSA-N 367.427 0.150 0 40 FCAB in-vitro Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@H](O)COCc1ccco1 40287276 MLNFDINOZNIVGR-LBPRGKRZSA-N 350.375 0.262 0 40 FCAB CON(C)C(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72327089 LWRVIZIBCNTHRZ-DIFFPNOSSA-N 361.402 0.354 0 40 FCAB COc1cccc(CN2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C(=O)O)CC2)c1 101442029 BGWXNYCWNDJRBT-FJIDUMEYSA-N 372.421 0.994 0 40 FCAB CN(Cc1ccco1)C[C@@H]1CC[C@]2(COCCN(S(C)(=O)=O)C2)O1 107766965 KZMMMDYVLQOXMA-HOTGVXAUSA-N 358.460 0.921 0 40 FCAB Cn1cnc(S(=O)(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)c1 225277045 KFMGLGJQLYPSIU-UHFFFAOYSA-N 374.426 0.836 0 40 FCAB Cc1ccc(S(=O)(=O)[C@]23OC(C)(C)O[C@@H]2[C@H](O)[C@H]2CO[C@H]3O2)cc1 242495383 GDLOUXJFINZTDN-AQDIXCGQSA-N 356.396 0.733 0 40 FCAB CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1 247953374 CNBVDYQQTACACD-HNNXBMFYSA-N 357.476 0.212 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3cnn(C)c3)n2)C1 257256602 KMEGBZOHVKDPAR-ZDUSSCGKSA-N 364.475 0.938 0 40 FCAB CC(=O)Nc1cccc([C@@H]2CN(C(=O)CN)C[C@]23CCCCC(=O)N3)c1 257298720 RMZMUECEFZCZOJ-QFBILLFUSA-N 358.442 0.959 0 40 FCAB Cc1cc(C)n(-c2ccc(N3CCN(c4nccn(C)c4=O)CC3)nn2)n1 467024351 OLOHLUWLRWLPAM-UHFFFAOYSA-N 366.429 0.699 0 40 FCAB CSC[C@@H](C)C(=O)N1CCC(C(=O)NC[C@H]2CN3CCN2CC3)CC1 507884928 JUNNTGFIETUHBI-ZBFHGGJFSA-N 368.547 0.340 0 40 FCAB CC(C)S(=O)(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 575404183 AGLDRMSSTOBLNT-CQSZACIVSA-N 356.448 0.922 0 40 FCAB Cn1cc(N2CC[C@@H](NC(=O)N=c3nc(C(C)(C)C)[nH]s3)C2=O)cn1 605198284 PVKRUIOQIPXNGU-SNVBAGLBSA-N 363.447 0.918 0 40 FCAB CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc2c(F)cccc2[nH]1 644174751 OJXROGUEFIBCHL-JTQLQIEISA-N 367.402 0.682 0 40 FCAB C[C@H](NC(=O)NC[C@@H]1CCC(=O)N1)c1ccc(S(=O)(=O)N(C)C)cc1 663756307 VHXYBKUTQNVWQE-AAEUAGOBSA-N 368.459 0.576 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)CCO1 681941933 IYUBKALDHWWNKC-CYBMUJFWSA-N 364.402 0.072 0 40 FCAB CC(=O)OCC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615126951 PDFULNMKDXNEJO-KRWDZBQOSA-N 350.346 0.723 0 40 FCAB Cn1nc(C(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)ccc1=O 1888853040 UQRVGWAPHMAHNM-UHFFFAOYSA-N 353.304 0.813 0 40 FCAB COc1cnc(C(=O)N2C[C@H]3CCN(CC(=O)N(C)C)CC[C@H]3C2)nc1 2056223279 CMJLHUCOYCDCIW-OKILXGFUSA-N 361.446 0.357 0 40 FCAB CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3CCO)c2=O)cc1 4940515 PYNFYDFYCTZNRZ-UHFFFAOYSA-N 370.369 0.182 0 40 FCAB COC(=O)c1nnn(CC(=O)Nc2cc(F)ccc2F)c1C(=O)OC 4969595 ZAGZOTFQKZJHSM-UHFFFAOYSA-N 354.269 0.768 0 40 FCAB CCOC(=O)N1CCN(C(=S)NN[C@H](C)c2cccc[n+]2[O-])CC1 5856178 XXCZYPXPGYHKCA-GFCCVEGCSA-N 353.448 0.534 0 40 FCAB CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC(C)C)cc1 5913737 AJFSJPMFIJYNGG-UHFFFAOYSA-N 371.415 0.376 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@@H]3CCCC[C@H]32)n(C)c1=O 8746657 FDAHJPFGWQZHLF-QWHCGFSZSA-N 359.430 0.615 0 40 FCAB CN(C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCS(=O)(=O)C1 12942780 KVDXSQMBKKQTTI-ZDUSSCGKSA-N 372.468 0.386 0 40 FCAB COCCN1Cc2c(nc3sc(SCC(=O)OC)nn3c2=O)C1=O 15922213 JNBJIKALLBNSTC-UHFFFAOYSA-N 370.412 0.018 0 40 FCAB O=C(c1cnccn1)N1CC[C@@H](c2nc(O)cc(-c3ccc[nH]c3=O)n2)C1 19293202 QHCZNBNFMDTDJX-LLVKDONJSA-N 364.365 0.957 0 40 FCAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)C2CC2)CC1 48229919 FAPUFBIJJBLBPQ-INIZCTEOSA-N 358.442 0.783 0 40 FCAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nncs1 61717643 PYYDKRPVENCUID-NSHDSACASA-N 361.431 0.792 0 40 FCAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCN3C(C)=O)nc(NC)c2C1 72372211 RQTBOVUVYDFFMI-CQSZACIVSA-N 367.475 0.910 0 40 FCAB C[C@H](OC(=O)Cn1ncn(C)c1=O)C(=O)Nc1ccccc1OC(F)F 95466549 UDXAWCXHWAABOW-VIFPVBQESA-N 370.312 0.754 0 40 FCAB Cn1ccnc1CN1CC[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 96062386 AJZNSVUUWGFWAB-LJQANCHMSA-N 362.474 0.898 0 40 FCAB CN1CCN(C(=O)[C@H]2C[C@@H]3CN(C(=O)NC4CCCC4)C[C@H]2O3)CC1 96253279 DBKKEKVHGXPCCZ-OWCLPIDISA-N 350.463 0.502 0 40 FCAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)NCCCN1CCCC1=O 96999558 CYQYJMNLQQJJNI-UHFFFAOYSA-N 364.490 0.450 0 40 FCAB COC(=O)C[C@H]1CCCCN1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 195529425 JKRQPJJVYPCBRK-IJNPPISZSA-N 360.410 0.738 0 40 FCAB CCOCCCNc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O 217595038 AYRYQANKKKBXON-UHFFFAOYSA-N 360.432 0.884 0 40 FCAB Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)c1 253471782 FRUQWADVWPGWBX-BMFZPTHFSA-N 368.455 0.726 0 40 FCAB Cc1nc(CC(=O)N2CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)cs1 257316874 VHJDKWKZRWSTIE-HOTGVXAUSA-N 352.504 0.593 0 40 FCAB Cc1cc(N2Cc3ccnn3[C@H](CC(=O)N3CCC3)C2)n2ncnc2n1 306135432 OQJCZYNQOMNDRV-CQSZACIVSA-N 352.402 0.813 0 40 FCAB COC(=O)c1cn(-n2c(O)nc3ccccc3c2=O)cc2c(O)nnc1-2 524734991 XRXUPYXGFVXFDS-UHFFFAOYSA-N 353.294 0.602 0 40 FCAB O=C(CO[C@@H]1CSC2(C1)CN(C(=O)[C@@H]1CCOC1)C2)N1CCCC1 575403010 HNJKWYKSTPWXNH-KGLIPLIRSA-N 354.472 0.748 0 40 FCAB COC(=O)[C@@H]1CC12CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)CC2 575414151 NYHQSCTWDHBSTO-ZDUSSCGKSA-N 358.460 0.460 0 40 FCAB O=C(NCc1cccnc1)[C@H]1C[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@H]2O1 585108871 AFHYWJNLZBRNJZ-LMCYLSQRSA-N 359.426 0.475 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)Cc3cccc(F)c3)C[C@H]21 585110130 MUOIIHFUVSTWJN-ZFWWWQNUSA-N 372.400 0.752 0 40 FCAB COC[C@@]1(CC(=O)NCc2ccccc2OC)CN(C(C)=O)CCO1 585280370 GFWCLLYNDOZFLI-GOSISDBHSA-N 350.415 0.965 0 40 FCAB Cc1nc(C)n(C[C@@H]2CCCN2C(=O)[C@@H](C)n2cnc3c(N)ncnc32)n1 628588199 FLVCKJAOBVIWMC-MFKMUULPSA-N 369.433 0.869 0 40 FCAB Cn1ccc(CC(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)n1 1565550729 HHDVCHYQQUMUHP-UHFFFAOYSA-N 354.414 0.798 0 40 FCAB Cn1c(C(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)cccc1=O 1565556490 VAEBEWOFMOKXDR-DOTOQJQBSA-N 357.410 0.951 0 40 FCAB CC(C)N1CCC(N2C(=O)O[C@H]3CN(c4cc(C(N)=O)ncn4)C[C@H]32)CC1 1615591642 OLTSPPGCJFWLEN-CABCVRRESA-N 374.445 0.458 0 40 FCAB Cn1c(O)nc(N2C[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]3C2)cc1=O 1888853929 ARCPEYOZZQJIFD-TXEJJXNPSA-N 371.397 0.560 0 40 FCAB O=C([C@@H]1CN(Cc2noc(C3CCOCC3)n2)CCO1)N1CCCC1 1888859274 HVJHIUOPXDJOEF-AWEZNQCLSA-N 350.419 0.787 0 40 FCAB CCCCCOC(=O)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 3019659 SSRBZBFHRFMPRW-UHFFFAOYSA-N 373.207 0.919 0 40 FCAB CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C)C(=O)O 4090628 QEGKDAFWQOHJND-HZMBPMFUSA-N 362.386 0.769 0 40 FCAB biogenic COC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)N(C)C(C)=C2C(=O)OC 4517084 PSCQDWOVTZSVBH-GOSISDBHSA-N 358.350 0.579 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nc3ncnn3c2O)cc1 9878651 ONXPAZGSSVTPFF-UHFFFAOYSA-N 362.371 0.898 0 40 FCAB CCN1CCN(C2=N[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2)CC1 13730962 VLCINKKYJMQTRH-HNNXBMFYSA-N 359.430 0.516 0 40 FCAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1=O 14164223 FSTFPYYFRPNGCB-QGZVFWFLSA-N 374.353 0.784 0 40 FCAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 22246613 QFZURSSWMZOOIB-JQWIXIFHSA-N 367.427 0.621 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2nc(C)no2)cc1 22743221 DADDXSFVKURIGQ-VIFPVBQESA-N 355.372 0.797 0 40 FCAB CCN(Cc1cccs1)C(=O)CN1CCN(CC(=O)NC2CC2)CC1 22787228 IZPPMDCGDGCCEO-UHFFFAOYSA-N 364.515 0.993 0 40 FCAB CC(C)(CN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 36740606 HEDAWBXOTCRAII-UHFFFAOYSA-N 369.443 0.407 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3CCN(c4ccc(F)cc4)C3=O)CC2)N1 53291632 DBUHNSJDPFJXHB-CYBMUJFWSA-N 374.372 0.379 0 40 FCAB CC(=O)N1CCN(c2ccc(N3C[C@H](C(N)=O)CC3=O)cc2Cl)CC1 57332438 ZKLNLFRRJNPGPZ-GFCCVEGCSA-N 364.833 0.847 0 40 FCAB COc1ccc(NC(=O)Cn2c(=O)n(CCO)c(=O)c3ccccc32)cc1 71282489 DDLCSPNDWKSPQI-UHFFFAOYSA-N 369.377 0.803 0 40 FCAB CN1CCN([C@@H]2CCN(Cc3cnn(C)c3)[C@H]2Cc2cnn(C)c2)CC1 96087481 LFGRKVOBKNLZDR-MOPGFXCFSA-N 357.506 0.587 0 40 FCAB O=C(NCCn1cnc2ccccc2c1=O)C1(n2cnnn2)CCCCC1 96118122 RCZYUMMMELSPBL-UHFFFAOYSA-N 367.413 0.859 0 40 FCAB CCNC(=O)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CCOC 96143058 XGUJIWWBCYDSCT-MRXNPFEDSA-N 353.444 0.968 0 40 FCAB CCN(CC)c1ccnc([C@H]2COCCN2C(=O)CS(C)(=O)=O)n1 96217833 YJADCOFUYOSDFJ-GFCCVEGCSA-N 356.448 0.267 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(C(=O)c1ccnnc1)CCN(C(=O)C(C)C)C2 97952795 JXKQLSYCPIEUSD-LJQANCHMSA-N 373.457 0.656 0 40 FCAB CC(=O)N1[C@@H](C(=O)N2CCN(C)CC2)C[C@@H]2CN(c3ccccn3)C[C@@H]21 107197218 CSSXDGYUWHSREC-ZACQAIPSSA-N 357.458 0.281 0 40 FCAB COC(=O)COC(=O)[C@H](Cc1ccc(OCC(=O)OC)cc1)NC(C)=O 113547084 IWOTXTCVZSVJBS-AWEZNQCLSA-N 367.354 0.002 0 40 FCAB COC(=O)[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 225634759 JAUIFQMHWIIKPC-CABZTGNLSA-N 370.383 0.083 0 40 FCAB CCOc1ccc2nnc(CNC(=O)c3cccc(-n4cnnn4)c3)n2n1 238831586 GARMYBRGYBDTHP-UHFFFAOYSA-N 365.357 0.429 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 247902817 WGFCRLFNEGONIT-NRTGNBEESA-N 373.384 0.699 0 40 FCAB Cn1cnc(S(=O)(=O)N2Cc3ccnn3C[C@@H](OCC3CC3)C2)c1 306144310 ZCCLPFKLXPAPRH-AWEZNQCLSA-N 351.432 0.616 0 40 FCAB CCCNC(=O)CN1CCC(NC(=O)N[C@@H](C)[C@@H](CO)SC)CC1 524837214 DHTFGFWBBKAIIY-GXTWGEPZSA-N 360.524 0.389 0 40 FCAB O=C(O)[C@@H]1Cn2cnnc2CN1C(=O)Cc1ccccc1OC(F)F 643855494 BPRYCMNFBIQQDG-JTQLQIEISA-N 352.297 0.918 0 40 FCAB O=C(CN1CCCC[C@H](O)C1=O)NCc1cccc(N2CCCC2=O)c1 644310379 VLTRJLARCGOERN-INIZCTEOSA-N 359.426 0.803 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CCO1 681943730 ODBKXZFSXKXZOA-GOEBONIOSA-N 369.462 0.411 0 40 FCAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NCc2ccc3c(c2)OCO3)[C@H]2CO[C@@H]1O2 952844609 AUNLAUDDOREMEW-HSFUPAIVSA-N 359.382 0.736 0 40 FCAB biogenic,in-vitro O=C1[C@@H]2CN([C@@H]3CCN(C4CC4)C3=O)C[C@@H]2C(=O)N1Cc1ccccc1 1118561863 UMYKSKZTMXSXAK-IXDOHACOSA-N 353.422 0.867 0 40 FCAB CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)O 3280845 XDZCJZJVUIMYOF-AWEZNQCLSA-N 370.427 0.547 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 3435417 OYFVOUSIRWXQKA-UHFFFAOYSA-N 358.379 0.752 0 40 FCAB COCCNC(=O)CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n12 5076088 XXGKMVYYWSKXCS-UHFFFAOYSA-N 359.411 0.939 0 40 FCAB CC(C)[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 6358618 FPEQJDJUZGRSSZ-FZMZJTMJSA-N 364.423 0.611 0 40 FCAB O=C(NCC(=O)N1CCC2(CC1)NCCc1nc[nH]c12)c1cccs1 8996722 LSFNPENVDQBJBI-UHFFFAOYSA-N 359.455 0.865 0 40 FCAB C[C@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)NC1CC1 9494019 ZFGUCOGWLSRRQN-LBPRGKRZSA-N 354.428 0.753 0 40 FCAB CNC(=O)c1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 10078383 LXNZNHASJQYRSX-UHFFFAOYSA-N 354.370 0.518 0 40 FCAB O=C(Cn1cnc2ccccc21)NCCn1nnn(-c2ccccc2)c1=O 12145984 LHQBNXNBWBIWOT-UHFFFAOYSA-N 363.381 0.595 0 40 FCAB CCc1cc2cc3c(cc2n2c(=O)n(CC(=O)NCCOC)nc12)OCO3 12181232 KQKPTCUYYDUXDS-UHFFFAOYSA-N 372.381 0.703 0 40 FCAB COC(=O)CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 17440956 ABDLSFUDQUXMCK-FMIVXFBMSA-N 366.439 0.988 0 40 FCAB O=C(/C=C/c1cccc(F)c1)N1CCN(CC(=O)N2CCOCC2)CC1 32731600 SNFQLYRDJVHJBN-SNAWJCMRSA-N 361.417 0.842 0 40 FCAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccc3nnnn3n2)CC1 40025153 ZPZLCXPBISIFDS-CQSZACIVSA-N 367.369 0.008 0 40 FCAB CC(=O)Nc1cccc(OC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 40049851 GQKPAVWAVWRFPB-UHFFFAOYSA-N 368.349 0.810 0 40 FCAB Cc1noc(C)c1CCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 43059103 MIIPDFRGHCIZRD-GFCCVEGCSA-N 357.432 0.034 0 40 FCAB CC(C)[C@@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N(C)CCc2ccccc21 51951644 PKXWXXPNHIWQHW-APHBMKBZSA-N 361.442 0.380 0 40 FCAB NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c2NC(=O)C3)cc1 52648367 UWYGFMNYOYOTIG-UHFFFAOYSA-N 367.408 0.629 0 40 FCAB COC(=O)CCC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 53743505 NKSMWKJXSZEUGR-UHFFFAOYSA-N 365.405 0.934 0 40 FCAB C[C@@H](NC(=O)C1(NS(C)(=O)=O)CCCCC1)C(=O)NC1CCCC1 58423878 YNUATECZOIJRIN-GFCCVEGCSA-N 359.492 0.802 0 40 FCAB COCCCNC(=O)c1nnn(-c2cccc3c2CCN(CCO)C3)c1C 71890462 VOMLFFGOCQGCQZ-UHFFFAOYSA-N 373.457 0.692 0 40 FCAB O=S(=O)(CCC1CC1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 96000423 KNDNYXNZIPWYIT-AWEZNQCLSA-N 366.505 0.243 0 40 FCAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(S(=O)(=O)C1CC1)CC2 96059503 VGPGBWIARLWZQL-UHFFFAOYSA-N 363.443 0.459 0 40 FCAB CN(C)CCNC(=O)c1nc2c(n1C)CCN(C(=O)c1cccnc1)C2 96264860 IBGKQJMTHSYQGT-UHFFFAOYSA-N 356.430 0.305 0 40 FCAB O=S1(=O)CC[C@H](NN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1 575421866 SELDUUTXWBMERM-LSDHHAIUSA-N 358.485 0.367 0 40 FCAB COC[C@@H]1Cc2c(ncn2C)CN1S(=O)(=O)c1c(C)nn(C)c1C 585094740 JYAHPAHPIDTGSW-LBPRGKRZSA-N 353.448 0.532 0 40 FCAB Cn1ccc(CC(=O)N2C[C@H]3OC[C@@H](CC(=O)NCc4ccco4)[C@H]3C2)n1 585108614 YCNDZWZQQUTMGD-KBRIMQKVSA-N 372.425 0.736 0 40 FCAB CCCc1nnc(NC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)s1 644281558 ZVQPDCOLRYDTOS-HNNXBMFYSA-N 355.464 1.328 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)NC[C@@H]1CCCO[C@H]1c1ccnn1C 657199916 DIAJJBNQHCQYGM-SWLSCSKDSA-N 353.448 0.908 0 40 FCAB Cn1cnc(C(=O)N2Cc3ncnn3C[C@H](C(=O)Nc3ccccc3)C2)n1 1565545899 NXEVEJNHGQFTBK-GFCCVEGCSA-N 366.385 0.318 0 40 FCAB CC1CC(C(=O)N2Cc3ncnn3C[C@H](C(=O)N3CCN(C)CC3)C2)C1 1565549510 SNXCYDWZJXLHOU-YMAMQOFZSA-N 360.462 0.057 0 40 FCAB CC(C)N(C)CC(=O)N1CCc2c(COCC(=O)N(C)C)cncc2C1 1565553104 KSLZUAHMXBWUCM-UHFFFAOYSA-N 362.474 0.911 0 40 FCAB Cc1nc(N2C[C@@H]3CN(c4ncnc5c4cnn5C)C[C@@H]3C2)nc(O)c1F 1888901077 WXVKDDZVOULBMW-PHIMTYICSA-N 370.392 0.879 0 40 FCAB CNC(=O)[C@]1(n2cccn2)CCCN(S(=O)(=O)c2ccc(F)cc2)C1 2055772866 OIDFVZQCSTXVHE-INIZCTEOSA-N 366.418 0.948 0 40 FCAB CC(=O)N[C@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@H]1OCCc1ccccc1 2105822 XTDWBJYOEJCBLM-RSJGLCBASA-N 365.426 0.988 0 40 FCAB biogenic COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)c1ccccc1 4317975 AHZMNUKDFMNFKD-UHFFFAOYSA-N 371.397 0.755 0 40 FCAB CC(C)CNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 4569586 OUWQWQOVBLHPCJ-LBPRGKRZSA-N 373.500 0.790 0 40 FCAB O=C(Nc1nccs1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 8298382 SFPGEGRAOLONHQ-YUTCNCBUSA-N 362.459 0.619 0 40 FCAB biogenic,in-vitro CCCN(CC1CC1)C(=O)CN1NS(=O)(=O)c2ccccc2C1=O 9450374 BQHACFSOMLASDS-UHFFFAOYSA-N 351.428 0.984 0 40 FCAB C[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NC(=O)NC1CC1 10393508 XAZVKBDQYNYQAV-VIFPVBQESA-N 369.399 0.592 0 40 FCAB Cc1cccc(N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 12586909 JKFTYGZGRGJNFM-HNNXBMFYSA-N 351.472 0.420 0 40 FCAB Nc1nccnc1C(=O)OCC(=O)NCCc1ccc2c(c1)OCCO2 14060203 NZRCBVIDFFTGHQ-UHFFFAOYSA-N 358.354 0.346 0 40 FCAB O=C1CCCN1CC(=O)N1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 19292458 NUXNUEVHBQJXJG-XJKSGUPXSA-N 371.441 0.524 0 40 FCAB COc1ccc(F)cc1CN1CCN(CC(=O)N2CCOCC2)CC1 23257257 MVJIXTGAFHQIHN-UHFFFAOYSA-N 351.422 0.811 0 40 FCAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC2CC2)cc1C 28209735 JXWGGGQKTBATFF-CYBMUJFWSA-N 352.412 0.962 0 40 FCAB Cn1nc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)ccc1=O 38907386 OQWKVKWZZMIGNF-UHFFFAOYSA-N 352.398 0.615 0 40 FCAB CN1C(=O)[C@@H](NC(=O)C(=O)NCCc2ccc(O)cc2)c2ccccc21 40284277 XNTJFIPIDLZZCF-INIZCTEOSA-N 353.378 0.885 0 40 FCAB COc1cccc(NC(=O)C[C@@H](CN2CCN(C(C)=O)CC2)C(=O)O)c1 61721786 ANRULROJGKHDIS-AWEZNQCLSA-N 363.414 0.889 0 40 FCAB Cn1cc(C(=O)NCCn2nc(C3CC3)n(-c3ccccc3)c2=O)nn1 75165299 UTRMAIJLNFADEM-UHFFFAOYSA-N 353.386 0.470 0 40 FCAB Cc1nn(-c2ccccc2)c(O)c1-c1nnc2c(=O)n(C)c(=O)n(C)c2n1 100160140 PGCGOGPBRUHEIK-UHFFFAOYSA-N 365.353 0.289 0 40 FCAB COCCNS(=O)(=O)Cc1cccc(NC(=O)c2cnccn2)c1 223239539 CGJASAZPXIODAV-UHFFFAOYSA-N 350.400 0.795 0 40 FCAB O=C(Cc1ccc2c(c1)OCO2)NCCn1c(=O)[nH]c2ncccc2c1=O 225795617 RCCYSSXWWBUWQL-UHFFFAOYSA-N 368.349 0.172 0 40 FCAB Cc1cc(C)cc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 243311631 LIAUSHLEBWKTIC-UHFFFAOYSA-N 369.487 0.518 0 40 FCAB Cn1nccc1C(=O)NCC[C@@H]1CCOC12CN(c1ncc(F)cn1)C2 248044374 PHQXCDSRVKOARN-GFCCVEGCSA-N 360.393 0.765 0 40 FCAB COCCN1C(=O)CO[C@H]2CN(C(=O)c3cn4c(C)cccc4n3)C[C@@H]21 257292934 QNNIQZVYNTTXGI-GJZGRUSLSA-N 358.398 0.341 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)N(C)C[C@]1(O)CCN(c2cnccn2)C1 257325081 WRIBXCRWVHLPGG-GOSISDBHSA-N 358.446 0.469 0 40 FCAB O=C(c1cccnc1)N1CCC[C@](C(=O)N2CCOCC2)(n2cccn2)C1 306141253 VPYPQRKHDCDYBK-IBGZPJMESA-N 369.425 0.768 0 40 FCAB Cc1cc(C)c(S(=O)(=O)N(CCN)[C@H]2CCS(=O)(=O)C2)cc1C 575424605 UINAZLLLKFFATM-AWEZNQCLSA-N 360.501 0.748 0 40 FCAB COc1nc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)nc(OC)n1 575608972 ZPWRKULOGBYHNA-UHFFFAOYSA-N 367.387 0.326 0 40 FCAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(CN2C(=O)COC2=O)C1 575616741 OSZAKKSDBQSSHD-JTQLQIEISA-N 362.338 0.620 0 40 FCAB CS[C@H](CO)[C@H](C)NC[C@H](O)Cn1c(-c2ccccc2)noc1=O 580445120 JZRPLMWWIVBQRB-FPMFFAJLSA-N 353.444 0.566 0 40 FCAB Cc1cc(CN2CCN(C(=O)[C@H](C)n3cnc4c(N)ncnc43)CC2)on1 665759309 CCQOMDOFIPBBOU-LBPRGKRZSA-N 370.417 0.610 0 40 FCAB Cn1ncc(C(=O)NC[C@H]2CC3(CCNCC3)C(=O)O2)c1Br 1122199520 YUVDVSGPVVVWFW-SECBINFHSA-N 371.235 0.598 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1 1565545832 MQJHBSHWYXCMID-LDDOYCOJSA-N 362.405 0.706 0 40 FCAB O=C(CC1(O)CCC1)N1CCO[C@@]2(COCCN(c3cnccn3)C2)C1 1565555490 BNJAXKXNVPGLST-GOSISDBHSA-N 362.430 0.216 0 40 FCAB Cc1ccn(C[C@@](C)(O)C(=O)NCc2nc(-c3ccccn3)n[nH]2)c(=O)c1 1569080539 XWIMZHFMONXFNH-GOSISDBHSA-N 368.397 0.404 0 40 FCAB CSCSC[C@@H](CO)NC(=O)/C(C)=C\c1c(C)[nH]c(=O)[nH]c1=O 1743875 PHNDAAHKXMCWTN-NAXAJZLFSA-N 359.473 0.306 0 40 FCAB CC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2643970 ZWDYUHYAVBHONU-NSHDSACASA-N 373.862 0.698 0 40 FCAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)C(N)=O 5365612 OSADLHZAPYWVLC-SNVBAGLBSA-N 352.368 0.789 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@H]1c1cccs1)c(=O)n2C 7988835 DZPKMOPXJAYXLP-NSHDSACASA-N 373.438 0.859 0 40 FCAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(-n2cnnn2)cc1 9466762 BRQDZEXMWPLIBM-UHFFFAOYSA-N 372.366 0.618 0 40 FCAB O=C(NCC(=O)N1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCO2 11545210 IIPHJGWGIBRERS-UHFFFAOYSA-N 369.381 0.284 0 40 FCAB CCOCC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 12071527 WUIBUXUEHNPYRK-UHFFFAOYSA-N 373.388 0.933 0 40 FCAB COCC(=O)N1Cc2cn(C)nc2[C@@H](C(=O)NCCc2ccc(F)cc2)C1 19696367 LHCJSUUGZQBXLX-INIZCTEOSA-N 374.416 0.990 0 40 FCAB COc1cc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc(OC)c1 40097709 DNVWMYHPZIWQDO-UHFFFAOYSA-N 372.447 0.660 0 40 FCAB CCCCC(=O)NCCS(=O)(=O)N1CCN(C(=O)CCCC)CC1 40156121 PPIWQVQEQMHUOC-UHFFFAOYSA-N 361.508 0.957 0 40 FCAB CCNC(=O)C1(NC(=O)c2cnc3nc(O)[nH]c(=O)c3c2)CCCCC1 56016222 LRPGZQKTSNREKQ-UHFFFAOYSA-N 359.386 0.593 0 40 FCAB COC(=O)Cn1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)n1 67899349 LEIMJBYTVRRTGA-UHFFFAOYSA-N 367.383 0.874 0 40 FCAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1cnn(C)c1 71328962 GLIZYEFOUQIOLT-CYBMUJFWSA-N 357.418 0.674 0 40 FCAB O=C(C[C@@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc(Cl)nc1 72406485 NCVHNNCNPJOBHE-LBPRGKRZSA-N 370.837 0.374 0 40 FCAB O=C(NCCO)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95478262 MVHIKIUMATYCEH-MRVPVSSYSA-N 367.203 0.787 0 40 FCAB CN(C)c1ccc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cn1 96005442 PFXQBWRHUAGMKO-UHFFFAOYSA-N 352.460 0.834 0 40 FCAB CC(C)NC(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 96156746 UOFTYOPRIRKKHV-AWEZNQCLSA-N 373.461 0.838 0 40 FCAB Cc1ccn(-c2ccc(N3CCN(c4ccc5nncn5n4)CC3)nn2)n1 134161206 GFCPWWDZZRYNQB-UHFFFAOYSA-N 362.401 0.735 0 40 FCAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2cc(=O)c3ccccc3o2)C1 225677901 OMJZYTQFJRXIOJ-UHFFFAOYSA-N 373.390 0.825 0 40 FCAB CCN1CCN(C(=O)NCCn2cc(-c3ccccc3)cn2)C(=O)C1=O 253473329 UFHBPYBULZARRE-UHFFFAOYSA-N 355.398 0.950 0 40 FCAB CCc1nccn1CC(=O)NC[C@@]1(O)CCCN(c2cc(C)ncn2)C1 257238561 HLOZZVNHFPQNBM-SFHVURJKSA-N 358.446 0.692 0 40 FCAB Nc1cnc(C[C@H]2CCCN(S(=O)(=O)N3CCOCC3)CC2)cn1 257307168 SXMJMVHYXCRWPU-ZDUSSCGKSA-N 355.464 0.280 0 40 FCAB COCCN(C)c1cnn([C@H]2CCCN(CCn3ccnc3)C2)c(=O)c1 583619555 PXQZDKOHNRIBGZ-INIZCTEOSA-N 360.462 0.860 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCC2(CN(S(=O)(=O)c3ccccc3)C2)OC1 585105309 STPXIFWZOPPHHQ-ZDUSSCGKSA-N 374.484 0.406 0 40 FCAB CCOC(=O)N1CCC(O)(CN2CCO[C@@](C)(C(=O)N(C)C)C2)CC1 585285343 XRHJCEPAKZFXTK-MRXNPFEDSA-N 357.451 0.149 0 40 FCAB O[C@H]1CCN(CC2(O)CCOCC2)C[C@]1(O)COc1ccc(F)cc1 585288160 YDSVINNZPPNYBG-WMZOPIPTSA-N 355.406 0.544 0 40 FCAB Cc1ccc(C)c(C2=NO[C@@H](C(=O)N3CCS(=O)(=O)CCO3)C2)c1 1518916780 XIXALQRFIMHZGH-OAHLLOKOSA-N 352.412 0.985 0 40 FCAB O=C(N1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1)C1(F)CC1 1614933474 OFUKURQGBUDUET-XJKSGUPXSA-N 351.378 0.522 0 40 FCAB COCCN1C(=O)CC2(CCN(S(=O)(=O)C(C)C)CC2)n2nccc21 1772596207 VNFYYTPIKGSEEF-UHFFFAOYSA-N 370.475 0.796 0 40 FCAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2CCN2CCOCC2)[C@@H]1CNC1CCOCC1 1775964103 RYWQQYLAKJJHTJ-GDAAHCPNSA-N 365.518 0.960 0 40 FCAB biogenic,in-vitro Cn1cnc2c(N3C[C@H]4CN(C(=O)NC[C@H]5CCCO5)C[C@H]4C3)ncnc21 1888890214 KLBLNHSFJMQTMD-HZSPNIEDSA-N 371.445 0.620 0 40 FCAB O=C(CN1C(=O)CCC1=O)N1CC(Cn2cc(Br)cn2)C1 1889116588 QRAKDEHNAWIIJE-UHFFFAOYSA-N 355.192 0.253 0 40 FCAB CC(C)N1CCN(c2ccncc2S(=O)(=O)N2CCOCC2)CC1 4473062 QUCUKBVGXDLKLZ-UHFFFAOYSA-N 354.476 0.633 0 40 FCAB CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(F)cc1 4937016 JBWOXVAWNHRNBS-UHFFFAOYSA-N 371.434 0.560 0 40 FCAB COc1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4943401 NDPKCFOCADDGSD-UHFFFAOYSA-N 357.370 0.471 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@H]1CCOC1=O 6510112 FWGDWTUUQUFXHQ-AWEZNQCLSA-N 369.395 0.488 0 40 FCAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN(C)C)c1=O)CCC3 6759993 JBUOLDXPJBIFNR-UHFFFAOYSA-N 365.455 0.838 0 40 FCAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H](Cc1ccc(O)cc1)C(=O)O 9048504 CBKXZHLXORLJMQ-INIZCTEOSA-N 367.361 0.983 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)NCCCOCc3ccccc3)cnc21 10135654 LABYKJUFNKLALI-UHFFFAOYSA-N 355.398 0.853 0 40 FCAB O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccon1 12069419 ATUKZFUZMDSFRV-UHFFFAOYSA-N 357.414 0.942 0 40 FCAB C[C@H]1CN(CCCNC(=O)Cn2nc(O)c3ccccc3c2=O)C[C@H](C)O1 12752600 OVARFZQNJLIHEQ-KBPBESRZSA-N 374.441 0.718 0 40 FCAB CCCCOC(=O)Cn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 13564346 ZCVTWMVUCPBZPM-UHFFFAOYSA-N 363.418 0.757 0 40 FCAB NC(=O)C1CCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)CC1 13691856 QLIFVTLGZAGQKV-UHFFFAOYSA-N 370.409 0.445 0 40 FCAB CC(=O)N[C@@]12CCN(C)C[C@@H]1CN(S(=O)(=O)c1ccc(F)cc1)C2 19713036 ALQDGXUVAMGDDS-CZUORRHYSA-N 355.435 0.657 0 40 FCAB CNCc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)N2CCCC2)n1 19760799 LWQQVBGQQGQFSA-CQSZACIVSA-N 368.507 0.740 0 40 FCAB CCC(=O)c1ccc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)OC)cc1 25032200 BERLDVVOYWSLOD-CQSZACIVSA-N 362.382 0.548 0 40 FCAB COCCN(Cc1ccco1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 25096968 ZGJRACLSVSLRCZ-UHFFFAOYSA-N 372.381 0.514 0 40 FCAB CN(C)S(=O)(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 26169575 HIYRJKVCTBDKQD-UHFFFAOYSA-N 350.448 0.136 0 40 FCAB COc1cccc(N2C[C@@H](C(=O)NCCn3ncccc3=O)CC2=O)c1 38510208 YVXZUPSKUZHDDW-ZDUSSCGKSA-N 356.382 0.421 0 40 FCAB CN(C)[C@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccco1 40153161 OGUGMNQUCFXZTG-CYBMUJFWSA-N 371.397 0.258 0 40 FCAB O=C(NCCc1nnc2n1CCC2)c1ccc(CN2C(=O)CCC2=O)cc1 42502837 MMCHRUFBHUFDKU-UHFFFAOYSA-N 367.409 0.846 0 40 FCAB O=C(Nc1ccc(-n2cncn2)nc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 48326531 BXZAOOYVADZLCQ-AWEZNQCLSA-N 371.401 0.517 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)NCCC(=O)N1C[C@H](C)O[C@H](C)C1 53668162 VSXDRUXCFLLXDG-PHIMTYICSA-N 358.464 0.341 0 40 FCAB Cc1cccc(N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1C 57435573 MQFGJSPSIOLIOK-MRXNPFEDSA-N 365.499 0.729 0 40 FCAB O=C(CCNS(=O)(=O)c1ccccc1)NCCC(=O)NC1CCCC1 58197377 VCWCPVTZVQLKEB-UHFFFAOYSA-N 367.471 0.920 0 40 FCAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H](C(N)=O)C2)C1=O 61581148 SOXQHXDWRQTPFH-XIKOKIGWSA-N 358.398 0.178 0 40 FCAB O=C(c1c[nH]c(=O)cn1)N1CCc2nnc(CCc3ccccc3)n2CC1 67678477 YDXAVNRIAZRTJS-UHFFFAOYSA-N 364.409 0.845 0 40 FCAB COCC(=O)N1CCC2(CC1)O[C@H](C(=O)NCC1CC1)Cn1ccnc12 96243626 JJXLXLPZJRMPPX-AWEZNQCLSA-N 362.430 0.272 0 40 FCAB O=S(=O)(NC[C@H](O)CN1CCOCC1)c1cc(Cl)ccc1Cl 97008265 FMVBLZMHBCSJTN-NSHDSACASA-N 369.270 0.965 0 40 FCAB O=C(COC(=O)CCn1ccc(=O)[nH]c1=O)Nc1ccc(F)c(F)c1F 223809415 FQUHUFGZRIFJHN-UHFFFAOYSA-N 371.271 0.526 0 40 FCAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3CCNS(C)(=O)=O)n1 248069134 FTZAXIJCJDFMIJ-ZDUSSCGKSA-N 353.444 0.560 0 40 FCAB COc1ncc(CN2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 257308708 TXUCURFHPKMWNQ-LBPRGKRZSA-N 351.432 0.991 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)COc2cccc(N(C)C)c2)CCN1C(C)C 257322737 WHENBNIJWLBJAG-QGZVFWFLSA-N 362.474 0.799 0 40 FCAB CN1CC2(CCN(C(=O)c3ccncc3)CC2)c2ncncc2S1(=O)=O 306141634 WCQGFPYOQDAVKC-UHFFFAOYSA-N 373.438 0.680 0 40 FCAB CC(C)n1ncc2cc(S(=O)(=O)N[C@H]3CC(=O)N(C)C3=O)ccc21 329305374 XNPBVFCKNZMSOZ-LBPRGKRZSA-N 350.400 0.653 0 40 FCAB CC1CCN(C[C@@H]2OC[C@H](NS(=O)(=O)c3ccsc3)[C@H]2O)CC1 514289624 XBKGRVBYMLGGIT-SOUVJXGZSA-N 360.501 0.887 0 40 FCAB biogenic,in-vitro Cn1ncnc1[C@@H]1COCCN1C(=O)CCc1nncn1-c1ccccc1 585081156 FILUTSAYLOIJRM-HNNXBMFYSA-N 367.413 0.929 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCO[C@](C)(C3CC3)C2)C1 661180997 KGFXIBBKJQVYBR-ZBFHGGJFSA-N 374.507 0.468 0 40 FCAB Nc1nc(NC2CC2)c2ncn([C]3C=C[C@@H](COS(=O)(=O)O)C3)c2n1 1560407641 IVWUPHVOUAZEAZ-MRVPVSSYSA-N 365.395 0.758 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)NCc2ccco2)(n2ccnc2)CC1 2055713511 YNHQPGURVSHJFN-UHFFFAOYSA-N 366.443 0.933 0 40 FCAB O=C(c1cc[nH]n1)N1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)CCO2 2055785296 RIDKDBWKWLUBNY-GFCCVEGCSA-N 368.459 0.645 0 40 FCAB CC(=O)Nc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1 1361368 FKHXAVRGKISSIW-UHFFFAOYSA-N 362.415 0.572 0 40 FCAB COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1-n1cnnn1 4770398 YYCNJWQRJMLXIL-UHFFFAOYSA-N 353.404 0.854 0 40 FCAB C[C@H](C(=O)NCCN(C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 10111683 IKPIFHXQQJYJLH-GFCCVEGCSA-N 371.459 0.290 0 40 FCAB Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1F 12900092 QEDNEUOKQDXCPC-NWDGAFQWSA-N 354.403 0.790 0 40 FCAB COCCNC(=O)c1ccccc1NC(=O)C(=O)NCCCn1ccnc1 13730493 FCCOTXGWVZDUOZ-UHFFFAOYSA-N 373.413 0.404 0 40 FCAB CCN1C(=O)N(CC)[C@@H]2OC(C3O[C@@H]4[C@@H](O3)N(CC)C(=O)N4CC)O[C@@H]21 18284389 IXHKDTATVZWBHC-USYLUROPSA-N 370.406 0.591 0 40 FCAB O=C(c1cnccn1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24061218 FWJAPWIHLRGKMG-UHFFFAOYSA-N 350.382 0.671 0 40 FCAB COCCCNC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209419 ASHRBMQPFQYZII-CQSZACIVSA-N 354.428 0.827 0 40 FCAB COC[C@@H](C)NC(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 31451369 JZKTWNDMQFOQEP-MRVPVSSYSA-N 374.319 0.265 0 40 FCAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2CCN(C)CC2)cc1 35311564 VTFVTAWCHROVMR-AWEZNQCLSA-N 368.503 0.949 0 40 FCAB Cc1nn(C)c(Cl)c1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 39559592 PIBNOJMZEHPIQE-UHFFFAOYSA-N 362.777 0.920 0 40 FCAB O=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)NCC2CC2)c1 48343532 XVDRJUOIEMIZNQ-UHFFFAOYSA-N 367.471 0.437 0 40 FCAB COc1ccc(CNC(=O)Cn2nc(N3CCOCC3)ccc2=O)cc1 49545447 MPLLARVESGKDPU-UHFFFAOYSA-N 358.398 0.405 0 40 FCAB C[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)N1CCCC1 58193471 YBJAIHOPJSZGCR-JTQLQIEISA-N 353.400 0.307 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(Br)cc3O)CC2)N1 58193518 HRCHBZMPSIFTKL-UHFFFAOYSA-N 368.187 0.969 0 40 FCAB COC(=O)CN(C)S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 89340031 AEZBDSBGVPUTGG-UHFFFAOYSA-N 359.356 0.053 0 40 FCAB CC[C@@H](C)[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(N)=O 89942174 KSRUENRNYILXKD-RNCFNFMXSA-N 362.473 0.806 0 40 FCAB CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)N1CCN(C)CC1 96113039 YEIRIXSFKTYSTO-DLBZAZTESA-N 362.449 0.851 0 40 FCAB biogenic,in-vitro CN(C)CCNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]1O2 96253150 WNSMBIKIFXYYKM-VNQPRFMTSA-N 367.471 0.142 0 40 FCAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)no1 102539762 ARNOEZHGRGUZCG-FCIDVOKBSA-N 361.354 0.496 0 40 FCAB Cc1cccc(OC[C@@]2(CNC(=O)c3cc(C)nn3C)C[C@H](O)[C@H](O)C2)n1 107430232 NHPDVKVITKNENL-HGKCTWBKSA-N 374.441 0.743 0 40 FCAB biogenic,in-vitro Cc1nnc(N2CC3(CC[C@H](CNS(=O)(=O)C4CC4)CO3)C2)s1 248025804 NLSKEONNPIOWJG-LLVKDONJSA-N 358.489 0.914 0 40 FCAB CO[C@H](CS(=O)(=O)Nc1cn(C)nc1C(N)=O)c1ccc(F)cc1 530137674 JZYLAGUSWGWWLZ-GFCCVEGCSA-N 356.379 0.788 0 40 FCAB COc1cccc([C@@H](NS(=O)(=O)c2cnc3n2CCC3)C(=O)O)c1 547882921 REQHPNRSPJDTFG-CQSZACIVSA-N 351.384 0.942 0 40 FCAB Cc1cnc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCOCC2)cn1 585097581 MUSOWXPDWLZEKU-OAHLLOKOSA-N 356.430 0.728 0 40 FCAB CN(C)C(=O)COn1c(SCC(=O)N(C)C)nc2ccccc2c1=O 2393523 HCAJWNJRLIXXSL-UHFFFAOYSA-N 364.427 0.094 0 40 FCAB CN(C(=O)COC(=O)c1ccc(Cl)cc1O)[C@@H]1CCS(=O)(=O)C1 3369057 IUOBMCCGUOPBEF-SNVBAGLBSA-N 361.803 0.848 0 40 FCAB CC(=O)Nc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCCO)[C@@H]4C2=O)cc1 8880016 IAWVTGHGKLSNCG-GGXPGOJBSA-N 371.393 0.040 0 40 FCAB biogenic Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1ccc(C(N)=O)cc1 11927735 DYXGPTPRAWNSKK-UHFFFAOYSA-N 371.397 0.402 0 40 FCAB Cc1cccc(N2CCN(CC(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2)c1 12522702 WTWFKHAUMYITRG-SFHVURJKSA-N 365.499 0.810 0 40 FCAB CN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 12899711 CMCOIROYZUFTGS-LBPRGKRZSA-N 363.439 0.891 0 40 FCAB Cc1ccc(=O)n(CC(=O)N2CC(C(=O)N(C)CCc3ccccn3)C2)n1 19748719 WYHVXIBRRRRFAH-UHFFFAOYSA-N 369.425 0.106 0 40 FCAB COc1ccc(-c2nc(CC(=O)NCC(=O)NCC(=O)O)cs2)cc1 20722648 FCZIJSOKVIWLRZ-UHFFFAOYSA-N 363.395 0.678 0 40 FCAB O=C(NCCN1CCOCC1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 22664540 XUDJKPPNFNRUPU-AWEZNQCLSA-N 350.394 0.562 0 40 FCAB CCOc1ccc(Cc2n[nH]c(NCCN3CCOCC3)nc2=O)cc1 22996391 JZPUVERVMNUHBE-UHFFFAOYSA-N 359.430 0.899 0 40 FCAB COC(=O)Cn1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2 36360079 GNIINTWVBWGHSI-UHFFFAOYSA-N 367.159 0.969 0 40 FCAB COC(=O)c1ccc(C)c(O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 40051897 NSFHPCBZKIPQFQ-WCQYABFASA-N 355.412 0.852 0 40 FCAB CS(=O)(=O)N[C@H]1CCCN(CC(=O)N2CCCc3ccccc32)C1 41621403 PGNVQSSBRANEHG-HNNXBMFYSA-N 351.472 0.979 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2C(=O)O)cc1 71286534 NTEKAWWGZBTONH-UHFFFAOYSA-N 362.407 0.934 0 40 FCAB CCN1C(=O)[C@H]2CN([C@@H]3CCN(c4ccccc4F)C3=O)CCN2C1=O 75106003 LOWXQZDJABLOFV-HUUCEWRRSA-N 360.389 0.899 0 40 FCAB CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 84208316 UIRVYEXLROZEAU-CQSZACIVSA-N 371.441 0.830 0 40 FCAB CCN1CCC[C@@H]1CNC(=O)Cn1ccc2c(cnc3ccnn32)c1=O 95477650 OVNHVGZJGBURRN-CYBMUJFWSA-N 354.414 0.645 0 40 FCAB COC(=O)c1nnn(CC(=O)c2ccc(OC)c(OC)c2)c1C(=O)OC 98211147 XULGJFLYDRVIEO-UHFFFAOYSA-N 363.326 0.751 0 40 FCAB O=C([C@@H]1COC2(CN(Cc3ccccn3)C2)CN1CC1CC1)N1CCCO1 247874599 SMXWUAHRAUZSKT-SFHVURJKSA-N 372.469 0.911 0 40 FCAB O=C(N[C@@H]1C[C@H](O)[C@@H](N2CCc3ccccc3C2)[C@@H]1O)c1ccccn1 257279715 OHWFCUIHXDPPES-FCGDIQPGSA-N 353.422 0.732 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cc(-c3ccnn3C)ncn2)C1 257308350 TWKOVJYONDACMB-CYBMUJFWSA-N 364.475 0.938 0 40 FCAB CCc1nc2ccccc2n1CC(=O)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257314235 UVYWUWSUKFYIRB-WRWLIDTKSA-N 372.469 0.939 0 40 FCAB CN(C)S(=O)(=O)N1CCO[C@@H](c2n[nH]cc2-c2ccnc(N)c2)C1 585260847 CJWYTOWXGXUPGC-GFCCVEGCSA-N 352.420 0.234 0 40 FCAB C[C@H](CC(=O)O)N1CCN(C(=O)CN2C(=O)CCc3ccccc32)CC1 630225559 RVXBXXYZLHXVRH-CQSZACIVSA-N 359.426 0.973 0 40 FCAB CN(C)S(=O)(=O)N1CCN(c2nccn3nc(C4CC4)cc23)CC1 631054128 LZTSTZYVCLCGEK-UHFFFAOYSA-N 350.448 0.535 0 40 FCAB Cc1nnc2n1C[C@H](C(=O)NCCOc1ncccc1Cl)N(C)C2 644387408 FEZGMOSJWHMOIV-GFCCVEGCSA-N 350.810 0.644 0 40 FCAB CC(=O)N1CCC(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1 1542656172 WHGUMXTWSUNZOC-MRXNPFEDSA-N 350.463 0.186 0 40 FCAB O=C(CCc1cncnc1)N1CCOC[C@@]2(C[C@@H](Cn3ccnc3)CO2)C1 1565546922 GZQQZDNFPMIRBX-PKOBYXMFSA-N 371.441 0.940 0 40 FCAB Cc1nc(C(=O)N2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)cs1 1565552576 NRWWPPFCYSZLEH-GJZGRUSLSA-N 373.438 0.997 0 40 FCAB CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)[C@H]2C[C@H]2c2ccccc2)C1 1616028938 MDLMZHYVYUNDMD-KKUMJFAQSA-N 358.485 0.886 0 40 FCAB CC(C)(C(N)=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2ncccn2)C1 1736104843 YLOBPRLESLLOBC-QWHCGFSZSA-N 361.446 0.322 0 40 FCAB Cn1cnc2c(N3C[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]4C3)ncnc21 1888909647 UXZAAVMNVXHKFG-ZIAGYGMSSA-N 362.393 0.985 0 40 FCAB O=S(=O)(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)N2CCCC2)c1 1333251 IEWXZIRUNGXKAC-ZDUSSCGKSA-N 374.484 0.928 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)COc2ccccc2)cc1 3313475 LGCXADOYAZXOGZ-UHFFFAOYSA-N 364.379 0.895 0 40 FCAB C[C@@]1(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)CCS(=O)(=O)C1 5324916 ZSQBIFPMKIBILG-GFCCVEGCSA-N 352.334 0.561 0 40 FCAB CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(Cl)cn2)C1=O 6542178 PPRIZCUHRRNYCL-UHFFFAOYSA-N 354.750 0.547 0 40 FCAB Cc1c(CC(=O)N(CCO)CCO)c(=O)oc2cc(O)c(Cl)cc12 9303069 BVOVJMISDLGZTP-UHFFFAOYSA-N 355.774 0.816 0 40 FCAB CCCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 9754417 PQTIBZSXXOVVSC-LBPRGKRZSA-N 355.460 0.890 0 40 FCAB Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](C)C(=O)O)ccc12 12900450 PAZDWXRCHZQMKK-JTQLQIEISA-N 362.338 0.186 0 40 FCAB biogenic Cn1nnc2c(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ncnc21 13532696 VOZJFWVMYYZUJP-UHFFFAOYSA-N 355.377 0.789 0 40 FCAB CCOC(=O)CSCc1csc2nc3c(c(=O)n(C)c(=O)n3C)n12 15080263 GCZHEITWHIGIFK-UHFFFAOYSA-N 368.440 0.743 0 40 FCAB O=C(O)CNC(=O)CNC(=O)Cn1ccc2cc(Br)ccc21 20760890 ORTDOUPBAVCQFG-UHFFFAOYSA-N 368.187 0.721 0 40 FCAB biogenic COc1ccc(C)cc1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 22915481 XMPKJOXKCXLXPF-UHFFFAOYSA-N 360.458 0.838 0 40 FCAB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)c1 32912520 AHTZJRZLXSMGQH-AAEUAGOBSA-N 367.379 0.410 0 40 FCAB Cc1cc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)no1 40087817 NTMGIJZFKNZJSE-ZDUSSCGKSA-N 371.397 0.824 0 40 FCAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(-n3cncn3)nc1)CS2 40108115 ZOGTVXNRZNPHHX-BLLLJJGKSA-N 358.427 0.733 0 40 FCAB COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1S(=O)(=O)N1CCOCC1 44804360 XWWXWYVIQTZLME-UHFFFAOYSA-N 367.383 0.804 0 40 FCAB C[C@H](C(=O)N1CCCCC1)S(=O)(=O)Cc1nnnn1-c1ccccc1 46117381 IMWKRLVDOHQSCU-CYBMUJFWSA-N 363.443 0.978 0 40 FCAB COc1ccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)cc1Cl 55246049 LTJUKUNEVLWKRJ-UHFFFAOYSA-N 362.835 0.909 0 40 FCAB CC(C)CCO[C@H](C)C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 58004122 AKZVKNMTHYGQMJ-RBSFLKMASA-N 364.508 0.993 0 40 FCAB CCOc1cccc([C@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 58180043 BNZBHTVURIEHKL-NSHDSACASA-N 367.427 0.522 0 40 FCAB CCC[C@H](C(=O)NCC(=O)N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 72308052 VZYRKYGAVGEZRV-CQSZACIVSA-N 370.494 0.912 0 40 FCAB COc1ccccc1CC(=O)NCCn1nc(-n2ccnc2)ccc1=O 75163019 UNDYAHDGKNNVQC-UHFFFAOYSA-N 353.382 0.797 0 40 FCAB CCS(=O)(=O)N1CCOC[C@@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 96051323 XYQFAAGBDSAHEL-INIZCTEOSA-N 372.418 0.610 0 40 FCAB O=c1[nH]c2cc(S(=O)(=O)N3CC[C@H](Oc4cnccn4)C3)ccc2o1 225797427 BRSLHFMABCAQEB-JTQLQIEISA-N 362.367 0.753 0 40 FCAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](n2cc(F)c(O)nc2=O)[C@@H](O)[C@@H]1O 257270647 MVBSGWIPYHGSRI-GWOFURMSSA-N 359.354 0.038 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)N1CCOC[C@@H]1CCc1cnccn1 257272302 NBWZECIWHHPDOS-AWEZNQCLSA-N 351.432 0.541 0 40 FCAB CCNC(=O)N1CCN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 332317395 IVMNTTZVSHESJG-CYBMUJFWSA-N 359.430 0.707 0 40 FCAB CC(C)CC(=O)N1CC2(C1)CN(C)[C@H](C(=O)NCC1CCOCC1)CO2 575405938 VHYRHWBCWAINOE-INIZCTEOSA-N 367.490 0.487 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)n1 585104293 YHGVLSAGCZCAPF-CQSZACIVSA-N 372.429 0.943 0 40 FCAB COC[C@]1(C(N)=O)CCCN1Cc1cccc(S(=O)(=O)N(C)C)c1 643822022 JRNGGSSEOTWFDK-INIZCTEOSA-N 355.460 0.403 0 40 FCAB O=C(c1cnnn1Cc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 671631484 UCEMPERUTZTGQJ-QGZVFWFLSA-N 369.425 0.790 0 40 FCAB CO[C@H]1C[C@@H](CN(C)C)N(c2cc(N3CC(n4ccnc4)C3)ncn2)C1 685942921 UCPLMNIBUNAWRQ-HOCLYGCPSA-N 357.462 0.890 0 40 FCAB C=CC(=O)N1CCC(C(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)(c2ccccc2)CC1 1596717720 WAQMBHRDLGAUFD-BJWYYQGGSA-N 358.438 0.733 0 40 FCAB Cn1cnc2c1CCN(C(=O)CCc1cncnc1)[C@@H]2CN1CCOCC1 1614938165 XSOPZQUJDRLQSX-QGZVFWFLSA-N 370.457 0.601 0 40 FCAB Cc1cc(N2CCOCC2)nc(N2CCN(CC(=O)N3CCCC3)CC2)n1 1889116990 YVPSBRNTZQQZMA-UHFFFAOYSA-N 374.489 0.366 0 40 FCAB O=S1(=O)CCC(CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)CC1 1889122744 XLWFHRYXPIOYOF-CYBMUJFWSA-N 350.506 0.357 0 40 FCAB CN(C1CCN(c2ncnc3c2cnn3C)CC1)S(=O)(=O)C1CC1 2086889383 QCRLOVQDRGQNOG-UHFFFAOYSA-N 350.448 0.756 0 40 FCAB CCc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 785611 FYUQMFJIABWRNO-UHFFFAOYSA-N 367.471 0.739 0 40 FCAB COC(=O)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 4371001 NPCVTGKEKCGVBG-UHFFFAOYSA-N 371.397 0.243 0 40 FCAB CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc12 6225062 RFJFHCKYFVWREP-LBPRGKRZSA-N 363.322 0.778 0 40 FCAB biogenic Cc1ccc(S(=O)(=O)NNc2nc(N(C)C)nc(N(C)C)n2)cc1 6487522 VSAKIAMEMKLOLF-UHFFFAOYSA-N 351.436 0.617 0 40 FCAB O=C(Cn1cnnn1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 7989485 OXOAACBHNVGUQY-LBPRGKRZSA-N 369.385 0.117 0 40 FCAB O=C(Cn1nnnc1-c1ccc(Br)cc1)N1CCOCC1 8297630 HLTYUSLRBCPZHO-UHFFFAOYSA-N 352.192 0.961 0 40 FCAB O=C(NCCCn1ccnc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059601 ABEBEBYVYIBDCU-CYBMUJFWSA-N 354.418 0.972 0 40 FCAB CN(C)C(=O)CN1C(=S)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]21 9422009 IZXKEFFVCSWISA-STQMWFEESA-N 353.469 0.347 0 40 FCAB NC(=O)[C@H](OC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1 10913624 UNJZGTSLPQWWHY-OAHLLOKOSA-N 353.334 0.460 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(-n3cnnn3)c2)cc1 12323567 CNHQGJOYDGMYQR-UHFFFAOYSA-N 372.410 0.282 0 40 FCAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CC(N)=O)cc1OC 20738150 OWYFGESUVMWHRX-UHFFFAOYSA-N 372.381 0.208 0 40 FCAB C[C@H](c1ccccc1)n1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 23115304 QOGZLIGCFZILGS-CYBMUJFWSA-N 369.425 0.880 0 40 FCAB CC(=O)Nc1cccc(NCC(=O)N2CCN(S(C)(=O)=O)CC2)c1C 23145784 KSBCODZXXGETKN-UHFFFAOYSA-N 368.459 0.469 0 40 FCAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 23519140 MDEHRABDIHLPIQ-UHFFFAOYSA-N 363.395 0.511 0 40 FCAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1C[C@@H](C)O[C@H](C)C1 23989835 XOSRAYBNSJPHRT-CHWSQXEVSA-N 374.445 0.104 0 40 FCAB C[C@H](Cn1cccn1)NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 24807118 IWGANNVFLZMYNQ-GFCCVEGCSA-N 361.427 0.517 0 40 FCAB NC(=O)[C@H]1CCCN1C(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O 32124355 VPIQOYZRAHSQBN-OAHLLOKOSA-N 372.425 0.727 0 40 FCAB biogenic O=C(CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NC1CC1 32902645 GMDZFXQLSOVRKB-HNNXBMFYSA-N 365.455 0.625 0 40 FCAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCCN2CCOCC2)c1 36332554 HQOABSMPQJQFEI-UHFFFAOYSA-N 355.460 0.389 0 40 FCAB COC(=O)c1c(NC(=O)CN2CCNC(=O)C2)sc2c1CCCC2 57644985 KSKCWJCGLGZEGQ-UHFFFAOYSA-N 351.428 0.784 0 40 FCAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccn[nH]2)c2ccccc2)CC1 61717544 FPTFSCRCNYQXLA-HNNXBMFYSA-N 356.430 0.453 0 40 FCAB CC(=O)N1CCN(C(=O)Cn2ncc3c4oc(C)cc4n(C)c3c2=O)CC1 72335343 ZSUKMYZIJHNJDW-UHFFFAOYSA-N 371.397 0.480 0 40 FCAB CC1(C)C[C@@H](NC(=O)[C@H]2CCCN(c3ccc4nnnn4n3)C2)CCO1 95474912 XJRFCQROCVMSNF-STQMWFEESA-N 359.434 0.810 0 40 FCAB Cn1cncc1CN1CCOC[C@@]2(C[C@H](CNc3ncccn3)CO2)C1 96240500 FTBQGUBZZMAKGK-CRAIPNDOSA-N 358.446 0.930 0 40 FCAB O=C(Nc1cccc(F)c1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 97162149 VERIXCGMDKEBDH-UHFFFAOYSA-N 354.367 0.482 0 40 FCAB Cc1cc(C(=O)N2CCC[C@@](O)(CN3CCOCC3)CC2)nc(O)n1 257211992 CBLMSPQAFSDEGP-KRWDZBQOSA-N 350.419 0.180 0 40 FCAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)CCCn1cccn1 257251756 JSBYQQCOMWBXFH-GOSISDBHSA-N 358.446 0.943 0 40 FCAB Cc1cc(OCC2CCN(S(=O)(=O)N3CCOCC3)CC2)ncn1 1565519712 XKVZOKQKASYVIV-UHFFFAOYSA-N 356.448 0.453 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@H]2OCCN(CCN3CCCC3)[C@@H]2CC1 1565550558 CTNWSDFUXOTXSP-ZRSRNVLSSA-N 363.502 0.666 0 40 FCAB COc1ccc(CN/C=C2/C(=O)N(C)S(=O)(=O)N=C2C)cc1OC 1775977647 JFTPULFFDJTKOZ-FMIVXFBMSA-N 353.400 0.855 0 40 FCAB O=S(=O)(c1ccc(OC[C@H](O)CN2CCCC2)cc1)N1CCOCC1 3211781 FYJTUOKFKFJZER-OAHLLOKOSA-N 370.471 0.543 0 40 FCAB O=C(Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO)O1)c1ccccc1 4529117 PIXHJAPVPCVZSV-AVGNSLFASA-N 355.354 0.719 0 40 FCAB CNC(=S)N1CCN(C(=O)/C(=C/c2ccc(F)cc2)NC(C)=O)CC1 5000425 RBBZHRXJZMNVTI-PTNGSMBKSA-N 364.446 0.951 0 40 FCAB Cc1cc(C)c(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c(=O)[nH]1 7118609 FITAKRGLTCFOJK-UHFFFAOYSA-N 360.414 0.863 0 40 FCAB O=C(NCc1ccco1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 8298553 KPUMDYCVWZVXFO-UNEWFSDZSA-N 359.430 0.433 0 40 FCAB biogenic,in-vitro Cn1cnc2c1c(=O)n(CC(=O)N1CCc3ccccc3C1)c(=O)n2C 8395269 NUGUAFNGLJNBMI-UHFFFAOYSA-N 353.382 0.019 0 40 FCAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)[C@H]1CCS(=O)(=O)C1 12366185 HHYOVBCGCUVLRH-GJZGRUSLSA-N 352.456 0.773 0 40 FCAB O=C(NCCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccco1 12737598 ULLKPBWXNANAMJ-UHFFFAOYSA-N 352.368 0.759 0 40 FCAB O=C(NCCc1ccc(N2CCCC2)cc1)C(=O)NCCN1CCOCC1 17155775 SKKVOIMUJFEGTR-UHFFFAOYSA-N 374.485 0.394 0 40 FCAB CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(S(=O)(=O)N(C)C)C1 19696238 PHGQJUZOQSGJGQ-OAHLLOKOSA-N 358.464 0.585 0 40 FCAB COC(=O)CCNC(=O)c1cc(Br)ccc1-n1cnnn1 20728872 XVXOPFZUFMAZFP-UHFFFAOYSA-N 354.164 0.718 0 40 FCAB CCOC(=O)[C@H]1CSCCN1C(=O)CNC(=O)Cc1ccccc1 40062236 QWTKQFTZBOVGPH-CQSZACIVSA-N 350.440 0.852 0 40 FCAB Cc1csc(-n2nnc(C(=O)N3CCN(S(C)(=O)=O)CC3)c2C)n1 56933683 AONXFWSAWSEHRW-UHFFFAOYSA-N 370.460 0.058 0 40 FCAB Cc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3n[nH]nc23)cc1 62022652 BFIGSNNLXWZYNH-UHFFFAOYSA-N 354.418 0.914 0 40 FCAB O=C(Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN12)NC1CC1 72348104 QXSLBKXPOAYQIE-UHFFFAOYSA-N 358.789 0.546 0 40 FCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1ccc(O)cc1 72400960 JDESSFCVQOSPPK-UHFFFAOYSA-N 356.386 0.653 0 40 FCAB CCN1CCO[C@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 81400275 AKOMDIYWIVKMJC-IBGZPJMESA-N 361.486 0.980 0 40 FCAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccn(C)c1=O 95959733 XGCFZCCTYBZKAW-UHFFFAOYSA-N 364.427 0.761 0 40 FCAB O=S(=O)(c1ccc(F)cc1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257311902 ULMSMVKDCGFRSF-HOTGVXAUSA-N 358.435 0.672 0 40 FCAB CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)c3ccccc3)C2)C1 514290251 VQXTUKDTWWHVCB-DLBZAZTESA-N 357.454 0.815 0 40 FCAB biogenic,in-vitro O=C(NCc1nnc2ccc(C(F)(F)F)cn12)NC[C@@H]1COCCN1 529288449 FHHXVGXPPNDGMF-SNVBAGLBSA-N 358.324 0.536 0 40 FCAB O=C(Cc1cnn(-c2ccccc2)n1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 530058193 ICGXNPOTJGJUPM-CVEARBPZSA-N 360.439 0.988 0 40 FCAB O=C(CC1CC1)NC[C@H]1CO[C@@H]2CN(S(=O)(=O)C(F)(F)F)C[C@H]12 575403965 JPHOJFUHBSDVFX-HBNTYKKESA-N 356.366 0.699 0 40 FCAB O=C(NCc1ccco1)[C@@H]1C[C@H]2CCN(C(=O)[C@H]3[C@H]4COC[C@H]43)C[C@@H]2O1 1565543535 URXJWZMKYMCMPU-LLDYLOADSA-N 360.410 0.794 0 40 FCAB O=C(N1CCO[C@@]2(COCCN(c3ncccn3)C2)C1)C1(F)CCC1 1565545332 FPNKJZBZAOTMPR-INIZCTEOSA-N 350.394 0.803 0 40 FCAB O=C(CCc1cncnc1)N1CCc2ncc(CN3CCOCC3)n2CC1 1565546794 KIZVBHUHCGTCIV-UHFFFAOYSA-N 370.457 0.523 0 40 FCAB O=C(c1nc[nH]n1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888853720 YMJWLSDGNBJBKE-DTORHVGOSA-N 353.308 0.822 0 40 FCAB CC(C)NC(=O)[C@@H]1C[C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C[C@H]2O1 2055719492 TVILNEOUWVYKIM-RWMBFGLXSA-N 356.448 0.113 0 40 FCAB Nc1cc(S(=O)(=O)O)ccc1-n1n2c3ccc(S(=O)(=O)O)cc3n12 4235310 VIXHUCRZLPJRLE-UHFFFAOYSA-N 370.368 0.496 0 40 FCAB biogenic CC(=O)Cn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)c(C)n23)n(C)c1=O 4314312 MVHJYLKJUGXIDY-CYBMUJFWSA-N 373.413 0.534 0 40 FCAB CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 8508053 ZSDNUKMSCANCBI-ZDUSSCGKSA-N 371.459 0.348 0 40 FCAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc(N)nc(N)n2)CC1 11233323 IAVCFGQZOXMJMJ-MRVPVSSYSA-N 354.436 0.318 0 40 FCAB O=C(O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Br)cc1 13028265 RQUOJYKFYLJFIX-WPRPVWTQSA-N 350.190 0.658 0 40 FCAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ccc(C(N)=O)cc1 16114100 STIFLVSCZNQXTN-UHFFFAOYSA-N 364.379 0.799 0 40 FCAB COc1ccc(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 16376777 QOMVFKCAXYWMAD-ZDUSSCGKSA-N 356.444 0.439 0 40 FCAB CC(C)CN(CC(=O)NCC1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 40071629 VCEXTMZAPJTLJS-UHFFFAOYSA-N 365.478 0.763 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2ccc(OCC(=O)C3CC3)cc2)CC1 44227417 JWVFBKSSNSNZRM-UHFFFAOYSA-N 366.439 0.762 0 40 FCAB O=C(NCCN1CCOCC1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 46121267 MXOJPTOXOUPPQX-SFHVURJKSA-N 359.470 0.916 0 40 FCAB O=C(NCCc1ccccc1)[C@@H](O)[C@H](O)C(=O)NCCc1ccccc1 60220769 FUMNLSKJVNMPBV-ROUUACIJSA-N 356.422 0.426 0 40 FCAB Cc1nc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(-n2cccn2)n1 85471893 QTABIUQFNWYWFV-UHFFFAOYSA-N 358.383 0.870 0 40 FCAB COC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 95970338 TXLYHDFYWMZRHS-LBPRGKRZSA-N 370.427 0.500 0 40 FCAB CC1(C)CC(=O)Nc2ccc(S(=O)(=O)NCCN3CCOCC3)cc21 96183416 FKGWIKJFWZLYNV-UHFFFAOYSA-N 367.471 0.917 0 40 FCAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217466266 OPICRQOFCVNZJA-LBPRGKRZSA-N 358.416 0.900 0 40 FCAB O=C(Cn1cccn1)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257313726 UTVVBDMTCFPHIZ-IRXDYDNUSA-N 354.410 0.564 0 40 FCAB O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CCC[C@H]1Cn1ccnc1 269783685 PGMKRTSRWJTSJY-KBPBESRZSA-N 351.432 0.894 0 40 FCAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CC)CC2)cc1 408625693 UAVLYRBEHJMYRW-AWEZNQCLSA-N 369.487 0.916 0 40 FCAB CO[C@@H]1COC[C@@H](CNC(=O)c2cccc(OCCN(C)C)c2)[C@@H]1O 643585609 USPKIZDAHKQSGJ-OIISXLGYSA-N 352.431 0.379 0 40 FCAB COCCNC(=O)c1cnc2n1C[C@@H](NC(=O)CC1(OC)CCC1)CC2 1565556426 HTZYPHIBVFYLEX-ZDUSSCGKSA-N 364.446 0.650 0 40 FCAB Cc1cc(N2CCN(CC(=O)N3CCCC3)CC2)nc(N2CCOCC2)n1 1889116973 LOWKGDILHKQWKH-UHFFFAOYSA-N 374.489 0.366 0 40 FCAB Cc1nc(N2CCN(c3ccc4nncn4n3)CC2)cc(-n2cccn2)n1 1889211634 BXTDKADCESWNSZ-UHFFFAOYSA-N 362.401 0.735 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)O)n2CCc1ccccc1 820823 CBEAHRIXZQTTPK-UHFFFAOYSA-N 360.395 0.843 0 40 FCAB O=C(NC1=NCCS1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3418107 XGXWQBIRJYNKKR-UHFFFAOYSA-N 373.431 0.679 0 40 FCAB NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 3885875 NBHPCRXRJNRGCW-UHFFFAOYSA-N 350.853 0.521 0 40 FCAB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 6890162 FJNNJDPDNZPCPN-LICLKQGHSA-N 361.379 0.813 0 40 FCAB CC(=O)N1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)Oc2ccccc21 7990367 BSAIGJIBYNTGOM-KRWDZBQOSA-N 367.409 0.939 0 40 FCAB O=C(Cc1ccccc1)NCC(=O)N1CCC2(CC1)NCCc1nc[nH]c12 8744055 IKQWZSCBJXVBDN-UHFFFAOYSA-N 367.453 0.732 0 40 FCAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 12923047 CWQRHYFALJNYGM-GFCCVEGCSA-N 362.473 0.784 0 40 FCAB COC(=O)c1sccc1NC(=O)C(=O)NCCCN1CCOCC1 13684342 YNOZPCDTHPPIML-UHFFFAOYSA-N 355.416 0.312 0 40 FCAB O=C(NCCCN1CCOCC1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 22664550 LBMABBVXUXPKIO-HNNXBMFYSA-N 364.421 0.953 0 40 FCAB COc1ccc2c(ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c1 32123910 XZXOAEZZMLZWPJ-CYBMUJFWSA-N 362.386 0.668 0 40 FCAB biogenic CCCS(=O)(=O)N[C@@H](C)C(=O)NCc1cccnc1N1CCOCC1 42494993 KUSYHHSFPNCYFN-ZDUSSCGKSA-N 370.475 0.252 0 40 FCAB C[C@H](CN1CCCC1=O)NC(=O)NCc1ccc(S(C)(=O)=O)cc1 57016218 BJPROSKKNJDIIQ-GFCCVEGCSA-N 353.444 0.900 0 40 FCAB CCc1[nH]c(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c(C)c1C(=O)OC 58201526 INXXRJJTTIAFMG-NSHDSACASA-N 351.403 0.649 0 40 FCAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 100054154 OWLWVHQPNQOEEB-ZJUUUORDSA-N 366.171 0.829 0 40 FCAB CN1C(=O)[C@H](NC(=O)C(=O)NC[C@H](O)c2ccccc2)c2ccccc21 101451238 PTKAWFPSNVPTMS-JKSUJKDBSA-N 353.378 0.670 0 40 FCAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N1CCOCC1 217509318 CWHRLCGYKUURKJ-UHFFFAOYSA-N 372.443 0.926 0 40 FCAB O=C(Cn1nnc2ccccc21)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390832446 ZMUYGAMLPHQIRD-GFCCVEGCSA-N 363.385 0.264 0 40 FCAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(COC(C)=O)C=C[C@H]2O1 409304223 KPMITKPEJOUTFF-GPINWOSQSA-N 371.345 0.849 0 40 FCAB COc1ccc(C(=O)NCCOCCN2C(=O)CCC2=O)c(OC)c1 575619031 FURNTGBKLLBMSL-UHFFFAOYSA-N 350.371 0.599 0 40 FCAB Cc1nccn1CC(=O)N1C[C@@H](O)[C@H](Oc2ccc(CC(=O)O)cc2)C1 585261674 PQUBTPHTVMGAJP-HZPDHXFCSA-N 359.382 0.469 0 40 FCAB CN(C)C1(CNC(=O)CN2CCCC[C@@H](O)C2=O)Cc2ccccc2C1 644366131 BPMRUPYCRAKOKZ-QGZVFWFLSA-N 359.470 0.575 0 40 FCAB CC(=O)Nc1ccc(CNC(=O)N2CCN(c3nncn3C)CC2)cc1 654362622 XDQUAUQIGGOARV-UHFFFAOYSA-N 357.418 0.805 0 40 FCAB CS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)o1 1251810909 PQVOHQSKMMVPJE-GFCCVEGCSA-N 369.443 0.237 0 40 FCAB Cc1cc([C@H](O)CNS(=O)(=O)c2ccc(OCC(N)=O)cc2)c(C)o1 1565520282 LPBSATVLRJDNER-OAHLLOKOSA-N 368.411 0.772 0 40 FCAB Cc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)C(C)C)C[C@H]4C3)nn12 1888853936 CLJNAFIPACRRBS-BETUJISGSA-N 350.448 0.539 0 40 FCAB Cn1c(NCCO)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C 4116022 ZKZRUMBSXQWPTF-UHFFFAOYSA-N 363.805 0.540 0 40 FCAB O=C1NC(=O)[C@H]2NC(=O)N(S(=O)(=O)c3cccc4ccccc34)[C@H]2N1 6476748 AFOOKWOVMKSLSA-NWDGAFQWSA-N 360.351 0.088 0 40 FCAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC(C(N)=O)CC1 6905817 DVBMEDJINOVBOV-HNNXBMFYSA-N 350.415 0.835 0 40 FCAB O=C(Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1)NCc1cccnc1 12422866 DRDMHCOJXDKBPG-LBPRGKRZSA-N 359.411 0.614 0 40 FCAB COc1ccc([C@@H](CNC(=O)c2nccnc2N)N2CCOCC2)cc1 12752699 XMZWOJLAKDPBOM-OAHLLOKOSA-N 357.414 0.871 0 40 FCAB O=C(CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)NCC1CC1 13267424 FXXPEGMUHMDQBU-UHFFFAOYSA-N 364.471 0.709 0 40 FCAB COC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)sc(C(N)=O)c1C 17075727 CUGOQBVMEXHXID-IUCAKERBSA-N 369.443 0.990 0 40 FCAB CN(Cc1cccs1)C(=O)CN1CCN(CC(=O)NC2CC2)CC1 22787435 MSLCUYHABQFIIT-UHFFFAOYSA-N 350.488 0.603 0 40 FCAB C[C@@H](OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(N)=O 39566616 HYYZTVJSBQHAMV-SSDOTTSWSA-N 355.397 0.329 0 40 FCAB O=S1(=O)CC[C@H](NCCCCCCN[C@@H]2CCS(=O)(=O)C2)C1 40177464 DZWDRTXQHGORCA-OKILXGFUSA-N 352.522 0.100 0 40 FCAB C[C@@H]1NC(C(=O)NCCNc2ncccn2)=NN(c2ccccc2)C1=O 57060734 DZAPAEQSUHAEGK-LBPRGKRZSA-N 353.386 0.343 0 40 FCAB C[C@@H]1CCCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 57500854 DMXMJYMRNQOQOW-CYBMUJFWSA-N 367.471 0.925 0 40 FCAB O=C1CCCN1CC(=O)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 72327406 PGHCWOJPUTXJOK-UONOGXRCSA-N 366.421 0.935 0 40 FCAB CCN1C[C@@]23CN(C(=O)c4cccc(OC)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146035 LKWVPLGGXFGSSP-VYDXJSESSA-N 366.439 0.713 0 40 FCAB c1cc(N2CC[C@@]3(COCc4cnc(N5CCOCC5)nc43)C2)ncn1 96244171 MJOPNRZYRXKKGF-SFHVURJKSA-N 354.414 0.782 0 40 FCAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(OC)cc1 96245831 HSATVODGAKUDOP-HUUCEWRRSA-N 354.428 0.706 0 40 FCAB CCOC(=O)Cn1nc(-c2ccc(OC)cc2)c(S(C)(=O)=O)cc1=O 96532006 SAQUZGNTWLOGIY-UHFFFAOYSA-N 366.395 0.886 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@@H]([C@H](C)O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 105352314 DOMSBGXMTOVLON-AMMFPXSFSA-N 357.410 0.588 0 40 FCAB COc1nccnc1O[C@H]1CCCN(C(=O)Cn2cnc(C)c(C)c2=O)C1 225494956 DWTKVPIOCGHPME-AWEZNQCLSA-N 373.413 0.729 0 40 FCAB O=C(NCC1CCOCC1)[C@H]1CN(c2ncc(F)cn2)Cc2ccnn21 247502729 QILFGYMWQSRTRN-OAHLLOKOSA-N 360.393 0.916 0 40 FCAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCCC[C@@H](O)[C@@H]1O 257215125 COUSEPFCRATHDX-UMVBOHGHSA-N 365.821 0.774 0 40 FCAB COCC(=O)N1CC2(CCN(Cc3ccn(C)n3)CC2)C[C@@]1(C)CO 257311384 UJEXOQGDHVZVJT-KRWDZBQOSA-N 350.463 0.632 0 40 FCAB CCn1ccnc1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 330153676 XIWSTMWYHMASHG-UHFFFAOYSA-N 370.475 0.606 0 40 FCAB C[C@H](C(=O)NCCN1CCOCC1)N(c1ccccc1)S(C)(=O)=O 408627893 RAUFBAGLNDRQPT-CQSZACIVSA-N 355.460 0.290 0 40 FCAB Cn1cc(CN2Cc3ccnn3[C@@H](CCNS(=O)(=O)C3CC3)C2)cn1 585112840 XGKIIQNBDXKROR-HNNXBMFYSA-N 364.475 0.645 0 40 FCAB CN(C)CC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(N)=O)C1 585284563 TXLHIEOXQLPHIQ-QGZVFWFLSA-N 353.394 0.239 0 40 FCAB COCCN1CC2(CCC1=O)CCN(C(=O)CCS(C)(=O)=O)CC2 1565546330 ZQTOLXIFLKBHPH-UHFFFAOYSA-N 360.476 0.299 0 40 FCAB COc1ccc(C(=O)N2C[C@H]3CCN(S(C)(=O)=O)[C@H]3C2)c(OC)c1 2055771941 LIMDRDLSCLDYSE-RISCZKNCSA-N 354.428 0.810 0 40 FCAB CCn1cnc2c(N3C[C@H]4CN(C(=O)[C@H]5CCOC5)C[C@H]4C3)ncnc21 2086968342 MSOQGQUHTNKBKR-MELADBBJSA-N 356.430 0.777 0 40 FCAB CCCC(=O)OCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 894608 KTYVAHSELJNLDP-UHFFFAOYSA-N 359.180 0.529 0 40 FCAB Nc1ccccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 1088436 RLEMTQNVNSJCLW-UHFFFAOYSA-N 358.402 0.919 0 40 FCAB COc1ccc(C2=NO[C@@H](Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)cc1 5207409 FDOWEJBHFZVMIU-CYBMUJFWSA-N 369.381 0.636 0 40 FCAB COC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5218799 WINVLSRAHTVPDR-XXFAHNHDSA-N 355.341 0.883 0 40 FCAB COC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)OC)c1=O)CCC3 6759069 XEMUEUOEIPOGSP-UHFFFAOYSA-N 352.368 0.059 0 40 FCAB CN(CCOc1ccc(Cl)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 8120586 QWMQRXXWNHNYIQ-CYBMUJFWSA-N 360.863 0.954 0 40 FCAB CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc(Cl)cc1Cl 12378539 UHQRLFPKGHQKEN-QMVSFRDZSA-N 366.197 0.316 0 40 FCAB CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 13995555 QAMYELCITHZAKW-MRXNPFEDSA-N 367.471 0.274 0 40 FCAB O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCc1cccs1 15303183 TYFXVTUCUMPMRR-HNNXBMFYSA-N 351.472 0.730 0 40 FCAB O=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)N1 15699464 JWZDCZCPGZDYBC-GFCCVEGCSA-N 371.846 0.452 0 40 FCAB COCCNC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063926 FLNTXMQWPRIQPI-UHFFFAOYSA-N 370.427 0.977 0 40 FCAB COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 30874041 JYSFRLRZBPAJNP-OAHLLOKOSA-N 369.487 0.872 0 40 FCAB CC(=O)c1ccc(NC(=O)Cn2c(=O)c(N(C)C)c(N)n(C)c2=O)cc1 32682489 YHEPQEUMYJWRNH-UHFFFAOYSA-N 359.386 0.037 0 40 FCAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(=O)[nH]c2)C1=O 32819171 XYQBKOZYASXEKD-GOSISDBHSA-N 354.366 0.963 0 40 FCAB CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 38422844 JOSHUAQJVMGTGS-NBUQLFNLSA-N 357.428 0.304 0 40 FCAB biogenic COC(=O)[C@@H](NC(=O)c1nc(CC(=O)Nc2cc(C)on2)no1)C(C)C 40285799 MWXSERMXRABNKK-LBPRGKRZSA-N 365.346 0.475 0 40 FCAB Cn1nc(C(=O)NCc2cccs2)cc1OCC(=O)N1CCOCC1 57312462 DIVCUTSQDHPSQN-UHFFFAOYSA-N 364.427 0.649 0 40 FCAB O=C(CN1C(=O)NC2(CCOCC2)C1=O)NCc1ccc2c(c1)OCO2 57947194 MQOILLGAJRFKNR-UHFFFAOYSA-N 361.354 0.133 0 40 FCAB CNC(=O)C1(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)CCCCC1 58282122 OETJOFKOJAERDC-UHFFFAOYSA-N 358.402 0.855 0 40 FCAB Cc1ccc(OC2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)CC2)nc1 95464894 LRJSZPYVBFNEBV-UHFFFAOYSA-N 372.429 0.753 0 40 FCAB O=C1NC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)C[C@@H]12 95467478 ZLDAWCWRHOFLDF-VIFPVBQESA-N 364.210 0.918 0 40 FCAB O=C(NCc1ccco1)C1=NO[C@]2(CCN(C(=O)N3CCOCC3)C2)C1 96225896 DGKUDOWKUGIWJW-QGZVFWFLSA-N 362.386 0.569 0 40 FCAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1 223283800 DPKKXFCEYACAHZ-UHFFFAOYSA-N 367.383 0.821 0 40 FCAB Cc1ccsc1CN1CC[C@@](O)(CNC(=O)c2c[nH]cn2)[C@H](O)C1 257226881 FMPCXAKJIWVDAJ-GDBMZVCRSA-N 350.444 0.507 0 40 FCAB COCC(=O)N[C@@H]1CN(Cc2ccc(OCc3nccn3C)cc2)C[C@H]1O 257255894 KJIOZSZTGXWRLY-IAGOWNOFSA-N 374.441 0.307 0 40 FCAB CC(=O)N[C@@]12CCN(S(=O)(=O)Cc3cccc(F)c3)C[C@@H]1CNC2 257264236 LTNCBIOASDOBSU-GOEBONIOSA-N 355.435 0.456 0 40 FCAB CCS(=O)(=O)NC[C@H]1CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]12 306134454 NOCUUFCYGRKQTE-JJRVBVJISA-N 368.455 0.801 0 40 FCAB CC(=O)N1CCN(C[C@@H]2OC[C@H](NC3Cc4ccccc4C3)[C@H]2O)CC1 514288399 CNLCTBKUYCHGRV-SLFFLAALSA-N 359.470 0.036 0 40 FCAB biogenic,in-vitro CCOc1ccc(C(=O)N(CC(C)C)C[C@@H]2COC[C@@H](O)[C@H]2O)cn1 585288190 QKKZLCMVKHNHER-INMHGKMJSA-N 352.431 0.947 0 40 FCAB CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 610031921 JCZSLSBQZIMBOI-CQSZACIVSA-N 359.835 0.608 0 40 FCAB CO[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)C[C@H]1c1cnn[nH]1 622167219 OYKVISOQEPPVCD-XJKSGUPXSA-N 355.398 0.968 0 40 FCAB Cn1cnnc1N1CCN(c2cc(N3CCCC[C@H]3CO)ncn2)CC1 656218676 WZBNXSBKSMABSC-AWEZNQCLSA-N 358.450 0.283 0 40 FCAB CS(=O)(=O)CCC(=O)N1CC[C@H]2CN(C3CCOCC3)CCO[C@H]2C1 1565555531 CEPSLMOHGLKRHY-HOCLYGCPSA-N 374.503 0.149 0 40 FCAB CCOc1ccc(C(=O)NCC(=O)N2C[C@@H](N)[C@H](c3nccn3C)C2)cc1 1615590797 MIGWBRRWWRLQLQ-HZPDHXFCSA-N 371.441 0.502 0 40 FCAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(C(=O)C3CCC3)CC2)[nH]1 2055713581 KEXGGXKCOJZMHK-UHFFFAOYSA-N 356.430 0.795 0 40 FCAB CNC(=O)CN1CCC2(CCCN(C(=O)c3cc(OC)no3)C2)CC1 2055785639 SUIVXILIQJQNLF-UHFFFAOYSA-N 350.419 0.747 0 40 FCAB O=C(NC1CCCCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 7779540 ISDCZPAHEWGPQG-CYBMUJFWSA-N 355.460 0.991 0 40 FCAB CC(=O)NCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 8131301 MRKOGAFBBRKKIQ-UHFFFAOYSA-N 359.835 0.647 0 40 FCAB Cc1ccc(C)c(N([C@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1 10284649 CVYPUSNTEDSIAO-OAHLLOKOSA-N 367.471 0.759 0 40 FCAB O=C(Cn1cnc2sccc2c1=O)NCCc1nnc2ccccn12 11545943 AIVBLUMRGPFOFH-UHFFFAOYSA-N 354.395 0.860 0 40 FCAB O=C(Cn1ncc2cccn2c1=O)N1CCN(c2ccc(F)cc2)CC1 12117318 FYLULRRSLNILCJ-UHFFFAOYSA-N 355.373 0.984 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)NCCc3cn4ccccc4n3)cnc21 12507663 CULNCKZKVZZNAO-UHFFFAOYSA-N 351.370 0.137 0 40 FCAB CN(C)CCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 13632766 GJHKVJOGIDJFRH-UHFFFAOYSA-N 371.459 0.292 0 40 FCAB CCOC(=O)C1=C(COC(=O)c2cc3ccccc3c(=O)[nH]2)NC(=O)NC1 18338280 VWUVVQDDFMMCLN-UHFFFAOYSA-N 371.349 0.815 0 40 FCAB CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(F)(F)F)cc1 21464031 ZDWMCIJGPLIXLW-UHFFFAOYSA-N 368.333 0.820 0 40 FCAB CCN1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 22517426 XTEPDKRQWWRDLA-HNNXBMFYSA-N 353.444 0.378 0 40 FCAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCC(=O)N(C)C)C(C)C)c1 24377706 WHOYGBZCWXWROK-INIZCTEOSA-N 365.430 0.663 0 40 FCAB COCCCNC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 32489606 MECJZITVTQSFLG-UHFFFAOYSA-N 363.458 0.728 0 40 FCAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@H](C)Cn1cccn1 41738988 LGSOHRCOTPEFPW-GFCCVEGCSA-N 364.427 0.738 0 40 FCAB C[C@H](Cc1ccccc1F)NC(=O)NCCS(=O)(=O)N1CCOCC1 52144133 QIBBUCRSJZNAQM-CYBMUJFWSA-N 373.450 0.718 0 40 FCAB NC(=O)[C@@H]1CC(C(=O)N2CCOC[C@@H]2C2CC2)=NN1c1ccc(F)cc1 89975397 FOJVVQULRQBHIO-JKSUJKDBSA-N 360.389 0.883 0 40 FCAB COCC(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CCCC1)Cn1ccnc12 96036853 GNHKKXIEQAIBEW-CQSZACIVSA-N 362.430 0.368 0 40 FCAB Cc1noc(C)c1CN1CCCn2c(nc(Cn3cncn3)cc2=O)C1 96059619 ZYZSPEDDDDSEHW-UHFFFAOYSA-N 355.402 0.894 0 40 FCAB CS(=O)(=O)N[C@H]1CCN(C(=O)NCCc2cn3ccccc3n2)C1 116938639 PMCFELZAQWYJMG-ZDUSSCGKSA-N 351.432 0.210 0 40 FCAB CS(=O)(=O)N1CCC[C@@]12CCN(C(=O)c1ccccc1F)C[C@@H]2O 257199844 AAZONNJYVSDXHB-HOCLYGCPSA-N 356.419 0.827 0 40 FCAB CCN(CC)C[C@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2ccnn21 306142987 XQAJYTYNAQHITD-AWEZNQCLSA-N 352.464 0.704 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCO)Cc1ccc(Br)cc1 408610068 NLADESYWGPGPRY-UHFFFAOYSA-N 365.249 0.319 0 40 FCAB Cc1c([C@H]2CN(CC(=O)N(C)Cc3ccco3)C[C@@H]2C(N)=O)cnn1C 527571314 AOFXAVMFANXREP-CVEARBPZSA-N 359.430 0.481 0 40 FCAB CCN(CC(=O)c1ccc(OC)c(OC)c1)[C@H]1CS(=O)(=O)C[C@@H]1O 575424628 UUSVBURNIAVOBO-JSGCOSHPSA-N 357.428 0.366 0 40 FCAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(C(=O)COC)CC[C@@]1(C)O 604383083 GSEYVMBSPIWOFN-OKZBNKHCSA-N 350.415 0.489 0 40 FCAB biogenic,in-vitro COc1cccc(C(=O)N2CCO[C@@H](CN(CC(=O)O)C(C)=O)C2)c1 681942526 LYBWALFGNDQTQW-OAHLLOKOSA-N 350.371 0.469 0 40 FCAB Cc1nc(C(=O)N2CCC3(CC2)COCCN(S(C)(=O)=O)C3)cs1 1565554909 KAEUVLGXBUKTIY-UHFFFAOYSA-N 373.500 0.966 0 40 FCAB C[C@@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 838190 FQBHTDVKMNUCEO-SNVBAGLBSA-N 361.377 0.414 0 40 FCAB Cn1c(C(=O)NCCCN2CCCC2=O)cc2c(=O)n3ccccc3nc21 2917083 KVIYKROGWZEIPC-UHFFFAOYSA-N 367.409 0.929 0 40 FCAB COc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)c(OC)c1 4270174 FUVCCZDBVDBTSI-UHFFFAOYSA-N 369.399 0.210 0 40 FCAB CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1cccn1C)C2=O 4414939 VSWSBYNCCQNZCG-UHFFFAOYSA-N 362.386 0.714 0 40 FCAB O=C(NN1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 6579729 QNWMEJJAPGLQGJ-UHFFFAOYSA-N 353.444 0.838 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc3cccnc13)c(=O)n2C 8709973 YZJVBPKJHWPXGJ-UHFFFAOYSA-N 364.365 0.621 0 40 FCAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 8808072 SDMVMUAVKHWRQG-SECBINFHSA-N 373.438 0.916 0 40 FCAB CCCNC(=O)[C@H](C)NC(=O)CSc1nnnn1-c1cccc(F)c1 9691163 JZMFSIPWJABDNS-JTQLQIEISA-N 366.422 0.924 0 40 FCAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ncnc3c2nnn3C)CC1 13532633 BULJHYRRDKJORF-ZDUSSCGKSA-N 367.413 0.874 0 40 FCAB COC[C@H]1CCCN1[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)c1cccs1 20465274 OAZKDTUMXGALOT-XYTFPVCRSA-N 370.471 0.078 0 40 FCAB biogenic,in-vitro Cn1cc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cn1 21997544 VGXUXNGMNBURRA-UHFFFAOYSA-N 362.411 0.623 0 40 FCAB CCCS(=O)(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23135064 NEOHMZYEEHCZLX-UHFFFAOYSA-N 368.438 0.659 0 40 FCAB C[C@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)N1CCc2sccc2C1 25384839 APFMYQJCQCRCTO-ONGXEEELSA-N 365.411 0.553 0 40 FCAB Cc1cccc(NC(=O)Cn2ccc(=O)n(C)c2=O)c1C(=O)N1CCCC1 44537860 GPQCKNAZACZLDW-UHFFFAOYSA-N 370.409 0.730 0 40 FCAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCCN3CCNCC3)cc2)o1 44902526 JPXGCUUVIBDVOI-UHFFFAOYSA-N 358.402 0.005 0 40 FCAB C[C@H]1CCCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 57500856 DMXMJYMRNQOQOW-ZDUSSCGKSA-N 367.471 0.925 0 40 FCAB Cn1c(=O)c2ccccc2n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O 57525645 OWRPUVVSSMXUJF-UHFFFAOYSA-N 367.361 0.745 0 40 FCAB O=C(Cn1nc2c(cc1=O)CSCC2)N[C@@H](Cc1ccccc1)C(=O)O 71280162 ZEUIMDPEWCJBIP-HNNXBMFYSA-N 373.434 0.845 0 40 FCAB NC(=O)CN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 74191372 ZJLUJXVWXOQIII-UHFFFAOYSA-N 355.236 0.491 0 40 FCAB C[C@@H](Sc1ccccc1Cl)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 75105284 SOVCTGQPEULPSA-GHMZBOCLSA-N 367.858 0.990 0 40 FCAB Cc1ccccc1OCCCN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 89696761 WZLWHWSHFNQGCQ-SJORKVTESA-N 368.499 0.539 0 40 FCAB O=C(NCc1ccccc1)[C@H]1C[C@@H]2CN(S(=O)(=O)C3CC3)C[C@H]1O2 96253451 JQIBIWOZFHNXLZ-VNQPRFMTSA-N 350.440 0.884 0 40 FCAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 100172068 SMCSYGSHRDGSMS-DEXNDLTESA-N 371.345 0.952 0 40 FCAB CN1CCN(CCCNC(=O)c2cccc(CN3CCOCC3)c2)CC1 216435110 QWBOTXSIKPTQOV-UHFFFAOYSA-N 360.502 0.886 0 40 FCAB COc1cc(N2Cc3ccnn3C[C@@H](OCC(=O)N3CCCC3)C2)ncn1 247902368 RANHMKNGILHJCD-HNNXBMFYSA-N 372.429 0.710 0 40 FCAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nccc(CNC(C)=O)n1 257231762 GIBWHOIILPWCEB-CQSZACIVSA-N 355.464 0.836 0 40 FCAB Cc1c(CCC(=O)N(C)C[C@]2(O)CCN(c3cnccn3)C2)cnn1C 257257229 KOQSYIVQRMVMRQ-GOSISDBHSA-N 358.446 0.551 0 40 FCAB CCS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCO2 408702367 DZDKSYHTAZABGA-ZDUSSCGKSA-N 370.427 0.867 0 40 FCAB Cc1c([C@@H]2[C@@H](C(=O)Nc3cc4n(n3)CCCC4)CC(=O)N2C)cnn1C 553346700 HZQQFWWDIWJCSZ-GUYCJALGSA-N 356.430 1.419 0 40 FCAB Cc1nc(C(=O)NC[C@H]2CO[C@@H]3CN(S(=O)(=O)C(C)C)C[C@H]23)cs1 575406178 VWWBHIJGTLIBLI-OUCADQQQSA-N 373.500 0.866 0 40 FCAB C[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1NC(=O)c1ccc(-n2ccnn2)cc1 1080768584 BVCHZBUBSCGOIN-BXUZGUMPSA-N 368.401 0.341 0 40 FCAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)CCS(C)(=O)=O)CC2 1142529459 SPZMGAYUWFOZAN-CQSZACIVSA-N 374.503 0.545 0 40 FCAB COCCN1CCCC2(CCN(C(=O)CCS(C)(=O)=O)CC2)C1=O 1565545563 KCULASFZJKQWKJ-UHFFFAOYSA-N 360.476 0.299 0 40 FCAB Cc1nc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCN(C)CC3)C2)cs1 1565549067 OUHPFVZXSJDHTC-UMVBOHGHSA-N 364.471 0.455 0 40 FCAB COCCN1C(=O)[C@H]2CN(Cc3ccncc3)CCN2C12CCOCC2 1772595434 WJCFZTSXVGTLMG-QGZVFWFLSA-N 360.458 0.563 0 40 FCAB CCCS(=O)(=O)N1CCC(C(=O)NCCOC)(n2ccnc2)CC1 2055713306 XSGRFJVTILWIEH-UHFFFAOYSA-N 358.464 0.177 0 40 FCAB O=C1CN(CCCN2CCOCC2)CC(=O)N2Cc3ccccc3CN12 1579248 LKSOKXVSPAARAE-UHFFFAOYSA-N 358.442 0.310 0 40 FCAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)O)C(=O)O 1579832 JMDKBDALNFZTOV-ZYHUDNBSSA-N 352.343 0.736 0 40 FCAB CC[C@@H]1CCCCN1C(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O 5918145 BFOJSBMQCPUCQK-CYBMUJFWSA-N 355.460 0.890 0 40 FCAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)cc1 6395264 NFXVFNMEGYYQGR-ZDUSSCGKSA-N 357.366 0.794 0 40 FCAB CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)[C@H]1CCS(=O)(=O)C1 6949016 FWVIKKYIZLSQFS-NSHDSACASA-N 366.361 0.903 0 40 FCAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 8727713 KSAHGCPYPWXEIQ-VIFPVBQESA-N 359.386 0.308 0 40 FCAB CC[C@@H](C)N1C(=O)[C@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 8995293 AWHPEGKWPUMIRZ-FAHRZOFISA-N 370.409 0.081 0 40 FCAB O=C(COc1ccccn1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 19371183 STZSIAIUYADYOG-UHFFFAOYSA-N 353.378 0.901 0 40 FCAB COCC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 20724587 AZOKFVCQCMVLEX-LLVKDONJSA-N 353.806 0.572 0 40 FCAB CN(CC(=O)NC1CC1)C(=O)CN1CCN(Cc2ccsc2)CC1 22914286 AOZJJJPBMQVEKV-UHFFFAOYSA-N 350.488 0.603 0 40 FCAB CCN(CCS(=O)(=O)CCC(N)=O)C[C@@H]1COc2ccccc2O1 31173758 PGNXHXSDAWKSSS-CYBMUJFWSA-N 356.444 0.439 0 40 FCAB C[C@@H](C(=O)NC1CC1)N1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 32724181 AOEPRGZPCHQVFG-XTZNXHDOSA-N 359.382 0.935 0 40 FCAB Cn1c(=O)c2[nH]c(SCC(=O)c3ccc(Cl)[nH]3)nc2n(C)c1=O 36627036 KSGMDGCMAOTRCE-UHFFFAOYSA-N 353.791 0.917 0 40 FCAB CCC[C@H](C)NC(=O)COC(=O)CN1C(=O)c2ccccc2S1(=O)=O 39977882 OJSDARRVKTZJND-NSHDSACASA-N 368.411 0.679 0 40 FCAB Cc1ccc(N2C[C@H](C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 39996810 HNFQQSKNCFCQAK-UKRRQHHQSA-N 350.440 0.993 0 40 FCAB CS(=O)(=O)N1CCN(CCNC(=O)CSc2ccccc2)CC1 58300146 VPCIYDKXYNZORP-UHFFFAOYSA-N 357.501 0.472 0 40 FCAB COC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@H]1c1ccccc1 67286642 NENFEBWUOYNPGC-KRWDZBQOSA-N 372.425 0.632 0 40 FCAB O=c1ccc(-n2cncn2)nn1CCNS(=O)(=O)/C=C/c1ccccc1 96025227 YRBQNRRWHGTIJA-DHZHZOJOSA-N 372.410 0.414 0 40 FCAB Cc1cnc(C(=O)N2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)cn1 96082371 QMCWQTHIOGQGGD-GDBMZVCRSA-N 354.414 0.943 0 40 FCAB CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)NC3CC3)CC2)O1 96243680 XBBWHIOHABHKEK-CQSZACIVSA-N 361.446 0.970 0 40 FCAB COC1(CNC(=O)C2CCN(S(C)(=O)=O)CC2)Cc2ccccc2C1 225720036 DGGADBOUCBIAPV-UHFFFAOYSA-N 366.483 0.958 0 40 FCAB CCS(=O)(=O)CCN1Cc2ncn(C)c2[C@@H](C(=O)N2CCCCC2)C1 248006100 CEFBRUUQPFNDLE-AWEZNQCLSA-N 368.503 0.767 0 40 FCAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](O)[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O 257313703 UTSKQEMWFSZMLE-RBLKWDMZSA-N 364.406 0.359 0 40 FCAB CN(C)CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 306138968 SLYHQMJZOCCKOW-GJZGRUSLSA-N 374.514 0.935 0 40 FCAB Cc1nn(C)cc1CN1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 570129188 XIQUXTMJDAWSON-VXGBXAGGSA-N 354.398 0.983 0 40 FCAB CS[C@H](CO)[C@@H](C)NC[C@H](O)Cn1c(-c2ccccc2)noc1=O 580445122 JZRPLMWWIVBQRB-KWCYVHTRSA-N 353.444 0.566 0 40 FCAB Cn1nnc2c1[C@H](COCCN1CCCC1)CN(C(=O)c1cc[nH]c1)C2 585110914 YXDDRWKYPPYBGC-HNNXBMFYSA-N 358.446 0.995 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@@H](CCNC(=O)c2cnccn2)C1 585112876 XLOLLFXUBYFJEH-LBPRGKRZSA-N 364.431 0.200 0 40 FCAB O=C(N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(-c2ccccc2)nn1)N1CCOCC1 1549159158 DUPYBZQJQAKHOS-GVDBMIGSSA-N 373.413 0.115 0 40 FCAB CC(C)(C)NC(=O)CNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 6986134 ZEMLRFNMSSMTCD-UHFFFAOYSA-N 366.443 0.146 0 40 FCAB CCOC(=O)c1cnc(SCC(=O)NC(=O)NC(C)(C)C)nc1N 9316982 KNMOBBVAVBGFLT-UHFFFAOYSA-N 355.420 0.952 0 40 FCAB CC(C)(C)n1nnnc1CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 12113743 NCFNQWRNERBNCL-UHFFFAOYSA-N 358.450 0.670 0 40 FCAB O[C@@H](c1nc2ccccc2[nH]1)[C@H](O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 13144607 UGRBLAMMQLLLQF-KLHDSHLOSA-N 354.366 0.928 0 40 FCAB O=C(C[C@H](NCCCN1CCOCC1)C(=O)O)Nc1cccc(F)c1 22997087 WKLAFJLPBUZLAD-HNNXBMFYSA-N 353.394 0.919 0 40 FCAB CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)c1ccccc1 23115226 VCTHPIBYLKDRER-ZDUSSCGKSA-N 357.414 0.989 0 40 FCAB O=C(NCCN1CCOCC1)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 26440125 QPOQATSDQBAGEZ-SQFISAMPSA-N 358.398 0.827 0 40 FCAB Cc1cccc(NC(=O)Cc2c(Cl)nc3n(C)c(=O)n(C)c(=O)n23)c1 28527294 PONDAVMYHAVRLR-UHFFFAOYSA-N 361.789 0.875 0 40 FCAB CN(CC(=O)Nc1cccnc1-n1cncn1)S(=O)(=O)c1ccccc1 58200870 YOTASKAJDFTRRT-UHFFFAOYSA-N 372.410 0.922 0 40 FCAB CC(C)(C(N)=O)N1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 72306499 ZUMZDNMWKKESGU-UHFFFAOYSA-N 371.441 0.195 0 40 FCAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CSc2nccc(=O)n2C1 85473919 GANBDJCNFXHNLT-SNVBAGLBSA-N 355.383 0.580 0 40 FCAB COCCN1[C@@]2(CCN(S(C)(=O)=O)C2)c2ccccc2S1(=O)=O 96143048 QCMUVDUBCSBBOZ-CQSZACIVSA-N 360.457 0.198 0 40 FCAB O=C(N[C@@H]1C[C@H](O)[C@H](CO)C1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 107287051 HLTHMYHYLYNXAR-UHXUCMFUSA-N 352.818 0.941 0 40 FCAB CCOC(=O)CCNC(=O)NCc1nnc2c(-c3nc(C)no3)cccn12 225749221 RAKRAMRJNBSLJM-UHFFFAOYSA-N 373.373 0.840 0 40 FCAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN3S(=O)(=O)N(C)C)ccnc12 257263566 LQPGBMTYNASHHG-LBPRGKRZSA-N 366.447 0.374 0 40 FCAB COc1cc(/C=c2/c(O)n/c(=C\C(C)C)c(=O)n2C)cc(OC)c1OC 604381329 JLJDGHFNKOJASB-PVRNWPCDSA-N 360.410 0.777 0 40 FCAB biogenic,in-vitro Cn1ncc(C(=O)N[C@H]2CCCN(CC(N)=O)C2)c1Cc1ccccc1 1116800779 ZFLNSFRZJKAFCB-HNNXBMFYSA-N 355.442 0.690 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC[C@]2(CCCN2S(C)(=O)=O)CC1 1614930812 ZBWALVJAZYGQBV-AWEZNQCLSA-N 366.505 0.228 0 40 FCAB Cc1nc(C(=O)N2Cc3nnn(C)c3[C@H](COCCN(C)C)C2)cs1 1614936229 XCJKUAIHOJCYJY-LBPRGKRZSA-N 364.475 0.898 0 40 FCAB Cn1ccnc1[C@@]1(CNC(=O)c2cc3cnccc3o2)NC(=O)NC1=O 1616035142 MJWDOXYMJXBMBT-MRXNPFEDSA-N 354.326 0.026 0 40 FCAB CN(C)S(=O)(=O)N1CCc2c(c(COc3cccnc3)nn2C)C1 2055713846 RFSZNXXLJPTWQF-UHFFFAOYSA-N 351.432 0.559 0 40 FCAB CCC1(CC)NC(=O)N(CC(=O)OCn2nnc3ccccc3c2=O)C1=O 3369414 KSGOFFWOSYQRPC-UHFFFAOYSA-N 373.369 0.403 0 40 FCAB CN(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 4135562 JMWOELYWRQVMPO-UHFFFAOYSA-N 374.420 0.595 0 40 FCAB C[C@@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 4162142 CKJCJUKVEFJGJO-SNVBAGLBSA-N 365.459 0.464 0 40 FCAB Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1-c1ccccc1 4303940 DIRJYWPYEMLKBF-UHFFFAOYSA-N 366.381 0.241 0 40 FCAB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1OC)C1=C(COC1=O)N2 4495938 VAOXTWWMRXTQDS-LBPRGKRZSA-N 355.350 0.933 0 40 FCAB O=C(NS(=O)(=O)Oc1ccc(F)cc1)O[C@H]1CCS(=O)(=O)C1 4594486 FUVGKUXNWZQMFE-JTQLQIEISA-N 353.349 0.363 0 40 FCAB Cn1c(=O)c2c(SCC(=O)Nc3nccs3)ccnc2n(C)c1=O 4942202 NSMHBFSLIGQOMR-UHFFFAOYSA-N 363.424 0.820 0 40 FCAB O=C1COc2ccc(S(=O)(=O)NCC(=O)N3CCCCC3)cc2N1 12187884 HVDGCEMGIAGGIO-UHFFFAOYSA-N 353.400 0.308 0 40 FCAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)ccc1OC 13679575 JQVNAMKXMNLRGF-UHFFFAOYSA-N 363.395 0.955 0 40 FCAB COc1ccccc1OCCNC(=O)Cn1nnc2ccccc2c1=O 15533246 XTIPAUNSMMEQSG-UHFFFAOYSA-N 354.366 0.995 0 40 FCAB COc1cc(C)c(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C 19567425 SQFURTYAVCKJDK-UHFFFAOYSA-N 367.427 0.675 0 40 FCAB CCCn1c(=O)n(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c2ccccc21 22551967 FAJNVPSJBUXTOP-KRWDZBQOSA-N 365.455 0.906 0 40 FCAB COc1cccc([C@H](CNC(=O)C(=O)Nc2ccon2)N2CCOCC2)c1 23107096 RGDMQVPSLJVPCM-HNNXBMFYSA-N 374.397 0.811 0 40 FCAB O=C(Cc1ccccc1)NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 23640700 CILYGBCGVIIDBD-UHFFFAOYSA-N 358.398 0.631 0 40 FCAB NC(=O)c1ccc(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 32870778 YGSIMCUWJBYZOB-MRXNPFEDSA-N 374.441 0.437 0 40 FCAB COCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccs2)CC1 34887457 WIGSVJLCSVRQQQ-GFCCVEGCSA-N 361.489 0.206 0 40 FCAB CN(C)CCCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 36366522 CEWLZGQSFSOLDE-UHFFFAOYSA-N 368.459 0.233 0 40 FCAB C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(=O)N(C)C 40121203 HUXFDBFJHSCCJW-OCCSQVGLSA-N 353.444 0.433 0 40 FCAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1 57578213 OWMQMEAWURFSTG-NSHDSACASA-N 351.428 0.886 0 40 FCAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 58262610 XVVUVQJAKHTRQZ-CQSZACIVSA-N 372.425 0.967 0 40 FCAB CS(=O)(=O)N1CCC[C@@H](NC(=O)NCc2cn3ccsc3n2)C1 67623643 MGRCFVMQTTVYJJ-SNVBAGLBSA-N 357.461 0.619 0 40 FCAB O=C(c1cc([C@@H]2CCCCN2C(=O)c2cc[nH]n2)n[nH]1)N1CCOCC1 72380515 URKNVRKNCCIKRM-HNNXBMFYSA-N 358.402 0.973 0 40 FCAB CC(C)NC(=O)N1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 96063535 QCDKPRFWHGAIKD-WMLDXEAASA-N 350.419 0.611 0 40 FCAB Cc1nnc(CNC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)o1 96395934 HRNWORSJTMAYQW-UHFFFAOYSA-N 369.389 0.282 0 40 FCAB CCS(=O)(=O)c1cc(=O)n(CC(=O)O)nc1-c1ccc(OC)cc1 96532016 WIJFKKTVJOJOKD-UHFFFAOYSA-N 352.368 0.797 0 40 FCAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccncc3)[C@@H]4C2=O)no1 101433840 VLMHIIXZOAOWBE-ZIGSKRJUSA-N 366.377 0.981 0 40 FCAB CC(C)(C)NC(=O)NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102392276 FESUHJKVCNOWSA-PHIMTYICSA-N 367.402 0.329 0 40 FCAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3cccnc3)[C@H]4C2=O)no1 106022126 IOZYEGGIGLQOAY-FVQSIRDASA-N 366.377 0.981 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCN1Cc1ccccc1 257234269 GSVLQLWHFUUHCW-KRWDZBQOSA-N 368.437 0.458 0 40 FCAB CC(C)CN1CCO[C@H](CNC(=O)Cn2ccc(=O)c3cnn(C)c32)C1 333395246 DEKVRPOOCMCAJM-CQSZACIVSA-N 361.446 0.208 0 40 FCAB C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(C(=O)O)cc1F 568007197 BZHQOWJAWBPKOL-QMMMGPOBSA-N 353.393 0.578 0 40 FCAB C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)n1nc2c(cc1=O)CCC2 575621613 ZRUGCSTVPAPRDS-CYBMUJFWSA-N 370.409 0.871 0 40 FCAB CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(F)cc2F)C1=O)[C@H]1CCNC1 585086647 ABJMHMNONBQIIA-AAEUAGOBSA-N 366.368 0.990 0 40 FCAB Cc1nnc2n1C[C@H](CN(C)C)N(C(=O)Cc1cn3c(n1)CCCC3)C2 685943453 XBBFIDGBZHIMOO-HNNXBMFYSA-N 357.462 0.634 0 40 FCAB Cc1nnc(N2CCN(C(=O)Cc3ncccc3F)CC2)c(C(N)=O)c1C 1116870160 NUIZIRXGNPIMNJ-UHFFFAOYSA-N 372.404 0.618 0 40 FCAB Cc1cnc(C(=O)N2CCCN(c3ccc4nnc(C)n4n3)CC2)cn1 1775986096 UYJBYIDJFXZRRL-UHFFFAOYSA-N 352.402 0.884 0 40 FCAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cn(C)nn5)C[C@H]4C3)n1)CCC2 1888867054 HWQNXWYKVBNDEG-BETUJISGSA-N 353.430 0.611 0 40 FCAB COc1ccc(CCNC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1 3454377 HMVOVUYOJGDAJP-UHFFFAOYSA-N 361.398 0.801 0 40 FCAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C(C)=O)c1ccc(F)cc12 4686450 HFBOZKBLWZCBIT-OAHLLOKOSA-N 364.358 0.874 0 40 FCAB Cn1c(=O)c2[nH]c(SC[C@H]3COc4ccccc4O3)nc2n(C)c1=O 6161094 MAELQYUMNKJDRH-SECBINFHSA-N 360.395 0.892 0 40 FCAB COC(CNC(=O)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1)OC 9421183 LERUIBZISYCQOL-VIFPVBQESA-N 368.825 0.958 0 40 FCAB COc1cc([C@@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3C)cc(OC)c1OC 20761552 HFUXZLPBUQCYBM-NSHDSACASA-N 362.342 0.324 0 40 FCAB biogenic NC(=O)C1CCN([C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 21548867 WDJXCXPZBPZDCJ-CYBMUJFWSA-N 359.382 0.240 0 40 FCAB Cc1cccc(OCC(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 28847059 SQNABUUYZNRNSV-CYBMUJFWSA-N 355.412 0.563 0 40 FCAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccon1 56997837 BTNZTRKFHLUICF-UHFFFAOYSA-N 361.377 0.691 0 40 FCAB CC[C@H](C)NC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520468 QMILBNCZILLDNB-JTQLQIEISA-N 365.459 0.672 0 40 FCAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H](C)S(C)(=O)=O 72295384 BALMDDOLWUZOBB-HUUCEWRRSA-N 353.488 0.746 0 40 FCAB CN(CC(=O)NC1CC1)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 96005079 TXDYGOLCFUOEMX-HNNXBMFYSA-N 371.503 0.708 0 40 FCAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)COC)CC2)O1 96036902 CYLCUAGWKXQVBB-CQSZACIVSA-N 364.446 0.614 0 40 FCAB Cc1noc(C)c1C(=O)N1C[C@@H]2CN(Cc3cnn(C)c3)CCO[C@@H]2C1 96108109 FRVRURFFBWGIHA-JKSUJKDBSA-N 359.430 0.998 0 40 FCAB CCN1C(=O)COc2ccc(S(=O)(=O)NCCC(=O)N(C)C)cc21 227162247 POABPCMQYAVQSH-UHFFFAOYSA-N 355.416 0.189 0 40 FCAB COc1cc(N2CC3(CC[C@@H](CNC(=O)c4cnn(C)c4)CO3)C2)ncn1 248095738 CWQYYCQVYZYHAJ-ZDUSSCGKSA-N 372.429 0.634 0 40 FCAB CN1CCN(C[C@@]2(O)CCCN(C(=O)Cc3ccc(O)cc3)CC2)CC1 257217532 CZJJXBHISUPWAW-HXUWFJFHSA-N 361.486 0.926 0 40 FCAB Nc1cnc(C[C@@H]2CCCN(S(=O)(=O)N3CCOCC3)CC2)cn1 257307167 SXMJMVHYXCRWPU-CYBMUJFWSA-N 355.464 0.280 0 40 FCAB NC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 298320567 ZTSZPCCGJKDWPZ-UHFFFAOYSA-N 359.835 0.342 0 40 FCAB C[C@H]1CN(C(=O)CN2CCN(c3ccnc(N(C)C)n3)CC2)C[C@H](C)O1 533071387 ADKABRAXLJUOPS-GJZGRUSLSA-N 362.478 0.300 0 40 FCAB Cn1ncc(Cl)c1C(=O)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 585272962 PRAYXNKFYIRUQD-UHFFFAOYSA-N 370.774 0.523 0 40 FCAB CNS(=O)(=O)N1CCN(C(=O)c2cc(OC)nc3ccccc23)CC1 614502261 GCXPFXGAMBLESF-UHFFFAOYSA-N 364.427 0.465 0 40 FCAB O=C1N[C@H](C(F)(F)F)CC[C@@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 670405480 HPZBMMRQXCHKOD-IUCAKERBSA-N 362.308 0.938 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCN(c2nccc(N3CCOCC3)n2)C1 676306670 NGGFCMJVRRGLEH-ZDUSSCGKSA-N 355.464 0.079 0 40 FCAB Cn1c(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)cccc1=O 1565550698 DOXBCFZMXROPMX-ROUUACIJSA-N 368.437 0.896 0 40 FCAB Cc1nc2ncnn2c(N2CCN(c3nccc(N(C)C)n3)CC2)c1C 1889136349 YEPBSIJRGOMBGZ-UHFFFAOYSA-N 353.434 0.924 0 40 FCAB CN1C(=O)[C@](NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)N=C1O 4629405 HSHMPNIHIWMPQO-JTQLQIEISA-N 352.294 0.192 0 40 FCAB CC(=O)[C@H](C(=O)N(C)C)n1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O 5056794 IPDHMMPXYQNWDI-CYBMUJFWSA-N 374.788 0.849 0 40 FCAB CN(CCO)C(=O)C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6662470 OEUYVZHRNWBAAN-UHFFFAOYSA-N 355.416 0.088 0 40 FCAB CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)NC(C)(C)C 7685020 FPJRYUQDSUCVKF-UHFFFAOYSA-N 370.475 0.509 0 40 FCAB CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O 8710685 LCIOQTMBRDZHGT-UHFFFAOYSA-N 362.361 0.285 0 40 FCAB CCCNC(=O)CN(C)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 8986014 PUXNWKGZFVTKLH-UHFFFAOYSA-N 355.460 0.377 0 40 FCAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCCO 10041282 DEYOWGODVUNPFK-VIFPVBQESA-N 365.249 0.615 0 40 FCAB Cc1ccc2nc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)cc(=O)n2c1 11217628 LWHUITYYTJZGCV-UHFFFAOYSA-N 374.422 0.463 0 40 FCAB CN(C)S(=O)(=O)c1cccc(Cn2nnn(-c3ccccc3)c2=O)c1 12773954 PBWFSJMYSAKGLI-UHFFFAOYSA-N 359.411 0.728 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1CC(N)=O 12778342 VDIZBCYUKBNCCU-SSDOTTSWSA-N 368.444 0.428 0 40 FCAB CN1CC(=O)N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1=O 12920712 WODLGGHGIWNMLS-VMPITWQZSA-N 356.426 0.738 0 40 FCAB COc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Cl 12968676 PXWTUABSOIWASN-UHFFFAOYSA-N 359.791 0.547 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1I 14168977 KGNGWXVTLXVLLW-UHFFFAOYSA-N 371.134 0.780 0 40 FCAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15601645 XNROAOBAAUPZEG-UHFFFAOYSA-N 365.349 0.888 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(Br)cc1 25032913 XFRXGQFDAIIXCY-GFCCVEGCSA-N 369.215 0.882 0 40 FCAB CN(C)c1c(N)n(C)c(=O)n(CC(=O)Nc2ccc(F)c(F)c2F)c1=O 32682480 MRGCJMXITUABFJ-UHFFFAOYSA-N 371.319 0.251 0 40 FCAB COC(=O)CSc1nnc(CNS(C)(=O)=O)n1-c1ccc(F)cc1 35313301 UVIWCZXRHQNYNI-UHFFFAOYSA-N 374.419 0.721 0 40 FCAB NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 36395081 HGOGVUPSQZOTKE-UHFFFAOYSA-N 368.278 0.302 0 40 FCAB O=C(NCCN1CCN(C(=O)c2cccs2)CC1)c1ccc[nH]c1=O 44454942 YZOIMIBIBHYJAF-UHFFFAOYSA-N 360.439 0.624 0 40 FCAB COc1ccc(CCNC(=O)c2nc(CC(=O)N3CCOCC3)no2)cc1 44916968 CIFRMPOOBZTTFC-UHFFFAOYSA-N 374.397 0.452 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@@H](C)OC 48332732 WYXATQIHJDNAJY-GFCCVEGCSA-N 371.459 0.605 0 40 FCAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cc(C)nn2C)C1=O 53842626 JRTOZNHVLZWRPH-UHFFFAOYSA-N 365.390 0.321 0 40 FCAB C=COCCCNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 55175280 PFASYUCYLSFSMF-UHFFFAOYSA-N 363.461 0.733 0 40 FCAB C[C@H](c1nc(=O)c2ccccc2[nH]1)N1CCC(NS(C)(=O)=O)CC1 57373661 CVJWMGIXHIPGGR-LLVKDONJSA-N 350.444 0.998 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)NCC1(c2ccc3c(c2)OCO3)CCOCC1 58162109 OUEZYEZKHQGVFW-GFCCVEGCSA-N 363.414 0.897 0 40 FCAB COCCCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 58245825 BGJWUICPWIJATR-KRWDZBQOSA-N 361.442 0.287 0 40 FCAB O=C(c1cc(O)no1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 89840319 ZKDHXPIETWQEIS-UHFFFAOYSA-N 351.384 0.668 0 40 FCAB O=C(N1CC(S(=O)(=O)N2CCOCC2)C1)C(F)(F)c1ccccn1 95999321 ZFCPVPWADLVZKV-UHFFFAOYSA-N 361.370 0.046 0 40 FCAB O=C(c1ccnnc1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96159080 STEVUFQGWKRHIW-UHFFFAOYSA-N 358.377 0.917 0 40 FCAB COC(=O)C1=NO[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100166116 GWJHUOVEJRAEKM-PSASIEDQSA-N 353.128 0.866 0 40 FCAB COC[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3noc(C)n3)c2)[C@H](O)[C@@H]1O 225505479 RPFPJDQJIDODKR-NGFQHRJXSA-N 362.386 0.923 0 40 FCAB biogenic,in-vitro CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc(OC)ccc3Cl)C2)CN1C 247962356 FTKDSENMQSTVHO-AWEZNQCLSA-N 367.833 0.620 0 40 FCAB Cn1c(=O)n(C)c2cc(NC(=O)CN3CC[C@@]4(CCCO4)[C@@H](O)C3)ccc21 257306504 SUNAZKBCBYRCHI-LPHOPBHVSA-N 374.441 0.431 0 40 FCAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc2nsnc12 548210465 NVSCBFABOBUSGP-SCZZXKLOSA-N 357.413 0.849 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1CN(c2cc(-c3ccccc3)ncn2)C1 575414012 CORVMAIERBOOKH-OAHLLOKOSA-N 372.450 0.883 0 40 FCAB O=C(C[C@@H]1CN(S(=O)(=O)C(F)(F)F)Cc2ccnn21)N1CCC1 585095926 UMGCPXAASJSCCQ-SNVBAGLBSA-N 352.338 0.712 0 40 FCAB O=C(NCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1cnccn1 604405552 QCGKXYXPFMABHH-KGLIPLIRSA-N 367.409 0.404 0 40 FCAB biogenic CN(C)C(=O)C[C@]1(O)CCCN(Cc2nc3ccccc3c(=O)n2C)C1 643812876 VRQTZGNTPPECIX-LJQANCHMSA-N 358.442 0.739 0 40 FCAB Cc1cc(O)nc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)n1 1164369421 NGHFRQSFFQKQFV-UHFFFAOYSA-N 368.390 0.810 0 40 FCAB CN(C)CCN1CC[C@]2(CCCN(C(=O)CCc3cncnc3)C2)C1=O 1614948786 UGLNIWLYWNVPEV-IBGZPJMESA-N 359.474 0.812 0 40 FCAB CCOCC(=O)N1CCC(Nc2nccs2)(C(=O)NCCOC)CC1 2055738914 ZQERCEHCHYKHRL-UHFFFAOYSA-N 370.475 0.715 0 40 FCAB CCn1ncc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1C(=O)N(C)C 2804525 HELMSPYROCYWQN-UHFFFAOYSA-N 371.463 0.215 0 40 FCAB COC(=O)CSc1nc2ncc(C(=O)N3CCOCC3)c(C)n2n1 9420994 UUFGPPGBZOMTNG-UHFFFAOYSA-N 351.388 0.170 0 40 FCAB COc1ccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)c(OC)c1OC 10660625 RMELMFFDGZZGKK-UHFFFAOYSA-N 372.443 0.866 0 40 FCAB O=C1NC(=O)[C@H](CCC(=O)N2CCN(c3ccccc3Cl)CC2)N1 12516236 BSPSHXHBYJRBIT-LBPRGKRZSA-N 350.806 0.977 0 40 FCAB CCCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 14251081 AXVMXWOFBIBBAJ-BLLLJJGKSA-N 371.459 0.133 0 40 FCAB O=C(CCNc1ccc(S(=O)(=O)N2CCOCC2)cn1)N1CCCC1 23653359 CRVYXZDHNRCQQF-UHFFFAOYSA-N 368.459 0.527 0 40 FCAB Cn1cnc2c1c(=O)n(CCCn1nnc(-c3ccccc3)n1)c(=O)n2C 31625609 MWFJLKOUUUUCPF-UHFFFAOYSA-N 366.385 0.178 0 40 FCAB C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 40043287 ABEYLKYEHFIQQF-LLVKDONJSA-N 355.460 0.544 0 40 FCAB O=C(NCCNC(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1)C1CC1 56797349 AFBUYIYXVDFHSQ-AWEZNQCLSA-N 359.430 0.968 0 40 FCAB COC(=O)C1CCN(C(=O)Cn2c(-c3cccs3)noc2=O)CC1 58202645 KNJYPYBHDCQHNB-UHFFFAOYSA-N 351.384 0.976 0 40 FCAB Cc1cc(N2CCOCC2)nc2sc3c(=O)n(CC(N)=O)cnc3c12 71282806 ZIEQUXBMEWLVAK-UHFFFAOYSA-N 359.411 0.637 0 40 FCAB CCc1nc(CN2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)no1 81162290 QGTOEDURFMFJLQ-HNNXBMFYSA-N 373.461 0.679 0 40 FCAB Cn1c(=O)c2c(nc(Cl)n2Cc2ncn(-c3ccccc3)n2)n(C)c1=O 95457487 IEMRQJUBOGOXBJ-UHFFFAOYSA-N 371.788 0.716 0 40 FCAB CCOCC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 96002394 RHSIMLDLBJLIAE-HNNXBMFYSA-N 363.462 0.405 0 40 FCAB COCCN1CCOC[C@@]2(CC[C@H](CNC(=O)c3ccnnc3)O2)C1 96063497 FRXVCEOXQZVENY-NVXWUHKLSA-N 350.419 0.103 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@]2(COCCN(c3nncs3)C2)C1 96076810 XCDGWQCTUNDMFK-HNNXBMFYSA-N 353.448 0.120 0 40 FCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N[C@H]3CCCn4ncnc43)ccc21 97013459 RAVAPMNLEPQQQH-NSHDSACASA-N 362.415 0.282 0 40 FCAB O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1ccc(N2CCOCC2)cc1 225785549 ZPGLUNGHVJWXQI-OAHLLOKOSA-N 354.410 0.894 0 40 FCAB O=C(c1ccccc1)N1CCO[C@H](CS(=O)(=O)N2CCOCC2)C1 521397055 VOYPQIZOAITHIM-HNNXBMFYSA-N 354.428 0.190 0 40 FCAB Cc1nnc2n1C[C@@H](C(=O)NC1(c3ccc4c(c3)OCO4)CC1)N(C)C2 644395053 RXXNZXCZFPWCGD-ZDUSSCGKSA-N 355.398 0.935 0 40 FCAB COc1ccc(C(=O)N2CCO[C@H](CN(CC(=O)O)C(C)=O)C2)c(F)c1 681942563 MVBLCWRXHYFAIW-ZDUSSCGKSA-N 368.361 0.608 0 40 FCAB CN(C)S(=O)(=O)N1CCC(CNc2ncnc3c2ncn3C)CC1 1775973574 OHYHGMUMEVGJMY-UHFFFAOYSA-N 353.452 0.294 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)c2ocnc2C)CC1 2055781422 CGNCSJFQVUVSII-UHFFFAOYSA-N 361.402 0.574 0 40 FCAB CC(C)(C)CC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCCC1)CO2 2332243217 SJICVZCJSGSENJ-AWEZNQCLSA-N 358.504 0.913 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)CSc2ccccc2)c(=O)n(C)c1=O 3280669 YZYCLMWSXUQLGD-UHFFFAOYSA-N 363.395 0.184 0 40 FCAB Cn1cnnc1SCC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 3415777 MPJFLMAFMSYTRU-OAHLLOKOSA-N 360.399 0.406 0 40 FCAB COC(=O)N[C@](NS(=O)(=O)c1ccccc1)(C(=O)OC)C(F)(F)F 4336778 FIXMRODUFNLJNT-NSHDSACASA-N 370.305 0.753 0 40 FCAB CC(=O)[C@@H](C(=O)N(C)C)n1cnc2c(nnn2-c2cccc(C)c2)c1=O 4341842 SQSMUAZBIXAQBD-AWEZNQCLSA-N 354.370 0.504 0 40 FCAB CC(C)[C@H](NC(=O)N1CCN(C(=O)N[C@H](C(=O)O)C(C)C)CC1)C(=O)O 5450922 SYIQGUTWMBZDPS-RYUDHWBXSA-N 372.422 0.242 0 40 FCAB CCOCCCn1c(CC(N)=O)nnc1SCC(=O)NCC(C)C 8391532 LKFXTLCMEQUXFT-UHFFFAOYSA-N 357.480 0.597 0 40 FCAB CCCc1cc(=O)[nH]c(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 8763041 BIKGUXKNHGCQFR-LLVKDONJSA-N 359.473 0.460 0 40 FCAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)C2=O 8938181 RMWBUQSDKFESQG-LYRGGWFBSA-N 371.459 0.181 0 40 FCAB COC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 12874253 PDYPVRKHEWCKFZ-SCLBCKFNSA-N 362.382 0.933 0 40 FCAB CN1C=C(OC(=O)CN2C(=O)CCC2=O)c2ccccc2S1(=O)=O 13625497 ILDJTDXDOLHRKI-UHFFFAOYSA-N 350.352 0.311 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C(=O)O)[C@H](C)O 14120426 XSSYFZZDGSORJF-FZMZJTMJSA-N 370.427 0.343 0 40 FCAB Cn1nnnc1-c1cccc(NC(=O)Cn2nnc3ccccc3c2=O)c1 14518868 DMOGERKVVDUOHT-UHFFFAOYSA-N 362.353 0.621 0 40 FCAB COC[C@H](C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16685328 VDZSREIBCKNJFB-XHDPSFHLSA-N 358.398 0.782 0 40 FCAB CC(C)[C@@H](C(=O)NCCCN1CCOCC1)n1nnc2ccccc2c1=O 20624220 PJSOOBOWBPGPHX-KRWDZBQOSA-N 373.457 0.827 0 40 FCAB CS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 24859947 NKKVMAUURFJXEK-CHWSQXEVSA-N 354.428 0.614 0 40 FCAB S=C(NCCN1CCOCC1)NNC(=S)NCc1ccccc1 25195591 IMUUXVPRWHBOPW-UHFFFAOYSA-N 353.517 0.362 0 40 FCAB CS(=O)(=O)Nc1cccc(NC(=O)Cn2nnc3ccccc3c2=O)c1 31979706 MPPBMBSQZMYKMA-UHFFFAOYSA-N 373.394 0.802 0 40 FCAB COc1cc2c(O)nc3c(C(=O)NCCCN(C)C)nnn3c2cc1OC 33435964 FDGDRGMJXKDDNA-UHFFFAOYSA-N 374.401 0.682 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 35300788 HQBYIAHVESNJKO-UHFFFAOYSA-N 359.452 0.126 0 40 FCAB COCCCNC(=O)NC(=O)CN1CCN(c2ccc(O)cc2)CC1 36383677 ISLSCUBLXQIBHF-UHFFFAOYSA-N 350.419 0.377 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 40024867 NNTWXGDNYYNVNQ-ZDUSSCGKSA-N 369.491 0.010 0 40 FCAB Cn1c(=O)c2c(ncn2Cc2csc(-c3ncccn3)n2)n(C)c1=O 53396877 LHNSLLWQGIETKJ-UHFFFAOYSA-N 355.383 0.396 0 40 FCAB CCCn1c(C(=O)N2CCN(CC)CC2)cc2c(=O)n(C)c(=O)n(C)c21 56997090 NRFKTXUABUTINE-UHFFFAOYSA-N 361.446 0.226 0 40 FCAB CC(C)(C)c1ccccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 79111864 SJUBTGQBGMZBOF-GFCCVEGCSA-N 365.455 0.315 0 40 FCAB CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2NCCN(C)C)cc1 80350135 AFAKJWHESKDGLT-CVEARBPZSA-N 374.528 0.340 0 40 FCAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 100506917 QKAFBWKBUZXWJY-MCIONIFRSA-N 356.378 0.894 0 40 FCAB Cn1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c(=O)n(C)c1=O 192889647 HVBKUUWIEFAMRG-UHFFFAOYSA-N 356.429 0.220 0 40 FCAB COc1nccnc1O[C@H]1CCN(S(=O)(=O)c2c(C)noc2C)C1 225390404 FTYINYKOYFANAM-NSHDSACASA-N 354.388 0.932 0 40 FCAB O=C([C@H]1COC2(CN(Cc3ccccn3)C2)CN1CC1CC1)N1CCCO1 247874595 SMXWUAHRAUZSKT-GOSISDBHSA-N 372.469 0.911 0 40 FCAB Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCC1 257233653 GQDFHQCVNDCQFI-BGTYHANMSA-N 371.441 0.590 0 40 FCAB Cc1cnc(C(=O)N2CCOC[C@@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257298808 RNJQAYAQUUDYTI-LLVKDONJSA-N 351.388 0.125 0 40 FCAB Cn1cnc(C(=O)N2CC3(C[C@H](OCC(=O)N4CCCC4)CS3)C2)c1 575404279 RJHUTJDYUPOPQJ-ZDUSSCGKSA-N 364.471 0.759 0 40 FCAB Cc1ncc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)c(N)n1 577757068 JUGYMHJSPLXNPJ-CVEARBPZSA-N 355.398 0.582 0 40 FCAB O=C(CN1CCC[C@@](O)(COc2ccc(F)cc2)C1)N1CCOCC1 585272843 RJWRHKAFAKDYRC-SFHVURJKSA-N 352.406 0.890 0 40 FCAB Cc1ccc(CS(=O)(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cc1 625317143 FVBDSAPUDXCWAD-HZPDHXFCSA-N 351.428 0.682 0 40 FCAB CC(C)N(C)CC(=O)N1CCC2(CC1)COCCN(S(C)(=O)=O)C2 1565555380 ZMSPYRCCZBYGOM-UHFFFAOYSA-N 361.508 0.227 0 40 FCAB COCC(=O)N1CC[C@@]2(C1)CN(c1ccsc1)C(=O)CN2C(C)=O 2055812386 DBXRYDAYMVIZLC-MRXNPFEDSA-N 351.428 0.561 0 40 FCAB Cn1c(N)c(C(=O)CSc2ncnc3ccccc23)c(=O)n(C)c1=O 3245559 WUJOQTOQIBUSDI-UHFFFAOYSA-N 357.395 0.584 0 40 FCAB COc1ccccc1O[C@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@H](O)[C@H]1NC(C)=O 4559895 BUZDTRJMALZTAY-MTSZKFMLSA-N 367.398 0.816 0 40 FCAB COc1cccc(N2CCN(c3nc4c([nH]3)c(=O)n(C)c(=O)n4C)CC2)c1 4818384 PQLFPCJKWOOMIS-UHFFFAOYSA-N 370.413 0.296 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(F)c(F)c2F)n(C)c1=O 4939066 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C/C(NCCN1CCOCC1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 101063080 BSSMLAMHCIEADU-FYWRMAATSA-N 364.446 0.593 0 40 FCAB CN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 193913647 WGZBDUBQFFJEPG-UHFFFAOYSA-N 351.472 0.861 0 40 FCAB CC(C)(C)OC[C@@H](O)CN1CCN(CCNC(=O)C(F)(F)F)CC1 244942714 CWCFWFCXWAZFRM-LBPRGKRZSA-N 355.401 0.459 0 40 FCAB COCC(=O)N1CC2(CCN(Cc3cnn(C)c3)CC2)C[C@@]1(C)CO 257308715 TXVNJQJWEXADGT-KRWDZBQOSA-N 350.463 0.632 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)COc2cccc(N(C)C)c2)CCN1C(C)C 257322736 WHENBNIJWLBJAG-KRWDZBQOSA-N 362.474 0.799 0 40 FCAB CCN(CC)C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2ccnn21 306142988 XQAJYTYNAQHITD-CQSZACIVSA-N 352.464 0.704 0 40 FCAB O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CCC[C@H](N2CCCS2(=O)=O)C1 333243406 BUQLNKGBCITWGD-OLZOCXBDSA-N 368.459 0.554 0 40 FCAB COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)c1 409296873 JASQUYMCGCSSSW-BKEDOTJMSA-N 373.361 0.890 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)O)C3CC3)CC2)cc1 568060023 OIIIMUACUHVJEX-HNNXBMFYSA-N 354.428 0.865 0 40 FCAB O=C(NC[C@@H]1CCC2(CN(C(=O)c3cnccn3)C2)OC1)c1cnccn1 575404072 MCAUGYOUMLIZNE-ZDUSSCGKSA-N 368.397 0.318 0 40 FCAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CN1CCCC1=O 583621805 UKQZTZWNLQFTCI-KBPBESRZSA-N 352.410 0.942 0 40 FCAB CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O 585289124 FENWHDVNBLHALC-JLAAOLFFSA-N 362.474 0.896 0 40 FCAB O=C(CN1CCCC[C@H](O)C1=O)NCc1ccccc1Cn1cccn1 644287148 XHUOFXKXJCBJFW-KRWDZBQOSA-N 356.426 0.921 0 40 FCAB CC(C)N(C)CC(=O)N1C[C@H]2CCn3c(C(=O)NC4CC4)nnc3[C@@H]2C1 1565556388 SINMRHZRJKLRDK-TZMCWYRMSA-N 360.462 0.456 0 40 FCAB CCN=c1ccnc(N2CCN(c3ncccc3S(C)(=O)=O)CC2)[nH]1 2086884744 RTKWSNJQUGGDRN-UHFFFAOYSA-N 362.459 0.455 0 40 FCAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 3311435 KUQNAUVRSKBDDZ-VIIAAUOXSA-N 359.426 0.904 0 40 FCAB Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1C1CCCCC1 4314160 TTZMNWXHIRAMEX-UHFFFAOYSA-N 372.429 0.757 0 40 FCAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCNC1=O 5084338 NIGCJDDBASKZIX-UHFFFAOYSA-N 351.160 0.711 0 40 FCAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)n1cnc2c1c(=O)n(C)c(=O)n2C 6972434 OQVZIRKBBLIPPC-LLVKDONJSA-N 373.388 0.792 0 40 FCAB COC(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 9448819 WDYBIBHSPDBUHH-LLVKDONJSA-N 350.371 0.736 0 40 FCAB COC(=O)[C@@H]1Cc2ncn(C)c2CN1S(=O)(=O)c1ccc(OC)cc1 15676548 DDKGEFQZXZSMTF-AWEZNQCLSA-N 365.411 0.717 0 40 FCAB biogenic,in-vitro C[C@@H](C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1)N1CCOCC1 19078486 IZEPOJOAENDPJT-JKSUJKDBSA-N 373.501 0.891 0 40 FCAB CCn1c(=O)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccc(OC)cc32)c1=O 20757773 INQLFKGBUMGETM-OAHLLOKOSA-N 356.382 0.987 0 40 FCAB biogenic Cn1nnnc1-c1cccc(NC(=O)c2cccc(OCC(N)=O)c2)c1 30625498 QXCUMFVIDBQBBC-UHFFFAOYSA-N 352.354 0.994 0 40 FCAB O=C(CSc1nncc(-c2ccccc2)n1)N[C@@H]1CCS(=O)(=O)C1 30831840 FPZQEVYPQSZIMJ-GFCCVEGCSA-N 364.452 0.934 0 40 FCAB CC(=O)c1ccc(NC(=O)CNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 36359010 SCIAKGHALWLRTH-CYBMUJFWSA-N 353.400 0.314 0 40 FCAB O=C(NCc1cccnc1-n1cncn1)[C@H]1CCCN(c2cnccn2)C1 40108950 HSZQXIYLOVVLDF-HNNXBMFYSA-N 364.413 0.985 0 40 FCAB Cc1ccccc1CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 40162145 CRRNLRBDUVYPTQ-CQSZACIVSA-N 363.439 0.777 0 40 FCAB CS(=O)(=O)N1CCN(c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)CC1 45958006 BEXYZGDXVUTZBU-GFCCVEGCSA-N 367.427 0.206 0 40 FCAB COCc1ccccc1NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 48253277 CRGKOSJFDKNZEQ-KGLIPLIRSA-N 366.439 0.807 0 40 FCAB CC(C)CCn1nc2ccc(S(=O)(=O)N3CCOCC3)cn2c1=O 49408067 NNAGESIHMMIFBB-UHFFFAOYSA-N 354.432 0.563 0 40 FCAB CCOC(=O)CCN(CC1CC1)C(=O)CN1C(=O)c2cccnc2C1=O 71855228 RIYJQJYSHVPIEJ-UHFFFAOYSA-N 359.382 0.869 0 40 FCAB O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCSCC1 72301621 MFSQVUKJNMLONR-OAHLLOKOSA-N 374.466 0.699 0 40 FCAB CC(C)(CNC(=O)c1ccc(S(C)(=O)=O)cc1)N1CCS(=O)CC1 74135696 OHJCPCOCAKQKAX-UHFFFAOYSA-N 372.512 0.663 0 40 FCAB Cc1nc2ncc3c(=O)n(CC(=O)NCCc4ccco4)ccc3n2n1 79479975 KGCOZPVABXVVRC-UHFFFAOYSA-N 352.354 0.700 0 40 FCAB O=C(CCNc1ncccn1)NCCn1c(=O)c(=O)[nH]c2ccccc21 95480051 YMLNDOZSUFGZPW-UHFFFAOYSA-N 354.370 0.098 0 40 FCAB COCCNC(=O)CN1CCN([C@@H](C)c2nnc(CC(C)C)o2)CC1 95956611 JIPWDMURNZJIQQ-AWEZNQCLSA-N 353.467 0.709 0 40 FCAB CNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)N1CCN(C)CC1 96113021 CJDWHNJDGAKLRF-ZWKOTPCHSA-N 358.486 0.582 0 40 FCAB biogenic,in-vitro O=CN(CCCCCO[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 217395623 HDKQYCOTFPCXQY-KGLIPLIRSA-N 367.489 0.006 0 40 FCAB O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1ccc2[nH]c(=O)oc2c1 225804829 OWZFKLBRTAWZCV-UHFFFAOYSA-N 353.294 0.789 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(c1cc(OC)ncn1)CC2 247843427 LUXKTSPVZPNGSR-CYBMUJFWSA-N 370.475 0.610 0 40 FCAB C[C@H](Oc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N1CCOCC1 408607134 QDWJSQYMCMZHRZ-LBPRGKRZSA-N 354.428 0.753 0 40 FCAB COC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 408607389 LSMWKUFIHOQWAM-LLVKDONJSA-N 360.432 0.621 0 40 FCAB Cc1cn(C)c(=O)n(CC(=O)Nc2cccc(N3CCCC3=O)c2)c1=O 664056158 JJAZRIVCTWEBOP-UHFFFAOYSA-N 356.382 0.621 0 40 FCAB Cn1nc(N2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)ccc1=O 2086805478 DENDJVQSGHKTAZ-LLVKDONJSA-N 359.352 0.066 0 40 FCAB CCN=c1nc(N2CCN(CC(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc[nH]1 2086886968 KGRIPEUWKXCJNV-GASCZTMLSA-N 362.478 0.088 0 40 FCAB CC(C)NC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 3016166 FJPHHEHFMAIDBU-CQSZACIVSA-N 369.443 0.065 0 40 FCAB COCCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(OC)ccc3O)cnc21 3381555 FOKGJUHAJYRULA-UHFFFAOYSA-N 371.349 0.676 0 40 FCAB CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 3479771 TVCLQCBDYXUXNJ-ZJUUUORDSA-N 361.354 0.449 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2Cc1ccccc1Cl 4019646 WMQWNGOCKCYSAY-UHFFFAOYSA-N 374.832 0.535 0 40 FCAB CCNC(=O)NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 5261676 APFDYQGQKDDWRW-UHFFFAOYSA-N 372.472 0.804 0 40 FCAB C[C@H]1CCc2c(sc3c2c(=O)n(CC(=O)O)c(=O)n3CCN(C)C)C1 6764218 RLOLUEBFYOTQCD-JTQLQIEISA-N 365.455 0.996 0 40 FCAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 7990920 ZVPYVAYDGZZFRD-HNNXBMFYSA-N 351.432 0.367 0 40 FCAB Cn1nc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1=O 14187673 AIQNDFMHUQJUFC-GFCCVEGCSA-N 356.382 0.941 0 40 FCAB CCc1noc(CCC(=O)N2CCO[C@@H](C(=O)N3CCCCC3)C2)n1 19747142 BIIPILHMPCBEFG-CYBMUJFWSA-N 350.419 0.805 0 40 FCAB CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22228063 SKAXFMWIUUAJBV-UHFFFAOYSA-N 362.473 0.189 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3C3CC3)CC2)s1 24951966 IMHWJRKVGSDQDI-UHFFFAOYSA-N 368.488 0.884 0 40 FCAB Cn1cc(/C=C/C(=O)Nc2cccc(-n3cccn3)c2)c(=O)n(C)c1=O 45784754 NDVDHPXGYAXBOU-BQYQJAHWSA-N 351.366 0.922 0 40 FCAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)ccc1OC 57424525 KCWNFIFIWOIUAW-NSHDSACASA-N 363.457 0.902 0 40 FCAB Cn1cc(CN2CCO[C@]3(COCCN(Cc4ccncc4)C3)C2)cn1 96049830 LCAWGSCLAHSINK-IBGZPJMESA-N 357.458 0.919 0 40 FCAB CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NCCN(C)C 96113034 WJWCFWKQRMKVRO-JKSUJKDBSA-N 350.438 0.755 0 40 FCAB biogenic,in-vitro O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)NC3CC3)CC2)O1 96243631 NWEWFKFJVXXXDQ-HNNXBMFYSA-N 373.457 0.971 0 40 FCAB Cn1cc(C(=O)N2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)cn1 248082814 ASOMLALCPNWTDX-AWEZNQCLSA-N 353.444 0.476 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cc(-c3cc[nH]n3)ncn2)C1 257210594 BVIAQTFFWXSKJB-GFCCVEGCSA-N 350.448 0.928 0 40 FCAB COCCn1nnc2c1CCN(C(=O)N[C@H]1CC(=O)N3CCCC[C@H]13)C2 514989123 BZHJGESMZTXTBO-GXTWGEPZSA-N 362.434 0.146 0 40 FCAB O=C(c1cc(N2CCOCC2)ccn1)N1CCC[C@H](N2CCNC2=O)C1 527384816 DKUWSSYGCXZUKM-HNNXBMFYSA-N 359.430 0.548 0 40 FCAB CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccccc2C(=O)O)CC1 566912289 CVHSOMBYQFSARG-UHFFFAOYSA-N 362.429 0.041 0 40 FCAB CC(C)(C)OC(=O)Cn1cc(I)c(O)nc1=O 581380834 GYLILQXIKLSUKW-UHFFFAOYSA-N 352.128 0.895 0 40 FCAB CN(C)CCN1CC[C@]2(CN(C(=O)C3CC(O)C3)CC(F)(F)C2)C1=O 585093492 ZQRKUCXTPNXNPO-ZUEPYMLJSA-N 359.417 0.405 0 40 FCAB O=C(Nc1cnccn1)[C@@H]1CO[C@@H]2CN(C(=O)Cc3ccccn3)C[C@@H]21 585108566 VFQUJBHPFLUTBC-RBSFLKMASA-N 353.382 0.526 0 40 FCAB Cn1cc(N2CCC(NC(=O)CCc3ccccc3)CC2)c(=O)n(C)c1=O 1889122654 VVAZKLVQFBXKSW-UHFFFAOYSA-N 370.453 0.802 0 40 FCAB COc1ncccc1CN[C@@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055729962 JVNXFJKEESYUPV-GFCCVEGCSA-N 366.443 0.775 0 40 FCAB Cc1cc(C)n2nc(C(=O)OCC(=O)NC(=O)NC3CCCC3)nc2n1 2627317 BROAOCKZOXYKOV-UHFFFAOYSA-N 360.374 0.666 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3c(C)nn(C)c3C)[C@@H]2SC1 2783861 ZUUVNGPHBJSYKK-YGRLFVJLSA-N 350.400 0.409 0 40 FCAB COCCn1c(=O)[nH]c2cc(C(=O)NCc3cccnc3)ccc2c1=O 3906582 ATKMQBJCKQPPEA-UHFFFAOYSA-N 354.366 0.661 0 40 FCAB OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Cc1ccc(OCc2ccccc2)cc1 3937874 JXCALVWIRLVTDI-VNTMZGSJSA-N 359.422 0.525 0 40 FCAB Cc1cn([C@H]2C[C@H](O)[C@H](CO)O2)c(=O)n(CCCc2ccccc2)c1=O 4962155 LGNMCLVPLLWTIZ-YESZJQIVSA-N 360.410 0.592 0 40 FCAB Cc1cn([C@H]2C[C@@H](O)[C@H](CO)O2)c(=O)n(CCCc2ccccc2)c1=O 4962158 LGNMCLVPLLWTIZ-IXDOHACOSA-N 360.410 0.592 0 40 FCAB CC1(C)S[C@H]2[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O 5497151 LSQZJLSUYDQPKJ-DEKYYXRVSA-N 365.411 0.024 0 40 FCAB O=C(NC[C@H]1O[C@@H](CC(=O)N2CCCC2)[C@H](O)[C@@H]1O)c1cccc(F)c1 8643392 IBQFNFYXKHYUEY-HDEZJCGLSA-N 366.389 0.057 0 40 FCAB biogenic,in-vitro CCN1C(=O)[C@H](NC(=O)C(=O)NCCCn2ccnc2)c2ccccc21 9059545 QCUNBVRJYFEGII-OAHLLOKOSA-N 355.398 0.613 0 40 FCAB O=C(c1ccc[nH]c1=O)N1CCN(S(=O)(=O)c2cccs2)CC1 9366631 NJEPOABQJXGNCD-UHFFFAOYSA-N 353.425 0.583 0 40 FCAB Cc1nn2c(NC(=O)CSc3nnc(N)s3)csc2nc1=O 12390390 LLPVUIZTFXENAP-UHFFFAOYSA-N 355.430 0.624 0 40 FCAB O=C(CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NC1CC1 14197512 FFVAEPCPFXBHLV-UHFFFAOYSA-N 357.407 0.537 0 40 FCAB CCNS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OC 16681766 DEXVQAWMNXDXDQ-UHFFFAOYSA-N 369.443 0.331 0 40 FCAB CS(=O)(=O)Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 21473534 AEWBESPHHFHQDH-UHFFFAOYSA-N 365.411 0.045 0 40 FCAB O=C(c1cccc(CN2C(=O)CNC2=O)c1)N1CCN(C(=O)C2CC2)CC1 25590026 KDKOSKYABMVUQE-UHFFFAOYSA-N 370.409 0.433 0 40 FCAB C[C@H]1Oc2ccccc2N(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1=O 40024645 LRGRCSBHRIXIHN-NEPJUHHUSA-N 352.412 0.446 0 40 FCAB CN1C(=O)[C@@H](NC(=O)C(=O)NCC2(N(C)C)CCCC2)c2ccccc21 44892240 DHSGDMHUSZLPLH-HNNXBMFYSA-N 358.442 0.811 0 40 FCAB CCN1C[C@H](C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1=O 58305690 BGPXJWPYRSXNMT-OAHLLOKOSA-N 358.442 0.320 0 40 FCAB COC(=O)c1sc(NC(=O)Cn2nnc3ccccc3c2=O)nc1C 70812311 MQFYJPSFKMAIII-UHFFFAOYSA-N 359.367 0.982 0 40 FCAB CNC(=O)N1CCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 72309956 LZFHYDCYOKENMT-CQSZACIVSA-N 352.341 0.941 0 40 FCAB O=C(NCCSCC(F)(F)F)C1=CN2CCS(=O)(=O)N=C2C=C1 95455890 JIZRLERYKQTWFK-UHFFFAOYSA-N 369.390 0.896 0 40 FCAB CNS(=O)(=O)c1cc(/C=C/C(=O)NCCCC(=O)O)ccc1OC 95956898 WQUQDPLNSMYAJO-SOFGYWHQSA-N 356.400 0.598 0 40 FCAB CN1C[C@H](C(=O)O)CN2CCN(C(=O)c3ccc4[nH]ccc4c3)C[C@@H]2C1 96064116 ZOGJLSPFHMPGFU-HOTGVXAUSA-N 356.426 0.941 0 40 FCAB CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 96104225 WMHDLUKHLFIFRP-UHFFFAOYSA-N 366.486 0.062 0 40 FCAB CS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C(=O)Cc3ccccc3)C2)C1 96218812 CTYFRJMZWNOGLZ-DOTOQJQBSA-N 352.456 0.928 0 40 FCAB COC(=O)CC1CCN(C(=O)CCc2nnc3ccc(OC)nn23)CC1 96230930 ZEIFCAVDXUSMAO-UHFFFAOYSA-N 361.402 0.867 0 40 FCAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)O 98031698 AFRGIWICJULDKF-MNOVXSKESA-N 358.391 0.816 0 40 FCAB Cc1noc(-c2cccn3c(CNC(=O)c4ccc[n+]([O-])c4)nnc23)n1 225748233 CHVZOVXTVVZMKQ-UHFFFAOYSA-N 351.326 0.651 0 40 FCAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)[C@H]1CCS(=O)(=O)C1 238878089 OOISSYJVYDGKQY-QMMMGPOBSA-N 362.333 0.799 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)Cc3cccs3)C2)CN1CC1CC1 247973903 VMXDCGZZIGLEEI-HNNXBMFYSA-N 363.483 0.728 0 40 FCAB CN(CC(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1)S(C)(=O)=O 575610231 UTBFCNDLSAISRR-LLVKDONJSA-N 362.839 0.391 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cnc(-c3cn[nH]c3)cn2)CC1 585180229 ZEPYCGQYKSFFCN-UHFFFAOYSA-N 350.448 0.928 0 40 FCAB COC[C@@]1(CC(=O)N(C)C)CN(Cc2cnc(N(C)C)nc2)CCO1 585277625 NRYGBQZNBIBPDX-QGZVFWFLSA-N 351.451 0.238 0 40 FCAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NCc3ccc4c(c3)OCO4)[C@H]3CO[C@@H]2O3)c1 952844734 HXCQAWQEFYEQQY-HSFUPAIVSA-N 359.382 0.736 0 40 FCAB biogenic,in-vitro CN(C1CN(c2ccc3nncn3n2)C1)S(=O)(=O)CCc1ccccc1 952987258 UZTJOWLMBJPRAN-UHFFFAOYSA-N 372.454 0.817 0 40 FCAB O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NC1CCNCC1 1549160199 BFXOGNOTRWTZOW-RCCFBDPRSA-N 361.421 0.554 0 40 FCAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CCO2)C1=O 1565548853 KZEITCAXUFLSGH-PHSQPZKOSA-N 356.422 0.732 0 40 FCAB CC(C)N1C[C@@H]2[C@H]3C[C@@H](CN(C(=O)c4csnn4)C3)[C@H]2S1(=O)=O 1565550205 UPJQEGOJUNHFDU-MEWQQHAOSA-N 356.473 0.669 0 40 FCAB Cn1c(O)nc(N2C[C@H]3CN(c4ncnc5cnccc45)C[C@H]3C2)cc1=O 1888890190 YVZUEIOODZMIMI-TXEJJXNPSA-N 365.397 0.397 0 40 FCAB C[C@@H](c1ccccc1)n1c(N2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C 894419 OZJASCJKXWVJDK-LBPRGKRZSA-N 354.414 0.442 0 40 FCAB CC(C)CNC(=O)NC(=O)COC(=O)c1cccc(S(C)(=O)=O)c1 3409762 QOYXMDCUWSCMBQ-UHFFFAOYSA-N 356.400 0.729 0 40 FCAB CCN1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 4374426 OKZDDCGOQYMVPE-AWEZNQCLSA-N 374.441 0.910 0 40 FCAB CCOC(=O)COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC 6954963 MBOISOFDQCCTLS-UHFFFAOYSA-N 364.379 0.551 0 40 FCAB COC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 9737617 GRRUOSISWYJYEB-SFHVURJKSA-N 359.382 0.810 0 40 FCAB COCCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 19855558 FWFYFNYWNAKFDJ-UHFFFAOYSA-N 365.249 0.978 0 40 FCAB COCCn1cnnc1SCC(=O)NC[C@H]1COc2ccccc2O1 32849174 GQKBRDBCQVLHHL-LBPRGKRZSA-N 364.427 0.973 0 40 FCAB Cn1nc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)ccc1=O 38728650 OHROOYUKTOVDNX-HOTGVXAUSA-N 366.421 0.868 0 40 FCAB CN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 40009528 TXGLWSZOCRADRF-AWEZNQCLSA-N 372.468 0.486 0 40 FCAB COC(=O)Cc1nnn(CC(=O)NC[C@H](C)c2nc3ccccc3s2)n1 58181202 ZNYKCMDUPPBFIA-JTQLQIEISA-N 374.426 0.918 0 40 FCAB O=S1(=O)Cc2cnc(NCC3CC3)nc2[C@H]2CN(c3ccncn3)C[C@H]21 96083418 UVYYCXHHWVMJBF-UONOGXRCSA-N 372.454 0.989 0 40 FCAB COC[C@@H]1CC2(CCN(C(=O)N3CCCC3)CC2)CN1S(C)(=O)=O 96208642 LVQYSHAZBGJNCQ-AWEZNQCLSA-N 359.492 0.965 0 40 FCAB Cc1cc(C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)[nH]n1 96230496 NTKPJVLQFLEHCH-SFHVURJKSA-N 354.414 0.676 0 40 FCAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CCC4)C3)C2=O)o1 225397212 ZDWJBKQTZWMDPX-ZBFHGGJFSA-N 359.426 0.499 0 40 FCAB biogenic,in-vitro O=C(c1cnn2cccnc12)N1CCO[C@H](CCc2cc(O)ncn2)C1 257207320 BHFMGMHVWCQHJG-CYBMUJFWSA-N 354.370 0.699 0 40 FCAB Cc1ncsc1C(=O)N1CC[C@@H](n2ccc(O)nc2=O)[C@](C)(O)C1 257211408 BYTQJMXLVIDHTK-MEBBXXQBSA-N 350.400 0.552 0 40 FCAB CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)C1 273625495 BLHORUGZQIADHG-SNVBAGLBSA-N 374.390 0.436 0 40 FCAB Cc1cc([C@@]2(C)NC(=O)N(Cc3cc(=O)n(C)c(=O)n3C)C2=O)c(C)o1 299670269 SASCKKUUCXLJOX-QGZVFWFLSA-N 360.370 0.261 0 40 FCAB C[C@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1C(=O)C1CC(F)C1 585097929 PMXPQXDOQDWYHV-HSBZDZAISA-N 364.421 0.936 0 40 FCAB O=C(c1c(F)cccc1Cl)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 585288180 PWMXBRUDYOZOFO-NFAWXSAZSA-N 358.797 0.358 0 40 FCAB COCCNC(=O)[C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]2OCC[C@H]21 1565544489 LZRLMNFLQAJDBX-ARFHVFGLSA-N 362.430 0.035 0 40 FCAB O=C([C@H]1NCC[C@@H]1O)N1CCC2(CC1)CN(Cc1nccs1)CCO2 1565549165 MZTWTYUGZMNHCB-ZFWWWQNUSA-N 366.487 0.059 0 40 FCAB Cc1nc2ncnn2c(N2CCN(c3ccc(N(C)C)nn3)CC2)c1C 1889136332 RERBADLUAVKINC-UHFFFAOYSA-N 353.434 0.924 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2ccc3c(c2)OCO3)CC1 2055745816 DGYIKDSMFWFYTP-UHFFFAOYSA-N 371.441 0.763 0 40 FCAB Cc1cc(OS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)n(C(N)=S)n1 11691469 MCFOMHNBHQWQQV-UHFFFAOYSA-N 353.385 0.221 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 12787860 DTJNAQUHHAEIFU-UHFFFAOYSA-N 373.818 0.524 0 40 FCAB COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4C)CC2)cc1 13532684 WKZCURWRRYSBML-UHFFFAOYSA-N 367.413 0.658 0 40 FCAB Cc1c(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(=O)oc2cc(O)cc(O)c12 13654962 FNJWCPTUOJZUBG-SECBINFHSA-N 367.379 0.358 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16025218 NWFXSQZYYDXSSS-WGDDSDEBSA-N 370.409 0.083 0 40 FCAB O=C1CCc2cc(S(=O)(=O)NCCNC(=O)c3ccncc3)ccc2N1 19346338 CXDSVEGPYRGSBF-UHFFFAOYSA-N 374.422 0.675 0 40 FCAB Cc1cc(NC(=O)Cn2cccc(C(=O)N[C@@H]3CCCN(C)C3)c2=O)no1 19750129 OUMUBGYXMBUCHN-CYBMUJFWSA-N 373.413 0.607 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 21334627 OTXSHFPCNVBKQP-NSHDSACASA-N 369.443 0.086 0 40 FCAB C[C@@H]1Oc2ccccc2N(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)C1=O 22553074 HVAQOISMPIAHHQ-ZBEGNZNMSA-N 352.412 0.494 0 40 FCAB NC(=O)c1ccc(NC(=O)COCC(=O)Nc2ccc(C(N)=O)cc2)cc1 32753126 FBEJIUIXIRSQMA-UHFFFAOYSA-N 370.365 0.478 0 40 FCAB COCCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C1CC1 40122486 OOVYMUGWJVCCMB-UHFFFAOYSA-N 357.432 0.287 0 40 FCAB CCNC(=O)[C@@H](C)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 57745771 BFPIEUQLYHXXPF-LLVKDONJSA-N 361.423 0.989 0 40 FCAB CS(=O)(=O)Cc1cccc(NC(=O)Cn2nnc3ccccc3c2=O)c1 60214478 KFTLNYVBEHXOQQ-UHFFFAOYSA-N 372.406 0.975 0 40 FCAB Cc1nc2ncc3c(=O)n(CC(=O)N[C@@H]4CCOC(C)(C)C4)ccc3n2n1 79474834 DUYZBXSBDRASBQ-GFCCVEGCSA-N 370.413 0.821 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NC[C@@H](O)c2ccc3c(c2)CCO3)CC1 90744273 KMQYYINIDPOGAJ-OAHLLOKOSA-N 368.455 0.443 0 40 FCAB Cn1cccc1C(=O)NCc1cnc2n1CCN(C(=O)c1cnccn1)C2 96061960 MAHXHYRLVBOHOZ-UHFFFAOYSA-N 365.397 0.598 0 40 FCAB O=C1COC2(CCN(S(=O)(=O)C3CC3)CC2)CN1Cc1ccccn1 96074965 CLPABZNZFJDSJN-UHFFFAOYSA-N 365.455 0.767 0 40 FCAB O=S(=O)(C1CC1)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1 96229130 JLIDULQLQUVRPP-MRXNPFEDSA-N 352.460 0.888 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(=O)c1ccco1)CCN(C(=O)N(C)C)C2 97952806 ZJZNKWWJIFAOCJ-GOSISDBHSA-N 362.430 0.958 0 40 FCAB O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1CCn2cncc2C1 153542081 CLLBKOLOAMEMKO-YOPIWALVSA-N 354.410 0.369 0 40 FCAB COCCN1C(=O)CC[C@@H](C(=O)NCCO)[C@@H]1c1ccccc1OC 257338229 YWMSJVTUNBOMFM-PBHICJAKSA-N 350.415 0.730 0 40 FCAB Cc1ccc(NC(=S)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575420081 FKDNJCHNMKWSMV-NEPJUHHUSA-N 358.441 0.236 0 40 FCAB O=C(O)[C@H]1O[C@@H](Oc2ccc(Cl)c3cccnc23)[C@H](O)[C@@H](O)[C@@H]1O 575436343 PAGDKVCRDHCKOY-DKBOKBLXSA-N 355.730 0.159 0 40 FCAB in-vitro CN(C)C(=O)c1ccc(N2CCN(c3ccc(F)cc3C(N)=O)CC2)nn1 621357212 HYANCFVRZLBILM-UHFFFAOYSA-N 372.404 0.743 0 40 FCAB CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 659394261 QJUBQSGZXDUCDZ-GPMSIDNRSA-N 361.442 0.902 0 40 FCAB O=C(CN1CCN(c2nccc(N3CCOCC3)n2)CC1)N1CCCC1 675719654 CLCDDAGHDZRLDE-UHFFFAOYSA-N 360.462 0.058 0 40 FCAB O=C(Cn1cnnn1)N1CCC[C@@]2(CCCN(Cc3ccccn3)C2)C1 2056224424 IZFWKRCATHOYIH-GOSISDBHSA-N 355.446 0.973 0 40 FCAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(N)=O)c2)C[C@@H](C)O1 3275518 LKAZYRZXCWXYFG-GHMZBOCLSA-N 356.400 0.127 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)c2c(F)cccc2Cl)c(=O)n(C)c1=O 3466169 HEWRAMJJAPGOEH-UHFFFAOYSA-N 369.736 0.498 0 40 FCAB CCCn1c(C)c(C)n2c3c(=O)n([C@@H](C)C(=O)OC)c(=O)n(C)c3nc12 4314428 VRHAZSVBIFDWMA-NSHDSACASA-N 361.402 0.910 0 40 FCAB Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OCc1ccccc1 4983312 GUCMSLDJFPHTIR-SYEQVDHESA-N 357.370 0.245 0 40 FCAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 11038304 LWSYYGPNWZPOHV-GFCCVEGCSA-N 374.484 0.456 0 40 FCAB CC(C)[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 12550885 JQGRWSRPVMRFLX-HNNXBMFYSA-N 369.425 0.947 0 40 FCAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCOCC3)N2)cc1 13844460 VYNIUPWGEGUKBD-CQSZACIVSA-N 359.386 0.160 0 40 FCAB COCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 14291862 IWZCFDWZCMWBJJ-UHFFFAOYSA-N 372.443 0.482 0 40 FCAB COCC(=O)NCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 22733047 LFOPJOKBLDZIKM-UHFFFAOYSA-N 355.460 0.064 0 40 FCAB C[C@H](NC(=O)C(C)(C)C)C(=O)O[C@@H](C)C(=O)Nc1ncnc2nc[nH]c12 29683766 UZHZVEOALKVYKH-IUCAKERBSA-N 362.390 0.774 0 40 FCAB COCC(=O)N1CCCc2ccc(NC(=O)CN3C(=O)CCC3=O)cc21 38677736 OKPQMUDTNJTYAI-UHFFFAOYSA-N 359.382 0.700 0 40 FCAB O=C(CN1CCN(c2ccc(Br)cn2)CC1)N1CCOCC1 48059893 TYLLACSUDBOTTO-UHFFFAOYSA-N 369.263 0.825 0 40 FCAB O=C(COCC(F)(F)F)NCCNS(=O)(=O)Cc1ccccc1 48301852 AWYZGLLMXUVRPR-UHFFFAOYSA-N 354.350 0.801 0 40 FCAB CS(=O)(=O)c1ccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)cn1 69921590 YKANKVLBPCVSBO-CQSZACIVSA-N 368.459 0.814 0 40 FCAB Cc1cc(C)n(CCNC(=O)c2coc(NC(=O)c3cnccn3)n2)n1 75157958 AYPPQDMCATYXQS-UHFFFAOYSA-N 355.358 0.960 0 40 FCAB CCN1CCN(Cc2ccccc2CNC(=O)N2CCNC(=O)C2)CC1 79980302 TUNGUDPPUNHYJB-UHFFFAOYSA-N 359.474 0.466 0 40 FCAB Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c(=O)[nH]c1=O 91876471 VXEZMIYXKALUMW-DZGCQCFKSA-N 369.425 0.205 0 40 FCAB O=C1CCCN1CC(=O)N1[C@@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 100119328 PGHCWOJPUTXJOK-ZIAGYGMSSA-N 366.421 0.935 0 40 FCAB COc1ccc(S(=O)(=O)Nc2ncc(CCC(=O)O)c(=O)[nH]2)cc1 223448099 ZJGCDHMZRGRMBX-UHFFFAOYSA-N 353.356 0.597 0 40 FCAB CC(C)c1nccn1CCC(=O)NC[C@]1(O)CCN(c2cnccn2)C1 257309851 UCQISKNYASRCIF-GOSISDBHSA-N 358.446 0.944 0 40 FCAB Cn1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C(N)=O)C2)ccc1=O 257337191 YRUFYWNACZVJEM-MRXNPFEDSA-N 354.410 0.197 0 40 FCAB CC(C)Cc1cc(C(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)n(C)n1 257337273 YSCTYVOXNBTPET-BFYDXBDKSA-N 350.463 0.573 0 40 FCAB O=C1CC(C(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)CC(=O)N1 575606020 JBKKZQFPIXFYAF-CQSZACIVSA-N 364.423 0.428 0 40 FCAB CCS(=O)(=O)N1CCC[C@H](c2nn(CCOC)c(=O)n2C2CC2)C1 585233502 FJVDAXLYNIOQSH-LBPRGKRZSA-N 358.464 0.555 0 40 FCAB Cc1ccc(CNC(=O)CN2CCO[C@@H](C(=O)N3CCOCC3)C2)cc1 1888929670 QYSGVTJBNQYQRI-QGZVFWFLSA-N 361.442 0.171 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3nn(C)cc3Cl)[C@@H]2SC1 2739337 HIWQXSOSGUJLGS-PELKAZGASA-N 356.791 0.446 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1 3385493 ATRNDZYISNHOGL-UHFFFAOYSA-N 369.428 0.285 0 40 FCAB COc1ccc(-c2nnc(NC(=O)CN3C(=O)CCC3=O)o2)c(OC)c1 4330077 XLZOCCDELVVTGG-UHFFFAOYSA-N 360.326 0.841 0 40 FCAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N1CCNC1=O 5261717 UQMHOFBQXIQWRZ-UHFFFAOYSA-N 370.456 0.510 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCC(=O)N1CCCC1 9576268 AASJRFNAETVFRD-UHFFFAOYSA-N 367.471 0.988 0 40 FCAB O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NC[C@H]1CCCO1 12879983 LTCLUKBPOWZTIP-LLVKDONJSA-N 362.411 0.921 0 40 FCAB Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCCC(=O)O)ccc12 12899689 ZNUOMPYWWRGCCO-UHFFFAOYSA-N 362.338 0.187 0 40 FCAB biogenic O=C(CNC(=O)C(=O)NCCc1cccs1)NC(=O)NC1CCCC1 14197273 WAIZTIZPBRIZDX-UHFFFAOYSA-N 366.443 0.291 0 40 FCAB CCS(=O)(=O)N(CC(=O)N[C@H](C)COC)c1ccc2c(c1)OCCO2 14398710 GGKIUISSGWBJJE-GFCCVEGCSA-N 372.443 0.765 0 40 FCAB C[C@@H](CN1CCOCC1)C(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19456276 GBRTUDAWLIAJFG-HOTGVXAUSA-N 373.501 0.797 0 40 FCAB CN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CCCCC1 22354691 AXGVQDHYEUJMJA-ZDUSSCGKSA-N 355.460 0.943 0 40 FCAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(CC)CC2)cc1 39986697 BAOQGGNTQNOTJM-UHFFFAOYSA-N 369.487 0.918 0 40 FCAB CNC(=O)[C@@H](CC(C)C)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 40122648 FCTAOUNKXZUWTG-YNAXMUEKSA-N 366.462 0.764 0 40 FCAB CN1C(=O)N(CC(=O)NCCN2CCOCC2)C(=O)C12CCCCC2 53275756 WSNLBUSUKVJGPQ-UHFFFAOYSA-N 352.435 0.032 0 40 FCAB CN(C1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)S(C)(=O)=O 58217727 URWAETPXIGSQBT-UHFFFAOYSA-N 374.484 0.586 0 40 FCAB CN(CCN1CCOCC1)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 96000151 KORKKNGHYBZVFF-UHFFFAOYSA-N 367.471 0.105 0 40 FCAB CC(=O)NCC(=O)N1CCc2nc(N3CCCC3)nc(NC3CC3)c2C1 96254130 LYMDMLCJMCAEGJ-UHFFFAOYSA-N 358.446 0.672 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(C(=O)c1ccco1)CCN(C(=O)N(C)C)C2 97952805 ZJZNKWWJIFAOCJ-SFHVURJKSA-N 362.430 0.958 0 40 FCAB CC(=O)[C@@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@]41Br)C21OCCO1 101405264 FCTNJUJIKYLXCW-NCKBLKPWSA-N 369.211 0.947 0 40 FCAB CN(C)C(=O)COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1F 226686910 ASVHJLMJHLCCLL-NSHDSACASA-N 360.407 0.750 0 40 FCAB CNc1ncnc2c1ncn2[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@@H]1O 257288373 PTYWMKAMMOHPDG-BSJXLVFVSA-N 364.406 0.428 0 40 FCAB Cn1ccnc1[C@@H]1CNCCN1C(=O)Cn1cnc(-c2ccccc2)n1 566102648 HOBIFBWSTCWPLX-HNNXBMFYSA-N 351.414 0.852 0 40 FCAB CCn1nncc1CNc1ccc(S(=O)(=O)N2CCCCC2)cn1 571416560 KRIUUEXUJINDKL-UHFFFAOYSA-N 350.448 1.480 0 40 FCAB COc1nc(CNS(=O)(=O)Cc2noc3ccccc23)nc(OC)n1 575608652 WZKCEYITQCYQEL-UHFFFAOYSA-N 365.371 0.650 0 40 FCAB COC[C@](C)(CNS(=O)(=O)c1cc(C(=O)OC)ccc1OC)OC 575611919 IMLCMKWQAXPTCZ-HNNXBMFYSA-N 361.416 0.812 0 40 FCAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(C)(=O)=O)C[C@@H]4C3)ncn2)n1 585614401 GSWMJRBJFNEYCJ-KBPBESRZSA-N 362.459 0.607 0 40 FCAB CSC[C@H]1CCCN1C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 595238875 ZUJKEIPRVLFHOW-SNVBAGLBSA-N 354.432 0.995 0 40 FCAB Cc1c([C@@H]2[C@@H](C(=O)NCc3ncn(C)n3)CC(=O)N2C2CC2)cnn1C 613187401 MBOQKMJOXZBNPF-LRDDRELGSA-N 357.418 0.225 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@]2(COCCN(Cc3ccncc3)C2)C1 1565544760 QJXJANPDIOAKEF-DOADOZAASA-N 373.453 0.404 0 40 FCAB CN(C)c1ncnc2c1ncn2CCn1cnc2c(N(C)C)ncnc21 1684962 RWDBBSOPBZYBEH-UHFFFAOYSA-N 352.406 0.798 0 40 FCAB in-vitro O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N1CCCCCC1 4278359 DYHIZRQXCDCYLN-UHFFFAOYSA-N 359.382 0.636 0 40 FCAB Cc1ccc(C(=O)O[C@@H]2C[C@@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)cc1 4460540 ZXFPNUSVNGMMMZ-KFWWJZLASA-N 360.366 0.659 0 40 FCAB CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1 7262463 PDKQXQHHIDXVFP-ZDUSSCGKSA-N 363.439 0.845 0 40 FCAB O=C(Nn1cnnc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683684 GYEFJNJKQJDRQJ-LBPRGKRZSA-N 355.807 0.855 0 40 FCAB Cc1nc(SCCC(N)=O)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 8745916 IIVNZLCLBSIMCU-UHFFFAOYSA-N 351.432 0.422 0 40 FCAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 9853920 ISOLXPSOTZFQSX-ZDUSSCGKSA-N 354.428 0.568 0 40 FCAB CCOC(=O)CN1CC[C@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 12232829 LMKHZMLJPBUHNV-MRXNPFEDSA-N 367.427 0.662 0 40 FCAB CN1CC(=O)N(CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)C1=O 14246520 OLLKXOKQAUXACI-UHFFFAOYSA-N 364.833 0.878 0 40 FCAB CN1C[C@H](C(=O)N2C[C@@H](c3ccccn3)[C@@]3(CCCCC(=O)N3)C2)CC1=O 19587365 BXAKBEBLOMMKAH-QEEYODRMSA-N 370.453 0.915 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc(Br)c1 20489234 DNLJFVCOWUKPKE-UHFFFAOYSA-N 360.189 0.935 0 40 FCAB Cc1ccc(C)c(N(CC(=O)NCCN(C)C)S(=O)(=O)N(C)C)c1 22525569 ATQUNAZQEKAUNQ-UHFFFAOYSA-N 356.492 0.594 0 40 FCAB COc1cc2ncn(CCC(=O)NCCCN(C)C)c(=O)c2cc1OC 32124286 XFNLBDFCFUVLQN-UHFFFAOYSA-N 362.430 0.872 0 40 FCAB biogenic CN1CCN(C[C@@H](CC(=O)Nc2cccc3nsnc23)C(=O)O)CC1 72405841 XCINGTBWSIUPDM-LLVKDONJSA-N 363.443 0.968 0 40 FCAB NC(=O)C1CCN(S(=O)(=O)N2CCO[C@H](c3ccccc3)C2)CC1 84525607 XQVSPSLVJWTFPC-HNNXBMFYSA-N 353.444 0.502 0 40 FCAB C[C@H](O)CN1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)CC1 85436819 KELFNFFVCIPJDP-LBPRGKRZSA-N 358.398 0.944 0 40 FCAB CC(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(C)C[C@@H]32)C1=O 95346234 XGFZCAHWDPTRQK-BEFAXECRSA-N 356.426 0.836 0 40 FCAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCn1ccnn1 96007944 DCKTUPAGAPAMCS-UHFFFAOYSA-N 373.438 0.916 0 40 FCAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(S(=O)(=O)CC)CC3)C1=O 96036515 RMXSPSWQESEKPR-QGZVFWFLSA-N 371.503 0.519 0 40 FCAB Cc1nnc(C[C@@H]2C[C@H]3CN(S(=O)(=O)c4cn(C)cn4)C[C@H]3O2)o1 96220207 SOSHLODCSRLPSA-SDDRHHMPSA-N 353.404 0.132 0 40 FCAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1CC(=O)N(CC(F)(F)F)C1 106750369 IXBHWWQCFYLATO-NWDGAFQWSA-N 371.363 0.972 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1ccncc1)CC2 247827187 GDFDHXFAWNMPKP-HNNXBMFYSA-N 367.471 0.842 0 40 FCAB CCN(CC)S(=O)(=O)N1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1 257267524 MHQMPDKWBDLZAS-ZIAGYGMSSA-N 358.416 0.395 0 40 FCAB CN(CC1CC1)S(=O)(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 331494606 NHIIDXXEZXFOMW-CHWSQXEVSA-N 353.510 0.271 0 40 FCAB COCC(=O)N1CCn2cc(CC(=O)NCc3ccccn3)nc2[C@@H]1C 585098283 SZHVZVUCCHUVAT-ZDUSSCGKSA-N 357.414 0.687 0 40 FCAB CCS(=O)(=O)NCC[C@H]1CN(Cc2cnn(C)c2)Cc2ccnn21 585112564 SUMATRKTLFQXTF-HNNXBMFYSA-N 352.464 0.503 0 40 FCAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)Cn2ncc3ccccc32)C1 685941901 CYAVDRWPALPUOL-SQWLQELKSA-N 354.414 0.836 0 40 FCAB Cn1cccc(C(=O)N2CCCn3nnc(Cn4cccn4)c3C2)c1=O 1565546829 FFDLIURKNAUMMX-UHFFFAOYSA-N 353.386 0.268 0 40 FCAB CS(=O)(=O)CCC(=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 1565552734 UWUGTLMPXMJJMQ-HOTGVXAUSA-N 367.471 0.318 0 40 FCAB COCCNC(=O)c1cnc2n1[C@H](CNC(=O)CN(C)C(C)C)CC2 1614936797 OIFVLRZFKVQVML-ZDUSSCGKSA-N 351.451 0.203 0 40 FCAB O=C(O)CNC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 2199808 VNMMDAOWLSBOGA-UHFFFAOYSA-N 359.382 0.697 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 5466245 XPKDRGMHVRPZBE-CYBMUJFWSA-N 361.423 0.575 0 40 FCAB C[C@@]1(NS(=O)(=O)c2ccc3c(c2)OCCCO3)CCS(=O)(=O)C1 7304321 BVPHJMABARBVKN-CQSZACIVSA-N 361.441 0.703 0 40 FCAB CCCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 10250629 CZZHLMQCCNHMBF-UHFFFAOYSA-N 356.448 0.921 0 40 FCAB CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1cnc(C)cn1 12186176 SAURLFQWBNMMAW-CYBMUJFWSA-N 353.386 0.736 0 40 FCAB O=C(COc1ccc(F)cc1F)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12930135 STEXEMFNSAQBJM-CYBMUJFWSA-N 374.409 0.675 0 40 FCAB COc1ccccc1C(=O)NCC(=O)OCC(=O)NC(=O)c1cccn1C 20896291 MFXXRBPQQQBQEK-UHFFFAOYSA-N 373.365 0.263 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)NCCc2ccc3c(c2)OCO3)n(C)c1 27135875 NQQCGVGORWRNNO-UHFFFAOYSA-N 365.411 0.634 0 40 FCAB CC(=O)c1ccc(S(=O)(=O)N2CCN([C@H]3CCOC3=O)CC2)cc1 36389567 MUXSPLSFJJLNSJ-HNNXBMFYSA-N 352.412 0.511 0 40 FCAB COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)CC2 44441018 ITXLVBSRDXKMLH-UHFFFAOYSA-N 359.382 0.516 0 40 FCAB CCOC(=O)C1CCN(S(=O)(=O)NCc2cccnc2N(C)C)CC1 48252523 GJMRFZPGCGZRCN-UHFFFAOYSA-N 370.475 0.757 0 40 FCAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)c1 49083158 IOLWWGDVIJGJMS-LBPRGKRZSA-N 358.398 0.838 0 40 FCAB COC(=O)c1sccc1NC(=O)C[C@H](CN1CCN(C)CC1)C(=O)O 61721237 OXXPLDWCPVAEHT-LLVKDONJSA-N 369.443 0.812 0 40 FCAB CNC(=O)Cc1csc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)n1 524734903 UPHQKQBGERGANZ-ZDUSSCGKSA-N 371.426 0.841 0 40 FCAB CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCC(O)(COC)CC2)c1 575019669 QHQJVAYJUZULLS-UHFFFAOYSA-N 370.471 0.941 0 40 FCAB Cc1c(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cnn1C 585094348 MRMSLZOKGJJRNS-CQSZACIVSA-N 356.492 0.992 0 40 FCAB C=CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1120459721 KHSUBRNXLJAZKN-UHFFFAOYSA-N 351.384 0.036 0 40 FCAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(Cc1cccnc1)CC2 1772595466 ZQBNPXDDJINDGN-GOSISDBHSA-N 373.501 0.478 0 40 FCAB C[C@H]1O[C@@H](c2cccc(F)c2)C[C@@](O)(CNC(=O)c2ncccn2)[C@@H]1O 1848354639 JHYDQEKVEZUITQ-XKLVTHTNSA-N 361.373 0.988 0 40 FCAB CN1CCN(C(=O)c2ncn3c2CC[C@H](C(=O)N2CCCCC2)C3)CC1 2055713431 OHAKQSHNWQCOQY-HNNXBMFYSA-N 359.474 0.846 0 40 FCAB O=C([C@@H]1CC2CCN1CC2)N1CCN(C(=O)[C@@H]2CC3CCN2CC3)CC1 1610888 LMFLIIISBCCELP-ROUUACIJSA-N 360.502 0.626 0 40 FCAB CCc1c(-c2ccccc2)n(CCO)c2nc3c(c(=O)n(C)c(=O)n3C)n12 2359659 FSMXXRQZCVCXNQ-UHFFFAOYSA-N 367.409 0.908 0 40 FCAB NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3428460 IXRFEKWRNHJHAU-CQSZACIVSA-N 362.411 0.552 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCO)C1 9225920 LXPFVTHOGPQPAK-CYBMUJFWSA-N 356.444 0.513 0 40 FCAB CCOC(=O)c1ccc(S(=O)(=O)NCCn2ncccc2=O)cc1 11856390 ZPNQRBLPEHCCQH-UHFFFAOYSA-N 351.384 0.399 0 40 FCAB COC(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 12326763 DRGNGVYRRKGKRP-UHFFFAOYSA-N 355.398 0.962 0 40 FCAB C[C@H]1Cc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O 17637223 OMVDCQYRILOTKX-GWCFXTLKSA-N 372.468 0.314 0 40 FCAB C[C@]1(NC(=O)CCc2nc(-c3ccncc3)no2)CCS(=O)(=O)C1 22741259 QJEFZOUTLAFJGZ-HNNXBMFYSA-N 350.400 0.758 0 40 FCAB C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)n1ccnc1 44870122 VBVJEGBZLJQXTD-YOEHRIQHSA-N 370.409 0.955 0 40 FCAB Cn1cc(C(=O)NC2CCN(C(=O)CCN3CCSC3=O)CC2)cn1 48308728 IBGPWGVNSVLRIE-UHFFFAOYSA-N 365.459 0.700 0 40 FCAB Cc1cc(C)n(-c2ccc3nnc(CCC(=O)N4CCOCC4)n3n2)n1 71279265 WOLNWLGJRBDGCO-UHFFFAOYSA-N 355.402 0.718 0 40 FCAB CN1CCN(Cc2cccnc2)[C@]2(CCN(c3ncc(F)cn3)C2)C1=O 96229612 UVKXVFPTTYTQQI-SFHVURJKSA-N 356.405 0.934 0 40 FCAB CC(C)NC(=O)N1CCc2nc(N3CCOCC3)nc(N(C)C)c2CC1 96254938 UDEXAJGTESEQID-UHFFFAOYSA-N 362.478 0.898 0 40 FCAB C/C=C/Cn1c(=O)c2c(nc3n(CC(=O)OC)c(C)c(C)n23)n(C)c1=O 96306572 LKHQXEGAJZVWNG-VOTSOKGWSA-N 359.386 0.515 0 40 FCAB COCCNC(=O)CN1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 100755755 WOHONNAXILVPSM-CZUORRHYSA-N 361.446 0.137 0 40 FCAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(CC(=O)N2CCCC2)C1 257230125 GAXYAYNNHRHLSV-ZDUSSCGKSA-N 354.476 0.690 0 40 FCAB CC(C)Oc1ccccc1CNC(=O)C(=O)NCCCN1CCOCC1 298133981 ZABOQZFXNJBOIB-UHFFFAOYSA-N 363.458 0.929 0 40 FCAB O=C(O)[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)CCO1 573592208 BMOVFAMLBLCIEW-VIFPVBQESA-N 355.290 0.901 0 40 FCAB Cc1cnc(C(=O)N2Cc3ncn(C)c3C[C@H]2CN2CCOCC2)cn1 585094603 DTLQCIKQMYYVJQ-AWEZNQCLSA-N 356.430 0.418 0 40 FCAB C[C@@H]1CCCN(Cc2cc(=O)n3[nH]c(=N)[nH]c3n2)[C@@H]1C(=O)OC(C)(C)C 598623646 ZSBYSUXQJQUICP-MFKMUULPSA-N 362.434 0.772 0 40 FCAB c1cc(N2CCCC2)nc(N2CCN(c3ccc4nncn4n3)CC2)n1 733190005 NNEFOSRJOQYJNX-UHFFFAOYSA-N 351.418 0.841 0 40 FCAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)NC5CCOCC5)C[C@H]4C3)ncnc21 1888888158 KBRGEZGZUZCJPC-CHWSQXEVSA-N 371.445 0.620 0 40 FCAB COCCn1cnc2c(N3CCN(c4ncncc4F)CC3)ncnc21 1888897401 GSUJLPNOGMIQGI-UHFFFAOYSA-N 358.381 0.728 0 40 FCAB Cc1ccsc1S(=O)(=O)N1CC2(CCN(S(C)(=O)=O)C2)C1 2055803834 YXYKLSABEPIZEX-UHFFFAOYSA-N 350.487 0.713 0 40 FCAB CC[C@H](NC(=O)Cn1cnc2c(=O)n(C)c(=O)n(C)c21)c1ccccc1 810496 IXGZBEOXOJZJEX-ZDUSSCGKSA-N 355.398 0.701 0 40 FCAB CC(=O)O[C@H]1C[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO 1075519 YHQCWFGKRPKMDG-LZWOXQAQSA-N 373.365 0.707 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3nn(C)c(C)c3Cl)[C@@H]2SC1 2758713 JPYGNUTTXKHNGF-ZANVPECISA-N 370.818 0.754 0 40 FCAB COc1ccc(N2C[C@@H](NC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1 4373601 VRVMKZFXPXFUSI-ZDUSSCGKSA-N 360.414 0.707 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 5894884 DQAXQMMAGTZHAM-OSRDXIQISA-N 364.423 0.516 0 40 FCAB CCN(C(=O)COC(=O)c1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 6611984 KUGVLNVYVHZAHX-NSHDSACASA-N 360.819 0.927 0 40 FCAB COc1ccc(Cn2c(=O)c3c(nc(NCCCO)n3C)n(C)c2=O)cc1 13757157 ZRKIQKGCDYZAME-UHFFFAOYSA-N 373.413 0.285 0 40 FCAB O=c1cc(CCn2ncc3c2CCCC3)nc(NCCN2CCOCC2)[nH]1 19291987 YIZJWNDQJBVDMF-UHFFFAOYSA-N 372.473 0.832 0 40 FCAB CCOc1ccc(N2C(=O)C[C@@H](NCCN3CCN(C)CC3)C2=O)cc1 19809400 JESIPJZCWYQJGS-QGZVFWFLSA-N 360.458 0.554 0 40 FCAB CN(C)S(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 20245148 VGOVKNHGHDSGNP-CQSZACIVSA-N 359.423 0.734 0 40 FCAB Cn1c(=O)c2c(S[C@H]3CCOC3=O)nc(C(C)(C)C)nc2n(C)c1=O 28690618 MVGIJYUYXKDLFS-QMMMGPOBSA-N 364.427 0.732 0 40 FCAB O=C(NCCN1CCN(c2ccccc2)CC1)[C@H]1CC(=O)N(C2CC2)C1 32827671 LGRCOBVPQFGECF-INIZCTEOSA-N 356.470 0.936 0 40 FCAB O=C1N=C(O)[C@]2(C(=O)N1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]1CCCN12 35189509 AJZAUELQWCPFGC-WOPDTQHZSA-N 368.349 0.215 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2csc(-c3cnccn3)n2)CC1 44124206 LHKNDCRMPGTFSX-UHFFFAOYSA-N 353.429 0.318 0 40 FCAB Cc1c(CCNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)cnn1C 96000300 XFDKBXVJJWJELF-UHFFFAOYSA-N 362.455 0.715 0 40 FCAB CS(=O)(=O)N1C[C@@H]2CN(c3ncc(F)cn3)CCC[C@]2(C(=O)O)C1 96185201 WOEIEEKSJBFYPU-HZMBPMFUSA-N 358.395 0.178 0 40 FCAB CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](/C=C\[N+](=O)[O-])OC(C)=O 104062342 ULOLEEKLIUKACL-KCPLHHHMSA-N 361.303 0.135 0 40 FCAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2ncc(CNC(C)=O)[nH]2)C1 257241495 HYFZHSCEZJUPRR-ZDUSSCGKSA-N 359.452 0.006 0 40 FCAB O=S(=O)(N1CCOCC1)N1CCC(c2ccnc3ccnn23)CC1 257268054 MKAFHOUQZQHQCT-UHFFFAOYSA-N 351.432 0.486 0 40 FCAB Cn1c(=O)c2ccc([C@@H]3CN(C(=O)C4CCCC4)CCO3)nc2n(C)c1=O 257320001 VUYDMHZVYCDMCV-HNNXBMFYSA-N 372.425 0.722 0 40 FCAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3ocnc3C)[C@H]2O)CC1 257339502 ZBZVRDDYVJUYJE-RBSFLKMASA-N 350.419 0.159 0 40 FCAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@@H]21)c1ccnnc1 575405301 RGXXMOAQVZRROV-DJIMGWMZSA-N 368.393 0.699 0 40 FCAB Cc1ccc(Cl)cc1S(=O)(=O)N(CCN)[C@H]1CCS(=O)(=O)C1 575426160 NQTGLCZZSRJGSZ-LBPRGKRZSA-N 366.892 0.785 0 40 FCAB COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(C(=O)c1cnccn1)CC2 585096874 BUAAUPYWYSKBSN-LBPRGKRZSA-N 358.402 0.195 0 40 FCAB COCCC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 585283840 PDYWKLROYYLLEM-KRWDZBQOSA-N 354.378 0.714 0 40 FCAB Cc1c([C@H]2[C@H](C(=O)N3CCCNC(=O)[C@H]3C)CC(=O)N2C2CC2)cnn1C 622852169 WYTVGSXWYBAQEE-SUYBPPKGSA-N 373.457 0.518 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OC)cc2C)C1 643695422 ODTKVQLJXWWVBT-INIZCTEOSA-N 356.444 0.655 0 40 FCAB Cn1cccc(C(=O)NCC2(N3CCOCC3)CCSCC2)c1=O 1888834222 DJUWSTBHQOGPDJ-UHFFFAOYSA-N 351.472 0.713 0 40 FCAB CC(C)N1C[C@@]2(COCC1=O)CN(C(=O)CCc1ccncc1)CCO2 2037985384 ICCUMNQKIDTEJK-LJQANCHMSA-N 361.442 0.879 0 40 FCAB COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)COC)CC1 2055738919 AATUDJGHPMBFTR-UHFFFAOYSA-N 356.448 0.325 0 40 FCAB N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccc(-n4ccnc4)cc3)CO[C@H]12 3841439 AXKIWHJVPKRPFE-BYNSBNAKSA-N 355.358 0.317 0 40 FCAB biogenic,in-vitro COc1cccc(Cn2c(NC[C@H](C)O)nc3c2c(=O)n(C)c(=O)n3C)c1 4728594 DGKHBCZFSOUDSM-NSHDSACASA-N 373.413 0.283 0 40 FCAB O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)NC1CC1 5689101 UTINVEIYRRSIOD-UHFFFAOYSA-N 357.457 0.473 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)N[C@H](C(=O)O)c1ccc(O)cc1 6756442 OSKFBVUBQFSGAV-HNNXBMFYSA-N 354.322 0.439 0 40 FCAB Cc1ccc(OCC(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 6886356 OCXBXTYYXXNOCX-CYBMUJFWSA-N 355.412 0.529 0 40 FCAB CNCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2nccs2)nn1 8297739 PMABBHYSNGORCC-BNOWGMLFSA-N 361.475 0.803 0 40 FCAB biogenic,in-vitro Cc1cccc(OCCNC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 8332619 MZLVFPIRSBOBKP-UHFFFAOYSA-N 361.398 0.937 0 40 FCAB CN(CC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 8883453 CPLKBUBUXMRJLQ-ZDUSSCGKSA-N 354.428 0.905 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H](C(=O)O)c1ccccc1 9319665 MIELMRRMRQVLQY-HNNXBMFYSA-N 353.334 0.632 0 40 FCAB biogenic O=C(O[C@H]1CCOC1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 9497736 UIMDYPFZLMVLAH-ZDUSSCGKSA-N 373.358 0.319 0 40 FCAB Cc1csc(=O)n1CCC(=O)OCC(=O)NC(=O)NC1CCCC1 14129271 RTVRMIDKTXMXBT-UHFFFAOYSA-N 355.416 0.920 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 14136780 BVXWOSBREAYXSU-UHFFFAOYSA-N 357.432 0.551 0 40 FCAB COCC(=O)N1CC[C@@H](c2ccnc3c(CN4CCOCC4)c(C)nn23)C1 19707742 LFLVDKWFLAIIBD-OAHLLOKOSA-N 373.457 0.832 0 40 FCAB COCCNc1nc(Cn2nc(OC)c3ccccc3c2=O)cc(=O)[nH]1 19717473 RQUMOHQVHFVXRD-UHFFFAOYSA-N 357.370 0.595 0 40 FCAB Cn1ncc2c(N3CCN(C(=O)CN4CCSC4=O)CC3)ncnc21 23462830 PJXXUZHKVAGFCQ-UHFFFAOYSA-N 361.431 0.181 0 40 FCAB C[C@H]1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C[C@@H](C)O1 28218584 LZUMWVMODVMYPT-OKILXGFUSA-N 364.450 0.158 0 40 FCAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccn1 32070991 DWXKXJBRMIGULH-MRXNPFEDSA-N 366.421 0.976 0 40 FCAB CCCS(=O)(=O)N1CCC(NC(=O)CNC(=O)c2cccs2)CC1 32925062 ATRUPEHVOFEWDH-UHFFFAOYSA-N 373.500 0.798 0 40 FCAB CN(C)C(=O)c1ccc(Cl)cc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1 40135360 RMVVGMBORMSDFN-LLVKDONJSA-N 373.862 0.757 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)NCCc2cccc(F)c2)CC1 54421012 WDLWSKWGICOENA-UHFFFAOYSA-N 359.423 0.977 0 40 FCAB Cc1nnnn1-c1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 71289150 DKMSMSZQYUECQK-UHFFFAOYSA-N 372.410 0.548 0 40 FCAB C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(S(N)(=O)=O)CC1 95445061 OXJDPXLOTFOSOL-NSHDSACASA-N 357.501 0.774 0 40 FCAB Cc1cncc(C(=O)N2CC[C@@]3(C[C@H](NS(C)(=O)=O)CCO3)C2)c1 96107901 SWUMTHXKHWSVIU-GDBMZVCRSA-N 353.444 0.703 0 40 FCAB CN1CC[C@@H](COCc2cccnc2)CC12CN(S(=O)(=O)N(C)C)C2 247922709 CUGWDJFJBOZLGL-OAHLLOKOSA-N 368.503 0.801 0 40 FCAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)COc1cccnc1 257250669 JNMJZAVYZYVIJZ-GOSISDBHSA-N 357.414 0.740 0 40 FCAB CO[C@@H]1CC[C@@H](N(C)C(=O)COc2ccc(S(N)(=O)=O)cc2C)[C@H]1O 257295459 QYJUIYFUMBSIPR-XNRPHZJLSA-N 372.443 0.018 0 40 FCAB CNC(=O)c1cc(C[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc(C)n1 257344868 ZYZMJAFOEIMSFM-LBPRGKRZSA-N 355.464 0.206 0 40 FCAB O=C(c1ccco1)N1CC[C@@]2(C1)Cn1c(nn(CC3CC3)c(=O)c1=O)CO2 306143193 XVNXVGPGSGHQKR-GOSISDBHSA-N 372.381 0.223 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CC[C@H](NC(C)=O)C2)cc1C(=O)O 392268348 ZFJLXDCCYQASFM-NSHDSACASA-N 356.400 0.683 0 40 FCAB CNS(=O)(=O)NC1CCN(Cc2ccc(-n3cncn3)cc2)CC1 576382131 VDERZUIITVXQAR-UHFFFAOYSA-N 350.448 0.286 0 40 FCAB CN1C(=O)CN(CC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)C1=O 623645267 VRMSEPBVHPJJJU-UHFFFAOYSA-N 373.413 0.608 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCC[C@](O)(CC(=O)NC)C2)cc1 643695292 KWNNGDFITZQMKH-INIZCTEOSA-N 356.444 0.737 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1cccc(COC)c1 643705136 JZTHTTOCURXXOB-INIZCTEOSA-N 356.444 0.749 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)CCO1 649421307 COOMRXFBZQGVFT-CYBMUJFWSA-N 362.373 0.972 0 40 FCAB Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](C(=O)O)C(C)(C)C)CC2)no1 663112747 PSIWQKAICDFSQV-AWEZNQCLSA-N 366.418 0.813 0 40 FCAB CN(C)C(=O)[C@H]1CC(=O)N(C2CN(c3ccc(C(F)(F)F)nn3)C2)C1 685940638 FASLTKNUGRTLLH-VIFPVBQESA-N 357.336 0.621 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(Cl)cn3)C2)CC1 1848770062 TXQWODOBFUIVCG-UHFFFAOYSA-N 360.867 0.667 0 40 FCAB COc1ccc(OC)c([C@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)c1 13131930 SLWSUQIQEOOUHR-INIZCTEOSA-N 373.413 0.865 0 40 FCAB O=C(CNC(=O)C(=O)NC1CCCC1)Nc1ccc(N2CCCC2=O)cc1 13988160 URKVMBDFGHJOPJ-UHFFFAOYSA-N 372.425 0.927 0 40 FCAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1=O 14164219 FSTFPYYFRPNGCB-KRWDZBQOSA-N 374.353 0.784 0 40 FCAB COC(=O)CCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 16011127 DCJDTRPMMSJXGJ-UHFFFAOYSA-N 370.427 0.391 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16022308 UNCYZNYUKMRATD-NGBGRFTOSA-N 363.801 0.727 0 40 FCAB CC1(C)C(=O)NC(=S)N2C(=O)C[C@@H](C(=O)Nc3ccc(F)c(F)c3)N21 20634715 ISFZSURMSOXOJZ-JTQLQIEISA-N 368.365 0.915 0 40 FCAB C[C@@]1(c2ccco2)NC(=O)N(NC(=O)CCNC(=O)c2ccccc2)C1=O 21552747 FIAKQUFJDYXJCI-SFHVURJKSA-N 370.365 0.898 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(O)c3[nH]cnc3n2)cc1 28249566 QJZGQVGWTWKOAQ-UHFFFAOYSA-N 362.371 0.495 0 40 FCAB CN(CC(=O)Nc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 40071121 FOQUPDPQJVWKNF-AWEZNQCLSA-N 352.460 0.739 0 40 FCAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 49548163 KQXLTYNLYXUXPT-UHFFFAOYSA-N 370.413 0.482 0 40 FCAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCCCOCCO)C1 96003223 COEMIQMFIZKHAC-INIZCTEOSA-N 363.414 0.700 0 40 FCAB CC(C)NC(=O)N1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1 96063532 QCDKPRFWHGAIKD-PBHICJAKSA-N 350.419 0.611 0 40 FCAB COCCN1C[C@@H](C(=O)O)CN2CCN(Cc3nccs3)C[C@H]2C1 107200981 SWEZBDRSURKTGQ-KGLIPLIRSA-N 354.476 0.292 0 40 FCAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCC[C@@H](Oc2cnccn2)C1 225475358 GEELASGQHKWMFI-GOEBONIOSA-N 374.441 0.874 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(Cn3cccn3)c2)CCN1C 257295800 QZXVPONCIQUPII-MRXNPFEDSA-N 371.441 0.442 0 40 FCAB COC(=O)[C@H]1CN(C(=O)C2(N)CCCC2)CCN(C2CCOCC2)C1 257335119 YISSFPDWPYEQKD-CQSZACIVSA-N 353.463 0.370 0 40 FCAB O=C(c1cnccn1)N1C[C@H]2CN(Cc3ccccc3)S(=O)(=O)[C@H]2C1 306123508 APAMKKZQWKEJFB-HOCLYGCPSA-N 358.423 0.763 0 40 FCAB COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)c2cccc(F)c2)[C@H]1O 514289189 ZIJVHVHWJUJBGS-LTIDMASMSA-N 352.406 0.795 0 40 FCAB biogenic,in-vitro O=C(NCC[C@@]1(O)CCCOC1)c1ccc(C(=O)N2CCOCC2)cc1 628009618 UZBFOHHPPQTDJN-IBGZPJMESA-N 362.426 0.820 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@@H]2C1 1565556069 WBDFWPGWLJATAF-ZIAGYGMSSA-N 364.471 0.610 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 1634534821 NZHJWACNQKQPBY-QGZVFWFLSA-N 358.354 0.331 0 40 FCAB COC(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O 4025190 AKIVAEMHBBAVNN-OIPACUDHSA-N 364.350 0.801 0 40 FCAB CC[C@@H](C)[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)OC 7398792 DARKTBPLNRYMML-QMTHXVAHSA-N 368.411 0.535 0 40 FCAB Cc1csc(=O)n1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 12732401 VLAZSGIOSNICLR-UHFFFAOYSA-N 373.442 0.244 0 40 FCAB COc1ccc(NC(=O)[C@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 36358438 AUJDIGDCSHZZRX-CMPLNLGQSA-N 355.416 0.509 0 40 FCAB CN1CCN(CC(=O)N2C(=O)[C@H]3CCCCN3C(=O)c3ccccc32)CC1 40386401 JBXAHYCYYBXDET-QGZVFWFLSA-N 370.453 0.802 0 40 FCAB CCS(=O)(=O)N1CCC(NC(=O)[C@H](C)OC[C@@H]2CCCCO2)CC1 66311470 NLPDTHWSSZAUJV-ZFWWWQNUSA-N 362.492 0.891 0 40 FCAB CCN1C(=O)[C@H]2[C@H](c3ccc(O)c(OC)c3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 95252476 OAKOMGPFBPBMBT-KHSSZTOVSA-N 362.382 0.598 0 40 FCAB COc1cc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)ccc1OCC(N)=O 101714615 IIGSVJJAHHNAHX-SNVBAGLBSA-N 360.366 0.752 0 40 FCAB O=C(O)[C@@H](CO)N(C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 217371166 GOGSKUCEMQWSPO-VXGBXAGGSA-N 361.803 0.415 0 40 FCAB Cc1ccc2nc(C(=O)N3CC[C@@](O)(CN4CCN(C)CC4)C3)cn2c1 257290976 QFBNELYUNXDPFG-LJQANCHMSA-N 357.458 0.467 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@H]3C2)n1 585109293 HHKPRIIBOJLUGU-KFWWJZLASA-N 361.446 0.695 0 40 FCAB CN1CC[C@@H](C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)S1(=O)=O 649244311 ZJYQTWGFROLQSL-LBPRGKRZSA-N 360.819 0.787 0 40 FCAB O=C(N1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1)C1(F)CCC1 1565549366 VTGIEYJOGBUFOK-YOEHRIQHSA-N 365.405 0.912 0 40 FCAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1=O 1565549538 ZEYUDCXMEJMZAP-KDOFPFPSSA-N 355.398 0.282 0 40 FCAB C[C@@H]1CN(c2ccccc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1 4249191 KRSRDTMBYSKBOK-LLVKDONJSA-N 368.397 0.170 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 4721369 VUCZOYQGXHSYNB-UHFFFAOYSA-N 358.379 0.683 0 40 FCAB CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)C1=O 6542182 FHNDWKIJNSIBFB-UHFFFAOYSA-N 363.326 0.227 0 40 FCAB C[C@@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(N)=O 7158116 IHVNAQKLCOIGAM-GFCCVEGCSA-N 370.427 0.057 0 40 FCAB Nc1c(C(=O)CSc2nnc3ccccn23)c(=O)[nH]c(=O)n1C1CC1 8344974 YCKMSZSEYUQPGY-UHFFFAOYSA-N 358.383 0.471 0 40 FCAB COCCNC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 8771499 OJFHLFLBSAUYOJ-UHFFFAOYSA-N 374.393 0.539 0 40 FCAB O=C(Cn1ncc2cccn2c1=O)Nc1ccccc1N1CCOCC1 12117321 IYJLEXOMZQBPOD-UHFFFAOYSA-N 353.382 0.971 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NC2CC2)cc1 12897452 QLEGRZQRYUOAJV-UHFFFAOYSA-N 353.444 0.726 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CCOC)C[C@H]1c1ccnc(N2CCCC2)n1 19591933 XDRFDEQGQWTJPC-ZIAGYGMSSA-N 361.446 0.401 0 40 FCAB CCN(c1cc(OC)c(OC)cc1C(=O)NCCCO)S(C)(=O)=O 22251775 RJDPUWYWTPNQHN-UHFFFAOYSA-N 360.432 0.602 0 40 FCAB Cc1nc(COc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)no1 31611922 DOXUDFBGCCXSLX-GFCCVEGCSA-N 351.384 0.874 0 40 FCAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N(C)CC(=O)NC(C)C 40120122 MBDVEZSVQHNIFF-OAHLLOKOSA-N 362.409 0.887 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 41165921 FPGGVMIWYYXHTO-AWEZNQCLSA-N 368.455 0.788 0 40 FCAB CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 58003839 JUZUZTCURLMMKG-UHFFFAOYSA-N 374.484 0.722 0 40 FCAB Cc1nc(S(=O)(=O)NCC(=O)NCc2ccc3c(c2)OCO3)cn1C 58167724 LMPSGKFSHUFQQB-UHFFFAOYSA-N 366.399 0.052 0 40 FCAB COc1ccc(CCNC(C)=O)cc1S(=O)(=O)NC[C@H]1CCCO1 95454111 MQDVDNMTNVECTF-CQSZACIVSA-N 356.444 0.831 0 40 FCAB O=C1CO[C@]2(COCCN(S(=O)(=O)C3CC3)C2)CN1c1ccoc1 96051417 DPIDLTWAKFUSEI-HNNXBMFYSA-N 356.400 0.206 0 40 FCAB COCC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ccccn3)C[C@@H]2C1 96251266 JMQBNPYDPMFFEI-KXBFYZLASA-N 360.458 0.861 0 40 FCAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N1CCN(c2ccccn2)CC1 101508496 AAOIPCQSGNMWFN-UHFFFAOYSA-N 367.413 0.402 0 40 FCAB Cc1c(Br)cccc1S(=O)(=O)N1CCOC[C@@H]1C(N)=O 271843387 BTPPZFKVLVZZBF-SNVBAGLBSA-N 363.233 0.632 0 40 FCAB O=C(C1CCOCC1)N1CCC[C@@H](CS(=O)(=O)N2CCOCC2)C1 521396703 SHOOBXWRGDGANQ-CQSZACIVSA-N 360.476 0.314 0 40 FCAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCc1ccc(C(N)=O)o1)CC2 547859189 QKSHAMCLJKYVRZ-KBPBESRZSA-N 351.403 0.840 0 40 FCAB O=C(NCCc1cccs1)C1CN(c2cc(-n3cncn3)ncn2)C1 575608093 DLFOZWQUCVXQEA-UHFFFAOYSA-N 355.427 0.914 0 40 FCAB Cc1c(C)[n+](C)c([C@H](CC(=O)O)c2ccc3c(c2)n(C)c(=O)n3C)n1O 604419449 SNEKGQTZQCQMMF-CYBMUJFWSA-O 359.406 0.964 0 40 FCAB COc1ccc(NC(=O)N2CCN(C(=O)C3CC3)CC2)cc1-n1cnnn1 608326978 ULQCQMUYTGHQSJ-UHFFFAOYSA-N 371.401 0.757 0 40 FCAB Cc1nnc2n1C[C@@H](C(=O)N1CCc3c(nc(C(C)C)n3C)C1)N(C)C2 644349379 UVEIZFPJXVIWEL-HNNXBMFYSA-N 357.462 0.842 0 40 FCAB Cn1c(O)nc(N2C[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@@H]3C2)cc1=O 1888853928 ARCPEYOZZQJIFD-RYUDHWBXSA-N 371.397 0.560 0 40 FCAB CCN1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(OC)cc2)CC1 16681498 ONFGPFSBXRTARF-UHFFFAOYSA-N 369.487 0.870 0 40 FCAB NC(=O)NC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 17073148 DVGHNGLKXOBWHA-KDXUFGMBSA-N 353.356 0.373 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 22276294 WWBVYFXKTONDGO-OAHLLOKOSA-N 366.439 0.618 0 40 FCAB CC(C)CN1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 40049522 CBDMOOUVOJMSDP-UHFFFAOYSA-N 359.430 0.046 0 40 FCAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 48251825 RLELWZBGARCIKR-GXTWGEPZSA-N 354.428 0.947 0 40 FCAB CC(=O)c1ccc(N2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)c(F)c1 57386184 PBXYHNINWPELNH-UHFFFAOYSA-N 374.416 0.748 0 40 FCAB COCCn1c(=O)c2sccc2n(CC(=O)NC[C@@H]2CCCO2)c1=O 57485920 MAWXKSWVHXPDHO-NSHDSACASA-N 367.427 0.166 0 40 FCAB Cc1c([C@H]2C[C@H](C(=O)NC3CCCCC3)N(C)S(=O)(=O)N2)cnn1C 72335087 JNUMJODABUDJHY-HUUCEWRRSA-N 369.491 0.757 0 40 FCAB Cn1cc(C(=O)N2CCCC[C@H]2c2cc(C(=O)N3CCOCC3)[nH]n2)cn1 72380575 MPRZLEXFNGXUJB-INIZCTEOSA-N 372.429 0.983 0 40 FCAB NC(=O)CSc1nnc2n(Cc3ccccc3)c3ncnc(N)c3n12 85397319 HXHXTPOVECRHMN-UHFFFAOYSA-N 354.399 0.682 0 40 FCAB Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 87007937 DTAYCJRXEHWUMF-INIZCTEOSA-N 356.426 0.755 0 40 FCAB CCS(=O)(=O)CCN(C)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 89272340 MANSZYARHQZMDZ-UHFFFAOYSA-N 359.448 0.134 0 40 FCAB Cn1cnc(C(=O)N2CCC[C@]3(COCCN(Cc4c[nH]nn4)C3)C2)c1 96076448 XUGXWKVIJBXRAT-QGZVFWFLSA-N 359.434 0.293 0 40 FCAB CC(=O)NCC(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239034 XTPLNJGRNUKNKS-GOSISDBHSA-N 359.382 0.507 0 40 FCAB COc1c([N+](=O)[O-])cc([N+](=O)[O-])c2c1CCN2C(=O)CC[C@H](N)C(=O)O 204910297 SYNWQVVPBORTQE-QMMMGPOBSA-N 368.302 0.593 0 40 FCAB COc1cccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)c1 245266638 KKDNZDNZSHFBCX-UHDSXZAQSA-N 367.398 0.816 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn2C1 247498700 DUXYUDZIUMFVCB-ZDUSSCGKSA-N 368.484 0.695 0 40 FCAB COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)Cn3ccnc3)C2)cc1 257255412 KHIZHCGTXUWFNQ-LJQANCHMSA-N 358.442 0.987 0 40 FCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](CNC(=O)N2CCCC2)C1 306125364 CNNQRMHQPVBTFG-HNNXBMFYSA-N 369.491 0.480 0 40 FCAB CCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cscn1 306138170 RROAOCMCIWFYEI-LLVKDONJSA-N 359.473 0.704 0 40 FCAB C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1C(=O)C1CC(O)C1 585098632 VURKBDHYRDZANZ-IYXRBSQSSA-N 357.414 0.796 0 40 FCAB Cn1cc(O[C@@H]2CN(C(=O)c3cc4nccnc4cc3F)C[C@H]2O)cn1 628262620 RHWPFVBOAYGYBW-HZPDHXFCSA-N 357.345 0.767 0 40 FCAB O=C(O)[C@H](CNC(=O)[C@@H]1COCCO1)Oc1ccc(Br)cc1 649255188 NJBITGGRESUKQF-RYUDHWBXSA-N 374.187 0.813 0 40 FCAB O=C(NCc1ccc(F)cc1)C(=O)NCC1(OCCO)CCSCC1 828765419 NVQBKAOKZYSBMB-UHFFFAOYSA-N 370.446 0.833 0 40 FCAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)c1ccc(O)nn1)CC2 1146984415 NIICHXFLFCTCFG-ZDUSSCGKSA-N 362.430 0.919 0 40 FCAB Cn1cccc(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)c1=O 1565551257 BVPWXVMRDKDYMZ-UHFFFAOYSA-N 369.425 0.253 0 40 FCAB COC1(CC(=O)N2Cc3nnn(C)c3[C@@H](COCCN(C)C)C2)CCC1 1565551351 PEHTYNYPCOJTQJ-CQSZACIVSA-N 365.478 0.778 0 40 FCAB O=C([C@@H]1CN(c2nccn3nc(C4CC4)cc23)CCO1)N1CCOCC1 1889138854 HQSJEOMZDNZPCL-INIZCTEOSA-N 357.414 0.671 0 40 FCAB NC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 2664800 FTJWXCRZBHIEPL-UHFFFAOYSA-N 352.350 0.677 0 40 FCAB N=C1Cc2ncnn2C(N2N=C(c3ccco3)C[C@@]2(O)C(F)(F)F)=NN1 4942628 JZZNPBBMAKEWGI-GFCCVEGCSA-N 368.279 0.474 0 40 FCAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc12 5442713 UPTJJAZIWBTUSW-LLVKDONJSA-N 351.380 0.784 0 40 FCAB biogenic CNC(=O)N(C)CP(=O)(CN(C)C(=O)NC)CN(C)C(=O)NC 5648988 YHOSSGLQFJQZPH-UHFFFAOYSA-N 350.360 0.036 0 40 FCAB Cc1cc(C)cc(OCC(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 6027365 QNNCQHLZTVUBNU-CQSZACIVSA-N 369.439 0.871 0 40 FCAB CCNC(=O)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 7645289 RBAFORTZOLVYOA-JTQLQIEISA-N 361.851 0.649 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@H](C(F)(F)F)C1)c(=O)n2C 9931298 TXHHUVYERGFANW-VIFPVBQESA-N 373.335 0.235 0 40 FCAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc3nncn3n2)CC1 13847659 ZYBAUIVLWKTDQY-UHFFFAOYSA-N 362.390 0.774 0 40 FCAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCCC2)cc1C 14246993 PCSBMLDZBHTNSN-UHFFFAOYSA-N 353.444 0.320 0 40 FCAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 27604563 WATXNUCKNJZLHA-OAHLLOKOSA-N 359.469 0.852 0 40 FCAB Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(C)CC2)cc1 35311173 USDWKBCRHGBPFZ-UHFFFAOYSA-N 350.448 0.160 0 40 FCAB C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CCO1 48290114 IRAWZGPXSWFHRR-PXAZEXFGSA-N 357.410 0.709 0 40 FCAB O=C(CCCn1nnc2ccccc2c1=O)NCc1nnc2ccccn12 72404352 BEHIMRNLRBRYIW-UHFFFAOYSA-N 363.381 0.931 0 40 FCAB O=C(Cn1ccc2c(cnc3ccnn32)c1=O)NCCc1nccs1 79501516 OTFMAIAWGFDVNQ-UHFFFAOYSA-N 354.395 0.860 0 40 FCAB COc1cc2nc(N3CC[C@]4(CC(=O)NC4=O)C3)nc(N)c2cc1OC 82108271 LFVLETZFEROAHZ-KRWDZBQOSA-N 357.370 0.472 0 40 FCAB COCCS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H](CO)SC)cc1 84139685 FCMHGIRPUBIBHF-RISCZKNCSA-N 361.485 0.949 0 40 FCAB O=C(NCc1cc(=O)n2c(n1)CN(c1ncc(F)cn1)CCC2)C1CC1 96068132 LDXDKFNGEIJRDK-UHFFFAOYSA-N 358.377 0.609 0 40 FCAB CS(=O)(=O)N1CCc2sc(C(=O)NCCN3CCOCC3)cc21 96087953 AYVGOSTWYHOHQR-UHFFFAOYSA-N 359.473 0.132 0 40 FCAB COCCN1C(=O)C[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc(F)cc(F)c1 96245834 NKBPDPCYIFIJFR-UONOGXRCSA-N 360.382 0.975 0 40 FCAB CCCn1c(=O)[nH]c2cc(S(=O)(=O)NC(=O)c3cocn3)ccc21 105753902 HRUZZZFAVHLJBC-UHFFFAOYSA-N 350.356 0.846 0 40 FCAB COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc3c1OCCO3)C2 247834761 ITTCXLNGRPULIN-LBPRGKRZSA-N 367.423 0.734 0 40 FCAB CCn1ncc(S(=O)(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)c1C 257230775 GDWVXUZAHRRFJZ-KBPBESRZSA-N 353.448 0.795 0 40 FCAB COc1ccc(-c2n[nH]cc2CN2CCN(C(C)=O)[C@@H](C(N)=O)C2)cc1 257339995 ZEBREQQDENEJPN-MRXNPFEDSA-N 357.414 0.603 0 40 FCAB O=C(c1c[nH]nc1[C@H]1CCOC1)N1CCC[C@H](N2CCCS2(=O)=O)C1 333243410 BUQLNKGBCITWGD-STQMWFEESA-N 368.459 0.554 0 40 FCAB O=c1ccc(-n2cncn2)nn1CC1CCN(CC2CCOCC2)CC1 585500603 LAVLOYQUSKCNNN-UHFFFAOYSA-N 358.446 0.963 0 40 FCAB O=C1CN(C(=O)CCCC(=O)N2CCO[C@@H](c3ccccc3)C2)CCN1 604418488 AEGPYXUKFUWORN-MRXNPFEDSA-N 359.426 0.715 0 40 FCAB Cc1[nH]c2ccccc2c1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 643432821 BOKKQCGCQZPHEZ-AWEZNQCLSA-N 350.396 0.729 0 40 FCAB COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cccn3)[C@H]2O)cc1 952844619 CCEYELZFSJYGEE-DGXTUMSLSA-N 360.370 0.739 0 40 FCAB biogenic,in-vitro CN(C)CCN1CCO[C@@H]2CCN(C(=O)CCc3cncnc3)CC[C@H]21 1565546607 AVPUSONDIHUHPA-QZTJIDSGSA-N 361.490 0.663 0 40 FCAB CCc1cnc(OC2CCN(C(=O)Cn3cnc(C)cc3=O)CC2)nc1 1776008747 OSAALQYWVCJGFQ-UHFFFAOYSA-N 357.414 0.974 0 40 FCAB Cn1ccc(CN2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)cc1=O 2086928078 CMOFWNAMAKHVMQ-AWEZNQCLSA-N 355.385 0.844 0 40 FCAB Cc1cccc(OC[C@H](O)Cn2c(N(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 4317879 MOVQMAFPDMOZPM-GFCCVEGCSA-N 373.413 0.238 0 40 FCAB COc1ccc(-c2noc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1 7137773 AVVQBXOICARNKN-UHFFFAOYSA-N 368.353 0.541 0 40 FCAB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H](SCCO)C2=O)c1 8560113 FBEHAAAOKGPPTR-LBPRGKRZSA-N 367.379 0.617 0 40 FCAB NC(=O)CCS(=O)(=O)CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 8708749 KKMVIBUDEKXZKX-CQSZACIVSA-N 368.455 0.885 0 40 FCAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCCC1 11906078 SAXCXZDIWHIDCI-UHFFFAOYSA-N 374.440 0.546 0 40 FCAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCCCO)c3=O)cc1 12234038 DJRAVLDXDHVPDY-UHFFFAOYSA-N 359.386 0.301 0 40 FCAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(CC(N)=O)cs1 14137327 HAWOECGGIIJCFZ-UHFFFAOYSA-N 359.415 0.797 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 14208810 AVFIJGXSWDOREP-ZDUSSCGKSA-N 357.432 0.551 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)c2ccc3c(c2)CCCC3)c(=O)n(C)c1=O 17669143 OGPOIVDHZHBDEZ-UHFFFAOYSA-N 371.393 0.585 0 40 FCAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCC(=O)N1CCOCC1 19577622 MWNVERDQMCETGY-UHFFFAOYSA-N 366.390 0.422 0 40 FCAB COc1cccc(C[C@@H](C(=O)N(C)CC(=O)NC(C)C)n2nnnc2C)c1 40120116 IONWJLNITJVCOB-INIZCTEOSA-N 374.445 0.757 0 40 FCAB CCOC(=O)CCC(=O)N1CCC(C(=O)NCc2nc(C)no2)CC1 70655653 SSMVWYKWIBWMSD-UHFFFAOYSA-N 352.391 0.576 0 40 FCAB Cc1c(S(=O)(=O)NCCC(=O)N2CCOCC2)cnn1C(F)F 72390295 SCEZWHZEAXGOTE-UHFFFAOYSA-N 352.363 0.114 0 40 FCAB CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1(C)C 95986825 WHIFJJXPIAXTAG-JIMOISOXSA-N 362.473 0.672 0 40 FCAB O=C(c1cccnc1)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 96159156 LLGHIEVGZOTGCZ-UHFFFAOYSA-N 353.382 0.910 0 40 FCAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@@H](Oc2cccnn2)C1 225417560 XPMMLQXKQIBXOL-UKRRQHHQSA-N 360.414 0.484 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](Oc3cnccn3)C2)CC1 225471125 YGPRJQMKLPYHQS-AWEZNQCLSA-N 368.459 0.518 0 40 FCAB Cn1nc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)ccc1=O 225727701 ICZBKKOLUOEXNR-UHFFFAOYSA-N 368.319 0.552 0 40 FCAB COCC(=O)N1CC2(CCN(C3CCN(C)CC3)CC2)C[C@]1(C)CO 257227909 FRNMZOQBORRCLP-GOSISDBHSA-N 353.507 0.793 0 40 FCAB Cc1nonc1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(=O)n(C)c2)C1 257250830 JOECLXBTXYMNJA-GOSISDBHSA-N 373.413 0.635 0 40 FCAB O=C(C1CC1)N1CC[C@]2(Cc3nn(Cc4ccccc4)c(=O)c(=O)n3C2)C1 306128950 HPALOBSZMVNIOR-FQEVSTJZSA-N 366.421 0.638 0 40 FCAB COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(Cc1cc(C)nn1C)CC2 306139081 SOYOTYSNBOJUMN-AWEZNQCLSA-N 360.462 0.807 0 40 FCAB Cc1nc(C)c(CCC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c(O)n1 330411467 LJZPMPNXNJMCAG-JSGCOSHPSA-N 370.475 0.566 0 40 FCAB CN(C)C(=O)N1CCC(CNC(=O)C(=O)NCCc2ccccc2)CC1 390831972 WJKWAMWGBWEVAO-UHFFFAOYSA-N 360.458 0.855 0 40 FCAB NC(=O)CN1CCN(Cc2ncc(Cl)cc2Br)CC1=O 529600694 PTCVFWQVEHSGLQ-UHFFFAOYSA-N 361.627 0.627 0 40 FCAB O=C(Nc1ccc(N2CCNCC2)cn1)c1csc(-c2nc[nH]n2)n1 576871376 DQOKBFJDVNHXRQ-UHFFFAOYSA-N 356.415 0.985 0 40 FCAB Cn1cc(CN2Cc3ccnn3[C@H](CNS(=O)(=O)C3CC3)C2)cn1 585111653 DYIOHGBHGCWTFE-CQSZACIVSA-N 350.448 0.255 0 40 FCAB CCOc1cccc(S(=O)(=O)N2CCC[C@](O)(CC(=O)NC)C2)c1 643696282 OIHYZAGLHIHYAN-INIZCTEOSA-N 356.444 0.737 0 40 FCAB COc1ccc2c(=O)n(CC(=O)N3CCN(C(=O)C4CC4)CC3)cnc2c1 677994917 UTUCDMBDSZIJKW-UHFFFAOYSA-N 370.409 0.486 0 40 FCAB CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C(C)(C)CN1CCOCC1 1584839314 GLJDIOCBLHFSFG-UHFFFAOYSA-N 361.508 0.227 0 40 FCAB COc1cc(N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2=O)ccn1 1776007939 NKJZNVHTXDRZRO-UHFFFAOYSA-N 360.414 0.524 0 40 FCAB Cc1nnc2c(N3CCN(c4cc(-n5cccn5)ncn4)CC3)nccn12 1889211638 FIOYUELUOUFEDX-UHFFFAOYSA-N 362.401 0.735 0 40 FCAB Cc1nn(C)c(C)c1CN1CCO[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037984380 ZAIZXANUFBWSDS-SFHVURJKSA-N 350.463 0.875 0 40 FCAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)CN(C)C)C1 2055751429 WNJNWACYUJRANE-LJQANCHMSA-N 362.474 0.784 0 40 FCAB Cc1ccc(S(=O)(=O)NCCC(=O)O)c(C)c1N(C)S(C)(=O)=O 5554085 MSDKHZMXOTZCKJ-UHFFFAOYSA-N 364.445 0.452 0 40 FCAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1 6757215 DMCWMAUYQHPOIX-GFCCVEGCSA-N 374.422 0.839 0 40 FCAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nnnn1C1CC1 8325527 QCXMNXAVAMMEGX-UHFFFAOYSA-N 351.413 0.945 0 40 FCAB Cn1c(N)c(C(=O)COc2ccccc2C(F)(F)F)c(=O)n(C)c1=O 9954662 FTPWTXRNKHHEOF-UHFFFAOYSA-N 357.288 0.947 0 40 FCAB CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 12935739 GDMZUSBVELTEPV-HNNXBMFYSA-N 368.455 0.959 0 40 FCAB CCN(C(=O)Cn1cnc2ccsc2c1=O)[C@H]1CCS(=O)(=O)C1 14140005 SEMVDALBDRDZGH-JTQLQIEISA-N 355.441 0.494 0 40 FCAB COc1ccc(CCNC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 26280975 AQHAQERJEFBNEV-UHFFFAOYSA-N 355.460 0.961 0 40 FCAB Cn1c(Cn2ccc(=N)cc2)c(C(=O)c2ccccc2)c(=O)n(C)c1=O 36354401 DDZMJUZIGQLXNO-UHFFFAOYSA-N 350.378 0.644 0 40 FCAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCOCC1 40159373 POGJVSMYCYIVLY-LLVKDONJSA-N 354.790 0.860 0 40 FCAB COC(=O)CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058332 ZAPPLKRCEAMOEI-ZDUSSCGKSA-N 358.391 0.658 0 40 FCAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCNC2)c1 71397454 QRQHSBULYWAUOR-SECBINFHSA-N 352.865 0.774 0 40 FCAB CN1CCN(C[C@H](CC(=O)Nc2ccc3nsnc3c2)C(=O)O)CC1 79483636 JAJLHHZKQHNFCG-NSHDSACASA-N 363.443 0.968 0 40 FCAB CC(=O)N1CC2(CCN(S(=O)(=O)C3CC3)CC2)[C@]2(CCN(C)C2=O)C1 96036408 UUORRBPJRLFMEX-QGZVFWFLSA-N 369.487 0.271 0 40 FCAB C1CC(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)CCO1 96052371 WOAXGXKXARUTDS-OALUTQOASA-N 354.491 0.995 0 40 FCAB CCS(=O)(=O)N[C@H]1COCCC12CCN(c1ncc(F)cn1)CC2 96216341 DHOMZAACXKWNMR-ZDUSSCGKSA-N 358.439 0.931 0 40 FCAB CCS(=O)(=O)N1CCO[C@@]2(COCCN(Cc3ccncc3)C2)C1 96229450 VQCFIMOOJZQMCX-MRXNPFEDSA-N 355.460 0.335 0 40 FCAB O=C(CCCCCO)NCCCC[C@H](NC(=O)CCCCCO)C(=O)O 247374689 IAACJWGCRHSKBS-HNNXBMFYSA-N 374.478 0.948 0 40 FCAB O=C(CN1CCC[C@]2(CNC(=O)c3ccccc3O2)C1)NC[C@H]1CCCO1 253615495 OCSIWMODMFEDLM-QRWLVFNGSA-N 373.453 0.939 0 40 FCAB Cc1cc(O)nc([C@@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257238587 HLROKVAKBDSGTR-HNNXBMFYSA-N 357.414 0.918 0 40 FCAB CNc1cc(N2CC[C@](O)(CNC(=O)c3cccnc3OC)C2)ncn1 257257702 KQUBODLPTMKRJR-KRWDZBQOSA-N 358.402 0.293 0 40 FCAB Cc1cc(C(=O)N2C[C@H]3c4nn(CC5CCC5)c(=O)c(=O)n4C[C@H]3C2)no1 306125101 CGZGQCJMLUJQAT-CHWSQXEVSA-N 371.397 0.371 0 40 FCAB C[C@@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)C[C@@H]1CCOC1 328933563 PQVGWFJORVCASR-QWHCGFSZSA-N 351.428 0.741 0 40 FCAB CN1C(=O)CCc2cc(C(=O)NS(=O)(=O)c3cnc4n3CCC4)ccc21 408484218 DQSNOFRFEDQGLV-UHFFFAOYSA-N 374.422 0.857 0 40 FCAB COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC 408593470 PRJDUIJZYMKHCZ-BJMVGYQFSA-N 364.310 0.224 0 40 FCAB O=C1CC(C(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)CC(=O)N1 575414723 LRIIXWRGYOOBSC-LBPRGKRZSA-N 370.452 0.489 0 40 FCAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1c(-n2cnnn2)sc2c1CCC2 583652573 QFPROWQMIYZBBM-VIFPVBQESA-N 367.456 0.377 0 40 FCAB Cc1cccc(OC[C@]2(O)CCCN(CC(=O)Nc3ccn(C)n3)C2)c1 585276041 ITIIZUPAYDUQSP-IBGZPJMESA-N 358.442 1.573 0 40 FCAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2cnc[nH]2)CCO1 585285113 WBYXASYUNRLBRQ-KRWDZBQOSA-N 362.361 0.714 0 40 FCAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2nnnn2CC1 643367867 JEAYBVKCLMZFOR-GWCFXTLKSA-N 362.821 0.966 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(C(=O)c2cncc(Br)c2)C1 644031630 FCVNPBJWLKYXEA-CQSZACIVSA-N 356.220 0.947 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C(C)(C)c3cc(C)ccn3)C2)C1 685941573 DGFXKCNESZHYPO-ZDUSSCGKSA-N 358.442 0.473 0 40 FCAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cnc(N3CCN(C)CC3)nc2)C1 1548937366 GOPOFPYCNRXCJF-HZPDHXFCSA-N 357.462 0.914 0 40 FCAB CCc1ncnc(N2C[C@@H]3CN(c4cc(=O)n(C)c(=O)n4C)C[C@H]3C2)c1F 1888842815 HMJAIUOMHMJITC-RYUDHWBXSA-N 374.420 0.148 0 40 FCAB Cc1nc(N2CCO[C@H](C(=O)N3CCOCC3)C2)cc(C(F)(F)F)n1 1889102965 RSVLBPFNOMBDIR-NSHDSACASA-N 360.336 0.868 0 40 FCAB Cc1c(CCC(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc(O)ccc12 2154371 GGQFAOLSSDZFAR-UHFFFAOYSA-N 362.338 0.057 0 40 FCAB biogenic CCOC(=O)C(=O)N1Cc2cc3c(cc2[C@H]2C[C@@H](O)[C@@H](O)C[C@@H]21)OCO3 5048546 VMWHTRDXLWGFIV-RQJABVFESA-N 363.366 0.288 0 40 FCAB COc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1 5392844 DHSVZMSVSTXYCS-ZCTGUTNYSA-N 373.369 0.190 0 40 FCAB COc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)NC(C)C 8475930 BCCRGPUDBARZIE-UHFFFAOYSA-N 355.460 0.770 0 40 FCAB NC(=O)[C@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1 10310125 XPNGNVKUSKGUTG-MRXNPFEDSA-N 356.334 0.915 0 40 FCAB Nc1cc(O)nc2nnc(SCc3nnnn3-c3ccc(F)cc3)n12 12374777 ZHVUCOYBXKSTHN-UHFFFAOYSA-N 359.350 0.819 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)Sc1nnnn1-c1cccc(NC(C)=O)c1 12920736 KZOZUZNAUTWQSS-MRVPVSSYSA-N 363.403 0.557 0 40 FCAB CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2nccnc2N)c1 17104388 IDXLCIJXYXZDCS-UHFFFAOYSA-N 350.356 0.258 0 40 FCAB O=S(=O)(NCCn1nc([C@H]2CCNC2)c2nccnc21)c1ccccc1 19373702 QOFGOWIDAIALKU-ZDUSSCGKSA-N 372.454 0.882 0 40 FCAB CN1CCN(C(=O)C2CCN(c3nc(Cl)nc4[nH]cnc34)CC2)CC1 20650796 ZWRFKDWIEKHZQS-UHFFFAOYSA-N 363.853 0.997 0 40 FCAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 21699354 GJJJSCRUYYIVDK-UHFFFAOYSA-N 353.444 0.960 0 40 FCAB COCCn1c(=O)c2sccc2n(CC(=O)NC2CCCC2)c1=O 57485922 WTSKKJQFOLVEQI-UHFFFAOYSA-N 351.428 0.930 0 40 FCAB O=C(NCCS(=O)(=O)Nc1ccccn1)c1nc2ccccc2c(=O)[nH]1 72288956 XVDHKIWXZHJHIZ-UHFFFAOYSA-N 373.394 0.490 0 40 FCAB CCS(=O)(=O)NCCS(=O)(=O)NCCc1c[nH]c2ccccc12 88766463 UFTSRGMUPPINQY-UHFFFAOYSA-N 359.473 0.569 0 40 FCAB NC(=O)[C@@H]1Cc2ccccc2N1CC(=O)NC[C@@H]1COc2ccccc2O1 89865544 ICVBEFZEZDPUAX-ZBFHGGJFSA-N 367.405 0.859 0 40 FCAB CCN1CCn2c(nn(CC(=O)Nc3ccc(F)cc3F)c2=O)C1=O 98213035 GHOPBPIEKUMBRX-UHFFFAOYSA-N 351.313 0.437 0 40 FCAB CN(C)C(=O)[C@@]1(C)CN(C(=O)c2ccc(-c3cncnc3)nc2)CCO1 257227000 FNEVEAYNPODRSD-GOSISDBHSA-N 355.398 0.858 0 40 FCAB CNc1cc([C@H]2CCCN(C(=O)C3CN(S(C)(=O)=O)C3)C2)ccn1 257296744 REFIDCHBAFHYRQ-ZDUSSCGKSA-N 352.460 0.721 0 40 FCAB CC(=O)N1CCC(O)(CN2CCO[C@@H](c3cc(O)nc(C)n3)C2)CC1 257302554 SDIYKAQQJXIXSB-OAHLLOKOSA-N 350.419 0.237 0 40 FCAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3ccn(C)n3)cn2)CC1 257344730 ZYLIRXFRYGTMEI-UHFFFAOYSA-N 356.430 0.941 0 40 FCAB Cn1cc(CN2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)cn1 306126894 FIEHABCDONXBBN-LSDHHAIUSA-N 356.430 0.168 0 40 FCAB CCS(=O)(=O)NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1 306127884 GJVIKGOUDCZKTA-OAHLLOKOSA-N 356.492 0.681 0 40 FCAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1cn(C)nc1OC 473483177 STGOVVYVDGOWPX-UHFFFAOYSA-N 355.372 0.865 0 40 FCAB CC(C)c1nnc2ccc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)nn12 524733580 WYJLBTKFPLLULQ-JTQLQIEISA-N 369.472 0.643 0 40 FCAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCc1ccc(C(N)=O)o1)CC2 547859191 QKSHAMCLJKYVRZ-UONOGXRCSA-N 351.403 0.840 0 40 FCAB COC(=O)[C@@]1(N2CCN(Cc3c[nH]nc3-c3cccnc3)CC2)CCOC1 585122537 WUCZBTLWDLDJJA-LJQANCHMSA-N 371.441 0.921 0 40 FCAB CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@@](CC(N)=O)(OC)C1 585280722 NVBOLZJDCPXDTI-KRWDZBQOSA-N 352.435 0.759 0 40 FCAB CN1CC[C@H]2OCCN(C(=O)CCCS(=O)(=O)N3CCCC3)[C@@H]2C1 671520173 GOACVAJUNGRQSI-HUUCEWRRSA-N 359.492 0.124 0 40 FCAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)CC[C@H]21 1565547942 YTRKKYIETDFGIS-IAGOWNOFSA-N 362.474 0.102 0 40 FCAB CCn1cc(Cl)c(C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@@H]23)n1 2758600 TUZZVMZSOPUQRP-ZANVPECISA-N 370.818 0.929 0 40 FCAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)NC1CC1 3391002 FFSLQKIFASIFMU-UHFFFAOYSA-N 352.412 0.907 0 40 FCAB NC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2F)cc1 3484731 CWRWZQWHYAPKPP-UHFFFAOYSA-N 373.340 0.836 0 40 FCAB CC(=O)c1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4943409 XPNGTMRHVOCHAO-UHFFFAOYSA-N 369.381 0.665 0 40 FCAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCOCC4)cnc32)cc1C 5057116 ZJZGGFLVBUSBHW-UHFFFAOYSA-N 368.397 0.453 0 40 FCAB CC(=O)NCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 5863236 TVDOGWWOYSBWGB-UHFFFAOYSA-N 369.443 0.481 0 40 FCAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 9661077 NYSDEDBCYYKNLL-UHFFFAOYSA-N 355.391 0.921 0 40 FCAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)cc1 12547543 FMTFGIWKUBDWTJ-UHFFFAOYSA-N 369.381 0.832 0 40 FCAB C[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(F)cc1 12551128 ROCLQKSKVQLBTL-JTQLQIEISA-N 359.361 0.450 0 40 FCAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(O)nn2)cc1 12747476 AQPNVLYLYSDUJL-UHFFFAOYSA-N 357.370 0.705 0 40 FCAB O=C1COc2cc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)ccc2N1 12812992 NBTWDSYMNJNFEO-UHFFFAOYSA-N 358.354 0.917 0 40 FCAB CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@H]2O)cc1F 19615657 GAGWJHPBXLXJQN-IHXVIFPJSA-N 359.354 0.760 0 40 FCAB biogenic CCn1ccc(C(=O)N2CCCC[C@H]2CCNS(=O)(=O)N(C)C)n1 19748943 OFPUDRQIWJSFPA-ZDUSSCGKSA-N 357.480 0.684 0 40 FCAB Cc1cnc(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)CC2)cn1 19749102 HCRCEHFMDLKFLW-OAHLLOKOSA-N 369.425 0.908 0 40 FCAB CC1(C)CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3CCN1CCOCC1 19818775 ZKFWDGQSAYPLKD-UHFFFAOYSA-N 372.425 0.572 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccccc1F 20567897 ABQKYSOEZAAFBR-UHFFFAOYSA-N 359.423 0.040 0 40 FCAB COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(C)CC1 22926977 ULTRDELSKQZNGY-YESZJQIVSA-N 369.579 0.055 0 40 FCAB biogenic,in-vitro O=C(CCc1nnc2ccc(NC[C@@H]3CCCO3)nn12)N1CCOCC1 32105517 SPCJSGZGZVDDPS-ZDUSSCGKSA-N 360.418 0.507 0 40 FCAB Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@@H](O)COCc1ccco1 40287277 MLNFDINOZNIVGR-GFCCVEGCSA-N 350.375 0.262 0 40 FCAB O=C(NCCN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)c1cccs1 44226821 QTUJPMRMASSBRH-UHFFFAOYSA-N 360.439 0.624 0 40 FCAB Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cn1C 95479156 BBTAYEUPHFKHGI-UHFFFAOYSA-N 355.350 0.937 0 40 FCAB CN(CC(N)=O)S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 96005199 PKRYLYRCJWDASQ-ZDUSSCGKSA-N 373.862 0.692 0 40 FCAB Cn1nnnc1COc1ccc(C(=O)NCCCN2CCOCC2)cc1 96101323 QQIQPFZNVZUFDC-UHFFFAOYSA-N 360.418 0.241 0 40 FCAB CS(=O)(=O)N1C[C@@H](C(=O)NCCc2ccccn2)C[C@H]2OCC[C@H]21 97953676 PKPAQVNXPODLDR-NWANDNLSSA-N 353.444 0.179 0 40 FCAB O=C(CN1CCOC1=O)NCc1nnc2ccc(-c3ccsc3)nn12 238837860 HDLLKRKMELXBAO-UHFFFAOYSA-N 358.383 0.921 0 40 FCAB Cc1cc(C)c(S(=O)(=O)NCC(=O)N2CCC(C(N)=O)CC2)c(C)c1 409111840 CPLGTWNXJPUYMI-UHFFFAOYSA-N 367.471 0.614 0 40 FCAB CN(C)S(=O)(=O)N1CCC(CNc2ncnc3ncccc23)CC1 1776001530 YFLUZTZSEXJDTF-UHFFFAOYSA-N 350.448 0.955 0 40 FCAB COc1cc(CCNC(=O)CCN2C(=O)CCC2=O)cc(OC)c1OC 1558544 NNBXUMRGFHCFNQ-UHFFFAOYSA-N 364.398 0.910 0 40 FCAB NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 4023484 WENMCEKQYRVKNH-UONOGXRCSA-N 359.382 0.791 0 40 FCAB biogenic COc1ccc(C(=O)Nc2c(N)nc(SCCO)[nH]c2=O)cc1OC 5082097 MIYVZWIQKHGGQF-UHFFFAOYSA-N 366.399 0.706 0 40 FCAB NC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 5351805 UBGXMSDAGUUGQB-AWEZNQCLSA-N 361.398 0.916 0 40 FCAB CCOc1ccccc1C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 5630756 BPSJXKQVINIJCX-GFCCVEGCSA-N 355.412 0.888 0 40 FCAB CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)C1=O 6942693 GHTHDEJZRPUPIO-UHFFFAOYSA-N 359.382 0.987 0 40 FCAB COC(=O)COc1ccccc1/C=C1\NC(=S)N(CC(=O)OC)C1=O 8092026 PSAHZZUJMBDHBK-XFFZJAGNSA-N 364.379 0.469 0 40 FCAB CN(C(=O)COC(=O)c1[nH]nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 8684894 SLFCKHXJKDRNJC-SNVBAGLBSA-N 351.384 0.365 0 40 FCAB Cc1nnc(SCC(=O)N2CCN(S(C)(=O)=O)CC2)n1C1CC1 8767961 PRWDQJCGLBOHLC-UHFFFAOYSA-N 359.477 0.117 0 40 FCAB CC(=O)Nc1c(O)nc(SCc2nc3ccccc3c(=O)[nH]2)[nH]c1=O 12364314 RKXUFOMGQGYAJB-UHFFFAOYSA-N 359.367 0.963 0 40 FCAB O=C(NCCNS(=O)(=O)c1cccc2nsnc12)c1ccco1 12389330 VSCOUVDRFONDFP-UHFFFAOYSA-N 352.397 0.993 0 40 FCAB CC(=O)Cn1c(CN2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 13115482 LYRLWQRDYNGJHD-RYUDHWBXSA-N 361.446 0.501 0 40 FCAB COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 13580545 WIWIKIMAEQGQBW-GFCCVEGCSA-N 374.434 0.998 0 40 FCAB CCn1cnnc1SCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 14185699 KUVOPVDTFSHHDN-UHFFFAOYSA-N 367.456 0.627 0 40 FCAB Cc1ccc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)c(=O)[nH]1 19131482 DUKKOLDVFHDBCS-AWEZNQCLSA-N 369.425 0.945 0 40 FCAB CC(C)[C@@H](NC(=O)c1ccnn1C)c1cc(=O)[nH]c(N2CCOCC2)n1 19445543 ZQVZDJWTBNBXTJ-OAHLLOKOSA-N 360.418 0.467 0 40 FCAB COCC(=O)Nc1c2c(nn1CC(=O)NC[C@H]1CCCO1)CSC2 23139057 QQMAPBVUYKPGOD-SNVBAGLBSA-N 354.432 0.510 0 40 FCAB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 32771456 UOMWEQDPWWXMNC-UHFFFAOYSA-N 350.437 0.918 0 40 FCAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)C1=O 40012846 GSBUFNQEKPUTOH-SJCJKPOMSA-N 366.439 0.884 0 40 FCAB CC1(C)NC(=O)N(CCCSc2nnnn2C[C@@H]2CCCO2)C1=O 40089690 AXEUDWOCOPMUQH-JTQLQIEISA-N 354.436 0.665 0 40 FCAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(-n3cncn3)nc1)CS2 40108118 ZOGTVXNRZNPHHX-WBMJQRKESA-N 358.427 0.733 0 40 FCAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)n1 89984704 GCEIQUDUSLHIAM-SECBINFHSA-N 363.399 0.963 0 40 FCAB O=C(c1ccco1)N1CCN(C(=O)[C@@H](c2ccccc2)n2cnnn2)CC1 95477193 JQXHMPKKNOAKON-MRXNPFEDSA-N 366.381 0.840 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2cccn2C)C[C@]2(CNC(=O)C2)C1 96036009 FOSSRNUGYCKOBA-SFHVURJKSA-N 361.446 0.407 0 40 FCAB O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccccc1-c1ccc(=O)[nH]n1 96097791 MUJIOCBBSYADNC-UHFFFAOYSA-N 353.338 0.316 0 40 FCAB COC(=O)Cn1/c(=N/C(=O)C2CC2)sc2cc(S(N)(=O)=O)ccc21 100876775 JRTPOALVECWMRR-PEZBUJJGSA-N 369.424 0.361 0 40 FCAB COc1cc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)ccc1OCC(N)=O 101714611 IIGSVJJAHHNAHX-JTQLQIEISA-N 360.366 0.752 0 40 FCAB O=C1C[C@@H](C(=O)N2CCc3c(nc[nH]c3=O)C2)CN1Cc1ccccc1 105733744 TXRCPCLIAUVRBS-CQSZACIVSA-N 352.394 0.703 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@@]2(CC1)CCN(Cc1ccncc1)C2=O 108526643 ZZOWCPDFQDXKMQ-LJQANCHMSA-N 358.442 0.949 0 40 FCAB CO[C@@H]1CC[C@@H](N(C)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@H]1O 257245314 IOYAXTXXCCVPNR-UMVBOHGHSA-N 365.821 0.990 0 40 FCAB CCc1nccn1CCC(=O)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257247204 IXYADCDPBNMDBJ-IIDMSEBBSA-N 350.463 0.566 0 40 FCAB CN(C(=O)c1cc(=O)n(C)c(=O)n1C)[C@H]1CCCN(c2ccccn2)C1 257258525 KUJJSRVMTUTUJV-ZDUSSCGKSA-N 357.414 0.220 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCOCc2ccccc2)C1 260848789 QHHGLCYUCQTPOE-INIZCTEOSA-N 369.487 0.838 0 40 FCAB COc1cccc(CC(=O)N2C[C@H]3OC[C@H](CNS(C)(=O)=O)[C@H]3C2)c1 306143450 YCPAOZTWNVOXCZ-NUEKZKHPSA-N 368.455 0.260 0 40 FCAB O=C(NCCc1noc2ccccc12)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 628039376 LXISGXUXRXNJRO-DLBZAZTESA-N 373.409 0.893 0 40 FCAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)C1 1684721447 RVLYYHWWIMBLTH-SYQHCUMBSA-N 359.492 0.933 0 40 FCAB Cc1cc(CN[C@@H]2CCc3onc(CNS(C)(=O)=O)c3C2)n(C)n1 2055730029 SYQKPISGEMZLKY-LLVKDONJSA-N 353.448 0.413 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)cc1 6999559 LGFLONYKRGZLJQ-UHFFFAOYSA-N 351.359 0.842 0 40 FCAB CC1=NN(CC(=O)O)c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2C1 9059826 MYIMIYYIHZUNJK-UHFFFAOYSA-N 362.390 0.223 0 40 FCAB O=C(NC1CC1)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 12897082 IZUCBLHPUADLCC-PSLQGDIJSA-N 354.362 0.980 0 40 FCAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 13690503 BSYYYDISKJXLDG-INIZCTEOSA-N 356.430 0.865 0 40 FCAB CCN1c2nc3ccccn3c(=O)c2C[C@@]2(C(=O)NC(=O)N=C2O)[C@H]1C 16956672 KZPCMQZTUFNVAA-SECBINFHSA-N 355.354 0.658 0 40 FCAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)NC1CCC1 19346644 BXEHPPQYPZLDDF-SFHVURJKSA-N 357.414 0.614 0 40 FCAB O=c1c2cc(Br)ccc2ncn1C[C@@H](O)CN1CCOCC1 28689986 BELZWRRJXLAXHD-LBPRGKRZSA-N 368.231 0.852 0 40 FCAB COCCNC(=O)CN(CC(=O)NCCOC)Cc1ccc(C)cc1 32831217 ABQRBJOYZCRUAS-UHFFFAOYSA-N 351.447 0.322 0 40 FCAB COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1NC(C)=O 38283228 OMESQRKRZCAGIG-UHFFFAOYSA-N 371.459 0.654 0 40 FCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC2CCN(C(C)=O)CC2)C1 40086214 VZRXRFJCOIKUMH-ZDUSSCGKSA-N 361.464 0.107 0 40 FCAB CC1CCN(c2ncc3c(n2)CN([C@@H]2CCS(=O)(=O)C2)C3=O)CC1 46088797 XBYWDRCMQARKBK-GFCCVEGCSA-N 350.444 0.856 0 40 FCAB COc1ccc(OCCN2CCN(c3ccc4nnnn4n3)CC2)cc1 57369473 PWGKSNKGCYKRSM-UHFFFAOYSA-N 355.402 0.729 0 40 FCAB CNS(=O)(=O)c1ccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)o1 62580591 BQLQVKXEDYSBHP-ZDUSSCGKSA-N 371.459 0.515 0 40 FCAB COc1ccccc1N1CCN(C(=O)CNC(=O)c2cnccn2)CC1 72402882 UYUUFIQVCTYBRM-UHFFFAOYSA-N 355.398 0.564 0 40 FCAB CC(C)N(C)Cc1cc(=O)n2c(n1)CN(C(=O)c1ccnnc1)CCC2 96197561 BZLBDMAHACCKLI-UHFFFAOYSA-N 356.430 0.920 0 40 FCAB Cc1ccc(C(=O)N2CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]2C)cn1 248078763 HYKVCZCCLNDRRM-DZGCQCFKSA-N 355.460 0.806 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)CCc3ccc(Cl)cc3)C2)CN1C 248093075 WKOSFZDZKGVICT-OAHLLOKOSA-N 365.861 0.930 0 40 FCAB COc1ccc(C(=O)N2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 257289869 QANJPNOSGYCEIO-NSHDSACASA-N 350.400 0.847 0 40 FCAB COc1ncccc1CN1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1 306124620 BUTAJFBXVWWZLR-CYBMUJFWSA-N 365.459 0.468 0 40 FCAB COc1ccccc1CN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(C2OCCO2)O1 409305491 NKZRHWXYTJYVJS-NXEZDXNNSA-N 357.362 0.877 0 40 FCAB COc1cncnc1NC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 515055561 WXHKQVPQLATBFH-QMTHXVAHSA-N 359.390 0.702 0 40 FCAB NC(=O)Cc1csc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n1 524732924 AXYOFUGQKSCAFH-NSHDSACASA-N 373.394 0.250 0 40 FCAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCc1cc(C(N)=O)co1)CC2 548333762 XNJPIEXYVGAOFL-KGLIPLIRSA-N 351.403 0.840 0 40 FCAB CN1CCN(C[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)CC1 585291875 URWBDZWSIZKWLE-AEFFLSMTSA-N 367.877 0.064 0 40 FCAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 643432785 ZVZJXNBAHZXUSA-NRUUGDAUSA-N 359.350 0.779 0 40 FCAB O=C(C1CC(F)(F)C1)N1CCO[C@@]2(COCCN(c3cnccn3)C2)C1 1565556157 OTBJURKSKQMKAF-MRXNPFEDSA-N 368.384 0.956 0 40 FCAB Cn1cc(N2C[C@]3(CCN(C(=O)c4cccc(=O)n4C)C3)CC2=O)cn1 1614934464 QSKBRVWLJATWQC-GOSISDBHSA-N 355.398 0.388 0 40 FCAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)nn1C 1888899251 YJVISTIVIUUYGI-BETUJISGSA-N 352.402 0.375 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)Cn5cccn5)C[C@H]4C3)nn12 1888906374 YPQUFUFDCAIKFD-OKILXGFUSA-N 366.429 0.478 0 40 FCAB O=C(CN1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CCOCC1 1889108821 YRTFWRLKDGMXOC-UHFFFAOYSA-N 359.352 0.476 0 40 FCAB O=C(Nc1cnccn1)[C@@H]1C[C@H]2OCC[C@H]2N(CC(=O)N2CCCC2)C1 2055772675 NWKWJBVCSXZTRB-RBSFLKMASA-N 359.430 0.517 0 40 FCAB CNS(=O)(=O)c1ccc(NC(=O)[C@@H](CCSC)NC(N)=O)cc1 3449252 VRCLBJKOLIBUHS-LLVKDONJSA-N 360.461 0.323 0 40 FCAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCOCC2)C1=O 3593619 XKTZRYSLOVEQAB-INIZCTEOSA-N 351.790 0.966 0 40 FCAB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)N1CCOCC1 6480280 VUBJIPZBCYNPBG-MDWZMJQESA-N 364.379 0.993 0 40 FCAB C[C@@H](OC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)C(N)=O 7547603 NJNSMLKEOQRDPV-GHMZBOCLSA-N 365.411 0.265 0 40 FCAB Cc1cc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccccc2)no1 8848720 DLOJCXJEWKDZJN-UHFFFAOYSA-N 368.353 0.492 0 40 FCAB O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCN(c2ncccn2)CC1 9155663 GBLHVNHDHDATGO-UHFFFAOYSA-N 357.414 0.445 0 40 FCAB NC(=O)c1c(NC(=O)C(=O)NCCN2CCCCC2)sc2c1CCC2 13629169 HJCMTNNFASGQES-UHFFFAOYSA-N 364.471 0.876 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1 13847630 PZYOMVKWINONCJ-UHFFFAOYSA-N 374.426 0.644 0 40 FCAB CC(C)(C)NC(=O)CN1CCCN(S(=O)(=O)N2CCCCC2)CC1 22844386 DMRLDFSHVGPBPX-UHFFFAOYSA-N 360.524 0.640 0 40 FCAB CC(=O)N1CCN(C(=O)[C@H]2CCCN(c3ccc4nnc(C)n4n3)C2)CC1 32103105 MJOXFRLQFJGZCE-HNNXBMFYSA-N 371.445 0.340 0 40 FCAB NC(=O)C1CCN(C(=O)c2c(-n3cnnn3)sc3c2CCCC3)CC1 61720544 OFLDIPKPYNKHHY-UHFFFAOYSA-N 360.443 0.940 0 40 FCAB CN(CCC(=O)Nc1ccc(-c2nnn(C)n2)cc1)CCC(=O)N(C)C 72400832 HCLINWSUKAGEBQ-UHFFFAOYSA-N 359.434 0.616 0 40 FCAB O=C(c1cnccn1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224330245 MHNFBINYPCORRB-UHFFFAOYSA-N 355.402 0.066 0 40 FCAB Cc1cc(C(=O)N(C)Cc2nncn2C)cc(S(=O)(=O)N(C)C)c1C 585083420 OLWOJLVTVBUINB-UHFFFAOYSA-N 365.459 0.954 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)c3cccc(F)c3)C[C@@H]21 585110214 XTRSWEWEIUHDSH-GXTWGEPZSA-N 358.373 0.824 0 40 FCAB Cn1cc(O[C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3)C[C@H]2O)cn1 628257585 SGEFNMBEJMLBDA-IAGOWNOFSA-N 353.382 0.870 0 40 FCAB C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cc2cc[nH]c(=O)c2s1 648813092 PGQYNKMPMXISAB-MWLCHTKSSA-N 369.468 0.989 0 40 FCAB CC(C)(C)n1nnc(CNC(=O)NCCN2C[C@H]3CCCCN3C2=O)n1 661361613 KEIYXJASGQKKIP-GFCCVEGCSA-N 364.454 0.517 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cncc(Cl)c3C)C2)C1 685942852 RODRHXLWOSTCPC-SNVBAGLBSA-N 350.806 0.462 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NC[C@@]2(O)CCCc3sccc32)C1=O 1889269637 XSBYSOGSNNVWBT-AWEZNQCLSA-N 373.456 0.679 0 40 FCAB O=C(Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO)O1)c1ccccc1 643293 PIXHJAPVPCVZSV-AGIUHOORSA-N 355.354 0.719 0 40 FCAB CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 5267309 CIWSHFZKZMIYCH-UHFFFAOYSA-N 359.361 0.626 0 40 FCAB CCOC(=O)CSCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 6543646 RZOKBKKFNSRRSO-UHFFFAOYSA-N 360.457 0.289 0 40 FCAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccn1 9157359 ZZTKGFKXUGQHQE-UHFFFAOYSA-N 350.400 0.693 0 40 FCAB Cc1oc([C@H](O)[C@H](O)[C@H](O)CO)cc1C(=O)OCC(=O)c1ccccc1 9364250 GFMKOHHWLHDAFJ-XYPHTWIQSA-N 364.350 0.375 0 40 FCAB O=C(NN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)o1 13139198 TWZRJTJYNJRZFB-XCVPVQRUSA-N 355.144 0.849 0 40 FCAB CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cnn(C)c1C 19553966 VADFAXNWQKQECQ-UHFFFAOYSA-N 370.456 0.388 0 40 FCAB NC(=O)CCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 25227806 OCTPXLJUERKUOZ-UHFFFAOYSA-N 365.377 0.887 0 40 FCAB NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1 32595004 LKAXOFJTBUHMCL-UHFFFAOYSA-N 364.379 0.979 0 40 FCAB C[C@H]1Oc2ccccc2N(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1=O 40024643 LRGRCSBHRIXIHN-VXGBXAGGSA-N 352.412 0.446 0 40 FCAB CNC(=O)c1cccc(CNC(=O)c2cnc3nc(O)[nH]c(=O)c3c2)c1 52531971 VMTSOIGQIQPSHT-UHFFFAOYSA-N 353.338 0.313 0 40 FCAB Cc1ccc(N2CC[C@@H](C(=O)NCC3(C(N)=O)CCOCC3)C2=O)cc1 64868070 CJBXEGOFZFRIAB-HNNXBMFYSA-N 359.426 0.746 0 40 FCAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N[C@H]1CCCCNC1=O 84544092 BWVIDZXJVHTVRC-MNXVOIDGSA-N 354.476 0.497 0 40 FCAB O=C(O)/C=C/c1ccc(NC(=O)CS(=O)(=O)NC[C@H]2CCCO2)cc1 95970402 YFYJPPWUIRIZKH-LHRNQBEKSA-N 368.411 0.821 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)c3ccccn3)C2)O1 96207210 PBZDVNLHUGZUHC-XJKSGUPXSA-N 353.444 0.785 0 40 FCAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)N1CCC[C@@H](C(N)=O)C1 100217161 IAJBVXVPMSXCGS-FSTCNJTKSA-N 355.394 0.798 0 40 FCAB O=C(Nc1cccc(CS(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 223221165 DTSVLBQUVBUMDO-HNNXBMFYSA-N 354.428 0.966 0 40 FCAB COc1cc(N2Cc3ccnn3[C@H](C(=O)NCC3CCOCC3)C2)ncn1 247872544 FCKZDIBMQNCUFA-HNNXBMFYSA-N 372.429 0.786 0 40 FCAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(S(=O)(=O)N(C)C)C[C@@H]23)n1 247946074 JYFBWGIBMBKNAQ-IHRRRGAJSA-N 356.448 0.307 0 40 FCAB Cc1c(N/C=c2\sc3ncnn3c2=O)c(=O)n(-c2ccccc2)n1C 256055335 CFTFHODZKSHCKW-WQLSENKSSA-N 354.395 0.518 0 40 FCAB CCc1cc(C(=O)N2CCOC[C@H]2c2[nH]ncc2S(C)(=O)=O)no1 257336619 YPGAYUVSNKHPMJ-NSHDSACASA-N 354.388 0.577 0 40 FCAB COc1ncccc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 306139936 UEKPDPZBDDYIFS-BRWVUGGUSA-N 369.425 0.757 0 40 FCAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c12 572258377 OUYCMGCVDBOTLK-YPMHNXCESA-N 355.398 0.793 0 40 FCAB CC(C)Oc1ccc(NC(=O)N2CCC[C@](O)(CC(=O)N(C)C)C2)nn1 585088689 IHVIEFLFBVPFHY-KRWDZBQOSA-N 365.434 1.101 0 40 FCAB Cn1ccc(CC(=O)N2C[C@@H]3CCN(Cc4cccnc4)C(=O)[C@H]3C2)n1 585107826 GHOXXIFGYMWIPF-RDJZCZTQSA-N 353.426 0.865 0 40 FCAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)[C@H]1CCOC1 585147643 LSTRQQREYYTDHY-LBPRGKRZSA-N 351.428 0.873 0 40 FCAB COc1ccccc1CNC(=O)C[C@@]1(OC)COCCN(C(C)=O)C1 585281453 XRQBKQKYXSCAMJ-SFHVURJKSA-N 350.415 0.965 0 40 FCAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3nncn3C3CC3)ccc21 600158235 LOYDWAPTUGLAOV-UHFFFAOYSA-N 354.370 0.566 0 40 FCAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H]1COc2c1ccc(C)c2C 660562629 GFKTXAIUNWLQDO-HZSPNIEDSA-N 354.428 0.848 0 40 FCAB COCCN1C(=O)C[C@H](C(=O)Nc2cnn(C)c2C)[C@H]1c1nccn1C 1615549592 QXNFDCCLEPMUDC-WFASDCNBSA-N 360.418 0.637 0 40 FCAB CC(=O)NC[C@@H]1CN(C(=O)NCC2(N(C)C)CC2)C[C@H]1c1cncn1C 1615551277 XETKGKFIBPTYNC-HUUCEWRRSA-N 362.478 0.375 0 40 FCAB COCCN1C(=O)CC[C@H]1c1nc(CNC(=O)c2nccs2)no1 1775964010 NRZJLGSTLAPPBV-VIFPVBQESA-N 351.388 0.766 0 40 FCAB biogenic,in-vitro C[C@@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 838184 OFGGDPVEEALBOZ-SNVBAGLBSA-N 361.377 0.414 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3nn(C)cc3Cl)[C@H]2SC1 2739336 HIWQXSOSGUJLGS-QPUJVOFHSA-N 356.791 0.446 0 40 FCAB CCOC(=O)CC[C@H](NC(=O)[C@H]1CSC(C)(C)N1C=O)C(=O)OCC 5351240 RYYIDNPEFULJBP-NWDGAFQWSA-N 374.459 0.688 0 40 FCAB NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2F)cc1 6859791 IXTVZTXSYHHNSU-UHFFFAOYSA-N 358.416 0.994 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc3ccccn23)cc1 7898649 YMWQKITVTBCFEG-UHFFFAOYSA-N 359.411 0.910 0 40 FCAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 8883598 OTINLODGAFEOCK-AWEZNQCLSA-N 351.428 0.813 0 40 FCAB COc1ccnc2c1c(=O)n(CC(=O)N1CCc3ccccc31)c(=O)n2C 9571586 QDGIXDVWCMDFOC-UHFFFAOYSA-N 366.377 0.693 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(NN)n2Cc1ccc(Br)cc1 12559323 RNNQTHQGUSEVOS-UHFFFAOYSA-N 365.191 0.520 0 40 FCAB Cc1ccc(S(=O)(=O)N(CC(=O)O)[C@H]2CCS(=O)(=O)C2)c(C)c1 13029991 COSROSZTLBIMFX-LBPRGKRZSA-N 361.441 0.566 0 40 FCAB CN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CCCCC1 22354689 AXGVQDHYEUJMJA-CYBMUJFWSA-N 355.460 0.943 0 40 FCAB C[C@H]1Oc2ccccc2N(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)C1=O 22553077 HVAQOISMPIAHHQ-BDJLRTHQSA-N 352.412 0.494 0 40 FCAB CC(C)N(CCNCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C 22876455 UERKYKJGWQYYJG-UHFFFAOYSA-N 356.492 0.981 0 40 FCAB CON(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 36339755 LJMJLTFYTGZKEX-LBPRGKRZSA-N 356.400 0.631 0 40 FCAB O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1ccccn1 36360018 PDFBXPYBUOHWNC-AWEZNQCLSA-N 374.422 0.600 0 40 FCAB CCc1sc2nc(N3CCN(CC(N)=O)CC3)n3ncnc3c2c1C 61969223 KAJXKZJKYHCGLT-UHFFFAOYSA-N 359.459 0.817 0 40 FCAB O=c1cc(CNS(=O)(=O)C2CC2)nc2n1CCCN(CC1CC1)C2 96197621 SGMRSYGKZZTMSZ-UHFFFAOYSA-N 352.460 0.441 0 40 FCAB O=C(CN1CCCCC1)N1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257258975 KWHOFSRTSVSTLN-HOTGVXAUSA-N 351.447 0.090 0 40 FCAB Cc1ccnn1CCC(=O)N(C)C[C@]1(O)CCCN(c2cnccn2)C1 257279755 OIAZTDYDNUOPNC-GOSISDBHSA-N 358.446 0.862 0 40 FCAB COc1ccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc1OC 408620398 IQBDVTWXDXSLAX-UHFFFAOYSA-N 364.431 1.473 0 40 FCAB O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CCN(CCF)CC1 575615844 GOTGQJRAHUEZGB-UHFFFAOYSA-N 358.374 0.282 0 40 FCAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cc(C)nc(N(C)C)n1 585287921 HYUAWLKVOYKHSI-YUELXQCFSA-N 352.435 0.071 0 40 FCAB COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C2)CN(C2COC2)C3)c1 604382129 GOFPFWDSBLQQAP-MRXNPFEDSA-N 373.453 0.305 0 40 FCAB biogenic,in-vitro CCn1nc(C)cc1C(=O)NCCCN1CCN(c2ncccn2)CC1 625112722 MZICCJAZCMITSX-UHFFFAOYSA-N 357.462 0.944 0 40 FCAB O=C(Cc1ccc(F)cn1)N1CCc2ncc(CN3CCOCC3)n2CC1 1565542824 VKNGVWSLMWYWRY-UHFFFAOYSA-N 373.432 0.877 0 40 FCAB COCCN1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)C4(F)CC4)CC3)[C@H]2C1 1565549358 QFCPRCACIBWRTG-KBPBESRZSA-N 353.438 0.516 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2cc(C)oc2C)CC1 2055746243 DVFWXTWNCWCMOI-UHFFFAOYSA-N 359.430 0.885 0 40 FCAB C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)n1cncn1 4733089 URJGXOLQZHMICG-CQSZACIVSA-N 363.443 0.762 0 40 FCAB CCOC(=O)CC[C@@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(=O)OCC 5351237 RYYIDNPEFULJBP-NEPJUHHUSA-N 374.459 0.688 0 40 FCAB CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O 8624276 PHDFHJWWOSMKDH-LQKXBSAESA-N 351.403 0.212 0 40 FCAB biogenic,in-vitro Cc1cc(N)nc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1 8704779 LEFUEXQILRONMF-UHFFFAOYSA-N 364.431 0.745 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 9049985 BVHCCRYTNVGZFJ-NSHDSACASA-N 364.782 0.531 0 40 FCAB CCN1c2nc3ccccn3c(=O)c2C[C@@]2(C(=O)NC(=O)N(C)C2=O)[C@@H]1C 9330089 PQGLDAGJJPGXHO-YPMLDQLKSA-N 369.381 0.160 0 40 FCAB CS(=O)(=O)CC[C@H]1NC(=O)N(CN2CCc3ccccc3C2)C1=O 12914868 ZKQCASUXCGVHLH-CQSZACIVSA-N 351.428 0.357 0 40 FCAB Cn1c(=O)c2c(NC(=O)c3ccc4c(c3)OCO4)ccnc2n(C)c1=O 13010999 ZCZQVYCIAPPYKY-UHFFFAOYSA-N 354.322 0.613 0 40 FCAB COc1ccc(NC(=O)CSc2ncc(CO)n2CC(N)=O)cc1 16954086 DMGFZURXDQEFIU-UHFFFAOYSA-N 350.400 0.600 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1nnc2ccccn12 18124278 NDQFBIGDZKYZKW-UHFFFAOYSA-N 351.374 0.225 0 40 FCAB O=C(CNS(=O)(=O)CCn1cnc2ccccc21)NCc1ccco1 24707841 VSJCQNUVSVHHIN-UHFFFAOYSA-N 362.411 0.865 0 40 FCAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)C1 24839463 OHQMXQSIHWEPOG-TXEJJXNPSA-N 353.510 0.223 0 40 FCAB Cc1nn(C)c2c(=O)n(C)c(N3CCN(C(=O)C4CCCC4)CC3)nc12 28556722 HIXTXGOAZIONCB-UHFFFAOYSA-N 358.446 0.814 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)NCCCN2CCOCC2)ccc1OC 39986282 KXLXCQRMIFCODM-UHFFFAOYSA-N 371.459 0.055 0 40 FCAB CCN(C[C@H]1CCOC1)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 48432157 UUSXQBXIUBPUMW-CYBMUJFWSA-N 365.455 0.952 0 40 FCAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 58262611 XVVUVQJAKHTRQZ-AWEZNQCLSA-N 372.425 0.967 0 40 FCAB CC(C)Cn1nc2ccc(S(=O)(=O)N3CCSCC3)cn2c1=O 65198814 LBDKRBPKXUJAQH-UHFFFAOYSA-N 356.473 0.890 0 40 FCAB Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NC3CCOCC3)[C@@H]2O)cc1 77264715 XPCYHCFUKWIOCZ-ZACQAIPSSA-N 370.471 0.170 0 40 FCAB biogenic,in-vitro COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](CO)OC[C@@H]2C)c1 89941303 DXPADYWMRJMCBY-ONGXEEELSA-N 363.819 0.897 0 40 FCAB Cn1cc(CN2CCn3cc(CNC(=O)c4cnn(C)c4)nc3C2)cn1 96059508 RQYQAEKZRMJREO-UHFFFAOYSA-N 354.418 0.296 0 40 FCAB CNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 100451274 XBYRBUQFCKKPGX-OYFMXXACSA-N 373.453 0.494 0 40 FCAB COC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)CC1 102573546 WUCVZDDMXRJJAV-CQSZACIVSA-N 360.366 0.902 0 40 FCAB Cc1cc(C[C@@H]2COCCN(S(=O)(=O)c3cn(C)cn3)C2)ncn1 257283232 OXJJOJAYOJDGOF-ZDUSSCGKSA-N 351.432 0.398 0 40 FCAB Cn1c(=O)c2ccc([C@H]3CCN(C(=O)c4ccncc4)C3)nc2n(C)c1=O 257318128 VMPPGKWKAYRUJN-ZDUSSCGKSA-N 365.393 0.657 0 40 FCAB CN(C)c1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccnnc4)[C@H]3C2)ncn1 306137236 QQDJKIMOWHWXPG-RBSFLKMASA-N 369.429 0.214 0 40 FCAB CSC[C@H](C)C(=O)N1CCC(C(=O)NC[C@@H]2CN3CCN2CC3)CC1 507884926 JUNNTGFIETUHBI-GOEBONIOSA-N 368.547 0.340 0 40 FCAB COc1ccc(NC(=O)N[C@H]2CCCN(C)C2=O)cc1S(C)(=O)=O 529119252 JZJNFGQJVQSRRG-NSHDSACASA-N 355.416 0.841 0 40 FCAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc3c(nn2)CCC3)CC1 575606747 FEYBFWDAVADHSG-CYBMUJFWSA-N 350.444 0.049 0 40 FCAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2ccncn2)CCO1 585283894 PPKKLVIGQZBGRG-SFHVURJKSA-N 374.372 0.781 0 40 FCAB Cc1[nH]c2ccccc2c1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 643432822 BOKKQCGCQZPHEZ-CQSZACIVSA-N 350.396 0.729 0 40 FCAB COc1ccc(CNC(=O)NC[C@]2(OCCO)CCOC2)cc1OC 663412208 STKJNHQAKKHBKK-QGZVFWFLSA-N 354.403 0.671 0 40 FCAB Cn1cnc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)c1 1888899224 NHIAWXSLDQITJF-RYUDHWBXSA-N 352.402 0.305 0 40 FCAB O=C(NCC1CC1)[C@@H]1CN(C(=O)Cn2ccccc2=O)CC12CCOCC2 2055796036 OGNIDPHUSRSUNS-INIZCTEOSA-N 373.453 0.630 0 40 FCAB COCCn1c(S[C@@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 2619230 ZQLZZAVCZJPAJT-VIFPVBQESA-N 350.400 0.718 0 40 FCAB C[C@@H](O)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 4085299 LZBURFZSWMUWSF-NBZZCRHSSA-N 364.423 0.985 0 40 FCAB biogenic CC(=O)[C@H](C)n1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)cn23)n(C)c1=O 4314264 COMIHJICOIZBSH-WCQYABFASA-N 373.413 0.787 0 40 FCAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 5473272 QQPCBVJDPBQHGU-LBPRGKRZSA-N 369.443 0.029 0 40 FCAB Cn1nnnc1SC(C(=O)N1CCCCC1)C(=O)N1CCCCC1 6219268 UFUZUJXMWBSCMS-UHFFFAOYSA-N 352.464 0.696 0 40 FCAB COc1ccccc1/C=C/C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 8773168 KQWUWSTUYFLNBI-CMDGGOBGSA-N 373.365 0.114 0 40 FCAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 9338443 HICVPFTXUNZNDA-UHFFFAOYSA-N 370.408 0.921 0 40 FCAB CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 12807647 AGYBMJQVYGGNDS-UHFFFAOYSA-N 358.192 0.463 0 40 FCAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 13690502 BSYYYDISKJXLDG-MRXNPFEDSA-N 356.430 0.865 0 40 FCAB C[C@H]1C[C@@H]1c1ccc(CN(C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 17523924 DZISXMYIXSPLQO-JQWIXIFHSA-N 360.414 0.697 0 40 FCAB COc1ccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1Cl 32913272 DOSPEWSGWBREFD-UHFFFAOYSA-N 358.807 0.999 0 40 FCAB Cc1cc(C(=O)NC[C@@H](O)c2ccccc2F)n2ncc(C(N)=O)c2n1 40155912 LZGNQFLCVXGUDJ-CQSZACIVSA-N 357.345 0.739 0 40 FCAB C[C@H](C(N)=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 52115567 NMSYGFMIYQDTII-GFCCVEGCSA-N 369.443 0.028 0 40 FCAB COC(=O)c1cccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)c1 55246061 CNQOQPXFARRLBC-UHFFFAOYSA-N 356.400 0.034 0 40 FCAB CN(C)C1(CNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)CCOCC1 76092654 WIYCPXKNJGSXIM-UHFFFAOYSA-N 351.451 0.734 0 40 FCAB COCCn1nc(C)c(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)c1C 84013933 ILVIQHUEHRUBNS-LLVKDONJSA-N 351.451 0.684 0 40 FCAB O=C(NCCc1nnc2n1CCCC2)Nc1ccc2c(c1)C(=O)NC2=O 96012676 CBPNLIBVOMABME-UHFFFAOYSA-N 354.370 0.862 0 40 FCAB O=C(N[C@H]1CCc2ncnn2C1)[C@@H](c1cccc(F)c1)N1CCOCC1 173694005 YDWGGECQRIHEQP-DOTOQJQBSA-N 359.405 0.922 0 40 FCAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc2c(c1)OCO2 218143585 JIVZNEBULDJISC-OFQRWUPVSA-N 355.412 0.824 0 40 FCAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(c1cc(N(C)C)ncn1)C2 248116993 LUADUNDFGHMIPT-GFCCVEGCSA-N 351.476 0.712 0 40 FCAB C[C@@H](C(=O)N(C)CCc1nccs1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 269946747 WVSGIKWAAMTJHX-QPKSUZNQSA-N 363.439 0.695 0 40 FCAB CC[C@@H](C)Oc1cc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)ccn1 272082292 WLDIRACOEYUDPU-OLZOCXBDSA-N 370.475 0.904 0 40 FCAB COc1cccc(CC(=O)N2C[C@H]3OC[C@@H](CNS(C)(=O)=O)[C@H]3C2)c1 306143449 YCPAOZTWNVOXCZ-FVQBIDKESA-N 368.455 0.260 0 40 FCAB CN1CC[C@H](CNC(=O)N2CCC(C)(N3CCOCC3)CC2)CC1=O 528023893 CXRUKZDGKPISNK-HNNXBMFYSA-N 352.479 0.751 0 40 FCAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2cccc(OCCN(C)C)c2)[C@@H]1O 585287055 RWHKFGNJYMGNHD-ZACQAIPSSA-N 352.431 0.474 0 40 FCAB CSc1ncc(Br)c(N2CC(N3CCNC(=O)C3)C2)n1 1889061779 ZEQDBNOVCVISRA-UHFFFAOYSA-N 358.265 0.581 0 40 FCAB CC(C)NC(=O)c1noc2c1C[C@H](NC(=O)CN1CCOCC1)CC2 2055745746 XPMVOWQZTAYXTB-GFCCVEGCSA-N 350.419 0.119 0 40 FCAB CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COC(C)C 4038414 UYEDARPHKIPRAS-LBPRGKRZSA-N 367.450 0.667 0 40 FCAB Cc1ccccc1-c1nnn(CC(=O)Nc2cccc(S(N)(=O)=O)c2)n1 5326830 UFFXPXJGNVCGJX-UHFFFAOYSA-N 372.410 0.935 0 40 FCAB CC(C)NS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2=O)c1 5672011 VUAMROWBMSQPMK-UHFFFAOYSA-N 368.411 0.679 0 40 FCAB COc1ccc(CC(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1 6561278 XXUZUXBYDSYGBR-UHFFFAOYSA-N 368.455 0.881 0 40 FCAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CC[C@H]1NC(=O)NC1=O 8292868 QCXYEFORLMNNQG-LLVKDONJSA-N 352.778 0.725 0 40 FCAB CCn1c(=S)sc2c(=O)[nH]c(SCC(=O)NCC(=O)OC)nc21 13609868 PKJRFEMGYLXBGL-UHFFFAOYSA-N 374.469 0.917 0 40 FCAB COc1ccc(C(=O)Nc2ccn([C@@H]3C[C@@H](O)[C@@H](CO)O3)c(=O)n2)cc1 15958048 ZASFNFUJGOZQBW-NFAWXSAZSA-N 361.354 0.145 0 40 FCAB biogenic CCN1C[C@@H](C(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)CC1=O 19526963 AZCAIEHFACQDIY-KBPBESRZSA-N 357.458 0.697 0 40 FCAB COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1 20503808 CBWHGWZXBNXNQD-HRCADAONSA-N 356.536 0.140 0 40 FCAB biogenic,in-vitro Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N(C)CC(=O)NC(C)C 40120121 MBDVEZSVQHNIFF-HNNXBMFYSA-N 362.409 0.887 0 40 FCAB C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 41314697 NPRFNDUOYCTJGH-ZDUSSCGKSA-N 354.428 0.568 0 40 FCAB COc1ccc(-c2ccc(=O)n(CC(=O)NCCC(=O)O)n2)cc1OC 49546609 BKNMADZMSBZXBV-UHFFFAOYSA-N 361.354 0.518 0 40 FCAB CN(C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)S(C)(=O)=O 58217545 QDLQXQHGZHLQPO-OAHLLOKOSA-N 354.428 0.709 0 40 FCAB O=C(Nc1cccc(-n2cnnc2)c1)C(=O)N[C@@H](CO)Cc1ccccc1 71334311 ZIYMPEFTTXWJLG-MRXNPFEDSA-N 365.393 0.926 0 40 FCAB O=S1(=O)C[C@@H](O)[C@@H](N2CCN(c3ccnc(-c4ccccc4)n3)CC2)C1 95395083 VWUUXWNAWRUZIM-JKSUJKDBSA-N 374.466 0.424 0 40 FCAB Cn1cnc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)c1 96099555 BZPCERFRVBCCSX-UHFFFAOYSA-N 373.456 0.781 0 40 FCAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 96121836 AWVXVVONEXLOGU-UHFFFAOYSA-N 360.382 0.730 0 40 FCAB O=C(N[C@@H]1CCSC1=O)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124177 HRRHVEYIVSSQJT-GFCCVEGCSA-N 373.442 0.422 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2ccncc2)C[C@@]2(CNC(=O)C2)C1 96262038 HSGOCIVVPGFMTG-GOSISDBHSA-N 359.430 0.464 0 40 FCAB CN(C(=O)c1cc[nH]n1)[C@@H]1CCC[C@H](N2CCC(C(=O)O)CC2)[C@H]1O 257307175 SXMRDKMRZXVEEJ-ILXRZTDVSA-N 350.419 0.560 0 40 FCAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)Cn2ccccc2=O)CCO1 585278043 PJTFZNVUUDIVMC-FQEVSTJZSA-N 356.422 0.989 0 40 FCAB CN1CCN(Cc2ccncc2)C(=O)C12CCN(C(=O)[C@@H]1CCOC1)CC2 1614940388 BBTONWDIGGKMEJ-QGZVFWFLSA-N 372.469 0.753 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NC[C@@]2(O)CCCc3occc32)CC1 1888857162 YPQZRFBKUCPNLM-INIZCTEOSA-N 356.444 0.591 0 40 FCAB CCC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CC(C)C 2384070 BIFHBGXFGOFSIV-CYBMUJFWSA-N 362.308 0.429 0 40 FCAB CCN1CCN(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)CC1 6325855 XQBUOELJEQQFGB-UHFFFAOYSA-N 369.487 0.934 0 40 FCAB CS(=O)(=O)Nc1nc(CC(=O)NC[C@H](O)c2ccccc2)cs1 8992956 AAJYHNCALCZDJH-LBPRGKRZSA-N 355.441 0.907 0 40 FCAB CCCCn1c(C(=O)NCCCOC)cc2c(=O)n(C)c(=O)n(C)c21 11845409 XOZVTRMJFKJCPR-UHFFFAOYSA-N 350.419 0.605 0 40 FCAB CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2ccccc2C)C1=O)C(=O)O 16899566 PFOXNKHGCBRNOT-WCQYABFASA-N 350.396 0.949 0 40 FCAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCN(CCO)CC1 20292381 BKCXMXVDZXFNHG-UHFFFAOYSA-N 374.445 0.570 0 40 FCAB NC(=O)c1ccc(-c2nnn(CCS(=O)(=O)Oc3ccccc3)n2)cc1 22835412 PPKOHLWXLSHZFN-UHFFFAOYSA-N 373.394 0.848 0 40 FCAB CCC(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 32942965 FVODWGKCMOBWEM-LBPRGKRZSA-N 370.427 0.988 0 40 FCAB O=C(CNC(=O)N[C@H]1CCS(=O)(=O)C1)NCc1ccc(Cl)cc1 36357408 PKUBDHBTPVCXCC-LBPRGKRZSA-N 359.835 0.443 0 40 FCAB O=C(CN1C(=O)CCC1=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1 36662493 NIWDWYPYWQCCFH-UHFFFAOYSA-N 371.349 0.878 0 40 FCAB CS(=O)(=O)NCCCNC(=O)Nc1ccccc1Cn1cccn1 40104934 XZADRUPMVQSECN-UHFFFAOYSA-N 351.432 0.992 0 40 FCAB COc1ccc(NC(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2N)cc1 65154811 NDLUNDCBRKCWJH-UHFFFAOYSA-N 370.413 0.988 0 40 FCAB COCc1cc(=O)n(CC(=O)NCc2ccccc2)c(N2CCOCC2)n1 67219746 SBMZSTBXLVJKFP-UHFFFAOYSA-N 372.425 0.543 0 40 FCAB CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1 67644338 PYOWYXQCGWJPIN-AEGPPILISA-N 353.444 0.368 0 40 FCAB CS(=O)(=O)N1CCc2cc(NC(=O)c3nccnc3C(=O)O)ccc21 71286006 SZPPDDGXJLJOFF-UHFFFAOYSA-N 362.367 0.749 0 40 FCAB CCn1cc([C@@H]2C[C@@H](C(=O)NC(C)(C)C)N(C)S(=O)(=O)N2)c(C)n1 72335031 PEQYEWWXRMTZSX-STQMWFEESA-N 357.480 0.706 0 40 FCAB O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 85469163 HLTHMYHYLYNXAR-NLRBGTRBSA-N 352.818 0.941 0 40 FCAB O=C(C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N1CCOCC1 94992993 TXODKBMDWGSCGE-UHFFFAOYSA-N 370.409 0.311 0 40 FCAB Cc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1OCC(=O)N(C)C 96193192 JMKITKVPZLMMNG-CYBMUJFWSA-N 356.444 0.919 0 40 FCAB O=C(CN1CCOC1=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225780232 QGXMARXBYMXZAJ-UHFFFAOYSA-N 362.773 0.685 0 40 FCAB N[C@@H](CCC(=O)O)C(=O)N1C[C@@H](O)[C@@H](Cc2ccnc3cccnc23)C1 257254402 KCXPRPZHATZIKZ-KCQAQPDRSA-N 358.398 0.184 0 40 FCAB Cc1cc(N2CCC[C@](O)(CNC(=O)CCn3ccc(C)n3)C2)ncn1 257317095 VIJYKZIHQJFGJT-SFHVURJKSA-N 358.446 0.828 0 40 FCAB COC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 408588548 DBNXSKWADRSDTR-WDEREUQCSA-N 360.432 0.522 0 40 FCAB CC(C)C(=O)N1CC2(CN(C(=O)c3cccnc3)C[C@H]3C[C@@H](O)CN32)C1 514289194 JEBZHYGREQRAAA-HZPDHXFCSA-N 358.442 0.210 0 40 FCAB biogenic,in-vitro CCS[C@@H]1CCC[C@H]1NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 530891637 PFRBIISFEJIPSF-HTKHVQBFSA-N 352.456 0.939 0 40 FCAB CNC(=O)CC[C@]1(O)CCCN(CC(=O)NCc2ccc(F)cc2)C1 585278090 LNWMDOKPCXZTFW-GOSISDBHSA-N 351.422 0.795 0 40 FCAB Cn1cc(S(=O)(=O)N2CCC(Nc3ncccc3C(=O)O)CC2)cn1 647450308 JQZLCVNQUGUDGB-UHFFFAOYSA-N 365.415 0.779 0 40 FCAB O=C(O)c1cn([C@@H]2CCCN(C(=O)Cc3cn4c(n3)CCCC4)C2)nn1 652073502 HMOIOIRJLKSDMH-CYBMUJFWSA-N 358.402 0.915 0 40 FCAB CCOC(=O)c1cccc(O[C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2O)c1 2037888063 QOYUONGRQINLFE-HZPDHXFCSA-N 359.382 0.861 0 40 FCAB CCCNC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)CN(C)C(C)C)OC2 2055754584 FILBGVGHTPKOME-LBPRGKRZSA-N 351.451 0.447 0 40 FCAB O=C(CSc1nnc2ccccn12)NCCN1C(=O)CSC1=O 2639291 UUWOOHFTPQGGKI-UHFFFAOYSA-N 351.413 0.633 0 40 FCAB CSc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 4829878 OHMZNMPTRLQGPJ-UHFFFAOYSA-N 359.411 0.794 0 40 FCAB O=C(O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 5023416 ZJLFNOBPZOMUGQ-UHFFFAOYSA-N 361.335 0.715 0 40 FCAB CN(C)C(=O)COC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 5280252 GEBKGVPDIRQKLF-UHFFFAOYSA-N 369.424 0.543 0 40 FCAB CNc1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)s1 8901582 REJXKOFRIJXKLY-UHFFFAOYSA-N 354.417 0.322 0 40 FCAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCOCC1 12200528 SGOJXRZYDJTAJH-UHFFFAOYSA-N 354.384 0.370 0 40 FCAB O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccco1 12444827 UGLGOBUPHJCKNX-UHFFFAOYSA-N 364.427 0.556 0 40 FCAB O=C1CCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1 13628162 OYUULOXRNZEAIX-UHFFFAOYSA-N 371.437 0.847 0 40 FCAB CCN(C(=O)[C@@H](C)OC(=O)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 14239634 INNXWUPMFYWQRZ-NEPJUHHUSA-N 358.416 0.872 0 40 FCAB C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15957479 FITUUBFJCVHWRH-WPMYHTOXSA-N 369.421 0.730 0 40 FCAB biogenic Cc1cccc(N2CCN(CCS(=O)(=O)CCC(N)=O)CC2)c1C 16484489 PYSBIQMSEZHRFT-UHFFFAOYSA-N 353.488 0.716 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)c1cnn(-c2cccc(F)c2)c1N 19021336 AUHZJXLIMLEQKJ-OAHLLOKOSA-N 373.388 0.903 0 40 FCAB Cc1cc(NC(=O)C(=O)NCCN2CCOCC2)ccc1N1CCCC1=O 23006325 XUGLOGUPBCAEFR-UHFFFAOYSA-N 374.441 0.509 0 40 FCAB C[C@@H](C(=O)NC(N)=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804126 NSHSVCHCDPBBMH-ZDUSSCGKSA-N 358.442 0.867 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H]2CCCO2)cc1C 38556520 KYQBORARXQVFAT-CHWSQXEVSA-N 356.444 0.966 0 40 FCAB CN(C)c1ncccc1CNC(=O)CNS(=O)(=O)c1cccs1 58145786 VWIBHDBPBQKJIF-UHFFFAOYSA-N 354.457 0.804 0 40 FCAB COCC(=O)N1CCN(C(=O)CN2CCOc3ccc(Cl)cc32)CC1 76060941 RFOAFWIZDKUVIG-UHFFFAOYSA-N 367.833 0.856 0 40 FCAB O=C(c1cnccn1)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 96218183 KGGQMKRJVGHANM-CQSZACIVSA-N 356.386 0.317 0 40 FCAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)COc1ncccn1 224361063 ULTTUGRSMSWGIF-UHFFFAOYSA-N 359.390 0.187 0 40 FCAB CC(=O)NCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1 257223855 DZFLBAFNDYHHKM-WFASDCNBSA-N 351.378 0.433 0 40 FCAB CC(=O)NC1CCN(C(=O)c2cc([C@@H]3OC[C@@H](O)[C@H]3O)oc2C)CC1 257314252 UWAOIOYWBKPMON-BMFZPTHFSA-N 352.387 0.122 0 40 FCAB O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc2cc[nH]c2n1 329365328 GJLIBLXATKWKIE-AWEZNQCLSA-N 357.414 0.226 0 40 FCAB Cc1sc(-n2cnnn2)c(C(=O)NCCCN2CCOCC2)c1C 524735354 WTPBILSBMCDQCR-UHFFFAOYSA-N 350.448 0.793 0 40 FCAB CN1N=C(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)CCC1=O 585288021 MYLXFRVKUYWCHD-ZSZQSSIHSA-N 357.410 0.741 0 40 FCAB c1nc(N2CCOCC2)cc(N2CCN(c3ncnc4c3CCC4)CC2)n1 606157032 MKLWAJDTGCYGAA-UHFFFAOYSA-N 367.457 0.919 0 40 FCAB Cn1ncc(Br)c1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 640867657 VSQVOAKKTNIVQE-WCQGTBRESA-N 357.252 0.900 0 40 FCAB COc1ncc(Cn2cc(CNC(=O)C3CCNCC3)nn2)cc1Cl 641121793 LXHZVQFUPCGNSC-UHFFFAOYSA-N 364.837 0.999 0 40 FCAB O=C(CCc1cncnc1)N1CCC2(CC1)C(=O)NCCN2CC1CC1 1565542751 ZQAUUQFBKQJXLT-UHFFFAOYSA-N 357.458 0.612 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cncn5C)C[C@H]4C3)nn12 1888904056 FSUNNLYCUIHKNX-BETUJISGSA-N 366.429 0.629 0 40 FCAB Cc1cc(N2CCCC2)nc(N2CCN(c3nccn(C)c3=O)CC2)n1 1889078046 WVQDCJYDKGPDBW-UHFFFAOYSA-N 355.446 0.806 0 40 FCAB CC(=O)NCC(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037838303 CAPDOLXTAKNPPL-UHFFFAOYSA-N 363.389 0.686 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2cc(C3CC3)on2)CC1 2055746022 ATJYJRDBCNYIBE-UHFFFAOYSA-N 372.429 0.540 0 40 FCAB NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12 1578614 MOZMMGVADQTNEZ-AEFFLSMTSA-N 366.421 0.956 0 40 FCAB CC[C@H](C)[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)OC 7398793 DARKTBPLNRYMML-IINYFYTJSA-N 368.411 0.535 0 40 FCAB O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4)N1CCOCC1 12336911 PWZGXDRJPRVRIN-UHFFFAOYSA-N 373.438 0.843 0 40 FCAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)CCN1 12822991 NJBVAHAGLPTQQC-UHFFFAOYSA-N 366.424 0.516 0 40 FCAB CC[C@@H]1C(=O)NCCN1C(=O)COc1ccc(-n2nc(C)cc2C)nn1 19718871 RWXMSSZEUJPNOU-CYBMUJFWSA-N 358.402 0.395 0 40 FCAB CCN(CC)S(=O)(=O)N(C)Cc1cc(NC)nc([C@H]2CCCN2)n1 19760720 CHWZJWTVWJJBQK-CYBMUJFWSA-N 356.496 0.961 0 40 FCAB C[C@@]1(NC(=O)CCc2nc(-c3ccncc3)no2)CCS(=O)(=O)C1 22741256 QJEFZOUTLAFJGZ-OAHLLOKOSA-N 350.400 0.758 0 40 FCAB COc1ccc(C(C)=O)c(OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 24033987 UCEWFHKNTKOVGP-INIZCTEOSA-N 355.412 0.970 0 40 FCAB CC(C)N(C)S(=O)(=O)NCC(=O)N1CCN(c2ccccc2)CC1 58192582 VZXXFDVENIYPMN-UHFFFAOYSA-N 354.476 0.510 0 40 FCAB O=C(c1cc([C@H]2CCCCN2C(=O)c2cc[nH]n2)n[nH]1)N1CCOCC1 72380514 URKNVRKNCCIKRM-OAHLLOKOSA-N 358.402 0.973 0 40 FCAB Cc1cccc(NC(=O)CNC(=O)N2CCN(c3ncccn3)CC2)n1 72400740 XNGRTVCPYAWRSL-UHFFFAOYSA-N 355.402 0.650 0 40 FCAB O=C1CO[C@]2(COCCN(S(=O)(=O)C3CC3)C2)CN1c1ccccn1 96051383 RWFTTWLZLOYVKN-INIZCTEOSA-N 367.427 0.008 0 40 FCAB O=C(c1cccnc1)N1CCCn2c(nc(Cn3cncn3)cc2=O)C1 96059626 PWEHXKBCRPIIHI-UHFFFAOYSA-N 351.370 0.324 0 40 FCAB CCCCS(=O)(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224334206 NNNYUAOJKQGLQT-UHFFFAOYSA-N 369.491 0.565 0 40 FCAB CCN1CCN(S(=O)(=O)c2ccc3c(c2)N(CC)C(=O)CO3)CC1 227161992 ANHGUSAIUHURDL-UHFFFAOYSA-N 353.444 0.758 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)OC1 247542493 SQHDGAAEPJMSCJ-NSHDSACASA-N 369.443 0.722 0 40 FCAB CN(C)C(=O)CCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1 252479679 BJTNBARKOZZWSD-UHFFFAOYSA-N 353.444 0.679 0 40 FCAB CC(=O)N1CCN([C@H]2CN(Cc3ccc(OCCF)cc3)C[C@@H]2O)CC1 257231302 GGCPIYAQANFAAN-OALUTQOASA-N 365.449 0.744 0 40 FCAB CN1C(=O)C[C@H](NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1=O 328851685 ZTUXHIAPWSNCDT-NSHDSACASA-N 363.798 0.503 0 40 FCAB CCCN1CCN(S(=O)(=O)CCCN2CCOCC2)C(C)(C)C1=O 331162047 LHYHUSGAPVNCSZ-UHFFFAOYSA-N 361.508 0.371 0 40 FCAB COC[C@H](C)NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 408617980 IJMPPTFMLNOCQM-NSHDSACASA-N 360.432 0.621 0 40 FCAB Cn1cc(CNS(=O)(=O)CC2CN(C(=O)c3cccs3)C2)cn1 521398270 SIFZPQRUNUHTFV-UHFFFAOYSA-N 354.457 0.673 0 40 FCAB CCCS(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)C3CC(F)(F)C3)[C@H]2C1 575402602 CIJVGZOPEOXRFG-YNEHKIRRSA-N 366.430 0.835 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N(CCN)[C@H]1CCS(=O)(=O)C1 575421004 HIWMEIUIOAQQCO-LBPRGKRZSA-N 362.473 0.140 0 40 FCAB CCN1C(=O)C[C@H](C(=O)NCCc2cn(C)cn2)[C@H]1c1cnn(C)c1C 616207619 IEYILYJRXYUDEH-YOEHRIQHSA-N 358.446 0.730 0 40 FCAB O=C(Cn1c(=O)cnc2ccccc21)N[C@H](c1ccccc1)c1nn[nH]n1 622611489 FZACLLHGWQKISR-QGZVFWFLSA-N 361.365 0.815 0 40 FCAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1OCCc2ccccc21 643432548 UDZYIPACZNFNRI-KBPBESRZSA-N 353.396 0.401 0 40 FCAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3ncn(C)c23)C1 685942662 KYHYLMCPXMBYRA-YWPYICTPSA-N 354.414 0.986 0 40 FCAB O=C1NC(=O)C2(CN(C(=O)c3ccc(C(=O)c4cccc(O)c4)cc3)C2)N1 1159371393 WBWJWVXVTYAKMQ-UHFFFAOYSA-N 365.345 0.657 0 40 FCAB Cn1cnc2c1CCN(C(=O)CCc1cncnc1)[C@H]2CN1CCOCC1 1565550287 XSOPZQUJDRLQSX-KRWDZBQOSA-N 370.457 0.601 0 40 FCAB O=C(c1ccc(O)nn1)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615153842 FMENDNRAMBTDND-SFHVURJKSA-N 372.356 0.969 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)C(C)C)C[C@@H]4C3)nn12 1888879060 JNLFTSUUOBDNKF-STQMWFEESA-N 364.475 0.793 0 40 FCAB O=C(CN1CCOCC1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037985279 DLOOTUVSDPPLQG-FQEVSTJZSA-N 373.453 0.601 0 40 FCAB COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)c1ccc(O)cc1O 1587990 DGUKXOCPAOCKAW-UHFFFAOYSA-N 364.335 0.981 0 40 FCAB COCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 2140805 CUIKYLKSZVPUPE-VIFPVBQESA-N 365.249 0.879 0 40 FCAB COc1ccc(O[C@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)cc1 4275860 HIJHNNAKJPQRND-NRKLIOEPSA-N 367.398 0.816 0 40 FCAB CC(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)C(C)C 5937607 GSNHUZKVJYBXDP-AWEZNQCLSA-N 373.500 0.742 0 40 FCAB CCOC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 8637557 PQVCPNBJJUTXJQ-HNNXBMFYSA-N 374.397 0.927 0 40 FCAB CCN(C(=O)[C@H](C)OC(=O)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 14239640 INNXWUPMFYWQRZ-RYUDHWBXSA-N 358.416 0.872 0 40 FCAB CCOC(=O)N[C@](NN1CCN(C)CC1)(C(=O)OCC)C(F)(F)F 19169447 PEDZWTQIOPRVEV-LBPRGKRZSA-N 356.345 0.306 0 40 FCAB CCCN1C(=O)/C(=C\NCC(C)(C)N2CCOCC2)C(=O)NC1=S 25436557 WVLUYOGVWXDNMU-BENRWUELSA-N 354.476 0.224 0 40 FCAB O=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)NCc1ccccc1Cl 36366846 AYCFDUZBGSYKMQ-LLVKDONJSA-N 359.835 0.443 0 40 FCAB CC(=O)N1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)CC1 36389527 NUVCKCHPZFMAAV-SFHVURJKSA-N 373.432 0.929 0 40 FCAB CC(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1C(=O)NC(=O)NC1=O 38664723 UJNDUUPJACPTET-UHFFFAOYSA-N 355.354 0.536 0 40 FCAB CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(C)cc1 39985968 DVNBUCALXZMOKA-UHFFFAOYSA-N 369.487 0.454 0 40 FCAB CC1(C)S[C@H]2[C@H](C(=O)[C@H]2NC(=O)[C@H](N)c2ccc(O)cc2)[C@H]1C(=O)O 40163780 KPMUTTPQTKHPLK-ROEYZRMQSA-N 364.423 0.671 0 40 FCAB C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)N1CCOCC1 58266349 WEZPKCYLBRHVOW-ZDUSSCGKSA-N 361.398 0.166 0 40 FCAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCS(=O)(=O)C1 95532373 WVURKANUPLFKBG-HZMBPMFUSA-N 350.396 0.715 0 40 FCAB O=S(=O)(C1CC1)N1CCC[C@@]2(COCCN(c3cnccn3)C2)C1 96076832 VGCXNDBOQODNFO-INIZCTEOSA-N 352.460 0.888 0 40 FCAB CNC(=O)[C@@]12CCC3(CCN(C(C)=O)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143723 VLMXMNLDUOOHEG-XJKSGUPXSA-N 357.476 0.033 0 40 FCAB CC(C)OC[C@@H](O)CN1CCN(CC(=O)N2CCc3ccccc32)CC1 97473142 CQPYYMJDYFCSKO-SFHVURJKSA-N 361.486 0.979 0 40 FCAB COCCNc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217632009 IEVWCYANGKMXDY-NSHDSACASA-N 358.416 0.900 0 40 FCAB O=C(O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1N1CCOCC1 217634467 NWCCWXQOHBOCIV-LBPRGKRZSA-N 370.427 0.679 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)NCCO)cn2)cc1 223386342 TZGGGDBXWPBVPH-UHFFFAOYSA-N 364.427 0.328 0 40 FCAB CCCNC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224501733 DOYUURZVIHNECR-UHFFFAOYSA-N 371.459 0.796 0 40 FCAB Cc1ccc(C2=NN(/C=c3\sc4ncnn4c3=O)[C@H](C(=O)O)C2)cc1 256027771 ATJHWGHNHGDZRA-BPLGCGBFSA-N 355.379 0.480 0 40 FCAB C[C@@]1(O)CCN(C(=O)CCCC(=O)O)C[C@H]1n1cnc2c(N)ncnc21 257212099 CBYVBCPMAKIAIO-QLJPJBMISA-N 362.390 0.188 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccc(CN2CCOCC2)cn1 257283541 OYTRWFFZKKGGTH-MRXNPFEDSA-N 354.476 0.857 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 585108777 COCRKHILMIEZLQ-YQQAZPJKSA-N 368.455 0.791 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)Nc2cnc3c(c2)COCC3)CC1 679156362 ZPUOAXIFVRHMNJ-UHFFFAOYSA-N 354.432 0.700 0 40 FCAB Cc1noc([C@H]2CN(C3CN(C(=O)Cc4cccnc4C)C3)CCO2)n1 685941834 HVOREBRAMGERJV-MRXNPFEDSA-N 357.414 0.908 0 40 FCAB O=C(c1ccc(O)nn1)N1CCC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 1565552007 NHKREBHVSBBTFM-SJCJKPOMSA-N 356.386 0.848 0 40 FCAB Cc1nc(N2CCN(CC3(O)CCOCC3)CC2)cc(-n2cccn2)n1 2298183963 CUNISRSHYXURKH-UHFFFAOYSA-N 358.446 0.634 0 40 FCAB CC(=O)C(Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1)C(C)=O 6186089 XASKCURKFMUMLO-UHFFFAOYSA-N 350.356 0.836 0 40 FCAB O=C1C[C@@H](C(=O)Nc2ccccc2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 12388982 OIJDPUZQASXRAT-GFCCVEGCSA-N 369.381 0.671 0 40 FCAB COc1ccccc1[C@@H](C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 12558944 MUASAEILULFIRB-LLVKDONJSA-N 371.397 0.320 0 40 FCAB O=C(CN1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1)NC1CC1 12792077 ITQPXYGEEYUJHV-UHFFFAOYSA-N 359.426 0.423 0 40 FCAB O=C(CCn1nnn(-c2ccccc2)c1=O)NC(=O)NCc1ccccc1 14083255 ASUDUTHSIOFDDA-UHFFFAOYSA-N 366.381 0.845 0 40 FCAB COc1ccccc1CN(C)CC(=O)N1CCN(S(C)(=O)=O)CC1 14185790 BFHKEIWTGDDTOR-UHFFFAOYSA-N 355.460 0.231 0 40 FCAB C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc2c(c1)OCO2 14200984 NJMGSGKVULDVJC-JTQLQIEISA-N 355.354 0.736 0 40 FCAB Cc1cc(C(=O)NC(C)(C)CN2CCCCC2)c2c(=O)[nH]c(=O)n(C)c2n1 19716366 MMIXBRXUEOHPDQ-UHFFFAOYSA-N 373.457 0.925 0 40 FCAB O=c1cc(CO)oc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1O 20621845 YISQWELKTFAKFP-UHFFFAOYSA-N 374.393 0.884 0 40 FCAB Cc1cccc(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)c1 24032688 XBSDBVQHSJJZOV-UHFFFAOYSA-N 360.458 0.410 0 40 FCAB C[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCCCC1 40150063 IDFYAEORRRIHCV-NSHDSACASA-N 354.432 0.857 0 40 FCAB Cc1cc(C(=O)N2CCOCC2)c2c(=O)[nH]c(=O)n(-c3ccccc3)c2n1 47218866 ZZDGIYXFMTVDEU-UHFFFAOYSA-N 366.377 0.855 0 40 FCAB O=C(CN1CCOCC1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 54772461 SWSNECQVXINHFA-UHFFFAOYSA-N 353.369 0.581 0 40 FCAB Cc1cc(C)cc(OC[C@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 55379753 JRPUZQOCMSTFTN-CYBMUJFWSA-N 358.398 0.490 0 40 FCAB CCCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCc3c2cnn3C)CC1 59321850 RAMQZUMHQWQRCS-OAHLLOKOSA-N 362.478 0.651 0 40 FCAB Cc1nc(-c2ccc(OC[C@@H](O)CN3CCN(CCO)CC3)cc2)no1 72403349 LVJIGGPABQKMDP-INIZCTEOSA-N 362.430 0.395 0 40 FCAB CC(C)n1ccnc1CN1C[C@H]2CN(S(C)(=O)=O)C[C@@]2(C(=O)O)C1 91694346 KSYFONLHWDUQFX-WFASDCNBSA-N 356.448 0.242 0 40 FCAB Cn1c2c(c(=O)n(C)c1=O)[C@H](CC(=O)NCCCc1ccccc1)C(=O)N2 101514022 IDMBLMXPBPFRJZ-ZDUSSCGKSA-N 370.409 0.259 0 40 FCAB CS(=O)(=O)NC[C@H]1CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]12 306126725 FDGVMIMKKCOVKM-WOSRLPQWSA-N 354.428 0.411 0 40 FCAB CCN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1cc(C)c(C)cc1C 575424013 QYYUFKHSKGNOGU-ZIAGYGMSSA-N 361.485 0.780 0 40 FCAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)Cc2ncnn2C1 1565545347 DISOVFDVEWYZAS-MKVSYHDVSA-N 367.409 0.768 0 40 FCAB COc1nc(N2CCO[C@H](C(=O)NC3CC3)C2)ncc1Br 1888853478 KORBBSCPWUEVTP-JTQLQIEISA-N 357.208 0.732 0 40 FCAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)CN(C)C)C1 2055746498 OIJHNZDGIHYDHY-SFHVURJKSA-N 366.437 0.533 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 5311493 LYOTVXKAUIRHNI-ZCFIWIBFSA-N 352.372 0.602 0 40 FCAB COCCNC(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 6739034 VTJPYXBISMNNMP-QWHCGFSZSA-N 369.468 0.743 0 40 FCAB CC(=O)NCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 6779070 XVSZWVXLCNDQHH-ZDUSSCGKSA-N 357.407 0.231 0 40 FCAB COc1cc2c(cc1OC)CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)CC2 7289144 NQQMSRJJXQRCAQ-UHFFFAOYSA-N 361.354 0.009 0 40 FCAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-n2cnnn2)cc1 8231960 SFQKFDVOFBRDAE-UHFFFAOYSA-N 369.385 0.856 0 40 FCAB CN(C)c1nc(N)nc(COC(=O)c2cccc(S(C)(=O)=O)c2)n1 12473565 GJIBMVVJOJFBFN-UHFFFAOYSA-N 351.388 0.280 0 40 FCAB CNC(=O)CSc1nnc(SCC(=O)NC)n1-c1ccccc1 15108853 SORGYXWMVQZLOC-UHFFFAOYSA-N 351.457 0.944 0 40 FCAB COCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CC1)CC2 19592828 IPFGPDDIMRDFSI-OAHLLOKOSA-N 374.441 0.765 0 40 FCAB COC(=O)c1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 21171275 VSBSUZFWIHPLBF-NSHDSACASA-N 357.384 0.164 0 40 FCAB Cc1ccccc1CCNC(=O)CN1CCN(CC(=O)NC2CC2)CC1 22808341 TZXVUBUPYOHKLI-UHFFFAOYSA-N 358.486 0.550 0 40 FCAB COc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)c(OC)c1 23972692 CCSVYHIONFZKPI-UHFFFAOYSA-N 351.403 0.481 0 40 FCAB CCCCNc1nc(Oc2ccc(OCC(N)=O)nn2)nc(N(C)C)n1 27260587 OUMKOHBXPDNXFM-UHFFFAOYSA-N 362.394 0.596 0 40 FCAB C[C@H]1NC(C(=O)OCC(=O)NCc2ccco2)=NN(c2ccccc2)C1=O 32810048 NCIVPNXXGMRNDA-GFCCVEGCSA-N 370.365 0.777 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cn1c(=O)[nH]c2ccccc21 79612407 RJZKINXXHAPLAS-GFCCVEGCSA-N 366.443 0.260 0 40 FCAB CCCCS(=O)(=O)N(C)CC(=O)NCc1nccc(N2CCCC2)n1 224157910 JAVRZLHSBDKTIH-UHFFFAOYSA-N 369.491 0.755 0 40 FCAB Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)nn1 225429921 YBZSEJFCEUCCGW-ZBFHGGJFSA-N 374.441 0.792 0 40 FCAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)N1CCN(S(C)(=O)=O)C1=O 225601472 AJUWSPOHLCXHKL-NSHDSACASA-N 367.427 0.959 0 40 FCAB CNC(=O)[C@@H]1[C@H](C(=O)O)[C@@H]2CCC(=O)N2[C@H]1c1ccc(OC)c(OC)c1 247959474 PVKXEZWIHBYMBF-UGGSBELWSA-N 362.382 0.813 0 40 FCAB Cn1nc(C(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)ccc1=O 253473530 VTJNDJMTYMLKHV-ZDUSSCGKSA-N 356.338 0.230 0 40 FCAB NCCCC[C@H](N)C(=O)N1C[C@@H](O)[C@@H](Cc2ccnc3cccnc23)C1 257319659 VTMPDVSPHSAHJW-YQQAZPJKSA-N 357.458 0.448 0 40 FCAB CC(C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cnccn4)CC3)[C@H]2C1 585106040 GYXTWOITKKRLOF-CABCVRRESA-N 357.458 0.785 0 40 FCAB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 585290009 PRGOUYFIOPHIEC-PFTVGFCYSA-N 362.474 0.733 0 40 FCAB O=C(CC1(O)CCC1)N1CC[C@@H]2OCCN(S(=O)(=O)C3CC3)[C@H]2C1 1565544052 CNLXXRVRRQPZMI-KBPBESRZSA-N 358.460 0.085 0 40 FCAB c1nc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c2cc[nH]c2n1 2079513745 KNJIPFAKVPSYIZ-UHFFFAOYSA-N 366.429 0.911 0 40 FCAB CCn1nnc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)cnc21 13531498 GIPWCYZJCIFBMF-UHFFFAOYSA-N 356.342 0.053 0 40 FCAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 14729230 QBIGYTAEPFSUGM-INIZCTEOSA-N 364.467 0.885 0 40 FCAB Cc1nn(-c2nc(=O)c(C)c(C)[nH]2)c(C)c1CCC(=O)N1CCN(C)CC1 16980711 XVLUUPSPTUZUAW-UHFFFAOYSA-N 372.473 0.896 0 40 FCAB COCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(C)C1 20464364 AMVSEJXTIDYZLU-RYUDHWBXSA-N 360.370 0.973 0 40 FCAB biogenic,in-vitro COCCNC(=O)CN(C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 21672782 NEFQEXMQOVMZOZ-GFCCVEGCSA-N 353.419 0.684 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@H]1CCN(c2ccccc2)C1 31235634 JVVHIGRQVKLJFF-CQSZACIVSA-N 356.426 0.947 0 40 FCAB Cn1c(NCCCN2CCN(c3ccccc3O)CC2)cc(=O)n(C)c1=O 32254647 RTAZNTLYYQIDMA-UHFFFAOYSA-N 373.457 0.414 0 40 FCAB in-vitro O=C([C@@H]1CCCO1)N1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1 32679033 QXOJGOUURDEDMG-NSHDSACASA-N 361.229 0.831 0 40 FCAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 40025559 AGMUPSDQXLUJJF-HWKANZROSA-N 352.412 0.969 0 40 FCAB C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)NC(N)=O)C1=O 42178505 CPTYEHQKZUZSCP-ZDUSSCGKSA-N 358.276 0.667 0 40 FCAB CS(=O)(=O)N1C[C@@H](C(=O)NCCCN2CCCC2)Oc2ccccc21 44913518 HJMJQBLHDAIHPY-INIZCTEOSA-N 367.471 0.816 0 40 FCAB O=C(NCc1ccc(-n2cncn2)nc1)[C@@H]1CCCN(c2cnccn2)C1 48326172 VOLOYYIPGMNNOL-OAHLLOKOSA-N 364.413 0.985 0 40 FCAB CCN1C(=O)C[C@H](Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)C1=O 55145553 JHBGHPHDONLIPY-ZDUSSCGKSA-N 361.398 0.912 0 40 FCAB COc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCCC2)ccc1C 58217873 TXSNZFSKSIGOSU-LSDHHAIUSA-N 352.456 0.995 0 40 FCAB COCCNC(=O)c1cc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 72328310 RBIYURPKNUYZSG-UHFFFAOYSA-N 368.393 0.675 0 40 FCAB COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2c1c(=O)n(C)c(=O)n2C 100417937 LAFVQHDPCXQYIG-SECBINFHSA-N 358.354 0.157 0 40 FCAB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]([C@@H](C)O)N[C@@]21C(=O)Nc2ccccc21 103087987 DOMSBGXMTOVLON-SGMPLLJNSA-N 357.410 0.588 0 40 FCAB Cn1c(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)nc2ccccc21 257240089 HRZNKGHPWSXRIH-NVXWUHKLSA-N 351.410 0.943 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3cc[nH]n3)n2)C1 257240140 HSELITYJWKZXPT-LBPRGKRZSA-N 350.448 0.928 0 40 FCAB NS(=O)(=O)CCN1CCN(C(=O)c2cccc([C@H]3CCOC3)c2)CC1 270539618 JMYLAQZICJEFFJ-INIZCTEOSA-N 367.471 0.237 0 40 FCAB COCCNC(=O)c1cn2c(n1)[C@H](C)N(c1cc(C)nc3ncnn13)CC2 306126534 DYNXAEVQBCQAJO-LBPRGKRZSA-N 370.417 0.587 0 40 FCAB CNC(=O)CC[C@@]1(O)CCCN(CC(=O)NCc2cccc(F)c2)C1 585279827 ZJQKIOWOOXRZTP-SFHVURJKSA-N 351.422 0.795 0 40 FCAB Cn1c(O)nc(N2CCN(c3ccc(Br)cn3)CC2)cc1=O 1120804792 SKPUEBVTXOXISG-UHFFFAOYSA-N 366.219 0.970 0 40 FCAB O=C(NC[C@]1(O)CN(Cc2ccc(F)cc2F)C[C@H]1O)c1cc[nH]n1 1848354319 JQVXXQRPEYUFKQ-ZBFHGGJFSA-N 352.341 0.026 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCOCC1 806161 PYSNKAVBBGNBAK-UHFFFAOYSA-N 354.428 0.488 0 40 FCAB O=C(NCc1ccncc1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 5339653 LWHXPBUMUGYDRN-UHFFFAOYSA-N 374.422 0.876 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCO)c(Cl)c1 6358347 WZZHWVWFONFGMY-UHFFFAOYSA-N 350.824 0.514 0 40 FCAB CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 7780164 KTORAKFXMPNCRZ-AWEZNQCLSA-N 361.398 0.467 0 40 FCAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(-n2cnnn2)c1 8232629 MEWJJAGRTUQPQX-UHFFFAOYSA-N 369.385 0.856 0 40 FCAB Cc1cc(C)c2c(NC(=O)C(=O)NCCCN3CCCC3=O)n[nH]c2n1 9421226 VYCUYRWEUYEZKD-UHFFFAOYSA-N 358.402 0.642 0 40 FCAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 9425851 SMCSYGSHRDGSMS-NRTGNBEESA-N 371.345 0.952 0 40 FCAB NC(=O)[C@@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1 10310123 XPNGNVKUSKGUTG-INIZCTEOSA-N 356.334 0.915 0 40 FCAB COc1ccccc1CNC(=O)Cn1nc(C(=O)N2CCOCC2)cc1C 11927596 VCTMWSBTKWWFII-UHFFFAOYSA-N 372.425 0.989 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1CCC(N)=O 12778379 XREHRRJNPJLBCI-MRVPVSSYSA-N 366.403 0.350 0 40 FCAB COC(=O)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 16680361 LEYQNLIFOSGSJH-UHFFFAOYSA-N 370.427 0.309 0 40 FCAB Cc1cc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)no1 25137031 CEUBLGMSAQQXHC-JTQLQIEISA-N 356.404 0.913 0 40 FCAB CCS(=O)(=O)N1CCC(NS(=O)(=O)N2CCCCCC2)CC1 32771470 KFIZLONCTUCHMJ-UHFFFAOYSA-N 353.510 0.511 0 40 FCAB O=C(CN1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1)NC1CC1 35278890 GSIJCJAVVAZZKG-UHFFFAOYSA-N 357.454 0.977 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCCCCC2)C1 38755559 GXIGVIBYTREGMK-MRXNPFEDSA-N 374.551 0.887 0 40 FCAB COc1ccc(N2C(=O)[C@H](CCSC)NC2=S)cc1OCC(N)=O 55179014 VXQCBHQPWIJPQV-JTQLQIEISA-N 369.468 0.902 0 40 FCAB CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)CC1 95480137 HCARBEKWFPADIN-ZDUSSCGKSA-N 355.398 0.607 0 40 FCAB Cc1cccc(CO[C@H]2CO[C@@]3(CCN(S(=O)(=O)N(C)C)C3)C2)n1 96107797 ZDOLBGYIFOLFAX-CVEARBPZSA-N 355.460 0.946 0 40 FCAB O=C(NC[C@H]1CCCO1)C1=NO[C@]2(CCN(C(=O)c3cscn3)C2)C1 96225623 DPTZUCYHUXXPJY-BDJLRTHQSA-N 364.427 0.799 0 40 FCAB CC(=O)N1CCN(c2c(NCC3(N(C)C)CCCCC3)c(=O)c2=O)CC1 101442247 ACOMRFOIESKYCL-UHFFFAOYSA-N 362.474 0.628 0 40 FCAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)N2N1 101772259 KBRRQZLNWMMCRK-LLVKDONJSA-N 357.370 0.712 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)c1 108530586 QLSCROGBTXHYIH-GFCCVEGCSA-N 356.448 0.123 0 40 FCAB Cc1nn(C)cc1CCC(=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257213581 CIEVXWKKGFMUMY-IRXDYDNUSA-N 350.463 0.345 0 40 FCAB CC(=O)N1CCn2c(C(=O)N3CCN(C)CC3)nnc2[C@H]1c1ccccc1 306143146 XUMXLEIDDXJVGF-MRXNPFEDSA-N 368.441 0.617 0 40 FCAB Cc1ncc(CN2CCC[C@@]3(C2)CN(CCS(C)(=O)=O)C3=O)s1 585099306 CLIRLBKURIFLST-OAHLLOKOSA-N 357.501 0.921 0 40 FCAB CNC(=O)C[C@]1(COC)CN(C(=O)c2ccc(OC)c(F)c2)CCO1 585276473 ANOFFZGEWASKMB-QGZVFWFLSA-N 354.378 0.828 0 40 FCAB CC(=O)N1CCOC[C@@](O)(CC(=O)NCCCn2nc(C)cc2C)C1 585281101 SYKHXHNPNIACJT-QGZVFWFLSA-N 352.435 0.006 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3coc4cc(F)ccc34)C2)C1 685942522 OGFYEXQMDMPKOC-SNVBAGLBSA-N 359.357 0.991 0 40 FCAB CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2cccs2)CC1 823724792 PEFQMABPDIXDOL-UHFFFAOYSA-N 367.518 0.545 0 40 FCAB CO[C@H]1[C@H](CNC(=O)CCn2ncc3c2CCCC3)COC[C@H]1OC 1615130666 RXTDIZNWRRUUQO-KYJSFNMBSA-N 351.447 0.945 0 40 FCAB Cn1nc2c(c1CN1CCO[C@H](C(=O)N3CCSCC3)C1)CCC2 2298187899 NWYIASHUFAUCQJ-INIZCTEOSA-N 350.488 0.685 0 40 FCAB COc1ccc(C2=NNc3nc4c(c(=O)n(C)c(=O)n4C)n3C2)cc1OC 4171681 ZWDDSPCKEJVPDM-UHFFFAOYSA-N 370.369 0.281 0 40 FCAB C/C=C/c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)c(OC)c1 4950143 UCNVJNROIFMPMC-OAMOXNPNSA-N 367.398 0.051 0 40 FCAB COCCNC(=O)CSc1nnc(-c2ccncc2)n1CCOC 8105381 XTMLBOUJSQHGRF-UHFFFAOYSA-N 351.432 0.841 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC[C@H](C(N)=O)C2)c1 8339292 HIXAXNDUSBKIOS-AWEZNQCLSA-N 367.471 0.696 0 40 FCAB Cc1ccccc1CCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 9156674 VUVSXXFEHDDCOO-UHFFFAOYSA-N 369.425 0.491 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)NCCCCc2ccccc2)n(C)c1=O 12547243 WDADNRUKWPITHQ-UHFFFAOYSA-N 369.425 0.573 0 40 FCAB NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 13059495 RWCQAJHVJPAKHQ-UHFFFAOYSA-N 356.381 0.833 0 40 FCAB O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc2c(c1)OCO2 13957684 GVVHFOZFMBCVME-ZDUSSCGKSA-N 360.366 0.886 0 40 FCAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2NC2CC2)cc1C 15885408 WVQBBERDRJBLPK-HIFRSBDPSA-N 359.469 0.695 0 40 FCAB CCOC(=O)c1ccc(OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 24469388 NWJKVERYLOSGBQ-INIZCTEOSA-N 355.412 0.936 0 40 FCAB CCS(=O)(=O)NCCNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 31224289 FNYYLVZCQJGOLV-AWEZNQCLSA-N 367.471 0.712 0 40 FCAB CC(C)CNC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1 32094456 FKHHZELKNQRATA-CQSZACIVSA-N 353.444 0.338 0 40 FCAB COc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NC(=O)NC1CC1 32718895 PHGBEGFLMWTHFI-UHFFFAOYSA-N 370.431 0.346 0 40 FCAB COC(=O)[C@@H]1CC(=O)N(c2cccc(N3C[C@H](C(=O)OC)CC3=O)c2)C1 45953644 ROFAKUKPJSFSPU-VXGBXAGGSA-N 360.366 0.738 0 40 FCAB Nc1cc(=O)[nH]c(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 54363705 XBXCQVVVXGFZSE-UHFFFAOYSA-N 369.428 0.120 0 40 FCAB C[C@@H](c1nc(=O)c2ccccc2[nH]1)N1CCC(NS(C)(=O)=O)CC1 57373660 CVJWMGIXHIPGGR-NSHDSACASA-N 350.444 0.998 0 40 FCAB Cc1cc(C)n(C(=O)c2cn(C)nc2S(=O)(=O)N2CCSCC2)n1 57478110 JLGMDTCGUZILJV-UHFFFAOYSA-N 369.472 0.659 0 40 FCAB O=C(CCS(=O)(=O)Nc1ccccc1)NCCCN1CCOCC1 58158156 KZIOOZMBRYMUAG-UHFFFAOYSA-N 355.460 0.657 0 40 FCAB CCN(C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1)S(C)(=O)=O 66855041 UFVRSXIYTCMNLG-UHFFFAOYSA-N 351.432 0.844 0 40 FCAB CCC(=O)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 72352105 JVPCVBVIAQKGMF-UHFFFAOYSA-N 361.446 0.618 0 40 FCAB COCCOc1ccccc1N1CCN(C(=O)[C@@H]2COCCO2)CC1 79107506 FUAWPFPCCAOJDQ-KRWDZBQOSA-N 350.415 0.776 0 40 FCAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)CNS(=O)(=O)CC)c1 84726556 SISYMZXCHPPTLO-GFCCVEGCSA-N 355.460 0.770 0 40 FCAB CN(C)C(=O)CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 95999839 WMCHLFAQPCUSMS-HNNXBMFYSA-N 367.471 0.641 0 40 FCAB CN1C[C@H](NC(=O)C2CC2)CCC[C@@H](C(=O)NC2CCOCC2)CC1=O 96113338 HIIVQVXWNYAUSD-GDBMZVCRSA-N 365.474 0.825 0 40 FCAB biogenic,in-vitro CN(C)CCNC(=O)[C@@H]1C[C@@]2(CO1)CN(C(=O)N(C)C)c1ccccc12 96262888 XMZUCVLCUGVFBG-LPHOPBHVSA-N 360.458 0.893 0 40 FCAB Cc1nn(C)cc1CCC(=O)N(C)C[C@]1(O)CCN(c2ncccn2)C1 257257655 KQOVFSPGKHDRHG-GOSISDBHSA-N 358.446 0.551 0 40 FCAB O=C(NCCc1ccccc1)C(=O)NCC1CCN([C@H]2CCOC2)CC1 575616011 LMGQXJJTIXUYFX-SFHVURJKSA-N 359.470 0.962 0 40 FCAB CN(C)S(=O)(=O)c1ccc(N2CCC[C@@H](F)C2)c(S(N)(=O)=O)c1 575845297 DJWFJDAFEXMIFQ-SNVBAGLBSA-N 365.452 0.523 0 40 FCAB Cc1ncc(CNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)c(N)n1 577757069 JUGYMHJSPLXNPJ-HOTGVXAUSA-N 355.398 0.582 0 40 FCAB O=S(=O)(N1CCOCC1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 585149250 BCKZPLGSESYDOL-CABCVRRESA-N 364.427 0.830 0 40 FCAB Cc1nccnc1N1CCN(C(=O)[C@H](C)n2cnc3c(N)ncnc32)CC1 614449511 SQJGOSZSMQVPPV-LBPRGKRZSA-N 367.417 0.417 0 40 FCAB CO[C@H]1CN(C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)[C@](C)(CO)C1 634064530 SBCJUKGYEKMSMZ-ZMZPIMSZSA-N 356.382 0.788 0 40 FCAB CC(C)CCN(Cc1cccc(F)c1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 643913431 XBXOPQPWZNJPMZ-UURKPOQGSA-N 371.449 0.516 0 40 FCAB Cc1nc([C@@H]2CN(S(=O)(=O)c3c(C)cnn3C)C[C@H]2C2CC2)n[nH]1 685941060 PHPDGYZJCYSLRN-QWHCGFSZSA-N 350.448 0.969 0 40 FCAB COc1cc(CCNC(=O)c2nn(C)cc2CN2CC[C@@H](N)C2)ccn1 685941578 DGNDTKHPLHZYFC-OAHLLOKOSA-N 358.446 0.329 0 40 FCAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)NC[C@@H]1CCCO1 1547200912 NVVJFLGWNCLCKW-ZDUSSCGKSA-N 357.370 0.328 0 40 FCAB CC(C)N(C)CC(=O)N1CC[C@H]2C[C@@H](C(=O)Nc3cnccn3)O[C@@H]2C1 1565545882 ROCDDMUBOPZIBG-SOUVJXGZSA-N 361.446 0.761 0 40 FCAB COc1cnc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)CCO3)C2)nc1 1565551492 OKPLAWKVHHINRM-UHFFFAOYSA-N 364.402 0.947 0 40 FCAB Cc1nc(C(=O)N2CCN(C(=O)N(C)C)C[C@@]3(CNC(=O)C3)C2)cs1 1565553928 MUPVAEVXNXBTDC-INIZCTEOSA-N 365.459 0.397 0 40 FCAB C[C@H]1CNC(=O)[C@@]2(CC=CCOc3ccccc3C(=O)N1)CNCCO2 1772770516 DAZAPXCMOKHQKR-IFXJQAMLSA-N 359.426 0.618 0 40 FCAB Cc1nc(N2C[C@@H]3CN(c4ncnc5[nH]cnc45)C[C@H]3C2)nc(O)c1F 1888919425 IMRWNMFWRXBRIR-UWVGGRQHSA-N 356.365 0.869 0 40 FCAB CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COC(C)C 4317892 AMQGLNVFMVHCBH-LBPRGKRZSA-N 367.450 0.811 0 40 FCAB CNC(=S)N(CCOC)Cc1cc2cc3c(cc2n2nnnc12)OCO3 4898754 HRYFGACERXMORN-UHFFFAOYSA-N 374.426 0.959 0 40 FCAB NC(=O)c1ccc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 16122288 OHVHYUPHHHBCCF-UHFFFAOYSA-N 361.423 0.780 0 40 FCAB O=C(O)[C@](O)(C(=O)c1ccccc1)[C@](O)(C(=O)O)C(=O)c1ccccc1 21298267 OCQAXYHNMWVLRH-QZTJIDSGSA-N 358.302 0.384 0 40 FCAB COc1ccc(CN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1F 25199166 OOYWYVHTZHGXKT-UHFFFAOYSA-N 360.389 0.886 0 40 FCAB O=C1CN(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C(=O)N1 30687265 ADVWXTOAICGXGE-UHFFFAOYSA-N 366.399 0.104 0 40 FCAB C[C@]1(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CCS(=O)(=O)C1 39978485 CGEWTPYKQUQGJY-HNNXBMFYSA-N 372.468 0.316 0 40 FCAB CNC(=O)CN(C)c1cnn(-c2ccc(C(=O)OC)cc2)c(=O)c1Cl 40049850 KECWMSHBFGBSIW-UHFFFAOYSA-N 364.789 0.855 0 40 FCAB O=C(Cc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1)NCC(F)(F)F 44035396 VFEUGWCSASXACG-UHFFFAOYSA-N 371.315 0.995 0 40 FCAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 65565438 VFMBPNLYFRGHHS-TUVASFSCSA-N 359.492 0.457 0 40 FCAB Cc1[nH]c2nc(CC(=O)NCCN(C)C3CCCCC3)nn2c(=O)c1C 72391475 HPZZTMPRDHSIOW-UHFFFAOYSA-N 360.462 0.958 0 40 FCAB Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCN(c3ncccn3)CC1)CS2 90609586 LZRYYCQWMKSFTL-ZDUSSCGKSA-N 372.454 0.412 0 40 FCAB COCC(=O)NCc1cc(=O)n2c(n1)CN(Cc1ccc(C)o1)CCC2 96059641 STPMWSDKVAPRIN-UHFFFAOYSA-N 360.414 0.813 0 40 FCAB O=C(NCCc1cc[nH]c1)c1nnsc1NC(=O)N1CCOCC1 96319528 GFORTGSIGLZRNI-UHFFFAOYSA-N 350.404 0.703 0 40 FCAB CC1=NN(c2ccc(F)cc2)C(=O)[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 101901864 XCQJWLDFLCEWMB-WCQYABFASA-N 353.375 0.468 0 40 FCAB CN1C[C@H](C(=O)O)CN2CCN(C(=O)c3ccc4[nH]ccc4c3)C[C@H]2C1 248165645 ZOGJLSPFHMPGFU-JKSUJKDBSA-N 356.426 0.941 0 40 FCAB O=S(=O)(NCC[C@H]1CN(c2ncccn2)Cc2ccnn2C1)C1CC1 306124301 BMFSQUUTMDLWTR-ZDUSSCGKSA-N 362.459 0.781 0 40 FCAB CN1C[C@@H](C(=O)NCc2ccco2)OC2(CCN(C(=O)C3CC3)CC2)C1 306131485 KGBZTGOCBXAHBS-INIZCTEOSA-N 361.442 0.998 0 40 FCAB CN1C[C@@H](C(=O)N(C)Cc2ccccn2)O[C@]2(CCN(C(=O)C3CC3)C2)C1 306143980 YSOBMBOSQNWYSW-FXAWDEMLSA-N 372.469 0.752 0 40 FCAB O=C(O)[C@H](CNS(=O)(=O)c1cnc2n1CCC2)Cc1ccccn1 564843509 XURVOLBZHBCLOC-NSHDSACASA-N 350.400 0.446 0 40 FCAB C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)c1cn(C)cn1 585097364 JOERSQYNLHXYPK-CYBMUJFWSA-N 354.414 0.775 0 40 FCAB CCOCCOc1ccc(CN2C[C@H](O)[C@H](N3CCN(C)CC3)C2)cc1 585269630 DMAIRSBFSQVHDV-UXHICEINSA-N 363.502 0.894 0 40 FCAB COCC(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3F)C2)C1 604381934 VVKYHDJHIXOZIF-MRXNPFEDSA-N 363.433 0.570 0 40 FCAB biogenic,in-vitro CN1CCS(=O)(=O)C[C@H]1CC(=O)N1CC=C(c2ccnn2C)CC1 644462602 MHKXYFKSPYOGFF-CQSZACIVSA-N 352.460 0.155 0 40 FCAB CO[C@](C)(C(=O)O)C(=O)N1CCN(c2ncnc3sccc23)CC1 663029102 GUFSUVYBEFJPGF-HNNXBMFYSA-N 350.400 0.830 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(Cc3ccnn3-c3ccccc3)C2)C1 685941611 ZPBNQQQHVYGKHP-CQSZACIVSA-N 353.426 0.651 0 40 FCAB O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC[C@H](c2nc(O)n[nH]2)C1 1564622123 ZPZVFVFMTVHXAT-LURJTMIESA-N 360.300 0.736 0 40 FCAB O=C1CO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1cncnc1 1565545465 GOUAROUPWZRVBO-MRXNPFEDSA-N 364.377 0.330 0 40 FCAB COCCNC(=O)[C@]12C[C@H]1CCN2S(=O)(=O)c1ccc2c(c1)CCO2 2056224929 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CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc2c(c1)CCC2 7988930 VHDPHBBRPPFJIJ-INIZCTEOSA-N 364.467 0.941 0 40 FCAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)cc1 8158291 WOGHRCLWQXRNRJ-UHFFFAOYSA-N 363.395 0.711 0 40 FCAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 9388863 FVBGJYUUWBZXLN-LBPRGKRZSA-N 369.418 0.937 0 40 FCAB O=C(NCc1ccc(F)cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 9549073 KLOFCUJGKOIBKT-ZDUSSCGKSA-N 367.402 0.607 0 40 FCAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCOCC3)c(=O)n12 12181592 PCEQSNHLUFLXPW-UHFFFAOYSA-N 356.382 0.825 0 40 FCAB O=C(CN1C(=O)COc2ccc(Cl)cc21)NCCN1CCOCC1 15019494 BBDYWMRLYDXRTM-UHFFFAOYSA-N 353.806 0.514 0 40 FCAB Cn1c(=O)cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)[nH]c1=O 19714461 WCUQHDSJIOTHCC-UHFFFAOYSA-N 364.789 0.816 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC(N3CCN(CCO)CC3)CC2)cc1 19888968 YIKYNFWVMTXACM-UHFFFAOYSA-N 367.515 0.758 0 40 FCAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCc1cccnc1 31818483 VHGNBQZFOMWYFB-HNNXBMFYSA-N 352.394 0.867 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 32768560 DMBBRWDHDMCAHK-LLVKDONJSA-N 360.457 0.747 0 40 FCAB CC(C)NC(=O)CN(C)CC(=O)NCc1ccc(N2CCCC2=O)cc1 32820799 XZSVQNPRNDLZAV-UHFFFAOYSA-N 360.458 0.886 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)NCCCN2CCOCC2)s1 36435383 WCJRAVZYSIJAIV-UHFFFAOYSA-N 361.489 0.385 0 40 FCAB CNC(=O)NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1 36646130 LJHFEJWRYUYLBD-UHFFFAOYSA-N 357.399 0.817 0 40 FCAB CCOC(=O)c1nc(CN2CCN(S(=O)(=O)N(C)C)CC2)cs1 40153939 ITUDDINCVCWBSS-UHFFFAOYSA-N 362.477 0.244 0 40 FCAB CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382430 IAJHRILCVSELDE-KGLIPLIRSA-N 374.393 0.753 0 40 FCAB COC(=O)C[C@@H](NS(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OC 42632091 FFUBBVZWRKZFFB-CQSZACIVSA-N 353.396 0.998 0 40 FCAB CCOC(=O)c1ccc(NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc1 52075987 VUYIWBAYFBSMOU-GFCCVEGCSA-N 355.416 0.364 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CCC(Cn3cccn3)CC2)CC1 62017794 HTOHGRXDFCSRBN-UHFFFAOYSA-N 354.476 0.793 0 40 FCAB CC[C@H](C(=O)NCCOC)n1nc2c(-c3nc(C)no3)cccn2c1=O 75166030 XBQFDOMGDAILMW-GFCCVEGCSA-N 360.374 0.568 0 40 FCAB COC(=O)c1cccc(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)n1 89591802 WRQYFVDXYYPRBY-GFCCVEGCSA-N 357.370 0.445 0 40 FCAB CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN(c3ccc4nnnn4n3)C2)CCO1 95474910 XJRFCQROCVMSNF-OLZOCXBDSA-N 359.434 0.810 0 40 FCAB O=C1CCC[C@H]1[C@@H]1COCCN1CC(=O)N1CCC2(CC1)OCCO2 95945695 WHRHWGMFGOBJDF-GJZGRUSLSA-N 352.431 0.422 0 40 FCAB CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 95985778 ZBAKHVDZQVOSSA-QWHCGFSZSA-N 364.450 0.636 0 40 FCAB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@@H](SCCO)C2=O)c1 101312602 FBEHAAAOKGPPTR-GFCCVEGCSA-N 367.379 0.617 0 40 FCAB COC(=O)c1ccc(-n2nnn([C@@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)cc1 103005424 ADFLCQGWUFAUMK-QKCSRTOESA-N 362.367 0.840 0 40 FCAB Cc1nnsc1C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225601931 IADISGKLNIGIKK-UHFFFAOYSA-N 360.443 0.978 0 40 FCAB COC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3c(c1)OCO3)C2 247877736 OUCVBVXGRHUKPY-GFCCVEGCSA-N 353.396 0.691 0 40 FCAB CCS(=O)(=O)CCN1Cc2cncn2[C@@H](CNC(=O)CC2CC2)C1 253489532 FNORZEGKOGSMTB-HNNXBMFYSA-N 354.476 0.591 0 40 FCAB CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)Cn1cc(Cl)cn1 257214271 CLIWDGRMPLHWDO-HNNXBMFYSA-N 350.810 0.426 0 40 FCAB C[C@@]12C[C@H]3CN(C(=O)CN4CCCCS4(=O)=O)[C@@H]1CCCC[C@@H]2N3 257249517 JISHVRHIGWUNQE-MPTYRVRUSA-N 355.504 0.934 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CCN1C(C)=O 257270579 MUURHACGAIKFKW-MRXNPFEDSA-N 360.389 0.736 0 40 FCAB Cn1ccc(CC(=O)N2C[C@H]3C(=O)N(Cc4cccnc4)CC[C@H]3C2)n1 585107824 GHOXXIFGYMWIPF-DOTOQJQBSA-N 353.426 0.865 0 40 FCAB CNC(=O)C[C@@]1(OC)COCCN(C(=O)c2cccc(COC)c2)C1 585281545 ZCENNNXBJWQOOG-SFHVURJKSA-N 350.415 0.827 0 40 FCAB Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(F)cn3)CC2)n1 1888843333 MAIVUFHSLLJWJQ-UHFFFAOYSA-N 359.409 0.877 0 40 FCAB COC1(CNC(=O)c2ccc3c(c2)OCO3)CCN(S(C)(=O)=O)CC1 1889201429 FZUCQDFQIBQHEJ-UHFFFAOYSA-N 370.427 0.586 0 40 FCAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3noc(C)n3)CC2)n1 2087128276 XFOFINNWKKNUBA-UHFFFAOYSA-N 359.434 0.635 0 40 FCAB Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCSCC3)C2)cnn1C 2732392 SLJBCZKMNFUDTJ-CYBMUJFWSA-N 372.516 0.705 0 40 FCAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCOCC3)n2)c1 5409536 PZSMEXDEAPVWII-UHFFFAOYSA-N 359.382 0.786 0 40 FCAB CON(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)NC(C)(C)C)cc1 6986304 SJSQEKSVFVABLR-UHFFFAOYSA-N 357.432 0.513 0 40 FCAB COCCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 10250639 YBWQTXFUIQOHPM-UHFFFAOYSA-N 372.447 0.158 0 40 FCAB O=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1nccs1 12144574 PXNANQPNSRHHFZ-UHFFFAOYSA-N 360.443 0.823 0 40 FCAB Cc1nc2cc([C@@H]3CCCN3C(=O)CN3C(=O)CCC3=O)nn2c(O)c1C 12336999 SHSMFIHZXDXQFB-ZDUSSCGKSA-N 371.397 0.864 0 40 FCAB C[C@@]1(NC(=O)CN2CCN(c3ccccc3F)CC2)CCS(=O)(=O)C1 12593874 ICLSVXPRJKXPOL-QGZVFWFLSA-N 369.462 0.641 0 40 FCAB CS(=O)(=O)NCCC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 40149106 SKEJDUWDTQFERS-UHFFFAOYSA-N 357.407 0.049 0 40 FCAB COc1cccc(Nc2nc(N)nc(CN3CCC(C(N)=O)CC3)n2)c1 54244995 VNDZMXRYEPJJAA-UHFFFAOYSA-N 357.418 0.903 0 40 FCAB O=C(NC[C@@H]1CCCO1)[C@H]1Cn2ccnc2C2(CCN(CCF)CC2)O1 96243790 INIQTQCYALCPAU-LSDHHAIUSA-N 366.437 0.838 0 40 FCAB CS(=O)(=O)CC(=O)N1Cc2ccnn2C[C@H](OCc2cccnc2)C1 247490869 BJWDDUQMHZOYHH-OAHLLOKOSA-N 364.427 0.250 0 40 FCAB CN(C)c1cc(N2CCC[C@](O)(CNC(=O)c3cccnn3)C2)ncn1 257342421 ZONOVIFUWOUMHS-KRWDZBQOSA-N 357.418 0.094 0 40 FCAB COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)C2CC2)CC1 269653010 NAMLNOWQBFCGFC-UHFFFAOYSA-N 353.444 0.744 0 40 FCAB CCOCC(=O)N1CC2(C1)[C@@H](COCc1ccccn1)CCS2(=O)=O 306126099 DMXPTTKVHHRNBA-CQSZACIVSA-N 368.455 0.650 0 40 FCAB O=C(CC1(C(=O)O)CCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 432088510 JGHQSXMMEHSTFG-UHFFFAOYSA-N 367.427 0.560 0 40 FCAB COc1ccc2nnc(CNc3ccc4nnc(C(F)(F)F)n4n3)n2n1 575615545 DYHATTDGRXPJAL-UHFFFAOYSA-N 365.279 1.202 0 40 FCAB CN(C)C(=O)COCC[C@H]1CCOC12CCN(S(=O)(=O)C1CC1)CC2 585104720 LOHKQVNEDDSBOA-AWEZNQCLSA-N 374.503 0.845 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3C[C@H](C(=O)NCc4cccnc4)O[C@@H]3C2)n1 585109209 ZYQHYQCSRAIKIO-RRFJBIMHSA-N 370.413 0.146 0 40 FCAB O=C(CN1C(=O)CCc2ccccc21)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685941842 JJWRHBQNUQPHGF-GOEBONIOSA-N 356.382 0.652 0 40 FCAB NC(=O)c1ncccc1C(=O)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1565553575 DXZXOJXFTBIRMZ-GOEBONIOSA-N 351.410 0.922 0 40 FCAB CCc1ccc(C(=O)N2CCN(C(=O)N(C)C)C[C@@]3(CNC(=O)C3)C2)cn1 1565553936 NAIWCTIPZZEKDE-IBGZPJMESA-N 373.457 0.590 0 40 FCAB CCCc1ccc(C(=O)NC[C@@]2(c3nccn3C)NC(=O)NC2=O)cc1 1616035183 NYOJTQXYBZTSCD-SFHVURJKSA-N 355.398 0.837 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cc[nH]n5)C[C@H]4C3)nn12 1888904415 WSFVISQFLBNCIQ-TXEJJXNPSA-N 352.402 0.618 0 40 FCAB Cn1cnc(C(=O)N2CCO[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)c1 2037984808 OKIQDGHGWCWZKA-IBGZPJMESA-N 370.409 0.695 0 40 FCAB Cn1c(=O)c2c(nc(Br)n2CCN2CCCCC2)n(C)c1=O 4251697 LUQYAXKLNIYHHZ-UHFFFAOYSA-N 370.251 0.682 0 40 FCAB O=S1(=O)C=C(Cl)[C@@H](SC(=S)N[C@@H]2CCS(=O)(=O)C2)C1 5376336 GZDKPXLPDYHNGL-SVRRBLITSA-N 361.919 0.658 0 40 FCAB CCC(C)(C)NC(=O)CN(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8744660 YICIHJGUBJRGCH-UHFFFAOYSA-N 373.457 0.908 0 40 FCAB CCOC(=O)CN1C(=S)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]21 8990543 HKGBSDBFJWQREB-CHWSQXEVSA-N 354.453 0.822 0 40 FCAB CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1c(C)nn(C)c1C 10628983 GCGUHSDXNZFNRN-UHFFFAOYSA-N 364.471 0.945 0 40 FCAB CCCN1C(=O)/C(=C\Nc2ccc(-n3cnnn3)cc2)C(=O)NC1=S 15583605 ZRQAOEWOEDMSJA-WQLSENKSSA-N 357.399 0.611 0 40 FCAB C[C@H](C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1)N1CCOCC1 19078483 IZEPOJOAENDPJT-HZPDHXFCSA-N 373.501 0.891 0 40 FCAB CS(=O)(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 20745112 AFBBFYWQSJTMOZ-JTQLQIEISA-N 359.835 0.358 0 40 FCAB CS(=O)(=O)Nc1cccc(C(=O)Nc2nc(CC(N)=O)cs2)c1 21496326 TWMNQMFRRYXMEU-UHFFFAOYSA-N 354.413 0.795 0 40 FCAB CC(C)NC(=O)CNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 24398601 GLKUHDVKSUOZMC-UHFFFAOYSA-N 361.423 0.989 0 40 FCAB O=C(c1ccccc1CN1C(=O)CNC1=O)N1CCC2(CC1)OCCO2 24997672 SBASEEAPSRHMRO-UHFFFAOYSA-N 359.382 0.718 0 40 FCAB CN(CC(=O)N1CCCC1)C[C@H](O)COCc1ccc2c(c1)OCO2 40013664 XOBCQMOIVHJTRC-HNNXBMFYSA-N 350.415 0.847 0 40 FCAB Cc1csc2nc(CN3CCC[C@H](CNS(C)(=O)=O)C3)cc(=O)n12 58066324 FDTWIZXEMCNTMM-GFCCVEGCSA-N 370.500 0.826 0 40 FCAB CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1 58193491 IZYRVKHCJWEEHX-MRXNPFEDSA-N 373.434 0.908 0 40 FCAB CNC(=O)NC(=O)Cn1nnc(-c2cc(F)ccc2Br)n1 58306928 DXJFJWWWDFSPGV-UHFFFAOYSA-N 357.143 0.697 0 40 FCAB NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(N)nc(Cl)c2)cc1 58331887 AFGOOJJZDJEQRO-UHFFFAOYSA-N 361.789 0.462 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(=O)N(C)C)CCN(S(=O)(=O)C1CC1)C2 96036245 ZRWSKNZQFVZUCV-MRXNPFEDSA-N 372.491 0.016 0 40 FCAB CC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cn23)C1 96267699 ZAVJXUZODFRBSF-ZBFHGGJFSA-N 370.457 0.841 0 40 FCAB COc1ccccc1OCc1cn(CC(=O)NCCC(=O)NC2CC2)nn1 227161503 KABBZHYDDPKEIH-UHFFFAOYSA-N 373.413 0.651 0 40 FCAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3ccsc3)CC[C@@H]2O)CC1 257223210 DWKDEILYAUNPON-HOTGVXAUSA-N 351.472 0.878 0 40 FCAB CNc1nccnc1[C@@H]1CN(S(=O)(=O)c2cn(C)nc2C)CCO1 257308366 TWMBVUZHEFTSJV-NSHDSACASA-N 352.420 0.322 0 40 FCAB CN(C)c1cccc([C@H]2CN(S(=O)(=O)c3cn(C)cn3)CCO2)n1 257310511 UFIXQKIWVSJROF-CYBMUJFWSA-N 351.432 0.643 0 40 FCAB Cc1cc(C2CCN(C(=O)CNS(C)(=O)=O)CC2)nc2ccnn12 257337545 YTGBVYYRXUSEFS-UHFFFAOYSA-N 351.432 0.293 0 40 FCAB Cc1nnc2n1C[C@H](C(=O)Nc1ccc(N3CCCC3=O)cn1)N(C)C2 644395673 VCEIPTKQYPGHGQ-CYBMUJFWSA-N 355.402 0.561 0 40 FCAB CN(C)CCNC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)Cc2ccc(F)cn2)O1 1565548354 BZOWGXCRXXQKPH-OAGGEKHMSA-N 364.421 0.199 0 40 FCAB Cc1noc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccnc2)CCO3)n1 2055750727 UCWLGCXGMBLBIO-SFHVURJKSA-N 371.397 0.459 0 40 FCAB C[C@]1(O)C[C@@](O)(C(=O)c2cc(O)cc(O)c2)c2c(O)cc(O)cc2C1=O 2332243376 NKEWORGBFVYRNX-ROUUACIJSA-N 360.318 0.917 0 40 FCAB OC1Cn2c[n+](c3ccccc32)CC(O)C[n+]2cn(c3ccccc32)C1 1294041 WDTVGQMDNSMBMR-UHFFFAOYSA-N 350.422 0.607 0 40 FCAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@H]1CCS(=O)(=O)C1 12366184 HHYOVBCGCUVLRH-LSDHHAIUSA-N 352.456 0.773 0 40 FCAB COc1cccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)c1 12776361 KKDNZDNZSHFBCX-JSRQGNBESA-N 367.398 0.816 0 40 FCAB CCOC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 36110818 ADZVYIZIEQSGCN-CYBMUJFWSA-N 350.371 0.468 0 40 FCAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCCS(=O)(=O)c1ccccc1 40154854 BTEHBYPEAPOVJK-GFCCVEGCSA-N 350.396 0.988 0 40 FCAB CCOC(=O)C1=C(CN(CCC(N)=O)Cc2ccccc2)NC(=O)NC1 57315392 GSCZDAAYUURSRK-UHFFFAOYSA-N 360.414 0.494 0 40 FCAB C[C@@H]1CC[C@@H]2C(=O)N(C)C(=O)[C@@H]2[C@@H]1C(=O)NCc1nnc2n1CCCCC2 58210599 KRFLBJNEKNRBMF-KOZAUXTDSA-N 373.457 0.898 0 40 FCAB Cc1ccc(CN2C[C@H](C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 71852521 KMCJNVZEJUIWQY-JKSUJKDBSA-N 364.467 0.894 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)N3CCc4c(F)ccc(F)c4C3)cnc21 84226064 VYOCRTUYRWPXDW-UHFFFAOYSA-N 359.336 0.993 0 40 FCAB O[C@@](Cn1cnnc1)(Cn1cncn1)c1ccc(-n2cncn2)cc1F 226823360 DPOBQQRESAJPPE-HNNXBMFYSA-N 355.337 0.177 0 40 FCAB COc1cccc(C(=O)N2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)c1 248113980 ADRSLOYKKMAPSO-ZDUSSCGKSA-N 368.455 0.866 0 40 FCAB Cc1noc(C)c1S(=O)(=O)NCc1nc(-c2cccnc2O)no1 253537725 QQIZTWLPGLHVFX-UHFFFAOYSA-N 351.344 0.921 0 40 FCAB Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CNS(C)(=O)=O)C2)on1 253600211 JRKOONACQXOABA-NSHDSACASA-N 353.404 0.001 0 40 FCAB O=C(c1cccnn1)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257222444 DTIKKHMCICYRCG-IRXDYDNUSA-N 352.394 0.771 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2nccnc2-c2ccnn2C)C1 257312556 UOMPZHINEVMYDB-LBPRGKRZSA-N 350.448 0.548 0 40 FCAB Cc1cc(C)n(-c2cc(N3CC(C(=O)NCCn4cncn4)C3)ncn2)n1 575608226 DUVUKPMJKUOORD-UHFFFAOYSA-N 367.417 0.123 0 40 FCAB Cn1nnc2c1[C@H](COCCN1CCCC1)CN(C(=O)C1CC(O)C1)C2 585110799 HZGJPJIJRCNBGJ-SLTAFYQDSA-N 363.462 0.124 0 40 FCAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1c(C)nn(C)c1C 585287701 BNLJRQPPANZXMJ-KDZJKLFMSA-N 351.447 0.657 0 40 FCAB CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1nc(=N)[nH]c(=N)[nH]1 623894381 QYHIONYGIQQSCI-UHFFFAOYSA-N 352.420 0.006 0 40 FCAB Cc1ccccc1CCc1cc(NC(=O)[C@H](N)CCS(C)(=O)=O)n[nH]1 646500385 MMTPWHFOPJECPI-OAHLLOKOSA-N 364.471 1.204 0 40 FCAB CCNC(=O)N1CCc2ccc(NC(=O)Cn3nc(C)n(C)c3=O)cc21 653655858 MDXBZDBSLKDZJO-UHFFFAOYSA-N 358.402 0.621 0 40 FCAB CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)[C@H]1n1cccn1 664971195 QUHQCUQIIGISGW-UXXRCYHCSA-N 370.475 0.867 0 40 FCAB O=C1NC(=O)C2(CCC(NC(=O)c3cccnc3N3CCOCC3)CC2)N1 672309853 XYJJKAMLFWZVAB-UHFFFAOYSA-N 373.413 0.169 0 40 FCAB O=C(N1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1)C1(F)CC1 1565547342 OFUKURQGBUDUET-BBRMVZONSA-N 351.378 0.522 0 40 FCAB Cc1ccc2c(O)cc(C)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 1772820515 ZMEFPRRKVCVENF-QFXBJFAPSA-N 350.367 0.341 0 40 FCAB biogenic CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccnc1 1480262 GEOFHUQNOGYFRP-CYBMUJFWSA-N 356.382 0.874 0 40 FCAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)N(C)C 4853501 FKLWFZUWCWEHRM-UHFFFAOYSA-N 367.383 0.594 0 40 FCAB COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(CCO)C3)cc(OC)c1OC 4854792 GMUHVWKKKWVTQH-AWEZNQCLSA-N 363.370 0.155 0 40 FCAB CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3ccccc3F)N21 4992833 NSYKTDSPBGRDLU-SNVBAGLBSA-N 350.375 0.775 0 40 FCAB CNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCOC 6879259 LVAXWKQOAODIRB-JTQLQIEISA-N 364.427 0.979 0 40 FCAB CC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)CC1 14140416 RCQFRGYGNBTUPT-UHFFFAOYSA-N 353.444 0.678 0 40 FCAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(CCO)CC1 19372125 DSOFPRZGVIUXKH-UHFFFAOYSA-N 360.414 0.503 0 40 FCAB Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 23142116 BLYCMXJZDQVLEC-JTQLQIEISA-N 372.381 0.673 0 40 FCAB O=C(COC(=O)CN1C(=O)CCC1=O)Nc1ccccc1C(=O)NC1CC1 25210968 UPJCXAGJUFIFQR-UHFFFAOYSA-N 373.365 0.210 0 40 FCAB C[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C)C(=O)Nc1ncnc2nc[nH]c12 29683770 UZHZVEOALKVYKH-RKDXNWHRSA-N 362.390 0.774 0 40 FCAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(O)nn2)cc1 32981962 SZKQXSKKWYPDQB-JTQLQIEISA-N 366.399 0.748 0 40 FCAB COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccon2)CC1 56997880 NGTNIPPHQYKPOI-UHFFFAOYSA-N 373.413 0.560 0 40 FCAB CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)CC1 77264187 JEXGHJGKHJLHDO-FMKPAKJESA-N 367.471 0.207 0 40 FCAB biogenic,in-vitro CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cn1c(=O)[nH]c2ccccc21 79612403 RJZKINXXHAPLAS-LBPRGKRZSA-N 366.443 0.260 0 40 FCAB CNC(=O)c1ccc(C(=O)N2CC(S(=O)(=O)Nc3ccccc3)C2)cn1 96005388 XBTWWYWVFXQQGA-UHFFFAOYSA-N 374.422 0.708 0 40 FCAB O=C(c1cccs1)N1CCCn2c(nc(Cn3cncn3)cc2=O)C1 96197600 ILCAHMQITHHZMU-UHFFFAOYSA-N 356.411 0.991 0 40 FCAB O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)N[C@@H]1CCS(=O)(=O)C1 103137968 GMNYAYYAVXEZMQ-NQBHXWOUSA-N 357.428 0.228 0 40 FCAB CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 225958084 YNPDVVFQJPVEKE-ZDUSSCGKSA-N 356.400 0.235 0 40 FCAB Cc1cc([C@@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)nc(C)n1 257277847 NZSZXHJUYYLJFY-INIZCTEOSA-N 354.476 0.891 0 40 FCAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C1=O 409306779 PWNGGEZRFVENDJ-VYGYDYRJSA-N 371.345 0.659 0 40 FCAB Cc1ccn(-c2ccc(N3CCN(c4nccn(C)c4=O)CC3)nn2)n1 467016612 YGNUFTPXWZSWJN-UHFFFAOYSA-N 352.402 0.391 0 40 FCAB CC(=O)N(CC(=O)O)[C@H]1CCCN(C(=O)c2cnn3ccc(C)nc23)CC1 509076527 ZPORIIDFYIFOER-AWEZNQCLSA-N 373.413 0.966 0 40 FCAB COC[C@]1(CNC(=O)N2CCn3ncnc3C2)OCCc2ccccc21 566043059 DYIFQXPBROEEAX-SFHVURJKSA-N 357.414 0.918 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@@H](CCNC(=O)c2cccnc2)C1 585112342 NILISIVQDDYXMX-AWEZNQCLSA-N 363.443 0.805 0 40 FCAB CN1CCN(C(=O)CN2CCCC[C@H](O)C2=O)C[C@@H]1Cc1ccccc1 644472579 QIJJLFJGEKCVND-ROUUACIJSA-N 359.470 0.745 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)CCOc2ccccc2)CCO1 681944537 ZZFZCYCIDFBAQY-MRXNPFEDSA-N 364.398 0.616 0 40 FCAB COc1cc2ncnc(N3CCN(S(C)(=O)=O)CC3)c2cc1OC 1252685875 FRRASNRQRDVLJC-UHFFFAOYSA-N 352.416 0.729 0 40 FCAB Cn1cnc(S(=O)(=O)N2C[C@@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c1 1258995668 VMLIHQMMIFLIGQ-BETUJISGSA-N 366.468 0.874 0 40 FCAB CNC(=O)[C@@]12CCOC[C@H]1CN(C(=O)c1cnc3cc(C)nn3c1C)C2 1551406867 DYVUJKVZRQOZAL-FZKQIMNGSA-N 357.414 0.571 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)NC[C@@]1(OCCO)CCSC1 1565519332 DYEINTRAPGHXCA-AWEZNQCLSA-N 365.448 0.997 0 40 FCAB O=C(CCc1cncnc1)N1CCC[C@]2(C1)CN(CCN1CCCC1)C2=O 1565549493 XYKSMRASTMZSBP-FQEVSTJZSA-N 371.485 0.956 0 40 FCAB COCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713350 DDGPVYMHWPHMDZ-CYBMUJFWSA-N 350.419 0.071 0 40 FCAB COc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cn1 5931386 WLHDMWKSRSGJAG-NSHDSACASA-N 366.399 0.194 0 40 FCAB CC(=O)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 6528474 DAODYFWDHGYPOP-UHFFFAOYSA-N 355.416 0.172 0 40 FCAB CCN(CC)C(=O)Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C 7777256 SJYOJGGXCRPDEU-UHFFFAOYSA-N 358.464 0.389 0 40 FCAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(OC)nc2)CC1 8513698 JLUMPXSSILZMOI-UHFFFAOYSA-N 351.359 0.548 0 40 FCAB Cn1c(=O)c2c(ncn2CCC(=O)NCCc2cccs2)n(C)c1=O 9154968 JNRHRVDJKLLRDO-UHFFFAOYSA-N 361.427 0.244 0 40 FCAB CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 10131027 ZAMXKCAFDQSCPA-UHFFFAOYSA-N 358.464 0.466 0 40 FCAB Cc1ccc(N([C@@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1 13632241 DUFSLQPHKRMNJH-AWEZNQCLSA-N 353.444 0.450 0 40 FCAB Cn1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cn1 14126001 UOPPKXIREISQNO-UHFFFAOYSA-N 370.456 0.433 0 40 FCAB Cc1nnc(C)n1-n1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O 20639023 VGKPFSCCTVACQZ-UHFFFAOYSA-N 350.264 0.978 0 40 FCAB C[C@H](OC(=O)CCn1cnc2sccc2c1=O)C(=O)N1CCNC1=O 21833070 HGMUNWZPTZFBBU-VIFPVBQESA-N 364.383 0.332 0 40 FCAB O=C(CN1CCN(Cc2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 22918380 DKVCGZKWSRHEFU-INIZCTEOSA-N 351.472 0.108 0 40 FCAB COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3C)N2C)cc1 35442421 FSUAJYDIWQXNGZ-WDYCEAGBSA-N 374.485 0.595 0 40 FCAB biogenic,in-vitro O=C(Cn1cc(Br)ccc1=O)NCCNc1cnccn1 47529027 NZYNBDKQKGXLQA-UHFFFAOYSA-N 352.192 0.629 0 40 FCAB CC(=O)N(CCCNC(=O)CCn1nnc2ccccc2c1=O)C(C)C 48317054 QKJUDZCRSWBSPU-UHFFFAOYSA-N 359.430 0.945 0 40 FCAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](CN)C2)c1 50246842 XHQUJURMSTZCEJ-SECBINFHSA-N 352.865 0.713 0 40 FCAB Cn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1-c1ccco1 85471363 WBGMIEQVECZIQX-UHFFFAOYSA-N 366.443 0.968 0 40 FCAB O=C(CCc1ccccc1)NC1CCN(CC(=O)N2CCNC2=O)CC1 89830663 XIXOFAYKLLOMNV-UHFFFAOYSA-N 358.442 0.752 0 40 FCAB 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CC(=O)N1CCC(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 8733873 FKJAFAFYXUXFRE-UHFFFAOYSA-N 350.419 0.777 0 40 FCAB CCOc1ccc(N2CCn3c2nn(CC(=O)NC(C)C)c(=O)c3=O)cc1 8849530 HAHQZZIJQFMZEE-UHFFFAOYSA-N 373.413 0.480 0 40 FCAB CCn1cc([C@H]2C[C@@H](C(=O)N3CCCC3)N(C)S(=O)(=O)N2)c(C)n1 12130654 RZGWMDFEBWBYCZ-KGLIPLIRSA-N 355.464 0.413 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CCC(=O)Nc2ccccc2O)CC1 20734725 XMMJLJXEKATAMB-UHFFFAOYSA-N 355.416 0.215 0 40 FCAB Cn1ncc2c(=O)n(CCC(=O)Nc3cccnc3-n3cccn3)cnc21 25011755 PLAWZPMAFDWBQT-UHFFFAOYSA-N 364.369 0.740 0 40 FCAB O=C(CN1CCN(C[C@@H](O)COCc2ccccc2F)CC1)NC1CC1 25300775 NQAMTEMIWCKOCS-QGZVFWFLSA-N 365.449 0.599 0 40 FCAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc[nH]c3=O)CC2)nc1 32827914 QPOWUMASFOPZOF-UHFFFAOYSA-N 356.382 0.909 0 40 FCAB C[C@H](OC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)Nc1ncnc2nc[nH]c12 32905748 UZHZVEOALKVYKH-BDAKNGLRSA-N 362.390 0.774 0 40 FCAB CC(=O)c1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)s1 52553585 WRVOEPBQJMCDER-LBPRGKRZSA-N 356.469 0.896 0 40 FCAB 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BQADRBHCYFYDSE-UHFFFAOYSA-N 374.441 0.082 0 40 FCAB CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H]1COc2c1ccc(C)c2C 660562632 GFKTXAIUNWLQDO-MELADBBJSA-N 354.428 0.848 0 40 FCAB CCN1CCN(C(=O)NC[C@@H](OCCO)c2cccs2)C(=O)C1=O 828765299 CKRSZQPRSJVOSF-LLVKDONJSA-N 355.416 0.198 0 40 FCAB Cc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)CCS(C)(=O)=O)C[C@@H]32)o1 1565547010 IXKGKTFUJHNMEN-JHJVBQTASA-N 357.432 0.534 0 40 FCAB Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(C(=O)[C@@H]4CCOC4)C[C@H]3O2)cn1 1614929419 NQBNYFQAYCYLQR-HDEZJCGLSA-N 374.441 0.444 0 40 FCAB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21 1426676 PVOSPNORTQMLLO-UHFFFAOYSA-N 371.418 0.989 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)c2ccc(Cl)cc2O)c(=O)n(C)c1=O 3363810 PRYZIZHWBDVWMS-UHFFFAOYSA-N 367.745 0.065 0 40 FCAB C[C@H](NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(N)=O 4186526 WKHRXLSMDHFXPH-VHSXEESVSA-N 359.423 0.602 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1 4583704 TUZADPBSJYOXAC-UHFFFAOYSA-N 365.386 0.771 0 40 FCAB CCn1ncc(Cl)c1C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O 6490077 TWGHYTJAZCJWAQ-VMAXQDLPSA-N 372.834 0.802 0 40 FCAB COC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 9737621 GRRUOSISWYJYEB-GOSISDBHSA-N 359.382 0.810 0 40 FCAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(F)cc1 9827344 JENCHIMJZQZUJC-UHFFFAOYSA-N 352.391 0.991 0 40 FCAB COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 10434326 JFKIYBZUAZGVFW-UHFFFAOYSA-N 369.443 0.930 0 40 FCAB CCN(C(=O)[C@H](C)Sc1nc(N)cc(N)n1)[C@@H]1CCS(=O)(=O)C1 11391877 HRVGIXFDLJARNH-DTWKUNHWSA-N 359.477 0.157 0 40 FCAB O=C(NC1CCCCC1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O 12529628 NLUHIVDPQQPQPD-OVYGPGRDSA-N 353.463 0.957 0 40 FCAB biogenic,in-vitro O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2C2CC2)CC1 12972013 RXPLTCVCNBYFEQ-UHFFFAOYSA-N 356.386 0.695 0 40 FCAB CCn1ccc(=O)n(CCOc2ccc(S(=O)(=O)N(C)C)cc2)c1=O 13009729 DPCHCNBJWSDLDG-UHFFFAOYSA-N 367.427 0.359 0 40 FCAB C[C@H](C(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1)N1CCOCC1 19077514 FLQFZHFYRRJHBJ-OAHLLOKOSA-N 359.426 0.147 0 40 FCAB CN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)Cc1ccco1 26366746 QEHFSWFLNJKGCR-UHFFFAOYSA-N 369.429 0.737 0 40 FCAB O=C(NCCN1CCN(c2ccccc2)CC1)[C@@H]1CC(=O)N(C2CC2)C1 32827668 LGRCOBVPQFGECF-MRXNPFEDSA-N 356.470 0.936 0 40 FCAB O=C(OCc1cccs1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 32958668 NBFYDLYCTWRXNA-SNVBAGLBSA-N 356.425 0.957 0 40 FCAB Cn1ncc2c(N3CCN(c4ncc(C(N)=O)cc4Cl)CC3)ncnc21 47255779 CMGUCXGFDLQWMB-UHFFFAOYSA-N 372.820 0.837 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 47991507 IYJYNKKDRZYLGN-GHMZBOCLSA-N 358.851 0.650 0 40 FCAB NC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)C2CC2)CC1 48229922 FAPUFBIJJBLBPQ-MRXNPFEDSA-N 358.442 0.783 0 40 FCAB O=C(Cn1cccn1)Nc1ccc(F)c(N2CCS(=O)(=O)CC2)c1 48310216 ZSHZGXSJOCFLQE-UHFFFAOYSA-N 352.391 0.896 0 40 FCAB CN(C)CCOc1ccc(NC(=O)C(=O)NCCC(N)=O)cc1Cl 95461171 QDRNSJGZIXYRNH-UHFFFAOYSA-N 356.810 0.211 0 40 FCAB Cn1ccc(C(=O)N2CC[C@]3(CCC[C@@H](CNS(C)(=O)=O)O3)C2)n1 96209699 TZCNJMNUAYELHZ-SWLSCSKDSA-N 356.448 0.123 0 40 FCAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cc(C)on3)CC2)O1 96263053 SSAQDYRGKOAQRN-ZDUSSCGKSA-N 359.386 0.456 0 40 FCAB O=C(CN1CCN(S(=O)(=O)c2c[nH]cn2)CC1)Nc1ccccc1F 157023856 LPAWEVLRBMECAS-UHFFFAOYSA-N 367.406 0.494 0 40 FCAB COc1ccc(S(=O)(=O)Nc2nc(C)c(CC(=O)O)c(=O)[nH]2)cc1 217395148 PJDVMKDRZYUHMH-UHFFFAOYSA-N 353.356 0.515 0 40 FCAB O=C(O)c1cc(S(=O)(=O)NC[C@@H](O)Cn2ccccc2=O)ccc1F 218480217 UMFWLYQBZJJWNB-SNVBAGLBSA-N 370.358 0.025 0 40 FCAB CCN1C(=O)COc2ccc(S(=O)(=O)NCc3cc(C)nn3C)cc21 227167620 WJZIGEJGKZATNL-UHFFFAOYSA-N 364.427 0.952 0 40 FCAB COc1ccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@H](O)[C@H]2NC(C)=O)cc1 239309223 HIJHNNAKJPQRND-OVYGPGRDSA-N 367.398 0.816 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cnn(C)c2)CCN1CCc1ccccc1 257246032 ISCYGTPKWJYXHI-QGZVFWFLSA-N 355.442 0.535 0 40 FCAB O=c1c(=O)n2c(nn1CC1CC1)CO[C@@]1(CCN(Cc3ccccn3)C1)C2 306138755 SGIQKDJDZTZDEI-LJQANCHMSA-N 369.425 0.385 0 40 FCAB CN(C)C(=O)CN1Cc2c(C(=O)O)ncn2-c2ccccc2S1(=O)=O 306142724 XHMMXQRDWJIBIR-UHFFFAOYSA-N 364.383 0.163 0 40 FCAB CNc1cnc(C(=O)N2CCOC[C@@](O)(COc3ccccc3)C2)nc1 585276713 HOSHHHZZBSYVFM-GOSISDBHSA-N 358.398 0.801 0 40 FCAB Cc1cccc(C[C@]2(CO)CN(CC(=O)Nc3ccn(C)n3)CCO2)c1 585278229 NTIBCDPEJUIDOQ-LJQANCHMSA-N 358.442 0.973 0 40 FCAB Cc1nnc(COC2CN(C(=O)[C@@H]3COCCN3C3CCCC3)C2)o1 644214353 HUBOAYXYVHKUON-HNNXBMFYSA-N 350.419 0.749 0 40 FCAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](O)CCSC)c1 1775967598 XPGZSDVTYNKUIU-LLVKDONJSA-N 363.457 0.874 0 40 FCAB CC1(C)O[C@H]2O[C@@H]3[C@H](CNCCO)O[C@H](c4ccccc4)O[C@@H]3[C@H]2O1 1665887 WNXSLSQRNSYQQJ-QROFKTNTSA-N 351.399 0.928 0 40 FCAB CC(C)[C@H](NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)O 4090204 BJDWTUXTWLWGOI-HOCLYGCPSA-N 373.409 0.991 0 40 FCAB biogenic CN(C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CCC2=O)ccc1Cl 6049313 MAIBNFKJFRWLKC-UHFFFAOYSA-N 373.818 0.678 0 40 FCAB CCOC(=O)CCCNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 6974640 KTNGCYWOKWBMFE-IBGZPJMESA-N 373.409 0.839 0 40 FCAB COc1ccccc1CNC(=O)C[C@H](C(=O)N1CCOCC1)n1ccnc1 9378273 IVKHZIUMHHMPQE-MRXNPFEDSA-N 372.425 0.998 0 40 FCAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1C[C@@H](C)C[C@H](C)C1 10233868 HMXPADBVGRHAJA-STQMWFEESA-N 372.473 0.973 0 40 FCAB Cc1ccc(S(=O)(=O)N(CC(=O)O)[C@@H]2CCS(=O)(=O)C2)cc1C 13029908 KLTNBPSRNCTYEU-GFCCVEGCSA-N 361.441 0.566 0 40 FCAB C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)C2CC2)CC1 14119835 XWTXEQHVQSESFO-CQSZACIVSA-N 358.442 0.955 0 40 FCAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(CC(N)=O)CC3)C2=O)cc1 19371638 UNJWKLDFNMQLGD-MRXNPFEDSA-N 374.441 0.210 0 40 FCAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cccn(CC(=O)N(C)C)c1=O 19750066 GEWZGDAFYWCXBU-GFCCVEGCSA-N 373.457 0.648 0 40 FCAB CCc1noc(CCC(=O)N2CCO[C@@H](C(=O)NC3CCCC3)C2)n1 19750501 GBVXIYWEYQYIIL-CYBMUJFWSA-N 350.419 0.851 0 40 FCAB CN(C)[C@@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccsc1 25331785 BNOUSROEUKQXRP-ZDUSSCGKSA-N 360.443 0.611 0 40 FCAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 32611226 FPVQYMARHFCHDW-CYBMUJFWSA-N 369.443 0.236 0 40 FCAB C[C@@H](C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)n1ccnc1 44870130 VBVJEGBZLJQXTD-WMLDXEAASA-N 370.409 0.955 0 40 FCAB Cc1ccccc1OCCN(C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 45568073 FWRZUHCMCINIHE-OAHLLOKOSA-N 354.472 0.951 0 40 FCAB CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C)C2)cc1 58266328 RYQWUQOHZMTBDN-CYBMUJFWSA-N 353.444 0.535 0 40 FCAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C)C(=O)O)n2)cc1OC 71334771 NDKNYNQZIUNMEX-SNVBAGLBSA-N 361.354 0.517 0 40 FCAB Cc1cc(C(=O)NC[C@@H](C)Cn2ccnc2C)nc2nc(O)[nH]c(=O)c12 72997373 GAOGULBOKBCFOK-SECBINFHSA-N 356.386 0.903 0 40 FCAB O=C(NCc1ccc(F)cc1)N1CCN(CCn2ncccc2=O)CC1 75166214 UOPIQRJRMSZKSM-UHFFFAOYSA-N 359.405 0.910 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)c3ccncc3)C2)O1 96208293 MCCRGVQPRINPSJ-GOEBONIOSA-N 353.444 0.785 0 40 FCAB Cc1ccc(NC[C@@H]2CO[C@@]3(COCCN(S(C)(=O)=O)C3)C2)nn1 96240576 XUGKMXFGOHUGIV-HIFRSBDPSA-N 356.448 0.264 0 40 FCAB CS(=O)(=O)N[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)C[C@H]1O 257241734 HZJWLTXWOUJFAR-HZPDHXFCSA-N 352.456 0.229 0 40 FCAB O=C(N[C@@H]1CN(Cc2c[nH]nc2-c2cccs2)C[C@H]1O)c1c[nH]cn1 257304275 SKWBQENAMVFJLQ-CHWSQXEVSA-N 358.427 0.836 0 40 FCAB Cc1cc(N(C)C)nc([C@@H]2COCCN2C(=O)CCCn2cncn2)n1 257308001 TVBLEBYUWDSDFH-AWEZNQCLSA-N 359.434 0.823 0 40 FCAB O=C(CN1CCOCC1)N1CCOC[C@H](Cc2ccc3[nH]ncc3c2)C1 257332677 XYFTVYWBCPLTPR-MRXNPFEDSA-N 358.442 0.913 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)CCN(C)c2ccc(F)cc2)CCN1C(C)=O 257334872 YHSXLJPQSNRLGB-MRXNPFEDSA-N 364.421 0.457 0 40 FCAB Nc1nc(NC(=O)c2ccccc2)c2ncn([C@@H]3C[C@H](O)[C@H](CO)O3)c2n1 390828334 QKCMMMLZVJLZRK-SRVKXCTJSA-N 370.369 0.302 0 40 FCAB CC(=O)N(CC(=O)O)[C@@H]1CCCN(C(=O)c2cnn3ccc(C)nc23)CC1 509076528 ZPORIIDFYIFOER-CQSZACIVSA-N 373.413 0.966 0 40 FCAB Cn1cnc(C(=O)N2C[C@H]3OC[C@H](CNC(=O)c4cccnc4)[C@H]3C2)c1 575403343 IINCTNOFNJAYTF-SQWLQELKSA-N 355.398 0.332 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)N(CCN)[C@]2(C)CCS(=O)(=O)C2)c1 575425507 FPOOERUPBABVMT-OAHLLOKOSA-N 360.501 0.830 0 40 FCAB Cc1c(NC(=O)c2cc(=O)n(C)cn2)cccc1C(=O)N1CCOCC1 635410962 NSSYIIONWIZRQO-UHFFFAOYSA-N 356.382 0.813 0 40 FCAB CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)[C@H]1n1cccn1 664971197 QUHQCUQIIGISGW-XPABHHOTSA-N 370.475 0.867 0 40 FCAB Cn1ncc(C(=O)NC[C@@H]2CC3(CCNCC3)C(=O)O2)c1Br 1122199521 YUVDVSGPVVVWFW-VIFPVBQESA-N 371.235 0.598 0 40 FCAB O=C(c1cscn1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@H]2C1 1549161689 JQIWYEMBEFJQMX-GFCCVEGCSA-N 362.411 0.411 0 40 FCAB CN(C)c1ccnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)n1 1889139384 RGZCGXIPZUQDQJ-UHFFFAOYSA-N 351.418 0.845 0 40 FCAB CS(=O)(=O)CCC(=O)N1CC2(C[C@H](NCc3cccnc3)CS2)C1 2056223681 AIEOVCICAOBABL-AWEZNQCLSA-N 369.512 0.692 0 40 FCAB COCCNc1nnc(SCC(=O)NC(=O)c2cccn2C)s1 5078489 MSXYZLVZPZUUAX-UHFFFAOYSA-N 355.445 0.984 0 40 FCAB C[C@@]1(NC(=O)CSc2nnc3n2CCCCC3)CCS(=O)(=O)C1 6096982 TXDMNTHCZATAOZ-CQSZACIVSA-N 358.489 0.790 0 40 FCAB Cc1ccccc1OCC(=O)OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 7601332 KDZPJSMPKGYYIK-ZDUSSCGKSA-N 355.412 0.563 0 40 FCAB O=C(CCn1nnc2ccccc2c1=O)NCC(=O)NCc1ccco1 9313552 AMNCQBFHPSQMOT-UHFFFAOYSA-N 355.354 0.207 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccc(COCC(F)(F)F)cc1 11484099 XRLIFTWAYDLVGP-UHFFFAOYSA-N 371.315 0.932 0 40 FCAB Cn1c(=O)c2c(nc(N3CCOCC3)n2Cc2ccccc2F)n(C)c1=O 12563645 VVSSILIDZXRQQE-UHFFFAOYSA-N 373.388 0.458 0 40 FCAB Cc1cc2n(C[C@@H](O)CN3C(=O)c4ccccc4C3=O)c(C)cc(=O)n2n1 12950164 SFJXACCQTXSWLG-CYBMUJFWSA-N 366.377 0.770 0 40 FCAB COCCNC(=O)NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C 14184280 LFEGRHHHWONYDR-UHFFFAOYSA-N 350.419 0.646 0 40 FCAB COCc1nnc(NC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)s1 19594507 AUODSHWOCLNFGJ-NSHDSACASA-N 353.448 0.756 0 40 FCAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCn2ccnc2)cc1 20245900 DAFQUPISTYHYET-UHFFFAOYSA-N 365.459 0.946 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1CC(=O)Nc1cc(C(C)(C)C)no1 24806747 XMDLJKYOLLKYSZ-JTQLQIEISA-N 352.391 0.274 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 29959336 LLOZCQWKGRMCFS-JQWIXIFHSA-N 356.831 0.996 0 40 FCAB CCCNC(=O)CN1CCC(NC(=O)c2n[nH]c(=O)c3ccccc23)CC1 31922885 LCEDUTQPAZXYHR-UHFFFAOYSA-N 371.441 0.644 0 40 FCAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCN(C(C)=O)CC1 33023639 KMOURTLGFTVKRT-ZDUSSCGKSA-N 353.444 0.822 0 40 FCAB CC(C)(C)NC(=O)N1CCC(CNC(=O)CN2C(=O)CCC2=O)CC1 43978307 ZQYFAWNGMZTIBH-UHFFFAOYSA-N 352.435 0.472 0 40 FCAB CSCC[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)O 49546290 JNOQULWSPUEHTG-ZDUSSCGKSA-N 353.444 0.835 0 40 FCAB CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cnccn3)CC2)cc1 58217202 LTIREZJVCXXVLO-UHFFFAOYSA-N 374.422 0.478 0 40 FCAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)c3cnccn3)CC2)c1C 58278720 IQJYRPZKJXHKSZ-UHFFFAOYSA-N 371.397 0.806 0 40 FCAB Cc1cc(C(=O)O[C@H](C(N)=O)C2CCOCC2)ccc1N1CCNC1=O 75094090 DRLOOCUTPGHUPV-HNNXBMFYSA-N 361.398 0.962 0 40 FCAB O=C(/C=C/c1cccnc1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124284 GDJQQYGXYZGYJF-ZZXKWVIFSA-N 362.397 0.814 0 40 FCAB Cc1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)N(C)C 96193191 JMKITKVPZLMMNG-ZDUSSCGKSA-N 356.444 0.919 0 40 FCAB Cc1cnc(C(=O)N2CCOC[C@]3(C[C@H](Cn4cnnc4)CO3)C2)cn1 96240611 YGWJZSXDUQQSSR-PBHICJAKSA-N 358.402 0.324 0 40 FCAB O=[N+]1C(CN2CCOCC2)=C(CN2CCOCC2)N(O)[C@@H]2CCCC[C@H]21 137072927 GHBJUKUERZIRHU-HZPDHXFCSA-N 367.470 0.657 0 40 FCAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1cccc2c1OCCO2 225806266 YSKYNQHPNSGJAW-UHFFFAOYSA-N 373.390 0.953 0 40 FCAB COc1ccc(CC(=O)N2CC[C@](O)(CN3CCOCC3)C2)cc1F 257227194 FOBGUQFPVSZZQM-SFHVURJKSA-N 352.406 0.672 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2[nH]c3c(OC)cccc3c2C)CCN1C(C)=O 257315695 VCLJRUXVPOAEKM-CQSZACIVSA-N 372.425 0.904 0 40 FCAB COC[C@]1(CC(N)=O)CN(C(=O)COc2ccc(Cl)cc2)CCO1 585278205 NFPFPUAISHCGFS-INIZCTEOSA-N 356.806 0.838 0 40 FCAB O=C(CN1CCCC[C@@H](O)C1=O)NCc1cccc(N2CCCC2=O)c1 644310381 VLTRJLARCGOERN-MRXNPFEDSA-N 359.426 0.803 0 40 FCAB Cn1nc(CCNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c2ccccc21 1517194430 GFVPIQHAGNTCDN-LLVKDONJSA-N 369.385 0.246 0 40 FCAB CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C]1C(=O)O 1560408679 QCMZDSHBRIXFLS-IMSIIYSGSA-N 364.403 0.187 0 40 FCAB Cn1cccc(C(=O)N2C[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)c1=O 1565548510 DLIRFORQAQLRQI-DZGCQCFKSA-N 355.398 0.153 0 40 FCAB CCN1C(=O)C[C@H](C(=O)NCC(=O)c2cnn(C)c2)[C@H]1c1nccn1C 1615591658 OMQHMWLGZUMBEF-WFASDCNBSA-N 358.402 0.062 0 40 FCAB CCNC(=O)NC(=O)[C@H](C)OC(=O)CCS(=O)(=O)c1ccc(C)cc1 2649770 WQLGCOAMCHEZFY-LBPRGKRZSA-N 370.427 0.936 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)CCNC(=O)c2ccco2)cc1 3455899 IFNGUQZWVHQJNB-UHFFFAOYSA-N 365.411 0.406 0 40 FCAB CCOC(=O)c1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 13816483 RVORGYUTTMEPAR-UHFFFAOYSA-N 355.354 0.752 0 40 FCAB CCCNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 14076779 AYCRQNMMWPJHGA-UHFFFAOYSA-N 369.425 0.954 0 40 FCAB O=C(Cn1cc(C(=O)N2CCCOCC2)ccc1=O)Nc1nccs1 19749259 STWBBBHYVFURKD-UHFFFAOYSA-N 362.411 0.806 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)N[C@H]2CCCc3ccccc32)n(C)c1=O 25329966 LMUDWESWOQLLET-AWEZNQCLSA-N 367.409 0.628 0 40 FCAB NC(=O)CCS(=O)(=O)CCN1CCN(Cc2ccc(Cl)cc2)CC1 25408134 LIVILIKAQZHHRE-UHFFFAOYSA-N 373.906 0.748 0 40 FCAB COc1ccccc1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 40152968 BZRQZVUTGIKEAA-UHFFFAOYSA-N 374.397 0.520 0 40 FCAB O=C(N[C@H]1CCSC1=O)C1CN(C(=O)COc2ccccc2F)C1 70637466 GCSCOOPMTFQSHA-LBPRGKRZSA-N 352.387 0.811 0 40 FCAB COC(=O)C[C@H]1CN(C(=O)CCN2C(=O)c3ccc(C)cc3C2=O)CCO1 79018600 WSCJXEDXZDIPFF-ZDUSSCGKSA-N 374.393 0.772 0 40 FCAB CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(C)cc1 95996030 RRJZINUEKDEUKC-HNNXBMFYSA-N 363.414 0.314 0 40 FCAB CN(C)C(=O)CN1CCOC[C@@]2(C1)CN(Cc1cccs1)CCO2 96229418 IRYCGDXRGHVXPZ-KRWDZBQOSA-N 353.488 0.740 0 40 FCAB CN1CC[C@H](COCC2CC2)CC12CN(S(=O)(=O)c1cn(C)cn1)C2 248114201 IDPPKWJWDKIIOK-HNNXBMFYSA-N 368.503 0.932 0 40 FCAB COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)Cn3ccnc3)C2)cc1 257255411 KHIZHCGTXUWFNQ-IBGZPJMESA-N 358.442 0.987 0 40 FCAB Cn1cc(C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)s3)C2)cn1 531312609 FHHPYWLUWMQJOH-JTQLQIEISA-N 354.457 0.834 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@@H]2CN(C3CCOCC3)CCO[C@@H]2C1 1565544564 LSEZJUJAHCBRHD-LHKMKVQPSA-N 350.459 0.607 0 40 FCAB Cn1cc(N2C[C@]3(CCN(C(=O)c4cccn(C)c4=O)C3)CC2=O)cn1 1614928181 AOVCWKFLYUWTGP-GOSISDBHSA-N 355.398 0.388 0 40 FCAB CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)cc1 920696 VIVBFACEYZXQKS-HNNXBMFYSA-N 358.398 0.474 0 40 FCAB COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 3838653 RFWDZGQDCGMZRD-XHSDSOJGSA-N 370.457 0.813 0 40 FCAB biogenic,in-vitro NC(=O)C1CCN(C(=O)CCC(=O)NCc2ccc3c(c2)OCO3)CC1 4689536 VNYXCRAEOQUPGV-UHFFFAOYSA-N 361.398 0.536 0 40 FCAB Cn1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 5336035 ARIXPPAXABRBQC-UHFFFAOYSA-N 350.400 0.693 0 40 FCAB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(OC)cc1)C1=C(COC1=O)N2 7736442 PCBJWZNQURFNKD-LBPRGKRZSA-N 355.350 0.933 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@H]3CCCC[C@H]32)n(C)c1=O 8746656 FDAHJPFGWQZHLF-CHWSQXEVSA-N 359.430 0.615 0 40 FCAB COc1ccc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 10219358 PQPNNCIEUWRIOM-UHFFFAOYSA-N 374.374 0.991 0 40 FCAB CCN(C(=O)[C@@H](C)Sc1nc(N)cc(N)n1)[C@H]1CCS(=O)(=O)C1 11391872 HRVGIXFDLJARNH-BDAKNGLRSA-N 359.477 0.157 0 40 FCAB NC(=O)NCc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 12599264 VITGJSYLUMIETC-UHFFFAOYSA-N 374.353 0.631 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C)n2)cc1 12927737 XOKTXZIYBFLKDA-UHFFFAOYSA-N 365.415 0.638 0 40 FCAB C[C@H]1CN(C(=O)COC(=O)c2ccccc2NS(C)(=O)=O)C[C@@H](C)O1 13109957 LYBBCHZAXPIHQP-TXEJJXNPSA-N 370.427 0.851 0 40 FCAB O=C([C@@H]1Cc2ccccc2O1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14252423 LLYOSDGKZYGZMH-HOCLYGCPSA-N 350.440 0.321 0 40 FCAB COCCCNC(=O)c1nc(O)c2nnn(Cc3ccc(F)cc3)c2n1 19593315 IWIFLGDVCFLXAA-UHFFFAOYSA-N 360.349 0.881 0 40 FCAB Cn1cc2c(n1)[C@@H](C(=O)N1CCOCC1)CN(C(=O)c1cccnc1)C2 19696325 DCFLAIFSVBZRNX-HNNXBMFYSA-N 355.398 0.414 0 40 FCAB COc1ccc(OC)c(NC(=O)C[C@H]2SC[C@H](C(=O)O)NC2=O)c1 20635205 NSLBSQWNSLYGNH-ZYHUDNBSSA-N 354.384 0.717 0 40 FCAB Cn1cccc1C(=O)NCCNC(=O)c1cccc(NS(C)(=O)=O)c1 23003365 QJPZINSFEYCJNF-UHFFFAOYSA-N 364.427 0.556 0 40 FCAB O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@@H]1CCS(=O)(=O)C1 23259582 JLSKUZFMHRBSEQ-OAHLLOKOSA-N 369.462 0.247 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)COc2ccc(F)cc2Cl)CC1 24229987 GVWPAFFKJZAVIA-UHFFFAOYSA-N 350.799 0.962 0 40 FCAB Cc1ccc(S(=O)(=O)NCCn2c(=O)[nH]c3ccccc3c2=O)cc1 24960176 TWADWPQEEKHRTI-UHFFFAOYSA-N 359.407 0.977 0 40 FCAB COC(=O)c1ccccc1-n1ncc(N2CCNC(=O)C2)c(Cl)c1=O 29306625 UOXMIOOZYJVAAZ-UHFFFAOYSA-N 362.773 0.609 0 40 FCAB COc1cc(N2C[C@@H](C(=O)N3CCOCC3)CC2=O)cc(OC)c1OC 32779857 SZTLXHVQPMOJOL-LBPRGKRZSA-N 364.398 0.924 0 40 FCAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCO[C@@H](C(N)=O)C2)cc1 50852325 DCGXTDXKVDOGDY-GFCCVEGCSA-N 361.427 0.629 0 40 FCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CC(F)(F)F)CC2)o1 69538598 IMUIPSURLDHCCN-UHFFFAOYSA-N 369.321 0.164 0 40 FCAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCN(CCS(C)(=O)=O)CC1 72256364 JMVXCEWDQQDGGD-UHFFFAOYSA-N 356.492 0.520 0 40 FCAB O=C(O)[C@H]1COCCN1S(=O)(=O)c1sccc1Br 88376572 JSDWOEWVNONUMA-SSDOTTSWSA-N 356.219 0.985 0 40 FCAB COC(=O)CCN(CC(OC)OC)S(=O)(=O)c1cn(C(C)C)cn1 95943766 UXVUZGMWKJUEKS-UHFFFAOYSA-N 363.436 0.637 0 40 FCAB Cc1cc(N2CCC[C@@H](N3CCN(Cc4ccnn4C)CC3)C2=O)n(C)n1 96002649 HGKIVNKYWYVWEA-QGZVFWFLSA-N 371.489 0.775 0 40 FCAB CN(Cc1ccco1)C[C@@H]1CC[C@@]2(COCCN(S(C)(=O)=O)C2)O1 96063514 KZMMMDYVLQOXMA-JKSUJKDBSA-N 358.460 0.921 0 40 FCAB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)[C@H]1C(=O)Nc1cccnc1Cl 101775456 KFLAKVQCUJVJAK-GXSJLCMTSA-N 370.818 0.695 0 40 FCAB C[C@]1(N2C(=S)S[C@@H]3CS(=O)(=O)C[C@]32C)CCS(=O)(=O)C1 215930463 WMKJDMHAWLNELT-DVVUODLYSA-N 355.528 0.453 0 40 FCAB O=C(O)c1cc(S(=O)(=O)NCCCO)ccc1NC[C@H]1CCCO1 217594609 AJOZBMGPOKNWGN-LLVKDONJSA-N 358.416 0.636 0 40 FCAB O=C(Cn1cccn1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225759160 JUHMXHFTAQYTSI-UHFFFAOYSA-N 353.382 0.750 0 40 FCAB COCCN1C(=O)CC[C@@H](C(=O)NCCO)[C@@H]1c1cccc(OC)c1 257324092 WNDFXJHJXDDFKD-WBVHZDCISA-N 350.415 0.730 0 40 FCAB CCOCC(=O)N1Cc2ccnn2[C@@H](C(=O)NCC2CCOCC2)C1 575405536 TZEMBBUVAXOCBZ-OAHLLOKOSA-N 350.419 0.346 0 40 FCAB CCCS(=O)(=O)N1Cc2cncn2[C@@H](C(=O)NCc2ccco2)C1 585096117 SIFZKVAKRIHUCQ-CQSZACIVSA-N 352.416 0.889 0 40 FCAB COc1ccccc1CNC(=O)C[C@]1(OC)COCCN(C(C)=O)C1 585281452 XRQBKQKYXSCAMJ-GOSISDBHSA-N 350.415 0.965 0 40 FCAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2cccnc2)C1 585291530 RIARWSBTAQMNEA-QUCCMNQESA-N 355.438 0.738 0 40 FCAB O=C([C@H]1CN(Cc2noc(C3CCOCC3)n2)CCO1)N1CCCC1 1888859276 HVJHIUOPXDJOEF-CQSZACIVSA-N 350.419 0.787 0 40 FCAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)O)cc2)CC1 1003739 QZBAALRRMMUOIK-VOTSOKGWSA-N 353.400 0.202 0 40 FCAB CCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1cccc(Cl)c1 3073399 GXYTZAJHKXHSSX-SECBINFHSA-N 363.757 0.974 0 40 FCAB CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(F)c1 4195328 XSKYPPWCOSGGMK-UHFFFAOYSA-N 353.350 0.723 0 40 FCAB aggregator CCOC(=O)c1ccc(N2C(=O)C=C(N3CCC[C@@H](C(N)=O)C3)C2=O)cc1 4770843 VGWFZLMANWLYQZ-CYBMUJFWSA-N 371.393 0.818 0 40 FCAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc4c(c3)OCCO4)cnc21 8706008 RAJSWAKKETXMJQ-UHFFFAOYSA-N 355.354 0.930 0 40 FCAB COc1c(C)cnc2c1c(=O)n(CC(=O)Nc1cc(C)on1)c(=O)n2C 9648878 OFFJXKAUFBLNOS-UHFFFAOYSA-N 359.342 0.347 0 40 FCAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1 10326596 FPCGCIXZVSVPPX-UHFFFAOYSA-N 354.432 0.242 0 40 FCAB CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@@H](CC)CO)c3=O)cc1 12234049 RBOHUZVQWYDBET-LBPRGKRZSA-N 373.413 0.689 0 40 FCAB CS(=O)(=O)N(CCCC(=O)NCCN1CCOCC1)c1ccccc1 19928920 OMYSOURTJBPQCJ-UHFFFAOYSA-N 369.487 0.681 0 40 FCAB CCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 22277410 SFTYYYUHIMZPME-UHFFFAOYSA-N 369.487 0.918 0 40 FCAB Cc1nc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)sc1C 36318490 LLLZTFLDOZFLJE-JTQLQIEISA-N 370.456 0.864 0 40 FCAB COCCNC(=O)[C@H]1C[C@@H](c2ccc(OC)cc2)NS(=O)(=O)N1C 72389503 KVSAYUBYFORDBJ-UONOGXRCSA-N 357.432 0.037 0 40 FCAB CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 78062249 LWTIOHAEMYSEDG-IRXDYDNUSA-N 366.483 0.923 0 40 FCAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1CCS(=O)(=O)C1 95532374 WVURKANUPLFKBG-IINYFYTJSA-N 350.396 0.715 0 40 FCAB Cc1cnc(C(=O)N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)cn1 96050369 DTVGKFATJZBVLE-GOSISDBHSA-N 369.429 0.082 0 40 FCAB COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 97000628 ALCHVXLROFYBLV-SECBINFHSA-N 367.832 0.592 0 40 FCAB COCCOC[C@@]1(CNC(=O)c2nc3ccccc3[nH]2)C[C@H](O)[C@H](O)C1 107430628 YZYYTFTZCDKHJY-JLVBRIDZSA-N 363.414 0.458 0 40 FCAB biogenic,in-vitro CC(=O)NCC(=O)N1CCC2(CCCN(Cc3cccnc3)C2=O)CC1 108526385 RZFHJMMHCLJJLL-UHFFFAOYSA-N 358.442 0.949 0 40 FCAB CC(=O)Nc1nnc(S(=O)(=O)NCCOCc2ccccc2)s1 225146899 IEXZLYVULHKDNU-UHFFFAOYSA-N 356.429 0.992 0 40 FCAB CS(=O)(=O)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 247493378 CERIZNGLYGEPRV-ZDUSSCGKSA-N 354.457 0.620 0 40 FCAB Cc1cc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)nc(O)n1 257250036 JKSOQNVFPILXBG-HNNXBMFYSA-N 356.373 0.799 0 40 FCAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)S(=O)(=O)c1cn[nH]c1 257277618 NYTBGVMPIPQVPG-HNNXBMFYSA-N 351.432 0.457 0 40 FCAB NC(=O)N1CCN2C(=O)N(Cc3cccnc3C(F)(F)F)C(=O)[C@H]2C1 530106415 MUWHWHVWLPDNGX-SECBINFHSA-N 357.292 0.628 0 40 FCAB CNC(=O)/C=C/CNC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 575617838 RAYOYFQVDOEZLP-ITKZLYELSA-N 361.398 0.475 0 40 FCAB Cn1cc(-c2nnn3c2CO[C@@H](CNC(=O)Cc2ccc(F)cn2)C3)cn1 585113277 GSEPDTIFWVNLEB-AWEZNQCLSA-N 371.376 0.470 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCO1 681940728 FHDSBEXICXLTFA-ZDUSSCGKSA-N 364.354 0.189 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1 1565544014 AMZZJKIQMPAIJI-MKSNKDDYSA-N 358.442 0.814 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@H]2[C@@H](CC1)OCCN2CCN1CCCC1 1565550559 CTNWSDFUXOTXSP-ZWJWXYIHSA-N 363.502 0.666 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)C(C)C)C[C@H]4C3)nn12 1888879058 JNLFTSUUOBDNKF-BETUJISGSA-N 364.475 0.793 0 40 FCAB O=C(c1ncccc1F)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888901286 ACXOTKGQMPJGOZ-RYUDHWBXSA-N 353.361 0.867 0 40 FCAB COC(=O)CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3217335 FZSVAKATPMCXJF-UHFFFAOYSA-N 359.359 0.967 0 40 FCAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 3424986 HVAVOYVMZGFHOU-UHFFFAOYSA-N 370.346 0.643 0 40 FCAB COCCn1cnnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 3427536 WPWSYPHXDJWMTG-UHFFFAOYSA-N 371.444 0.303 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)c2cc3c(s2)CCCC3)c(=O)[nH]c1=O 5472678 BVZCXEGVGWZPQY-UHFFFAOYSA-N 363.395 0.636 0 40 FCAB COc1cc(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc(OC)c1OC 7473261 RMQNITGCUXMPSG-MRXNPFEDSA-N 357.428 0.948 0 40 FCAB COc1ccc2c(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc(=O)oc2c1 7738264 QXAZGLRQKDAZNQ-UHFFFAOYSA-N 368.349 0.597 0 40 FCAB CCc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1 10283943 LERPCBYJYSQJLJ-UHFFFAOYSA-N 353.444 0.316 0 40 FCAB CS(=O)(=O)c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 17114396 UWFNCOREYZJNBJ-UHFFFAOYSA-N 365.411 0.990 0 40 FCAB Cc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)NC(C)C)CC2)cc1 19831417 RGGQTBPWAKFRMZ-UHFFFAOYSA-N 360.458 0.394 0 40 FCAB CCOC(=O)[C@H]1CCCN(c2c(C)cnc3c2c(=O)n(C)c(=O)n3C)C1 22767637 XYUXXQBTDFNLHV-LBPRGKRZSA-N 360.414 0.720 0 40 FCAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 22968685 GVNZQIVTOVWLMP-GDBMZVCRSA-N 370.446 0.750 0 40 FCAB O=C(CNC(=O)NCc1ccc(N2CCOCC2)nc1)NCc1ccco1 27337187 JWFLPSHYBMFZAA-UHFFFAOYSA-N 373.413 0.627 0 40 FCAB CCn1cnnc1CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 40113384 NGMCSAACVRBZIP-UHFFFAOYSA-N 367.431 0.996 0 40 FCAB COc1ccc(CNC(=O)Cn2cnc3c(C(N)=O)nsc3c2=O)cc1 49409400 ULENKAAHAVIPFC-UHFFFAOYSA-N 373.394 0.277 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)N2CCn3cccc3[C@@H]2C)CC1 58166042 GJNPJEJHACIXSL-ZDUSSCGKSA-N 356.448 0.884 0 40 FCAB O=C(c1cnccn1)N1C[C@H]2CCc3c(nc(N4CCCC4)[nH]c3=O)[C@H]2C1 72336069 GXTKHOAEEOQAKY-OCCSQVGLSA-N 366.425 0.962 0 40 FCAB CCCC[C@@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 75105800 QBMKRYHTVALQAE-LBPRGKRZSA-N 353.423 0.231 0 40 FCAB Cc1cccc(N2CCN(CCCNS(=O)(=O)CCN(C)C)CC2)c1 96008989 QPZFITGJSMUQPV-UHFFFAOYSA-N 368.547 0.988 0 40 FCAB CCS(=O)(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2CC(C)C 96251575 CUYFNLDYTVKEFP-UONOGXRCSA-N 352.522 0.556 0 40 FCAB CC[C@@H](C)NC(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(C)c1)C2=O 98213143 URYYVVOIGYAVSZ-CQSZACIVSA-N 371.441 0.924 0 40 FCAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCn1nnc2ccccc2c1=O 101477641 WBQZVEGYBFFVFF-RYUDHWBXSA-N 370.365 0.467 0 40 FCAB CCN1CCN(C(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)CC1 225740385 PIVKRMVFANULGW-UHFFFAOYSA-N 353.488 0.921 0 40 FCAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cccnc1OC)C2 247832687 HXFWIBGXJNXYBM-GFCCVEGCSA-N 354.428 0.756 0 40 FCAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)C2CCOCC2)C[C@H]1O 257267238 MGNAHUGJQKHQNW-MGPQQGTHSA-N 358.435 0.260 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2cncc(-c3cncn3C)n2)CC1 257290390 QCUBCOBYNNBVLI-UHFFFAOYSA-N 350.448 0.863 0 40 FCAB NCCCC[C@H](N)C(=O)N1C[C@H](O)[C@H](Cc2ccnc3cccnc23)C1 257319658 VTMPDVSPHSAHJW-VYDXJSESSA-N 357.458 0.448 0 40 FCAB O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CCC[C@@H]1Cn1ccnc1 269783687 PGMKRTSRWJTSJY-KGLIPLIRSA-N 351.432 0.894 0 40 FCAB O=C(CC1(Cn2cnnn2)CCCCC1)NC[C@H]1CCS(=O)(=O)C1 524735057 ROLUABNCNXZHPD-CYBMUJFWSA-N 355.464 0.565 0 40 FCAB CN(Cc1nccc(N)n1)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 548026322 XWMSOXDCTRLVJH-STQMWFEESA-N 360.441 0.964 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NC1CC(F)(F)C1)CO2 575404286 LIMUULUGNPOFCF-KGYLQXTDSA-N 357.401 0.468 0 40 FCAB CCCc1onc(C)c1C(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NC)CO2 575405174 QPNQFUIUQFGHQJ-GFCCVEGCSA-N 350.419 0.207 0 40 FCAB CN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1cccc2cccnc12 575425458 FGLGWEHBSWAAAP-VXGBXAGGSA-N 356.425 0.013 0 40 FCAB Cc1cc(=O)c(OCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cn1C 604405731 VAINAPWEGGSMBW-CABCVRRESA-N 369.421 0.880 0 40 FCAB biogenic O=C(NCCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1)[C@@H]1CCCN1 1261579396 KRKOXDWJRLPHMD-XHSDSOJGSA-N 359.426 0.572 0 40 FCAB CC(=O)Cn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4370690 KZWYAYGCGNIQOW-UHFFFAOYSA-N 351.366 0.942 0 40 FCAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCC(C)C 11904545 QKRBXRWTFSDCSQ-UHFFFAOYSA-N 360.457 0.996 0 40 FCAB Cc1cc2ccccc2n2c(=O)n(C[C@@H](C)NC(=O)Cn3cncn3)nc12 12146423 HVYRYPYAAUVBDD-CYBMUJFWSA-N 365.397 0.754 0 40 FCAB O=C(Nc1ccccc1F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12775189 YFAWHDUNUUWFPD-SNVBAGLBSA-N 353.375 0.930 0 40 FCAB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)on1 12801618 OAMIVRUGYYUMMS-UHFFFAOYSA-N 364.427 0.928 0 40 FCAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(C(=O)c2ccoc2)CC1 25232889 PVHQFWSSZRYNGF-UHFFFAOYSA-N 352.354 0.854 0 40 FCAB C[C@@H](C(=O)NC(N)=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52110757 WUHBZZYUHDQNGG-VIFPVBQESA-N 356.785 0.820 0 40 FCAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CCC(=O)NC(=O)NC)C1=O 58226368 BUCCARZNXCXWKE-MRXNPFEDSA-N 350.350 0.829 0 40 FCAB COC(=O)[C@@H](CCSC)NC(=O)[C@@H](C)n1nnc2ccccc2c1=O 71335299 XZDAPIRGMYYAOY-ZWNOBZJWSA-N 364.427 0.763 0 40 FCAB CCN(C)Cc1cc2n(n1)CCCN(C(=O)C1CC3(C1)NC(=O)NC3=O)C2 72478474 JWOICTCLFLFMRK-UHFFFAOYSA-N 374.445 0.055 0 40 FCAB CCCNC(=O)CNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102892046 YDKFYPSOAIEBDW-ZNMIVQPWSA-N 363.458 0.995 0 40 FCAB CC(=O)N[C@H]1CC2(CCN(CC(=O)N3CCCC3)CC2)OC[C@]1(C)O 257227087 FNOHWJACIRYOAT-RDJZCZTQSA-N 353.463 0.119 0 40 FCAB O=C(O)/C=C/C(=O)NC[C@@]1(O)CCCN(c2ccnc3cccnc23)C1 257296551 RDHWSFHPIXZTGJ-WRFKIARRSA-N 356.382 0.718 0 40 FCAB CNC(=O)CNC(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1Cl 257311208 UIKCTMAMJPJZMZ-WBMJQRKESA-N 367.833 0.738 0 40 FCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)CC2CC2)C3)n1 306139775 UAHYTJRHFGZFAN-AWEZNQCLSA-N 365.455 0.980 0 40 FCAB COc1ccccc1CN1Cc2ccnn2[C@H](CNS(C)(=O)=O)C1 585111912 IYNWNQCFGVIOAV-OAHLLOKOSA-N 350.444 0.998 0 40 FCAB Cn1cc(O[C@@H]2CN(Cc3nc4ccccc4c(=O)n3C)C[C@H]2O)cn1 625624079 ICTNRBJEONEGTP-HZPDHXFCSA-N 355.398 0.291 0 40 FCAB Cc1cccn2c(=O)cc(CN3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)nc12 625625442 WJGHHJCNZMXSLA-HZPDHXFCSA-N 355.398 0.361 0 40 FCAB O=c1cc(N2CCCN(c3ccc4nncn4n3)CC2)nc2ccccn12 1565520658 BJUVRCGILUEYSW-UHFFFAOYSA-N 362.397 0.849 0 40 FCAB CC[C@@H]1CN(C(=O)c2c(C)noc2C)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772595002 OGFGIKPFOHPPCN-BRWVUGGUSA-N 364.490 0.998 0 40 FCAB COc1cc(CN2CCO[C@H](C(=O)N3CCOCC3)C2)cc(OC)c1 1889131793 DCEZGYDSQCIMKQ-KRWDZBQOSA-N 350.415 0.763 0 40 FCAB Cc1cc(N(C)C)nc(N2CCN(c3cc(C)nc4ncnn34)CC2)n1 1889136345 XWXWQZKWEBRVJL-UHFFFAOYSA-N 353.434 0.924 0 40 FCAB Cn1cccc(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)c1=O 2055795897 QRAUWGVZXBSBJB-MRXNPFEDSA-N 373.453 0.780 0 40 FCAB CC(C)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 987863 KTANSLZKKYYCCF-UHFFFAOYSA-N 354.476 0.633 0 40 FCAB O=C(NCCO)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 4519291 QANSQPBQYRIRJN-NSHDSACASA-N 372.424 0.081 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCO)C2)cc1 4813784 DLJJXGWFXYJYLG-AWEZNQCLSA-N 370.471 0.985 0 40 FCAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1cnc2c1c(=O)n(C)c(=O)n2C 4829805 JRNFDNNGSPUXPH-VIFPVBQESA-N 371.353 0.362 0 40 FCAB COC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 5218806 WINVLSRAHTVPDR-ABKXIKBNSA-N 355.341 0.883 0 40 FCAB Cc1ccc(NC(=O)CSc2nnnn2C)cc1S(=O)(=O)N(C)C 8684384 SUAIOVYQIRNPIQ-UHFFFAOYSA-N 370.460 0.500 0 40 FCAB CN(C)CCNC(=O)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421596 NYUWIAWDPAJVSY-JTQLQIEISA-N 351.842 0.901 0 40 FCAB COC(=O)CCC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 12321875 XJMZVRGALVWGKX-UHFFFAOYSA-N 355.354 0.678 0 40 FCAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(=C(C)C)NN32)cc1 14607181 QNMUHEZAEWAMIJ-CYBMUJFWSA-N 356.386 0.900 0 40 FCAB CN1C(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2C1=O 15308202 MWJZCSNIUBSKHP-UHFFFAOYSA-N 351.366 0.665 0 40 FCAB CCOC(=O)CCc1c(C)nc(-n2[nH]c(C)c(CCO)c2=O)nc1O 15986864 HTJHAZFKQFXCLI-UHFFFAOYSA-N 350.375 0.309 0 40 FCAB CCc1noc(CCC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)n1 19749147 NTBDYKJMCZHBLL-GFCCVEGCSA-N 358.464 0.885 0 40 FCAB CCn1c(=O)oc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc21 19936868 HUPBALPUGHGFLL-UHFFFAOYSA-N 369.443 0.615 0 40 FCAB C[C@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H](C)O1 21265205 AKMQZMBNPQVKHY-STQMWFEESA-N 355.460 0.985 0 40 FCAB CNC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1 23180721 VRMRPUBDEIJHCZ-UHFFFAOYSA-N 367.471 0.512 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCc3c2cnn3C)CC1 24989303 YLWOOBIRVUTQQP-AWEZNQCLSA-N 354.476 0.975 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)c2cccs2)C1 32759848 HXGVBWKRTIKSTQ-RYUDHWBXSA-N 356.469 0.904 0 40 FCAB CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 33029042 HEGIRUCXBGXPMQ-UHFFFAOYSA-N 367.471 0.581 0 40 FCAB Cn1ccnc1CN1C(=O)CO[C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]21 67897643 KCINQFWADDSUCM-CABCVRRESA-N 358.373 0.811 0 40 FCAB biogenic,in-vitro CC(C)NC(=O)CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 96005077 MLIHLIGKTPLSQB-HNNXBMFYSA-N 373.519 0.954 0 40 FCAB O=C(NC[C@]1(COc2cccnc2)C[C@H](O)[C@H](O)C1)C1CCOCC1 107430667 QEVBVJWGBKOLGQ-ALXJQNPVSA-N 350.415 0.505 0 40 FCAB biogenic,in-vitro COc1ccccc1N1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)CC1 225676413 DVRGCYXXWBWGPY-HZMVEIRTSA-N 358.394 0.998 0 40 FCAB COc1nn(C)cc1C(=O)NCc1nnc2ccc(N3CCCC3)nn12 245039151 OHYWITKJNMKANH-UHFFFAOYSA-N 356.390 0.397 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)CCc3ccc(Cl)cc3)C2)CN1C 248093070 WKOSFZDZKGVICT-HNNXBMFYSA-N 365.861 0.930 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)C1=O 390829486 FANLQZOVSLEEDA-LLVKDONJSA-N 368.419 0.220 0 40 FCAB Cc1nc2c(cc1C(=O)NS(=O)(=O)C[C@H]1CCCO1)c(C)nn2C 408428228 TUZQUZAWQBMKPV-LLVKDONJSA-N 352.416 0.824 0 40 FCAB COCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408559057 KZAOAWZQCZMIAP-VIFPVBQESA-N 350.824 0.778 0 40 FCAB CN(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@H](CO)Cc1ccccc1 616936421 GHLSSZVBEZHYCP-ZDUSSCGKSA-N 351.428 0.348 0 40 FCAB C[C@H](C(=O)N(C)CC(=O)N1CCOc2ccc(CN)cc21)n1cccn1 638806367 RAVQVNBPLXOTCS-CYBMUJFWSA-N 357.414 0.787 0 40 FCAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)[C@H]2CCOC2)Cc2ncnn2C1 1565547596 SZFMKMVTVUDULL-KBPBESRZSA-N 355.398 0.912 0 40 FCAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)C1 1684721449 RVLYYHWWIMBLTH-XUXIUFHCSA-N 359.492 0.933 0 40 FCAB CC[C@@H]1CN(C(=O)C2CCOCC2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594897 FCZDZFHYRXMRDN-KBAYOESNSA-N 353.507 0.506 0 40 FCAB COC(=O)C1=NN(CCC(C)=O)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 5022780 QJLIZBFWQTUGDK-UKRRQHHQSA-N 357.366 0.677 0 40 FCAB CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)C(=O)O 5706783 YVUXDVLDLAQYEC-QWHCGFSZSA-N 370.427 0.596 0 40 FCAB COc1ccc(CC(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 6608303 JIINWCJFZSFACQ-ZDUSSCGKSA-N 355.412 0.426 0 40 FCAB CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)S(=O)(=O)c1cccs1 8883637 ZMOCZHRJSFIKMB-UHFFFAOYSA-N 371.484 0.449 0 40 FCAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCCCC2)n1 9037488 JODROIQLAMQICM-UHFFFAOYSA-N 358.402 0.777 0 40 FCAB Cn1c2c(c(=O)n(C)c1=O)[C@](O)(c1ccc(F)cc1)N=C1SC=CN1C2 12389734 OMNDXASHESPIBX-QGZVFWFLSA-N 374.397 0.806 0 40 FCAB CCN(CC)S(=O)(=O)c1cc(NCC(=O)N2CCNC2=O)ccc1C 12543706 LRDVLFATJZLMLT-UHFFFAOYSA-N 368.459 0.989 0 40 FCAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c1 12770833 VYEOPZKWIGUQAI-UHFFFAOYSA-N 374.371 0.972 0 40 FCAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O 14120001 IEWGJQBFQJFFQZ-LBPRGKRZSA-N 354.370 0.337 0 40 FCAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCCO)cc1Cl 16692510 VZYLIRGBKIINMC-UHFFFAOYSA-N 364.851 0.858 0 40 FCAB COc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 23980927 DJFJTOJYMNQHLD-STQMWFEESA-N 356.444 0.999 0 40 FCAB Cc1cc(C)n2ncc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)c2n1 27268113 ILHIFYMECVTWPC-UHFFFAOYSA-N 365.397 0.930 0 40 FCAB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 36393243 HLHKHRYXSOOIGT-CABCVRRESA-N 366.487 0.238 0 40 FCAB O=C1CN(c2ccc(NC(=O)c3ccnc(-n4cncn4)c3)cn2)CCN1 40156466 NNDMVKWDPNNCAV-UHFFFAOYSA-N 364.369 0.246 0 40 FCAB COc1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1OC 43661573 JNWYFVVFRKCAFA-UHFFFAOYSA-N 356.444 0.506 0 40 FCAB CCCNC(=O)c1cccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 46612505 NKIISVWNSRCUDO-UHFFFAOYSA-N 368.397 0.909 0 40 FCAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(CC(=O)N2CCOCC2)CC1 58225175 LWRROLIOXGCRNK-CYBMUJFWSA-N 354.451 0.182 0 40 FCAB CCCS(=O)(=O)NC1CCN([C@H](C)C(=O)Nc2ncccn2)CC1 69776396 DJFQZRUSSHPKHG-GFCCVEGCSA-N 355.464 0.597 0 40 FCAB COc1ccc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OCC(N)=O 95475850 ZRFJZYNOCAOHSE-NSHDSACASA-N 358.350 0.997 0 40 FCAB CN1CCN(c2ccccc2NC(=O)N2CCn3c(n[nH]c3=O)C2)CC1 95942232 YXBHBPFPUPZULV-UHFFFAOYSA-N 357.418 0.371 0 40 FCAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(S(C)(=O)=O)C2 96050173 SILSANYZVJEWEP-INIZCTEOSA-N 351.428 0.286 0 40 FCAB COC[C@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2cncn2C1 96207177 WBGBBJQGMGYOFE-CYBMUJFWSA-N 353.448 0.701 0 40 FCAB C[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 97166152 DNYKIUKSKLWDIV-GFCCVEGCSA-N 361.489 0.487 0 40 FCAB COc1ccc(OCc2cn(CC(=O)N3CCC(C(N)=O)CC3)nn2)cc1 227167715 MRICZFPOPAZZBD-UHFFFAOYSA-N 373.413 0.590 0 40 FCAB CCc1nc(CNC(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCC4)C[C@@]34C=C[C@H]2O4)no1 252311086 SDOISGIFHJKEQE-XIEZEKGWSA-N 372.425 0.973 0 40 FCAB CC(=O)N1CCN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)C[C@H](CO)C1 257238118 HJQXGTCPVNXODE-MRXNPFEDSA-N 371.441 0.797 0 40 FCAB CCCC(=O)N1CC2(C1)[C@@H](COc1nccc(C)n1)CCS2(=O)=O 306137454 QWQHCTMUQOIVBJ-CYBMUJFWSA-N 353.444 0.980 0 40 FCAB C[C@H]1[C@H](NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)CCN1Cc1ccccc1 333485907 IBLUGODUHBQYHJ-RANZSIQMSA-N 372.469 0.948 0 40 FCAB CCS(=O)(=O)N(CC(=O)NCCCOC)c1ccc2c(c1)OCO2 408705623 KDJOEWWNJNLABP-UHFFFAOYSA-N 358.416 0.724 0 40 FCAB C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)n1nc(C2CC2)ccc1=O 575605817 AEKOGOUGPSSANR-XJKSGUPXSA-N 374.441 0.532 0 40 FCAB CCn1cc(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)cn1 585112012 GYLPJOOBQHEBEQ-OAHLLOKOSA-N 352.464 0.596 0 40 FCAB CNC(=O)C[C@]1(O)COCCN(C(=O)Cc2ccc(OC)c(F)c2)C1 585280119 ALPWKSRBAALVHB-QGZVFWFLSA-N 354.378 0.103 0 40 FCAB CCC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 622244181 JOBXRIVMAQKJQA-LLVKDONJSA-N 350.394 0.488 0 40 FCAB CO[C@H](CS(=O)(=O)Nc1cnccc1-n1ccnn1)[C@H]1CCOC1 656737804 PQIQEZVFGZXWFW-SMDDNHRTSA-N 353.404 0.456 0 40 FCAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2nnnn2CC(F)(F)F)C1 671480931 BCAQTRPEOBCMDF-QWRGUYRKSA-N 362.356 0.447 0 40 FCAB Cc1noc(CC(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)n1 1565542100 MBNCQYPGOJVATP-UHFFFAOYSA-N 358.402 0.175 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@@H]2C[C@@H](COCCN3CCCC3)C[C@H]21 1565544418 KJMCVJPNVDTPLI-GRUVHVDGSA-N 364.486 0.997 0 40 FCAB CCOc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 2654970 SWEOVKMFBZTMCK-UHFFFAOYSA-N 361.354 0.105 0 40 FCAB CCCCCCn1c(C)c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12 4314164 PHLOSIWWPVCRNX-UHFFFAOYSA-N 374.445 0.832 0 40 FCAB Cn1c(=O)c2c(SCCO)nc(-c3cccc(F)c3)nc2n(C)c1=O 4341380 DMTCEVWEWVWEMP-UHFFFAOYSA-N 362.386 0.918 0 40 FCAB C[C@H]1CN(c2ccccc2)c2nc3c(c(=O)n(CC(=O)O)c(=O)n3C)n2C1 4370755 WTWUVIQXSBJUJY-NSHDSACASA-N 369.381 0.769 0 40 FCAB COc1ccc(S(=O)(=O)N2CCCC2=O)cc1N(C)S(C)(=O)=O 4488339 XEWAQUIKWCMEOJ-UHFFFAOYSA-N 362.429 0.402 0 40 FCAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 4697947 RBTVSVIVWPPCPT-SNVBAGLBSA-N 374.440 0.215 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1NC(C)=O 4815412 WFVNZWJMPVBZMY-UHFFFAOYSA-N 355.416 0.540 0 40 FCAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)O)cc1N(C)S(C)(=O)=O 5554109 SRCRFMPQDLKKKU-UHFFFAOYSA-N 364.445 0.452 0 40 FCAB Cn1c(=O)c2c(nc(N3CCCNCC3)n2Cc2ccccc2)n(C)c1=O 8701221 JSWNZGOFKHAWGV-UHFFFAOYSA-N 368.441 0.282 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H]3CCCC[C@@H]31)c(=O)n2C 9156896 SQOQMSQOTBAADT-STQMWFEESA-N 359.430 0.615 0 40 FCAB CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc(Cl)cc1Cl 12378538 UHQRLFPKGHQKEN-DGTMBMJNSA-N 366.197 0.316 0 40 FCAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)N1CCNC1=O 12533731 WYZPGPXQBPIDMF-UHFFFAOYSA-N 352.416 0.435 0 40 FCAB CC(C)CN(C(=O)CN1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14121615 HWRDQPCONDUABH-UHFFFAOYSA-N 365.478 0.860 0 40 FCAB CN(C)c1nc(N)nc(COC(=O)c2ccc(Cn3cncn3)cc2)n1 14148667 IHLLSJKLOYFEPU-UHFFFAOYSA-N 354.374 0.517 0 40 FCAB COC(=O)c1ccc(OC)cc1O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 15394306 FVWJYFJMVZADCX-GHMZBOCLSA-N 371.411 0.552 0 40 FCAB COC(=O)[C@H](CCSC)NC(=O)c1ccc(F)cc1-n1cnnn1 20727651 UVLWUXCOYFPSCI-NSHDSACASA-N 353.379 0.826 0 40 FCAB Cc1ccc(C)c(OC[C@@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 23674345 GZZNIPGZIDOBQL-AWEZNQCLSA-N 372.425 0.799 0 40 FCAB COc1ccc(NC(=O)c2cn[nH]n2)cc1S(=O)(=O)N1CCOCC1 40151226 RSHWVNFTCKBRCQ-UHFFFAOYSA-N 367.387 0.087 0 40 FCAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC(=O)N2CCCCC2)C1 46460855 YBYYRMXLBRTOTQ-HNNXBMFYSA-N 373.519 0.957 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 47793609 GFUBVRVRRJAZNM-UHFFFAOYSA-N 367.349 0.740 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 47991506 IYJYNKKDRZYLGN-WDEREUQCSA-N 358.851 0.650 0 40 FCAB Cn1ccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1=O 53604789 FHJOVLWWPDRUKO-UHFFFAOYSA-N 364.423 0.985 0 40 FCAB CCOCCNS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 58203037 LATPTROXLKJYDS-UHFFFAOYSA-N 365.473 0.815 0 40 FCAB NS(=O)(=O)c1cnn(CCC(=O)Nc2ccc3oc(=O)ccc3c2)c1 58289228 CJOYTFDJZFXZMT-UHFFFAOYSA-N 362.367 0.666 0 40 FCAB O=C(Cn1cnc2ccc(F)cc2c1=O)NCC(=O)Nc1cccnc1 58323845 OVLQMFVSGMSCMX-UHFFFAOYSA-N 355.329 0.686 0 40 FCAB O=S(=O)(NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O)c1ccccc1 77264688 HKMJUTNTNMVGOB-OAGGEKHMSA-N 368.480 0.945 0 40 FCAB biogenic,in-vitro CCOC(=O)CNC(=O)c1nnn2cc(-c3ccccc3OC)[nH]c(=O)c12 90591890 BOWKTSMQUYPYHD-UHFFFAOYSA-N 371.353 0.386 0 40 FCAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)Cn1cnc3ccccc3c1=O)CC2 225787215 UXBKILUTZRGDNR-ZDUSSCGKSA-N 365.393 0.164 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](Oc3cnccn3)C2)CC1 225793625 ZYMVVHFVXIRWAF-CYBMUJFWSA-N 354.432 0.128 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)Cn2cc(Cl)cn2)C1 257232371 GKPDHWYOUBKXGC-SECBINFHSA-N 357.823 0.679 0 40 FCAB CC(C)n1cc(CN2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)cn1 585112227 NEZIGHKQDDKLNR-HNNXBMFYSA-N 352.464 0.767 0 40 FCAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)[C@@H]1CCOC1 585147642 LSTRQQREYYTDHY-GFCCVEGCSA-N 351.428 0.873 0 40 FCAB Cn1cnc2c(N3CCN(c4ncnc5c4ncn5C)CC3)ncnc21 599451566 CBFBIDPVKVHBOM-UHFFFAOYSA-N 350.390 0.367 0 40 FCAB O=C([C@@H]1CCOC1)N1CCOC[C@@]2(CC[C@@H](CN3CCOCC3)O2)C1 1565556049 LLTCVYCARSKIIP-SOLBZPMBSA-N 354.447 0.132 0 40 FCAB CCN1C(=O)C[C@H](C(=O)N2CCc3ncncc3C2)[C@H]1c1nccn1C 1615592180 RMVDIIJBUQMPJE-BBRMVZONSA-N 354.414 0.705 0 40 FCAB COC1(CNS(=O)(=O)c2cccs2)CCN(S(C)(=O)=O)CC1 1889197932 SLNLXDKSOGCCQS-UHFFFAOYSA-N 368.502 0.467 0 40 FCAB C[C@@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O 2362803233 RWELMBQGCLVKOE-RCARQVHKSA-N 366.454 0.456 0 40 FCAB NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12 1578616 MOZMMGVADQTNEZ-SJLPKXTDSA-N 366.421 0.956 0 40 FCAB CC(=O)NC[C@H]1CN(c2ccc(N3CCS(=O)CC3)c(F)c2)C(=O)O1 3810827 WNRIDZUNMXATND-ZDUSSCGKSA-N 369.418 0.856 0 40 FCAB CSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 4119765 AEDYTGAQKLNHAS-UHFFFAOYSA-N 369.468 0.882 0 40 FCAB COC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]12 4673123 CNDSWJGYIOTWMA-DGCLKSJQSA-N 363.757 0.898 0 40 FCAB C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@H]23 4995807 NPYPUYCITBTPSF-QOIZAPAJSA-N 351.399 0.164 0 40 FCAB NS(=O)(=O)c1cccc(NC(=O)CNC(=O)COc2ccccc2)c1 5938524 SZWYLBHWQXGPLV-UHFFFAOYSA-N 363.395 0.468 0 40 FCAB CSCC[C@H](NC(=O)[C@@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 6908537 SHMHJTVSNICKHD-SKDRFNHKSA-N 365.411 0.573 0 40 FCAB biogenic Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)n(C)c1=O 8746655 FDAHJPFGWQZHLF-STQMWFEESA-N 359.430 0.615 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CNC(C)(C)C)CC1 12808561 LVXDVZCLEDRFHF-UHFFFAOYSA-N 358.464 0.512 0 40 FCAB CS(=O)(=O)N1CCCc2cc(C(=O)NCCN3CCOCC3)ccc21 13580483 DMTYTZQAANOVAE-UHFFFAOYSA-N 367.471 0.461 0 40 FCAB CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1 19501119 QTJGDKYXUGGBHI-NSHDSACASA-N 368.459 0.204 0 40 FCAB Cn1cc(C(=O)N2CC(C(=O)NCCc3ccc(F)cc3)C2)ccc1=O 19747475 PFSMNCLPCIPZME-UHFFFAOYSA-N 357.385 0.955 0 40 FCAB COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCSCC1 20503874 DJDFICGTUUCDHP-HRCADAONSA-N 372.604 0.856 0 40 FCAB biogenic,in-vitro O=C(CSc1ccccn1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22760982 ALIIMZPALTXEKM-ZDUSSCGKSA-N 355.485 0.505 0 40 FCAB O=C(Nc1nncs1)C1CCN(S(=O)(=O)c2cccnc2)CC1 23189089 LFSLNQCCJSLGJW-UHFFFAOYSA-N 353.429 0.973 0 40 FCAB CCCN(CC(=O)N(C)C)C(=O)c1ccc(S(=O)(=O)NCC)cc1 48234278 IYPPDQQYESPDMQ-UHFFFAOYSA-N 355.460 0.925 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)NCc2cnn(C)c2)c1 54807427 UPHQQZPGPQJVLE-UHFFFAOYSA-N 365.459 0.815 0 40 FCAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@]21C(=O)N(CC(N)=O)c2ccccc21 71279609 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HRUWSJORMVEFHG-JSGCOSHPSA-N 352.412 0.656 0 40 FCAB Cn1nc([C@@H]2C[C@@H](O)[C@@H](CNc3nc4ccccc4n3C)C2)n(C)c1=O 685941017 NVHZFRRUQLHJBP-YWPYICTPSA-N 356.430 0.972 0 40 FCAB COCc1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccc(F)c(F)c2)nn1 1549159181 HLECDCOJHXMEOO-ARFHVFGLSA-N 354.357 0.621 0 40 FCAB Cc1ncnc(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)c1C 1565551377 DGUHZPGPWCLEAT-UHFFFAOYSA-N 368.441 0.961 0 40 FCAB COc1cc(C(=O)N2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)on1 1614948259 XNRDPTIZHFUKJJ-LLVKDONJSA-N 373.431 0.386 0 40 FCAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(Cc2nccn2C)CC1 1772595198 BJKSGKKGXOOMGD-QGZVFWFLSA-N 372.517 0.580 0 40 FCAB c1cc(N2CCN(c3nccn4nccc34)CC2)nc(N2CCOCC2)n1 1889149151 KIZWLIJAAXAXST-UHFFFAOYSA-N 366.429 0.683 0 40 FCAB OC1[C@H](O)[C@H](OCc2ccccc2)C(O)[C@H](OCc2ccccc2)[C@H]1O 4100827 AWRJNSJYOXKKTK-PDENGGERSA-N 360.406 0.614 0 40 FCAB CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1 4270186 CPLYLBKWNVEUNR-UHFFFAOYSA-N 366.399 0.152 0 40 FCAB CN(C(=O)Cn1c(Cl)nc2c(=O)n(C)c(=O)n(C)c21)c1ccccc1 9581714 NWZAXWHWAGUXCU-UHFFFAOYSA-N 361.789 0.750 0 40 FCAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCc2sccc2C1 10923914 KDSKCLDQHLADAV-UHFFFAOYSA-N 370.228 0.946 0 40 FCAB CCc1nn(C)c(C(=O)NCc2cc(=O)[nH]c(N3CCOCC3)n2)c1C 19521065 VCSKXIFYCWCMCF-UHFFFAOYSA-N 360.418 0.141 0 40 FCAB CC(=O)N[C@@]12CCNC[C@@H]1CN(S(=O)(=O)Cc1cccc(F)c1)C2 19713623 MRXGOGZULHUHLU-GDBMZVCRSA-N 355.435 0.456 0 40 FCAB COc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc2c1OCCO2 24778394 PVAKFGWEUJYKOP-UHFFFAOYSA-N 370.427 0.574 0 40 FCAB CN(C)C(=O)[C@H]1CCCN1CCC(=O)N1CCN(c2ncccn2)CC1 32778041 SIMKUVNRZKPUEU-OAHLLOKOSA-N 360.462 0.068 0 40 FCAB COc1cc(CNC(=O)C2CN(S(C)(=O)=O)C2)cc(OC)c1OC 70817915 IOJPXWHYSARIAX-UHFFFAOYSA-N 358.416 0.220 0 40 FCAB CC1(C)C[C@@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCO1 72404658 XUOSMSMHOSDRSP-RYUDHWBXSA-N 371.459 0.226 0 40 FCAB C[C@@H](CNS(=O)(=O)c1ccc2c(c1)ncn2C)CN1CCN(C)CC1 79111068 XGUZITXOQOUCRQ-AWEZNQCLSA-N 365.503 0.735 0 40 FCAB CCOC(=O)Cc1csc(NC(=O)NC[C@@H](O)c2cnn(C)c2)n1 84793517 AKJITALWXYUXLI-LLVKDONJSA-N 353.404 0.837 0 40 FCAB CC(=O)N1CCN(C(=O)CN(CCN2CCOCC2)C2CCCC2)CC1 89954486 HYFJDOVPJPBWQK-UHFFFAOYSA-N 366.506 0.254 0 40 FCAB Cn1cnc(S(=O)(=O)N2Cc3cncn3[C@H](COCC3CC3)C2)c1 306124676 BWHVVNAUSMITEQ-AWEZNQCLSA-N 351.432 0.789 0 40 FCAB COCCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)C2CC2)CC1 306132819 LTAUXUUXAGXIQM-UHFFFAOYSA-N 361.446 0.619 0 40 FCAB CON(C)S(=O)(=O)c1cc(Br)cc2c1OCCNC2=O 585138551 AJBDODGKAUENID-UHFFFAOYSA-N 365.205 0.753 0 40 FCAB O=C(C(=O)N1C[C@@H]2C[C@H]1CN2)N1CCC(n2c(O)nc3ccccc32)CC1 633077216 XBPZQBRBFWRLCS-JSGCOSHPSA-N 369.425 0.478 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc3c(c2)COC3)C1 643695668 WDGYONSVSGKWBS-INIZCTEOSA-N 354.428 0.369 0 40 FCAB O=C(NCc1ccncc1)C1=NO[C@]2(CCCN(C(=O)c3cc[nH]n3)C2)C1 1146835393 UJTIXFBKVUKXLL-GOSISDBHSA-N 368.397 0.872 0 40 FCAB O=C([C@@H]1NCC[C@@H]1O)N1CCC2(CC1)CN(Cc1nccs1)CCO2 1565549164 MZTWTYUGZMNHCB-DZGCQCFKSA-N 366.487 0.059 0 40 FCAB Cn1cnc(C(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)n1 1565552528 YNHOALNANGBBCN-QGZVFWFLSA-N 369.385 0.600 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)c3cc(F)ncc3F)C[C@@H]2C1 1614929388 NOOGPZWSUGQGKR-BXKDBHETSA-N 361.370 0.092 0 40 FCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1ccccc1C 2332242029 RZHJVCYDIVTXLZ-FHWLQOOXSA-N 372.469 0.421 0 40 FCAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccco2)cc1 3339127 KMAGETLQGFLGMN-UHFFFAOYSA-N 366.395 0.726 0 40 FCAB C[C@@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCO)C1 4930448 QPYNXNKRWNDZLH-CHWSQXEVSA-N 363.462 0.294 0 40 FCAB CCN(C(=O)COC(=O)c1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 6611849 KUGVLNVYVHZAHX-LLVKDONJSA-N 360.819 0.927 0 40 FCAB CNC(=O)[C@@H]1CN(CC(=O)Nc2sccc2C(N)=O)c2ccccc2O1 7253848 SNYDMSLITUZSDN-ZDUSSCGKSA-N 374.422 0.799 0 40 FCAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCC[C@H](C(N)=O)C2)cc1 13056857 XUDOBXXNYRIPKB-LBPRGKRZSA-N 368.459 0.073 0 40 FCAB CN(C)CCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 13675863 BSXNHYIIVUSUDQ-UHFFFAOYSA-N 371.459 0.639 0 40 FCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566684 PJRFPGAZODKYNO-MLFYURDESA-N 357.410 0.586 0 40 FCAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCOCC2)C1 23212129 DSUWYTKZKMTWLS-OAHLLOKOSA-N 361.508 0.277 0 40 FCAB COc1ccc([C@@H]2CCCN2CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 25414745 OJSUTEGDFVGAOF-AWEZNQCLSA-N 372.425 0.695 0 40 FCAB COC(=O)CCN(C(=O)Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 32641514 XMJCSLAKOMJNSC-AWEZNQCLSA-N 369.439 0.817 0 40 FCAB CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NCCN1CCOCC1 89943633 JAYCPOKYVMZMPQ-HNNXBMFYSA-N 369.487 0.870 0 40 FCAB c1cc(CN2CCN(C[C@H]3CN=C(N4CCOCC4)S3)CC2)no1 95442015 KAHGLPOEKXDYFX-OAHLLOKOSA-N 351.476 0.596 0 40 FCAB CC(C)n1nc(CNS(C)(=O)=O)c2c1CN(C(=O)NC1CC1)CC2 96084254 GIIWDPYQWQZQCW-UHFFFAOYSA-N 355.464 0.743 0 40 FCAB C[C@@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1S(C)(=O)=O 96109818 MNQZEOMOAAUZNU-GFCCVEGCSA-N 356.448 0.358 0 40 FCAB CN1CCN(C(=O)C[C@H]2C[C@H]3CN(Cc4nccs4)C[C@H]3O2)CC1 96215037 SPBUQEUEPUNXSW-RRFJBIMHSA-N 350.488 0.897 0 40 FCAB COCC(=O)N1CC[C@]2(COCc3c(C)nc(N4CCOCC4)nc32)C1 96244610 NCXWNZMXJADCRC-GOSISDBHSA-N 362.430 0.268 0 40 FCAB COc1ccc(S(=O)(=O)NCC(=O)NCc2cccnc2)cc1OC 243705039 PMENSTHKGHGDGX-UHFFFAOYSA-N 365.411 0.694 0 40 FCAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1)c1cnco1 257222239 DSNKICOVJDNULL-LMSBXDPUSA-N 373.409 0.686 0 40 FCAB COc1ccc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N(C)[C@H]3CC2)cc1 257260386 LCQCHCAJQHHFSW-GJZGRUSLSA-N 354.428 0.706 0 40 FCAB CCn1cc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)cn1 306143238 XWXMTMCIBLIUMU-ZIAGYGMSSA-N 355.446 0.691 0 40 FCAB C[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)C[C@H]1C(=O)O 566007694 NXXXNDCMPZJMOD-JHJVBQTASA-N 361.464 0.553 0 40 FCAB O=S1(=O)CC[C@H](N(CCO)S(=O)(=O)c2cccc3cccnc23)C1 575425902 IQRKFVVCCGPNCY-ZDUSSCGKSA-N 370.452 0.405 0 40 FCAB Cn1cc(O[C@@H]2CN(S(=O)(=O)Cc3cccc(F)c3)C[C@H]2O)cn1 625313620 MYCHXYFUYZOYCG-HUUCEWRRSA-N 355.391 0.513 0 40 FCAB C[C@]1(C2CCN(C(=O)[C@H](C(=O)O)C3CCCC3)CC2)NC(=O)NC1=O 663061328 GRIHWJQQJCBPQT-SJKOYZFVSA-N 351.403 0.714 0 40 FCAB COCC(=O)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)[C@@H](OC)C1 2037971358 VGLSZSOKXPPEJC-HHXXYDBFSA-N 367.442 0.614 0 40 FCAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(S(=O)(=O)N(C)C)C2 2055814177 GGPZJZHKSDDWSO-AWEZNQCLSA-N 358.489 0.277 0 40 FCAB OC[C@@H](O)[C@H](O)[C@@H](O)c1nn(-c2ccccc2)c2nc3ccccc3nc12 1581856 LABBLXXRSWREEJ-JLSDUUJJSA-N 366.377 0.716 0 40 FCAB COc1cc(OC)cc(-n2c(=O)c3sccc3n(CC(N)=O)c2=O)c1 2466823 AYUWZWLRDBYBJC-UHFFFAOYSA-N 361.379 0.716 0 40 FCAB CCOC(=O)N1CCC(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CC1 4991959 LAQBVXSPDDEIAL-JRATXPSKSA-N 350.371 0.474 0 40 FCAB O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NC[C@H]1CCCO1 12440003 YLKNVMDISZOEFU-GFCCVEGCSA-N 362.411 0.921 0 40 FCAB COc1ccc(NC(=O)[C@@H]2CC(=O)NC3=NC(=C(C)C)NN32)c(OC)c1 14607194 CQHMBLKTFVEXMS-LBPRGKRZSA-N 359.386 0.958 0 40 FCAB O=C(C[C@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(O)cc1 22996954 IYHXYUDYDHKJMN-HNNXBMFYSA-N 351.403 0.486 0 40 FCAB CS(=O)(=O)N1CCCN(CC(=O)N2CCc3sccc3C2)CC1 24926386 NVZVECIDRJXYMM-UHFFFAOYSA-N 357.501 0.600 0 40 FCAB O=C(CCn1ncc(=O)c2ccccc21)N1CCN(c2cnccn2)CC1 40039623 RHTFOKNBQGJHML-UHFFFAOYSA-N 364.409 0.925 0 40 FCAB CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 40061020 WINUVWTWLPPPEN-AWEZNQCLSA-N 350.467 0.545 0 40 FCAB CCOC(=O)c1c(C)n[nH]c1S(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 40151531 YHRHDABJABITGO-NSHDSACASA-N 373.431 0.859 0 40 FCAB O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2[nH]1 46704607 ZUHMMZULHVQGQE-UHFFFAOYSA-N 359.411 0.762 0 40 FCAB COC(=O)c1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(Cl)c1 48264672 XKWIDFATWCHVBE-JTQLQIEISA-N 361.803 0.809 0 40 FCAB CCOc1ccc(OCCNC(=O)CSc2n[nH]c(=O)n2C)cc1 57935141 JGNKLSYANLFSIK-UHFFFAOYSA-N 352.416 0.794 0 40 FCAB C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)COCC(F)(F)F)CC1 88212263 DUFZILFMPNQWLK-LBPRGKRZSA-N 351.369 0.720 0 40 FCAB CN(CC(=O)NC1CC1)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 96005078 TXDYGOLCFUOEMX-OAHLLOKOSA-N 371.503 0.708 0 40 FCAB Cc1n[nH]c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C(=O)O 96517047 HCYRAMOWDFIWRL-UHFFFAOYSA-N 374.419 0.658 0 40 FCAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)NC 100890160 UHPKYGKKTCGZIJ-UHFFFAOYSA-N 368.386 0.169 0 40 FCAB CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(F)c2)Cc2ccnn21 247913898 APIYZBYOORMUKK-ZDUSSCGKSA-N 368.390 0.522 0 40 FCAB O=C(c1ccco1)N1CC[C@]2(Cc3nn(CC4CC4)c(=O)c(=O)n3C2)C1 306137721 RDWOTAQUHQJNQF-SFHVURJKSA-N 356.382 0.497 0 40 FCAB CN1C(=O)C[C@@H](NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1=O 328851684 ZTUXHIAPWSNCDT-LLVKDONJSA-N 363.798 0.503 0 40 FCAB CC(C)CN(CC(=O)NCc1ccccc1)C[C@@H]1COC[C@@H](O)[C@H]1O 585291151 LHDCJQPPNMOCQG-LMMKCTJWSA-N 350.459 0.629 0 40 FCAB CC(=O)c1cc(C(=O)N2CC[C@H]3OCCN(CCN(C)C)[C@@H]3CC2)n[nH]1 1565546169 WJRAHBVZHCYGGP-IAGOWNOFSA-N 363.462 0.479 0 40 FCAB COC1(CC(=O)N2C[C@@H]3OC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)CCC1 1565548478 DSGRXVKZHVICDR-KKUMJFAQSA-N 352.431 0.973 0 40 FCAB O=C1CO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1cncnc1 1614927284 GOUAROUPWZRVBO-INIZCTEOSA-N 364.377 0.330 0 40 FCAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(C(=O)C3CCC3)CC2)[nH]1 2055713218 IASQXKZLRGNPEL-UHFFFAOYSA-N 356.430 0.795 0 40 FCAB O=C(Cn1ccccc1=O)N1C[C@@H]2OCCN(Cc3ccncc3)[C@@H]2C1 2055750633 LETOKJARJSKMEB-SJORKVTESA-N 354.410 0.355 0 40 FCAB Cn1nc(N2CCN([C@H]3CCN(CC(F)(F)F)C3=O)CC2)ccc1=O 2086805479 DENDJVQSGHKTAZ-NSHDSACASA-N 359.352 0.066 0 40 FCAB C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NC(=O)NCc1ccco1 3476003 FUDGVRLIGFTKLK-GFCCVEGCSA-N 373.365 0.967 0 40 FCAB CCOc1ccccc1C(=O)OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 5630758 BPSJXKQVINIJCX-LBPRGKRZSA-N 355.412 0.888 0 40 FCAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCC1 7016477 LAFULLILWMRINZ-UHFFFAOYSA-N 366.439 0.863 0 40 FCAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NC(=O)Cc1ccccc1 7738696 SOEKHDHYSPYVQG-UHFFFAOYSA-N 365.345 0.965 0 40 FCAB Nc1ccccc1S(=O)(=O)Nc1c(N)nc(SCC(=O)O)nc1O 8651779 AJJBCHXNAORZDI-UHFFFAOYSA-N 371.400 0.324 0 40 FCAB CCONC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 11608463 AMYRLIPFVXKPJU-UHFFFAOYSA-N 371.415 0.425 0 40 FCAB Cn1c(CNC(=O)[C@@H]2CCCO2)nc2cc(NS(C)(=O)=O)ccc21 13733533 YJNZZSHFCRBICC-ZDUSSCGKSA-N 352.416 0.740 0 40 FCAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCCCN1CCCC1=O 13930281 VLWYSQZMXDNMNG-UHFFFAOYSA-N 371.393 0.814 0 40 FCAB Cc1c(NC(=O)CN2CCN(C)C(=O)[C@@H](Cc3ccccn3)C2)cnn1C 19696841 PCLDFOLBENLTTJ-HNNXBMFYSA-N 370.457 0.695 0 40 FCAB CC[C@@H](C)NC(=O)CN1CCN(Cn2nnc3ccccc3c2=O)CC1 22934075 BMQQRZYYXTVBKZ-CQSZACIVSA-N 358.446 0.281 0 40 FCAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CC[C@H]2NC(=O)NC2=O)c(F)c1 25385613 UCORCWLTOXLRMQ-BXKDBHETSA-N 351.334 0.993 0 40 FCAB O=C(CC[C@@H]1NC(=O)NC1=O)NCC1(c2ccc(F)cc2)CCOCC1 56251299 FGDSKPYKIKFUKG-AWEZNQCLSA-N 363.389 0.978 0 40 FCAB CNC(=O)CCN(C)CC(=O)NCc1cc(OC)c(OC)c(OC)c1 65504097 IZGCCTFZGBPYDJ-UHFFFAOYSA-N 353.419 0.397 0 40 FCAB CN(C)C(=O)CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 95999838 WMCHLFAQPCUSMS-OAHLLOKOSA-N 367.471 0.641 0 40 FCAB CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cc1 97013275 SQXNBIVBZSAZSD-CYBMUJFWSA-N 370.456 0.885 0 40 FCAB Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)NC1CCCCC1 97164771 UERVWNZTDPWMJH-UHFFFAOYSA-N 362.477 0.655 0 40 FCAB CC(=O)N1CCN(c2c(NC[C@@H](c3ccccc3)N(C)C)c(=O)c2=O)CC1 101701650 VWOLXZWVTJQFSD-INIZCTEOSA-N 370.453 0.666 0 40 FCAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](O)Cn1ccccc1=O 206888629 SVTHNKKQHGBERP-AWEZNQCLSA-N 364.423 0.189 0 40 FCAB CCN1C(=O)COc2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc21 227161901 GGYCZXZOYVZDOD-UHFFFAOYSA-N 367.427 0.285 0 40 FCAB Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)c4cccnc4)C3)nc2n(C)c1=O 257294237 QTDPWVXOLWZDEP-CYBMUJFWSA-N 365.393 0.657 0 40 FCAB Cn1cc(-c2ccc(F)c(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c2)cn1 542958134 ZNPQSAFIWJDNPH-CYBMUJFWSA-N 366.418 0.990 0 40 FCAB CN(C1=NS(=O)(=O)c2ccccc21)C1CN(c2ccc3nncn3n2)C1 585592540 IAZLOTLGUCEFGQ-UHFFFAOYSA-N 369.410 0.394 0 40 FCAB Cc1c([C@@H]2[C@@H](C(=O)NCCn3ccnc3)CC(=O)N2C2CC2)cnn1C 666353239 QPKMEPMRWGUEFE-YOEHRIQHSA-N 356.430 0.793 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 681943203 UMHCJNDIPVTUHW-GOSISDBHSA-N 374.437 0.878 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2n[nH]c3ccccc23)CCO1 681944458 YPOXXONPJWYULL-ZDUSSCGKSA-N 374.397 0.266 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cncc(Cl)c3C)C2)C1 685942851 RODRHXLWOSTCPC-JTQLQIEISA-N 350.806 0.462 0 40 FCAB O=C(CN1CC[C@@H]2CN(C(=O)c3csc(O)n3)C[C@@H]2C1)N1CCC1 1088075120 SVFIKXGWCGJREL-NEPJUHHUSA-N 350.444 0.475 0 40 FCAB CCn1nccc1C(=O)N1CCO[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037984432 BEQJRTAUVSMZLH-KRWDZBQOSA-N 350.419 0.381 0 40 FCAB O=C([C@@H]1CN(c2ccncc2Br)CCO1)N1CCOCC1 2086847970 HNKVBYWXAMORNI-ZDUSSCGKSA-N 356.220 0.908 0 40 FCAB O=C(CSc1nc(O)cc(O)n1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 1323577 ZIMRYGMCZYKLBF-GHMZBOCLSA-N 374.422 0.788 0 40 FCAB CCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 4554008 HJMACQWMNUHRSG-CQSZACIVSA-N 367.471 0.872 0 40 FCAB COc1ccccc1N1CCN(C(=O)CCC(=O)N2CCOCC2)CC1 6954979 OXFQSJYTLHBTBG-UHFFFAOYSA-N 361.442 0.983 0 40 FCAB Cn1nnnc1SCC(=O)N1CCN(C(=O)c2cccs2)CC1 7449771 RTLFPLBLUJHTLA-UHFFFAOYSA-N 352.445 0.348 0 40 FCAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 8315231 ZMPLYQFVVNEBHL-INIZCTEOSA-N 355.398 0.731 0 40 FCAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(C)cc1 13494763 SRHQKOHPCMHGQF-LBPRGKRZSA-N 373.413 0.603 0 40 FCAB Cn1nnc2c(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)ncnc21 13534487 OEWUQGQWHZICEX-UHFFFAOYSA-N 373.442 0.410 0 40 FCAB Cc1cnn(CC(=O)N2CCCC[C@H]2CCNS(=O)(=O)N(C)C)c1 19748959 OPKBBVGAUXHELQ-AWEZNQCLSA-N 357.480 0.359 0 40 FCAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)C(=O)NC[C@H]1CCCO1 22769481 OTWYPHHYZVUPIX-KGLIPLIRSA-N 351.403 0.064 0 40 FCAB Cn1c(=O)c2c(ncn2Cc2ccc(C(=O)N3CCCC3)cc2)n(C)c1=O 24700722 NTGLLKHWJFNSNS-UHFFFAOYSA-N 367.409 0.718 0 40 FCAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1nc(N)nc(N)n1 32858158 MWPJVHXAVGHPQW-UHFFFAOYSA-N 370.442 0.972 0 40 FCAB CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](F)[C@@H]1OC(C)=O 34449114 LIPVVBXVHVLOLU-ITGHMWBKSA-N 350.295 0.039 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)COc2ccc3c(c2)C(=O)CC3)CC1 36708238 MSXCJLWOHNXPNN-UHFFFAOYSA-N 352.412 0.298 0 40 FCAB CN(CC(=O)Nc1ccc2c(c1)NC(=O)CO2)[C@H]1CCS(=O)(=O)C1 40071124 PWQLWCANUTYKQD-NSHDSACASA-N 353.400 0.075 0 40 FCAB C[C@@H]1CN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CCO1 48290118 IRAWZGPXSWFHRR-SJKOYZFVSA-N 357.410 0.709 0 40 FCAB COc1nn(C)cc1C(=O)Nc1nc2c(s1)CN(S(C)(=O)=O)CC2 77155361 GLTDXYOPXKZRCE-UHFFFAOYSA-N 371.444 0.455 0 40 FCAB Cn1cnn(-c2ccc(NCc3cnc(N4CCOCC4)nc3)cc2)c1=O 92440280 VUTASEHDGOXNGS-UHFFFAOYSA-N 367.413 0.810 0 40 FCAB CCS(=O)(=O)N1CCOC[C@@]2(CC[C@H](Cn3nc(C)nc3C)O2)C1 96100471 OYTAMDDEBSGNLF-HUUCEWRRSA-N 358.464 0.495 0 40 FCAB CS(=O)(=O)N1CCc2cc(C(=O)NCCSc3ncn[nH]3)ccc21 225842660 HIHIADLWUIVHOG-UHFFFAOYSA-N 367.456 0.649 0 40 FCAB Cc1cccc(S(=O)(=O)NCC(=O)N2CC(Nc3ncccn3)C2)c1 238865239 LPYWQPRSTMXSST-UHFFFAOYSA-N 361.427 0.386 0 40 FCAB C[C@@H](Oc1ccc2c(c1)CCCNC2=O)C(=O)N[C@H]1CCS(=O)(=O)C1 270893664 HWOSPUVTWKMJDQ-YPMHNXCESA-N 366.439 0.433 0 40 FCAB CCN(CC)S(=O)(=O)N[C@H]1CCCCN(Cc2nc(C)no2)C1=O 585088444 MPUJOTJJETVBKX-LBPRGKRZSA-N 359.452 0.435 0 40 FCAB Cc1noc([C@H]2CN(C(=O)N[C@H](C)C3(S(C)(=O)=O)CC3)C[C@@H](C)O2)n1 585123222 FYFLFPPEVFQPDW-CKYFFXLPSA-N 372.447 0.815 0 40 FCAB COCCc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCOCC2)n1 604382214 LAZUPRQMZMEZJY-BRSBDYLESA-N 365.474 0.335 0 40 FCAB biogenic,in-vitro O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(N2C(=O)COCC2=O)CC1 675008254 MBAYYMKZYPTVDZ-DUXPYHPUSA-N 372.377 0.805 0 40 FCAB O=C(CC1(O)CCC1)N1CCOC[C@@]2(C1)CN(CC1CC1)C(=O)CO2 1565547136 KXDVLTRVWGCESN-GOSISDBHSA-N 352.431 0.158 0 40 FCAB O=C(c1ncccc1F)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888901288 ACXOTKGQMPJGOZ-VXGBXAGGSA-N 353.361 0.867 0 40 FCAB CN1C[C@]2(COCC1=O)CN(C(=O)CCc1ccc(F)cc1)CCO2 2037985510 MFWMKYGRXFBGOY-GOSISDBHSA-N 350.390 0.845 0 40 FCAB CCCn1nc(C(=O)OCC(=O)N2CCOCC2)c2ccccc2c1=O 3563117 RRJHFBKVTQJYCD-UHFFFAOYSA-N 359.382 0.822 0 40 FCAB CNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 4519239 VQQIHLWLBHRBPJ-ZDUSSCGKSA-N 354.359 0.796 0 40 FCAB Cc1nc2nc(CCNS(=O)(=O)c3c(C)noc3C)cn2nc1C 6665361 YMFYALRMCSDMQA-UHFFFAOYSA-N 350.404 0.867 0 40 FCAB Cc1cc(=O)n2c(n1)NC(N1CCN(CCO)CC1)=N[C@H]2[C@@H]1CC=CCC1 9289584 KGWUXHJYMMWTBP-NVXWUHKLSA-N 372.473 0.798 0 40 FCAB CN1C(=O)c2cccc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)c2C1=O 13791343 SALKZLOMLQCTIC-JTQLQIEISA-N 365.411 0.523 0 40 FCAB NC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)C1 23653549 RJSZGHDMLANUPW-ZDUSSCGKSA-N 352.460 0.958 0 40 FCAB CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1 25145630 YNFFQIMUHNVEGZ-UHFFFAOYSA-N 354.363 0.755 0 40 FCAB O[C@@H](CN1CCOCC1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 25539659 IYGSAZXXCJDWPZ-QGZVFWFLSA-N 363.458 0.226 0 40 FCAB CCNS(=O)(=O)c1cccc(C(=O)NCc2nnc3ccccn23)c1 32524205 CVLJUZXLDDLBAK-UHFFFAOYSA-N 359.411 0.958 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)CCc2ccc3c(c2)OCO3)CC1 32771064 MFZKREIPMXKXTQ-UHFFFAOYSA-N 354.428 0.888 0 40 FCAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2nnn(-c3cccs3)c2=O)C1 32869803 PHWJNPOZSDUFEZ-NSHDSACASA-N 365.415 0.292 0 40 FCAB CS(=O)(=O)NCCCNC(=O)Nc1cccc(N2CCOC2=O)c1 40105005 XVRICORMWLQNJU-UHFFFAOYSA-N 356.404 0.704 0 40 FCAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H]3CCCCNC3=O)ccc21 45741425 XJDFKKYRRQUUEV-OAHLLOKOSA-N 365.455 0.933 0 40 FCAB C[C@H]1CN(CCNS(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@H](C)O1 58277612 HNKBQRRTBWRUJQ-STQMWFEESA-N 366.447 0.050 0 40 FCAB O=C(c1ccco1)N1CCN(C(=O)C2(n3cnnn3)CCCCC2)CC1 72403758 ROPDOPKVEXIGLN-UHFFFAOYSA-N 358.402 0.910 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2cccn2C)cc1 75155086 XICNZRFWKYQDOC-OAHLLOKOSA-N 351.428 0.739 0 40 FCAB Cc1cc(C(=O)N2CCC3(CC2)O[C@H](C(=O)N(C)C)Cn2ccnc23)no1 96243572 GFUDQRATJATJQU-AWEZNQCLSA-N 373.413 0.798 0 40 FCAB Cc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCOCC3)c2=O)c(C)c1 222660178 BMNRSLQRJFAJMZ-UHFFFAOYSA-N 359.382 0.673 0 40 FCAB Cc1ccoc1C(=O)N1Cc2cncn2[C@@H](CCNS(C)(=O)=O)C1 253477897 IBFVMTBTEVTTGZ-LBPRGKRZSA-N 352.416 0.921 0 40 FCAB COCCCn1ccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)n1 265541469 OXHSGOZMZCFAOP-LBPRGKRZSA-N 359.452 0.465 0 40 FCAB CC(C)S(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cccnc3)[C@H]2C1 575402510 BUZKZWLINDXOND-RRFJBIMHSA-N 353.444 0.496 0 40 FCAB O=C1CC[C@H](C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)CN1 575615119 BVDLFUGCLROMHM-NSHDSACASA-N 365.817 0.703 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)Cc3ccccn3)C[C@@H]21 585110228 ZDBHFQVTSAUHDH-GXTWGEPZSA-N 355.398 0.008 0 40 FCAB CN1C[C@]23CN(C(=O)CCc4ccccc4F)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565550063 OGWMCDLZOWGESB-KMFMINBZSA-N 368.430 0.772 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)N1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1 1888913830 PXAXUFTZYROEKY-OKILXGFUSA-N 365.393 0.979 0 40 FCAB Cc1cccc(CC(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)c1 1889116266 JQIFGBWMLLIFDT-UHFFFAOYSA-N 370.453 0.720 0 40 FCAB COC(=O)Cn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O 4317121 WJHHNBWYJPSYQT-UHFFFAOYSA-N 354.322 0.781 0 40 FCAB CC[C@H](C)N(C(=O)CSc1nc(N)cc(N)n1)[C@@H]1CCS(=O)(=O)C1 5229272 LUZTXFJJNGGOEY-VHSXEESVSA-N 373.504 0.547 0 40 FCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 6139090 FWTUCEZBNAHRMI-LBPRGKRZSA-N 360.457 0.001 0 40 FCAB COC(=O)c1ccc(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 7393140 VEYJWVGUPKQBGX-GFCCVEGCSA-N 371.411 0.506 0 40 FCAB CNC(=S)N1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(C)=O)CC1 13556073 PXJLHYBCMUICAL-MRXNPFEDSA-N 362.499 0.819 0 40 FCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022079 AWHPEGKWPUMIRZ-AKLPEDPISA-N 370.409 0.081 0 40 FCAB Cc1nnc(NC(=O)CS(=O)(=O)CC(=O)Nc2ccccc2)s1 20162156 FURXHUKIGXBBKJ-UHFFFAOYSA-N 354.413 0.839 0 40 FCAB COc1cccc(OC)c1C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 22681553 UZYGXCLIODBYCY-LBPRGKRZSA-N 364.398 0.940 0 40 FCAB Cn1c(=O)n(CC(=O)N2CCCC2)c(=O)c2ccc(C(F)(F)F)nc21 31451117 YIFTZAKNQLCWIG-UHFFFAOYSA-N 356.304 0.736 0 40 FCAB COc1ccc(NC(=O)CN2CCN(CC(=O)N(C)C)CC2)cc1OC 32542898 VFLZQLVXWMNFCO-UHFFFAOYSA-N 364.446 0.348 0 40 FCAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCCC1 58183329 PUGIDEXRWRRDJI-GFCCVEGCSA-N 374.484 0.688 0 40 FCAB CC[C@@H](C)C(=O)NCC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 58216773 FJVHKEAPRKDOBC-CQSZACIVSA-N 371.445 0.473 0 40 FCAB C[C@@H](C(=O)NC1CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326342 APTZVOHAMXJLGT-BBATYDOGSA-N 357.414 0.613 0 40 FCAB CN(C)C(=O)[C@]12CCCN(S(C)(=O)=O)C[C@H]1CN(c1ccccn1)C2 96251267 UDCKRFGYDSHUKW-PBHICJAKSA-N 366.487 0.648 0 40 FCAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccc(F)cc1F 96316513 SFHHWVOPORIVMX-CYBMUJFWSA-N 373.425 0.708 0 40 FCAB Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)O)O[C@@H](C)C(=O)N2 101279911 GGQWMODILPLPKW-ONGXEEELSA-N 354.384 0.952 0 40 FCAB CCS(=O)(=O)N(C)CC(=O)Nc1cc(S(=O)(=O)NC)ccc1C 225958418 GUJQRHCYGUQFAB-UHFFFAOYSA-N 363.461 0.123 0 40 FCAB CN(C)Cc1cnc([C@@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)[nH]1 257248744 JEZWBYOECATWFR-CYBMUJFWSA-N 355.508 0.685 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)Cn2c(COC)nc3ccccc32)CCN1C 257296473 RCZIYCSAAOMSLG-OAHLLOKOSA-N 359.430 0.071 0 40 FCAB CN(C)C(=O)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306133283 MHKQGAXLUARNHU-ZDUSSCGKSA-N 353.444 0.769 0 40 FCAB CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)[C@H]2CC3CCC2CC3)nn1 408497231 RERCBQSOKLIIHQ-XIVSLSHWSA-N 369.447 0.005 0 40 FCAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCO)cc1Cl 408590377 GMOZEUBVOIIWCI-SECBINFHSA-N 350.824 0.514 0 40 FCAB COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCc3c[nH]nc3C2)cc1 611007839 RVCVADBOECTQTQ-UHFFFAOYSA-N 371.397 0.832 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)CCO1 681944251 WMOYSHPBCOZNQA-ZDUSSCGKSA-N 362.386 0.128 0 40 FCAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O 1100531 LNRLJRLUKDNXKR-SNVBAGLBSA-N 373.390 0.957 0 40 FCAB C[C@H](Sc1n[nH]c(=O)n1C[C@@H]1CCCO1)C(=O)NC(=O)NC(C)(C)C 7301427 HKGWZDHASIUZEF-UWVGGRQHSA-N 371.463 0.855 0 40 FCAB COCCCn1c(SCC(=O)NC(=O)NCCC(C)C)n[nH]c1=O 7348078 OPMUNBPOSVGVKQ-UHFFFAOYSA-N 359.452 0.572 0 40 FCAB CC(C)NC(=O)CNC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 8936693 RVGZDPKDDFZWLB-UHFFFAOYSA-N 352.435 0.662 0 40 FCAB Cc1c(CC(=O)N[C@@H]2C=CS(=O)(=O)C2)c(=O)oc2cc(O)cc(O)c12 9052087 GUNYYYLSXUQCLA-SECBINFHSA-N 365.363 0.482 0 40 FCAB COc1ccc(N([C@@H](C)C(=O)NCCCN(C)C)S(C)(=O)=O)cc1 13646732 ZBSASFPCAVSGDC-ZDUSSCGKSA-N 357.476 0.918 0 40 FCAB O=C(CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)NC1CC1 19374707 UXRLAFVMQZLOCS-LJQANCHMSA-N 357.410 0.839 0 40 FCAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)NCC(F)(F)F)CC1 22913807 SRSSEFSGOGOSMH-UHFFFAOYSA-N 352.401 0.587 0 40 FCAB Cc1cc(C)n2nc(C(=O)N3CCC(CN4CCOCC4)CC3)nc2n1 40118566 LVGNYSXAMHJUSU-UHFFFAOYSA-N 358.446 0.926 0 40 FCAB CCN1C(=O)C(=O)N(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1=O 54446070 DUPJICKBICCLQO-UHFFFAOYSA-N 368.275 0.992 0 40 FCAB CCOC(=O)N1CCc2nn(CC(=O)NCc3ccco3)c(=O)cc2C1 67319086 LHVGAFAVYDOHKR-UHFFFAOYSA-N 360.370 0.667 0 40 FCAB COc1ccc(Cn2c(=O)c3c(nc4n3CC(C)=NN4)n(C)c2=O)cc1 72236026 OORXSSAWPUXJMK-UHFFFAOYSA-N 354.370 0.755 0 40 FCAB Cc1nc(N2CCCC[C@H]2CCNS(C)(=O)=O)c2cnn(C)c2n1 75103479 QPTVIEJGRLXDPU-LBPRGKRZSA-N 352.464 0.970 0 40 FCAB O=C(C[C@@H]1COC[C@H]2CN(CC3CCOCC3)C[C@@H]12)N1CCOCC1 96057243 CYYLIGBHBLGAOG-KURKYZTESA-N 352.475 0.856 0 40 FCAB CCCNC(=O)CNC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102892045 YDKFYPSOAIEBDW-QLFBSQMISA-N 363.458 0.995 0 40 FCAB O=C(O)c1[nH]c(=O)n(-c2ccccc2Cl)c(=O)c1CN1CCOCC1 222664214 IUTCSKANVKNIRQ-UHFFFAOYSA-N 365.773 0.710 0 40 FCAB CCn1cc(Cl)c(C(=O)NCCn2c(=O)[nH]c3ncccc3c2=O)n1 225795009 LBOUGOREEWJWLC-UHFFFAOYSA-N 362.777 0.385 0 40 FCAB CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(C3COC3)CCN21 253400912 MDYWSVKGTPKBOK-HNNXBMFYSA-N 365.499 0.855 0 40 FCAB biogenic,in-vitro CN(C(=O)Cc1ccsc1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257203383 APTZCCJCYGLKRY-CKEIUWERSA-N 351.472 0.463 0 40 FCAB Cn1nccc1C(=O)N[C@@H]1CC[C@H](O)[C@H](O)[C@H]1N1CCc2ccccc2C1 257337158 YRRDXICIAWRZLR-BVBHFADKSA-N 370.453 0.461 0 40 FCAB CN[C@H]1CC2(CCN(C(=O)CCCn3ccnc3)CC2)OC[C@]1(C)O 257337753 YUFATPOELDOVBB-RDJZCZTQSA-N 350.463 0.784 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C)CC2)cc1C 408598006 YRHPRQCOUQPAIH-ZDUSSCGKSA-N 355.460 0.444 0 40 FCAB O=C(O)[C@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CCOC1 548535555 JKBOBWPLTADYLZ-BXUZGUMPSA-N 351.384 0.640 0 40 FCAB Cc1n[nH]c(C)c1S(=O)(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1 585590257 MRGXNQGTRILRQB-UHFFFAOYSA-N 362.459 0.815 0 40 FCAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(CN2C(=O)CCC2=O)C1 606440589 HDWPLVWUTSXHCD-LLVKDONJSA-N 360.366 0.790 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2C[C@H]3CC[C@H]2[C@H](CO)C3)C1 661181266 LPOGZQPUWXLQKV-XQLPTFJDSA-N 374.507 0.060 0 40 FCAB CN(C)C(=O)COCc1cncc2c1CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565553301 SOSXATVGYISCRP-VQFNDLOPSA-N 359.426 0.464 0 40 FCAB Cc1cc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)n2ncnc2n1 1889211645 LBXGJEUXXZFUJB-UHFFFAOYSA-N 362.401 0.735 0 40 FCAB CC(C)(C)NC(=O)NC(=O)COC(=O)Cn1cnc2ccccc2c1=O 3365116 KZMIIJKTOIXAGF-UHFFFAOYSA-N 360.370 0.564 0 40 FCAB CNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 4554002 SVDBJJSXVHVPOL-CYBMUJFWSA-N 353.444 0.482 0 40 FCAB Cc1cc(NC(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)no1 4942204 HKNVBIOVNJAZPE-UHFFFAOYSA-N 361.383 0.659 0 40 FCAB O=C(O)CCCNC(=O)NCC1=N[C@H]2[C@@H](C=NN2c2ccccc2)C(=O)N1 13689725 HVWJCHWXPLEGOA-IUODEOHRSA-N 372.385 0.127 0 40 FCAB COc1ccc(S(=O)(=O)N2CC[C@@]3(NC(C)=O)CN(C)C[C@H]3C2)cc1 19713091 LMKOTRQWYPDWCZ-WMLDXEAASA-N 367.471 0.526 0 40 FCAB Cc1cccc(C)c1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O 20567905 OPHFKRGTQRWTSB-UHFFFAOYSA-N 369.487 0.518 0 40 FCAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2nncs2)cc1OC 21214365 WMCKZVLCLPBFFC-UHFFFAOYSA-N 372.428 0.862 0 40 FCAB COc1ccc(OC)c(S(=O)(=O)NCCCn2ncccc2=O)c1 23137460 RBAIZDXEDFEVTN-UHFFFAOYSA-N 353.400 0.629 0 40 FCAB O=C(Nc1ccccc1O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 24750241 IUAYHMCZFIOHBC-JTQLQIEISA-N 351.384 0.496 0 40 FCAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CC[C@@H]2NC(=O)NC2=O)c(F)c1 25385604 UCORCWLTOXLRMQ-SKDRFNHKSA-N 351.334 0.993 0 40 FCAB COc1cc(C(=O)NCCNC(=O)c2ccccc2)ccc1OCC(N)=O 31030927 GNAIJSBZUPUMSJ-UHFFFAOYSA-N 371.393 0.719 0 40 FCAB Cc1nc(S(=O)(=O)Cc2cc(=O)n(C)c(=O)n2C)n(CC(C)C)c1C 40152217 GJTKWKTTYNWOIV-UHFFFAOYSA-N 368.459 0.527 0 40 FCAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCCC(=O)O)cc2)C1=O 61993537 GFQFIPRRKGUBGD-SNVBAGLBSA-N 354.384 0.594 0 40 FCAB COc1ccc(Cc2ncc3c(n2)CN(C(=O)[C@@H](N)CC(=O)O)C3)cc1 67804698 ZBEVDBPTXWMXBY-AWEZNQCLSA-N 356.382 0.720 0 40 FCAB Cc1ncsc1C(=O)N1CCOC[C@H]1c1[nH]ncc1S(C)(=O)=O 257247448 IZBYPLMMNZCQOJ-VIFPVBQESA-N 356.429 0.792 0 40 FCAB Cn1cc(CN2CC[C@@]3(CCn4ncnc4[C@H]3NC(=O)C3CC3)C2)cn1 306124776 BZHFUKZXAYUEQR-CRAIPNDOSA-N 355.446 0.875 0 40 FCAB C[C@@H](CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)S(N)(=O)=O 330591183 OHCXIOKUNHNOIJ-NKWVEPMBSA-N 354.354 0.327 0 40 FCAB COc1cc(C(=O)N2CCC(C(=O)NCCO)CC2)cc(OC)c1OC 409014065 DUPOUIWHIGXMJQ-UHFFFAOYSA-N 366.414 0.673 0 40 FCAB O=C(c1ccc(-n2ccnc2)nn1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 531005702 QIYWJMVQFARLLT-KBPBESRZSA-N 361.427 0.844 0 40 FCAB CN1C[C@]2(COCC1=O)CN(C(=O)c1cc(C3CC3)on1)C[C@H]2N(C)C 1565550688 GRNFWGUDLOVLNB-CRAIPNDOSA-N 362.430 0.413 0 40 FCAB COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)c1csc(C)n1)CC2 1565551574 HUQKJPFBZZJJJJ-LLVKDONJSA-N 363.443 0.942 0 40 FCAB COCCn1cnc2c(c1=O)OCCN(C(=O)CC1(OC)CCC1)C2 1565555041 ORUZXPVFYPQDIE-UHFFFAOYSA-N 351.403 0.570 0 40 FCAB COc1ccccc1CN(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 5071519 RWGLPACPLZIGOL-UHFFFAOYSA-N 371.397 0.101 0 40 FCAB O=C(CSc1nnnn1-c1ccccc1)NCCCN1CCCC1=O 5978728 ZYUHODLHHCMMDA-UHFFFAOYSA-N 360.443 0.883 0 40 FCAB CN(C(=O)CSc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 6097757 BHFWDKQDESZAEF-LLVKDONJSA-N 358.489 0.742 0 40 FCAB CCS(=O)(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C 10119395 LPUFODDJADCLGC-GFCCVEGCSA-N 374.484 0.808 0 40 FCAB CCn1nc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c2ccccc2c1=O 10871940 ANTGMELQLMYXDX-UHFFFAOYSA-N 370.365 0.171 0 40 FCAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCC(=O)N1CCCC1 12798494 IVJVDFWFRYYQJP-UHFFFAOYSA-N 369.443 0.944 0 40 FCAB O=C1OCC[C@@H]1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12910764 ASIPNEAOKSPEDM-ZDUSSCGKSA-N 368.411 0.080 0 40 FCAB C[C@H]1C[C@@H]1C(=O)NCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12925863 ZEZJDJRNUDDCIZ-YOEHRIQHSA-N 372.469 0.978 0 40 FCAB O=C(NC1CCN(C(=O)C2CC2)CC1)N1CCN(c2ncccn2)CC1 12981729 BEZUBBWUPAWUDU-UHFFFAOYSA-N 358.446 0.709 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 14049195 SDYQBMJAUONCBU-AVGNSLFASA-N 356.444 0.998 0 40 FCAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 14129313 REIRXMAMOZBSBB-NSHDSACASA-N 371.459 0.590 0 40 FCAB C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2F)CC1 14914914 CAXWAUQRZDTBAG-ZIAGYGMSSA-N 369.462 0.640 0 40 FCAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCCC2)cc1 20769078 GJTOVHICJASLBI-UHFFFAOYSA-N 353.444 0.566 0 40 FCAB CCN1C(=O)C(=O)N(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C1=O 22038620 GVJUTAHFJYSTNQ-UHFFFAOYSA-N 374.397 0.301 0 40 FCAB C[C@H]1CN(C(=O)CSc2nnc(SCC(N)=O)s2)C[C@@H](C)O1 22091496 ZHUZOGPKTUAQMD-OCAPTIKFSA-N 362.502 0.843 0 40 FCAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCN1CCN(C)CC1 22822209 YOEDLCDOKHRWAW-UHFFFAOYSA-N 368.503 0.734 0 40 FCAB CS(=O)(=O)Nc1ccc(C(=O)NCC(=O)NCc2ccco2)cc1 23240651 FJIVNUNAQHVVTC-UHFFFAOYSA-N 351.384 0.697 0 40 FCAB Cc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)nc1 27641050 WYUFMCIEJUZNHN-LLVKDONJSA-N 350.400 0.494 0 40 FCAB COC(=O)N1CCC(CNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 43982574 TWXWPNYNGBBHKA-UHFFFAOYSA-N 361.464 0.253 0 40 FCAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1 57578210 OWMQMEAWURFSTG-LLVKDONJSA-N 351.428 0.886 0 40 FCAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H](C)S(C)(=O)=O 72295383 BALMDDOLWUZOBB-LSDHHAIUSA-N 353.488 0.746 0 40 FCAB CCOC(=O)[C@@](C)(NCc1nc2c(c(=O)[nH]c(=O)n2C)n1C)C(C)C 72308600 OPNSRDFXAYMXJG-INIZCTEOSA-N 351.407 0.028 0 40 FCAB Cc1ccccc1-n1nc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)c2c1CCC2 89700328 CPNGESOOSAYPTI-WBMJQRKESA-N 354.410 0.730 0 40 FCAB COc1cc(N2C[C@@H]3COC[C@]3(C(=O)NCc3cccnc3)C2)ncn1 96209054 BHEARSGEDWYOMK-RDTXWAMCSA-N 355.398 0.649 0 40 FCAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 97020803 HTDZIYPCXVNJRP-WCQYABFASA-N 366.447 0.812 0 40 FCAB CN1C(=O)[C@H](NC(=O)C(=O)NCC2(N(C)C)CCCC2)c2ccccc21 101682666 DHSGDMHUSZLPLH-OAHLLOKOSA-N 358.442 0.811 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2cccnc2O[C@@H]2CCSC2)CC1 252549068 QRFJJJXRNJYFDQ-GFCCVEGCSA-N 371.484 0.683 0 40 FCAB COc1cccc2c(C)c(C(=O)N3CCN(C(C)=O)[C@H](C(N)=O)C3)[nH]c12 257204584 AVHQUFANWZBDPC-ZDUSSCGKSA-N 358.398 0.643 0 40 FCAB Cc1cn([C@H]2CCN(C(=O)c3cncs3)C[C@]2(C)O)c(O)nc1=O 257262619 LMCWPWPRUIIHEB-NHYWBVRUSA-N 350.400 0.552 0 40 FCAB CNC(=O)c1cccc([C@@H]2CNCCN2CC(=O)Nc2cn(C)nc2C)c1 257320892 VZBSQMBVQFYIAS-KRWDZBQOSA-N 370.457 0.673 0 40 FCAB CSCC(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 306142649 XFMFNENIKDIIKP-NSHDSACASA-N 357.457 0.234 0 40 FCAB O=C(C1CCCCC1)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N[C@@H]2C1 514288739 BEOJQEIJYKBRMY-OLZOCXBDSA-N 351.428 0.912 0 40 FCAB biogenic,in-vitro Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)ccc1-n1cccn1 643433321 YJEIUBOPZVMSOQ-AWEZNQCLSA-N 363.395 0.505 0 40 FCAB CN1CCS(=O)(=O)C[C@H]1CC(=O)Nc1cccc(N2CCOCC2)c1 644312041 OLTKJPSHCARVLQ-MRXNPFEDSA-N 367.471 0.581 0 40 FCAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N=c1cc[nH]cc1Br 666491856 FTFKQWWVRDUIKP-NXEZZACHSA-N 364.221 0.200 0 40 FCAB CCOc1ncccc1C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 678879895 IEEHIUWORIUQMG-LRDDRELGSA-N 354.428 0.946 0 40 FCAB Cc1nnc2ccc(N3CCCN(c4ncnc5[nH]cnc45)CC3)nn12 1775972441 GOAJIOAYXZYMMC-UHFFFAOYSA-N 350.390 0.816 0 40 FCAB O=C(c1ccon1)N1CCO[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037983724 DGZZWWRKLGNZFS-SFHVURJKSA-N 357.366 0.949 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2Cc1ccc(Cl)cc1 2485213 LFVZRIOQAHNIJN-UHFFFAOYSA-N 363.805 0.919 0 40 FCAB CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CC1 4991958 LAQBVXSPDDEIAL-IPJQOSJUSA-N 350.371 0.474 0 40 FCAB Cc1nnc(SCc2cccc(S(=O)(=O)N(C)C)c2)n(N)c1=O 6053782 KLSQGLRXGTYNLZ-UHFFFAOYSA-N 355.445 0.203 0 40 FCAB Cc1cn(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(=O)[nH]c1=O 6401980 NPAYOTXAWDNDJL-UHFFFAOYSA-N 356.228 0.778 0 40 FCAB CCCCN(C(=O)CSC(=N)N)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 6654686 SNCDMTHEVIZQLB-UHFFFAOYSA-N 370.479 0.535 0 40 FCAB CCCn1c(N)c(C(=O)COc2cc(C)ccc2C(N)=O)c(=O)n(C)c1=O 9513987 OSFQLCBCIMCKCK-UHFFFAOYSA-N 374.397 0.208 0 40 FCAB O=C(Cc1ccccn1)N1CC[C@@H](c2cc(O)nc(N3CCOCC3)n2)C1 12134642 WNVYNSMJKUXRHH-CQSZACIVSA-N 369.425 0.972 0 40 FCAB Cc1ncc(COP(=O)(O)O)c([C@@H]2N[C@@H](C(=O)O)CS2)c1O 13213455 CXFXHBNEDOKOBZ-GMSGAONNSA-N 350.289 0.493 0 40 FCAB COCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1 13371797 BMWXVMYKZCZTHR-KBPBESRZSA-N 365.448 0.309 0 40 FCAB CCOC(=O)Cc1cnc(NC(=O)CSc2nc(N)cc(=O)[nH]2)s1 13521711 DNZFGKIKFLLMFX-UHFFFAOYSA-N 369.428 0.645 0 40 FCAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)NC1CC1 15335160 RHAKQHUKEZBVHJ-HNNXBMFYSA-N 354.428 0.811 0 40 FCAB COCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16022309 UNCYZNYUKMRATD-UGIYMOITSA-N 363.801 0.727 0 40 FCAB C[C@H]1CN(CC(=O)N2CCc3nc([C@@H]4CCCNC4)ncc3C2)C[C@@H](C)O1 19497426 VLWVMHRSGCAWJL-OWCLPIDISA-N 373.501 0.938 0 40 FCAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)CN1CCNC(=O)C1)cn2C 19718813 AXYBONOFDJXALF-CYBMUJFWSA-N 358.442 0.666 0 40 FCAB O=C(c1ccc(-n2cccn2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 24083801 BAFHOWCHJBSZLE-KRWDZBQOSA-N 374.466 0.817 0 40 FCAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)/C=C/c2cnn(C)c2)CC1 29362154 BEWKBYGURXLVJW-FYCOFBDGSA-N 359.474 0.979 0 40 FCAB O=C(CN1C(=O)CCOc2ccccc21)N1CCN(C(=O)C2CC2)CC1 32744565 DRGGOSKBOWLFAC-UHFFFAOYSA-N 357.410 0.883 0 40 FCAB O=C(CNCCCN1CCOCC1)Nc1ccccc1N1CCOCC1 35311448 BUKMTCYWVTYIEM-UHFFFAOYSA-N 362.474 0.774 0 40 FCAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)NC(N)=O)CC(=O)N3)cc1 40400547 SERMKWGDASXJLH-VIFPVBQESA-N 356.342 0.443 0 40 FCAB Cn1ncc2c(N3CCN(C(=O)NCCc4nccs4)CC3)ncnc21 51756767 DOXFVACFUFNBRP-UHFFFAOYSA-N 372.458 0.894 0 40 FCAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)CN1CCCC1=O)CC2 57731237 TXHOABISJYKYJU-UHFFFAOYSA-N 371.441 0.592 0 40 FCAB COCCN(CCOC)C(=O)Cn1nc(-c2cccs2)cc(N)c1=O 57743923 YIWJFUAWTFIZIF-UHFFFAOYSA-N 366.443 0.675 0 40 FCAB CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2CN2C(=O)CNC2=O)C1 58172939 JXBJWMHKXZBWNL-CQSZACIVSA-N 372.425 0.679 0 40 FCAB COCC(=O)N1CCC2(CC1)CN(S(C)(=O)=O)Cc1ccccc12 96079584 RRUJPENDKVAYIF-UHFFFAOYSA-N 352.456 0.968 0 40 FCAB Cc1cnc(N2CCC[C@]3(C(=O)O)CN(S(C)(=O)=O)C[C@@H]3C2)nc1 96185202 GTTSIQFVBGLKPU-WFASDCNBSA-N 354.432 0.348 0 40 FCAB CC(=O)NCC(=O)N1CCc2nc(-c3cnn(C)c3)nc(NC3CC3)c2C1 96254225 KTHZQBHBUCIFDG-UHFFFAOYSA-N 369.429 0.472 0 40 FCAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 101712372 LCARHFBRMFETSR-XDQVBPFNSA-N 365.455 0.480 0 40 FCAB COCCN1CCOC[C@]2(CC[C@@H](CNC(=O)c3ccnnc3)O2)C1 247825506 FRXVCEOXQZVENY-RDJZCZTQSA-N 350.419 0.103 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 257267299 MGRCDGROFRCFAA-GFCCVEGCSA-N 350.448 0.928 0 40 FCAB COc1cc2nc(NN)n(CCCN3CCOCC3)c(=O)c2cc1OC 408712857 XCVRRCUEEWZFQF-UHFFFAOYSA-N 363.418 0.422 0 40 FCAB COc1ccc(C(=O)CN(CCO)[C@@H]2CCS(=O)(=O)C2)cc1OC 575420327 ASYKSLUFNOLMLN-CYBMUJFWSA-N 357.428 0.368 0 40 FCAB O=C1COC(=O)N1CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 575617331 VQQKLFBOOIDBRV-UHFFFAOYSA-N 352.290 0.963 0 40 FCAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCN2C(=O)CNC2=O)C1 603528329 UUJMBBFETLZTIR-ZFWWWQNUSA-N 359.430 0.673 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(Cc2ccc(N(C)CCOC)nc2)C1 643757315 MHINPELROHGPBA-GOSISDBHSA-N 350.463 0.627 0 40 FCAB O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NCc1ncc[nH]1 1549161323 KBMIASVYVWXPEM-ZMSDIMECSA-N 358.377 0.725 0 40 FCAB O=C1CO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1ccccn1 1565548501 ZOVFPTXBMYCITO-QGZVFWFLSA-N 363.389 0.935 0 40 FCAB CN(C)C(=O)CN1C(=O)CO[C@@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)C[C@H]21 2055747712 NYAPIQHTLFQNRI-KBUPBQIOSA-N 351.447 0.339 0 40 FCAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 8727719 UHIBBOONUDPIER-VIFPVBQESA-N 359.386 0.308 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)CCCOc2ccc3c(c2)OCO3)CC1 12440712 ILGMIAYXPRHUJV-UHFFFAOYSA-N 370.427 0.678 0 40 FCAB CCOC(=O)c1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 12851217 AZBJCKOALHOGTG-GFCCVEGCSA-N 350.371 0.933 0 40 FCAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cc(Cl)ccc3OC)C(=O)[C@@H]12 17779504 JKNBQCGXSBPIGB-MNOVXSKESA-N 351.746 0.729 0 40 FCAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)N[C@H]1CCS(=O)(=O)C1 19576181 QSPNBOAWVUUDLJ-SQUSCZTCSA-N 362.407 0.377 0 40 FCAB Cc1cc(NC(=O)CN(C)C(=O)Cn2ncc(=O)c3ccccc32)no1 32841927 VCVCJPDTKWINLY-UHFFFAOYSA-N 355.354 0.790 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCCN(C)C)CC1 36358432 QTRNJXZMTHWGEW-UHFFFAOYSA-N 372.491 0.760 0 40 FCAB CCOC(=O)C1=C(CN2CCCN(c3nccs3)CC2)NC(=O)NC1 58162684 NZZWJPIZOOSMOL-UHFFFAOYSA-N 365.459 0.785 0 40 FCAB O=C(CN1CCS(=O)(=O)CC1)NCc1ccc(-n2ccnc2)c(F)c1 58179334 DQPBLXZVDHFGLM-UHFFFAOYSA-N 366.418 0.358 0 40 FCAB CCOC(=O)N1CCC(NC(=O)c2noc(-c3ccc[nH]c3=O)n2)CC1 96125549 XXUQSCTXEHYMOH-UHFFFAOYSA-N 361.358 0.776 0 40 FCAB O=C(c1ccoc1)N1CCOC[C@@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 96160717 FKVMXOFFTGXJNQ-MAUKXSAKSA-N 359.382 0.927 0 40 FCAB COCC(=O)N1CCC(O)(c2csc(CN3CCN(C)CC3)n2)CC1 225473081 YEYSBZUBAPIYDY-UHFFFAOYSA-N 368.503 0.347 0 40 FCAB biogenic,in-vitro COCCN1C(=O)CO[C@@H]2CCN(C(=O)CCCc3cn[nH]c3)C[C@@H]21 257276715 NUVYEQCQDJSRCI-LSDHHAIUSA-N 350.419 0.207 0 40 FCAB CCCNC(=O)c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1C 408620450 JSWGWEUZELVAEO-UHFFFAOYSA-N 369.487 0.745 0 40 FCAB CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H]1CCOc2c(C)cccc21 661060837 FSAWODZGYWJDFW-RDBSUJKOSA-N 354.428 0.930 0 40 FCAB Cn1nccc1[C@@H]1CN(S(=O)(=O)c2cnc3n2CCCC3)C[C@H]1N 1615592356 SRTYPCXDMXLYNG-VXGBXAGGSA-N 350.448 0.068 0 40 FCAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)CCS(C)(=O)=O)C1 2055750981 UGAOHOONTBZFCW-MRXNPFEDSA-N 371.434 0.389 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CC(=O)c1ccccc1 801708 NXDZXPOGHNHNRX-UHFFFAOYSA-N 353.382 0.906 0 40 FCAB COC(=O)CNS(=O)(=O)c1ccc(I)cc1 820177 RVMYXBFGVMVYHM-UHFFFAOYSA-N 355.153 0.743 0 40 FCAB C[C@H](C(=O)Nc1ccccc1C(N)=O)N1C(=O)c2ccccc2S1(=O)=O 4940846 KKPBVMYXYXMMHF-SNVBAGLBSA-N 373.390 0.957 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ccccc1F 5958859 NHADWMGPOUQYGW-CYBMUJFWSA-N 356.419 0.520 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)N2N=C(C)C[C@@]2(O)C(F)F)CC1 6488908 DRKMWYLSBDTOEI-CYBMUJFWSA-N 353.391 0.610 0 40 FCAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCC(=O)O)NC1=S 8092024 JMKVHBCHJZNIHP-POHAHGRESA-N 350.352 0.381 0 40 FCAB CCOC(=O)C(=O)Nn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O 9563070 QLQYLMMGPYANTQ-UHFFFAOYSA-N 355.354 0.832 0 40 FCAB CCn1cc(S(=O)(=O)N2CCC3(CC2)C[C@@H](NC(C)=O)CN3)c(C)n1 19704259 PJAABLOWVCRRPQ-CQSZACIVSA-N 369.491 0.233 0 40 FCAB OCCN1CCN(C[C@@H](O)COCCOc2ccc(Cl)cc2)CC1 22466197 FLGMSONVGMFSDX-MRXNPFEDSA-N 358.866 0.706 0 40 FCAB O=C(CN1CSCC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23641589 JOTSVFXUGNNGEE-UHFFFAOYSA-N 363.439 0.592 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N=c1[nH]c2ccccc2[nH]1 28647475 CBOQVJOOIQVVOR-VIFPVBQESA-N 363.399 0.895 0 40 FCAB COc1cc(C(=O)NN2CC(=O)NC2=O)cc(OC)c1Br 29019392 YAZJOJVCMMAGDS-UHFFFAOYSA-N 358.148 0.663 0 40 FCAB Cc1c2ncn(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)c2nn1C 32647307 FODTYQXPRWMONU-UHFFFAOYSA-N 355.354 0.484 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCCN1CC(=O)NC(=O)NC1CCCCC1 40086104 OAPPYGKMKQKEDC-AWEZNQCLSA-N 374.507 0.549 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CC(c2nc(-c3ncccn3)no2)C1 49482747 JPXICZOESVNUMU-UHFFFAOYSA-N 362.371 0.920 0 40 FCAB Cc1cc(NC(=O)[C@H]2C[C@@H](c3cn(C)nc3C)NS(=O)(=O)N2C)no1 72335144 CDAXJABSJAOKQF-NWDGAFQWSA-N 368.419 0.243 0 40 FCAB O=C(Cn1nnn(-c2ccc(NC(=O)c3ccco3)cc2)c1=O)NC1CC1 77100230 YXMTYVBDYSOWIY-UHFFFAOYSA-N 368.353 0.553 0 40 FCAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)CN3CCCC3)[C@H](O)[C@H]2O)c1 257217343 CYOBAECDWBDFNC-LMSBXDPUSA-N 350.415 0.149 0 40 FCAB CN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)c1ccc2c(c1)nnn2C 262264062 XBXHDQGBYSQTHP-GFCCVEGCSA-N 359.386 0.364 0 40 FCAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)CC3(O)CCC3)CC[C@@H]21 1565548907 MFSWBJXKSKSYPS-PMPSAXMXSA-N 361.446 0.421 0 40 FCAB Cn1cc(N2CCC(NC(=O)Nc3ccccc3)CC2)c(=O)n(C)c1=O 1889136088 BPHLUMUAQKVJBO-UHFFFAOYSA-N 357.414 0.875 0 40 FCAB CC(C)NC(=O)c1noc2c1C[C@@H](NC(=O)CN1CCOCC1)CC2 2055745747 XPMVOWQZTAYXTB-LBPRGKRZSA-N 350.419 0.119 0 40 FCAB O=C(Cn1cnnn1)N1CCC[C@@]2(CCCN(Cc3cccnc3)C2)C1 2056223247 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O=C1COCC(=O)N1C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 575621242 ZDJAXXKSFMLLRA-UHFFFAOYSA-N 374.365 0.503 0 40 FCAB CN(C)C(=O)N1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 582260258 LUWQWVVIRLGYGV-UHFFFAOYSA-N 351.432 0.308 0 40 FCAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(C(=O)Cc3ccn(C)n3)[C@H]2C1 585108286 PJPDAZROGWOBKL-BPUTZDHNSA-N 364.446 0.073 0 40 FCAB CCCc1nc([C@H]2CN(C(=O)[C@H](CCSC)NC(N)=O)CCO2)n[nH]1 599606931 RFTIPFQJQAWKSX-WDEREUQCSA-N 370.479 0.447 0 40 FCAB C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CC[C@@H](c2nn[nH]n2)C1 1560101310 IKRLRACAMKZFJK-GXTWGEPZSA-N 372.429 0.508 0 40 FCAB Cc1nc(CN2C[C@H]3CN(C4=NS(=O)(=O)c5ccccc54)C[C@H]3C2)no1 1888930491 ZGFKFEZKMXBQSE-BETUJISGSA-N 373.438 0.891 0 40 FCAB O=C(Cn1ccccc1=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccncc1 2055750630 LETOKJARJSKMEB-DLBZAZTESA-N 354.410 0.355 0 40 FCAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(N)=O)c2)C[C@H](C)O1 3275520 LKAZYRZXCWXYFG-QWRGUYRKSA-N 356.400 0.127 0 40 FCAB O=S1(=O)C=C(Cl)[C@H](SC(=S)N[C@@H]2CCS(=O)(=O)C2)C1 5376325 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54760645 ITIVWZFHJDFPLR-LBPRGKRZSA-N 356.444 0.980 0 40 FCAB COC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccccc1 57414206 CRROORBSYDHCQN-INIZCTEOSA-N 372.425 0.665 0 40 FCAB CS(=O)(=O)N1CCC[C@@H](Nc2ccc3nnc(C(F)(F)F)n3n2)C1 67904577 TVCXFGYDQSHRJO-MRVPVSSYSA-N 364.353 0.979 0 40 FCAB CCOC(=O)[C@]12CCCN(S(=O)(=O)C3CC3)C[C@H]1CN(C(C)=O)C2 96056023 UYPKHIGYYZXCQT-CJNGLKHVSA-N 358.460 0.602 0 40 FCAB C[C@@H]1CN([C@H](C)CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 106057243 KRLRGGCFNMFHDG-AAVRWANBSA-N 364.533 0.521 0 40 FCAB Cc1cc(NC(=O)C(=O)NCC2CCN(C3CCOCC3)CC2)no1 225565174 RMSCOMPTVVIOBO-UHFFFAOYSA-N 350.419 0.929 0 40 FCAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)[C@@H]1COc2ccccc2O1 225805575 GGZQTOMCWCRLCF-ZDUSSCGKSA-N 373.390 0.708 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1cnn(C)c1)CC2 248154399 VDFXPNJXRWFQPK-OAHLLOKOSA-N 356.492 0.540 0 40 FCAB CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cc(C)ccc2OC)CC1 408587086 BHMZUBBOYBQYPX-AWEZNQCLSA-N 369.487 0.835 0 40 FCAB COC(=O)[C@@H]1C[C@H](O)CN(C(=O)NCCCn2cnc3ccccc32)C1 591898975 GTSFQMUEXQACPV-KGLIPLIRSA-N 360.414 0.992 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1ccc2c(c1)COC2 643705053 HXUALCZFSWFQJQ-MRXNPFEDSA-N 354.428 0.633 0 40 FCAB O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@H]2O1 1565553339 URXJWZMKYMCMPU-CEMYWYHPSA-N 360.410 0.794 0 40 FCAB CN(C)C(=O)[C@@H]1CN(c2ncnc3[nH]cnc23)CCN(C2CCOCC2)C1 2037843793 JQNHIQNCDLKMQX-ZDUSSCGKSA-N 373.461 0.358 0 40 FCAB CC(=O)N1CCN([C@H]2CCN(Cc3scnc3C)CC[C@@H]2O)CC1 2037849725 AGAQEUNQCHBLRO-HOTGVXAUSA-N 352.504 0.941 0 40 FCAB COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)CCOC)CC1 2055738901 YYVJNWDXUNLNJL-UHFFFAOYSA-N 370.475 0.715 0 40 FCAB Cc1ccc(Nc2nc(N)nc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1 5392854 VQITYXMXZZEURX-YPHNTLSLSA-N 372.385 0.072 0 40 FCAB CCCNC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(OCC)cc1 8849529 TZDZYGCXZAYGSZ-UHFFFAOYSA-N 373.413 0.482 0 40 FCAB CC(=O)N[C@H]1[C@@H](Oc2ccc(Cl)cc2Cl)O[C@H](CO)[C@H](O)[C@@H]1O 12378536 UHQRLFPKGHQKEN-RGDJUOJXSA-N 366.197 0.316 0 40 FCAB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O 13002691 XUQAGEFQGZGTOD-RYUDHWBXSA-N 351.407 0.322 0 40 FCAB in-vitro CC(=O)N1CCN(C(=O)Cn2cnc(-c3ccc(F)cc3)cc2=O)CC1 13808243 HCPWWYYZHRJHDF-UHFFFAOYSA-N 358.373 0.740 0 40 FCAB CN(C)c1c(N)n(C)c(=O)n(CC(=O)Nc2cccc(Cl)c2)c1=O 32739571 QMZAMRJQBMGPJN-UHFFFAOYSA-N 351.794 0.487 0 40 FCAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC2CCNCC2)c1 36286196 IWHIEKUHLDOCSB-UHFFFAOYSA-N 352.865 0.774 0 40 FCAB COc1cc(-c2cc(C(=O)N3CCNC(=O)C3)n[nH]2)cc(OC)c1OC 38488928 JRCDCRJVNXFKTA-UHFFFAOYSA-N 360.370 0.675 0 40 FCAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CCC3)CC2)C[C@@H](C)O1 46363219 GFRTXEKFBIWQIC-OAGGEKHMSA-N 371.503 0.841 0 40 FCAB COC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 84699962 UJVDAWGBXPQHBW-HNNXBMFYSA-N 370.471 0.844 0 40 FCAB CCNC(=O)c1cc(NC(=O)CN2CC(=O)NC2=O)nc2ccccc12 89977488 CPQTWRSDVSDEHR-UHFFFAOYSA-N 355.354 0.475 0 40 FCAB COC(=O)[C@](NC(=O)C(F)(F)F)(C(C(C)=O)C(C)=O)C(F)(F)F 100123402 PGTDQZPDDWOULW-SECBINFHSA-N 351.199 0.933 0 40 FCAB COC(=O)CNC(=O)CCC(=O)NCCc1ccc(OC)c(OC)c1 199417401 CLAGUHNJIQEBOA-UHFFFAOYSA-N 352.387 0.432 0 40 FCAB CN(C)c1nccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 224240509 JNYIZFQFDVTGDX-UHFFFAOYSA-N 350.400 0.792 0 40 FCAB CN1CCN(Cc2nc(C3(O)CCN(C4COC4)CC3)cs2)CC1 225472222 PJUANSVVCNSEIM-UHFFFAOYSA-N 352.504 0.573 0 40 FCAB biogenic,in-vitro O=C(Cn1c(=O)oc2ccccc21)NCc1nc(-c2cc[nH]c(=O)c2)no1 225801614 YKKKDPUZPAEZLD-UHFFFAOYSA-N 367.321 0.649 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cnc(-c3nccn3C)cn2)C1 257269815 MRMUPBXZFAGRKB-LBPRGKRZSA-N 350.448 0.548 0 40 FCAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C2(CO)CC2)cc1F 288871719 GXNZAEDJWJIZMI-UHFFFAOYSA-N 366.436 0.733 0 40 FCAB CC(C)n1nc2n(c(=O)c1=O)C[C@@]1(CCN(C(=O)c3ccco3)C1)OC2 306141657 WDDFTNXHYCLRTC-KRWDZBQOSA-N 360.370 0.394 0 40 FCAB CN(C)CCN1CC[C@@]2(CN(C(=O)c3cocn3)CC(F)(F)C2)C1=O 585093420 VQMCQRHHELFUIL-OAHLLOKOSA-N 356.373 0.936 0 40 FCAB CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ncccc3C)[C@@H](O)[C@H]2O1 604381643 IXYPZCDHHWNSDS-ZLJHSHKTSA-N 363.458 0.682 0 40 FCAB biogenic,in-vitro CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cccc(OCC(=O)O)c1 675959550 QJJUIHPFAYXZQG-CYBMUJFWSA-N 370.427 0.694 0 40 FCAB O=C(Cc1ccccc1)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(CCOCC1CC1)C2 1615610944 HMWSFUPUMAQWST-UEXGIBASSA-N 371.481 0.961 0 40 FCAB COCCn1cnc2c(N3C[C@H]4CN(c5ncccn5)C[C@H]4C3)ncnc21 1888906223 KZGBDXYDRKWXHX-OKILXGFUSA-N 366.429 0.835 0 40 FCAB COC(=O)C1=NN[C@@]2(CC(=O)N(c3ccc(Br)cc3)C2=O)C1 1295227 IUMDKMYNJXFLFE-CQSZACIVSA-N 366.171 0.974 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3c(C)nn(C)c3C)[C@@H]2SC1 2783862 ZUUVNGPHBJSYKK-HZMBPMFUSA-N 350.400 0.409 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCO)C2)cc1C 5000388 GGALHXKQQXKKCW-CYBMUJFWSA-N 356.444 0.513 0 40 FCAB CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)CC1 6645461 LAQBVXSPDDEIAL-ZOPJHEKZSA-N 350.371 0.474 0 40 FCAB CCOc1ccc(C(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)cc1 8231847 YDOCFSZYWIWVFO-CYBMUJFWSA-N 368.411 0.623 0 40 FCAB COc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NC(=O)NC(C)C 12527388 GCVLKKKAAAZGKI-UHFFFAOYSA-N 372.447 0.592 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(I)c1 12887688 VRSXQDSDZNOCBA-UHFFFAOYSA-N 371.134 0.780 0 40 FCAB O=C1NCCN(C(=O)C2CC2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164521 RSIZRUPGBJCQIV-KRWDZBQOSA-N 370.453 0.462 0 40 FCAB CN(CCc1ccccc1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC1CCOCC1 20465824 TYDBEFLACIAVLD-FUMNGEBKSA-N 364.486 0.419 0 40 FCAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1C 32652508 QSSJVZFCOBNBFP-OAHLLOKOSA-N 372.512 0.797 0 40 FCAB CC1(C)S[C@H]([C@@H](NC(=O)[C@H](N)c2ccccc2)C(=O)O)N[C@H]1C(=O)O 34648377 KDAWOPKDXRJNHV-HNCHTBHHSA-N 367.427 0.150 0 40 FCAB CCCn1nnnc1CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C 39996365 WRDNITXQWHXXLN-VIFPVBQESA-N 357.465 0.406 0 40 FCAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCc1nnc2n1CCCCC2 40049255 XZXKUXWFWDZTPU-UHFFFAOYSA-N 368.397 0.324 0 40 FCAB CS(=O)(=O)N(Cc1ccccc1)Cc1ncc(CC(=O)O)c(=O)[nH]1 49468632 FXNDKVNSCYORCM-UHFFFAOYSA-N 351.384 0.359 0 40 FCAB CCn1c(=O)n(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c2ccccc21 54834577 PEYJPWLYTGSCTG-INIZCTEOSA-N 351.428 0.516 0 40 FCAB CN1CCC(NC2(Cc3cc(CN4CCOCC4)on3)COC2)CC1 67898405 MPHWRQYIKDFQJU-UHFFFAOYSA-N 350.463 0.502 0 40 FCAB biogenic,in-vitro COCCN(CC(N)=O)C(=O)CCc1nc(-c2ccc(OC)cc2)no1 83902698 OBHSHJVPHUTLDJ-UHFFFAOYSA-N 362.386 0.638 0 40 FCAB C[C@H]1NC(C(=O)N2CCC(OCCO)CC2)=NN(c2ccccc2)C1=O 89919821 AZKAIROZBFAPTI-CYBMUJFWSA-N 360.414 0.325 0 40 FCAB Cn1ccnc1CN1CCO[C@]2(COCCN(Cc3ccncc3)C2)C1 96229445 XPZCXMLEZJHNQW-IBGZPJMESA-N 357.458 0.919 0 40 FCAB O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CCC[C@H]1Cn1ccnc1 155039608 PGMKRTSRWJTSJY-UONOGXRCSA-N 351.432 0.894 0 40 FCAB CC(C)OCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCO 217459504 JLTFCPMSIFEFLL-UHFFFAOYSA-N 360.432 0.882 0 40 FCAB Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCN(c3ccccn3)CC1)CC2 225740778 SVJRUWXURYPVME-CQSZACIVSA-N 353.426 0.629 0 40 FCAB CCS(=O)(=O)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 253491492 MTPYOKLJXZWSMO-LBPRGKRZSA-N 360.457 0.299 0 40 FCAB CCCc1nnsc1C(=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257246257 ITICDRQVQFUJIE-KBPBESRZSA-N 354.476 0.788 0 40 FCAB Cc1cnn(CC(=O)N2CC[C@H](O)[C@@H](N(C)C3CCOCC3)CC2)c1 257340110 ZEPKDBROVGFLIT-IRXDYDNUSA-N 350.463 0.654 0 40 FCAB CN(C)c1cc(N2C[C@H]3OC[C@H](CNS(=O)(=O)C4CC4)[C@H]3C2)ncn1 306137022 QJFCGZLIOXRZQV-IACUBPJLSA-N 367.475 0.076 0 40 FCAB O=S1(=O)N[C@@H]2CN(Cc3ccncc3F)C[C@@H]2Oc2ncccc21 514289315 HZQWOMARIFSWLV-OLZOCXBDSA-N 350.375 0.539 0 40 FCAB biogenic,in-vitro Cn1cc(S(=O)(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cn1 573881290 JTPZXFPLSZHPSR-PWSUYJOCSA-N 353.404 0.879 0 40 FCAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](OCC3CC3)C2)c1 681691171 RNCLTNDWXOKZQI-CYBMUJFWSA-N 374.484 0.914 0 40 FCAB CC(C)c1ccc(C(=O)Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]c2=O)cc1 685943852 COQLYNKXSMHESK-UHFFFAOYSA-N 368.393 0.869 0 40 FCAB CCN1CCN(C(=O)NC[C@H](OCCO)c2cccs2)C(=O)C1=O 828765301 CKRSZQPRSJVOSF-NSHDSACASA-N 355.416 0.198 0 40 FCAB O=C([C@H]1[C@H]2COC[C@H]21)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 1565542912 FMHZESFRPSHALD-HLPPOEQASA-N 360.414 0.106 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@H](OCCCn2cccn2)[C@H]2OCCC[C@H]21 1565549338 PPFIIZZSIMJYNO-UFYUIRFASA-N 361.442 0.941 0 40 FCAB CCOC(=O)[C@@H]1COC2(CCN1C(C)=O)CN(C(=O)C1CC(F)(F)C1)C2 1565551327 CLPQDFDGHGUETG-ZDUSSCGKSA-N 374.384 0.813 0 40 FCAB CSCC[C@H](N)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1 4082894 XFXBEJNMMQMRPF-STQMWFEESA-N 357.476 0.381 0 40 FCAB biogenic COC(=O)C1=NN[C@]2(C)C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 4664444 FDSAAQCNOZPNJZ-OTYXRUKQSA-N 366.171 0.829 0 40 FCAB Cn1c(=O)c2c(ncn2Cc2cc(Cl)c3c(c2)OCCO3)n(C)c1=O 5270379 PZOGPGPVXNHQQZ-UHFFFAOYSA-N 362.773 0.907 0 40 FCAB C#CCOc1ccc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1OC 8112740 WIDYYNIKMDPVSW-WQLSENKSSA-N 360.391 0.938 0 40 FCAB CCN(CC)C(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1 8848967 NNRMZFOFMHSYCC-UHFFFAOYSA-N 361.377 0.564 0 40 FCAB Cc1cc(NC(=O)C(=O)NCC(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039795 QLESNZNPGXJRAH-UHFFFAOYSA-N 358.402 0.463 0 40 FCAB CN(C)C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccco1 11485557 GNYMCZBPRCVDMA-UHFFFAOYSA-N 351.432 0.936 0 40 FCAB Cc1nc(C)n(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1 12187830 JYWPEIIMKLHXHS-SECBINFHSA-N 365.415 0.593 0 40 FCAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15325365 MEJCHOHCSKHXAB-UHFFFAOYSA-N 351.428 0.683 0 40 FCAB C[C@H](C(=O)N1CCc2nc(C3CCNCC3)ncc2C1)N1CCOCC1 19079485 FRHLGVUSCMITMH-CQSZACIVSA-N 359.474 0.549 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)CN3C(=O)CSc4ccccc43)CC2)N1 21474079 IGTDWKRWXJTGJJ-UHFFFAOYSA-N 374.422 0.326 0 40 FCAB CCN(CC(=O)NC)C(=O)Cc1c(C)nc2nc(SC)nn2c1C 40118827 UJPAUNVCRJMXNE-UHFFFAOYSA-N 350.448 0.600 0 40 FCAB CC[C@H](C)NC(=O)CCNC(=O)CCNS(=O)(=O)c1cccs1 58214799 BRHVUCDZBPPHOI-NSHDSACASA-N 361.489 0.838 0 40 FCAB O=C(c1ccc(N2CCOCC2)nc1)N1CCN(C[C@@H]2CCCO2)CC1 58431291 HFYYILNNMNTZPV-KRWDZBQOSA-N 360.458 0.855 0 40 FCAB O=C(CCCN1C(=O)c2cccnc2C1=O)NCc1nnc2ccccn12 79486783 KNKXXQIZXVDLHR-UHFFFAOYSA-N 364.365 0.817 0 40 FCAB COc1ccc(-c2nn([C@H](C)C(=O)NCCCO)c(=O)cc2OC)cc1 96101040 AMBRTUJIVYOZKW-GFCCVEGCSA-N 361.398 0.987 0 40 FCAB CN(C)C(=O)CN1CCOC[C@]2(C1)CN(Cc1cccs1)CCO2 96229419 IRYCGDXRGHVXPZ-QGZVFWFLSA-N 353.488 0.740 0 40 FCAB CN(C)c1nc2c(cc1C(=O)NCC1CC1)CCN(S(C)(=O)=O)CC2 96260375 ZAGMBWACHKOMNJ-UHFFFAOYSA-N 366.487 0.648 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 101149553 JPUQXHRTAMWBMF-TZMCWYRMSA-N 359.338 0.334 0 40 FCAB O=C(c1ccc(Cl)cc1)N(CCOCCO)[C@H]1CCS(=O)(=O)C1 217372648 NQBYPJJGJZJYPP-AWEZNQCLSA-N 361.847 0.978 0 40 FCAB COCCNC(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247831860 HVKSYAPDCUPKFY-OAHLLOKOSA-N 358.398 0.931 0 40 FCAB Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(C)[C@H](C(=O)N(C)C)C1 257313427 USIAWQLJVBMNPZ-NSHDSACASA-N 361.368 0.441 0 40 FCAB CC(=O)NC1CN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)C1 276122306 GYSZMSVFQVOANC-UHFFFAOYSA-N 351.382 0.087 0 40 FCAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCS(=O)(=O)CCO1 1124006553 KSYVQSMNNYHYNN-SNVBAGLBSA-N 374.365 0.506 0 40 FCAB COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C](CO)[C@@H](O)C(O)=C1O 1560406042 BEKRZFWOYBBYRU-ZIWYEXBPSA-N 369.346 0.657 0 40 FCAB COc1cc(C(=O)N2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)on1 1565549709 AAKOXBIYQVEULZ-DYVFJYSZSA-N 362.386 0.828 0 40 FCAB CS(=O)(=O)N1CCOCC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 1565554991 NCPRNFJJHPOBCR-UHFFFAOYSA-N 369.487 0.848 0 40 FCAB O=C1[C@@H]2CN([C@H]3CCN(C4CC4)C3=O)C[C@H]2C(=O)N1Cc1ccccc1 1888844478 UMYKSKZTMXSXAK-ZACQAIPSSA-N 353.422 0.867 0 40 FCAB OCCOc1ccc(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)cc1 2037971261 NJBRUNWTEAXJIR-JSXRDJHFSA-N 373.449 0.567 0 40 FCAB CCN1CCC[C@@H]1CNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1 3906622 ACXDNSCTSQYLOT-CQSZACIVSA-N 374.441 0.550 0 40 FCAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCn1nnc2ccccc2c1=O 5755079 QMBAMWANNFCXNG-UHFFFAOYSA-N 363.333 0.771 0 40 FCAB CCOC(=O)c1c(C)oc2ncn(CC(=O)NC[C@@H]3CCCO3)c(=O)c12 7553005 XCSIXBHIDRWFEQ-NSHDSACASA-N 363.370 0.770 0 40 FCAB COCCNC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030083 SBXBARXMFPKXAZ-CYBMUJFWSA-N 361.441 0.024 0 40 FCAB COC(=O)C[C@@H]1NC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O 12550410 DKBNOKOENGYAQB-ZDUSSCGKSA-N 364.377 0.389 0 40 FCAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnccn1 14118017 PJBJISRDSVTLDT-UHFFFAOYSA-N 362.411 0.428 0 40 FCAB COc1cccc(S(=O)(=O)N2C[C@H]3CN(C)CC[C@@]3(NC(C)=O)C2)c1 19713663 JLYIMDIHWOXAOV-RHSMWYFYSA-N 367.471 0.526 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)NCC(=O)Nc1ccc(O)cc1 36358267 GAZRETJXLRXKMB-UHFFFAOYSA-N 352.350 0.857 0 40 FCAB CNC(=O)NC(=O)CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 47262349 FJUYKFDSRWZPNV-JTQLQIEISA-N 353.810 0.841 0 40 FCAB CN(CC(=O)NC1CC1)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 48043218 YDNVKEOINJNZTI-UHFFFAOYSA-N 365.455 0.726 0 40 FCAB CN(C(=O)CN1CCN(c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 57438927 HPRLSHBBJRONFF-INIZCTEOSA-N 369.462 0.593 0 40 FCAB CNC(=O)NC(=O)CCN1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C 58217596 PWBLCKPVUPFGDJ-CYBMUJFWSA-N 362.430 0.829 0 40 FCAB CCOC(=O)[C@H](C)NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H](C)C(=O)OCC)C1 58249216 OSPCJZUCESGQIJ-XDQVBPFNSA-N 370.446 0.928 0 40 FCAB NC(=O)Cc1ccc(OCC(O)COc2ccc(CC(N)=O)cc2)cc1 67664884 RJTRBVLDVHIXNJ-UHFFFAOYSA-N 358.394 0.561 0 40 FCAB in-vitro O=S(=O)(c1cccnc1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70641116 GEOXZTLDZWPGPP-UHFFFAOYSA-N 371.426 0.568 0 40 FCAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2nc3ncccn3n2)n1 71025183 HJIBRNGGGBVZFU-ZDUSSCGKSA-N 365.397 1.000 0 40 FCAB COCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 96136960 MPHJIGCOICFOQJ-UHFFFAOYSA-N 353.444 0.524 0 40 FCAB CNCC1CCN(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 97019637 IVCQJJWQVGRNEV-UHFFFAOYSA-N 359.430 0.012 0 40 FCAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1 101153888 JNDOIVKCAMWRMW-ZXFNITATSA-N 366.366 0.787 0 40 FCAB COCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCOCC2)n1 225897279 OQYSZWXUTGDTDH-UHFFFAOYSA-N 366.491 0.846 0 40 FCAB Cc1ccc(S(=O)(=O)[C@]23OC(C)(C)O[C@H]2[C@H](O)[C@H]2CO[C@H]3O2)cc1 242495385 GDLOUXJFINZTDN-USRAEIGSSA-N 356.396 0.733 0 40 FCAB Cc1n[nH]c(C)c1CC(=O)N(C)C[C@@]1(O)CCCN(c2cnccn2)C1 257232244 GJYRMOOCSWHJJW-SFHVURJKSA-N 358.446 0.849 0 40 FCAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCCn3nc(CC)nc32)C1 331443446 KQUCIOKGVPGCCX-VXGBXAGGSA-N 370.479 0.399 0 40 FCAB CN(CC1CC1)S(=O)(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 331494611 NHIIDXXEZXFOMW-QWHCGFSZSA-N 353.510 0.271 0 40 FCAB COCCNC(=O)[C@@H]1COC2(CN(C(=O)[C@H]3C[C@H]3C)C2)CN1CC1CC1 575403969 JQAODDKHQXMIPQ-KBMXLJTQSA-N 365.474 0.097 0 40 FCAB COC[C@H]1CC2(CCN(C(=O)C3CC(O)C3)CC2)CN1S(C)(=O)=O 585103566 JHJCBFPFQRKMSM-ROKHWSDSSA-N 360.476 0.046 0 40 FCAB CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)CNS(C)(=O)=O)C1 585277478 VMNASQAOOJMNCA-INIZCTEOSA-N 356.444 0.541 0 40 FCAB O=C(O)CN1CCCC[C@H](NC(=O)[C@@]2(c3ccccc3)CCNC2)C1=O 630577727 VQIDZRBIVLWTCX-KXBFYZLASA-N 359.426 0.500 0 40 FCAB O=C(NCCC1=CCCCC1)C(=O)NC[C@]1(OCCO)CCSC1 1565523091 GIYQHJGETXXOTR-QGZVFWFLSA-N 356.488 0.994 0 40 FCAB CC(C)N(C)CC(=O)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 1565549132 QPHVAKPOQKTRDO-HNAYVOBHSA-N 360.458 0.765 0 40 FCAB COc1cnccc1C(=O)N1CC[C@H]2OCCN(S(C)(=O)=O)[C@@H]2CC1 1565554495 SSWPFHTXRCHCCK-ZIAGYGMSSA-N 369.443 0.355 0 40 FCAB CCc1nc(S[C@H](CC)C(=O)OC)c2c(=O)n(C)c(=O)n(C)c2n1 4138961 VXVVUKPOYNTRGJ-MRVPVSSYSA-N 352.416 0.633 0 40 FCAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(OC)c1 4505386 XKCIRJZKEGNEQW-LLVKDONJSA-N 363.457 0.902 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)NC23CC4CC(CC(C4)C2)C3)n(C)c1=O 4938877 RCWZJFMHKDADDJ-UHFFFAOYSA-N 371.441 0.519 0 40 FCAB O=C(NCCCO)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 8879178 QBNLHAMXLJITFZ-FVQSIRDASA-N 372.377 0.200 0 40 FCAB CCCC(=O)Nc1ccc(S(=O)(=O)NCCn2ncccc2=O)cc1 11856399 IEHXUNHXSRIANX-UHFFFAOYSA-N 364.427 0.960 0 40 FCAB Cn1cc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)c(=O)n(C)c1=O 22760242 ZMCJWSJBMKTIMB-UHFFFAOYSA-N 369.365 0.483 0 40 FCAB CN(C)S(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 40071675 NFNDBDBNMPPBRC-UHFFFAOYSA-N 357.867 0.912 0 40 FCAB Cc1sc2ncn(CC(=O)NCc3nnc4n3CCC4)c(=O)c2c1C 48276636 RDSAJPWABGDNSL-UHFFFAOYSA-N 358.427 0.929 0 40 FCAB COCCn1nc(C(=O)OCc2cc(=O)[nH]c(SC)n2)ccc1=O 49600817 JKTLDCHDJMAODX-UHFFFAOYSA-N 352.372 0.052 0 40 FCAB CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 67861959 IDTXSFPIBIAYDW-KRWDZBQOSA-N 373.453 0.537 0 40 FCAB CCOC(=O)CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)C(C)(C)C 84793455 CMVJLYIFYOQTRD-UHFFFAOYSA-N 353.463 0.731 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)NCc2n[nH]c(=S)n2C(C)C)co1 89893859 USTDODHQTQJRKR-UHFFFAOYSA-N 359.433 0.953 0 40 FCAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H]1CCS(=O)(=O)C1 95532372 WVURKANUPLFKBG-QMTHXVAHSA-N 350.396 0.715 0 40 FCAB O=C1CO[C@@]2(COCCN(CC3CCOCC3)C2)CN1c1cccnc1 96051354 OHZDOIALBUDOSS-LJQANCHMSA-N 361.442 0.942 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@]2(CC(=O)N(C)C2)C1 96143398 SYMIPRMNLWFVSQ-KRWDZBQOSA-N 365.455 0.388 0 40 FCAB COCC(=O)N1CCC2(CC1)CN(c1ncccn1)C[C@@]21CCN(C)C1=O 107181487 NNTBNLONROHOEG-LJQANCHMSA-N 373.457 0.400 0 40 FCAB CN(C)C(=O)COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1F 226686919 ASVHJLMJHLCCLL-LLVKDONJSA-N 360.407 0.750 0 40 FCAB COc1cc(N2CC3(C[C@@H](OCC(=O)N4CCCC4)CCO3)C2)ncn1 247916594 WFGPJGKNFFPNFQ-AWEZNQCLSA-N 362.430 0.862 0 40 FCAB C[C@@]1(O)CN(Cc2ccc(C(=O)O)cc2)CC[C@H]1n1ccc(O)nc1=O 257254843 KEXLKPBWQLYKMI-RDTXWAMCSA-N 359.382 0.845 0 40 FCAB CN(CCO)[C@H]1[C@H](NC(=O)c2cnco2)C[C@@H](Oc2ccccc2)[C@@H]1O 257329159 XITDBVUCQLZIAA-JHNDHUHGSA-N 361.398 0.278 0 40 FCAB O=C(N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O)C1(F)CCC1 306126754 FEKILGFALAHSEX-LBPRGKRZSA-N 369.418 0.763 0 40 FCAB COc1ccc(NC(=O)N[C@@H]2CCCN(C)C2=O)cc1S(C)(=O)=O 529119251 JZJNFGQJVQSRRG-LLVKDONJSA-N 355.416 0.841 0 40 FCAB O=C(CN1CCOC1=O)N1CCCN(C(=O)c2n[nH]cc2Cl)CC1 1529099097 QFVYDHWUSGKQBS-UHFFFAOYSA-N 355.782 0.190 0 40 FCAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)c5cncc(O)c5)C[C@H]4C3)ncnc21 1888888082 WOSKMPQXJDAQGO-CHWSQXEVSA-N 365.397 0.672 0 40 FCAB CCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 4554259 XJMTZINMXCZSEA-LBPRGKRZSA-N 373.500 0.934 0 40 FCAB CCN(CC)c1nc2c(c(=O)n(CC(N)=O)c(=O)n2C)n1CCC(C)C 5252204 FOYUNDIFTRIGEI-UHFFFAOYSA-N 364.450 0.274 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(=O)O)CC2)cc1 6923559 RDLVWYVCXIOWHV-GFCCVEGCSA-N 354.428 0.985 0 40 FCAB O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)N1CCNC1=O 9466291 DQUYGKLHYWARFT-INIZCTEOSA-N 361.379 0.710 0 40 FCAB C[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)NC1CC1 9494020 ZFGUCOGWLSRRQN-GFCCVEGCSA-N 354.428 0.753 0 40 FCAB C[C@H]1C(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C(=O)N1c1ccc(F)cc1 11521169 UZNWTANLRDGLMA-JTQLQIEISA-N 360.345 0.580 0 40 FCAB Cc1nc2cc([C@H]3CCCN3C(=O)CN3C(=O)CCC3=O)nn2c(O)c1C 12337000 SHSMFIHZXDXQFB-CYBMUJFWSA-N 371.397 0.864 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccc(OCC(F)(F)F)cc1 12978293 NGCMUXIFHGHIRI-UHFFFAOYSA-N 357.288 0.794 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H]1COc2ccccc2O1 14167958 PUSWQMZCSMCSOT-GFCCVEGCSA-N 368.397 0.822 0 40 FCAB Cn1c(N)c(C(=O)CN(Cc2ccco2)Cc2ccco2)c(=O)n(C)c1=O 14201316 DHUVVNXHIQQSIN-UHFFFAOYSA-N 372.381 0.737 0 40 FCAB Cc1noc(COc2ccccc2OC[C@@H](O)CN2CCN(C)CC2)n1 20469978 TXAKMPGFVBPDFS-HNNXBMFYSA-N 362.430 0.944 0 40 FCAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCO2)cc1 22620599 GSMOXHYWWPZMSH-CQSZACIVSA-N 354.428 0.853 0 40 FCAB Cc1nccn1-c1cc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)ccn1 47013719 PIPZXXXPJNXBRX-AWEZNQCLSA-N 363.443 0.616 0 40 FCAB Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc3nnnn3n2)CC1 57369338 PGOHBMKTSFUNOC-UHFFFAOYSA-N 366.429 0.897 0 40 FCAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 96144723 ZIXRGXKKESHTTA-AWEZNQCLSA-N 361.446 0.971 0 40 FCAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(c2ncccn2)CC1 103050326 ZAUHMIKBSDWULV-GJZGRUSLSA-N 371.441 0.691 0 40 FCAB CC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(-c3ncnn3C)cc2)CC1 190214538 VUYGXIHAROSHRX-ZDUSSCGKSA-N 357.414 0.940 0 40 FCAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1cnn2cccnc12 225805327 MPDXIPKLGBYQOF-UHFFFAOYSA-N 356.367 0.224 0 40 FCAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc(=O)n(C)c(=O)n1C 257261672 LIJBFHUYNUOXJT-OUFKLWKOSA-N 374.441 0.088 0 40 FCAB O=C(CCN1CCOCC1)N1CC[C@](O)(COc2cccc(F)c2)C1 585273401 UMPNCIONXFYRMT-GOSISDBHSA-N 352.406 0.890 0 40 FCAB Nc1nc2c(c(N3CCCN(S(=O)(=O)C4CC4)CC3)n1)CCCC2 645235670 BDQTVKLLPZNWKK-UHFFFAOYSA-N 351.476 0.942 0 40 FCAB C[C@H]1Cn2nc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)cc2CN1 1122003356 RTQFCINGJMKXCK-ZDUSSCGKSA-N 368.441 0.436 0 40 FCAB O=C(Nc1cccc(Cl)c1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cncn2)[C@H]1O 1534639812 HFOZOSQFRZEUTN-XGFWRYKXSA-N 365.777 0.779 0 40 FCAB COc1cnc(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@H]3CC2)nc1 1565548933 IYJBIAGEHPBTDK-HOTGVXAUSA-N 363.462 0.352 0 40 FCAB O=C(CCc1cncnc1)N1CCC[C@@]2(C1)CN(CCN1CCCC1)C2=O 1614934960 XYKSMRASTMZSBP-HXUWFJFHSA-N 371.485 0.956 0 40 FCAB CO[C@H](CN(Cc1nnc2n1CCOCC2)S(C)(=O)=O)C1CCCC1 1615551753 PMBWFUGDOLDUDI-CQSZACIVSA-N 372.491 0.818 0 40 FCAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)Cn4ccccc4=O)C[C@@H]32)n1 2056224755 UFYQMNKIQOEURY-ROUUACIJSA-N 368.437 0.664 0 40 FCAB Cn1cc(I)c(-c2nc(-c3nonc3N)no2)n1 970314 IYDGPPUGASYOSQ-UHFFFAOYSA-N 359.087 0.707 0 40 FCAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(C(=O)[C@H]2CCCO2)CC1 3504269 IUTZFQOZALBGMU-MRXNPFEDSA-N 360.410 0.850 0 40 FCAB COc1ccc(N2C[C@@H](NC(=O)NCCNC(C)=O)CC2=O)cc1OC 4479847 GUTOKVZBNWXRPT-LBPRGKRZSA-N 364.402 0.244 0 40 FCAB COC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 4673122 CNDSWJGYIOTWMA-AAEUAGOBSA-N 363.757 0.898 0 40 FCAB COc1cc(CNCCCSc2nnnn2C)ccc1OCC(N)=O 7541480 GGVDQXAWNZRAKA-UHFFFAOYSA-N 366.447 0.355 0 40 FCAB COC(=O)C1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 8939066 QAWNYPMBHMZPHI-XIKOKIGWSA-N 365.430 0.899 0 40 FCAB Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccc(Cl)cn1 9314195 YKPANKBXLHJYHU-UHFFFAOYSA-N 372.790 0.516 0 40 FCAB Cn1nccc1C(=O)N1CCC(c2nnsc2S(C)(=O)=O)CC1 12121446 KPFSPWZEMCAUHM-UHFFFAOYSA-N 355.445 0.695 0 40 FCAB COc1ccc(C(=O)Nc2ccnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 13010997 WBVHWJUPJYEZHB-UHFFFAOYSA-N 370.365 0.902 0 40 FCAB CN(C)CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245447 HORLYUMCRDHPAJ-UHFFFAOYSA-N 360.455 0.506 0 40 FCAB O=C(CCn1nc(O)ccc1=O)OCCN1C(=O)c2ccccc2C1=O 23042970 VTMADXYERBXHMW-UHFFFAOYSA-N 357.322 0.178 0 40 FCAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC(C(N)=O)CC1 26536568 MWCNNTWLFMXWRY-JTQLQIEISA-N 357.407 0.216 0 40 FCAB O=C(Cc1ccc(-n2cnnn2)cc1)NN1C(=O)NC2(CCCCC2)C1=O 30672709 VZHLUODBNOUGDE-UHFFFAOYSA-N 369.385 0.491 0 40 FCAB CCOC(=O)[C@H]1CCCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 58014215 BDTKOZIWVVXOFH-KBPBESRZSA-N 360.410 0.919 0 40 FCAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccc(=O)[nH]c1 85467615 YZUWQVZWBOULNN-OAHLLOKOSA-N 358.373 0.880 0 40 FCAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C(N)=O)cc21 95415181 VQSMIWDPOXXSLK-CYBMUJFWSA-N 351.428 0.945 0 40 FCAB O=C(N[C@H]1CCSc2c(F)cccc21)c1cn(CCO)c(=O)[nH]c1=O 95451441 VWUFGGQWVAPJEI-LBPRGKRZSA-N 365.386 0.635 0 40 FCAB Cc1cccc(C(=O)N2CC[C@@H]3CN(S(C)(=O)=O)CCO[C@@H]3C2)n1 96055191 CHIZMLRKIUGCNP-UKRRQHHQSA-N 353.444 0.513 0 40 FCAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N=c3[nH]cc[nH]3)C2=O)cc1 96231683 UVJJMZMKOJIXOX-ZDUSSCGKSA-N 357.370 0.680 0 40 FCAB COC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 101092076 CNDSWJGYIOTWMA-WCQYABFASA-N 363.757 0.898 0 40 FCAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCN1C(=O)c2ccccc2C1=O 102401411 BOKUUODCPSGILL-VXGBXAGGSA-N 370.361 0.959 0 40 FCAB O=C(c1c[nH]nn1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 108998849 FODWVCGQXKYJEG-UHFFFAOYSA-N 354.414 0.542 0 40 FCAB O=C(O)c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(=O)c1CN1CCOCC1 222665114 ROSDFIQTWBPAAA-UHFFFAOYSA-N 365.773 0.710 0 40 FCAB O=C(CN1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CCOCC1 247797579 SJUQGOWXIDKGQB-UHFFFAOYSA-N 359.352 0.476 0 40 FCAB Cc1cccc(C(=O)N2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)n1 248098301 NATQFAKAGLOCLL-ZDUSSCGKSA-N 353.444 0.560 0 40 FCAB CCc1nc(CNC(=O)[C@H]2[C@@H]3C(=O)N(C4CCCC4)C[C@@]34C=C[C@H]2O4)no1 252311083 SDOISGIFHJKEQE-GABDYKALSA-N 372.425 0.973 0 40 FCAB Cc1cc([C@@H]2CCCCN2C(=O)CNS(C)(=O)=O)nc2ccnn12 257261493 LHOBSWOULHIANI-ZDUSSCGKSA-N 351.432 0.641 0 40 FCAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCCCO 409392615 SCOMLADDZARQGB-UHFFFAOYSA-N 356.444 0.657 0 40 FCAB CCn1cc(O[C@@H]2CN(CC(=O)NCc3ccccc3C)C[C@H]2O)cn1 625622856 WRHODDXZURZOFJ-QZTJIDSGSA-N 358.442 0.952 0 40 FCAB Cc1noc(CC(=O)N2CC[C@@]3(CCc4nnc(C(=O)NC(C)C)n43)C2)n1 2055794512 XFMCBDNUNAISJW-KRWDZBQOSA-N 373.417 0.224 0 40 FCAB C[C@@H](O)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1 7425707 HESHXOGHSVJDMX-LLVKDONJSA-N 359.386 0.295 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)OCC(=O)NC3CCCCCC3)cnc21 11482803 HBZLVKCFIBIVNR-UHFFFAOYSA-N 361.402 0.512 0 40 FCAB C[C@H]1CN(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)C[C@@H](C)O1 15151691 QMOVCJXCKRPNKH-TXEJJXNPSA-N 359.382 0.645 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCN2CCOCC2)cc1 16309316 QNDVFZUVCUSHNF-UHFFFAOYSA-N 355.460 0.064 0 40 FCAB C[C@@H]1C[C@H]1c1ccc(CN(C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 17523925 DZISXMYIXSPLQO-ZYHUDNBSSA-N 360.414 0.697 0 40 FCAB CCCNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 22795721 MXHDCTZVHFNEOZ-INIZCTEOSA-N 350.438 0.757 0 40 FCAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC[C@H]2CCCO2)cc1 28209444 YUFOYTUWBKYVLP-UKRRQHHQSA-N 366.439 0.970 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 36352765 VSMOFMIRWQZVSM-UHFFFAOYSA-N 370.475 0.466 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC(C)C)CC2)cc1 36383937 JUDZYGVDHUZUDH-AWEZNQCLSA-N 369.487 0.915 0 40 FCAB CCCn1nnnc1CSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C 39996364 WRDNITXQWHXXLN-SECBINFHSA-N 357.465 0.406 0 40 FCAB CN(C)CCn1ccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)n1 58158246 IKVLTJQBNKTSSF-UHFFFAOYSA-N 358.377 0.932 0 40 FCAB CCN(CC)[C@@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccco1 58281601 HPHYKHXTNWOIBN-AWEZNQCLSA-N 372.429 0.922 0 40 FCAB O=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 77101352 UCXVYIJAHCNKBU-OAHLLOKOSA-N 369.377 0.903 0 40 FCAB O=S(=O)([C@H]1CCCN(c2ccc3nccnc3n2)C1)N1CCOCC1 95999613 DNPPGMOWARQOLZ-ZDUSSCGKSA-N 363.443 0.656 0 40 FCAB COc1cccc2[nH]c(C(=O)N3CCN(C(C)=O)[C@H](C(=O)N(C)C)C3)cc12 257220394 DKQJGWIDAJFVQJ-INIZCTEOSA-N 372.425 0.938 0 40 FCAB CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)CCCn1cccn1 257251757 JSBYQQCOMWBXFH-SFHVURJKSA-N 358.446 0.943 0 40 FCAB CNC(=O)[C@@H]1CNCCN1C(=O)CCn1c(=O)oc2cc(Cl)ccc21 257276774 NVARPVSPFLBUJQ-LBPRGKRZSA-N 366.805 0.184 0 40 FCAB COC(=O)c1ccc(NC(=O)C(=O)N(C)CCN2CCCC2=O)cc1F 526380193 YFDLUMQMBIBBGB-UHFFFAOYSA-N 365.361 0.632 0 40 FCAB Cn1cnc(C(=O)N2CCOC[C@H]2c2nccc(N3CCCCC3)n2)n1 585113131 GUDJEJPAFUESMA-ZDUSSCGKSA-N 357.418 0.809 0 40 FCAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H](OCC3CC3)C2)c1 681691179 RNCLTNDWXOKZQI-ZDUSSCGKSA-N 374.484 0.914 0 40 FCAB Cn1ccnc(NC[C@H]2CN(Cc3cn4ccccc4n3)CCO2)c1=O 681919794 JJZPMNQXBHNBKV-HNNXBMFYSA-N 354.414 0.741 0 40 FCAB Cc1c([C@@H]2[C@H](C(=O)N(C)CCN3CCCC3=O)CC(=O)N2C)cnn1C 683318567 KZKMTAYMAFSKGN-DYVFJYSZSA-N 361.446 0.329 0 40 FCAB CCN1C[C@@H](C(=O)NCc2cc3n(n2)CCCO3)[C@H](c2cn(C)cn2)C1 1614996006 ULNYEUOEHSMUJB-HUUCEWRRSA-N 358.446 0.751 0 40 FCAB COc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCOCC4)cnc32)cc1 1330738 GPPCQAXYZVHOET-UHFFFAOYSA-N 369.381 0.450 0 40 FCAB CCOC(=O)C(C(=O)OCC)N(C#N)c1nc(SC)nc(N(C)C)n1 2250739 XWNVIHWUNDNBSG-UHFFFAOYSA-N 368.419 0.442 0 40 FCAB aggregator Cn1c(=O)c2[nH]c(SCC(=O)N3CCCCCC3)nc2n(C)c1=O 6188070 ZGUVKQBENHCQQU-UHFFFAOYSA-N 351.432 0.455 0 40 FCAB CCOC(=O)CN1C(=O)C(=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 6655570 UHGJRADZHNUIGD-UHFFFAOYSA-N 371.349 0.400 0 40 FCAB CC[C@H](C)[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)OC 7398791 DARKTBPLNRYMML-HZMBPMFUSA-N 368.411 0.535 0 40 FCAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCNC2=O)C1=O 8749525 ULNJMFPKLVBQRR-HNNXBMFYSA-N 350.762 0.659 0 40 FCAB CS(=O)(=O)NC1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 8768127 MKRPANXKAGGLEB-UHFFFAOYSA-N 350.400 0.077 0 40 FCAB CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@H](C)COC)c3=O)cc1 12234060 UFDYXLFBMGJRBL-GFCCVEGCSA-N 373.413 0.953 0 40 FCAB COCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16022185 WGFCRLFNEGONIT-CUYVQJCZSA-N 373.384 0.699 0 40 FCAB CCN1C[C@H](CN(C)CCS(=O)(=O)CCC(N)=O)Oc2ccccc21 16423371 BBQOLRYHWWHUIH-AWEZNQCLSA-N 369.487 0.496 0 40 FCAB CNC(=O)c1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 22410671 HEZDGXSXOODUHV-UHFFFAOYSA-N 369.424 0.494 0 40 FCAB CCS(=O)(=O)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556213 YVCAZLMUNMNUCJ-UHFFFAOYSA-N 364.427 0.873 0 40 FCAB O=C1Cc2cc(S(=O)(=O)NCC(=O)NC3CCCCC3)ccc2N1 36105602 SWGVBRAXOHRRMA-UHFFFAOYSA-N 351.428 0.908 0 40 FCAB NC(=O)NC(=O)CCN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52110452 CFPVZKCJLADELO-UHFFFAOYSA-N 356.785 0.822 0 40 FCAB Cc1nc(CNC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)oc1C 58157247 LTQFYBMIBFCIRG-UHFFFAOYSA-N 374.401 0.135 0 40 FCAB COC(=O)N1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 60345178 YCVCCELLMCREBR-OAHLLOKOSA-N 358.402 0.758 0 40 FCAB CC(=O)N[C@@H](CSC(=O)c1ccc(CO[N+](=O)[O-])cc1)C(=O)N(C)C 68605878 VJFHJPAWPSEAMN-ZDUSSCGKSA-N 369.399 0.861 0 40 FCAB biogenic CCOC(=O)N1CCN(C(=O)CN2CC(c3nc(C4CC4)no3)C2)CC1 75156383 FSQTWBIFWMHDBA-UHFFFAOYSA-N 363.418 0.647 0 40 FCAB COCCn1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 79493221 UJMHXGMQXGVEBF-GFCCVEGCSA-N 364.423 0.565 0 40 FCAB CCN1CCN(CC(=O)N2CCC[C@H]2c2ccc(COC)o2)C(=O)C1=O 97147855 CEPQZVBVNNPGCY-AWEZNQCLSA-N 363.414 0.780 0 40 FCAB O=c1n([C@@H]2CCS(=O)(=O)C2)c2ccccc2n1[C@@H]1CCS(=O)(=O)C1 217356555 XRQZSKMIMSXUFP-VXGBXAGGSA-N 370.452 0.522 0 40 FCAB COc1ccccc1N1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)CC1 225676445 DVRGCYXXWBWGPY-YVSFHVDLSA-N 358.394 0.998 0 40 FCAB CN(CCO)[C@H]1[C@H](NC(=O)c2ccccn2)C[C@@H](Oc2ccccc2)[C@@H]1O 257235702 GYZQIOJXQULZLR-YRXWBPOGSA-N 371.437 0.685 0 40 FCAB Cn1c(C(=O)N2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)cc2cc(F)ccc21 257264050 LSSKSBSHLYHWPD-BXUZGUMPSA-N 355.391 0.052 0 40 FCAB Cc1cc2nc(C3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)CC3)cc(O)n2n1 257322504 WGFPJGKBGBUVLY-CYBMUJFWSA-N 357.414 0.928 0 40 FCAB CNC(=O)[C@@H]1CN(CC(=O)N2CCCc3ccccc32)CCN1C(C)=O 257332841 XYYAWIZOIJMYDA-KRWDZBQOSA-N 358.442 0.245 0 40 FCAB COCC(=O)NCC[C@@H]1CN(c2ccc3nncn3n2)Cc2ccnn21 306127423 FYKCWKCTKVRHFU-GFCCVEGCSA-N 356.390 0.035 0 40 FCAB O=S1(=O)C[C@H](O)[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575425669 WFWLUMPAWIZDCH-UWVGGRQHSA-N 360.240 0.430 0 40 FCAB O=S(=O)(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccc2c(c1)COC2 643771051 HGLSBINNMQNRGB-UAGQMJEPSA-N 352.456 0.983 0 40 FCAB Cc1c(CN[C@H]2CCc3onc(CNS(C)(=O)=O)c3C2)cnn1C 2055731768 TZQQIVNNWSRMII-LBPRGKRZSA-N 353.448 0.413 0 40 FCAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)Cn2ccnn2)C1 2055754588 GFMIZHGYSAHLCC-GOSISDBHSA-N 356.430 0.840 0 40 FCAB CC[C@@H](C)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1 4043063 NZLBBWKRFWAHOK-VGRIBUJFSA-N 353.415 0.523 0 40 FCAB biogenic Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nccs1 6818986 DVTHHYMRKZRJAT-UHFFFAOYSA-N 356.429 0.755 0 40 FCAB CCNC(=O)[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 8314031 XAGIMXHKEFUVDF-SNVBAGLBSA-N 357.432 0.200 0 40 FCAB Nc1cccc(S(=O)(=O)Nc2c(N)nc(SCC(=O)O)nc2O)c1 8651775 ALCOJKJIXBNNQY-UHFFFAOYSA-N 371.400 0.324 0 40 FCAB O=C(OCC(=O)N1CCNC1=O)c1ccc(=O)n(Cc2ccccc2)n1 8734066 XZDWNMNTQNPPGZ-UHFFFAOYSA-N 356.338 0.000 0 40 FCAB COc1ccc2c(c1)OC1(CCN(C(=O)Cn3nccn3)CC1)CNC2=O 12226320 SFNQRWDXIYPJDF-UHFFFAOYSA-N 371.397 0.470 0 40 FCAB CS(=O)(=O)c1ccc2sc(NC(=O)CCn3cnnn3)nc2c1 12371840 VCQFKKCABVGLAX-UHFFFAOYSA-N 352.401 0.715 0 40 FCAB O=C1NC2(CCCCC2)C(=O)N1CN(C1CC1)[C@H]1CCS(=O)(=O)C1 12999831 QOBSZZIZRDJDEH-ZDUSSCGKSA-N 355.460 0.850 0 40 FCAB CC(C)(C)N1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566399 DFHPXOXRDNBREJ-BNVDUDBASA-N 370.409 0.081 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)CCc3ccc4c(c3)OCCO4)CC2)N1 22281728 AYGKOSPDYGUOIK-UHFFFAOYSA-N 359.382 0.591 0 40 FCAB NC(=O)NC(=O)CN1CCN(Cc2ccc(Br)s2)CC1 23248879 KJVDKXWZOTVAAK-UHFFFAOYSA-N 361.265 0.823 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc12 24690387 DQWXCMKHKQSHNI-LLVKDONJSA-N 364.427 0.467 0 40 FCAB COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N(C)C)c1OC 33026304 NCVDLDQQNFTAPY-UHFFFAOYSA-N 358.416 0.427 0 40 FCAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCc2ccc(O)cc2)c1 40286973 VHWDDBOLMNJMGJ-UHFFFAOYSA-N 366.381 0.974 0 40 FCAB COCCNC(=O)CSc1nnc2c(=O)n(Cc3ccccc3)ccn12 48988169 LFUUTZRKGSPSNA-UHFFFAOYSA-N 373.438 0.794 0 40 FCAB CCOCCNC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 53959834 IVXKWNJIIWLYJL-UHFFFAOYSA-N 360.432 0.525 0 40 FCAB Cc1nn(C(F)F)c(C)c1CC(=O)NCCN1CCCS1(=O)=O 61597345 LVBNTJAXJWRUGC-UHFFFAOYSA-N 350.391 0.589 0 40 FCAB O=C(CCN1C(=O)c2ccncc2C1=O)NCc1nnc2ccccn12 79495637 BIZOWAOZMCZGHZ-UHFFFAOYSA-N 350.338 0.427 0 40 FCAB NC(=O)[C@H]1CC(C(=O)N2CCc3cncnc3C2)=NN1c1ccccc1 95396056 RBKSENNQEKEECS-MRXNPFEDSA-N 350.382 0.482 0 40 FCAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCCc1nnc2ccccn12 95478803 WFAUETKRRWAIQL-UHFFFAOYSA-N 366.425 0.914 0 40 FCAB COCCCCS(=O)(=O)N1CCCN(CC(=O)N2CCCC2)CC1 95945094 ZSYHSWGASURTES-UHFFFAOYSA-N 361.508 0.373 0 40 FCAB Cn1nc2c(cc1=O)CN(C(=O)NCCOc1ncccc1Cl)CC2 95966440 DMHKLVYVTGMSCC-UHFFFAOYSA-N 363.805 0.975 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NC2CCN(c3nccs3)CC2)CC1 96099796 FMOGBZCNZAVHBM-UHFFFAOYSA-N 372.516 0.900 0 40 FCAB CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1c(C)nn(C)c1C)CC[C@H]2OC 96108532 YIEOPZBCKXHPOT-RRFJBIMHSA-N 356.492 0.767 0 40 FCAB CN(C)CC(=O)N1CCc2sc(C(=O)NCCN3CCOCC3)cc21 96264515 BBESSKONMUBWID-UHFFFAOYSA-N 366.487 0.261 0 40 FCAB CN(C)C(=O)[C@H]1CCCN1CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 96993517 UKINJIFLJVFSBU-GFCCVEGCSA-N 359.382 0.497 0 40 FCAB COCC(=O)N1CCC2(CC1)CN(Cc1cccnc1)C[C@]21CCNC1=O 97952850 CHUKXAXKJDZGJP-FQEVSTJZSA-N 372.469 0.659 0 40 FCAB COCCN1C(=O)C[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(OC)cc1 107251596 HSATVODGAKUDOP-GJZGRUSLSA-N 354.428 0.706 0 40 FCAB CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1O 204956827 XBIBUXBARDPHCJ-NSHDSACASA-N 355.460 0.982 0 40 FCAB in-vitro CCc1ccc(S(=O)(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 244271588 WORVPUCCPRSRDF-HNNXBMFYSA-N 374.528 0.988 0 40 FCAB O=S(=O)(NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21)C1CC1 247359320 YYECLPXFDYFWBO-OAHLLOKOSA-N 354.476 0.891 0 40 FCAB CN(CC1(O)CCN(c2nccn3cccc23)CC1)C(=O)CCC(=O)O 257279262 OFUSDNGVZHYZJM-UHFFFAOYSA-N 360.414 0.989 0 40 FCAB COCC(=O)N1CC2(CCN(Cc3cn(C)cn3)CC2)C[C@@]1(C)CO 257302506 SDEAVBQSAXTZNO-KRWDZBQOSA-N 350.463 0.632 0 40 FCAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3ncccn3)CC2)cn1 257327441 XBJQIPLCZNLTLQ-UHFFFAOYSA-N 354.414 0.998 0 40 FCAB CCn1cc(CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cn1 331518804 YVILCXAYZONWMX-UHFFFAOYSA-N 367.475 0.980 0 40 FCAB Cc1c(C)[n+]([O-])c([C@@H](c2cccnc2)C2C(=O)N(C)C(=O)N(C)C2=O)n1C 524735259 LZMMDTYZXDYLAN-ZDUSSCGKSA-N 371.397 0.469 0 40 FCAB Cc1cc(C(=O)N2Cc3cccn3C[C@@H](CCNS(C)(=O)=O)C2)no1 585095579 YYQOMTOBQWQLMX-CYBMUJFWSA-N 366.443 0.996 0 40 FCAB O=C(O)[C@@H]1CC[C@H](C(=O)N2CCN(c3nc4ccccc4o3)CC2)CN1 657213557 NTWPDWAZBONGEB-JSGCOSHPSA-N 358.398 0.929 0 40 FCAB COCc1ccc(C(=O)N2CCO[C@@H](CN(CC(=O)O)C(C)=O)C2)cc1 681943245 UXGQAEPCTXMWTB-MRXNPFEDSA-N 364.398 0.607 0 40 FCAB Cc1cc(C)n(-c2cncc(N3C[C@H](n4ccnn4)[C@H](N(C)C)C3)n2)n1 685940100 QHEUWEUTEFMUEW-CABCVRRESA-N 353.434 0.862 0 40 FCAB Cn1cc(N2C[C@]3(CCN(C(=O)CCc4cncnc4)C3)CC2=O)cn1 1615067340 ZLILAHBBXHYRGR-GOSISDBHSA-N 354.414 0.798 0 40 FCAB O=C(c1cnn[nH]1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888853732 ZUPPOWLBCWXGRS-DTORHVGOSA-N 353.308 0.822 0 40 FCAB Cc1ccc(OC[C@@H](O)Cn2c(N)nc3c2c(=O)[nH]c(=O)n3C)cc1C 4371005 YULHJARBXXEOLK-NSHDSACASA-N 359.386 0.062 0 40 FCAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCC(=O)O 5322383 QGNJOQFKKKQZNB-WDEREUQCSA-N 365.361 0.274 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NN1CCN(C)CC1 5560532 NALYPZQGVZRGNJ-UHFFFAOYSA-N 371.532 0.694 0 40 FCAB Cn1c(N)c(C(=O)CNc2ccc(Br)cc2)c(=O)n(C)c1=O 7781939 JLLQADUMMHQHSY-UHFFFAOYSA-N 367.203 0.724 0 40 FCAB CCN1C(=O)C(=O)N(CC(=O)N(C)CCOc2ccc(Cl)cc2)C1=O 8206779 VVNLYFHKALXJPL-UHFFFAOYSA-N 367.789 0.988 0 40 FCAB CN(Cc1ccccc1N1CCOCC1)Cc1cc(=O)n(C)c(=O)n1C 8728348 CIBDCPWSSWAXKE-UHFFFAOYSA-N 358.442 0.553 0 40 FCAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 15566326 DEEXZCIKYVJQKM-UHFFFAOYSA-N 354.322 0.953 0 40 FCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccccc1 20636866 WIYSVAUOZLWRKP-GJZGRUSLSA-N 358.398 0.167 0 40 FCAB CCOC(=O)c1nc(-c2nn(-c3ccc(C)cc3)c(=O)n(CC)c2=O)no1 21147201 FYHBTHDWVHHETM-UHFFFAOYSA-N 371.353 0.949 0 40 FCAB COc1ccc(C)cc1CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 22916090 CYTLPLUEMQCZQM-JKSUJKDBSA-N 354.472 0.279 0 40 FCAB O=C(CCN1C(=O)CCC1=O)Nc1ccccc1C(=O)N1CCOCC1 27975109 WHHSJOOTZCQOEI-UHFFFAOYSA-N 359.382 0.637 0 40 FCAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2)c1 40285598 JAVSPFATJKGXKB-INIZCTEOSA-N 366.381 0.759 0 40 FCAB O=C(NCCCn1ccnc1)c1cn(C[C@H]2CCCO2)cc2c(=O)[nH]nc1-2 42380791 ALYBKTNRYPQUMD-CYBMUJFWSA-N 370.413 0.872 0 40 FCAB Cc1cc(C)n2nc(CC(=O)NCc3cccnc3-n3cncn3)nc2n1 48235619 QAUCGSKATSSQJV-UHFFFAOYSA-N 363.385 0.576 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)Cc2ccccc2Cl)CC1 58180563 MGTYRJIFLIQOGJ-GFCCVEGCSA-N 366.849 0.871 0 40 FCAB Cc1ccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(O)c1 58197914 HZHFUFIOKGQUPE-UHFFFAOYSA-N 359.382 0.134 0 40 FCAB CNC(=O)[C@H](CSC(=O)c1ccc(CO[N+](=O)[O-])cc1)NC(C)=O 68605725 MZTNHBGKTWISDZ-LBPRGKRZSA-N 355.372 0.519 0 40 FCAB biogenic O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCOCC1 69921543 DKOVSYKXXJENBB-IBGZPJMESA-N 358.442 0.863 0 40 FCAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cccnc1OC)C2 247832691 HXFWIBGXJNXYBM-LBPRGKRZSA-N 354.428 0.756 0 40 FCAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2ncc(CNC(C)=O)[nH]2)C1 257241494 HYFZHSCEZJUPRR-CYBMUJFWSA-N 359.452 0.006 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccn(Cc2ccccc2F)c1=O 257278334 OBVSDXQSKNSSQK-CYBMUJFWSA-N 364.398 0.953 0 40 FCAB CC[C@@H]1CN(C(=O)Cn2c(=O)nc(O)c3ccccc32)C[C@]2(CCOC2)O1 330166631 YEHOHTGDGQXLRF-YJYMSZOUSA-N 373.409 0.899 0 40 FCAB CN(C)C(=O)C[C@]1(O)COCCN(Cc2ccc3c(c2)OCCO3)C1 585280045 AAGNKIXGOWEXDY-GOSISDBHSA-N 350.415 0.499 0 40 FCAB O=C(NCCS(=O)(=O)N1CCSCC1)c1n[nH]c2c1CCCC2 593229393 UKCSQZUMDBLUPT-UHFFFAOYSA-N 358.489 0.397 0 40 FCAB COCCN1C(=O)CO[C@@H]2CN(C(=O)c3ccc(OC)cc3OC)C[C@H]21 2055751449 ZOSPQAJZXMEXLH-GDBMZVCRSA-N 364.398 0.402 0 40 FCAB Cc1cc(C)n(-c2cc(N3CCN(Cc4ncnn4C)CC3)ncn2)n1 2087143621 UCXHMPHXJBPPJU-UHFFFAOYSA-N 353.434 0.730 0 40 FCAB O=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCCC1 1362921 OCMPWSUZSMCVPD-UHFFFAOYSA-N 374.484 0.882 0 40 FCAB O=C(COc1ncnc2sccc12)NCCN1C(=O)CSC1=O 2621891 YGNWIIZGHFJSNH-UHFFFAOYSA-N 352.397 0.882 0 40 FCAB C[C@H]1C[C@@H](C)CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 3455642 KMYZFKUOEQFQIN-OKILXGFUSA-N 353.488 0.971 0 40 FCAB COC(=O)C1=C(N)Oc2ccccc2[C@@]12C(=O)N(C)C(C)=C2C(=O)OC 4517085 PSCQDWOVTZSVBH-SFHVURJKSA-N 358.350 0.579 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC[C@@H](C(N)=O)C2)c1 8339293 HIXAXNDUSBKIOS-CQSZACIVSA-N 367.471 0.696 0 40 FCAB CC(=O)N[C@@]12CCN(C)C[C@@H]1CN(S(=O)(=O)Cc1ccc(C)cc1)C2 19713626 RZGHFAVRZAFSJK-QZTJIDSGSA-N 365.499 0.967 0 40 FCAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1C[C@@H](C)O[C@H](C)C1 20062058 QQDMGXPXGWRXQV-GHMZBOCLSA-N 374.445 0.402 0 40 FCAB NC(=O)c1cc(NC(=O)Cc2ccc(S(N)(=O)=O)s2)ccc1F 25145553 ARVVBIVIWFMSLS-UHFFFAOYSA-N 357.388 0.815 0 40 FCAB C[C@H]1CC(=O)Nc2c1c(NC(=O)C1CCN(S(C)(=O)=O)CC1)nn2C 35597820 INIWXIWHSSYOFX-VIFPVBQESA-N 369.447 0.476 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccco3)CC2)CC1 36611206 JPCSTFLZXMAHLQ-UHFFFAOYSA-N 355.460 0.595 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCN(C)C)C1 41209626 HQUAVBWCJSKFFN-ZDUSSCGKSA-N 358.464 0.370 0 40 FCAB Cn1c(=O)[nH]c2ccc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@@H]3C4)cc2c1=O 45222109 YUNKCEKGCVMCMF-QJPTWQEYSA-N 363.439 0.941 0 40 FCAB COc1ccc(CNC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cn1 45636215 KBLOJAXXRDFLDY-HOTGVXAUSA-N 364.446 0.627 0 40 FCAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCN(CC(=O)N(C)C)CC1 58210743 WWUHTNCEXPAVMB-UHFFFAOYSA-N 374.470 0.755 0 40 FCAB CC(=O)N[C@@H]1[C@H](Oc2c[nH]c3cc(Cl)ccc23)O[C@H](CO)[C@H](O)[C@H]1O 71789620 BPAUSWAPDXGBCS-OLMNGRFOSA-N 370.789 0.144 0 40 FCAB in-vitro CCCn1nccc1C(=O)NC1CCN(S(=O)(=O)CCOC)CC1 72265412 XGUFUWOVGDTSKC-UHFFFAOYSA-N 358.464 0.464 0 40 FCAB Cc1cc(C(=O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)c(C)s1 72313173 NYKQCUYHNSTGDI-LLVKDONJSA-N 350.400 0.575 0 40 FCAB Cc1nccn1-c1cncc([C@H]2CCCN2CC(=O)N2CCOCC2)n1 72378727 VRQZUVLMUXKCAY-MRXNPFEDSA-N 356.430 0.966 0 40 FCAB CC(C)C(=O)N1CCN(C(=O)c2ccncc2)C[C@@]2(CC(=O)N(C)C2)C1 96036067 SVICJHDONUKSBL-LJQANCHMSA-N 358.442 0.871 0 40 FCAB CNC(=O)COc1ccc(S(=O)(=O)NCCC(=O)NC(C)C)cc1C 96193165 XZWZZNSSMIGWBA-UHFFFAOYSA-N 371.459 0.313 0 40 FCAB O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN(CC3CC3)C[C@H]21 96252052 YRHMEECTUVJKPD-LSDHHAIUSA-N 364.471 0.419 0 40 FCAB CN(CCCC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccccc1 219719571 ZEMNHEFYUHZNJC-UHFFFAOYSA-N 369.487 0.536 0 40 FCAB Cc1c[nH]c(-c2nccnc2C[C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257212284 CCQVCRIYVNXFLH-LBPRGKRZSA-N 350.448 0.846 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2nccnc2-c2ccnn2C)CC1 257213880 CJLMXTJXNKBDKV-UHFFFAOYSA-N 364.475 0.938 0 40 FCAB O=C(C[C@@H]1CN(c2ccc3nncn3n2)Cc2ccnn21)N1CCCO1 306128157 GSFHVKTVIPZDQI-CYBMUJFWSA-N 354.374 0.436 0 40 FCAB O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@@H](c1cccc(F)c1)N1CCOCC1 607906251 OVWMTUZOKJBOPZ-HZPDHXFCSA-N 370.446 0.892 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)NC[C@H]1CCCN1c1ncccn1 618256798 MPOXVFLUJCGKJJ-CQSZACIVSA-N 364.409 0.972 0 40 FCAB Cc1cc2ncc(C(=O)N3C[C@@H](O)[C@H](Oc4cnn(C)c4)C3)c(C)n2n1 628257351 JVOCPLFVIFENRJ-HUUCEWRRSA-N 356.386 0.344 0 40 FCAB Cc1cc(O)cc(=O)n1CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1547212351 QBKALOKJLHOVPQ-KGLIPLIRSA-N 355.394 0.670 0 40 FCAB biogenic COc1ncc(C2(O)CCN(c3ncnc4[nH]cnc34)CC2)c(OC)n1 2037844065 MWLFUCQCEWVOBN-UHFFFAOYSA-N 357.374 0.648 0 40 FCAB O=C(Nc1cccnc1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 6923166 OVMOVQBYYRUSGB-HIFRSBDPSA-N 365.386 0.983 0 40 FCAB O=C(O)CCC(=O)N(CCS(=O)(=O)N1CCCC1)Cc1cccnc1 9060670 IWRUKHAFXSWABB-UHFFFAOYSA-N 369.443 0.701 0 40 FCAB CCNS(=O)(=O)c1cc(S(=O)(=O)NCC)c(OC)cc1OC 17073050 VTDDDHJEZJCEEF-UHFFFAOYSA-N 352.434 0.300 0 40 FCAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 19291935 VIHSWTNCBLPESA-STQMWFEESA-N 365.455 0.330 0 40 FCAB NC(=O)CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1 24032115 YHLHTHKIUIAORN-UHFFFAOYSA-N 365.434 0.994 0 40 FCAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2nccnc2N)cc1 24978398 UQVGXKJJXCJVJM-UHFFFAOYSA-N 366.399 0.545 0 40 FCAB CCc1ccc(OC[C@H](O)CN2CCN(CC(=O)NC3CC3)CC2)cc1 32772977 QKLZWPOXBFRMNO-GOSISDBHSA-N 361.486 0.885 0 40 FCAB Cc1cc(C)n(CCNC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)n1 41070537 NXTSRNHDVNSANF-UHFFFAOYSA-N 351.432 0.134 0 40 FCAB COCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(C)on2)c1=O 57485918 PZXDYQWIHSFAKP-UHFFFAOYSA-N 364.383 0.806 0 40 FCAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)N1CCSCC1 71328934 NYIDRLJQDFLOKZ-CQSZACIVSA-N 363.487 0.877 0 40 FCAB CCN(CC)C(=O)CCCNC(=O)c1ccc(S(N)(=O)=O)c(F)c1 72310131 UZKZHYCJJIGGSZ-UHFFFAOYSA-N 359.423 0.852 0 40 FCAB CN(C)C(=O)[C@@H]1CN(C[C@@H]2CCOC2)C[C@]12Cc1ccccc1C(=O)N2 72334446 JCFWAFLSXJGXOY-GZRFBZBPSA-N 357.454 0.768 0 40 FCAB CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](C(=O)O)(C(C)C)C(=O)N12 77312009 BRHAPIBGUBQOTE-SONRMIBWSA-N 354.403 0.390 0 40 FCAB in-vitro Cc1nc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nn1-c1ccc(F)cc1 84280473 JDZWULPIQYYYAP-ZDUSSCGKSA-N 352.391 0.974 0 40 FCAB Cc1cnc(N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)nc1 96145624 HQWCJFFTWGLNDY-ZIAGYGMSSA-N 367.475 0.104 0 40 FCAB COCCN(C)C(=O)c1ccc2nnc([C@@H]3CCN(C(=O)N(C)C)C3)n2c1 96267619 LYAWCMZLKKMMEH-CYBMUJFWSA-N 374.445 0.919 0 40 FCAB Cn1nccc1C(=O)N1C[C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 257217853 DAWVKULDKACHRD-HZPDHXFCSA-N 358.373 0.811 0 40 FCAB O=C(Cc1ccc2c(c1)CCO2)N1CCN(c2cncc3ncnn23)CC1 275503863 BGGAMJPLKZFOMQ-UHFFFAOYSA-N 364.409 0.951 0 40 FCAB Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 281642654 RDFSUOLSLOWTRK-MOPGFXCFSA-N 374.441 0.415 0 40 FCAB C[C@H](NS(=O)(=O)c1ccc(C(=O)O)cc1F)C1(S(C)(=O)=O)CC1 505865172 XEMABMYEJINROF-QMMMGPOBSA-N 365.404 0.768 0 40 FCAB Cn1c(O)ncc(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)c1=O 575618061 YPONXGAHJAABEU-JTQLQIEISA-N 359.386 0.841 0 40 FCAB O=C(C[C@@H]1C[C@H]2CN(C(=O)C3CC(O)C3)C[C@H]2O1)NCc1cccnc1 585109467 RTTYQRRNMGKFHK-SSNHOHEISA-N 359.426 0.475 0 40 FCAB CN(C)c1ccc(NC(=O)C(=O)N2CCc3c(cccc3C(N)=O)C2)cn1 658990447 UXBUVIICKBEEDB-UHFFFAOYSA-N 367.409 0.770 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1 1565542913 FMHZESFRPSHALD-KNCOVGOOSA-N 360.414 0.106 0 40 FCAB O=C1COC2(CCN(C(=O)NCc3ccncc3OCC(F)F)CC2)N1 1615591851 TUELNEPFAWQCHZ-UHFFFAOYSA-N 370.356 0.874 0 40 FCAB COc1ccc(N2C[C@@H](NC(=O)NC(C)(C)CO)CC2=O)cc1OC 4479787 MFPNYKRKJWOCRT-NSHDSACASA-N 351.403 0.879 0 40 FCAB CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)cccc12 4517178 LRBOEWHGZIFPKV-GFCCVEGCSA-N 365.411 0.513 0 40 FCAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C 6269086 VRZOKGAOPIEGQR-LBPRGKRZSA-N 370.427 0.636 0 40 FCAB CCOC(=O)Cc1csc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)n1 11173772 JDZHUBRCUAXUGK-UHFFFAOYSA-N 366.399 0.505 0 40 FCAB COc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)c(OC)c1 12647901 OMXWDQIVZOCVRL-UHFFFAOYSA-N 357.370 0.603 0 40 FCAB NC(=O)c1cccnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 13019520 MBPIOMYXQXMGQJ-UHFFFAOYSA-N 360.439 0.833 0 40 FCAB COc1ccc(C2(CN[C@@H]3CS(=O)(=O)C[C@H]3O)CCOCC2)cc1 13726913 QBVMZOXXMVABGV-HZPDHXFCSA-N 355.456 0.491 0 40 FCAB COCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19593085 VCZJHNFRCHNPEY-ZDUSSCGKSA-N 374.441 0.417 0 40 FCAB O=C(NCCCn1ncccc1=O)[C@H]1COCC(=O)N1Cc1ccccc1 75164265 REJREPRPIXCVRG-MRXNPFEDSA-N 370.409 0.177 0 40 FCAB O=C1CO[C@@]2(COCCN(Cc3ccccn3)C2)CN1c1cncnc1 96240165 VKSYFPUUUORJIM-GOSISDBHSA-N 355.398 0.506 0 40 FCAB CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2ccccc2C)C1=O)C(=O)O 100855677 PFOXNKHGCBRNOT-YPMHNXCESA-N 350.396 0.949 0 40 FCAB C[S@@](=O)c1nncn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 103924005 VGWTWCIMIZLRNF-DEOSSOPVSA-N 351.407 0.503 0 40 FCAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1cc(OC)n(C)n1 547822107 UKTASAKCTUKXEZ-UHFFFAOYSA-N 355.372 0.865 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)O)C3CC3)CC2)cc1 568060024 OIIIMUACUHVJEX-OAHLLOKOSA-N 354.428 0.865 0 40 FCAB CN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575422184 NBQQFPGKCLGJNB-HUUCEWRRSA-N 355.437 0.618 0 40 FCAB O=C1COc2ccc(S(=O)(=O)NC(=O)c3ccn(C(F)F)n3)cc2N1 585270162 AGDSUNWKFLMXLQ-UHFFFAOYSA-N 372.309 0.728 0 40 FCAB CN(C)S(=O)(=O)N1CC(Nc2nc(-c3cccnc3)nc3c2CCC3)C1 624708879 PFISRPJMOKQUBC-UHFFFAOYSA-N 374.470 0.930 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(C(=O)Cn2cc(Br)cn2)C1 644036421 OCOFYVJCRBGKBV-ZDUSSCGKSA-N 359.224 0.135 0 40 FCAB Cc1cc(C(=O)N2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@@H]3C2)no1 1549160979 CJIFKYCASZVIOC-ZDUSSCGKSA-N 360.370 0.251 0 40 FCAB O=C1CO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1cccnc1 1565545951 PRYVIEZUAZQXQN-QGZVFWFLSA-N 363.389 0.935 0 40 FCAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)CCc3cncnc3)CC[C@@H]21 1565546609 AVPUSONDIHUHPA-ZWKOTPCHSA-N 361.490 0.663 0 40 FCAB NC(=O)CCc1ccc([C@@H]2CN(c3ncnc4[nH]cnc34)CCO2)nc1 2037844230 PUQUYHLOHSSVBV-ZDUSSCGKSA-N 353.386 0.744 0 40 FCAB Cn1cc(CN2CCC(C(=O)N=c3ccn(C)[nH]3)(n3ccnc3)CC2)cn1 2055713733 DUHVTVWRMKQFMR-UHFFFAOYSA-N 368.445 0.402 0 40 FCAB CCNC(=O)COn1c(SCC(=O)NCC)nc2ccccc2c1=O 2263913 RYKASTVFGGVCFB-UHFFFAOYSA-N 364.427 0.189 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(CC(N)=O)C(C)C)cc1 3348671 WXRZYBMJLDBAJY-HNNXBMFYSA-N 367.471 0.870 0 40 FCAB Cc1nc(SCC(=O)N2CCCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 4138740 VIFDCVBUAQDKDB-UHFFFAOYSA-N 363.443 0.440 0 40 FCAB O=C(NCc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 8298238 NIWMRDRVLDRPEA-JQHSSLGASA-N 355.442 0.797 0 40 FCAB biogenic,in-vitro Cc1cc(NC(=O)C(=O)NCCC(C)C)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9038758 OWTPXXMCXYTOCB-UHFFFAOYSA-N 360.418 0.982 0 40 FCAB CCCCNC(=O)C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 9039791 FNFLDDNYJAHOMR-UHFFFAOYSA-N 358.402 0.608 0 40 FCAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cccc(-n3cnnn3)c2)C1=O 9683383 NSAFLWKWMWVAEJ-MRXNPFEDSA-N 355.358 0.321 0 40 FCAB CCN(C(C)=O)c1nc(COC(=O)CC[C@@H]2NC(=O)NC2=O)cs1 23192214 VBDIKNPDPAHGKT-JTQLQIEISA-N 354.388 0.547 0 40 FCAB CC1(C)NC(=O)N(CCCSc2nnnn2C[C@H]2CCCO2)C1=O 40089691 AXEUDWOCOPMUQH-SNVBAGLBSA-N 354.436 0.665 0 40 FCAB NC(=O)C1CCN(c2ncc(S(=O)(=O)c3ccccc3)c(N)n2)CC1 71771820 SHIBBWVWJCEJCH-UHFFFAOYSA-N 361.427 0.593 0 40 FCAB CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)C4CC4)C[C@@H]32)C(=O)N1CCOC 96261672 DGRGLVQACBXORT-HACGYAERSA-N 369.487 0.856 0 40 FCAB Cc1cc(N2CCC[C@H](NS(=O)(=O)CC[C@@H]3CCCO3)C2=O)n(C)n1 97015029 FEFAXWWICQBILM-KBPBESRZSA-N 370.475 0.712 0 40 FCAB O=C(c1cnccn1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224320883 ZSAIZNYYKMHFPP-UHFFFAOYSA-N 355.402 0.066 0 40 FCAB COC(=O)c1ccc(C(=O)NCCn2c(=O)[nH]c3ncccc3c2=O)cc1 225794820 OXOIPPJHTXGAIJ-UHFFFAOYSA-N 368.349 0.301 0 40 FCAB Cc1ccccc1CCC(=O)N1C[C@H]2OC[C@@H](CNS(C)(=O)=O)[C@H]2C1 248152894 KLEDMKUTPXJHPU-BRWVUGGUSA-N 366.483 0.950 0 40 FCAB CCS(=O)(=O)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 253491491 MTPYOKLJXZWSMO-GFCCVEGCSA-N 360.457 0.299 0 40 FCAB NC(=O)NCCC[C@H](NC(=O)COc1ccc2c(c1)C(=O)CC2)C(=O)O 256027887 IDQUUZLKISKNCR-ZDUSSCGKSA-N 363.370 0.212 0 40 FCAB O=S(=O)(c1cccc(F)c1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257209007 BOOYDBNFDUSFBU-HOTGVXAUSA-N 358.435 0.672 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@@H](CNC(=O)c2cscn2)C1 575406313 NEQAHRAFLIFHEZ-NSHDSACASA-N 355.445 0.476 0 40 FCAB CN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc2ccccc2c1 575422176 NBQQFPGKCLGJNB-CABCVRRESA-N 355.437 0.618 0 40 FCAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H]1COc2c1ccc(C)c2C 660562627 GFKTXAIUNWLQDO-BFHYXJOUSA-N 354.428 0.848 0 40 FCAB NC(=O)CN1CCC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2O)C1 1116510278 QBAUVFFHBYQGIT-LBPRGKRZSA-N 361.377 0.397 0 40 FCAB Cc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)C(C)C)C[C@@H]4C3)nn12 1888853938 CLJNAFIPACRRBS-STQMWFEESA-N 350.448 0.539 0 40 FCAB CCn1cnc2c(N3CCN(c4ncnc5n[nH]cc45)CC3)ncnc21 1888926491 KFXARMNPCYWCAG-UHFFFAOYSA-N 350.390 0.839 0 40 FCAB COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2c1c(=O)n(C)c(=O)n2C 2227821 LAFVQHDPCXQYIG-VIFPVBQESA-N 358.354 0.157 0 40 FCAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1=NCCS1 2648947 JGZVEUUESJTXIK-ZDUSSCGKSA-N 353.469 0.982 0 40 FCAB Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H]3CCCO3)C2)cnn1C 2732587 SUFMKEXVRQCCBI-KBPBESRZSA-N 370.475 0.424 0 40 FCAB CCNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 4569338 JZIBJYISKNQXMJ-CYBMUJFWSA-N 353.444 0.400 0 40 FCAB CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 7110005 LVYAXCYYCITWRQ-UHFFFAOYSA-N 360.819 0.736 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8264674 SEEPLXJPVWWCFW-ZDUSSCGKSA-N 357.366 0.672 0 40 FCAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12 8791936 JQBOIGWHYPDAGZ-LBPRGKRZSA-N 357.414 0.785 0 40 FCAB biogenic NC(=O)NC(=O)CSc1nnc(N2CCOCC2)n1Cc1ccco1 14112932 KTKQGNIIHQMIJE-UHFFFAOYSA-N 366.403 0.043 0 40 FCAB CC(C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20768775 CEGYUTSDYGQKCP-UHFFFAOYSA-N 353.444 0.612 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2cccc(OC)c2)no1 21576768 NKOZSNKVHQUTIS-ZDUSSCGKSA-N 360.370 0.609 0 40 FCAB COCCNC(=O)CN(C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 21672779 NEFQEXMQOVMZOZ-LBPRGKRZSA-N 353.419 0.684 0 40 FCAB CCn1c(C)cc(O)c([C@@H](c2ccccn2)N2CCN(CCO)CC2)c1=O 22697415 AQJKMNZVQQBOJS-LJQANCHMSA-N 372.469 0.977 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(CC(N)=O)cc2)CC1 24487845 UQMIWDUVKTWNHL-UHFFFAOYSA-N 353.444 0.715 0 40 FCAB CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24755931 CMVSVAJKFVASNP-CQSZACIVSA-N 374.484 0.769 0 40 FCAB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32912522 AHTZJRZLXSMGQH-YPMHNXCESA-N 367.379 0.410 0 40 FCAB CN(C)[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccn1C 38674677 XLLTYFQAKNCSSS-HNNXBMFYSA-N 356.492 0.416 0 40 FCAB CC(C)CN1CCO[C@H](CNC(=O)NC[C@@H]2CN(CC(C)C)CCO2)C1 40050759 FQQIAQVBVSFZQJ-QZTJIDSGSA-N 370.538 0.999 0 40 FCAB CC[C@@H](C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F 44019728 WBAXSXXYPPILCT-ZWQNNFRKSA-N 359.354 0.616 0 40 FCAB in-vitro Cc1ccnn1-c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 48236204 XPIHZKUUZWNFKG-UHFFFAOYSA-N 353.382 0.995 0 40 FCAB O=C([C@@H]1CSCN1S(=O)(=O)c1cccnc1)N1CCSCC1 58201455 INYUHWPQVXTPGE-LBPRGKRZSA-N 359.498 0.721 0 40 FCAB O=C(c1cnccn1)N1CC(C(=O)N2CCN(c3ccccn3)CC2)C1 70808985 BGZVDKIUETVLJT-UHFFFAOYSA-N 352.398 0.292 0 40 FCAB C[C@@H](C(=O)N(C)CC(=O)N[C@@H](CC(N)=O)C1CCCCC1)n1cccn1 72310453 BMMAMIMJSQLYPS-ZFWWWQNUSA-N 363.462 0.843 0 40 FCAB CC(C)Oc1ccc2nnc(CCC(=O)N[C@H]3CCS(=O)(=O)C3)n2n1 72405199 XWYPTOVWKJORCW-NSHDSACASA-N 367.431 0.147 0 40 FCAB CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCCN(C)C)cc1 80350133 AFAKJWHESKDGLT-HZPDHXFCSA-N 374.528 0.340 0 40 FCAB CCS(=O)(=O)N1CC[C@@]2(CN(c3ccccc3)C(=O)CN2C(C)=O)C1 96050176 SZOWSXWLKUNCHO-KRWDZBQOSA-N 365.455 0.676 0 40 FCAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]12 101017027 CKMMLRGATFLGEK-AAEUAGOBSA-N 360.326 0.859 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 224315919 SIPMRZSBOJGGAP-UHFFFAOYSA-N 366.447 0.658 0 40 FCAB O=C(Cn1cc(Cl)cn1)NC[C@]1(O)CCCN(c2cnccn2)C1 257270105 MSTWEOVRUBDLHJ-OAHLLOKOSA-N 350.810 0.474 0 40 FCAB CO[C@H]1CCN(C(=O)CNS(C)(=O)=O)C[C@H]1Cc1ccc(F)cc1 585273384 UBRQJHPMUIADQM-HIFRSBDPSA-N 358.435 0.781 0 40 FCAB O=C1CCCN1CC(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839735 BWFGAVSHLMVJHJ-IBGZPJMESA-N 357.410 0.643 0 40 FCAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(C(=O)c3ccco3)CC2)[nH]1 2055713689 ZERKFMOSVNSODS-UHFFFAOYSA-N 368.397 0.902 0 40 FCAB CC(C)NC(=O)[C@H](C)N1CCN(Cc2nnc([C@@H]3CCOC3)o2)CC1 2086866237 UUZZNZMUOKJVPO-UONOGXRCSA-N 351.451 0.604 0 40 FCAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O 2662543 FNFQXHMKSUJOJW-MRXNPFEDSA-N 364.427 0.995 0 40 FCAB COC(=O)c1ccc2c(=O)n3c(nc2c1)S[C@H]1CS(=O)(=O)C[C@H]13 3906996 BDCRGOOXAQXNEW-MNOVXSKESA-N 352.393 0.627 0 40 FCAB CC(=O)Cn1c(=O)c2c(nc3n(Cc4ccco4)c(C)c(C)n23)n(C)c1=O 4314163 RQYCDYGYAAGQGF-UHFFFAOYSA-N 369.381 0.997 0 40 FCAB CCCn1c(N)c(C(=O)COC(=O)Cc2ccsc2)c(=O)n(C)c1=O 6423653 XUTGUPQSRQHAIQ-UHFFFAOYSA-N 365.411 0.569 0 40 FCAB CC(C)(C)n1nnnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 10218720 BKTXIGPYZWOAMY-UHFFFAOYSA-N 365.419 0.170 0 40 FCAB COCCNC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029266 OCHNRYWNUHASCF-CYBMUJFWSA-N 361.441 0.024 0 40 FCAB O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(Cn2cncn2)cc1 13730109 WVJRHEBKFXVRPL-UHFFFAOYSA-N 372.429 0.103 0 40 FCAB O=C(CNS(=O)(=O)c1cccc2cccnc12)NCCc1cnccn1 19347335 ZKJBNFAVWMANSZ-UHFFFAOYSA-N 371.422 0.662 0 40 FCAB CCN(CC)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20769060 VPCHFHCSSDOYMJ-UHFFFAOYSA-N 367.471 0.956 0 40 FCAB COC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 22251436 BRMLNNJAPITILS-JTQLQIEISA-N 360.432 0.864 0 40 FCAB COc1ccc(OC)c(NC(=O)C(=O)NCCCN2CCOCC2)c1 23960888 PZIMFUKTYGRZRV-UHFFFAOYSA-N 351.403 0.481 0 40 FCAB Cc1ccc(N2N=C(C(=O)NCc3nnc4ccccn34)NCC2=O)cc1 24651035 OXEFYGOJDZDLKU-UHFFFAOYSA-N 363.381 0.604 0 40 FCAB O=S(=O)(NC[C@@H]1CCN(CCN2CCOCC2)C1)c1ccccc1F 40105692 BZUXDVWLEIXAQF-HNNXBMFYSA-N 371.478 0.758 0 40 FCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccnc2-n2cccn2)C1 48194156 JEMRWLMNGLFFKG-LBPRGKRZSA-N 364.431 0.813 0 40 FCAB C[C@H]1CN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CCO1 48290116 IRAWZGPXSWFHRR-SJCJKPOMSA-N 357.410 0.709 0 40 FCAB O=C(CCNS(=O)(=O)c1ccccc1)NCC(=O)NCC(F)(F)F 57007860 XZHKSTFZJMOUQZ-UHFFFAOYSA-N 367.349 0.150 0 40 FCAB CN(C)CCNC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CCNCC1 72394744 WLXGVWUIQNIXLN-AWEZNQCLSA-N 350.463 0.769 0 40 FCAB Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC3=O)nc2n(C)c1=O 95451317 PFWWQRDBACYBRT-SMDDNHRTSA-N 370.409 0.606 0 40 FCAB CC(=O)[C@]1(O)C=C[C@H]2[C@H]3CC4=CC[C@](O)(C(C)=O)C5=C4[C@@]2(CCN3C)[C@H]1O5 95932121 SFFRCZUXEZQRMF-WUBFEPDMSA-N 371.433 0.890 0 40 FCAB C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1cccc(C(N)=O)n1 96001619 NDWABFPQZONMQO-VXGBXAGGSA-N 353.444 0.885 0 40 FCAB COC[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)N1S(C)(=O)=O 96209532 LMLBVMCLUPUIGE-OAHLLOKOSA-N 356.492 0.825 0 40 FCAB CN(CC(=O)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)S(C)(=O)=O 252522828 BGFLKOCWMPJMLY-HAQNSBGRSA-N 360.411 0.313 0 40 FCAB CCS(=O)(=O)CCN1CC2(C[C@@H](Oc3nccc(C)n3)CCO2)C1 253479198 PGGOWERAUDVHJM-AWEZNQCLSA-N 355.460 0.832 0 40 FCAB COc1ccc(OCC(=O)N2CC[C@@](O)(CN3CCOCC3)C2)cc1 257214953 COBXAKVZKHGJEE-GOSISDBHSA-N 350.415 0.370 0 40 FCAB CN(CC1(O)CCN(c2cccc3nccn23)CC1)C(=O)CCC(=O)O 257317328 VJIHRLRKICMUKW-UHFFFAOYSA-N 360.414 0.989 0 40 FCAB COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCOCC1 257338294 YWTQHSILMWHMRV-LMSBXDPUSA-N 350.415 0.031 0 40 FCAB O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C1CCCC1)C2 514288555 CKORPBJHPUKDEK-ZWKOTPCHSA-N 356.470 0.970 0 40 FCAB biogenic,in-vitro CC1(C)[C@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@@H]2CCCO[C@H]21 608033337 ZNVCBLPARCRPJV-BFHYXJOUSA-N 374.484 0.816 0 40 FCAB Cc1nnc2n1C[C@@H](C(=O)NCCOc1ncccc1Cl)N(C)C2 644387410 FEZGMOSJWHMOIV-LBPRGKRZSA-N 350.810 0.644 0 40 FCAB C=CC(=O)N(CC)CC(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 1292838092 ODIMJWMQVRXAPZ-GFCCVEGCSA-N 353.444 0.888 0 40 FCAB O=C(c1ccncc1F)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888901343 WAOSCTCBPSJJSM-TXEJJXNPSA-N 353.361 0.867 0 40 FCAB CCS(=O)(=O)N1CC[C@@](Nc2cccc(F)c2)(C(=O)NCCOC)C1 2055747098 HRMADEMZJFNSQT-INIZCTEOSA-N 373.450 0.794 0 40 FCAB COc1cc(C(=O)N[C@@H]2CCOC[C@]23CC(C(=O)NC(C)C)=NO3)on1 2055793400 XNZQUTUZQTUPLT-MLGOLLRUSA-N 366.374 0.242 0 40 FCAB COc1ccc2c(c1)nnc1nnc(SCC(=O)N3CCOCC3)n12 1038989 IFDOHOWKKPJRPM-UHFFFAOYSA-N 360.399 0.632 0 40 FCAB COc1ccc(C(=O)Nc2ccn([C@@H]3C[C@H](O)[C@H](CO)O3)c(=O)n2)cc1 4533918 ZASFNFUJGOZQBW-YDHLFZDLSA-N 361.354 0.145 0 40 FCAB biogenic COC(=O)C1CCN(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)CC1 5183037 VZRQYCQJHLZVHF-UHFFFAOYSA-N 373.365 0.492 0 40 FCAB Cn1cc(S(=O)(=O)NCCCCc2ccccc2)c(=O)n(C)c1=O 8942267 MSWQOZPSCSHHRO-UHFFFAOYSA-N 351.428 0.385 0 40 FCAB CC(=O)NCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 10027966 ZPFWUZOEBIVXLI-UHFFFAOYSA-N 353.444 0.645 0 40 FCAB O=C(NCCNS(=O)(=O)c1cccc2nonc12)c1cccs1 12389521 AGGPFRHGKCOAMI-UHFFFAOYSA-N 352.397 0.993 0 40 FCAB CC(C)CNC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 22023975 JQLMQWRSZKHXDW-UHFFFAOYSA-N 370.475 0.297 0 40 FCAB CC(C)CCNC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1 32092738 FSPYABPDFUXXDH-OAHLLOKOSA-N 367.471 0.728 0 40 FCAB CN1CCN(CCCNC(=O)C(=O)Nc2cc(Cl)ccc2O)CC1 44893169 PCMUWTACNRWQRT-UHFFFAOYSA-N 354.838 0.738 0 40 FCAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)NC[C@H]1CCCO1 47594057 JWHRBJACLJHKFI-CQSZACIVSA-N 353.444 0.857 0 40 FCAB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H](CO)C3)nc2)CC1 57366976 NYMRSDOUQCNLGM-AWEZNQCLSA-N 354.476 0.226 0 40 FCAB Cc1ccc(C(=O)NCCNC(=O)Cn2c(C)cc(O)cc2=O)cc1F 75108446 ODQALJFJHQOBRT-UHFFFAOYSA-N 361.373 0.856 0 40 FCAB CN(C)C(=O)CNC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 96905393 FCLNUVYVYLNBHK-UHFFFAOYSA-N 373.379 0.427 0 40 FCAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)cn1 97012936 OKOYHSXTBQGCAL-AWEZNQCLSA-N 363.399 0.352 0 40 FCAB O=C(NCCN1CCN(c2ncccn2)CC1)N1CCN2CCCC[C@H]2C1 105162885 RTKGEILPFZPYME-KRWDZBQOSA-N 373.505 0.478 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cc(-c3cc[nH]n3)ncn2)CC1 257263897 LRXCZJLOQXHENQ-UHFFFAOYSA-N 350.448 0.928 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](c2nccnc2-c2ccnn2C)C1 257294159 QSUVAWKNELWFHR-LBPRGKRZSA-N 350.448 0.863 0 40 FCAB CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)n1 267772752 WMJMUSIMVPFFLW-UHFFFAOYSA-N 365.415 0.538 0 40 FCAB Cc1cc(N2Cc3ccnn3C[C@H](CNC(=O)C3CC3)C2)n2ncnc2n1 306128251 GVIZMUCLJWBBBQ-CYBMUJFWSA-N 366.429 0.792 0 40 FCAB O=C(CC1CC1)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 306137407 QVNBICIJWGMYTD-ZDUSSCGKSA-N 351.428 0.671 0 40 FCAB CCCOCc1ccccc1CNC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 569942805 XTEAMUYMDFFGNJ-ZWKOTPCHSA-N 374.485 0.473 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 585108778 COCRKHILMIEZLQ-ZOBUZTSGSA-N 368.455 0.791 0 40 FCAB COCCNC(=O)[C@H]1CCC2(CCN(C(=O)Cc3ccn(C)n3)CC2)O1 585113462 KSXRNHJQYDXTSZ-OAHLLOKOSA-N 364.446 0.265 0 40 FCAB Cc1cnc(-c2cnc(C[C@@H]3CCN(S(=O)(=O)N(C)C)C3)cn2)[nH]1 585178878 XQPLGCPGFYGTKU-LBPRGKRZSA-N 350.448 0.846 0 40 FCAB CN(C(=O)/C=C/c1ccnn1C)[C@H]1CCC[C@H](n2ccc(O)nc2=O)[C@H]1O 585289955 OQKJJPSOFOIFLI-PMNVYRAFSA-N 373.413 0.309 0 40 FCAB O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@H](c1cccc(F)c1)N1CCOCC1 607906247 OVWMTUZOKJBOPZ-CVEARBPZSA-N 370.446 0.892 0 40 FCAB Cc1cnc(OC[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc1 1776000685 FVKNYGAQZYKEPH-ZDUSSCGKSA-N 351.432 0.998 0 40 FCAB O=C(Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@H](CO)O1)c1ccccc1 644891 PIXHJAPVPCVZSV-RWMBFGLXSA-N 355.354 0.719 0 40 FCAB CCCC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 2624531 FZYYAGGQJJMIPX-UHFFFAOYSA-N 370.427 0.989 0 40 FCAB COCCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 5450880 RUXMEJCDXYCWLJ-UHFFFAOYSA-N 353.382 1.000 0 40 FCAB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(N)=O 8110809 XMNAJJCUZISGKD-UHFFFAOYSA-N 369.786 0.127 0 40 FCAB O=C(NCc1ccco1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 8298557 KPUMDYCVWZVXFO-LXZKKBNFSA-N 359.430 0.433 0 40 FCAB biogenic,in-vitro CC(=O)NCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 8735349 XCDGQZGBGLTWSX-UHFFFAOYSA-N 373.500 0.718 0 40 FCAB Cn1nc2c(CN[C@@H]3CCS(=O)(=O)C3)cc(-c3ccccc3)cn2c1=O 12233822 YCQOHCHYOFMPCZ-MRXNPFEDSA-N 372.450 0.977 0 40 FCAB COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1 13511602 YUNMPASCLGGSKE-UHFFFAOYSA-N 373.413 0.549 0 40 FCAB CN1CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)c1ccccc1O2 19588385 VLHYXIVGJNEMKJ-UHFFFAOYSA-N 373.453 0.844 0 40 FCAB Cc1cn2nc(NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)sc2n1 29625504 BWELISXHIRSIIV-GHMZBOCLSA-N 359.477 0.950 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCCC(=O)Nc2ccccn2)CC1 40105351 IWFDRECIRQJDNC-UHFFFAOYSA-N 354.432 0.198 0 40 FCAB CN(C)C(=O)c1ccc(Cl)cc1NCC(=O)N[C@H]1CCS(=O)(=O)C1 40135361 RMVVGMBORMSDFN-NSHDSACASA-N 373.862 0.757 0 40 FCAB CC(=O)Nc1ccc(NC(=O)Cn2nc(N3CCOCC3)ccc2=O)cc1 49550145 NZMDWCGLPDLCKL-UHFFFAOYSA-N 371.397 0.677 0 40 FCAB Cn1cc(CCC(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)cn1 56990434 BRELCIGGJHRZJN-SNVBAGLBSA-N 350.366 0.933 0 40 FCAB COc1ccc2cnn(CC(=O)N[C@H](C(=O)O)C(C)C)c(=O)c2c1OC 71333712 LHMRLTPDKHCOKI-AWEZNQCLSA-N 363.370 0.639 0 40 FCAB Cc1nccn1-c1cncc([C@@H]2CCCN2CC(=O)N2CCOCC2)n1 72378726 VRQZUVLMUXKCAY-INIZCTEOSA-N 356.430 0.966 0 40 FCAB CCCn1cnc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 89960726 XLUFVOHZNAAADW-ZDUSSCGKSA-N 356.448 0.305 0 40 FCAB O=C([C@@H]1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1)N1CCOCC1 96263208 OQUBDOMQYKZMSR-INIZCTEOSA-N 360.458 0.842 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 257213239 CGSQXDSPWKUVOQ-LBPRGKRZSA-N 350.448 0.928 0 40 FCAB COCCN1C(=O)CCC[C@H]2CN(CC(=O)N3CCOCC3)CC[C@H]21 257223287 DWQZZVHSIGJVKZ-JKSUJKDBSA-N 353.463 0.195 0 40 FCAB CC(C)CN1CCO[C@@H](CNC(=O)Cn2ccc(=O)c3cnn(C)c32)C1 333395243 DEKVRPOOCMCAJM-AWEZNQCLSA-N 361.446 0.208 0 40 FCAB O=C(CC1(Cn2cnnn2)CCCCC1)NC[C@@H]1CCS(=O)(=O)C1 524735058 ROLUABNCNXZHPD-ZDUSSCGKSA-N 355.464 0.565 0 40 FCAB O=[S@]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cnn(-c2ccccc2F)c1 593662230 VMOIZVZLIYUHHE-GANBNBROSA-N 355.416 0.905 0 40 FCAB O=C1CN(C(=O)c2coc(CN3CC[C@H](O)C3)n2)Cc2ccccc2N1 685943905 KOCRQYPVPUOWQA-ZDUSSCGKSA-N 356.382 0.836 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@H]2OCC[C@@]2(C(=O)Nc2cccnc2)C1 1614931559 XYPCVEZKCLJXDA-NTODXPRQSA-N 357.410 0.920 0 40 FCAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)c2ccccn2)CC1 2055772123 ZJTPOHSGJNDONI-UHFFFAOYSA-N 356.430 0.990 0 40 FCAB O=S(=O)(c1cnccc1N1CCN(CCO)CC1)N1CCCCC1 4473024 ADTGMKALEWQTBT-UHFFFAOYSA-N 354.476 0.371 0 40 FCAB O=C(Cn1cnc2c(cnn2CCO)c1=O)N1CCCc2ccccc21 4940483 HYTQZPJGPNBAJJ-UHFFFAOYSA-N 353.382 0.565 0 40 FCAB Cn1c(=O)c2c(SCC(=O)NC[C@H]3CCCO3)ccnc2n(C)c1=O 4942199 HHVOKJIGNCPVRD-SNVBAGLBSA-N 364.427 0.020 0 40 FCAB C[C@]1(NC(=O)COc2ccc3ccc(=O)oc3c2)CCS(=O)(=O)C1 5221403 OKIAIOZMRSDBJL-INIZCTEOSA-N 351.380 0.865 0 40 FCAB biogenic COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)cc1 6395362 NFXVFNMEGYYQGR-CYBMUJFWSA-N 357.366 0.794 0 40 FCAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)NC2CCCCC2)n(C)c1=O 6637312 FZPAUZMSFPYJCI-UHFFFAOYSA-N 353.810 0.536 0 40 FCAB O=C([C@H]1CN(CC(=O)N2CCNC2=O)c2ccccc2O1)N1CCCCC1 8727194 VPKQPLPXAKWMQT-MRXNPFEDSA-N 372.425 0.818 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccncc2)CC1 10662450 HNFCVPZVIDOGOZ-UHFFFAOYSA-N 350.400 0.833 0 40 FCAB O=CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 19867534 FQAKHIRIINHFQD-UHFFFAOYSA-N 371.484 0.449 0 40 FCAB COc1ccc(OC)c(NC(=O)C[C@@H]2SC(NC(=N)N)=NC2=O)c1 20102074 NFJTVOWSSSWKRW-JTQLQIEISA-N 351.388 0.513 0 40 FCAB CCN(CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)[C@@H]1CCS(=O)(=O)C1 23623023 UBVLDGGHUHYGFA-ZENOOKHLSA-N 357.476 0.954 0 40 FCAB O=S(=O)(CCn1cnc2ccccc21)NCCS(=O)(=O)NC1CC1 26842627 PXXXWWZWCLPBBU-UHFFFAOYSA-N 372.472 0.038 0 40 FCAB COc1ccccc1-c1nc(CC(=O)NCC(=O)NCC(=O)O)cs1 32094948 RLZXSFJSRYFZBV-UHFFFAOYSA-N 363.395 0.678 0 40 FCAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccc3nnnn3n2)CC1 40025154 ZPZLCXPBISIFDS-AWEZNQCLSA-N 367.369 0.008 0 40 FCAB CC(=O)N1CCN(c2ccc(N3C[C@@H](C(N)=O)CC3=O)cc2Cl)CC1 57332443 ZKLNLFRRJNPGPZ-LBPRGKRZSA-N 364.833 0.847 0 40 FCAB O=S1(=O)CC[C@@H](N2CCN(C[C@@H](O)COc3ccccc3)CC2)C1 84556791 LZSCSVANTANSIZ-HZPDHXFCSA-N 354.472 0.231 0 40 FCAB CCOC(=O)[C@@H]1CC[C@@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 95966979 MUMFLLBPHGHXDS-VXGBXAGGSA-N 353.419 0.945 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C(=O)O 95969634 RRWONQIPIBQMEK-JQWIXIFHSA-N 372.447 0.169 0 40 FCAB COc1ccc(CN2CCO[C@]3(COCCN(S(C)(=O)=O)C3)C2)cc1 96049876 MPPMUCAVNSQSDJ-QGZVFWFLSA-N 370.471 0.558 0 40 FCAB COc1cc(N2C[C@@H]3COC[C@]3(C(=O)NC3CC(F)(F)C3)C2)ncn1 96110144 IPPQJTLCAUJOKB-MEBBXXQBSA-N 354.357 0.852 0 40 FCAB COCCc1nc(Cn2ccc(=O)[nH]c2=O)n(-c2cccc3c2CCC3)n1 96166646 YKWAVMFARQAENP-UHFFFAOYSA-N 367.409 0.843 0 40 FCAB O=C(CN1C(=O)CCC1=O)NCC1CCN(C2CCSCC2)CC1 238879769 OYRGAMZWHDXFJA-UHFFFAOYSA-N 353.488 0.859 0 40 FCAB CCOc1ccc(OC[C@H](O)CN2CCNC(=O)[C@H]2CC(=O)OC)cc1 245284707 UEEZDBNVQXGXJK-CZUORRHYSA-N 366.414 0.189 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 247899794 VTKFJXWTHNXJPM-HRLGVUPISA-N 355.394 0.560 0 40 FCAB Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNS(C)(=O)=O)C2)cn1 248107473 PPLWURMHXCYYIL-CYBMUJFWSA-N 363.443 0.408 0 40 FCAB O=C(CCn1cnc2ccccc21)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257260602 LDNLIZIWEQFCQB-SZVBFZGTSA-N 358.442 0.767 0 40 FCAB Cc1ccnn1CCC(=O)N(C)C[C@@]1(O)CCCN(c2cnccn2)C1 257279756 OIAZTDYDNUOPNC-SFHVURJKSA-N 358.446 0.862 0 40 FCAB Cn1cccc1C(=O)N1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1 306133960 NAGGNTROCDAPPG-UONOGXRCSA-N 369.425 0.413 0 40 FCAB Cc1cnc(N2CCOC[C@]3(CC[C@@H](Cn4ncccc4=O)O3)C2)nc1 306143317 XYOHIBGGGVPREU-YJBOKZPZSA-N 357.414 0.796 0 40 FCAB Cc1cn([C@@H]2CN(C(=O)/C=C/c3cnn(C)c3)CC[C@@]2(C)O)c(=O)nc1O 585289497 IUMZFRIIOVTDNM-FHWYHTKLSA-N 373.413 0.229 0 40 FCAB COc1ccc(C)cc1CCNC(=O)C[C@@H]1CS(=O)(=O)CCN1C 644258292 KFVJPWTXYDJTAZ-OAHLLOKOSA-N 354.472 0.781 0 40 FCAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)[C@@H]1CCCc2nn[nH]c21 1118947114 OBOVQDJXSORHAB-WDEREUQCSA-N 353.390 0.057 0 40 FCAB Cc1nc(S(=O)(=O)N2CC3(CCN(C)CC3)[C@H]3COC[C@H]32)cn1C 1615589153 IYXZPEURWMZTJB-UONOGXRCSA-N 354.476 0.460 0 40 FCAB COc1cc(=O)n(C)cc1C(=O)N1C[C@@H]2CN(c3nccc(C)n3)C[C@@H]2C1 1888844582 KQZYHTONJNTKFY-OKILXGFUSA-N 369.425 0.701 0 40 FCAB COc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 1453822 NQRWVIICYQSMEM-UHFFFAOYSA-N 373.369 0.090 0 40 FCAB biogenic O=C(Cn1cnnn1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 3333509 YOMXOVSMAMUJDF-UHFFFAOYSA-N 364.431 0.877 0 40 FCAB C[C@@H](Sc1nc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)O 4960386 GVQZJYHVXXVDTE-SSDOTTSWSA-N 362.367 0.852 0 40 FCAB Cc1ccc(C)c(OC[C@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 12629507 RNKBGUWUPXZURK-CYBMUJFWSA-N 358.398 0.490 0 40 FCAB Cn1nnn(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1=S 12990048 IJUVQTJYLAVEFZ-UHFFFAOYSA-N 368.488 0.451 0 40 FCAB Cc1ccc2oc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cc(=O)c2c1 14134782 OEZNTXDFOQKPQV-UHFFFAOYSA-N 355.350 0.916 0 40 FCAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1c(C(N)=O)oc2ccccc12 16847855 KNQRXZDZDCIHKT-JTQLQIEISA-N 351.384 0.894 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccccc1 20567942 WVXKZFWPPCJMDR-UHFFFAOYSA-N 355.460 0.291 0 40 FCAB CN1CCN(CCCNC(=O)c2ccccc2N(C)S(C)(=O)=O)CC1 22829730 FQPZEWKDJQIDQL-UHFFFAOYSA-N 368.503 0.450 0 40 FCAB CCOC(=O)C1=C(CSc2nnc(C(C)(C)C)n2N)NC(=O)NC1 24039713 ZVJVNWDFXCGDIM-UHFFFAOYSA-N 354.436 0.512 0 40 FCAB CCCCn1c(=O)n(CC(C)(C)O)c(=O)c2c1nc(CO)n2CCC 40158423 RDZUSMOBIQJMFP-UHFFFAOYSA-N 352.435 0.833 0 40 FCAB O=C(Nc1ccc(-n2cncn2)nc1)N1CCN(c2cnccn2)CC1 48133141 LKCIENFGKLJECH-UHFFFAOYSA-N 351.374 0.806 0 40 FCAB Cn1nnnc1SCC(=O)NCCOc1ccc(-c2ccccn2)nn1 56908230 WWZXOULJRUFJMN-UHFFFAOYSA-N 372.414 0.349 0 40 FCAB CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)Cc2ccccc2Cl)CC1 58180562 MGTYRJIFLIQOGJ-LBPRGKRZSA-N 366.849 0.871 0 40 FCAB CCN(C(=O)CSCC(=O)Nc1cc(C)on1)[C@H]1CC(O)=NC1=O 58197275 DCGYEARVQDSCBV-VIFPVBQESA-N 354.388 0.759 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H](C)CN2CCCC2=O)s1 58210777 QJRJBYZZVWOQHJ-LLVKDONJSA-N 373.500 0.921 0 40 FCAB CNC(=O)N1CCN(Cc2nnc3n(C)c(=O)c4sccc4n23)CC1 72311945 CGUNYXRBLOPPLI-UHFFFAOYSA-N 361.431 0.100 0 40 FCAB COC(=O)[C@H]1CS(=O)(=O)CCN1CCCOc1ccc(OC)cc1 95941548 BTBWWJXYHBCTHH-OAHLLOKOSA-N 357.428 0.736 0 40 FCAB CN1CCN(C[C@H]2OC[C@@H]3CCN(C(=O)C4CCOCC4)C[C@H]23)CC1 96056271 PWLUXCMVUGAJPU-OKZBNKHCSA-N 351.491 0.524 0 40 FCAB Cc1cnc(N2CCOC[C@@]3(CC[C@H](Cn4ncccc4=O)O3)C2)nc1 96160708 XYOHIBGGGVPREU-CRAIPNDOSA-N 357.414 0.796 0 40 FCAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H](C4=Cc5sc(=O)[nH]c5S[C@H]43)[C@H]2C1=O 101025391 DZZSDUMZGMILBC-HKNSUOFLSA-N 364.404 0.630 0 40 FCAB O=C(O)[C@]12[C@H]3[C@H]4[C@H]([C@@H]5[C@H]1[C@H]3[C@]5(Br)C41OCCO1)C21OCCO1 102937626 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306140477 UUOCRAXDNVITMP-GZBFAFLISA-N 371.445 0.157 0 40 FCAB Cn1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccnn2C)cn1 306143430 YCDHLHBNUVJOMY-HNNXBMFYSA-N 358.446 0.565 0 40 FCAB CC(=O)N1CCC2(CC1)CCn1c2nn(Cc2ccccn2)c(=O)c1=O 306144666 ZLPBJNUUOXIQRV-UHFFFAOYSA-N 355.398 0.132 0 40 FCAB O=C1C[C@H](C(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)CN1 373624193 HXUSOZSKGQKIKZ-GXFFZTMASA-N 371.315 0.721 0 40 FCAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 408605203 MYXVZMYKOUYZNG-CQSZACIVSA-N 369.487 0.915 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](CS(=O)(=O)NCc2ccccn2)C1 521397035 NRKCKXWHJDAREF-SNPRPXQTSA-N 353.444 0.384 0 40 FCAB CN(C)[C@H](CNC(=O)NCCN1CCNC(=O)C1)c1ccc(Cl)cc1 543762982 PPRKYRFGZOMIRR-OAHLLOKOSA-N 367.881 0.674 0 40 FCAB CCOCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 585095487 ZORAWJFATXNEGF-MRXNPFEDSA-N 364.446 0.736 0 40 FCAB COc1cc(C(=O)N2CC[C@H]3C[C@H](C(=O)N4CCCO4)O[C@@H]3C2)on1 585108930 FRBDJHXGHZGTEU-DMDPSCGWSA-N 351.359 0.467 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)Cc3ccc(C)cc3)C[C@@H]21 585110069 DKVBCVPHKUTKSF-JKSUJKDBSA-N 368.437 0.922 0 40 FCAB CN(C)S(=O)(=O)N1CCC2(CC1)CN(Cc1ccccn1)C(=O)CO2 2055830442 QWXTVQQAECKUOA-UHFFFAOYSA-N 368.459 0.081 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1ccc(OC(F)F)cc1 4619565 SNVIDMMNWXTAQW-UHFFFAOYSA-N 365.296 0.663 0 40 FCAB C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 5412801 YEXVXKIMPBHRQR-YEZHLNRUSA-N 353.415 0.244 0 40 FCAB COc1cccc([C@@H]2C[C@H](C(=O)NC(C)(C)CO)N(C)S(=O)(=O)N2)c1 12159560 HXGCGOIATUVBKW-UONOGXRCSA-N 371.459 0.162 0 40 FCAB Cc1ccc(C)c(OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 13281225 RULVSEWVQUIGOT-UHFFFAOYSA-N 356.382 0.965 0 40 FCAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)N2CCOCC2)C1)N1CCOCC1 19075335 GQWQNUBHGHAWOG-HZPDHXFCSA-N 368.478 0.876 0 40 FCAB Cc1cc(C(=O)NCCN(C)C2CCCC2)c2c(=O)[nH]c(=O)n(C)c2n1 19716368 AFPFTQGBHMNNCE-UHFFFAOYSA-N 359.430 0.534 0 40 FCAB CC[C@H]1C(=O)NCCN1C(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 19719121 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CC1(C)S[C@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O 3604147 LSQZJLSUYDQPKJ-MIJXAVMKSA-N 365.411 0.024 0 40 FCAB in-vitro CCn1c(=O)n(CC(=O)NCCN)c(=O)c2c3c(sc21)CCCC3 6764240 MWRPLQOQQBSJIV-UHFFFAOYSA-N 350.444 0.198 0 40 FCAB CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 8782713 NDHVZKFWNRWXDB-UHFFFAOYSA-N 355.416 0.446 0 40 FCAB COc1ccccc1NC(=O)COC(=O)c1cc(S(N)(=O)=O)cn1C 8940289 USXWJMJQJNCYEX-UHFFFAOYSA-N 367.383 0.477 0 40 FCAB CN(C(=O)c1ccc(CSc2nncn2C)o1)[C@@H]1CCS(=O)(=O)C1 9951555 PMQLDEIVUUMOMT-SNVBAGLBSA-N 370.456 0.960 0 40 FCAB Cc1cc(C)c(CNC(=O)c2ccccc2CN2C(=O)CNC2=O)c(=O)[nH]1 12826078 PFUDITPVHLKHKO-UHFFFAOYSA-N 368.393 0.974 0 40 FCAB COc1cccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)c1OC 13131294 INUNCLLTHSDNCX-HNNXBMFYSA-N 373.413 0.865 0 40 FCAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCNC3=O)cc2C1=O 14093229 QLOIWGJKXUBQDJ-UHFFFAOYSA-N 373.365 0.791 0 40 FCAB Nc1nc(N)nc(COC(=O)C2CCN(C(=O)c3cccs3)CC2)n1 17978454 USFPUHTXMVDPOJ-UHFFFAOYSA-N 362.415 0.693 0 40 FCAB O=C(Cn1cnnn1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 27977793 VIVQHBXYOWXNMX-UHFFFAOYSA-N 365.400 0.569 0 40 FCAB CC(=O)N1CCN(C(=O)CCc2c(C)nc3c(C(N)=O)ncn3c2C)CC1 32901447 ZTJUHQWQAUIDCS-UHFFFAOYSA-N 372.429 0.068 0 40 FCAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(N2CCCS2(=O)=O)cc1 32907835 DDUGXEKCXVQZHW-NSHDSACASA-N 354.432 0.873 0 40 FCAB COCCNC(=O)c1nn(-c2ccccn2)c2c1CS(=O)(=O)CC2 41070352 VEWNJNIEHZPZLC-UHFFFAOYSA-N 350.400 0.114 0 40 FCAB C[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 41378930 FESKSQPVJBQUHF-NSHDSACASA-N 354.428 0.838 0 40 FCAB Cn1cc(S(=O)(=O)N2CCCc3cc(C(=O)O)ccc32)cc1C(N)=O 69510478 BDCXAWWLHZOALI-UHFFFAOYSA-N 363.395 0.964 0 40 FCAB CC1(C)C[C@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCO1 72404655 XUOSMSMHOSDRSP-VXGBXAGGSA-N 371.459 0.226 0 40 FCAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CN(C)C(=O)OCC)CC2 76023048 MICXZZWKZKSAGC-UHFFFAOYSA-N 369.443 0.962 0 40 FCAB CN1CCN(C[C@@H](CC(=O)Nc2ccc3nsnc3c2)C(=O)O)CC1 79483631 JAJLHHZKQHNFCG-LLVKDONJSA-N 363.443 0.968 0 40 FCAB CN1CCN(CCCN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccn2)CC1 80184491 OMHMTVHWYDCLAZ-SFHVURJKSA-N 373.501 0.782 0 40 FCAB Cn1cnc(S(=O)(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c1 95432603 IUWRORRZPSNCMH-VIFPVBQESA-N 366.407 0.654 0 40 FCAB CCN1C(=O)[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)c2cc(C)ccc21 95469340 BVLMXLRVMJYVEN-INIZCTEOSA-N 370.413 0.512 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2C1 96208808 GABJCQKMSJNNAX-CZUORRHYSA-N 354.428 0.508 0 40 FCAB O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc2c(c1)OCO2 96301183 GVVHFOZFMBCVME-CYBMUJFWSA-N 360.366 0.886 0 40 FCAB CC1=NN(c2ccc(C)cc2C)C(=O)[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 101901882 ATNBLVMFUGCYEI-ZFWWWQNUSA-N 363.439 0.945 0 40 FCAB Cc1ncsc1CN1CC[C@@](O)(CNC(=O)c2cnco2)[C@H](O)C1 257251656 JRPJMRMLIMQUNF-UKRRQHHQSA-N 352.416 0.167 0 40 FCAB CCn1cc(-c2ccnc3cc(C(=O)N4CCNC(=O)C4)nn23)c(C)n1 257277404 NXVHNWXFELBSEB-UHFFFAOYSA-N 353.386 0.493 0 40 FCAB Cc1cc(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)n(C)n1 585111743 AFBBENLIYZNOAT-CQSZACIVSA-N 352.464 0.421 0 40 FCAB O=C(Cn1ncn2nccc2c1=O)N[C@@H]1CCCN(CC(F)(F)F)C1 1117533479 BVHFMKYCWNIIHP-SNVBAGLBSA-N 358.324 0.034 0 40 FCAB Cn1cccc(C(=O)N2C[C@@H]3OCCN(Cc4cccnc4)[C@@H]3C2)c1=O 1565544314 HYVYRQPZHPAWJC-SJORKVTESA-N 354.410 0.506 0 40 FCAB Cc1nc(N2C[C@H]3CN(c4ncnc5n[nH]cc45)C[C@@H]3C2)nc(O)c1F 1888919410 BOKMFPUQFXUNFX-NXEZZACHSA-N 356.365 0.869 0 40 FCAB O=C(CN1CCN(c2ccc(N3CCOCC3)nn2)CC1)N1CCCCC1 1889116960 BRQGSJRQFZKSPZ-UHFFFAOYSA-N 374.489 0.448 0 40 FCAB CCc1cccc(OC[C@@H](O)Cn2c(N)nc3c2c(=O)[nH]c(=O)n3C)c1 4945664 PNBWFHWSQVUJTN-NSHDSACASA-N 359.386 0.008 0 40 FCAB CCOCCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 5002453 LJWPGLZYRKDAMO-UHFFFAOYSA-N 358.416 0.724 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 6640339 SXWLSOJOHZKEMY-HIFRSBDPSA-N 366.439 0.719 0 40 FCAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCc2ccco2)n1 9037769 HPDAAGWYXVGFQL-UHFFFAOYSA-N 370.369 0.674 0 40 FCAB CC[C@H]1C(=O)NCCN1C(=O)c1ccc(OCCN2CCOCC2)cc1 19718565 ZZIXJMBXDSLBLX-KRWDZBQOSA-N 361.442 0.748 0 40 FCAB CC(C)c1cc(O)cc(C(C)C)c1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O 22061029 OCSNDZGMSQTRGL-KBXBGSNASA-N 370.398 0.910 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2=NCCS2)c1 23027945 ZFUPRFUKQLNZOS-UHFFFAOYSA-N 372.472 0.098 0 40 FCAB C[C@@H](C(=O)NC(N)=O)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 27297394 HKZGIHIDQVNZRK-VIFPVBQESA-N 360.336 0.994 0 40 FCAB Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nn1cn[nH]c1=S 29260167 VHMRNTRPMGFVMC-UHFFFAOYSA-N 370.460 0.838 0 40 FCAB Cc1nc(C)c(CC(=O)NCc2ccccc2Cn2cncn2)c(=O)[nH]1 31370667 FRYPQNMWBBWYPA-UHFFFAOYSA-N 352.398 0.885 0 40 FCAB COc1c([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc2c(c1OC)OCO2 35325401 XOCGAUYHLDSSMC-ZCFIWIBFSA-N 360.326 0.572 0 40 FCAB CC(=O)c1ccc(NC(=O)Cn2nc(N3CCOCC3)ccc2=O)cc1 49550055 JJGAYOMFMJUUMD-UHFFFAOYSA-N 356.382 0.921 0 40 FCAB CC(C)NC(=O)CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 53625262 YSMUYQBHANGPSZ-HNNXBMFYSA-N 367.471 0.871 0 40 FCAB O=C(CN1CCN(CCn2cncn2)CC1)N1CCCc2ccccc21 66884708 PJAIKKBAFMZUFZ-UHFFFAOYSA-N 354.458 0.875 0 40 FCAB Cn1ncc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1-n1cccc1 83014436 XEWJMNCZQFBBGI-HNNXBMFYSA-N 357.414 0.721 0 40 FCAB Cn1cc(N2CCC[C@H](N3CCN(Cc4ccnn4C)CC3)C2=O)cn1 95999597 CWLKCJJKOLBXAU-KRWDZBQOSA-N 357.462 0.467 0 40 FCAB Cc1cc(N2CCC[C@@H](NS(=O)(=O)CC[C@H]3CCCO3)C2=O)n(C)n1 97015038 FEFAXWWICQBILM-ZIAGYGMSSA-N 370.475 0.712 0 40 FCAB COc1ccccc1-n1c(=O)[nH]c2nc(NCCN(C)C)ncc2c1=O 102911398 YQVQTJRQODTGNJ-UHFFFAOYSA-N 356.386 0.451 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 208267461 OTXSHFPCNVBKQP-LLVKDONJSA-N 369.443 0.086 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 247902811 WGFCRLFNEGONIT-HRLGVUPISA-N 373.384 0.699 0 40 FCAB CN(C)C(=O)[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CCN1C 257216488 CUSHSAMEZZUHIK-QGZVFWFLSA-N 359.470 0.966 0 40 FCAB COCC(=O)N1CC2(CCN(Cc3cn(C)cn3)CC2)C[C@]1(C)CO 257302507 SDEAVBQSAXTZNO-QGZVFWFLSA-N 350.463 0.632 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1cc[nH]n1)CC2 306132980 LYAMIRWNSNXJNF-LBPRGKRZSA-N 356.448 0.170 0 40 FCAB Cn1nncc1S(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 330137682 IAHVXJBKTZDZLQ-LLVKDONJSA-N 373.797 0.691 0 40 FCAB NS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 332680837 FPZJXZBLMSCLEO-STQMWFEESA-N 353.448 0.123 0 40 FCAB C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)n1nc(C2CC2)ccc1=O 575605816 AEKOGOUGPSSANR-CZUORRHYSA-N 374.441 0.532 0 40 FCAB O=C(NCCn1c(O)nc2ncccc2c1=O)c1cc(-c2ccco2)[nH]n1 575609981 ASTIIELGKDGEFX-UHFFFAOYSA-N 366.337 0.910 0 40 FCAB CO[C@]1(CC(=O)NCCCn2ccnc2C)COCCN(C(C)=O)C1 585280600 LGKXJWMDSHVTRI-KRWDZBQOSA-N 352.435 0.352 0 40 FCAB CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1ccc(C2CC2)nn1 626441883 HFCNJHANIOLSAY-NSHDSACASA-N 355.420 0.136 0 40 FCAB COc1ccc(C(=O)N2C[C@@H]3OCCN(CCN(C)C)[C@H]3C2)c(OC)c1 1271217191 PCHUNAIAYREKDA-WMZOPIPTSA-N 363.458 0.791 0 40 FCAB Cc1ccn(C[C@](C)(O)C(=O)NCc2nc(-c3ccccn3)n[nH]2)c(=O)c1 1569080540 XWIMZHFMONXFNH-SFHVURJKSA-N 368.397 0.404 0 40 FCAB NC(=O)Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2c3cccnc3sc21 1888921935 FZZRYFBXGQIQPG-SECBINFHSA-N 360.395 0.437 0 40 FCAB CC(C)CNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1 4569127 XVGSBKNIWCQOCO-AWEZNQCLSA-N 367.471 0.728 0 40 FCAB COc1cc(C(=O)NCCNC(=O)c2cnccn2)cc(OC)c1OC 4985302 ZGJQGZMBLAUMKB-UHFFFAOYSA-N 360.370 0.662 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 5164588 JPUQXHRTAMWBMF-OCCSQVGLSA-N 359.338 0.334 0 40 FCAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(N)=O 8708226 RWTIJOLEYDRLMG-LLVKDONJSA-N 369.443 0.568 0 40 FCAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1 13494761 SRHQKOHPCMHGQF-GFCCVEGCSA-N 373.413 0.603 0 40 FCAB CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164388 BXURIXQJGRLXMJ-QGZVFWFLSA-N 372.469 0.852 0 40 FCAB CS(=O)(=O)Nc1ccccc1NC(=O)Cn1nnc2ccccc2c1=O 24892041 SDBBHJHYZKIBMZ-UHFFFAOYSA-N 373.394 0.802 0 40 FCAB NC(=O)C1CCN(C(=O)CCN2C(=O)NC3(CCCCC3)C2=O)CC1 25707197 WKRSYZUQCYVURL-UHFFFAOYSA-N 350.419 0.355 0 40 FCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OC)C1 40105067 KIWHQKWADJYCFD-STQMWFEESA-N 364.464 0.684 0 40 FCAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)CN2CCOCC2)c1=O 47161782 JQBOOKARZXYQTC-AWEZNQCLSA-N 374.441 0.020 0 40 FCAB COCCNC(=O)Cn1c(N2CCc3ccccc3C2)nc(C)cc1=O 57506460 WBYIRSFUUZUUOV-UHFFFAOYSA-N 356.426 0.877 0 40 FCAB CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1C 58191181 MGYTWLKUYBSBQP-LBPRGKRZSA-N 353.444 0.925 0 40 FCAB COc1ccnc(N2CCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)n1 58328657 CBIPJOJRMKBRKG-GFCCVEGCSA-N 364.450 0.620 0 40 FCAB Cn1cc(N2CCC[C@H](N3CCN(C(=O)c4cccn4C)CC3)C2=O)cn1 95961327 VMKPRXILSNCNDP-KRWDZBQOSA-N 370.457 0.712 0 40 FCAB CCN1CC[C@]2(CN(C(C)=O)CC23CCN(C(=O)N(C)C)CC3)C1=O 96036518 ZOTBDYHWQJZDSP-SFHVURJKSA-N 350.463 0.851 0 40 FCAB Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(C[C@@H]4CCOC4)C3)C2)cn1 96074557 ADCBHCQOIVUQIB-KSSFIOAISA-N 359.430 0.659 0 40 FCAB COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)N2CCOCC2)C1=O 96231398 GGDNFYWUFXUCOZ-AWEZNQCLSA-N 361.398 0.755 0 40 FCAB CC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)N(C)C)C[C@@H]32)C(=O)N1CC(C)C 96261558 IHHFPKKHLYDPGC-IJEWVQPXSA-N 356.492 0.790 0 40 FCAB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](/C=C\[N+](=O)[O-])OC(C)=O 104062334 ULOLEEKLIUKACL-ZKZVFAFKSA-N 361.303 0.135 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1N1C(=O)CCC1=O 225111254 UYHGSDUDIRVRFD-UHFFFAOYSA-N 367.427 0.285 0 40 FCAB Cc1ncn(CC(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)c(=O)c1C 225447075 GZASRKGOTRLJJC-AWEZNQCLSA-N 372.429 0.396 0 40 FCAB Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)CC2 225741012 NQANLHKZZYJFII-CYBMUJFWSA-N 370.409 0.463 0 40 FCAB Cc1noc(-c2ccn3c(CNC(=O)[C@@H]4CC(=O)N(C)C4)nnc3c2)n1 238868280 MGVGBWZYJZYHEY-LLVKDONJSA-N 355.358 0.182 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2cnc(-c3cc[nH]n3)cn2)CC1 257230384 GCBURISIQXSZRL-UHFFFAOYSA-N 350.448 0.928 0 40 FCAB CC(=O)N[C@@]12CN(C(=O)CO)CC[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 257257589 KQHNNSGXDURZHC-BHIYHBOVSA-N 359.426 0.306 0 40 FCAB CNC(=O)CNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1C 257292384 QLFRJOYCPFQEGJ-QAPCUYQASA-N 361.442 0.783 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(Cn3cccn3)c2)CCN1 257331639 XTRCKRDLNYWCFU-HNNXBMFYSA-N 357.414 0.100 0 40 FCAB CC1(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)Cc2ccccc2C1 537713321 PIRSENWSYJGNHQ-UHFFFAOYSA-N 365.499 0.485 0 40 FCAB O=S(=O)(c1cccnc1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575402450 ANSCULYKOXZKON-CYBMUJFWSA-N 362.411 0.873 0 40 FCAB O=S(=O)(NCc1ccncc1OC[C@@H]1CCOC1)NCC(F)(F)F 585083793 PGQUMLZPFWVRFW-SNVBAGLBSA-N 369.365 0.983 0 40 FCAB Cc1noc(CC(=O)N2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@H]3C2)n1 585108528 AYLMOVBTXNYKCS-QEJZJMRPSA-N 371.397 0.960 0 40 FCAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cnsn2)CC1 585149018 WUHSAAFRLZESPR-UHFFFAOYSA-N 368.440 0.820 0 40 FCAB Cc1cc(C(=O)N2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@H]3C2)no1 1549160975 CJIFKYCASZVIOC-CYBMUJFWSA-N 360.370 0.251 0 40 FCAB O=C(Cn1ccccc1=O)N1CCCn2ncc(C(=O)N3CCCC3)c2C1 1565545744 NMKSWFXLWYCVLZ-UHFFFAOYSA-N 369.425 0.713 0 40 FCAB O=C([C@@H]1CN(Cc2noc(C3CCOCC3)n2)CCO1)N1CCOCC1 1888864425 NGXHFDRCNMZXRV-AWEZNQCLSA-N 366.418 0.023 0 40 FCAB COc1ccc(CCNC(=O)C(=O)NCCCn2ccnc2)cc1OC 3664540 MMRQDRIWJVQMNK-UHFFFAOYSA-N 360.414 0.766 0 40 FCAB CCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 4554005 HJMACQWMNUHRSG-AWEZNQCLSA-N 367.471 0.872 0 40 FCAB COc1cc(OC)c(/C=c2\sc3nc(=O)c(C)nn3c2=O)c(OC)c1 6661812 YODNPSAIBGHCLC-QPEQYQDCSA-N 361.379 0.393 0 40 FCAB CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1C 8227910 LIXVVFFUJKRLAR-ZDUSSCGKSA-N 363.439 0.763 0 40 FCAB O=C(Cn1nnn(-c2cccs2)c1=O)c1c[nH]c(C(=O)N2CCCC2)c1 10816647 AIKRMOXNFFYECB-UHFFFAOYSA-N 372.410 0.938 0 40 FCAB O=C([C@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1)N1CCOCC1 12815404 KSBOFWJIJSYMDB-AWEZNQCLSA-N 357.410 0.811 0 40 FCAB Cc1ccc(Cn2c(=O)c3c(nc(SCC(N)=O)n3C)n(C)c2=O)cc1 16839528 CLTMFVQXUWLMNQ-UHFFFAOYSA-N 373.438 0.368 0 40 FCAB C[C@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 22228234 GCMSCGKYMYVKMK-STQMWFEESA-N 355.460 0.102 0 40 FCAB O=C(CN1CCN(c2cnccn2)CC1)N1CCN(c2ccccc2)CC1 27638960 LYFRVNUFZNJSFL-UHFFFAOYSA-N 366.469 0.947 0 40 FCAB CN(CC(=O)N[C@H]1CCCCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 40146133 FLQJFGVIIFQBQH-ZDUSSCGKSA-N 373.862 0.745 0 40 FCAB CC1CCN(c2ncc3c(n2)CN([C@H]2CCS(=O)(=O)C2)C3=O)CC1 46088799 XBYWDRCMQARKBK-LBPRGKRZSA-N 350.444 0.856 0 40 FCAB COc1ccc(CC[C@H](C)NC(=O)CN2CCS(=O)(=O)CC2)cc1 58179632 RHLLQEZXHAIANH-AWEZNQCLSA-N 354.472 0.863 0 40 FCAB CCS(=O)(=O)N1CCC(NC(=O)c2cnn3ccc(C)nc23)CC1 68722524 AKXUYKQTXUIJRY-UHFFFAOYSA-N 351.432 0.582 0 40 FCAB COc1cccc(N2CCN(C(=O)c3cn4c(n3)CNCC4)[C@H](C)C2=O)c1 72130733 QTGAZFUHGXLAPU-CYBMUJFWSA-N 369.425 0.872 0 40 FCAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2nccn2C)C3)C[C@@H](C)O1 72335575 HFWHTIYKUNDYOP-BETUJISGSA-N 358.446 0.675 0 40 FCAB Cc1ccc(C(=O)N2CC3(C2)OCC[C@H]3CCNS(C)(=O)=O)cn1 248065212 DRRKYNVJKZYJNS-CQSZACIVSA-N 353.444 0.560 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cncc(-c3ccnn3C)n2)C1 257205792 BAOCDUZLRKREON-LBPRGKRZSA-N 350.448 0.548 0 40 FCAB CN(C)C[C@@]1(O)CCCN(C(=O)CCNC(=O)c2cncc(O)c2)CC1 257306577 SUXFWFPFRXEVIP-GOSISDBHSA-N 364.446 0.212 0 40 FCAB O=C(c1ccc[nH]1)N1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 306133669 MSKRQJOYPBBCGI-KSSFIOAISA-N 358.398 0.662 0 40 FCAB CC(C)Cn1nc2n(c(=O)c1=O)C[C@]1(CCN(Cc3cccnc3)C1)OC2 306138430 RXILDMJNWOTIBG-LJQANCHMSA-N 371.441 0.631 0 40 FCAB Cc1cc(N2Cc3ccnn3[C@H](C(=O)N3CCCCO3)C2)n2ncnc2n1 306142330 WWDUEUASYPEETM-AWEZNQCLSA-N 368.401 0.745 0 40 FCAB O=C(O)[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)CCO1 583650655 ZHCRNRJDEXNBCN-OAHLLOKOSA-N 367.423 0.651 0 40 FCAB COC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(=O)n2[nH]c(=N)[nH]c2n1 598599082 YJQQMNOWOKPXEG-AWEZNQCLSA-N 354.370 0.103 0 40 FCAB Cn1cc(CN2CC[C@H](N)C2)c(C(=O)NCc2ccc3c(c2)CCO3)n1 685942837 RHIPZMDXZVQZCV-INIZCTEOSA-N 355.442 0.818 0 40 FCAB CCN1CCN(S(=O)(=O)c2ccc(N(C)C)nc2)C[C@@]12CCOC2 1615592352 SQNUKVYQYZYYMD-MRXNPFEDSA-N 354.476 0.633 0 40 FCAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)Cn2ccnn2)CC1 2055745612 NTWPDPFRKFFPNH-UHFFFAOYSA-N 360.393 0.637 0 40 FCAB COCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1 4785531 JBKADAZAQBLLOT-UHFFFAOYSA-N 374.397 0.516 0 40 FCAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCC(C)C 5340055 ZDYPNMQKJPTYOH-UHFFFAOYSA-N 369.443 0.946 0 40 FCAB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(OC)cc1)C1=C(COC1=O)N2 7736440 PCBJWZNQURFNKD-GFCCVEGCSA-N 355.350 0.933 0 40 FCAB COc1ccc(O[C@H]2O[C@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)cc1 12378574 HIJHNNAKJPQRND-WOYTXXSLSA-N 367.398 0.816 0 40 FCAB CN(Cc1cccc(F)c1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 12550814 DWIQUSZWZDJVQR-UHFFFAOYSA-N 359.361 0.231 0 40 FCAB CS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 13791413 OBUDRTFJVNFOHY-LLVKDONJSA-N 360.457 0.700 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)CC1 14200292 ZAFCJCOJVSNUQH-UHFFFAOYSA-N 374.397 0.624 0 40 FCAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(c2ncccn2)CC1 15308194 IBXJCHNMSARGRM-UHFFFAOYSA-N 350.382 0.535 0 40 FCAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15325614 ZFJJCQFXQPOHLY-CQSZACIVSA-N 363.439 0.782 0 40 FCAB COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccccc1OC 20529202 ZMYPDQZMECCPSS-KRWDZBQOSA-N 374.441 0.724 0 40 FCAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccon1 23107244 XHEKFISENVQFOU-CQSZACIVSA-N 362.361 0.942 0 40 FCAB NC(=O)c1cc(NC(=O)CNS(=O)(=O)c2cccs2)ccc1F 25145582 ATKAPUQWYAEJNK-UHFFFAOYSA-N 357.388 0.903 0 40 FCAB O=S(=O)(N1CCOCC1)N1CCN(Cc2nc3ccccc3o2)CC1 29701926 FFZMNXITVORFQK-UHFFFAOYSA-N 366.443 0.522 0 40 FCAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 32883721 CXQXGJCOBNWDMI-LLVKDONJSA-N 358.441 0.600 0 40 FCAB CN(Cc1cccnc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 40086501 YMFLZXSTIFGRMZ-UHFFFAOYSA-N 365.411 0.968 0 40 FCAB Cc1ncsc1C(=O)NC1CCN(CC(=O)N2CCOCC2)CC1 51099757 JANUWEBLFREYRX-UHFFFAOYSA-N 352.460 0.505 0 40 FCAB CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NCc2cc[nH]n2)c1 58297897 BYMVSHCDBMYJCZ-UHFFFAOYSA-N 373.413 0.912 0 40 FCAB C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)NCc1ccco1 68627450 BRQWCXHCADPKQF-ZDUSSCGKSA-N 358.402 0.606 0 40 FCAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCCCC1 72348053 WCAPZZHSUZVZLJ-UHFFFAOYSA-N 352.398 0.627 0 40 FCAB O=S(=O)(NC[C@@H](O)CN1CCOCC1)c1ccc(C(F)(F)F)cc1 97008384 RZVIVJQPEYHYOK-GFCCVEGCSA-N 368.377 0.677 0 40 FCAB O=C(CO[C@H]1CN(c2ncc(F)cn2)Cc2ccnn2C1)N1CCCC1 247735578 KMKNFZWQVWDVOS-HNNXBMFYSA-N 360.393 0.840 0 40 FCAB CNS(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)nc1 529069034 MRMACCYXPQWWMF-GEDWGEIESA-N 372.472 0.507 0 40 FCAB CC(C)N(C)CC(=O)N1CCOC[C@]2(C[C@H](Cn3cnnc3)CO2)C1 1565545089 ACGAAQSAUGDAAX-WBVHZDCISA-N 351.451 0.252 0 40 FCAB Cc1cc(=O)n2c(n1)CC[C@]1(CCN(C(=O)CCS(C)(=O)=O)C1)CC2 1614936680 GJUKLRDSXRRGQE-KRWDZBQOSA-N 367.471 0.541 0 40 FCAB COCCn1cnc2c(N3CCN(Cc4nc(C)no4)CC3)ncnc21 1888903979 VLINLGGYKCXIMB-UHFFFAOYSA-N 358.406 0.486 0 40 FCAB Cn1cnc2c(N3CCN(c4ncnc5ncn(C)c45)CC3)ncnc21 1888917918 PGAGKZGQVFCAPC-UHFFFAOYSA-N 350.390 0.367 0 40 FCAB Cn1nccc1C(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772946 BOFIYHYSOYBHGI-UHFFFAOYSA-N 356.430 0.774 0 40 FCAB O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCN1C(=O)c1cccs1 4337287 RFNJFHWZNUCZJI-HNNXBMFYSA-N 373.434 0.979 0 40 FCAB CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 8389832 JZCMAACGDJPINO-UHFFFAOYSA-N 369.443 0.884 0 40 FCAB COc1cccc(C(=O)O[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 8987810 ZYLSKZLKEDULLB-SECBINFHSA-N 361.354 0.103 0 40 FCAB O=C(NC1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 9366516 ZUKPUMWDTRVTGM-UHFFFAOYSA-N 367.427 0.636 0 40 FCAB C[C@@]1(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CCS(=O)(=O)C1 10025121 WTPCUUNZUPFRRA-MAUKXSAKSA-N 364.467 0.771 0 40 FCAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1 13791344 WDZGIZYQDHHMBX-SECBINFHSA-N 351.384 0.180 0 40 FCAB O=C(CN1CCOCC1)N1CCN(Cc2cc(-c3ccco3)on2)CC1 22550418 ZVBANYXEGVKMRZ-UHFFFAOYSA-N 360.414 0.911 0 40 FCAB CS(=O)(=O)NCCc1ccc(C(=O)NCCCN2CCCC2=O)s1 22626517 RDNMZNNHPCDYJF-UHFFFAOYSA-N 373.500 0.582 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)NCc1cccnc1OCC(F)(F)F 33108503 SIHTYNDAQWPMRS-UHFFFAOYSA-N 358.276 0.189 0 40 FCAB COc1cccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1OC 38680347 PGVGPIIAUVGECO-UHFFFAOYSA-N 371.459 0.011 0 40 FCAB O=S(=O)(NC[C@H]1CCN(CCN2CCOCC2)C1)c1ccccc1F 40105693 BZUXDVWLEIXAQF-OAHLLOKOSA-N 371.478 0.758 0 40 FCAB COc1ccc(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 40152969 SSGIDVJSESNFEQ-UHFFFAOYSA-N 374.397 0.520 0 40 FCAB Cc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1N1CCCC1=O 44900499 SLWUDIVBGULUTM-UHFFFAOYSA-N 367.471 0.732 0 40 FCAB Cn1cc(C(=O)NC2CCN(C(=O)CCNC(=O)c3ccco3)CC2)cn1 49011966 RVEDPGZLRJZPPN-UHFFFAOYSA-N 373.413 0.554 0 40 FCAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)N1CCOCC1 54456389 XYZPZMNBAATOAH-CQSZACIVSA-N 361.508 0.418 0 40 FCAB CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)CC1 95477478 FWHDLHGGPDFPOH-GFCCVEGCSA-N 373.388 0.746 0 40 FCAB CCOC(=O)C[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)cnc1N 96008940 SOJHPYKXOSNRQR-GFCCVEGCSA-N 351.812 0.300 0 40 FCAB Cc1oncc1C(=O)N1CC[C@]2(C1)CN(c1cnn(C)c1)C(=O)CN2C 96050360 DLNLQFRHZKJXEK-KRWDZBQOSA-N 358.402 0.280 0 40 FCAB CCN1C(=O)[C@H]2CN(CCOC)C[C@H]2C12CCN(C(=O)COC)CC2 96143619 SNNQYSRGFHATMB-LSDHHAIUSA-N 353.463 0.051 0 40 FCAB CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O)C(=O)O 101273655 LNALKKHWEUBQAX-VXGBXAGGSA-N 354.359 0.780 0 40 FCAB CCCNC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cnn1C 102015767 APUXDRCNECXRIV-BJDJZHNGSA-N 350.375 0.377 0 40 FCAB Cc1cccc(NC(=O)CN2CCN([C@H]3CC(=O)N(C)C3=O)CC2)c1C 102616177 FSLKAIFRKSWFEA-INIZCTEOSA-N 358.442 0.617 0 40 FCAB CCOC(=O)/C=C\C(=O)N1CCN(C(=O)/C=C\C(=O)OCC)[C@H](C)C1 104218734 XGKXDXRFGLBGBN-PJCVCWDBSA-N 352.387 0.284 0 40 FCAB Cn1cnc(S(=O)(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)c1 257290800 QEJGLNPZFLAEHB-CYBMUJFWSA-N 351.432 0.420 0 40 FCAB O=C(NCC1CC1)c1cn2c(nc1=O)C[C@]1(CCN(C(=O)C3CC3)C1)C2 306128386 GZBLJTFDBCVODB-IBGZPJMESA-N 356.426 0.568 0 40 FCAB CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)Cc1ccccc1 409097448 GRWCLTPEONSRTM-UHFFFAOYSA-N 353.444 0.172 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N[C@@]2(CO)COc3ccccc3C2)CC1 529819928 MKSVMCUPWVVLNN-KRWDZBQOSA-N 368.455 0.140 0 40 FCAB Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@H]1CNS(C)(=O)=O 585097635 OKBASDPYKUQUPK-LBPRGKRZSA-N 352.416 0.748 0 40 FCAB COc1cccc(CN2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)c1 585113071 YPDOVRZCKRSYAO-OAHLLOKOSA-N 350.444 0.998 0 40 FCAB COC(=O)c1cc(C)n(C)c(=O)c1CNS(=O)(=O)c1ccccc1 1692693 UCDKZJYNBIBSCS-UHFFFAOYSA-N 350.396 0.959 0 40 FCAB COc1cccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@H]3[C@H](O)[C@H]2NC(C)=O)c1 4185060 KKDNZDNZSHFBCX-WRQOLXDDSA-N 367.398 0.816 0 40 FCAB CNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 4553994 SVDBJJSXVHVPOL-ZDUSSCGKSA-N 353.444 0.482 0 40 FCAB NC(=O)c1c(NC(=O)COC(=O)C2=COCCO2)sc2c1CCC2 4871231 DAHLPZQDAXBODK-UHFFFAOYSA-N 352.368 0.706 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 10255770 KUMBNUVHAYRABI-INIZCTEOSA-N 373.434 0.994 0 40 FCAB C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 14236974 CRLQINIHRFKJSW-KOLCDFICSA-N 358.391 0.599 0 40 FCAB Cn1cc(-c2cc(C(=O)NCCS(=O)(=O)N3CCCC3)on2)cn1 19664680 JPFWTCRMZONKSC-UHFFFAOYSA-N 353.404 0.231 0 40 FCAB CSCC[C@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)C(=O)O 61719567 PYTVQQMDIGSWOP-NSHDSACASA-N 351.384 0.826 0 40 FCAB Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NC3CCCC3)[C@@H]2O)cc1 77264707 WZLMVSCKQGRZOD-ZACQAIPSSA-N 354.472 0.934 0 40 FCAB biogenic,in-vitro CN1CCN(c2ccccc2NC(=O)N(C)CC(C)(CO)CO)CC1 84638225 BRFRQKCGZUWOQP-UHFFFAOYSA-N 350.463 0.893 0 40 FCAB O=C(O)[C@H]1COCCN1S(=O)(=O)c1ccc(Br)s1 88376793 HBUCGPQAWKATHI-ZCFIWIBFSA-N 356.219 0.985 0 40 FCAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(C)C[C@@H](C)O)c1 95461847 ZLBFQXLCEVAXKB-XUIVZRPNSA-N 373.427 0.891 0 40 FCAB Cc1cccc(CN2CC3(CCN(S(C)(=O)=O)CC3)OCC2=O)n1 96062185 FSYWUPKFGCNSEG-UHFFFAOYSA-N 353.444 0.543 0 40 FCAB O=C(Cc1cccnc1)N1CCC[C@@]2(COCCN(Cc3c[nH]nn3)C2)C1 96076449 QPNJIMVFEJRYQG-IBGZPJMESA-N 370.457 0.883 0 40 FCAB COc1ccc(N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)nn1 96223342 DJYUVYPJHANDNP-HNNXBMFYSA-N 363.462 0.540 0 40 FCAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCn2c(nnc2C2CC2)C1 100165859 DUJVOKXZZZXMHF-APYUEPQZSA-N 369.425 0.529 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 198667988 ROGOTDSRXMGECB-ZDUSSCGKSA-N 354.428 0.614 0 40 FCAB COCCNC(=O)CN1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 247904013 WOHONNAXILVPSM-BBRMVZONSA-N 361.446 0.137 0 40 FCAB CN(C)C(=O)CN1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 257222366 DTAVGBNESOLHTP-HNNXBMFYSA-N 360.458 0.822 0 40 FCAB CCn1cc(CN2CCOC[C@H]2c2[nH]ncc2S(C)(=O)=O)c(C)n1 257337922 YVASVLODRGGMSK-ZDUSSCGKSA-N 353.448 0.912 0 40 FCAB O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(Cc4cccnc4)C3)N2C1 514289806 OWOGTJAGJPGIGB-VQTJNVASSA-N 365.481 0.982 0 40 FCAB biogenic,in-vitro O=C(Cc1ccc(-n2cnnn2)cc1)N[C@]1(CO)COc2ccccc2C1 529820316 DZSFNYPTNVESHK-LJQANCHMSA-N 365.393 0.687 0 40 FCAB O=C(NCCOCCN1C(=O)CCC1=O)c1cccc(-n2cccn2)c1 575618533 BJNPDASRUVYSKW-UHFFFAOYSA-N 356.382 0.768 0 40 FCAB O=C(Cc1ccc(Cl)cc1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1 585287993 KZRVFFADBPHGBT-INMHGKMJSA-N 354.834 0.147 0 40 FCAB CO[C@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/CN2CCOCC2)C1 585291564 QBNBKCJLITWSPJ-OQBYNLHGSA-N 367.490 0.751 0 40 FCAB CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(c3cnccn3)C2)C1 1614940872 RSUNXUQQHDGMLG-SFHVURJKSA-N 363.462 0.251 0 40 FCAB Cc1cnc(C(=O)N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)cn1 1888904331 WXNNEBKPSBMSSN-CHWSQXEVSA-N 364.413 0.670 0 40 FCAB O=C(NCc1ccccn1)[C@@H]1C[C@H]2OCC[C@H]2N(S(=O)(=O)C2CC2)C1 2055771482 BMBWLNAGRPRBSP-DAXOMENPSA-N 365.455 0.669 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]12 5252601 MSCKYIVSYZPZJI-HIFRSBDPSA-N 373.365 0.725 0 40 FCAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)CCC2=O)c1 5870594 BWUCAARUURCFKK-UHFFFAOYSA-N 373.818 0.678 0 40 FCAB O=C(c1ccc(O)nn1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 7949701 WOYGTRGVHKKKOT-UHFFFAOYSA-N 366.374 0.468 0 40 FCAB Nn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccc(Cl)cc1 8723423 MCZKMEOKACRNCR-UHFFFAOYSA-N 352.807 0.956 0 40 FCAB CN1C(=O)N(C)C(=O)C2(Cc3cc(C=O)ccc3N3CCOC[C@H]32)C1=O 9344266 MYTCNVIYNPXKDJ-AWEZNQCLSA-N 357.366 0.297 0 40 FCAB CS(=O)(=O)NC1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 14183926 DTWKVMODCDKBBX-CQSZACIVSA-N 351.428 0.332 0 40 FCAB COc1ccccc1N1CCN(S(=O)(=O)c2cnn(C)c2)[C@@H](C)C1=O 19716046 HVQWOPQHZKWPFW-LBPRGKRZSA-N 364.427 0.855 0 40 FCAB C[C@H](CN1CCOCC1)C(=O)Nc1cnn(CC(=O)N2CCCCC2)c1 19746115 MLYASPQKNRJXBV-OAHLLOKOSA-N 363.462 0.802 0 40 FCAB Cc1nn(C)cc1[C@@H](C)NC(=O)Cn1cccc(C(=O)NCC2CC2)c1=O 19750309 KXLTVFOZXFRDKF-GFCCVEGCSA-N 371.441 0.907 0 40 FCAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NC3=NCCS3)cc2)C1=O 19797406 QLLKALPEWURDSF-VIFPVBQESA-N 353.425 0.832 0 40 FCAB CCS(=O)(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 31224292 FNYYLVZCQJGOLV-CQSZACIVSA-N 367.471 0.712 0 40 FCAB COc1ccnc(N2CCN(S(=O)(=O)N3CCC[C@H](C)C3)CC2)n1 40151507 IRBMTANIPASNMY-ZDUSSCGKSA-N 355.464 0.584 0 40 FCAB Cc1nc(CN(C)S(=O)(=O)c2ccc(F)cc2)[nH]c(=O)c1CC(=O)O 49468740 JWUPQXGITBVCJD-UHFFFAOYSA-N 369.374 0.665 0 40 FCAB NS(=O)(=O)c1cnn(CCC(=O)NCc2ccc(-n3cccn3)cc2)c1 58225683 LJUIXUSERDLUNL-UHFFFAOYSA-N 374.426 0.423 0 40 FCAB O=C1CCC(=O)N1CCN(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 58356147 JVBKMKHIKMGBPH-GFCCVEGCSA-N 356.469 0.886 0 40 FCAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCC(=O)OC(C)C)c1 66579145 RHBSUOMARSZBHI-UHFFFAOYSA-N 363.457 0.937 0 40 FCAB COCC(=O)N1CCO[C@]2(COCCN(Cc3csc(C)n3)C2)C1 96076848 MOSKWJOUCXKBSH-INIZCTEOSA-N 355.460 0.528 0 40 FCAB COc1cccc(NC(=O)N2CCN(C(C)=O)C[C@]3(CNC(=O)C3)C2)c1 96143293 DEICIQPHLYSAOD-SFHVURJKSA-N 360.414 0.898 0 40 FCAB CN1C(=O)[C@@H](NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)c2ccccc21 101678122 WILATQFAMXTWRY-HOCLYGCPSA-N 370.409 0.832 0 40 FCAB CC(=O)Nc1nnc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)s1 223407012 NILRKGKYQTUDIG-SNVBAGLBSA-N 361.493 0.897 0 40 FCAB Cc1ccc(C(=O)N2CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]2C)nc1 247931539 QTWUIXKQBYQWET-UONOGXRCSA-N 355.460 0.806 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc(OC)c(Cl)c3)C2)CN1C 247960354 DGLBQEFHWDDLHR-CYBMUJFWSA-N 367.833 0.620 0 40 FCAB Cc1ncsc1CN1CC2(C1)CN(C)[C@H](C(=O)N1CCCCO1)CO2 248027554 MZYITKKYXDWAQM-AWEZNQCLSA-N 366.487 0.891 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2cnc(-c3cncn3C)cn2)CC1 257340087 ZELGCLKNXIVJFT-UHFFFAOYSA-N 350.448 0.863 0 40 FCAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cn1ccc(C(F)(F)F)n1 330764527 PQZHXVBOMPULDW-SECBINFHSA-N 354.354 0.442 0 40 FCAB C[C@@H]1CCn2ncc(C(=O)N[C@H]3CCN(c4ccc5nncn5n4)C3)c2C1 628726932 YAMZHVGPEZWMMG-OLZOCXBDSA-N 366.429 0.912 0 40 FCAB CN1CCS(=O)(=O)C[C@@H]1CC(=O)Nc1cccc(N2CCOCC2)c1 644312040 OLTKJPSHCARVLQ-INIZCTEOSA-N 367.471 0.581 0 40 FCAB CS(=O)(=O)c1ccc(CCC(=O)NC2CN(c3cnccn3)C2)cc1 1888863796 SAEIDLZBPVUWPZ-UHFFFAOYSA-N 360.439 0.818 0 40 FCAB Cc1ccnc(N2CCC[C@]3(CCCN(C(=O)Cn4cnnn4)C3)C2)n1 2056224466 RGRPDAPIWLFSDA-KRWDZBQOSA-N 356.434 0.681 0 40 FCAB CN(C(=O)COC(=O)C1(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 7489680 DEVILPRMFRXTKJ-AWEZNQCLSA-N 351.424 0.907 0 40 FCAB CCCNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC 11904205 QNOOHGWLPQXBIE-UHFFFAOYSA-N 362.429 0.450 0 40 FCAB C[C@H]1CN(CCCNC(=O)Cn2nc(O)c3ccccc3c2=O)C[C@@H](C)O1 12752594 OVARFZQNJLIHEQ-OKILXGFUSA-N 374.441 0.718 0 40 FCAB Cn1c(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc(=O)n(C)c1=O 27982315 RMLNACNUFLQVPB-UHFFFAOYSA-N 363.761 0.828 0 40 FCAB CCOC(=O)CN(CCOC)C(=O)CCNC(=O)Cc1ccccc1 32931829 ZPSORPZRGXRDLX-UHFFFAOYSA-N 350.415 0.774 0 40 FCAB Cn1c(=O)n(CC(=O)NCCc2nnc3ccccn23)c2ccccc21 48304028 FDYMNHGDQOEUNC-UHFFFAOYSA-N 350.382 0.742 0 40 FCAB O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)NCc1cccs1 49400038 NLRAVUBRLVEWFV-UHFFFAOYSA-N 374.426 0.106 0 40 FCAB CN(CC(=O)Nc1nc(-c2cccnc2)no1)S(=O)(=O)c1cccnc1 58357469 KODYMMVDCGFAGS-UHFFFAOYSA-N 374.382 0.786 0 40 FCAB CCNC(=O)CN(CC)C(=O)CCNS(=O)(=O)c1ccc(C)cc1C 69487321 TYDQINALFORLQF-UHFFFAOYSA-N 369.487 0.956 0 40 FCAB C[S@](=O)Cc1cccc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 69598929 MZWZTKIDXZYFGM-RCDICMHDSA-N 358.485 0.719 0 40 FCAB CC(C)CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(C)[C@@H]2CO)cc1 72321475 NMJUFBYLHTUFKB-GDBMZVCRSA-N 356.444 0.975 0 40 FCAB biogenic,in-vitro CC(C)(C)c1ccccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 79111866 SJUBTGQBGMZBOF-LBPRGKRZSA-N 365.455 0.315 0 40 FCAB COCCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 95944805 VAFPMBYVQZPKPE-UHFFFAOYSA-N 371.440 0.807 0 40 FCAB Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(Cc4cnn(C)c4)C3)C2)cn1 96225938 LXERCWHKOSOFEW-GOSISDBHSA-N 369.429 0.556 0 40 FCAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCn1nnc2ccccc2c1=O 102768626 OXRZGABAKIHLKZ-VXGBXAGGSA-N 368.349 0.243 0 40 FCAB COc1ccc(C(=O)N2C[C@H]3OC[C@@H](CNS(C)(=O)=O)[C@H]3C2)cc1F 248150874 WAZBLIIAIDWJJV-LALPHHSUSA-N 372.418 0.471 0 40 FCAB CC(=O)N1CCC(Cc2cnc(CNC(=O)[C@@H]3CCCN3C)cn2)CC1 257203741 ARLVMCZMPJOZTN-SFHVURJKSA-N 359.474 0.988 0 40 FCAB C[C@@]1(O)CCN(C(=O)c2cncs2)C[C@H]1n1cnc2c(N)ncnc21 257333082 YABORLZONUSVLP-MEBBXXQBSA-N 359.415 0.703 0 40 FCAB CCNC(=O)N1CCN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 332317399 IVMNTTZVSHESJG-ZDUSSCGKSA-N 359.430 0.707 0 40 FCAB CO[C@@]1(CC(=O)NCCCn2ccnc2C)COCCN(C(C)=O)C1 585280601 LGKXJWMDSHVTRI-QGZVFWFLSA-N 352.435 0.352 0 40 FCAB CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(c3cnccn3)C2)C1 1565556344 RSUNXUQQHDGMLG-GOSISDBHSA-N 363.462 0.251 0 40 FCAB O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1cc2ncccn2n1)N1CCCC1 1615549853 SDBBTFNTNGOKIQ-KKUMJFAQSA-N 355.398 0.724 0 40 FCAB CNC(=O)CNC(=O)COC(=O)c1cccnc1Nc1ccccc1OC 8362358 RNOXAJKRPHQVPB-UHFFFAOYSA-N 372.381 0.853 0 40 FCAB COCCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCOC[C@@H]32)C1=O 8997125 WKTVPZHONVQPSW-DNVCBOLYSA-N 373.409 0.549 0 40 FCAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NC2CCCC2)n1 9037660 KIJNXGGOFOCMRR-UHFFFAOYSA-N 358.402 0.824 0 40 FCAB O=C(Cn1[nH]c(=O)ccc1=O)Nc1nn2cc(-c3ccccc3)nc2s1 9467684 UADSIDLBCDOAEW-UHFFFAOYSA-N 368.378 0.947 0 40 FCAB CC(C)NC(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12030888 IRDISNDDSGJNDC-LLVKDONJSA-N 363.432 0.925 0 40 FCAB COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3cccnc3)C2)nn1 19593583 IIGRWSKSVQQORA-AWEZNQCLSA-N 372.429 0.602 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(N2CCOCC2)nc1 22995431 GXOFACIGWAEXQV-UHFFFAOYSA-N 366.381 0.662 0 40 FCAB CS(=O)(=O)N1CCCN(Cn2nc(-c3cccs3)oc2=O)CC1 23042708 LKLYLEKAQAJESY-UHFFFAOYSA-N 358.445 0.490 0 40 FCAB CCS(=O)(=O)N1CCC(NC(=O)NCc2ccc(OC)nc2)CC1 23143566 CMIWAPJVMAQLEI-UHFFFAOYSA-N 356.448 0.704 0 40 FCAB COc1ccccc1NC(=O)Cc1noc(CN2CCC(C(N)=O)CC2)n1 23751646 RURVBVHJVKKBLU-UHFFFAOYSA-N 373.413 0.957 0 40 FCAB COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 32641426 VHTLCHVMEPVXKG-OCCSQVGLSA-N 369.439 0.815 0 40 FCAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 32883722 CXQXGJCOBNWDMI-NSHDSACASA-N 358.441 0.600 0 40 FCAB O=C(C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCOCC1 36597344 WSXIQUJZOWSFIP-GFCCVEGCSA-N 361.354 0.289 0 40 FCAB CCCNC(=O)CN1CCC(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CC1 57004792 QWAAZYHUAUXPHI-PKOBYXMFSA-N 374.485 0.935 0 40 FCAB CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)cc1 58193085 KSCSEZKHOWZDKH-LLVKDONJSA-N 353.444 0.772 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2n1C 58202696 ICZKHVHBNARBMD-CYBMUJFWSA-N 364.471 0.699 0 40 FCAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1cc2n(n1)CCCO2 90626766 VMELAYUOHPZZFR-UHFFFAOYSA-N 355.354 0.912 0 40 FCAB O=C(N[C@H]1CCC12CCN(S(=O)(=O)C1CC1)CC2)c1cnccn1 96051539 XEYFVBMPYGJVCE-AWEZNQCLSA-N 350.444 0.943 0 40 FCAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2nc(C)n[nH]2)C1 222617311 NZVOGVFQIUXGGP-LLVKDONJSA-N 361.493 0.383 0 40 FCAB O=S(=O)(N1CCOCC1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257280254 OKCBETUWBQFREU-ZDUSSCGKSA-N 351.432 0.714 0 40 FCAB Cc1n[nH]c(C)c1CC(=O)N(C)C[C@@]1(O)CCCN(c2ncccn2)C1 257311955 ULTBKKWIHBBMMN-SFHVURJKSA-N 358.446 0.849 0 40 FCAB CN1CCN([C@H]2CCN(C(=O)c3ccc4c(c3)ncn4C)CC[C@@H]2O)CC1 257313784 UUDKUOQCHFRROD-OALUTQOASA-N 371.485 0.786 0 40 FCAB COc1ccc(CNC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1C(=O)O 521402300 FFEJOEAGKWLQMO-GFCCVEGCSA-N 356.400 0.434 0 40 FCAB NC(=O)Cc1csc(NC(=O)C[C@@H](c2ccsc2)n2cnnn2)n1 524735673 QQPYARZHSRCVDC-JTQLQIEISA-N 363.428 0.837 0 40 FCAB CN(C)C(=O)[C@@H]1COC2(CN(C(=O)c3c[nH]c4ccccc34)C2)CN1C 575405125 RGLYAIHNGMGJOH-INIZCTEOSA-N 356.426 0.781 0 40 FCAB Cc1ccccc1C[C@]1(CO)CN(C(=O)Cn2ccccc2=O)CCO1 585278044 PJTFZNVUUDIVMC-HXUWFJFHSA-N 356.422 0.989 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(COC)cc2)C1 643696052 HZYUTQNPJUGWFA-MRXNPFEDSA-N 356.444 0.485 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 1614930519 WDKFTPCSOLTODB-KRWDZBQOSA-N 365.455 0.862 0 40 FCAB COc1cc(CC(=O)N[C@@H](CO)[C@H](O)c2ccccn2)cc(OC)c1O 1643485482 VNOUGATZSKCFEM-SUMWQHHRSA-N 362.382 0.558 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888890995 OOHBFSADWMLMID-NSHDSACASA-N 366.447 0.509 0 40 FCAB Cn1cc(C(=O)N2CCO[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)cn1 2037984642 IEBMIAZMRBNESX-IBGZPJMESA-N 370.409 0.695 0 40 FCAB Cn1c(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)cc(=O)n(C)c1=O 2298041253 NGWRNTQUGMVPKK-LBPRGKRZSA-N 370.400 0.558 0 40 FCAB COCc1cccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c1 679466 LWUOETZNIGDKCT-UHFFFAOYSA-N 357.370 0.219 0 40 FCAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)O 1576106 WRDZCFUWKUEZOX-UBHSHLNASA-N 352.387 0.889 0 40 FCAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)NC[C@@H]1CCCO1 3437565 VTHKTBPJCYUMAW-BBRMVZONSA-N 370.409 0.926 0 40 FCAB CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C)C(=O)O 4090587 QEGKDAFWQOHJND-YGRLFVJLSA-N 362.386 0.769 0 40 FCAB biogenic COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc2c(c1)OCO2 4855325 UDSNDUKMXRWEOS-ZDUSSCGKSA-N 373.317 0.728 0 40 FCAB biogenic COCC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(C(C)(C)C)n3)CO[C@H]12 5433889 UWVFUTBDTPEXIC-UOVKNHIHSA-N 350.419 0.483 0 40 FCAB biogenic,in-vitro Cc1nc2ncnn2c(C)c1CC(=O)N1CCN(c2ncccn2)CC1 8134634 GLSOQKGTTYXSCE-UHFFFAOYSA-N 352.402 0.422 0 40 FCAB Cc1cc(=O)n2c(n1)NC(N1CCN(CCO)CC1)=N[C@@H]2[C@H]1CC=CCC1 9289570 KGWUXHJYMMWTBP-RDJZCZTQSA-N 372.473 0.798 0 40 FCAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3nnc4ccccn34)ccc21 9604542 CMZWJHMBNYBCLJ-UHFFFAOYSA-N 364.365 0.682 0 40 FCAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 9842603 YJIJTUDTYKYEPD-SSDOTTSWSA-N 366.399 0.992 0 40 FCAB CC(=O)COc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 12422020 UKBZOKGEYHRJFU-UHFFFAOYSA-N 369.381 0.553 0 40 FCAB CN1CCN(C(=O)Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)CC1 23216169 BBXWYNUZNLSIRI-UHFFFAOYSA-N 374.485 0.778 0 40 FCAB CCOC(=O)N1CCC(NC(=O)Cn2nnc3ccccc3c2=O)CC1 24472410 ZRUHMURAVZRTSN-UHFFFAOYSA-N 359.386 0.529 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccco1 30584021 RRBXIJXKSKIZDO-LBPRGKRZSA-N 357.432 0.330 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1F 32824081 NDCQCLIJNXBMGH-NSHDSACASA-N 350.437 0.918 0 40 FCAB COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)Nc2cc(C)on2)cc1 32926765 VEHIAPQUDMKZJK-UHFFFAOYSA-N 360.326 0.463 0 40 FCAB C[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)N1C[C@@H](C)O[C@H](C)C1 58324030 VKMGOJPDLGYVRD-ARFHVFGLSA-N 362.478 0.806 0 40 FCAB C[C@@H](Sc1n[nH]c(=O)n1C[C@H]1CCCO1)c1nc(N)nc(N(C)C)n1 58380625 SACGMNMJPGCQTO-RKDXNWHRSA-N 366.451 0.437 0 40 FCAB C[C@H]1Cc2cc(C(=O)N3CCNC(=O)CC3)ccc2N1S(C)(=O)=O 65903193 LVBACXRGEXVVPU-NSHDSACASA-N 351.428 0.359 0 40 FCAB Cn1c(CCNC(=O)Nc2cnn(CC(N)=O)c2)nc2ccc(F)cc21 72305849 LTUCEPYGAQKHIV-UHFFFAOYSA-N 359.365 0.758 0 40 FCAB Cc1ccc(N2C[C@H](C(=O)NC[C@H](O)CN3CCOCC3)CC2=O)cc1 89633400 SCKQFGNNQNBYQF-WBVHZDCISA-N 361.442 0.157 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 96098092 MILZOVZHVVTNBX-ZDUSSCGKSA-N 360.457 0.196 0 40 FCAB CCc1ccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)NC)=NO3)C2)cc1 96225432 BFGHRSYEQKTXCK-INIZCTEOSA-N 351.428 0.905 0 40 FCAB COC(=O)C1=NN(CCC(C)=O)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 100937441 QJLIZBFWQTUGDK-ZFWWWQNUSA-N 357.366 0.677 0 40 FCAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=C1C(=O)NC(=O)NC1=O 101032156 KABPCGFSQLUZNY-CYBMUJFWSA-N 370.365 0.482 0 40 FCAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3cccnc3)[C@H]4C2=O)no1 106022124 IOZYEGGIGLQOAY-JNNRSPCRSA-N 366.377 0.981 0 40 FCAB COc1nn(C)cc1C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225602020 RPJVMJXRQSVZDW-UHFFFAOYSA-N 372.429 0.560 0 40 FCAB O=C(N[C@@H]1CN2CCOC[C@H]2[C@@H]1OCc1ccccn1)c1cnccn1 247506846 RRZYVDHPZKKHNB-IXDOHACOSA-N 355.398 0.270 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2ccn(C)n2)CCN1CCc1ccccc1 257274684 NMBZJYAMKOBISN-KRWDZBQOSA-N 355.442 0.535 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2ccccc2Cn2cccn2)CCN1C(C)=O 257292511 QLWZMKYURZLTGJ-QGZVFWFLSA-N 369.425 0.350 0 40 FCAB CN(C(=O)CCc1ccccc1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257300285 RTSQZBRIRNZAAE-MBOZVWFJSA-N 359.470 0.791 0 40 FCAB CCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)c2ccnn2C)CC1 306144719 ZMXMFEVOHSUKJD-UHFFFAOYSA-N 371.445 0.630 0 40 FCAB CC(=O)N1C[C@@H]2CN(C(=O)NC3CCCCC3)CCN2[C@](C)(CO)C1 514288337 NXCQISBSXSLENN-WMZOPIPTSA-N 352.479 0.628 0 40 FCAB biogenic,in-vitro Cn1c(=O)ccc2ccc(NC(=O)N3C[C@@H](O)[C@H](n4ccnn4)C3)cc21 626539247 IPOBNJVCVRBIQO-HUUCEWRRSA-N 354.370 0.580 0 40 FCAB C[C@@H](C(=O)N=c1nc(C2CCOCC2)[nH]s1)n1cnc2c(N)ncnc21 629104936 JDIMQDUVFFDCBR-QMMMGPOBSA-N 374.430 0.776 0 40 FCAB CNC(=O)c1cccc(CCNC(=O)N2CCC[C@@H]2CS(C)(=O)=O)c1 660742672 YFOLIVBFIFXHPF-OAHLLOKOSA-N 367.471 0.807 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3cc(F)cc(Cl)c3)C2)C1 685942599 PKEQDXDYCGEHNU-JTQLQIEISA-N 353.781 0.898 0 40 FCAB O=C(Nc1ccnnc1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1219048616 YBUHPUPJGQEBOI-CYBMUJFWSA-N 355.420 0.135 0 40 FCAB CNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3csnn3)CC2)CO1 1565551202 BBZOHPUEXAYJDH-LLVKDONJSA-N 353.448 0.869 0 40 FCAB CCc1ccc(C(=O)N2CCN(C(=O)N(C)C)C[C@]3(CNC(=O)C3)C2)cn1 1614940466 NAIWCTIPZZEKDE-LJQANCHMSA-N 373.457 0.590 0 40 FCAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)CCS(C)(=O)=O)n1 2055759368 PLIZLFRFNOTBTI-GJZGRUSLSA-N 365.455 0.527 0 40 FCAB CC(C)(C)CC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2 2332243034 CWZFIBYURSKKMS-ZDUSSCGKSA-N 355.460 0.714 0 40 FCAB COc1ccc([C@H](NC(=O)n2[nH]c(=O)[nH]c2=O)P(=O)(OC)OC)cc1 1872241 GEDQQZAWOMFVSJ-SNVBAGLBSA-N 372.274 0.616 0 40 FCAB COc1cccc(N2C[C@H](NC(=O)N3CCN(C(C)=O)CC3)CC2=O)c1 4373425 WIDHKDPGDYEONK-CQSZACIVSA-N 360.414 0.674 0 40 FCAB COc1ccc(N2C[C@H](NC(=O)NCCOCCO)CC2=O)cc1OC 4479788 ZGZXQTXRTCCUII-GFCCVEGCSA-N 367.402 0.117 0 40 FCAB CCN(CC)CCNC(=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850565 NDOAMXXTBWAWPD-UHFFFAOYSA-N 358.442 0.918 0 40 FCAB CCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1CCCO 6366356 QZXYYCRPEBECFQ-UHFFFAOYSA-N 364.427 0.717 0 40 FCAB COc1cccc(NC(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1 8012017 USGPKCLMQXQVPP-SNVBAGLBSA-N 357.370 0.642 0 40 FCAB O=C(C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O)Nc1ccccc1 8624541 SYNGCFPKQRJTNB-CIRFHOKZSA-N 362.426 0.811 0 40 FCAB biogenic,in-vitro CCNC(=O)NC(=O)CN1CCC(NS(=O)(=O)c2ccccc2)CC1 14136561 DJLOKZUNPZRCIC-UHFFFAOYSA-N 368.459 0.275 0 40 FCAB O=C(NCCc1cccs1)C(=O)NCn1nnc2ccccc2c1=O 14226571 BEIPYKOLMFPICD-UHFFFAOYSA-N 357.395 0.286 0 40 FCAB CN(C)C(=O)[C@H]1CN(C(=O)CCCN)C[C@@]12CCc1ccccc1C(=O)N2 19580977 AFWDZMVZHWOZDR-UZLBHIALSA-N 372.469 0.387 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 20491921 QIJBJMAPYRNOJL-GFCCVEGCSA-N 354.432 0.242 0 40 FCAB COCCN(CN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 23623090 YNJJZDFMLLCVGU-ZDUSSCGKSA-N 373.475 0.334 0 40 FCAB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)NC(N)=O)CC(=O)N2 40400177 AFTHMTNCLDRDSP-SSDOTTSWSA-N 372.341 0.143 0 40 FCAB CNC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccncc2)cc1 58203109 XXTBJDHSJJPYFE-UHFFFAOYSA-N 362.411 0.748 0 40 FCAB O=C(c1ccc(-n2cccn2)nn1)N1CCN(C(=O)c2ccco2)CC1 70641156 FXZSZSZJQOBXCW-UHFFFAOYSA-N 352.354 0.854 0 40 FCAB CC(C)NC(=O)[C@@H]1CN(S(C)(=O)=O)C[C@]12Cc1ccccc1C(=O)N2 72334465 ZBIJGNRXCXRXOS-WMLDXEAASA-N 365.455 0.127 0 40 FCAB CNC(=O)N1CCN(S(=O)(=O)c2ccc(OCCOC)c(C)c2)CC1 79060866 UIDAKMJPIVFPFU-UHFFFAOYSA-N 371.459 0.666 0 40 FCAB O=C(Nc1cccnc1)C1=NO[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1 96226052 RIVRKOXJZWNOIL-OAHLLOKOSA-N 350.400 0.733 0 40 FCAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2noc3ccccc23)C1 225678822 UBMHZTRODUDDLA-UHFFFAOYSA-N 360.395 0.789 0 40 FCAB COc1cc(N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)ncn1 247896233 OWCQOPJBUPXKSL-CYBMUJFWSA-N 353.444 0.905 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc(C4CC4)on3)C2)CN1CC1CC1 247952965 MTAXFXGNIYCBAY-HNNXBMFYSA-N 374.441 0.603 0 40 FCAB Cc1cncc(C(=O)N2CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]2C)c1 253602971 UNBFHYBATLVKDO-UONOGXRCSA-N 355.460 0.806 0 40 FCAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3cc(C)no3)CC2)OC[C@]1(C)O 257253075 JXMGYEZKFQBOFK-HOCLYGCPSA-N 351.403 0.634 0 40 FCAB Cn1cc(CNS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)cn1 507271486 GUHJXMWRZVXJGX-UHFFFAOYSA-N 353.356 0.368 0 40 FCAB COC[C@H]1CCCN1C[C@@H]1OC[C@H](NS(=O)(=O)c2ccccc2)[C@H]1O 514288869 IJSUCUKBBHWNIX-BSWAZPDLSA-N 370.471 0.204 0 40 FCAB biogenic,in-vitro CCN1CCN(C(=O)Cc2noc([C@H](CC(C)C)NC(C)=O)n2)CC1 585084176 CWVWIMUSCNXIKE-AWEZNQCLSA-N 351.451 1.000 0 40 FCAB CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1cccc2c1OCC2 643704274 OJCXMBXFQMSVDR-INIZCTEOSA-N 354.428 0.537 0 40 FCAB COC(=O)C1=NN[C@@]2(CC(=O)N(c3cccc(Br)c3)C2=O)C1 4844497 GOJDVMLCZZEQGL-CQSZACIVSA-N 366.171 0.974 0 40 FCAB CNC(=O)CNC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 8502101 HSRAKIMUONWPEK-GOSISDBHSA-N 358.398 0.022 0 40 FCAB CCn1c(=O)n(CC(=O)N2CCN(c3ncccn3)CC2)c2ccccc21 8884080 JZCLBSNTGOZZJE-UHFFFAOYSA-N 366.425 0.962 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCO)C1 9225917 LXPFVTHOGPQPAK-ZDUSSCGKSA-N 356.444 0.513 0 40 FCAB CC(=O)Nc1ccc(NC(=O)CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1 9660757 IWZSUAJFFALGRR-UHFFFAOYSA-N 373.413 0.600 0 40 FCAB CCCCCn1c(=O)c2c(nc3n2CC(C)=NN3CCCO)n(C)c1=O 10387032 BZOACDQNTNZRJM-UHFFFAOYSA-N 362.434 0.665 0 40 FCAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCOCC3)CC2)Oc2ccccc21 12085702 WSRPNTXYPWLLCR-IBGZPJMESA-N 373.409 0.376 0 40 FCAB CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccc(Cl)s1 12772650 KWUNJPGBZAWSFN-UHFFFAOYSA-N 356.835 0.696 0 40 FCAB C[C@H](CNC(=O)CN1CCN(CC(=O)NC2CC2)CC1)c1ccccc1 22800389 HDYVCUXWVZAKGC-MRXNPFEDSA-N 358.486 0.803 0 40 FCAB COc1ccc(S(=O)(=O)NCCCn2ncccc2=O)cc1OC 23137463 UZFQBZJNJHNTFV-UHFFFAOYSA-N 353.400 0.629 0 40 FCAB CS(=O)(=O)N1CCCN(Cn2ncc(Cl)c(Cl)c2=O)CC1 27087835 JUMYUWRKMZOXLW-UHFFFAOYSA-N 355.247 0.475 0 40 FCAB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 36393241 HLHKHRYXSOOIGT-HUUCEWRRSA-N 366.487 0.238 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1F 56054167 REIODSXCDSVJQH-NSHDSACASA-N 350.437 0.836 0 40 FCAB NC(=O)C1(CNS(=O)(=O)c2cnn(-c3ccccc3)c2)CCOCC1 71832839 REPRPTNGRBUQPM-UHFFFAOYSA-N 364.427 0.433 0 40 FCAB Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC3=O)nc2n(C)c1=O 95451319 PFWWQRDBACYBRT-BXUZGUMPSA-N 370.409 0.606 0 40 FCAB CN(C)C(=O)N1Cc2ncn(C)c2[C@@H](COCCN2CCOCC2)C1 96045027 JXGBOPUZMNFZJS-CQSZACIVSA-N 351.451 0.350 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)N3CCCN(CC(F)(F)F)CC3)cnc21 96998140 RKEINBRHHQQUGA-UHFFFAOYSA-N 372.351 0.227 0 40 FCAB NC(=O)[C@@H]1CCCN1[C@@H](C(=O)O)c1cn(CC(=O)O)c2cc(F)ccc12 108121418 MPRDHXZUCUBYRX-SWLSCSKDSA-N 363.345 0.940 0 40 FCAB CCOc1ccsc1C(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NC)CO2 248083462 QXZGZZYUMVZTIH-LLVKDONJSA-N 353.444 0.418 0 40 FCAB Nc1nc(N)c2ncn([C@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3O)c2n1 257214379 CLTLDHATXVEIAL-RYUDHWBXSA-N 369.385 0.545 0 40 FCAB CC(C)n1ccnc1CN1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 257281853 ORGFXMITZYMEHL-HOCLYGCPSA-N 356.492 0.825 0 40 FCAB O=C(c1ccoc1)N1C[C@H]2c3nn(CC4CCC4)c(=O)c(=O)n3C[C@H]2C1 306125276 CLDIKDOQKMUMMG-ZIAGYGMSSA-N 356.382 0.668 0 40 FCAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1 408612748 YPAPSZYZDNEXTF-UHFFFAOYSA-N 368.411 0.900 0 40 FCAB CN1CC2(CN(C(=O)C3CCC3)C2)OC[C@H]1C(=O)NCC1CCOCC1 575404916 PNXJZCQEOXAPMO-INIZCTEOSA-N 365.474 0.241 0 40 FCAB CCS(=O)(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@H]1C 585096640 XECPKNRXDICGBH-GFCCVEGCSA-N 363.443 0.934 0 40 FCAB O=c1ccc(-n2cncn2)nn1CC1CCN(C[C@@H]2CCCOC2)CC1 585500773 PBNMAYCWDUFVNJ-INIZCTEOSA-N 358.446 0.963 0 40 FCAB COc1ccc(-c2cc(CNC(=O)[C@H]3C[C@@H](O)CN3C(C)=O)on2)cc1 618253034 DNCYOWFFSJWRPK-CXAGYDPISA-N 359.382 0.948 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(Cc2cc(OC)c3c(c2)OCCO3)C1 643756142 MKNSRWCMWAOJQC-SFHVURJKSA-N 350.415 0.929 0 40 FCAB O=C(O)[C@H](Cc1ccncc1)NS(=O)(=O)c1cccc2c1OCCO2 647928260 IFZAZJNPCBNFNM-LBPRGKRZSA-N 364.379 0.827 0 40 FCAB O=C1NCCN1Cc1ccccc1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 656602443 DLVRMYDZVLVDBI-FZKQIMNGSA-N 374.397 0.777 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)[C@@H]2COc3ccccc32)CCO1 681942469 BLYTZMSIVBURKH-UKRRQHHQSA-N 362.382 0.323 0 40 FCAB Cn1cc(C(=O)N[C@@H]2CCO[C@]3(CCN(C(=O)C4CC(O)C4)C3)C2)cn1 2055835095 WQKIASBIOFCNRP-AXHNWQMSSA-N 362.430 0.071 0 40 FCAB COc1ccc(N[C@@]2(Br)C(=O)NC(=O)N[C@@H]2C(=O)O)cc1 1693968 VHKVZOFKXILBSO-PRHODGIISA-N 358.148 0.491 0 40 FCAB COCCN1C(=O)/C(=C(\C)NNC(=O)C2CCCCC2)C(=O)NC1=S 6585616 UYARVZLLRHZJGO-ZRDIBKRKSA-N 368.459 0.351 0 40 FCAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 8298765 OHKAYGACEBQSTH-QGTPRVQTSA-N 373.432 0.936 0 40 FCAB biogenic,in-vitro NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cc1 12533855 CDCPRRZVKDMPDX-UHFFFAOYSA-N 360.439 0.687 0 40 FCAB CN(C)CCN(C)C1CCN(Cc2cnc(N3CCOCC3)nc2)CC1 19582455 ZLOMLDXLJCOJRW-UHFFFAOYSA-N 362.522 0.771 0 40 FCAB COCCNC(=O)C1=CC(c2ccccc2OC)=NS(=O)(=O)N1C 20220012 DFJQZEUTUHPCRW-UHFFFAOYSA-N 353.400 0.321 0 40 FCAB COCCNC(=O)NC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O 21268134 YUJSUGRAULNYGN-JTQLQIEISA-N 366.349 0.455 0 40 FCAB CC[C@H](C)NC(=O)CN1CCN(CN2C(=O)c3ccccc3C2=O)CC1 22912413 USMRRBGQWYRELS-AWEZNQCLSA-N 358.442 0.772 0 40 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CS[C@H]1CN(c2ccc(C(=O)NC3CCOCC3)nn2)C[C@H]1N(C)C 89314161 WTYJQGVAJLPOMU-CABCVRRESA-N 365.503 0.867 0 40 FCAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCCCOCCO)C1 96003224 COEMIQMFIZKHAC-MRXNPFEDSA-N 363.414 0.700 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]12 100639106 FOBTVDUCPRNSBE-DZGCQCFKSA-N 357.366 0.943 0 40 FCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H]1COc2ccccc2O1 245237049 DGNRKCOGLMFVCT-KBPBESRZSA-N 368.455 0.452 0 40 FCAB COCC(=O)N1CC2(CCN(Cc3[nH]cnc3C)CC2)C[C@@]1(C)CO 257219634 DHMYKLHOCGQNRC-KRWDZBQOSA-N 350.463 0.930 0 40 FCAB CNc1nc([C@@H]2CCN(C(=O)C(C)(C)O)C2)nc2c1CCN(C(C)=O)C2 257235333 GXJBCNVRLMDEHC-GFCCVEGCSA-N 361.446 0.510 0 40 FCAB Cc1ncc(C(=O)N2CCOC[C@@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257303781 SIRSSAGYLRHSES-LLVKDONJSA-N 351.388 0.125 0 40 FCAB O=S(=O)(NCC[C@@H]1CN(c2ncccn2)Cc2ccnn2C1)C1CC1 306124300 BMFSQUUTMDLWTR-CYBMUJFWSA-N 362.459 0.781 0 40 FCAB Cn1cc(CN2CC[C@]3(CCn4c3nnc(-c3nccn3C)c4=O)C2)cn1 306125715 CZJOFBKTEPHQPQ-SFHVURJKSA-N 366.429 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JNDKVLOEPGUVSG-WJFTUGDTSA-N 368.474 0.226 0 40 FCAB CNC(=O)c1cccnc1N1C[C@H]2CN(C)CC[C@@]2(c2nc(C)no2)C1 685940828 WJFHPOIQNKAIHI-FZKQIMNGSA-N 356.430 0.842 0 40 FCAB CCS(=O)(=O)N(C)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565522287 FSQHBVPFHGBBII-UHFFFAOYSA-N 350.448 0.862 0 40 FCAB COc1cnc(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)nc1 1565545369 GRIXZXOQKFNUQE-UHFFFAOYSA-N 370.413 0.353 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCCn2nnc(COc3ccccn3)c2C1 1565547912 YIHJMDINILDUIA-LAQFHYBYSA-N 355.398 0.877 0 40 FCAB CCOCCCNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713619 OINNLCASBKOFHQ-AWEZNQCLSA-N 364.446 0.461 0 40 FCAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1 5365398 JJQBPVXDQURWQA-UHFFFAOYSA-N 374.397 0.591 0 40 FCAB CSCC[C@@H](NC(=O)[C@@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 6908544 SHMHJTVSNICKHD-BXKDBHETSA-N 365.411 0.573 0 40 FCAB biogenic Cc1cccc2nc(COC(=O)CCCN3C(=O)CNC3=O)cc(=O)n12 7219540 HEJZCLOBQJFYRL-UHFFFAOYSA-N 358.354 0.378 0 40 FCAB O=C(NCc1cccnc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 9344275 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JDWJRVLWFVMDDS-TXEJJXNPSA-N 358.402 0.562 0 40 FCAB COCCOc1ccc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)cn1 58438089 XTDYNBAVXUTZCX-UHFFFAOYSA-N 372.447 0.652 0 40 FCAB CN1CCCN(CCC(=O)O)CCN(CCC(=O)O)CCCN(C)CC1 68604154 YPGDJBPCTGUQGZ-UHFFFAOYSA-N 372.510 0.197 0 40 FCAB biogenic Cc1ccc(C(=O)NCC(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1C 72311586 GZSPRQKKJLMNGG-UHFFFAOYSA-N 360.458 0.441 0 40 FCAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCC(N)=O)c2)C1 89920268 YMYLGTQCTQVHJE-TXEJJXNPSA-N 353.444 0.568 0 40 FCAB CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)CS(C)(=O)=O)n1 96217831 YJADCOFUYOSDFJ-LBPRGKRZSA-N 356.448 0.267 0 40 FCAB O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CCN(C(=O)c3cscn3)C2)C1 96225620 DPTZUCYHUXXPJY-ZBEGNZNMSA-N 364.427 0.799 0 40 FCAB CCS(=O)(=O)C1CN(S(=O)(=O)c2ccc(-n3cccn3)cc2)C1 225747471 CJDMXAIUSTUGFG-UHFFFAOYSA-N 355.441 0.680 0 40 FCAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(S(=O)(=O)N(C)C)C3)n1 247932864 GIHSYKZAAXOANR-HNNXBMFYSA-N 355.460 0.946 0 40 FCAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3C(=O)CN1CCCCS1(=O)=O 257201513 AHYJXMKDUHDLCC-QSJFSLAZSA-N 355.504 0.934 0 40 FCAB COCCCS(=O)(=O)N1CCN(c2nccn3nc(C)cc23)CC1 274879135 HFEYZRIXUGVRKQ-UHFFFAOYSA-N 353.448 0.526 0 40 FCAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCO)cc1Cl 408587330 BMRYZTDQXDWFNT-JTQLQIEISA-N 364.851 0.904 0 40 FCAB CC[C@H](C)[C@@H](C(=O)N1CCn2c(nnc2C(F)(F)F)C1)n1cnnn1 604418630 MMUCBNMKFMLINZ-WPRPVWTQSA-N 358.328 0.913 0 40 FCAB COCC1=CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 681409302 KAJNTRAOGKUFIG-UHFFFAOYSA-N 363.418 0.552 0 40 FCAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)[C@H]2CCOC2)Cc2ncnn2C1 1565546551 GNUIHWJGDYSBTK-JKSUJKDBSA-N 369.425 0.589 0 40 FCAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@@H]2O1 1565546643 BJEZETFPIOSAJC-VPZVSGPOSA-N 373.453 0.817 0 40 FCAB CN(C)C(=O)COC[C@@H]1CN(C(=O)c2csnn2)Cc2ncn(C)c21 1614935715 SBBBUCAYQCCCRM-JTQLQIEISA-N 364.431 0.116 0 40 FCAB CC(C)(C)CC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243013 BZTXSAQWROKTPB-ZDUSSCGKSA-N 355.460 0.714 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)NC2CC2)cc1 8650685 CVYFKXXSEBRVEM-GFCCVEGCSA-N 354.428 0.826 0 40 FCAB CN1C(=O)NC2(CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O 8769252 UYJHQTWCANTPIV-UHFFFAOYSA-N 360.370 0.370 0 40 FCAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)NC1CCCC1 8848698 VVJJXTAZQOGOBZ-UHFFFAOYSA-N 355.398 0.616 0 40 FCAB CN(C)C(=O)CN1C(=S)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 9422008 IZXKEFFVCSWISA-OLZOCXBDSA-N 353.469 0.347 0 40 FCAB COc1ccc(Cl)cc1NCC(=O)N1CCN(S(C)(=O)=O)CC1 11125468 ADDZQVGDKOEIAX-UHFFFAOYSA-N 361.851 0.864 0 40 FCAB CS(=O)(=O)CC[C@@H]1NC(=O)N(CN2CCc3ccccc3C2)C1=O 12914865 ZKQCASUXCGVHLH-AWEZNQCLSA-N 351.428 0.357 0 40 FCAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccon1 14159912 JPSVHARRSJPKJO-UHFFFAOYSA-N 368.390 0.759 0 40 FCAB C[C@H]1CN(CC(=O)NCc2ccccc2S(=O)(=O)N(C)C)C[C@H](C)O1 25411765 MIADVLPAXFWSMX-KBPBESRZSA-N 369.487 0.662 0 40 FCAB COc1cccc(-c2nc(CC(=O)NCC(=O)NCC(=O)O)cs2)c1 32093050 HRMGGOKPHJHOOE-UHFFFAOYSA-N 363.395 0.678 0 40 FCAB O=C(CCN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1 32870862 YIBIMKIBIWJKDV-MRXNPFEDSA-N 351.472 0.820 0 40 FCAB COc1cccc(N2C[C@H](C(=O)NCCn3ncccc3=O)CC2=O)c1 38510207 YVXZUPSKUZHDDW-CYBMUJFWSA-N 356.382 0.421 0 40 FCAB O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)NC1CCCCC1 49400004 KKAFIUSXPCRPHL-UHFFFAOYSA-N 360.418 0.177 0 40 FCAB CNC(=O)c1cccc(-c2noc(C3CN(S(=O)(=O)C4CC4)C3)n2)c1 75156501 SCCAASOVXZCRDC-UHFFFAOYSA-N 362.411 0.988 0 40 FCAB CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)CC1 77264290 MJKYTIALISUBJQ-KURKYZTESA-N 361.442 0.145 0 40 FCAB biogenic,in-vitro CN(CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)S(C)(=O)=O 95446969 ZWFAAKFCVCNLHB-INIZCTEOSA-N 351.428 0.791 0 40 FCAB O=C([C@H]1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1)N1CCOCC1 96263209 OQUBDOMQYKZMSR-MRXNPFEDSA-N 360.458 0.842 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2Cn3ccnc3CO2)cc1 96296246 KRAPMOOBYXWLTF-ZDUSSCGKSA-N 350.400 0.719 0 40 FCAB biogenic,in-vitro Cc1cc(=O)[nH]c(Cc2ccc(N(CC(=O)O)S(C)(=O)=O)cc2)n1 226106560 NGGWYBDFOJCGET-UHFFFAOYSA-N 351.384 0.520 0 40 FCAB COC(=O)COc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1F 226687424 ZSRGTJFGGOGOLY-UHFFFAOYSA-N 361.391 0.959 0 40 FCAB CN1C[C@@H](C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)CC1=O 238882233 PLRZVTDBEUPDKR-NSHDSACASA-N 356.411 0.947 0 40 FCAB Cc1cn([C@H]2C[C@H](CN[C@@H](C)c3ccccc3)[C@H](O)[C@H]2O)c(=O)nc1O 257256754 KMTKPWFRGBTCLC-OBCVZTRHSA-N 359.426 0.891 0 40 FCAB COc1ccc(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)c2ccccc12 257344817 ZYTXEHFGNWITLQ-HZPDHXFCSA-N 350.440 0.943 0 40 FCAB NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2F)C1 271721533 KZECNLRENSOLBO-NSHDSACASA-N 365.452 0.161 0 40 FCAB Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 281642671 RDFSUOLSLOWTRK-RTBURBONSA-N 374.441 0.415 0 40 FCAB O=C(N[C@@]1(CO)COc2ccccc2C1)[C@H]1CC(=O)N(CC(F)(F)F)C1 529820988 IFQSAJUMEUGEEI-LRDDRELGSA-N 372.343 0.880 0 40 FCAB COc1ccc(OC)c(S(=O)(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)c1 575422555 NGYBDECWSBPHCS-AWEZNQCLSA-N 363.457 0.902 0 40 FCAB COCCn1nc([C@@H]2CCCN(S(=O)(=O)C(C)C)C2)n(C2CC2)c1=O 585233899 SNZYDFSRZBUCDL-CYBMUJFWSA-N 372.491 0.944 0 40 FCAB CO[C@]1(COc2cccc(C)c2)CCN(C(=O)CNS(C)(=O)=O)C1 585277481 VMNASQAOOJMNCA-MRXNPFEDSA-N 356.444 0.541 0 40 FCAB CNC(=O)[C@@]1(C)CN(CC2(O)CCN(c3ccc(F)cc3)CC2)CCO1 585287621 ZQNZOQOPMCMFLG-GOSISDBHSA-N 365.449 0.994 0 40 FCAB O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NCc1ccc2c(c1)OCO2 1549160097 AIPVIAHEGCNETA-BMGDILEWSA-N 358.398 0.802 0 40 FCAB CC(=O)N1CC2(CCN(C(=O)[C@H]3CCOC3)CC2)[C@@]2(CCN(C)C2=O)C1 1565556461 JJVDTWXRXUVGTB-KXBFYZLASA-N 363.458 0.342 0 40 FCAB COCc1nsc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)n1 1888903854 AIJZTIDJPRRODB-QWRGUYRKSA-N 372.458 0.934 0 40 FCAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)c2cccc(C)n2)CC1 2055746489 NHPQBKACTVWDKK-UHFFFAOYSA-N 356.430 0.956 0 40 FCAB COCCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 3189924 CNCPNAYZPYYWDF-UHFFFAOYSA-N 372.443 0.239 0 40 FCAB C[C@@H]1CN(c2ccccc2)c2nc3c(c(=O)n(CC(=O)O)c(=O)n3C)n2C1 4370756 WTWUVIQXSBJUJY-LLVKDONJSA-N 369.381 0.769 0 40 FCAB O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@H]1CCS(=O)(=O)C1 4392092 WWHNTHDHMVSTJD-NSHDSACASA-N 350.396 0.366 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCO)CC2)cc1C 4503666 WGXMJZGDVRTAEW-UHFFFAOYSA-N 356.444 0.513 0 40 FCAB COC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3cccc(OC)c3)C2=O)C1 5093055 JLDGVSQCJHFICB-KRWDZBQOSA-N 359.338 0.479 0 40 FCAB CCCN(C(=O)CSc1nc(C)cc(N)n1)[C@@H]1CCS(=O)(=O)C1 7048976 GWWXAMQRKSUWMZ-LLVKDONJSA-N 358.489 0.885 0 40 FCAB NC(=O)Cn1c(CSc2nnnn2C2CC2)nc2ccccc2c1=O 8073793 JIUCJBZTTGPMOK-UHFFFAOYSA-N 357.399 0.496 0 40 FCAB O=C(O)CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCc1ccccc1 12137015 HSYZRWPDWZHHHX-AWEZNQCLSA-N 362.382 0.702 0 40 FCAB in-vitro COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCCN(C(C)=O)CC1 13269704 HYAXDNBPGWESHQ-UHFFFAOYSA-N 356.400 0.636 0 40 FCAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 13790110 KMFSPNNWERLINW-SECBINFHSA-N 371.484 0.946 0 40 FCAB CC1(C)C(=O)N=C(S)N2C(=O)C[C@@H](C(=O)NCCc3ccccc3)N21 14607391 UHLMMFMAXRJLRG-LBPRGKRZSA-N 360.439 0.768 0 40 FCAB CCN(CC)S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN2)n1 19760281 UEUZCEZWWHFGJM-CQSZACIVSA-N 370.523 0.986 0 40 FCAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(N)=O)CC3)ccc21 19936819 FTLVBSNPSFXKFV-UHFFFAOYSA-N 353.400 0.500 0 40 FCAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N2CCOCC2)no1 21156066 DUFUHVUWBHMHNY-AWEZNQCLSA-N 361.402 0.450 0 40 FCAB CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCOCC2)ccc1Cl 21822417 IQODJPUQBBPZFG-UHFFFAOYSA-N 361.851 0.861 0 40 FCAB CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CCO1 29154368 ASYPTUBJQPCZOP-CQSZACIVSA-N 356.444 0.862 0 40 FCAB O=C(CNC(=O)Cn1nnc2ccccc2c1=O)NCCc1ccccc1 36354035 VVMJNDJMOSPLMW-UHFFFAOYSA-N 365.393 0.267 0 40 FCAB C[C@H](NC(=O)c1ccoc1)C(=O)NCCS(=O)(=O)c1ccccc1 40154853 BTEHBYPEAPOVJK-LBPRGKRZSA-N 350.396 0.988 0 40 FCAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCN2CCCCC2)c1 40286754 MVFHYGMFVNUDHY-UHFFFAOYSA-N 357.418 0.511 0 40 FCAB CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 43979854 HDDFURDUAXRAMI-HNNXBMFYSA-N 354.428 0.614 0 40 FCAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCN1CCOCC1 48090280 YTHBGKRBPABSRW-GOSISDBHSA-N 358.442 0.664 0 40 FCAB COc1ccccc1CNC(=O)Cn1nc(N2CCOCC2)ccc1=O 49544444 DKMWMQSWCORUNP-UHFFFAOYSA-N 358.398 0.405 0 40 FCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2n1C 58202697 ICZKHVHBNARBMD-ZDUSSCGKSA-N 364.471 0.699 0 40 FCAB CN(CCCC(=O)NCc1ncn(C)n1)S(=O)(=O)c1ccc(F)cc1 95454082 PYQFBTALXLJUPE-UHFFFAOYSA-N 369.422 0.671 0 40 FCAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cc(Cl)ccc3OC)C(=O)[C@H]12 100639770 JKNBQCGXSBPIGB-QWRGUYRKSA-N 351.746 0.729 0 40 FCAB C[C@H](NC(=O)NC(=O)CSc1nc(N)nc(N)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 103118533 TYTOOKWAQOLAKV-SGIHWFKDSA-N 365.463 0.779 0 40 FCAB O=C(c1ccncc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224321201 AZIXOQLOCJQHCF-UHFFFAOYSA-N 354.414 0.671 0 40 FCAB S=C(Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1)NC1CC1 226003249 ZZBCUNPMOJGFLJ-UHFFFAOYSA-N 364.475 0.599 0 40 FCAB O=C1CCCc2cc(S(=O)(=O)NCCC(=O)NC3CC3)ccc2N1 252491301 LLCQEXVFCASGBM-UHFFFAOYSA-N 351.428 0.908 0 40 FCAB COCCNC(=O)CN1CCO[C@H](c2ccc(Nc3ncccn3)cn2)C1 257304932 SNTGPFFFTOXAAK-INIZCTEOSA-N 372.429 0.751 0 40 FCAB COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)Cn3cccn3)C2)cc1 257334029 YEFKADFOQXRTNI-LJQANCHMSA-N 358.442 0.987 0 40 FCAB CC(C)c1ccc(S(=O)(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1 575421586 RHGFPISGXPRDDO-CQSZACIVSA-N 361.485 0.980 0 40 FCAB O=S(=O)(N1CCOCC1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 585149252 BCKZPLGSESYDOL-HUUCEWRRSA-N 364.427 0.830 0 40 FCAB CN(CCO)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O 585283685 BRFYSVBHFHIMIA-RDJZCZTQSA-N 356.850 0.131 0 40 FCAB CN(C1CCOCC1)[C@H]1CCN(C(=O)/C=C/c2ccnn2C)CC[C@@H]1O 585290055 QVAYSXSJPRMZBK-ZFRRBFPSSA-N 362.474 0.896 0 40 FCAB CO[C@@H]1CN(S(=O)(=O)c2cccc3c2OCC3)C[C@H]1c1cnn[nH]1 657145709 QHNSTVQBMIHDPY-WCQYABFASA-N 350.400 0.543 0 40 FCAB O=C(NC1CCC1)[C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]2OCC[C@H]21 1565549445 XDGGSIZWNDWQRC-GVDBMIGSSA-N 358.442 0.941 0 40 FCAB CN(C)C(=O)N1CCN(C(=O)C2CC(F)(F)C2)C[C@]2(CNC(=O)C2)C1 1565554547 AEPQJMNOPGXUCX-HNNXBMFYSA-N 358.389 0.364 0 40 FCAB CN1C[C@]2(COCC1=O)CN(C(=O)CCc1ccccc1F)CCO2 2037985599 PHSDBDLWXRWJBE-GOSISDBHSA-N 350.390 0.845 0 40 FCAB CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@@H](COCC2CC2)C1 2055708072 DCHVZYODTAEPNG-AWEZNQCLSA-N 355.460 0.703 0 40 FCAB COc1ccc(C(=O)Nc2ccn([C@@H]3C[C@H](O)[C@@H](CO)O3)c(=O)n2)cc1 642897 ZASFNFUJGOZQBW-GUTXKFCHSA-N 361.354 0.145 0 40 FCAB biogenic O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)N1CCOCC1 878409 QOGQAPSCNAQUDX-UHFFFAOYSA-N 358.402 0.036 0 40 FCAB CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1cccc(C)c1 4386210 KILWKYUCZYMMKJ-LBPRGKRZSA-N 373.413 0.224 0 40 FCAB CCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 7289534 FEGIBRXAQWIXDM-MRXNPFEDSA-N 358.358 0.779 0 40 FCAB CC(=O)NCC(=O)N1CC[C@@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 19021252 VSKVTLIFYPPMSP-CYBMUJFWSA-N 355.398 0.622 0 40 FCAB CNC(=O)C1CCN(CC(=O)NCC(=O)Nc2cccc(C)c2C)CC1 29163559 JHSNXVLAFFABRQ-UHFFFAOYSA-N 360.458 0.816 0 40 FCAB CCCCNC(=O)NC(=O)CN1CCCN(CC(=O)N(CC)CC)CC1 32825425 YVZPGALLJBCCQN-UHFFFAOYSA-N 369.510 0.488 0 40 FCAB CC(C)N1CCC[C@H](CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 58210196 QAQKLCHOGXFHMM-CQSZACIVSA-N 358.442 0.926 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ccnc(Nc3cnccn3)n2)C1 72377835 PCKLNKYITJDPDM-GFCCVEGCSA-N 363.447 0.996 0 40 FCAB CC(=O)Nc1ccc(CN[C@@H]2CO[C@H](CNC(=O)NC(C)C)[C@H]2O)cc1 77264888 GRMBGUXVASNDPA-ZACQAIPSSA-N 364.446 0.571 0 40 FCAB biogenic,in-vitro Cc1cccc(C)c1-n1nnnc1CN1CCN(c2cnn(C)c2)C(=O)C1 95408736 IBDCILHBGNVNMQ-UHFFFAOYSA-N 366.429 0.861 0 40 FCAB CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2ncccc2O)CC1 277855022 NSYWRWCDUCAVRP-UHFFFAOYSA-N 370.475 0.912 0 40 FCAB CCn1cc(CN2Cc3ccnn3C[C@@H](CCNC(=O)COC)C2)cn1 306133835 MXPZNWZIOJUPEU-HNNXBMFYSA-N 360.462 0.884 0 40 FCAB C[C@H](CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)S(N)(=O)=O 330591184 OHCXIOKUNHNOIJ-RNFRBKRXSA-N 354.354 0.327 0 40 FCAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCCN1CCOCC1 515932423 NRWSCGPHDANKQY-ZDUSSCGKSA-N 370.475 0.369 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@@H]1CCN(C(=O)Cc3ccccc3)C[C@@H]21 585110168 RJQAVRFRGVGBCX-LSDHHAIUSA-N 354.410 0.613 0 40 FCAB O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CN2CCOCC2)[C@@H](O)C1 585285879 UTJPWEUTISVMCI-WMZOPIPTSA-N 368.861 0.539 0 40 FCAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 585290400 QWRJFZDUSLDSJA-JLAAOLFFSA-N 362.474 0.781 0 40 FCAB Cc1cc(NC(=O)CN2CCN(Cc3cnc4ccnn4c3)CC2)no1 624186091 QVYDZUADQKOPOX-UHFFFAOYSA-N 355.402 0.782 0 40 FCAB O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CCN(c2ncns2)CC1 630003990 WIEKTJTYQBSKIA-UHFFFAOYSA-N 358.383 0.844 0 40 FCAB O=C(CN1CCOCC1)N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055739444 YSMMXVOEFNSXRB-ZDUSSCGKSA-N 362.430 0.120 0 40 FCAB COc1ccc(C(=O)O)cc1S(=O)(=O)NCCCN1CCCC1=O 3261578 FNYFEYANIYFLMU-UHFFFAOYSA-N 356.400 0.684 0 40 FCAB CC(=O)Cn1c(=O)c2c(nc3n(Cc4ccco4)c(C)cn23)n(C)c1=O 4314144 VMIUHRVRQGKMAP-UHFFFAOYSA-N 355.354 0.688 0 40 FCAB CN(C)S(=O)(=O)c1ccc(C(=O)N2C(=O)c3cccc(N)c3C2=O)cc1 6319853 NSZGGNWMGJITTB-UHFFFAOYSA-N 373.390 0.956 0 40 FCAB Cc1csc(=O)n1CC(=O)OCCOc1ccc(S(N)(=O)=O)cc1 7378238 OSHDAFIOMZQJIV-UHFFFAOYSA-N 372.424 0.488 0 40 FCAB CCc1ccc(S(=O)(=O)N(CC(=O)O)[C@@H]2CCS(=O)(=O)C2)cc1 13030243 PHBGWIFXKQGIOX-GFCCVEGCSA-N 361.441 0.511 0 40 FCAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(C)cc1 20674589 DXYCHLKVKHZTMJ-JKSUJKDBSA-N 372.425 0.475 0 40 FCAB NC(=O)C1CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 22017527 UDALRUSTMPBFFM-UHFFFAOYSA-N 351.428 0.564 0 40 FCAB O=S1(=O)CC[C@@H](N2CCN(Cn3ncn(C4CC4)c3=S)CC2)C1 23249247 VPSDCZUPKGDZGD-CYBMUJFWSA-N 357.505 0.511 0 40 FCAB C[C@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)N1CCc2sccc2C1 25384847 APFMYQJCQCRCTO-GXSJLCMTSA-N 365.411 0.553 0 40 FCAB COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 30859081 DSHYDMJYUXFMMX-CYBMUJFWSA-N 369.443 0.930 0 40 FCAB COCCN(C(=O)c1ccc(C)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32994509 RLOJIMHLGGSERA-UHFFFAOYSA-N 364.402 0.969 0 40 FCAB Cc1cc(N2CCN(C)CC2)nc(SCC(=O)N2CCN(C)CC2)n1 33669349 SDLYYELYNDILKK-UHFFFAOYSA-N 364.519 0.403 0 40 FCAB Nc1nccnc1C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 50010189 JXMWEKXODRIBBK-UHFFFAOYSA-N 351.370 0.533 0 40 FCAB O=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1ccc(F)cc1 54225116 JEKUVKTWOQWHIS-UHFFFAOYSA-N 350.394 0.834 0 40 FCAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)c2ccccc2O1 55585050 BMPBMWKWHOPECV-HNNXBMFYSA-N 364.427 0.903 0 40 FCAB Cc1nc(CN2C(C(N)=O)=NC3=NS(=O)(=O)c4ccccc4N32)oc1C 69740139 TUTASGVOPIDBFW-UHFFFAOYSA-N 374.382 0.471 0 40 FCAB COC(=O)C1(O)CCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)CC1 95455796 FSZAWLFHRZMLNP-CHWSQXEVSA-N 355.435 0.391 0 40 FCAB COc1ccc(-c2nn(CC(=O)N3CCOCC3)c(=O)cc2OC)cc1 96101187 HBCZQCIGJIQTCQ-UHFFFAOYSA-N 359.382 0.786 0 40 FCAB COCCN1C[C@H](C(=O)O)CN2CCN(Cc3nccs3)C[C@@H]2C1 96184923 SWEZBDRSURKTGQ-UONOGXRCSA-N 354.476 0.292 0 40 FCAB CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](C(=O)NCCOC)C1 253493566 UPKZEHOGWDPLLE-AWEZNQCLSA-N 357.476 0.117 0 40 FCAB O=S1(=O)CC[C@@H](NN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1 575421865 SELDUUTXWBMERM-HUUCEWRRSA-N 358.485 0.367 0 40 FCAB C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)n1nc(C2CC2)ccc1=O 575605813 AEKOGOUGPSSANR-BBRMVZONSA-N 374.441 0.532 0 40 FCAB C[C@@H]1c2ccccc2OCCN1C(=O)c1nc(N)nc(N2CCOCC2)n1 621147184 LRGKRZXTCZNQDA-GFCCVEGCSA-N 370.413 0.886 0 40 FCAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2ncc3c(F)cccn23)C1 685941835 HVVIFHWXDIMUBR-MISXGVKJSA-N 358.377 0.886 0 40 FCAB COc1cc([C@@H](O)[C@@]2(c3ccc(O)c(OC)c3)NC(=O)NC2=O)ccc1O 1681738 DPSIXARYQVDMII-CRAIPNDOSA-N 374.349 0.883 0 40 FCAB CCN(CC(=O)NC(C)C)C(=O)Cn1c(NCCO)nc2ccccc21 6650513 CXFSIKATPLMBNS-UHFFFAOYSA-N 361.446 0.814 0 40 FCAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)OCC(=O)N2CCCC2=O)no1 7780722 YZFLNXSNCMBYJR-SNVBAGLBSA-N 369.399 0.735 0 40 FCAB CC(=O)N[C@H](C(=O)OCC(=O)NCc1ccc2c(c1)OCO2)C(C)C 8394308 MGFFSFZZDZOSGE-INIZCTEOSA-N 350.371 0.735 0 40 FCAB COc1ccc([C@@H]2C/C(=C3\C(=O)NC(=S)N(C)C3=O)NN2)cc1OC 9419530 SSGZAZPYDNPIHO-FWSONLODSA-N 362.411 0.370 0 40 FCAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCN(c2cnccn2)CC1 11544918 PLSLMVIPQHGVJH-UHFFFAOYSA-N 366.381 0.642 0 40 FCAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 12536700 FUJZPMSPSVABOB-UHFFFAOYSA-N 371.397 0.265 0 40 FCAB CCOC(=O)C1=C(COC(=O)c2cc(OC)ccc2OC)NC(=O)NC1 12869989 WLOVMCGDIRQBKS-UHFFFAOYSA-N 364.354 0.991 0 40 FCAB CS[C@]12CC3=CC=C[C@H](O)[C@@H]3N1C(=O)[C@@](CO)(SC)N(C)C2=O 13377821 OVBAGMZLGLXSBN-IDTSFGKNSA-N 356.469 0.027 0 40 FCAB biogenic COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2 20760993 GDIYQIUQBDAMCC-INIZCTEOSA-N 358.354 0.969 0 40 FCAB biogenic O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1F 22567450 WWCSCPMJCUDYKN-UHFFFAOYSA-N 361.352 0.833 0 40 FCAB Cc1cn([C@@H]2CO[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@H]2O)c(=O)nc1N 35298766 MBNIDHHPLBOFCX-OWVAZHOYSA-N 359.382 0.549 0 40 FCAB COc1ccc(N2Cc3nc(=O)n(CC(=O)N4CCCC4)n3C2=O)cc1 36360592 OBNZUHFQXPYJFX-UHFFFAOYSA-N 357.370 0.664 0 40 FCAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(-n2cncn2)nc1 40107035 MYVGKOFKSBJNJV-UHFFFAOYSA-N 361.365 0.758 0 40 FCAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC(C(=O)Nc2cnccn2)CC1 40151446 OYTVTPWRCHTHQC-NSHDSACASA-N 360.418 0.504 0 40 FCAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H](C)S(C)(=O)=O 72295385 BALMDDOLWUZOBB-GJZGRUSLSA-N 353.488 0.746 0 40 FCAB O=C(c1ccoc1)N1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 96160721 FKVMXOFFTGXJNQ-YJBOKZPZSA-N 359.382 0.927 0 40 FCAB Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(S(C)(=O)=O)C1 96244614 UQVKEGKZHIVYQG-MRXNPFEDSA-N 368.459 0.055 0 40 FCAB CCCn1c(=O)c(C(=O)NCCN2CCNCC2)c(O)c2ccccc21 100621168 UAYFQAMJHIHLOH-UHFFFAOYSA-N 358.442 0.752 0 40 FCAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@@H]3CCCOC3)CC2)C1 171619339 QDCSUYVRHVDRKN-BRWVUGGUSA-N 366.506 0.997 0 40 FCAB CC(C)(NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O 257263741 LRFITIYLLXMNAT-IIAWOOMASA-N 352.406 0.654 0 40 FCAB Cc1nc(O)cc([C@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257281456 OPGCAHXEESBYGT-MRXNPFEDSA-N 357.414 0.918 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)NCCc2ccc3c(c2)CCO3)CC1 265152667 QYRQVKMJUXCQDV-UHFFFAOYSA-N 353.444 0.451 0 40 FCAB O=C(C[C@H]1CN(C(=O)c2cc[nH]n2)Cc2ccnn21)NCC1CCOCC1 585095135 CTWMDICXLPOMKT-HNNXBMFYSA-N 372.429 0.736 0 40 FCAB C[C@@H]1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)O1 661182093 SPOYGIVKNDWOCJ-MCIONIFRSA-N 362.496 0.514 0 40 FCAB O=C1CO[C@@]2(COCCN(C(=O)c3csnn3)C2)CN1CC1CC1 1565551056 IUELFWRENJTYBL-OAHLLOKOSA-N 352.416 0.018 0 40 FCAB Cc1nc(N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)nc(O)c1F 1888899390 YEPADRHOBNDMMP-PHIMTYICSA-N 356.365 0.640 0 40 FCAB CN(C)C(=O)[C@H]1CN(c2ncnc3[nH]cnc23)CCN(C2CCOCC2)C1 2037843792 JQNHIQNCDLKMQX-CYBMUJFWSA-N 373.461 0.358 0 40 FCAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2N2CCOCC2)c1 2436004 OMXWTOKQEFZAKJ-UHFFFAOYSA-N 354.410 0.982 0 40 FCAB CC(=O)OC[C@@H]1O[C@@H](F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2569377 JJXATNWYELAACC-ODXJTPSBSA-N 350.295 0.039 0 40 FCAB O=C(COC(=O)c1nc(Cl)ccc1Cl)N[C@@H]1CCS(=O)(=O)C1 3531198 VIMMJAQSVNOFLA-SSDOTTSWSA-N 367.210 0.849 0 40 FCAB Cc1cc(C)cc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OCC(N)=O)CO[C@H]23)c1 3841703 OYQQGPVDAREXLY-SJXGUFTOSA-N 365.455 0.627 0 40 FCAB biogenic,in-vitro COc1ccc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1F 5192237 OUBBAFBGEKYAOG-UHFFFAOYSA-N 352.318 0.891 0 40 FCAB O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1 8298236 NIWMRDRVLDRPEA-NXHRZFHOSA-N 355.442 0.797 0 40 FCAB biogenic,in-vitro Cc1c(CC(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)oc2cc(O)ccc12 9134870 WUFRZWALOSSHCL-JTQLQIEISA-N 351.380 0.653 0 40 FCAB CNC(=O)NC(=O)CN1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 12534616 BJGQOKJXHBMYAH-UHFFFAOYSA-N 366.290 0.960 0 40 FCAB O=C(CN1CCN(c2ccccc2Cl)CC1)N[C@H]1CCS(=O)(=O)C1 13060942 JEKQVOOOSBRAGX-ZDUSSCGKSA-N 371.890 0.765 0 40 FCAB Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2cc(NS(C)(=O)=O)ccc21 13720217 ZLRXOZWVAPXYFM-AWEZNQCLSA-N 366.443 0.783 0 40 FCAB COc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)N(C)C 13941790 BWZNBBWRDFKBRQ-UHFFFAOYSA-N 371.459 0.008 0 40 FCAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCN(c2ncccn2)CC1 24607573 GAMDKFDOLHMRHM-INIZCTEOSA-N 364.413 0.596 0 40 FCAB O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1cnc2ncccc2c1=O 25227542 CQJXYQSOMQJVGU-NSHDSACASA-N 350.334 0.449 0 40 FCAB CCOCCCN1C(=O)C(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O 32721632 VGFLDUONIRBXGO-UHFFFAOYSA-N 363.370 0.851 0 40 FCAB C[C@]1(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)CCS(=O)(=O)C1 36068446 ABXRPGRDTPOBQE-RDJZCZTQSA-N 370.446 0.892 0 40 FCAB C[C@H]1CN(CCNC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)C[C@H](C)O1 40153481 YQYOXMDKNQJNMT-RYUDHWBXSA-N 371.459 0.559 0 40 FCAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)C1 53478022 FTORHZGCIZPECW-HOCLYGCPSA-N 358.442 0.787 0 40 FCAB COc1nc(NCC(=O)NC(C)(C)C)nc(NCC(=O)NC(C)(C)C)n1 72312189 QUFKWPNAMLAEPC-UHFFFAOYSA-N 367.454 0.533 0 40 FCAB O=C(O)Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 95940926 NQSWFRALGFJKHJ-UHFFFAOYSA-N 360.347 0.998 0 40 FCAB CC(C)n1cc(Br)cc1C(=O)NS(=O)(=O)CC(N)=O 96013336 NENVYHBWONHJIU-UHFFFAOYSA-N 352.210 0.376 0 40 FCAB CC(C)NC(=O)N1CCOC[C@]2(CC[C@@H](Cn3ncccc3=O)O2)C1 96063534 QCDKPRFWHGAIKD-YOEHRIQHSA-N 350.419 0.611 0 40 FCAB CCS(=O)(=O)N[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2 96216340 DHOMZAACXKWNMR-CYBMUJFWSA-N 358.439 0.931 0 40 FCAB CC(=O)N1CCN(c2c(NC[C@@H]3COc4ccccc4O3)c(=O)c2=O)CC1 101442264 IHEGZRPOSFHUPM-CYBMUJFWSA-N 371.393 0.203 0 40 FCAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2C=CS(=O)(=O)C2)c1 106012364 VOSYLNMMGBMOGP-QMMMGPOBSA-N 351.789 0.627 0 40 FCAB CS(=O)(=O)N1CC[C@H](CNC(=O)NCc2cn3ccccc3n2)C1 124885642 QZEKBCBTUBVKRF-GFCCVEGCSA-N 351.432 0.415 0 40 FCAB O=C(N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O)C1CCCC1 225498388 PIHVIUJCYHZXSO-AHCXZYCDSA-N 371.441 0.757 0 40 FCAB biogenic,in-vitro Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H]2CCOC2)CC1 238965368 YXDAARHZZJAYEY-AWEZNQCLSA-N 370.475 0.296 0 40 FCAB Cc1cn([C@H]2C[C@H](CN[C@H](C)c3ccccc3)[C@H](O)[C@H]2O)c(=O)nc1O 257256757 KMTKPWFRGBTCLC-ZUOZUFPHSA-N 359.426 0.891 0 40 FCAB CN(C)C(=O)[C@H]1CN(Cc2cnn(-c3ccccc3C(=O)O)c2)CCO1 257295015 QWPMUEYYKRWSAL-MRXNPFEDSA-N 358.398 0.860 0 40 FCAB Cc1cc(-c2cc(C[C@H]3CCN(S(=O)(=O)N(C)C)C3)ncn2)[nH]n1 257318181 VMURLUDPAYPNDI-GFCCVEGCSA-N 350.448 0.846 0 40 FCAB CN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ncccn1 332563743 YEPMRJKSHIESNY-UHFFFAOYSA-N 362.411 0.774 0 40 FCAB C[C@H](Oc1ccccc1F)C(=O)N1CCC(N2C(=O)COCC2=O)CC1 575607879 KRYGTPRJCCGQTM-LBPRGKRZSA-N 364.373 0.969 0 40 FCAB O=C(N[C@@H](c1ccccc1)c1nn[nH]n1)[C@@H]1OCC[C@@H]1Cn1ccnc1 621709259 POGWRBNZVAGFHM-QLFBSQMISA-N 353.386 0.707 0 40 FCAB Cc1nnc(N2CCN(CC(=O)Nc3nc4c(s3)CCC4)CC2)n1C 639978129 YOAVIIYWEPMYRN-UHFFFAOYSA-N 361.475 0.829 0 40 FCAB CC(C)N1C[C@@]2(COCC1=O)CN(C(=O)c1ccn(C(C)C)n1)CCO2 2037985219 BSGKRZUBDYMPBL-GOSISDBHSA-N 364.446 0.942 0 40 FCAB CN1Cc2ncc(-c3cnn(C)c3)n2C[C@@]12CCN(C(=O)[C@@H]1CCOC1)C2 2055773043 OKCHATUBERSYNP-KUHUBIRLSA-N 370.457 0.737 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc3ncccc23)n(C)c1=O 6025442 STTMCIYLKLRLDT-UHFFFAOYSA-N 364.365 0.621 0 40 FCAB CCCn1c(=O)c2c(nc3n2C[C@H](O)CN3c2ccccc2)n(C)c1=O 6241276 LWQCIPGGRJFHTG-CYBMUJFWSA-N 355.398 0.819 0 40 FCAB CC[C@H](C)NC(=O)C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 9039800 KMIRRZQRNMPJKP-VIFPVBQESA-N 358.402 0.606 0 40 FCAB CCCOc1ccnc2c1c(=O)n(CC(=O)NC1CCCC1)c(=O)n2C 9571977 JQANZYNMFCPDRJ-UHFFFAOYSA-N 360.414 0.943 0 40 FCAB CC(=O)N1CCN(C(=O)Cn2nc3c(C)cc4ccccc4n3c2=O)CC1 12181966 JZMINWVPOUABIM-UHFFFAOYSA-N 367.409 0.648 0 40 FCAB COc1cc(C(=O)O)ccc1OCC(=O)N1CCN(c2ncccn2)CC1 13420379 QDFCGFMDXHXBNN-UHFFFAOYSA-N 372.381 0.911 0 40 FCAB CCn1nnc2c(N3CCN(CC(=O)N4CCCCC4)CC3)ncnc21 13533988 FCDIPVISOHNPDN-UHFFFAOYSA-N 358.450 0.376 0 40 FCAB COC(=O)[C@H](C)OP(=O)(O[C@@H](C)C(=O)OC)O[C@H](C)C(=O)OC 17160727 YUSSXEPQAPSKDM-XHNCKOQMSA-N 356.264 0.829 0 40 FCAB CCN(CC(=O)NCCCO)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930054 GNDVUXAEQAISFW-UHFFFAOYSA-N 364.851 0.858 0 40 FCAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccon1 23106746 LUFJCAJNUNOPMN-NSHDSACASA-N 350.400 0.864 0 40 FCAB CCC(=O)c1ccc(OCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)cc1 25032195 BERLDVVOYWSLOD-AWEZNQCLSA-N 362.382 0.548 0 40 FCAB CCCCN(C(=O)COC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 25510581 HQIYFPLEKJPOJA-UHFFFAOYSA-N 360.414 0.947 0 40 FCAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(C(=O)N(C)C)CC1 32797192 WISYYYMTVKAXSR-LLVKDONJSA-N 359.430 0.983 0 40 FCAB CCn1c(CNC(=O)Cn2cnc3c(cnn3C)c2=O)nc2ccccc21 40033577 VCJYPAJFSBRRSM-UHFFFAOYSA-N 365.397 0.816 0 40 FCAB Cn1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCCC2)cc1C(N)=O 58009424 HAFGZCSDYFMXHP-CYBMUJFWSA-N 368.459 0.290 0 40 FCAB COc1ccccc1CC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 58208555 LLQBNIHKPBXDAR-UHFFFAOYSA-N 355.460 0.578 0 40 FCAB COc1cccc(OCC(=O)N(C)CC(=O)N2CCC[C@H](C(=O)O)C2)c1 95991824 LXYASJVNSSLVPK-ZDUSSCGKSA-N 364.398 0.856 0 40 FCAB O=C1COC2(CCN(S(=O)(=O)C3CC3)CC2)CN1c1cncnc1 96074969 BISYIYCQOOEAQF-UHFFFAOYSA-N 352.416 0.167 0 40 FCAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(C(=O)C2CC2)CC1 100879896 SUBUJUBNKLQBCB-GASCZTMLSA-N 359.426 0.409 0 40 FCAB CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2N1S(C)(=O)=O 107197268 QDCJRWZSOUYDMP-YUELXQCFSA-N 355.435 0.406 0 40 FCAB O=C(O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1NCCCO 217631800 JRCBROFTNWSMBM-NSHDSACASA-N 358.416 0.636 0 40 FCAB COCCN1C(=O)CO[C@H]2CN(C(=O)Cc3sc(C)nc3C)C[C@@H]21 257234369 GTFQTMBHKXAPDI-STQMWFEESA-N 353.444 0.387 0 40 FCAB COc1cc(N2C[C@H]3OC[C@H](CNS(=O)(=O)C4CC4)[C@H]3C2)ncn1 306127022 FLUIIGMGQDUIBY-CYZMBNFOSA-N 354.432 0.018 0 40 FCAB Cc1ncc(CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)c(N)n1 577757071 JUGYMHJSPLXNPJ-JKSUJKDBSA-N 355.398 0.582 0 40 FCAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1OCCc2ccccc21 643432550 UDZYIPACZNFNRI-UONOGXRCSA-N 353.396 0.401 0 40 FCAB COCCN1CCCC2(CCN(C(=O)c3ncc(OC)cn3)CC2)C1=O 1565544773 QVNOMLTWHMMRSN-UHFFFAOYSA-N 362.430 0.976 0 40 FCAB O=C(N1CCO[C@]2(COCCN(c3ncccn3)C2)C1)C1(F)CCC1 1614928625 FPNKJZBZAOTMPR-MRXNPFEDSA-N 350.394 0.803 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(Cc5nnc(C)o5)C[C@H]4C3)nn12 2086865217 WWZCTJNKPYEPRF-STQMWFEESA-N 354.418 0.946 0 40 FCAB Cc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)[nH]c1=O 5695607 YGDVONWXVSYKCS-UHFFFAOYSA-N 365.440 0.853 0 40 FCAB CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1 8753903 JAZHNFPTADYSLD-UHFFFAOYSA-N 363.443 0.795 0 40 FCAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O 9723813 AALCRZGPYXGTMM-XIKOKIGWSA-N 359.382 0.663 0 40 FCAB Cc1nn(CC(=O)N2CCOCC2)c(=O)c2c1cnn2-c1ccc(F)cc1 12228202 YNGYVKZGYJHGCM-UHFFFAOYSA-N 371.372 0.889 0 40 FCAB O=C(NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1)c1ccco1 15082652 YBFNFEXUHULUPR-UHFFFAOYSA-N 364.749 0.721 0 40 FCAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)c(=O)n(C)c1=O 15329286 POXCXVOEFWEDLJ-SNVBAGLBSA-N 355.441 0.671 0 40 FCAB COC(=O)CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 17440397 AUCNTXDJJHSXGB-UHFFFAOYSA-N 367.452 0.996 0 40 FCAB COCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19593084 VCZJHNFRCHNPEY-CYBMUJFWSA-N 374.441 0.417 0 40 FCAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1)c1ccc(F)c(Cl)c1 20465010 VVYZTEQCBDCHPW-FXUDXRNXSA-N 372.824 0.794 0 40 FCAB biogenic,in-vitro CN(C)S(=O)(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 25205955 ZVMLBGYHQASVIE-UHFFFAOYSA-N 350.444 0.661 0 40 FCAB O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)N1CCOCC1 34895956 PHCIJHFWYRJDAH-UHFFFAOYSA-N 363.483 0.853 0 40 FCAB O=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1cc(Cl)ccc1O 36365124 PJMDOYZACBGFNW-SECBINFHSA-N 361.807 0.470 0 40 FCAB Cc1cccc(N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1C 57435574 MQFGJSPSIOLIOK-INIZCTEOSA-N 365.499 0.729 0 40 FCAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCCC(=O)O)cc2)C1=O 61993538 GFQFIPRRKGUBGD-JTQLQIEISA-N 354.384 0.594 0 40 FCAB O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 69929487 IXBHWWQCFYLATO-NEPJUHHUSA-N 371.363 0.972 0 40 FCAB O=C(NCC(=O)N1CC[C@H](CN2CCOCC2)C1)c1ccc(F)c(F)c1 76467865 RKKROHCSIKWARI-CYBMUJFWSA-N 367.396 0.875 0 40 FCAB O=S1(=O)C[C@@H](N2CCN(c3ccnc(-c4ccccc4)n3)CC2)[C@@H](O)C1 95395080 VWUUXWNAWRUZIM-CVEARBPZSA-N 374.466 0.424 0 40 FCAB CC1=NN2c3ccn(CC(=O)NCc4cccnc4)c(=O)c3C=N[C@H]2N1 96125587 BENFWLZBUMBZLW-KRWDZBQOSA-N 351.370 0.019 0 40 FCAB Cc1cc(C(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(CC(C)C)S4(=O)=O)O3)no1 96146094 BBIOENGHGPEGBB-INWMFGNUSA-N 369.443 0.637 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100745442 NGUJOKJTVRDRLD-AVGNSLFASA-N 351.428 0.164 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cncc(-c3cncn3C)n2)C1 257203808 ARSLCUMLDXHNNB-CYBMUJFWSA-N 364.475 0.938 0 40 FCAB O=C(Cn1cc(Cl)cn1)NC[C@@]1(O)CCCN(c2cnccn2)C1 257270104 MSTWEOVRUBDLHJ-HNNXBMFYSA-N 350.810 0.474 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2nccnc2-c2cc[nH]n2)C1 257314211 UVUOXQNISYUHAE-GFCCVEGCSA-N 350.448 0.928 0 40 FCAB C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)n1cncn1 548677152 HYNQUVWDOYSGBJ-AVGNSLFASA-N 362.413 0.428 0 40 FCAB Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@@H]1CNS(C)(=O)=O 585097634 OKBASDPYKUQUPK-GFCCVEGCSA-N 352.416 0.748 0 40 FCAB CNC(=O)C[C@@]1(O)COCCN(C(=O)Cc2ccc(OC)c(F)c2)C1 585280116 ALPWKSRBAALVHB-KRWDZBQOSA-N 354.378 0.103 0 40 FCAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCC3(CC1)NC(=O)NC3=O)C2 622558455 NHBANSOBBOLRIA-GFCCVEGCSA-N 359.382 0.447 0 40 FCAB CC[C@@H](C)[C@@H](C(=O)NCCn1cnc2ccccc2c1=O)n1cnnn1 1565519486 BMJVGAFUFYWKTM-DOMZBBRYSA-N 355.402 0.787 0 40 FCAB CCN(C)C(=O)c1cnn2c1CN(C(=O)CCS(C)(=O)=O)CCC2 1565546311 ZARYZBLUBAIXQX-UHFFFAOYSA-N 356.448 0.142 0 40 FCAB CN(C)S(=O)(=O)N1CCC2(CC[C@H]2NC(=O)c2cccn2C)CC1 2055798612 CKEKIIRXIBGSOM-CQSZACIVSA-N 354.476 0.806 0 40 FCAB CCn1c(O)nc2c(N3CCN(S(=O)(=O)C4CC4)CC3)ncnc21 2086861553 ZLCGDMTZRBDYGV-UHFFFAOYSA-N 352.420 0.166 0 40 FCAB O=C1C(=O)N(CC(O)CN2C(=O)C(=O)c3ccccc32)c2ccccc21 2479145 SXMXQHXDAWONQL-UHFFFAOYSA-N 350.330 0.806 0 40 FCAB biogenic CC(C)CN(C(=O)CCC(=O)O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3284936 HJAMRPQPGBHWJT-UHFFFAOYSA-N 354.407 0.629 0 40 FCAB NS(=O)(=O)c1ccc(-n2c(=O)[nH]c3ccc(Cl)cc3c2=O)cc1 5387499 MJPPNXNKQFUOHO-UHFFFAOYSA-N 351.771 0.980 0 40 FCAB COC(=O)c1ccc(COC(=O)CN2C(=O)NC3(CCCC3)C2=O)o1 5874508 BYEXHLKPARIHHP-UHFFFAOYSA-N 350.327 0.974 0 40 FCAB CC(C)CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 14114194 JSLSLPIAVUMJGM-CYBMUJFWSA-N 374.484 0.538 0 40 FCAB COc1cc2[nH]c3c(=O)n(CCN4CCNCC4)cnc3c2cc1OC 19371748 TVGBUXZEKFGOQP-UHFFFAOYSA-N 357.414 0.800 0 40 FCAB Cn1ncc2c(N3CCN(C(=O)c4ccc5[nH]nnc5c4)CC3)ncnc21 23462665 JTPSHRJZTNNNGV-UHFFFAOYSA-N 363.385 0.597 0 40 FCAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCCCO 33777631 LZUAXNHSGAGADB-UHFFFAOYSA-N 358.460 0.807 0 40 FCAB C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 52634708 ZDCMJTIRCCSCSN-CABCVRRESA-N 351.472 0.500 0 40 FCAB Cc1cccc(NC(=O)c2cc(OCC(=O)N3CCOCC3)n(C)n2)n1 57312479 NZMLQLWASZUSQG-UHFFFAOYSA-N 359.386 0.613 0 40 FCAB CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 67861961 IDTXSFPIBIAYDW-QGZVFWFLSA-N 373.453 0.537 0 40 FCAB Cc1cc(C(=O)N2CC(C(=O)N3CCN(c4ccccn4)CC3)C2)no1 70811332 HQVOEBXSEKKWOU-UHFFFAOYSA-N 355.398 0.799 0 40 FCAB COCC(=O)N[C@H]1COCCC12CCN(c1cc(OC)ncn1)CC2 96219801 XXQFZZKJIOADHF-ZDUSSCGKSA-N 350.419 0.623 0 40 FCAB COc1ccc2c(ccn2CC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c1 98038009 XZXOAEZZMLZWPJ-ZDUSSCGKSA-N 362.386 0.668 0 40 FCAB CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)nn(CC(N)=O)c1=O 225964339 AVOPLOCBVGIILD-UHFFFAOYSA-N 361.354 0.590 0 40 FCAB CC(=O)NC1CCN(C[C@@]2(O)CCCN(C(=O)C(C)(C)N)CC2)CC1 257264555 LUZSOLPODQATHY-GOSISDBHSA-N 354.495 0.068 0 40 FCAB COc1ncccc1C(=O)N(C)C[C@]1(O)CCCN(c2cnccn2)C1 257289827 QAIPHWBRSWYCJX-GOSISDBHSA-N 357.414 0.984 0 40 FCAB NC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1 409137985 XYNBVTLKYBOCDH-UHFFFAOYSA-N 351.359 0.842 0 40 FCAB O=C(Cc1ccc(-n2cnnc2)cc1)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 644069285 PFBSOBONMBTVAS-KSZLIROESA-N 355.442 0.914 0 40 FCAB COc1ccccc1CNC(=O)C(=O)NC[C@@]1(OCCO)CCSC1 1565519726 NEENIWVORGHTJI-KRWDZBQOSA-N 368.455 0.312 0 40 FCAB O=C(Nc1ccccc1)[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)Cc2ncnn2C1 1565545349 DISOVFDVEWYZAS-UTXMOHQDSA-N 367.409 0.768 0 40 FCAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)[C@@H]2CCOC2)Cc2ncnn2C1 1565546550 GNUIHWJGDYSBTK-HZPDHXFCSA-N 369.425 0.589 0 40 FCAB CC(C)N1C[C@H]2[C@H]3C[C@@H](CN(C(=O)c4csnn4)C3)[C@H]2S1(=O)=O 1565550206 UPJQEGOJUNHFDU-MRBYEJRBSA-N 356.473 0.669 0 40 FCAB Cn1cnc2ncnc(N3C[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]4C3)c21 1888909635 RHGNWXZIPTXJKG-ZIAGYGMSSA-N 362.393 0.985 0 40 FCAB Cc1ccc(CC(=O)N2CCO[C@]3(COCC(=O)N(C(C)C)C3)C2)cn1 2037985757 VHVOGECSHYYNOX-LJQANCHMSA-N 361.442 0.797 0 40 FCAB O=C(C1CCCC1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 2332243236 UKNINIDCUOWBOV-AWEZNQCLSA-N 371.434 0.607 0 40 FCAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)O)C(=O)O 1579831 JMDKBDALNFZTOV-CMPLNLGQSA-N 352.343 0.736 0 40 FCAB OC[C@@H]1O[C@@H](Oc2c[nH]c3ccc(Br)cc23)[C@H](O)[C@H](O)[C@@H]1O 4534182 LINMATFDVHBYOS-RYMFRWLXSA-N 374.187 0.109 0 40 FCAB in-vitro CNC(=O)NC(=O)COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 21328869 NZGNBDDTTAMBKM-UHFFFAOYSA-N 360.370 0.402 0 40 FCAB CSc1nc2nc(C)c(CC(=O)N[C@@H]3CCCCNC3=O)c(C)n2n1 40146130 KTLKDCFAPLWIFE-GFCCVEGCSA-N 362.459 0.790 0 40 FCAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc2c1OCCO2 58324210 MONLAHRHVVNYGU-AWEZNQCLSA-N 368.455 0.583 0 40 FCAB NS(=O)(=O)CCCN1CCN(CCOc2ccc3c(c2)CCC3)CC1 69861470 WFYLCMCVOPXHPB-UHFFFAOYSA-N 367.515 0.850 0 40 FCAB CN(C)c1ccc(CNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)cn1 96005174 OLPKTCISDIYBQT-UHFFFAOYSA-N 366.487 0.968 0 40 FCAB CN(CC(N)=O)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 96005198 PKRYLYRCJWDASQ-CYBMUJFWSA-N 373.862 0.692 0 40 FCAB Cn1cc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)cc1C(N)=O 97015842 IUSYBHSXPZMGRZ-LBPRGKRZSA-N 350.400 0.361 0 40 FCAB COC(=O)C1=NN[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 100061773 JFTSJZNBEXVZNC-BDAKNGLRSA-N 352.144 0.439 0 40 FCAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)COC)cc1 408600850 CVGKBCAGLHRMGZ-GFCCVEGCSA-N 360.432 0.141 0 40 FCAB CN(C)S(=O)(=O)N1CCC(CNC(=O)COCc2ccccc2)CC1 575614866 ANISTYWKFBVFHM-UHFFFAOYSA-N 369.487 0.838 0 40 FCAB COc1nc(C)ccc1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 679105842 WAWPUDHRHGIKJQ-AWEZNQCLSA-N 362.430 0.062 0 40 FCAB Cc1ccc(OCC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nn1 1775965538 CBEHEVBECOTNHG-UHFFFAOYSA-N 351.432 0.998 0 40 FCAB Cc1nc2ncnn2c(N2CC(CN(C)S(=O)(=O)C3CC3)C2)c1C 1888859975 FNOPAQQOSSZOON-UHFFFAOYSA-N 350.448 0.601 0 40 FCAB O=C(c1cnccn1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055773029 MNFABUONAOKYHH-UHFFFAOYSA-N 354.414 0.831 0 40 FCAB Cn1c(=O)c2c(nc3n(CCO)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 2417309 GQAUXJGJDBCCTF-UHFFFAOYSA-N 373.800 0.999 0 40 FCAB CCn1ncc(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@@H]23)c1C 2747768 FIUJGVUMNGDCKC-YGRLFVJLSA-N 350.400 0.584 0 40 FCAB biogenic,in-vitro Cn1c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1 6140051 BNVJKRVKGIZHGA-LBPRGKRZSA-N 366.468 0.878 0 40 FCAB O=C(CNC(=O)c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O 6993148 ICPXLYSUGIGBII-UHFFFAOYSA-N 350.400 0.764 0 40 FCAB COC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O 8050535 SDXNTPXNCKMYNC-UHFFFAOYSA-N 353.400 0.423 0 40 FCAB CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCCCC1 11689628 IPHJWXUNLFRSPA-UHFFFAOYSA-N 367.427 0.857 0 40 FCAB COc1ccc(CC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1OC 24777430 NKTLKWJYFCHEMF-UHFFFAOYSA-N 356.444 0.740 0 40 FCAB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCO)cc1 35225420 LJHJNYLZPMBAJJ-UHFFFAOYSA-N 353.382 0.654 0 40 FCAB O=C(CNC(=O)N[C@H]1CCS(=O)(=O)C1)NCc1ccccc1Cl 36366848 AYCFDUZBGSYKMQ-NSHDSACASA-N 359.835 0.443 0 40 FCAB CN(C)S(=O)(=O)N1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1 40105813 QGBRDNOKNRMCOX-UHFFFAOYSA-N 369.422 0.800 0 40 FCAB NC(=O)NC[C@@H]1CCCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 48278960 WKLLMCXUILDOJY-ZDUSSCGKSA-N 370.475 0.944 0 40 FCAB O=C(c1cc(Cl)ccc1F)N1CCN(CC(=O)N2CCNC2=O)CC1 52822918 KEARJKQWVADXCP-UHFFFAOYSA-N 368.796 0.789 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCN2CCOCC2)cc1 58046756 XQASVROMMLNRTN-HNNXBMFYSA-N 369.487 0.500 0 40 FCAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 58421541 HXDMVVOKWJJTBM-LSDHHAIUSA-N 368.441 0.965 0 40 FCAB O=C(CNC(=O)N1CCN(c2ncccn2)CC1)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 72400625 ALDGCRXKXYUJFW-PMPSAXMXSA-N 370.457 0.637 0 40 FCAB CC1(C)CC(NC(=O)C(=O)NCCCN2CCOCC2)CC(C)(C)N1 170369905 CYGLQBGNVAUVBF-UHFFFAOYSA-N 354.495 0.250 0 40 FCAB O=C1CCCN1Cc1cn(C2CN(S(=O)(=O)c3cccnc3)C2)nn1 225633176 WMOCZWCXLGDEHR-UHFFFAOYSA-N 362.415 0.041 0 40 FCAB O=C(Cn1ncccc1=O)NC1CCN(c2ncnc3c2CCCC3)CC1 225736324 VUGGQCIIJOKSRD-UHFFFAOYSA-N 368.441 0.697 0 40 FCAB CN(C)c1nccnc1[C@H]1CN(C(=O)CCn2ccccc2=O)CCO1 257200478 ADNAAYXTXUYTBB-CQSZACIVSA-N 357.414 0.695 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)N(C)C[C@@]1(O)CCN(c2ncccn2)C1 257272534 NCTGPQYLMVLUTC-SFHVURJKSA-N 358.446 0.469 0 40 FCAB O=C(Cc1ccc(O)cc1)NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 509857840 GCXGLOQIOZSVNF-UHFFFAOYSA-N 352.354 0.870 0 40 FCAB COc1c2c(c(CNC(=O)[C@H]3CCCO3)c3c1C(=O)N(C)CC3)OCO2 604405157 XMLFLALECBIJLA-GFCCVEGCSA-N 362.382 0.847 0 40 FCAB biogenic Cc1nnc2ccc(N3CCN(c4ncnc5ncn(C)c45)CC3)nn12 1888917931 XABIUBJIKKDOQZ-UHFFFAOYSA-N 350.390 0.436 0 40 FCAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O 3600367 UQJWOXWSSKKQBP-INIZCTEOSA-N 351.790 0.966 0 40 FCAB NC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 5351794 UBGXMSDAGUUGQB-CQSZACIVSA-N 361.398 0.916 0 40 FCAB CSCC[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)O 9319196 GZBCAUYLMFDKNK-NSHDSACASA-N 351.384 0.012 0 40 FCAB biogenic O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 11660854 PCZJKIDDWWPBLT-CYBMUJFWSA-N 352.412 0.890 0 40 FCAB Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)no1 11904115 VAZFZIMNAUEJMS-UHFFFAOYSA-N 371.396 0.850 0 40 FCAB CN1C[C@H](C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)CC1=O 12225319 GAUHMTLNNNZDTC-CYBMUJFWSA-N 357.410 0.648 0 40 FCAB CS(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)c(S(C)(=O)=O)c1 12596506 IWKDKFCIWPSIDV-UHFFFAOYSA-N 360.457 0.195 0 40 FCAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCN(c2ncccn2)CC1 12694364 XHJVTFCEVYBLKO-MRXNPFEDSA-N 366.425 0.719 0 40 FCAB CN1C(=O)[C@H](NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 13629309 SPNWWGZMRWWLPZ-MRXNPFEDSA-N 367.361 0.865 0 40 FCAB O=C(CCNC(=O)Cc1n[nH]c(=O)c2ccccc12)NCc1ccco1 13719060 WCWXSYCANBBLAE-UHFFFAOYSA-N 354.366 0.881 0 40 FCAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 13817225 ZFDBZXPQOJXOOC-UHFFFAOYSA-N 355.398 0.739 0 40 FCAB CN(CCOc1ccccc1)CC(=O)N1CCN(S(C)(=O)=O)CC1 14185575 BQFNDJBBNNYRTR-UHFFFAOYSA-N 355.460 0.101 0 40 FCAB Cc1cnc2c(C(=O)N3CCO[C@@H](C(=O)NC4CCCC4)C3)cnn2c1 19747757 GFQFMCZSYGRPGD-OAHLLOKOSA-N 357.414 0.938 0 40 FCAB Cc1nonc1CN(C)C(=O)c1cccn(CC(=O)NC2CCCC2)c1=O 19750121 OMHSWLGEGFGXJE-UHFFFAOYSA-N 373.413 0.871 0 40 FCAB CCOC(=O)c1nnn(-c2nonc2N)c1CNC[C@H](O)c1ccccc1 19818593 NUANRESMDNFNNS-LBPRGKRZSA-N 373.373 0.232 0 40 FCAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC(c2nnc(C3CC3)o2)CC1 38518660 NLAGQVNTXVMWCC-UHFFFAOYSA-N 359.386 0.593 0 40 FCAB CC(C)n1nccc1NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 40159723 BRVPZTOYSBQAAM-UHFFFAOYSA-N 373.417 0.630 0 40 FCAB O=C(NCc1ccc(-n2cncn2)nc1)c1cnc2n(c1=O)CCS2 46714208 PZXKQSUVQYUAPE-UHFFFAOYSA-N 355.383 0.255 0 40 FCAB Cn1cc(C(=O)N2CCC[C@@H](c3nn(C)c(=O)n3-c3ccccc3)C2)nn1 75165282 NBMIIZHRONKVSF-CYBMUJFWSA-N 367.413 0.719 0 40 FCAB COc1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc1F 83957103 YOTBLGDQJBTUAL-UHFFFAOYSA-N 351.256 0.568 0 40 FCAB Cc1nocc1C(=O)N1CCO[C@@]2(COCCN(c3ncccn3)C2)C1 96076695 ZTZNIGFXCRSNAU-KRWDZBQOSA-N 359.386 0.521 0 40 FCAB O=C(Cn1cnnn1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 97513014 GDHCOSQXUWLPHY-UHFFFAOYSA-N 356.411 0.872 0 40 FCAB Cc1ccc(C(=O)N2CCO[C@H](c3nccnc3N(C)C)C2)c(=O)n1C 257282601 OULNQTHUMGGMSX-AWEZNQCLSA-N 357.414 0.763 0 40 FCAB CNC(=O)c1ccc(CS(=O)(=O)N2CCN(C[C@H](C)O)C[C@H]2C)cc1 289125676 KWVVDJSLWHEROQ-KGLIPLIRSA-N 369.487 0.263 0 40 FCAB O=C1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)CN1 373624195 HXUSOZSKGQKIKZ-MFKMUULPSA-N 371.315 0.721 0 40 FCAB COCCNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1C 408618333 FMHLWOBWDGYTSD-CYBMUJFWSA-N 356.444 0.829 0 40 FCAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CC(Nc2cccnn2)C1 585148930 LIEHPBFRQWJNSR-UHFFFAOYSA-N 356.411 1.147 0 40 FCAB NC(=O)C1(C(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)CC1 647015854 WMPMBLWUGCYGFN-SNVBAGLBSA-N 352.188 0.546 0 40 FCAB C[C@H](Cc1ccccc1)C(=O)NC[C@]1(c2nccn2C)NC(=O)NC1=O 1616035209 RCOACFJQVHOMLH-KZULUSFZSA-N 355.398 0.450 0 40 FCAB O=C(COC(=O)CCc1c[nH]c2ccccc12)N[C@@H]1CCS(=O)(=O)C1 3420212 DBSIDKMQRGUMDX-CYBMUJFWSA-N 364.423 0.947 0 40 FCAB COC(=O)Cn1c(Nc2ccc(OC)cc2)nc2c1c(=O)[nH]c(=O)n2C 4370696 VMWINYOSTWVDHG-UHFFFAOYSA-N 359.342 0.349 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCO)C2)cc1C 5000381 BWYQNVIKGBJNAG-AWEZNQCLSA-N 370.471 0.903 0 40 FCAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCCC2)C1=O 7560452 VYEFVRUKRDUXPV-SFHVURJKSA-N 359.382 0.891 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C 8249966 OMXURZBEJSMMKI-LLVKDONJSA-N 370.479 0.707 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)N1Cc2ccccc2OC2(CCOCC2)C1 12121790 AZJJCWAHYRKULB-UHFFFAOYSA-N 371.393 0.507 0 40 FCAB O=C(c1c[nH]c(=O)[nH]c1=O)N1CCN(Cc2ccc(Cl)s2)CC1 23642168 MJIRWMVBYLBCOB-UHFFFAOYSA-N 354.819 0.736 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)NCC(=O)NC1CCCCCC1 36365870 NEIKLPFBVIRAQS-UHFFFAOYSA-N 357.414 0.747 0 40 FCAB C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(=O)N(C)C 40121202 HUXFDBFJHSCCJW-JSGCOSHPSA-N 353.444 0.433 0 40 FCAB CN(CC(=O)N[C@@H]1CCCCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 40146132 FLQJFGVIIFQBQH-CYBMUJFWSA-N 373.862 0.745 0 40 FCAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 45865916 WHUMWMKSOZDLPG-UHFFFAOYSA-N 354.409 0.990 0 40 FCAB O=C(CCN1CCC(N2CCNC2=O)CC1)NC(=O)NCc1ccccc1 52217126 MOKXDXTYPSKZBB-UHFFFAOYSA-N 373.457 0.892 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCC2)s1 58209227 CQSNDHLSFCWSIJ-SNVBAGLBSA-N 359.473 0.673 0 40 FCAB CCN(CC)C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 72067944 VZVXMPITFAISNI-UHFFFAOYSA-N 355.416 0.713 0 40 FCAB O=C(c1cccnc1)N1CCCn2c(nc(Cn3ccnc3)cc2=O)C1 96197581 ORGWBESXNARXCI-UHFFFAOYSA-N 350.382 0.929 0 40 FCAB CCn1nc(C)c(CNC(=O)C(=O)N[C@H]2C(=O)N(C)c3ccccc32)c1C 96834546 YQMXGSNQKPYPPQ-MRXNPFEDSA-N 369.425 0.970 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]12 101163416 MSCKYIVSYZPZJI-UKRRQHHQSA-N 373.365 0.725 0 40 FCAB CC1=NN(c2ccc(F)cc2)C(=O)[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 101901851 XCQJWLDFLCEWMB-YPMHNXCESA-N 353.375 0.468 0 40 FCAB CN(C)C(=O)[C@@H]1CN(C(=O)c2ccccc2Cn2cccn2)CCN1C 257263105 LOKJSHHAQYUCSQ-KRWDZBQOSA-N 355.442 0.776 0 40 FCAB COc1ncccc1CN1C[C@H]2OC[C@H](CNS(=O)(=O)C3CC3)[C@H]2C1 306130549 JJFYDYOVJKKMTG-NUEKZKHPSA-N 367.471 0.619 0 40 FCAB COc1ncc(Cl)c(NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)n1 581444530 APQLTSDGPXLERH-JOYOIKCWSA-N 350.810 1.504 0 40 FCAB COCCN(C)c1cnn([C@@H]2CCCN(CCn3ccnc3)C2)c(=O)c1 583619556 PXQZDKOHNRIBGZ-MRXNPFEDSA-N 360.462 0.860 0 40 FCAB O=C(NC1CCC1)c1nnc2n1CCN1CCN(C(=O)c3cc[nH]c3)C[C@@H]21 585109890 IARNMHVJCWWONP-AWEZNQCLSA-N 369.429 0.401 0 40 FCAB Cn1ccc(CC(=O)N2CCOC[C@@H]2c2nccc(N3CCOCC3)n2)n1 585113163 SXVBKISGQDKLMU-OAHLLOKOSA-N 372.429 0.189 0 40 FCAB NC(=O)CN1CCCC[C@H]2CN(C(=O)/C=C/CN3CCOCC3)CC[C@H]21 585291185 MYIUHQKPVHRPEN-KCCJJVRFSA-N 364.490 0.063 0 40 FCAB Cc1nc(N2CCO[C@@H](C(=O)N3CCOCC3)C2)cc(C(F)(F)F)n1 1889102964 RSVLBPFNOMBDIR-LLVKDONJSA-N 360.336 0.868 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(Cc2cc(C)nn2C)CC1 2055782083 IPOOMVIGZLWQHR-UHFFFAOYSA-N 360.462 0.679 0 40 FCAB O=C(Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@@H](CO)O1)c1ccccc1 644884 PIXHJAPVPCVZSV-JHJVBQTASA-N 355.354 0.719 0 40 FCAB COC(=O)[C@H](C)OP(=O)(O[C@H](C)C(=O)OC)O[C@H](C)C(=O)OC 1599052 YUSSXEPQAPSKDM-HLTSFMKQSA-N 356.264 0.829 0 40 FCAB COc1cc([C@H](O)[C@]2(c3ccc(O)c(OC)c3)NC(=O)NC2=O)ccc1O 1681735 DPSIXARYQVDMII-YJBOKZPZSA-N 374.349 0.883 0 40 FCAB COc1cccc(O[C@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@H](O)[C@H]2NC(C)=O)c1 4559905 KKDNZDNZSHFBCX-MTSZKFMLSA-N 367.398 0.816 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cccc(F)c2)cc1 4583718 GCMARCDDFVQFFC-UHFFFAOYSA-N 365.386 0.771 0 40 FCAB C[C@H]1CCc2sc3c(c2C1)c(=O)n(CC(=O)O)c(=O)n3CCN(C)C 6759679 HRKXRZAAMWQZPD-JTQLQIEISA-N 365.455 0.996 0 40 FCAB Cn1c(Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc(=O)n(C)c1=O 10498290 CAGADRFRTNALTF-UHFFFAOYSA-N 364.365 0.028 0 40 FCAB OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@H](N2CCOCC2)[C@@H]1O 20464820 OJZZOFBTOMSNDT-LTIDMASMSA-N 356.850 0.251 0 40 FCAB biogenic,in-vitro CC1(C)NC(=O)N(CC(=O)OCC(=O)NCCCc2ccccc2)C1=O 20854370 ORTHZMIDKIPWOA-UHFFFAOYSA-N 361.398 0.609 0 40 FCAB CCc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 31248180 USYZHONVGHAGQB-UHFFFAOYSA-N 367.471 0.584 0 40 FCAB CN1C(=O)N[C@@H](c2cccs2)C2=C1CN(CCN1CCOCC1)C2=O 35474828 NPJUJYUPOJCMQG-HNNXBMFYSA-N 362.455 0.873 0 40 FCAB CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccco1 36359478 WIEKTDQJZUIRQL-YPMHNXCESA-N 357.432 0.407 0 40 FCAB Cn1cccc(C(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)c1=O 44003577 AGKYNSGGDMXXQU-UHFFFAOYSA-N 353.444 0.319 0 40 FCAB CC(C)COCCC(=O)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 58213052 DEAGQROUKUEVOL-UHFFFAOYSA-N 362.386 0.746 0 40 FCAB O=C(O)CNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 61718312 HOFONTUYTMNYBA-UHFFFAOYSA-N 366.171 0.874 0 40 FCAB C[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)C(=O)N1CCS(=O)(=O)CC1 67278285 JBICVKNSMOQCBS-CYBMUJFWSA-N 364.467 0.480 0 40 FCAB CC(=O)c1ccc(N2CCN(C(=O)C3CN(S(C)(=O)=O)C3)CC2)cc1 70817754 UUEIZKXEFPKUQU-UHFFFAOYSA-N 365.455 0.429 0 40 FCAB CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 78062248 LWTIOHAEMYSEDG-SJORKVTESA-N 366.483 0.923 0 40 FCAB CN(CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)S(C)(=O)=O 95446970 ZWFAAKFCVCNLHB-MRXNPFEDSA-N 351.428 0.791 0 40 FCAB O=C(O)/C=C/c1ccc(NC(=O)CS(=O)(=O)NC[C@@H]2CCCO2)cc1 95970401 YFYJPPWUIRIZKH-GPAKFWEMSA-N 368.411 0.821 0 40 FCAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NN2CC(=O)N(C)C2=O)c1 96006723 PWKCQRGSHYBABL-UHFFFAOYSA-N 361.763 0.214 0 40 FCAB O=C(NCCO)C(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21 101439488 PZLNFNWKWHPCGU-MRXNPFEDSA-N 353.378 0.499 0 40 FCAB Cn1cncc1CN1CCOC[C@@]2(C[C@@H](CNc3ncccn3)CO2)C1 107243656 FTBQGUBZZMAKGK-MAUKXSAKSA-N 358.446 0.930 0 40 FCAB COc1ccc(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)cc1 224221699 ZXEMBGFQLVBEAK-UHFFFAOYSA-N 364.427 0.800 0 40 FCAB COc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCO2)cc1OC 244279951 WTMLYVCHGHUOQU-LLVKDONJSA-N 358.416 0.277 0 40 FCAB CC(=O)NCc1cnn(-c2ccccc2C(=O)N2CCN(C(C)=O)CC2)c1 257226961 FMZQMRAKPCXHRR-UHFFFAOYSA-N 369.425 0.813 0 40 FCAB CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)c3cncs3)C2)CC1 257304843 SNJONHDTGCNRPB-INIZCTEOSA-N 352.460 0.321 0 40 FCAB CCn1ncc(S(=O)(=O)N2CC[C@@H]3OCC(=O)N(C)[C@H]3CC2)c1C 257317919 VLSNDFDDDIZPHF-STQMWFEESA-N 356.448 0.222 0 40 FCAB O=C(C1CC1)N1CC[C@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 306138161 RRJIBZYPMPLLQI-SFHVURJKSA-N 372.450 0.799 0 40 FCAB O=C(NCc1cccnc1)C1=NO[C@]2(CCCN(C(=O)C3CC(O)C3)C2)C1 585101315 XLJQROBXRWQLMS-JFIBYHEFSA-N 372.425 0.606 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN([C@H]2CCOC2)CC1 618256242 PRDMWVGBJVJOQC-HNNXBMFYSA-N 356.492 0.816 0 40 FCAB COCc1n[nH]c(CNC(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)n1 664395049 JDNQMAFOCOZLGZ-NSHDSACASA-N 374.401 0.564 0 40 FCAB CCN1C(=O)C[C@H](C(=O)NCc2cn(C)nc2OC)[C@H]1c1nccn1CC 1615549813 RZDFANQJQHJBNQ-ZFWWWQNUSA-N 374.445 0.871 0 40 FCAB COc1cc(CC(=O)N[C@H](CO)[C@H](O)c2ccccn2)cc(OC)c1O 1643485479 VNOUGATZSKCFEM-CXAGYDPISA-N 362.382 0.558 0 40 FCAB Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 4216929 OOEMZCZWZXHBKW-SCFUHWHPSA-N 371.397 0.358 0 40 FCAB biogenic,in-man CC(=O)c1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OCC(N)=O)CO[C@H]23)cc1 4222753 YPMKLNKMFIUZED-SJXGUFTOSA-N 363.370 0.047 0 40 FCAB biogenic,in-vitro COC(=O)N[C@@](NS(=O)(=O)c1ccccc1)(C(=O)OC)C(F)(F)F 4336777 FIXMRODUFNLJNT-LLVKDONJSA-N 370.305 0.753 0 40 FCAB NS(=O)(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 5517232 OLTGIDHUAQIZQG-UHFFFAOYSA-N 358.379 0.683 0 40 FCAB C[C@@H](O)CNC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 6295061 UBFMFZPUWSJVFT-SNVBAGLBSA-N 359.411 0.698 0 40 FCAB COc1cccc(/C=C/C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 7506770 UHRNFNXITIPUGP-GFUIURDCSA-N 353.396 0.555 0 40 FCAB CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(OC(F)F)cc2)C1=O 8207095 XXXAUIUVHCZQOQ-UHFFFAOYSA-N 369.324 0.757 0 40 FCAB NC(=O)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 8429487 OKSRQBGJTMMUOF-UHFFFAOYSA-N 354.432 0.858 0 40 FCAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)NC[C@@H]2CCCO2)s1 8474644 JMLLRBHGXBFZME-JTQLQIEISA-N 356.404 0.404 0 40 FCAB O=C(Cn1c(=O)[nH]c2sc3c(c2c1=O)CCCC3)NC[C@H]1CCCO1 9136489 NEPVYCGSLIQKBF-SNVBAGLBSA-N 363.439 0.925 0 40 FCAB O=C(CSc1nnnn1C[C@@H]1CCCO1)NC(=O)c1cccs1 9366584 JZGRNIRQCWGTAM-VIFPVBQESA-N 353.429 0.962 0 40 FCAB NS(=O)(=O)c1cccc(NC(=O)Cn2nnc(-c3cccs3)n2)c1 9819139 CCYGLIKAAVQHDL-UHFFFAOYSA-N 364.412 0.688 0 40 FCAB COc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1N1CCCC1=O 20106727 ZPTPBLZSTIIXRC-UHFFFAOYSA-N 367.427 0.285 0 40 FCAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCCN2CCCCC2)c2ccccc21 20624206 CVFSAANNHWHTBF-INIZCTEOSA-N 358.442 0.813 0 40 FCAB c1cn(CCCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1 28218653 HTCLZDLLGYETKE-UHFFFAOYSA-N 374.449 0.244 0 40 FCAB C[C@H](C(=O)N1CCc2ccccc21)S(=O)(=O)Cc1nnnn1C1CC1 40106218 ZAXDWYJHRXSZJX-LLVKDONJSA-N 361.427 0.901 0 40 FCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)o1 40154120 XNGWZTLWRCSQJP-UHFFFAOYSA-N 364.427 0.323 0 40 FCAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)CN2CCOCC2)c1=O 47161783 JQBOOKARZXYQTC-CQSZACIVSA-N 374.441 0.020 0 40 FCAB CCn1cc(S(=O)(=O)N2CCCN(c3nccc(OC)n3)CC2)cn1 66916832 PVECGJLYOSRRDL-UHFFFAOYSA-N 366.447 0.603 0 40 FCAB CS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c1 72286221 NWPZFPQRZJEBLN-CQSZACIVSA-N 352.456 0.884 0 40 FCAB COc1coc(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1=O 72405893 GFXKGGOXUWMWBU-JTQLQIEISA-N 367.383 0.765 0 40 FCAB COc1cccc(N2CC[C@H](CNC(=O)NCCS(C)(=O)=O)C2)c1 75582393 NAEXZRHYVFGMTG-CYBMUJFWSA-N 355.460 0.865 0 40 FCAB C/C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 82077303 BCJMNZRQJAVDLD-HRJZAWQOSA-N 351.399 0.165 0 40 FCAB NC(=O)[C@H]1CC(C(=O)N2CCOC[C@H]2C2CC2)=NN1c1ccc(F)cc1 89975400 FOJVVQULRQBHIO-CVEARBPZSA-N 360.389 0.883 0 40 FCAB CCOC(=O)[C@](C)(O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 95943808 DNFQKEDUDSPRAO-MRXNPFEDSA-N 356.444 0.307 0 40 FCAB CC(C)NC(=O)N1CCN(C(=O)c2cccnc2)C[C@]2(CNC(=O)C2)C1 96036011 FJNXPCDOZDTKNN-SFHVURJKSA-N 359.430 0.464 0 40 FCAB NS(=O)(=O)c1cccc(S(=O)(=O)NCc2cn3c(n2)CCCC3)c1 97000841 WUCVOWZROREAJY-UHFFFAOYSA-N 370.456 0.345 0 40 FCAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN(C)C 224160538 HZNQEQDVDIUHOT-CYBMUJFWSA-N 357.476 0.918 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2ccc(F)cc2)C1 224383994 OMXHBXQRVZDSDX-CYBMUJFWSA-N 373.450 0.839 0 40 FCAB O=S(=O)(N1CCOCC1)N1CCC2(CC(Nc3ccncn3)C2)C1 257254420 KCYVDQJZRZDLFM-UHFFFAOYSA-N 353.448 0.320 0 40 FCAB CN(C)CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@H]1C2 306138969 SLYHQMJZOCCKOW-HUUCEWRRSA-N 374.514 0.935 0 40 FCAB Cc1cc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cnccn4)[C@H]3C2)n(C)n1 306139233 SSTDBRSVGHOTLZ-FRFSOERESA-N 356.430 0.395 0 40 FCAB O=C(COCc1ccccc1)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 390831054 PHZVIAVMRKOVIA-QGZVFWFLSA-N 366.483 0.971 0 40 FCAB COCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408601359 FXPGQYWXMSWXIU-CYBMUJFWSA-N 372.443 0.237 0 40 FCAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCOCC1 408622892 NXBZYTQLHIAWBW-SNVBAGLBSA-N 362.835 0.874 0 40 FCAB O=C(NCC1CCOCC1)[C@H]1CN(C(=O)c2cnccn2)Cc2ccnn21 575402581 BYLOPTVCNWWIDA-MRXNPFEDSA-N 370.413 0.413 0 40 FCAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCNCC2(F)F)C1 579222423 OTJTVSNFBANRHX-IJLUTSLNSA-N 353.435 0.886 0 40 FCAB CN(Cc1cccc(OCCN2CCCC2)c1)[C@@H]1COC[C@@H](O)[C@H]1O 585292127 YOKZFLVBNDELPF-QRVBRYPASA-N 350.459 0.714 0 40 FCAB Cc1cc(=O)c(OCC(=O)NCCn2cnc3ccccc3c2=O)c[nH]1 604418516 JIMPZAUGOXZOFR-UHFFFAOYSA-N 354.366 0.588 0 40 FCAB O=C(C1CC(F)(F)C1)N1CCO[C@]2(COCCN(c3cnccn3)C2)C1 1614940823 OTBJURKSKQMKAF-INIZCTEOSA-N 368.384 0.956 0 40 FCAB CC[C@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COC(C)C 625961 ZNQWANUJEPNPPI-WDEREUQCSA-N 353.423 0.420 0 40 FCAB COc1ccc(C2(CNC(=O)C(=O)NCCCO)CCOCC2)cc1 5428202 GUEKVWNEQQSJTK-UHFFFAOYSA-N 350.415 0.358 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)nc(S)nc2O)cc1 8652531 PROMLWRLKVWCDH-UHFFFAOYSA-N 355.401 0.812 0 40 FCAB COc1ccc(NC(=O)CSc2ncn[nH]2)cc1S(=O)(=O)N(C)C 9316769 DBFZPRKPLVUQAY-UHFFFAOYSA-N 371.444 0.794 0 40 FCAB CCOC(=O)c1ccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 11769886 CQORENKUFUJILM-JXMROGBWSA-N 357.366 0.913 0 40 FCAB CN1CCN(C(=O)[C@H]2C[C@@H](c3ccc(F)cc3)NS(=O)(=O)N2C)CC1 12129713 WEWMNWCFCWUDFS-LSDHHAIUSA-N 370.450 0.179 0 40 FCAB O=C(NCCO)C(=O)Nc1ccccc1C(=O)NC1Cc2ccccc2C1 13723768 YJBATWUVUAJBLC-UHFFFAOYSA-N 367.405 0.631 0 40 FCAB O=C(CCn1cccn1)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1 19406145 HZDOWCXZLJSPOO-HNNXBMFYSA-N 356.430 0.921 0 40 FCAB COc1ccc(C(=O)N2CCCC[C@@H]2CCNS(=O)(=O)N(C)C)cn1 19745894 IONVMNOTQNDLFH-CQSZACIVSA-N 370.475 0.871 0 40 FCAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 22968690 GVNZQIVTOVWLMP-GOEBONIOSA-N 370.446 0.750 0 40 FCAB Cc1cc(N2CCN(C[C@@H](O)CN3CCOCC3)CC2)nc(C(C)C)n1 29632454 WNRCIBYZDPUPKU-QGZVFWFLSA-N 363.506 0.724 0 40 FCAB COc1ccc(N[C@H](C)C(=O)N2CCOCC2)cc1NS(C)(=O)=O 30026541 WNFYKKAVXJYQDP-LLVKDONJSA-N 357.432 0.726 0 40 FCAB Cn1cc(-c2nc(C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cs2)cn1 40154308 IBICWPPSJLVQKG-NSHDSACASA-N 369.472 0.697 0 40 FCAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cccnc1-n1cncn1 47123039 QZYJWQHLTMTKHF-UHFFFAOYSA-N 361.365 0.758 0 40 FCAB COc1ccc(C(=O)Cn2c(Cl)nc3c(=O)n(C)c(=O)n(C)c32)cc1 57312073 PYIXCNICLAVPHF-UHFFFAOYSA-N 362.773 0.979 0 40 FCAB COc1ccc(I)cc1S(=O)(=O)NC[C@H](C)O 95946402 ZCAJGIYFVHCCDC-ZETCQYMHSA-N 371.196 0.959 0 40 FCAB Cn1ncc2c(N3CCN(C(=O)[C@@H](N)C4CCCCC4)CC3)ncnc21 95971696 JHDHNAPHDPCPQP-HNNXBMFYSA-N 357.462 0.920 0 40 FCAB COCCNc1ccnc([C@H]2COCCN2C(=O)C2CCOCC2)n1 96218657 YCZLSNPVKRSRBH-CQSZACIVSA-N 350.419 0.861 0 40 FCAB CC1=NN(c2ccc(C)cc2C)C(=O)[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 101901875 ATNBLVMFUGCYEI-UKRRQHHQSA-N 363.439 0.945 0 40 FCAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1OC 243682737 PHRRTWRGWDQEFP-LLVKDONJSA-N 363.457 0.902 0 40 FCAB O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CCNC[C@@H]13)O2 253402173 NZTJTYGTTFDNLA-ZOBUZTSGSA-N 371.437 0.713 0 40 FCAB Cc1nccn1CC(=O)N1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257229607 FYSZUFIIWALDCY-GFCCVEGCSA-N 351.432 0.724 0 40 FCAB COCCn1cc(C(=O)N2CCN(C(C)=O)[C@@H](C(N)=O)C2)c2ccccc21 257343382 ZSTJOHBPEHYITA-QGZVFWFLSA-N 372.425 0.446 0 40 FCAB CN(C)S(=O)(=O)c1ccc(NC(=O)CCOC2CCOCC2)nc1 281111002 HALXMXSYDJTTCT-UHFFFAOYSA-N 357.432 0.856 0 40 FCAB C[S@@](=O)c1nncn1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 329252673 VOAUTMFRSGCNTI-YEBMWUKDSA-N 352.391 0.755 0 40 FCAB O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CCO1 574963658 ADAPMPKYHUIYID-JTQLQIEISA-N 355.290 0.901 0 40 FCAB CN1CC2(CN(C(=O)c3cccc(O)c3)C2)OC[C@H]1C(=O)NC1CCCC1 585094407 CACNSCOMWDDROV-KRWDZBQOSA-N 373.453 0.976 0 40 FCAB Cc1ccc(-n2ncc3c(=O)n([C@@H]4CCN(CC(=O)O)C4=O)cnc32)cc1 663219016 GLOCHPRQYMRXCE-CQSZACIVSA-N 367.365 0.749 0 40 FCAB Cc1ccc(C(=O)N2CC[C@@H]3CN(S(C)(=O)=O)CCO[C@@H]3C2)cn1 2055730047 VGWAPGNEWUXMKI-HUUCEWRRSA-N 353.444 0.513 0 40 FCAB COc1ccccc1/C=c1/[nH]c(=O)/c(=C\c2ccccc2OC)[nH]c1=O 752110 SVXGBEWJMBBCQR-JOBJLJCHSA-N 350.374 0.738 0 40 FCAB Cn1c(N)c(C(=O)CSc2nncn2-c2ccccc2)c(=O)n(C)c1=O 3544151 FWPGLKDNERZDRT-UHFFFAOYSA-N 372.410 0.222 0 40 FCAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2O)c1 5889996 DHKDPFUWVYCIDO-UHFFFAOYSA-N 350.352 0.835 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C(=O)O)[C@H](C)O 14120420 XSSYFZZDGSORJF-SMDDNHRTSA-N 370.427 0.343 0 40 FCAB COc1cc(C(=O)NC(=S)N2CCN(C)CC2)cc(OC)c1OC 19860643 JGUPIYJILYXISB-UHFFFAOYSA-N 353.444 0.975 0 40 FCAB CCOC(=O)c1c(NC(=O)CNCCN(C)C)sc(C(=O)NC)c1C 22030070 USMDJPACFRQYCB-UHFFFAOYSA-N 370.475 0.683 0 40 FCAB O=C(NC[C@@H]1CCCO1)C(=O)NC[C@@H](c1ccco1)N1CCOCC1 22769477 OTWYPHHYZVUPIX-KBPBESRZSA-N 351.403 0.064 0 40 FCAB CC(=O)N1CCc2nc(C3CCN(CCN4CCOCC4)CC3)ncc2C1 23089291 XEOJQRIQZOKNJM-UHFFFAOYSA-N 373.501 0.893 0 40 FCAB CCN1CCN(C(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)CC1 26112773 SZYPBWWRHVAUNH-INIZCTEOSA-N 367.471 0.768 0 40 FCAB NS(=O)(=O)c1cc(C(=O)NC[C@H]2COc3ccccc3O2)cs1 32843747 FIERMGGABBVGNI-JTQLQIEISA-N 354.409 0.965 0 40 FCAB O=C(Cn1ncccc1=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1 36700523 GZAZWMBMUFSHJY-UHFFFAOYSA-N 366.381 0.642 0 40 FCAB CCNC(=O)C1(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCCCC1 58214232 HXOFZDRGJPAZSG-UHFFFAOYSA-N 372.425 0.645 0 40 FCAB NS(=O)(=O)c1ccc(CNC[C@]2(O)CCCN3CCCC[C@@H]32)cc1 63844800 ATQFYDDAMITBQD-IAGOWNOFSA-N 353.488 0.803 0 40 FCAB O=C(CN1CCC[C@H](c2nccnc2-n2ccnc2)C1)N1CCOCC1 72350549 FWCMEIZRYUOGNA-HNNXBMFYSA-N 356.430 0.701 0 40 FCAB O=C1CN(C(=O)CCC(=O)Nc2nnc(C3CCCC3)s2)CCN1 72405525 RQGKCVPQPAVTOT-UHFFFAOYSA-N 351.432 0.873 0 40 FCAB Cc1nc(CN2CCN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)CC2)n[nH]1 76017401 WRUYKLUBCFPLRU-KRWDZBQOSA-N 364.494 0.944 0 40 FCAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3nnc(Cl)c(N)n3)CC2)C1 84686252 FPHYZODWAGMOPX-RYUDHWBXSA-N 367.885 0.734 0 40 FCAB COc1ccc(CN2C[C@H](C(=O)N[C@@H](C)C[S@@](C)=O)CC2=O)cc1 96010502 ONSDHESDPATTMP-YZYGWBJASA-N 352.456 0.927 0 40 FCAB COCCN1[C@]2(CCN(S(C)(=O)=O)C2)c2ccccc2S1(=O)=O 96143049 QCMUVDUBCSBBOZ-AWEZNQCLSA-N 360.457 0.198 0 40 FCAB CN(C)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cccnc3)CC2)O1 96144823 ZMNZLDFIKRXMQZ-HNNXBMFYSA-N 369.425 0.897 0 40 FCAB Cc1ccc(NC[C@H]2CO[C@@]3(COCCN(S(C)(=O)=O)C3)C2)nn1 96240575 XUGKMXFGOHUGIV-ZFWWWQNUSA-N 356.448 0.264 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)NCCSc2nc(C)n[nH]2)CC1 222611118 KGBOUSGSIMONQO-UHFFFAOYSA-N 361.493 0.383 0 40 FCAB Nc1nnc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 222639566 WLXGZVGOKVYJQJ-UHFFFAOYSA-N 356.429 0.720 0 40 FCAB Cn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(N)=O)CC3)ccc21 225674562 NVISYMMMGNRLME-UHFFFAOYSA-N 355.441 0.486 0 40 FCAB CNC(=O)COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1Cl 226686215 OXJXILSGQSKXTR-UHFFFAOYSA-N 361.851 0.401 0 40 FCAB CN(C)c1cc(N2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)ncn1 248138330 SKNRYVANKYNSSE-GFCCVEGCSA-N 355.464 0.077 0 40 FCAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)c1n[nH]c2c1CCC2 257297634 RIFMVNRAKAWWAN-JHNDHUHGSA-N 361.373 0.709 0 40 FCAB O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N[C@H]1CCCN(c2ncccn2)C1 332875750 KCHDSQXFBHCHTM-KBPBESRZSA-N 358.446 0.756 0 40 FCAB O=C(NCCc1ccccc1)C(=O)NCC1CCN([C@@H]2CCOC2)CC1 575616010 LMGQXJJTIXUYFX-GOSISDBHSA-N 359.470 0.962 0 40 FCAB COc1ccc2nnc(CNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)n2n1 585149285 GECAFGUREBRCES-GFCCVEGCSA-N 366.381 0.802 0 40 FCAB CCC[C@H](C(=O)N[C@@](C)(CC(=O)OC)c1ccncc1)S(N)(=O)=O 597533071 WCEDBZWUMZSNPK-DOMZBBRYSA-N 357.432 0.433 0 40 FCAB O=C([C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCOCCN1 615490216 RFXMWRRJTKNLLA-INIZCTEOSA-N 367.471 0.592 0 40 FCAB COCCN1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(C(=O)c2cc[nH]c2)CC1 1565546520 FNCZJARMVKUHJX-JKSUJKDBSA-N 360.458 0.656 0 40 FCAB COc1cc(C(=O)N2CCOC[C@]3(C[C@@H](Cn4cnnc4)CO3)C2)on1 1565548943 MWZMBVZLYVXSCE-LRDDRELGSA-N 363.374 0.223 0 40 FCAB CC(=O)OCC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615126952 PDFULNMKDXNEJO-QGZVFWFLSA-N 350.346 0.723 0 40 FCAB COCCN1C(=O)C[C@H](C(=O)N(C)Cc2cnn(C)c2)[C@H]1c1nccn1C 1615551354 LDXKUQJKVAAVQY-HOCLYGCPSA-N 374.445 0.348 0 40 FCAB O=C(NC1CCCC1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2 2332243301 ZHGMYERCPDUYKG-AWEZNQCLSA-N 368.459 0.403 0 40 FCAB COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 5006579 BCDLWVIIGLFYAH-BJMVGYQFSA-N 350.327 0.778 0 40 FCAB C[C@@H]1CN(C(=O)COC(=O)c2ccccc2NS(C)(=O)=O)C[C@@H](C)O1 5575582 LYBBCHZAXPIHQP-VXGBXAGGSA-N 370.427 0.851 0 40 FCAB Cn1ccc(C(=O)N2[C@H]3CC[C@@H]2Cc2nc(N4CCOCC4)ncc23)n1 12142583 QCZQRDQAYPUMEU-WBMJQRKESA-N 354.414 0.949 0 40 FCAB O=C(Nc1nc(=S)[nH][nH]1)C(=O)[C@@H]1C(=O)Nc2ccccc2[S@@]1=O 17214754 HKGYJZNTRDWZLP-JRSYYBBYSA-N 351.369 0.103 0 40 FCAB COC(=O)c1sc2nc(CN3CCN(C(C)=O)CC3)[nH]c(=O)c2c1C 21822542 FMIZOICLXNUDMJ-UHFFFAOYSA-N 364.427 0.744 0 40 FCAB Cc1cnc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cn1 23541982 SMOCYRQPLIUBEI-QGZVFWFLSA-N 368.393 0.909 0 40 FCAB Cn1ncc(C(=O)O)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 36615510 OEIWCHROIDFNJY-UHFFFAOYSA-N 372.381 0.805 0 40 FCAB C[C@@H]1CN(S(=O)(=O)CCNc2ncnc3c2cnn3C)C[C@@H](C)O1 42108278 JQAIXYWPEWCPQB-GHMZBOCLSA-N 354.436 0.214 0 40 FCAB COc1ccc(S(=O)(=O)N2CCOC[C@H](Oc3cnccn3)C2)cc1 77265778 IFRNCBNOASAYOU-CQSZACIVSA-N 365.411 0.954 0 40 FCAB biogenic,in-vitro COC(=O)C[C@@H]1CN(C(=O)CCN2C(=O)c3ccc(C)cc3C2=O)CCO1 79018596 WSCJXEDXZDIPFF-CYBMUJFWSA-N 374.393 0.772 0 40 FCAB OCc1nnc2ccc(N3CCN(CCOc4ccccc4)CC3)nn12 95460588 CJKFTHFVFXMGIZ-UHFFFAOYSA-N 354.414 0.818 0 40 FCAB Cn1c(C(=O)NCc2cccc(F)c2)nc2c1CCN(S(C)(=O)=O)C2 96264885 PYUSUNZHOSYYDJ-UHFFFAOYSA-N 366.418 0.807 0 40 FCAB COc1nn(C)cc1C(=O)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 225606307 SGCDZYNTTIESNK-UHFFFAOYSA-N 372.429 0.560 0 40 FCAB COCCOCCOCCOCCOCCOCCOCCCO 258837490 SJSMEWXPHXNVAB-UHFFFAOYSA-N 354.440 0.115 0 40 FCAB Cn1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2ccnn2C)cn1 306143431 YCDHLHBNUVJOMY-OAHLLOKOSA-N 358.446 0.565 0 40 FCAB O=C(COCc1ccccc1)NC1CCN([C@H]2CCS(=O)(=O)C2)CC1 390831053 PHZVIAVMRKOVIA-KRWDZBQOSA-N 366.483 0.971 0 40 FCAB CCNS(=O)(=O)c1ccc(CCC(=O)NCCN2CCOCC2)cc1 408598188 XSQSTHXJHKUNIX-UHFFFAOYSA-N 369.487 0.366 0 40 FCAB COCCN1CC[C@@]2(CN(C(=O)c3ccnn3C)CC(F)(F)C2)C1=O 585093132 DLQGFOWTQJZPCX-OAHLLOKOSA-N 356.373 0.766 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3ccc(C(C)C)nc3C)C2)C1 685943167 XFGWBLSLPYVMOW-ZDUSSCGKSA-N 358.442 0.932 0 40 FCAB Cn1c(O)nc(N2CCN(C(=O)c3onc4c3CCCC4)CC2)cc1=O 1565522056 OZZNRXUZYBYWIK-UHFFFAOYSA-N 359.386 0.315 0 40 FCAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565546543 GMQLOBXWBQBLRO-MGTHKWJCSA-N 356.426 0.224 0 40 FCAB CN(C)CCN1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)CC[C@@H]21 1565547943 YTRKKYIETDFGIS-IRXDYDNUSA-N 362.474 0.102 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3c(Cl)c(C)nn3C)[C@@H]2SC1 2782636 WKERSIOSCVSUHK-OQPBUACISA-N 370.818 0.754 0 40 FCAB O=C(NN1CCOCC1)c1ccn(Cn2nnc(-c3ccccc3)n2)n1 2791963 AMKVSKFVCGWQML-UHFFFAOYSA-N 354.374 0.019 0 40 FCAB COC(=O)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 3294396 IUYZTWQWRIRNNC-UHFFFAOYSA-N 355.807 0.694 0 40 FCAB COCCNC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479160 GBFUXSAOWPYHNT-UHFFFAOYSA-N 361.789 0.998 0 40 FCAB COc1ccc(OC)c(NC(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)c1 8048469 RFEJAHJJMMERHL-UHFFFAOYSA-N 359.342 0.079 0 40 FCAB CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1 14198258 KVDIVURSAVEVFG-UHFFFAOYSA-N 368.455 0.994 0 40 FCAB C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024622 WCKBTDOWSCYDFM-IEQMKSGDSA-N 357.410 0.586 0 40 FCAB CCOC(=O)[C@H]1CCCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 24938967 BDTKOZIWVVXOFH-UONOGXRCSA-N 360.410 0.919 0 40 FCAB O=C(CN1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1)N1CCCC1 25194665 ZHLYVWKIXOPOIG-UHFFFAOYSA-N 368.437 0.908 0 40 FCAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCN(c2cnccn2)CC1 26662844 LSNUKYYDUFQUEO-MRXNPFEDSA-N 366.425 0.719 0 40 FCAB C[C@@H](C(=O)NC1CC1)N1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 32724179 AOEPRGZPCHQVFG-YPMLDQLKSA-N 359.382 0.935 0 40 FCAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)NN2CCN(C)CC2)cc1 49025952 NSRHRZYOWHBJEY-UHFFFAOYSA-N 372.429 0.573 0 40 FCAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C)C(=O)O)n2)cc1OC 49546481 NDKNYNQZIUNMEX-JTQLQIEISA-N 361.354 0.517 0 40 FCAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)NC3(CCC3)C2=O)cc1 58264665 IOIZQRBEOFNDTG-UHFFFAOYSA-N 358.398 0.866 0 40 FCAB Cc1nnc(NC(=O)CN2CCN(C[C@H](O)c3ccco3)CC2)s1 85436897 MUBMRXMWBLMFBJ-LBPRGKRZSA-N 351.432 0.729 0 40 FCAB COc1cc([C@H](C)O)cc(OC)c1OCC(=O)N1CCC[C@H](C(N)=O)C1 89904546 YKUCSPZUETUVAZ-RYUDHWBXSA-N 366.414 0.860 0 40 FCAB CCS(=O)(=O)N1CCC2(CC1)CC[C@@]1(C(=O)N(C)C)CN(C)C[C@@H]21 96262428 LCKLEUQICUGHRE-WMLDXEAASA-N 357.520 0.848 0 40 FCAB COCCN1CC[C@H](c2nnc3ccc(C(=O)N4CCN(C)CC4)cn23)C1 96267485 RUIVYCGBUXSHQG-HNNXBMFYSA-N 372.473 0.553 0 40 FCAB CC(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(CCc1ccccc1)S3(=O)=O)O2 107185237 UATMFHCAKMBVMV-IKGGRYGDSA-N 350.440 0.633 0 40 FCAB COc1cc2c(N)nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)[nH]c-2cc1=O 206499949 SJKBVIWBQFXGFG-CQSZACIVSA-N 373.413 0.293 0 40 FCAB in-vitro O=S(=O)(NC[C@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1)C1CC1 247340208 SBHMIANHFMOSGU-LLVKDONJSA-N 356.423 0.683 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2cncn21 247489951 BDDWMTNQGRYKCB-CYBMUJFWSA-N 354.457 0.620 0 40 FCAB CC(=O)N(C)[C@@H]1CO[C@@H]2CCN(C(=O)c3c[nH]cn3)C[C@@H]2C[C@@]1(C)O 257260799 LEKVGGPLGICYQE-DPAVQSFQSA-N 350.419 0.259 0 40 FCAB NC(=O)N1CCC([C@@H]2C(=O)Nc3ccc(C(=O)N4CCOCC4)cc32)CC1 306127903 GKKPGKNMSODIJN-INIZCTEOSA-N 372.425 0.985 0 40 FCAB CN(C(=O)/C=C/c1cnc[nH]1)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 585291164 MFXCGNJOUMHEPP-FWOUMHECSA-N 368.401 0.368 0 40 FCAB COC(=O)/C=C1/C(=O)O[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 586106222 GHQNSEQBKJGFKW-LPEQCFEDSA-N 351.380 0.268 0 40 FCAB COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cccc2c1OCCO2 647927687 ZJDLSSQCHIMWKV-OAHLLOKOSA-N 357.384 0.712 0 40 FCAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2)N1CCOCC1 1547200944 COHDSTYPOQWIMH-UHFFFAOYSA-N 361.333 0.031 0 40 FCAB O=C(NCc1ccon1)[C@H]1C[C@@]2(CO1)CN(Cc1nccs1)CCO2 1565541657 LDJAJEIQBDJFHM-CJNGLKHVSA-N 364.427 0.807 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775973980 VAKLCSVBKUNAPY-UHFFFAOYSA-N 350.444 0.915 0 40 FCAB Cc1nc2ncnn2c(N2CC[C@H](N(C)S(=O)(=O)C3CC3)C2)c1C 1888856696 AERZQZQOWNILQR-LBPRGKRZSA-N 350.448 0.744 0 40 FCAB CC1(C)Cc2c(sc(NC(=O)C(=O)NCCCN)c2C(=O)O)CO1 6669988 FMMQESHIFUKFLD-UHFFFAOYSA-N 355.416 0.701 0 40 FCAB O=C(CNC(=O)c1ccccc1F)OCn1nnc2ccccc2c1=O 6886761 XZPPIMODBVTVBD-UHFFFAOYSA-N 356.313 0.861 0 40 FCAB COc1cc(OC)c2c(C)c(CC(=O)N3CCNC(=O)C3)c(=O)oc2c1 8765441 OMCCSZGBCIPULK-UHFFFAOYSA-N 360.366 0.620 0 40 FCAB biogenic O=C(NCCCn1ccnc1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059602 ABEBEBYVYIBDCU-ZDUSSCGKSA-N 354.418 0.972 0 40 FCAB COCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(OC)cc1 12233858 NGJLMMYYMNNUJQ-UHFFFAOYSA-N 359.386 0.565 0 40 FCAB C[C@H]1C(=O)N2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@@H]2C(=O)N1C 14531801 VTOJWNZCNIGACU-SUMWQHHRSA-N 371.416 0.885 0 40 FCAB CCN1CCN(C2=NC(=O)C[C@H](C(=O)Nc3ccc4c(c3)OCO4)N2)CC1 14606960 YSNAFWOELXLWBR-CYBMUJFWSA-N 373.413 0.236 0 40 FCAB COC(=O)CCN(C(=O)COc1ccccc1)[C@@H]1CCS(=O)(=O)C1 32641456 CANXEUKALUVYPU-CYBMUJFWSA-N 355.412 0.644 0 40 FCAB O=C1CCC[C@H]1[C@H]1COCCN1CC(=O)N1CCC2(CC1)OCCO2 95945697 WHRHWGMFGOBJDF-LSDHHAIUSA-N 352.431 0.422 0 40 FCAB Cn1ccnc1CN1CC[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 96062373 YAAMFBXLEMXCET-SFHVURJKSA-N 356.430 0.575 0 40 FCAB COc1cc(N2C[C@@H]3COC[C@]3(CNS(=O)(=O)C3CC3)C2)ncn1 96108385 OGRFXDQFJOETIZ-ABAIWWIYSA-N 354.432 0.020 0 40 FCAB CCCNC(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(C)c1)C2=O 98213158 PYOQAQFUJNFCAD-UHFFFAOYSA-N 357.414 0.535 0 40 FCAB O=c1c(NCCOCCO)c(N2CCN(c3ccc(F)cc3)CC2)c1=O 101696532 ZXUJLAASJGREFO-UHFFFAOYSA-N 363.389 0.169 0 40 FCAB C[C@H](CO)NC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 106092710 RPHRDPJVKNUWJZ-IJLUTSLNSA-N 353.394 0.875 0 40 FCAB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)Cc1ccc(F)cc1 243227933 KLFQBRQCMBBVQM-UHFFFAOYSA-N 373.450 0.036 0 40 FCAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](CNC(N)=O)C2)C1 524929001 NTKBGYZXIGVNQC-FRRDWIJNSA-N 360.480 0.432 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)NCCN[C@@]2(C)CCS(=O)(=O)C2)c1 575426056 LMNOQUFUUSJSBI-HNNXBMFYSA-N 360.501 0.749 0 40 FCAB CN1c2cc(F)c(NC(=O)c3cccn(C)c3=O)cc2N(C)S1(=O)=O 575611285 DSNMIQOCNIUSJX-UHFFFAOYSA-N 366.374 0.908 0 40 FCAB CN1CCO[C@H](CS(=O)(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)C1 632256015 JHZVLVYXUZFUAC-RWMBFGLXSA-N 374.425 0.720 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1nn(C)cc1Br 643947583 ZOXIDJXZDWFMAM-CYBMUJFWSA-N 359.224 0.550 0 40 FCAB CC(C)NC(=O)c1c2c(nn1C)CO[C@@H](CNC(=O)[C@H]1CCOC1)C2 1565545034 CDZVSBPFFVLXCH-NWDGAFQWSA-N 350.419 0.152 0 40 FCAB O=C1CO[C@]2(COCCN(C(=O)c3csnn3)C2)CN1CC1CC1 1614931801 IUELFWRENJTYBL-HNNXBMFYSA-N 352.416 0.018 0 40 FCAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(C(=O)C3CC=CC3)CC2)[nH]1 2055713630 PGYOOZCKPRQGHK-UHFFFAOYSA-N 368.441 0.961 0 40 FCAB COC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 866649 ITHDNBAZZIEUGA-YMTOWFKASA-N 366.171 0.829 0 40 FCAB CN(C(=O)CSc1nnc(C(F)(F)F)n1C)[C@@H]1CCS(=O)(=O)C1 3414075 UVKQMBLBDWIYJR-SSDOTTSWSA-N 372.394 0.572 0 40 FCAB C[C@@H](O)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 4911655 BSLPXXBMQUOFOL-GFCCVEGCSA-N 357.414 0.451 0 40 FCAB Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCOCC1 6881228 YDMWGPCAJLWESK-UHFFFAOYSA-N 358.464 0.436 0 40 FCAB NC(=O)c1nnsc1Sc1c(C(N)=O)nnn1-c1ccccc1N 8695415 ZNPWXEPKEZHEKK-UHFFFAOYSA-N 362.400 0.050 0 40 FCAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCCN(C)C)[C@H]4C2=O)no1 13623921 DQFOMWAVBNZPNL-LJGDNWOOSA-N 360.414 0.337 0 40 FCAB COc1ccc(-c2noc(C(=O)NCCNC(=O)c3cnccn3)n2)cc1 15082717 LIRXWMCDCBZQNU-UHFFFAOYSA-N 368.353 0.695 0 40 FCAB CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cccc(Cl)c1 25379823 VIRZONMFVHOALV-UHFFFAOYSA-N 373.862 0.830 0 40 FCAB NC(=O)[C@H]1CC(C(=O)NCc2nnc3ccccn23)=NN1c1ccccc1 32770851 FQYBPBVFUCXKRN-CQSZACIVSA-N 363.381 0.466 0 40 FCAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cnc2ccccn2c1=O 40040357 RIMZAEXXLGOXKC-UHFFFAOYSA-N 355.354 0.594 0 40 FCAB CS(=O)(=O)c1nccn1Cc1ccc(S(=O)(=O)N2CCCC2)o1 81272580 SLFOGJJLCLSNTH-UHFFFAOYSA-N 359.429 0.712 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CCN(S(=O)(=O)C1CC1)C2 96036201 PTTRTNLSDLWUNC-QGZVFWFLSA-N 371.503 0.517 0 40 FCAB Cc1cc(C)n(CCCC(=O)NC[C@]2(O)CCN(c3cnccn3)C2)n1 257291731 QIJSJZLTWZRESM-GOSISDBHSA-N 358.446 0.828 0 40 FCAB CC(=O)NCc1cnn(-c2ccccc2C(=O)N2CCC[C@H](C(N)=O)C2)c1 257311259 UISFUOQFGRFUCV-HNNXBMFYSA-N 369.425 0.846 0 40 FCAB CC(C)n1nc2n(c(=O)c1=O)C[C@]1(CCN(C(=O)c3ccco3)C1)OC2 306141658 WDDFTNXHYCLRTC-QGZVFWFLSA-N 360.370 0.394 0 40 FCAB O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(CC3CC3)C2)C1 514288815 FSHZGTGYJVMBNV-RTBURBONSA-N 355.482 0.971 0 40 FCAB biogenic,in-vitro Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H]1CS(=O)(=O)C[C@H]1O 575426526 UWEXXEZZFVFTLY-WDEREUQCSA-N 353.849 0.427 0 40 FCAB Cc1cc2c(cc1NC(=O)c1ccc(=O)n(C)n1)N(C)S(=O)(=O)N2C 575614022 ZHQZUXCOWIXBBZ-UHFFFAOYSA-N 363.399 0.472 0 40 FCAB COc1ccc(CN2[C@@H]3CN(C(C)=O)C[C@@H]3OCCS2(=O)=O)cc1 1534639871 MXDITMTUPLOIOD-CVEARBPZSA-N 354.428 0.457 0 40 FCAB CC12C=C(Cl)C(Cl)([C@H](C(=O)O)[C@@H]1C(=O)O)[C@H](C(=O)O)[C@@H]2C(=O)O 4611549 GAUWFYWDNGIVSY-AHJUADSSSA-N 367.137 0.923 0 40 FCAB CO[C@@H]1O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1NS(=O)(=O)Cc1ccccc1 4897579 IZZAWLWAMFDOBV-ZQDZILKHSA-N 357.428 0.997 0 40 FCAB Cc1csc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 6637881 VEKYQNXOESOUHI-SECBINFHSA-N 356.429 0.556 0 40 FCAB Cc1ccccc1-c1noc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 7137766 MEZPZRZNMWPQLD-UHFFFAOYSA-N 352.354 0.840 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)c2ccccc2O1 8130464 NNHKBUFXIRVWKB-INIZCTEOSA-N 364.365 0.816 0 40 FCAB NC(=O)NC(=O)COC(=O)c1cc(I)ccc1N 9338672 TVRXWPBWIAINIF-UHFFFAOYSA-N 363.111 0.225 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccc(NC(=O)C2CC2)cc1 10581579 DKDVZGWVVSYVHN-UHFFFAOYSA-N 370.409 0.969 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccn(C)n2)cc1 11714731 VTYDLSYRFBMRNZ-JTQLQIEISA-N 365.415 0.684 0 40 FCAB CN(Cc1ccccc1Cl)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15329305 GYAXTPDBXUHWPZ-UHFFFAOYSA-N 357.819 0.558 0 40 FCAB COC(=O)c1ccc(CSc2nnc(Cn3ccc(=O)[nH]c3=O)o2)o1 21704309 RPGLUKVCSIRAIM-UHFFFAOYSA-N 364.339 0.640 0 40 FCAB COc1ccc(S(=O)(=O)N(CC(N)=O)Cc2ccco2)cc1OC 27914383 RHLAZQYSGOPSCX-UHFFFAOYSA-N 354.384 0.973 0 40 FCAB COCCNC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O 35375580 IPFHNUTUGJIEHM-UHFFFAOYSA-N 371.441 0.333 0 40 FCAB CCNC(=O)NC(=O)[C@H](C)N1CCC(CC(=O)N2CCOCC2)CC1 58225176 LWRROLIOXGCRNK-ZDUSSCGKSA-N 354.451 0.182 0 40 FCAB NC(=O)[C@@H]1CC=CC[C@@H]1NC(=O)c1ccccc1N1CCC(=O)NC1=O 63881828 WYKOBIFNTYEGIM-YPMHNXCESA-N 356.382 0.683 0 40 FCAB COC(=O)CN(C)C(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 95349970 PFUSXKMTHSYYGV-QWHCGFSZSA-N 354.403 0.600 0 40 FCAB CC(C)CC(=O)N1C[C@@H]2[C@H](C1)c1nc(N(C)C)ncc1CS2(=O)=O 96251915 PORWCLKDRBRXNZ-QWHCGFSZSA-N 352.460 0.812 0 40 FCAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCC[C@@]2(C)CO)c1 97166175 SHDWKIXSCYACMZ-INIZCTEOSA-N 371.411 0.795 0 40 FCAB CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(N)=O)CC3=O)cc2)CC1 226318303 RFIDWAJGSOJZJS-ZDUSSCGKSA-N 365.455 0.945 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CCn2ncc3ccccc32)CCN1C(C)=O 257241570 HYOWJMOZNQXOOU-INIZCTEOSA-N 357.414 0.232 0 40 FCAB CN(CC1CC1)S(=O)(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 331494608 NHIIDXXEZXFOMW-OLZOCXBDSA-N 353.510 0.271 0 40 FCAB CCOC(=O)N1CCC(O)(CN2C[C@H]3CCCN3C[C@@H]2CCO)CC1 585282204 BQVTWOFMYINNMP-CVEARBPZSA-N 355.479 0.501 0 40 FCAB O=C(O)[C@@H]1CC(=O)N(C2CCN(C(=O)N=c3cc[nH]cc3F)CC2)C1 649541923 OMVFGGBSFNTSJY-SNVBAGLBSA-N 350.350 0.572 0 40 FCAB Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)N3CC[C@H](CO)C3)cc2)n1 671020559 SZAHPLHXZKXNBJ-KRWDZBQOSA-N 370.453 0.989 0 40 FCAB CN1CC(=O)Nc2cc(C(=O)N[C@H](C(N)=O)c3ccc(F)cc3)cnc21 1127802811 CWKSGMWJRRVYLQ-AWEZNQCLSA-N 357.345 0.565 0 40 FCAB COc1cc(-c2nnn(CC(=O)N3CCOCC3)n2)cc(OC)c1OC 1445822 HFMIHDWKBGGYIB-UHFFFAOYSA-N 363.374 0.225 0 40 FCAB O[C@H](COc1ccc(OC[C@H](O)Cn2ccnc2)cc1)Cn1ccnc1 3902339 BFNAQQMZMYIXFT-IYBDPMFKSA-N 358.398 0.959 0 40 FCAB CCN(CC(=O)NCc1cccs1)C(=O)CCn1[nH]c(=O)ccc1=O 8425222 NQCZHZHWNCKNKW-UHFFFAOYSA-N 364.427 0.153 0 40 FCAB CC(C)CNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 10250631 MPMZPCSUOPYIDH-UHFFFAOYSA-N 356.448 0.777 0 40 FCAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCCCOC)c3=O)cc1 12234029 HCJNXJADZTXCNZ-UHFFFAOYSA-N 373.413 0.955 0 40 FCAB Cc1c(-c2nc(C(N)=O)c3[nH]c(=O)n(Cc4ccccc4)c3n2)cnn1C 12338266 ZNOBHURTSFUCKP-UHFFFAOYSA-N 363.381 0.976 0 40 FCAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2cn(C)nc2C)c2ccccc21 13625084 MEPIFANIFQWDEY-OAHLLOKOSA-N 355.398 0.569 0 40 FCAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(S(C)(=O)=O)CC2)c1C 14122310 VWJPYKGOTPUBPB-LBPRGKRZSA-N 371.459 0.567 0 40 FCAB CN1CCN(C(=O)CN(C)C(=O)CCn2cnc3ccccc3c2=O)CC1 20591815 VPZPWHHYDWFLGQ-UHFFFAOYSA-N 371.441 0.019 0 40 FCAB Cc1cc(C)n2ncc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)c2n1 40068876 TXYFADYWLNYAGS-HNNXBMFYSA-N 357.414 0.810 0 40 FCAB CCc1c(C(=O)NCc2nncn2CC)cnn1-c1ccc(OC)nn1 40113375 FVRNNWOBVIGYLM-UHFFFAOYSA-N 356.390 0.775 0 40 FCAB CCOC(=O)N(C)CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 58227040 APCQWMUHFHOKGX-UHFFFAOYSA-N 362.430 0.540 0 40 FCAB O=C(c1cnccn1)N1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 58293553 DRIIBEHOYFMKBE-UHFFFAOYSA-N 364.365 0.083 0 40 FCAB O=C(NCCCC(=O)N1CCN(c2ccccn2)CC1)c1cnccn1 72403167 GHFQLGVRBZIJNO-UHFFFAOYSA-N 354.414 0.730 0 40 FCAB O=C([C@@H]1CCCN(Cc2nnnn2-c2ccccc2)C1)N1CCOCC1 73350700 FVKBPYIETCRQRP-OAHLLOKOSA-N 356.430 0.733 0 40 FCAB NC(=O)NC(=O)CCNC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 84374601 QLOXYPOXFYTWHK-UHFFFAOYSA-N 364.330 0.389 0 40 FCAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCC(Oc2ncccn2)CC1 85558179 HWQIXGLWBWHSSS-AWEZNQCLSA-N 374.441 0.874 0 40 FCAB CO[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]2CN(Cc3ccco3)C[C@@H]21 96220235 AHALQLXJQYCACA-RRFJBIMHSA-N 356.444 0.372 0 40 FCAB CC(C)CS(=O)(=O)N1CCN(C(=O)N(C)C)C[C@@]2(CC(=O)N(C)C2)C1 96262084 PSROEIKMJPIJBQ-INIZCTEOSA-N 374.507 0.120 0 40 FCAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(CC3CC3)C2)C(=O)N1Cc1ccccc1F 225391222 DALWIKKLXQWUQJ-WBVHZDCISA-N 373.428 0.594 0 40 FCAB biogenic,in-vitro NC(=O)COc1ccc(S(=O)(=O)N[C@H]2CCn3nccc3C2)cc1 253473892 ZMFKLNNQOUUXSX-NSHDSACASA-N 350.400 0.041 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Cc2nccnc2-c2cncn2C)CC1 257253374 JYPQPTMWPXHZNL-UHFFFAOYSA-N 364.475 0.938 0 40 FCAB O=S(=O)(c1ccccc1F)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257332328 XWUCHVQRIQYGQU-GJZGRUSLSA-N 358.435 0.672 0 40 FCAB Cc1cc(CN2Cc3ncn(C)c3[C@@H](C(=O)N3CCOCC3)C2)n(C)n1 306142428 WZEPNGMELXRWQW-HNNXBMFYSA-N 358.446 0.420 0 40 FCAB COc1ccccc1CN(CCO)C(=O)CN1CCCC[C@@H](O)C1=O 644402539 DXYVFRZSYUAYDB-OAHLLOKOSA-N 350.415 0.390 0 40 FCAB COc1ccnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 917080344 GLUBMGYKOKZXGP-UHFFFAOYSA-N 359.411 0.756 0 40 FCAB COC(=O)N[C@@H]1CSC[C@H]1OC(=O)CN1C(=O)c2ccccc2C1=O 1427463 LQFFEUFPCVWAOA-VXGBXAGGSA-N 364.379 0.666 0 40 FCAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(N)=O 3367318 IEAQRXDXTRQLCE-GKQMSVHHSA-N 361.807 0.246 0 40 FCAB CCCNC(=O)COC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 3380714 GTNDRADXEWZPNI-JTQLQIEISA-N 353.400 0.183 0 40 FCAB COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCC(C(N)=O)CC1 4862198 AIBAPXVNOOLIFF-INIZCTEOSA-N 358.446 0.915 0 40 FCAB Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1C1CCCC1 5252184 FDLXGKHUROBXHM-UHFFFAOYSA-N 358.402 0.367 0 40 FCAB CCc1cccc(OC[C@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 12648061 KYKJTSNPCBAHFE-CYBMUJFWSA-N 358.398 0.436 0 40 FCAB Cc1ccc(N([C@H](C)C(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1 13632239 DUFSLQPHKRMNJH-CQSZACIVSA-N 353.444 0.450 0 40 FCAB COc1ccc([C@H]2CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)c(OC)c1 15830364 KWPZSNOMGLUHCT-CQSZACIVSA-N 359.382 0.918 0 40 FCAB CC[C@@H](C)S(=O)(=O)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19500035 VOCBJBGZEHPBDI-VXGBXAGGSA-N 352.464 0.621 0 40 FCAB CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 19889809 LINGCXPRGYILQP-HNNXBMFYSA-N 351.472 0.861 0 40 FCAB Cn1c(=O)oc2ccc(S(=O)(=O)NCCOCC(F)(F)F)cc21 20428128 TUYVGFIMELYFEY-UHFFFAOYSA-N 354.306 0.989 0 40 FCAB Cc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1 20568021 GJFLFHDOTHXKCJ-UHFFFAOYSA-N 355.460 0.209 0 40 FCAB CCn1c(=O)n(CC(=O)OC)c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 22610632 DWJSZWLQVPOYRE-UHFFFAOYSA-N 359.382 0.906 0 40 FCAB COc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)NC3CC3)CC2)cc1 22932420 UKQCJJWWIDKNLD-AWEZNQCLSA-N 360.458 0.918 0 40 FCAB Cc1cnc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cn1 24781636 XDPOOGQFSSPKJG-UHFFFAOYSA-N 350.386 0.723 0 40 FCAB O[C@H](CN1CCOCC1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 25539666 IYGSAZXXCJDWPZ-KRWDZBQOSA-N 363.458 0.226 0 40 FCAB NS(=O)(=O)Cc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1 25612794 BERMALOYEBEZIS-UHFFFAOYSA-N 358.379 0.735 0 40 FCAB Cn1c(=O)c2nc(Br)n(Cc3cccnc3)c2n(C)c1=O 27811000 XRNGNRDQZDQVKF-UHFFFAOYSA-N 350.176 0.640 0 40 FCAB Cc1nc(C)c(CC(=O)NCc2cccnc2N2CCOCC2)c(=O)[nH]1 31285374 BTXABANXHOWZCO-UHFFFAOYSA-N 357.414 0.477 0 40 FCAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCCc1ccc(F)cc1 36357269 FMULDVOWIUDPLG-SMDDNHRTSA-N 371.434 0.359 0 40 FCAB CN(C)C(=O)CN1CCCN([C@H](C(=O)NC(N)=O)c2ccccc2)CC1 40081924 FRYODIYCVVVBET-INIZCTEOSA-N 361.446 0.019 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)cc1 40154918 AKVGUTRKXAPJKX-FZMZJTMJSA-N 372.468 0.523 0 40 FCAB COC(=O)CCNC(=O)CCNC(=O)c1nc(SC)ncc1Cl 41156235 QZNFNJRPLZPNOA-UHFFFAOYSA-N 360.823 0.651 0 40 FCAB CN(C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CCCC1 50145549 GFYMZZBPPLREKX-UHFFFAOYSA-N 373.457 0.806 0 40 FCAB CCCCSc1nnc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1C 95946471 AIWMCDQFECPLIO-UHFFFAOYSA-N 363.447 0.503 0 40 FCAB O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CCN(C(=O)c3cscn3)C2)C1 96225622 DPTZUCYHUXXPJY-BZNIZROVSA-N 364.427 0.799 0 40 FCAB Cc1ccc2nc(C(=O)N3CC[C@](O)(CN4CCN(C)CC4)C3)cn2c1 257290975 QFBNELYUNXDPFG-IBGZPJMESA-N 357.458 0.467 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)N(C)C[C@@]1(O)CCN(c2cnccn2)C1 257325082 WRIBXCRWVHLPGG-SFHVURJKSA-N 358.446 0.469 0 40 FCAB O=C(Cn1ccnc1)N1C[C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 257345038 ZZRKNMIQEWHDSB-HZPDHXFCSA-N 358.373 0.661 0 40 FCAB Cn1nccc1C(=O)N1CC[C@]2(C1)CN(S(C)(=O)=O)c1cccnc12 306141584 WBCMTDHUIYHISJ-INIZCTEOSA-N 361.427 0.379 0 40 FCAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCc1cc(C(N)=O)co1)CC2 548333763 XNJPIEXYVGAOFL-UONOGXRCSA-N 351.403 0.840 0 40 FCAB CC(C)S(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)C3CC(F)(F)C3)[C@H]2C1 575403605 IBQAWRMFPRQWQK-YNEHKIRRSA-N 366.430 0.833 0 40 FCAB Cc1ccc(=O)n(CC(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)n1 575606086 CYPQGMGYUDGMCD-UHFFFAOYSA-N 354.414 0.179 0 40 FCAB CN(C)CCNC[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O 585288891 AKAIYIOQDRZTHF-RDJZCZTQSA-N 355.866 0.429 0 40 FCAB Cc1ccc(C[C@@]2(CO)CN(CC(=O)Nc3cnn(C)c3)CCO2)cc1 1615083092 UGCAQHFSDVVBFG-IBGZPJMESA-N 358.442 0.973 0 40 FCAB C[C@H](C(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1)n1cccn1 1888904035 ABRBCMLMOIVLOB-MCIONIFRSA-N 366.429 0.716 0 40 FCAB CC(=O)NCC(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037838611 RBEPCGMHAZGIBZ-UHFFFAOYSA-N 363.389 0.686 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 5164587 JPUQXHRTAMWBMF-JSGCOSHPSA-N 359.338 0.334 0 40 FCAB CC[C@H](C)[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)OC 8197813 KRACPILRQKWXJU-GWCFXTLKSA-N 357.432 0.721 0 40 FCAB Cn1cc(S(=O)(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(=O)n(C)c1=O 8746160 MGBHYUAZEAAFBE-JHJVBQTASA-N 355.460 0.721 0 40 FCAB O=C([C@@H]1Cc2ccccc2O1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14252418 LLYOSDGKZYGZMH-ZBFHGGJFSA-N 350.440 0.321 0 40 FCAB COc1cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cc(OC)c1C 22665395 OAWWPXWRKPFVCB-UHFFFAOYSA-N 364.398 0.893 0 40 FCAB CNS(=O)(=O)c1ccc(CCC(=O)NCCCN2CCOCC2)cc1 22688199 NXQJQPBZUOSLMV-UHFFFAOYSA-N 369.487 0.366 0 40 FCAB Cn1c(=O)c2ccc(C(=O)NCCOc3ccccc3)nc2n(C)c1=O 25646313 LMMBMNOQUHCZJG-UHFFFAOYSA-N 354.366 0.441 0 40 FCAB CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(CCN1CCOCC1)C2=O 35333110 SMUVXESYXJECNU-QGZVFWFLSA-N 356.426 0.811 0 40 FCAB CCN1CCN(c2ccccc2NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 40049379 FSXBQFQPULDNHV-UHFFFAOYSA-N 357.414 0.317 0 40 FCAB Cc1ccccc1CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 40162146 CRRNLRBDUVYPTQ-AWEZNQCLSA-N 363.439 0.777 0 40 FCAB OCCN(CCO)C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2 41689955 MDEDMQVBEKRZOT-GSBYPIHSSA-N 357.491 0.636 0 40 FCAB COCCCNC(=O)Cn1c(=O)n(CCCOC)c(=O)c2ccccc21 44840946 RETSTPYMNFXYGC-UHFFFAOYSA-N 363.414 0.352 0 40 FCAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCc1c(F)cccc1F 52995789 VGKLSGCYKULLRC-NSHDSACASA-N 374.409 0.659 0 40 FCAB Cc1nc(C)c(CC(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(=O)[nH]1 53352099 SVLHSAGKFHPPIN-UHFFFAOYSA-N 369.425 0.745 0 40 FCAB Cc1nc(N(C)C)nc(NC2CCN(c3cc(=O)[nH]c(N)n3)CC2)c1C 65396769 HVROWJFHMDMOCM-UHFFFAOYSA-N 358.450 0.906 0 40 FCAB CC(=O)N1CCN(C[C@@H](CC(=O)Nc2ccc(Cl)nc2)C(=O)O)CC1 72403507 MGJVIEKMGNHPHJ-GFCCVEGCSA-N 368.821 0.929 0 40 FCAB O=S(=O)(Cc1ccccc1)N1CCC(O)(CN2CCOCC2)CC1 95459917 XVULSTJPQJGAOG-UHFFFAOYSA-N 354.472 0.676 0 40 FCAB COC(=O)CN1CC2(CCNCC2)COc2ccccc2S1(=O)=O 96145218 BKRHTNKEQRVXIT-UHFFFAOYSA-N 354.428 0.613 0 40 FCAB CN(C)CCn1cnc2nnc3ccc(C(=O)N4CCN(C)CC4)cc3c21 96264259 CGHLDRFXFPLOOG-UHFFFAOYSA-N 367.457 0.929 0 40 FCAB Cc1n[nH]c(-c2ccc(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)cc2)n1 101666124 CQYGGBBXBHDQSZ-CQSZACIVSA-N 363.443 0.838 0 40 FCAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CN1CC[C@H](S(N)(=O)=O)C1 101803207 BNLDEBVNZPPWPD-XUWVNRHRSA-N 358.504 0.719 0 40 FCAB Cc1cc(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)n[nH]1 225750446 UKCDTZKWTPHWNL-UHFFFAOYSA-N 369.491 0.475 0 40 FCAB COC(=O)COc1ccc(S(=O)(=O)NCCO)cc1Br 226686400 UZDACGBHYPMWTK-UHFFFAOYSA-N 368.205 0.272 0 40 FCAB Cc1cnc(NCC[C@H]2CCOC23CN(S(=O)(=O)N(C)C)C3)nc1 247957530 PEGVKYGOUSKXNU-ZDUSSCGKSA-N 355.464 0.484 0 40 FCAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)CNS(C)(=O)=O)n1 257211083 BXLPGZNZNUWKDN-ZDUSSCGKSA-N 355.464 0.059 0 40 FCAB O=C(CCCN1C(=O)CNC1=O)N1CCC[C@](O)(CN2CCCC2)CC1 257213979 CJXRYJIEEKRSAR-GOSISDBHSA-N 366.462 0.158 0 40 FCAB CCCCN(C)C[C@@H]1OC[C@H](NS(=O)(=O)Cc2ccccc2)[C@H]1O 514289623 XBAFBIXGFXCEIE-YESZJQIVSA-N 356.488 0.966 0 40 FCAB biogenic,in-vitro CCN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1cc(Cl)ccc1C 575425039 DJYNGOSHAWZBGA-VXGBXAGGSA-N 367.876 0.817 0 40 FCAB COCCN1CC2(CCC1=O)CCN(C(=O)Cn1ccccc1=O)CC2 1565544436 KOVZYMVNHRDYHR-UHFFFAOYSA-N 361.442 0.726 0 40 FCAB Cn1cc(-c2ncnc3c2CN(C(=O)c2cccn(C)c2=O)CC3)cn1 1565555827 QIQCIHFKSOUEKY-UHFFFAOYSA-N 350.382 0.774 0 40 FCAB COc1cc(OC)nc(N2CCOC[C@@]3(CC(=O)N(C(C)C)C3)C2)n1 1614945855 LHVYZBOIRDRAMK-KRWDZBQOSA-N 350.419 0.958 0 40 FCAB CCN1C(=O)[C@H]2CN(C(=O)c3nccs3)CCN2C12CCOCC2 1772595387 RQNCJHYDKRZHDZ-GFCCVEGCSA-N 350.444 0.638 0 40 FCAB Cn1nccc1C(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4C)C[C@H]2C1 1888899205 HYBLLTHSNXTWTC-RYUDHWBXSA-N 352.402 0.305 0 40 FCAB O=C(Cn1c(=O)oc2ccccc21)NCC1(O)CSCCSC1 1888921823 UKOBQEAFHJBFSI-UHFFFAOYSA-N 354.453 0.922 0 40 FCAB COc1ccc2c(c1)[n+]([O-])c(S(=O)(=O)c1ccc(C)cc1)c(N)[n+]2[O-] 1616540 QVWHZSLTYIXYMZ-UHFFFAOYSA-N 361.379 0.839 0 40 FCAB Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(N)=O)c1 4030371 MEHUEZJTAFKALX-UHFFFAOYSA-N 372.410 0.121 0 40 FCAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)N2CCc3ccccc32)n(C)c1=O 6552312 GBFXTEDQXLPLCR-UHFFFAOYSA-N 373.800 0.676 0 40 FCAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CCCC2)c1 7525395 HXTUBZDLHCAZSW-UHFFFAOYSA-N 353.444 0.726 0 40 FCAB COC(=O)C1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 8939075 QAWNYPMBHMZPHI-KZULUSFZSA-N 365.430 0.899 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 12086965 FXIIPUVVLMLQGL-CQSZACIVSA-N 371.393 0.726 0 40 FCAB C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)Cc1ccc2c(c1)OCO2 14094130 IAQACBXBBWIAOC-SNVBAGLBSA-N 374.397 0.098 0 40 FCAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCNC(=O)c2ccco2)C1=O 14241704 GDKXIMOCDDFLDB-GOSISDBHSA-N 370.365 0.898 0 40 FCAB O=C(C1CC1)N1CCC(O)(Cn2nnc(-c3ccc4c(c3)OCO4)n2)CC1 19346408 XOZPUPCJDBKXNA-UHFFFAOYSA-N 371.397 0.832 0 40 FCAB CCCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCN(C)CC1 22795185 CUEWNVOFSDUUGV-QGZVFWFLSA-N 362.474 0.626 0 40 FCAB Cc1cc(NC(=O)CCN2CCN(C(=O)N3CCOCC3)CC2)no1 24252055 WVYRUAVCAVUWII-UHFFFAOYSA-N 351.407 0.381 0 40 FCAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 25107087 JQBOIGWHYPDAGZ-GFCCVEGCSA-N 357.414 0.785 0 40 FCAB biogenic NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCCC2)cc1 58203295 KVGKJAGZYQJMEQ-HNNXBMFYSA-N 365.455 0.951 0 40 FCAB C[S@](=O)Cc1cccc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 69598923 MZWZTKIDXZYFGM-JLCFBVMHSA-N 358.485 0.719 0 40 FCAB COc1ccc2c(ccn2CCNC(=O)CNC(=O)c2cnccn2)c1 72404838 SKHUPLZJQPWYAM-UHFFFAOYSA-N 353.382 0.986 0 40 FCAB O=C(NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O)N1CCOCC1 77264989 JFXHQOUYBPUBNM-MCIONIFRSA-N 363.405 0.324 0 40 FCAB biogenic,in-vitro COC(=O)c1ccc(N2CCN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC2)cc1 77408054 LTKSIBOUSMCMPT-INIZCTEOSA-N 357.414 0.415 0 40 FCAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H]([C@@H](C)O)C3)C2=O)cc1 96003349 WAVQPBUYCLCFRD-TYILLQQXSA-N 359.426 0.991 0 40 FCAB O=C(c1cccnc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224321127 SXDDHZIEOZGZOB-UHFFFAOYSA-N 354.414 0.671 0 40 FCAB O=C(CCS(=O)(=O)c1ccccc1)N1CC(N2C(=O)CSC2=O)C1 225695342 VSRNBICLEURCRX-UHFFFAOYSA-N 368.436 0.757 0 40 FCAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)NCCC(=O)NC)cc2NC1=O 252498901 RPPALPFRKTYBDQ-AWEZNQCLSA-N 369.443 0.991 0 40 FCAB Cc1cc([C@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)nc(C)n1 257277848 NZSZXHJUYYLJFY-MRXNPFEDSA-N 354.476 0.891 0 40 FCAB CN([C@H](C(=O)NCCCN1CCOCC1)c1ccccc1)S(C)(=O)=O 260845691 VWWKMOZSBMBVHG-INIZCTEOSA-N 369.487 0.458 0 40 FCAB CN(C)c1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1F 524465555 HLBNXKYHOQPQGD-CQSZACIVSA-N 369.462 0.837 0 40 FCAB O=C(O)c1ccc(S(=O)(=O)NCC(=O)N2C[C@H]3CCC[C@H]3C2)cc1 539568736 BHZOVZZWKBFUCZ-BETUJISGSA-N 352.412 0.922 0 40 FCAB Cc1sc(C(=O)O)cc1S(=O)(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 568007533 PVDKNGPXSWXGLZ-IUCAKERBSA-N 360.413 0.033 0 40 FCAB COc1cc(=O)n(C)cc1C(=O)NCc1nccnc1-c1cnn(C)c1 575620263 RSJZCCVQRBRXIZ-UHFFFAOYSA-N 354.370 0.514 0 40 FCAB Cc1cn2nc(N[C@@H]3CCN(C(=O)CCc4ccnn4C)C3)ccc2n1 583002656 RSPHKGCKLBKKMB-CQSZACIVSA-N 353.430 1.417 0 40 FCAB Cn1cnc(C(=O)N2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)c1 585094055 QWBMKGUAJJJPSH-SQWLQELKSA-N 355.398 0.332 0 40 FCAB Cn1nccc1C(=O)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1ccccn1 585105507 YLBJNLINHUQMJT-FZKQIMNGSA-N 355.398 0.472 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)Cc3ccc(F)c(F)c3)C2)C1 685941248 BDSXIURSNZXYOK-LLVKDONJSA-N 351.353 0.313 0 40 FCAB COc1cc(C(=O)N2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)on1 1565544837 SRECFWKXFDWUEU-UHFFFAOYSA-N 355.416 0.760 0 40 FCAB COCC(=O)N[C@@H]1CN(C(=O)N(C)CC(C)C)C[C@H]1c1nccn1C 1615552363 NFOGNOBUMDRYGB-ZIAGYGMSSA-N 351.451 0.658 0 40 FCAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccc(O)nn5)C[C@H]4C3)n1)CCC2 1888869693 QIKWVLAEYKJYPN-BETUJISGSA-N 366.425 0.978 0 40 FCAB Cn1cc(CN2CCC(C(=O)N=c3ccn(C)[nH]3)(n3cccn3)CC2)cn1 2055713344 CRCDUIFIIVBLRH-UHFFFAOYSA-N 368.445 0.402 0 40 FCAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCCC2)C1=O 7560453 VYEFVRUKRDUXPV-GOSISDBHSA-N 359.382 0.891 0 40 FCAB O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 7943109 MQSYEPCIXACNHY-UHFFFAOYSA-N 362.411 0.058 0 40 FCAB Cc1cccc2nc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)cc(=O)n12 11476192 ZJHFBDJIXVAIIM-UHFFFAOYSA-N 374.422 0.463 0 40 FCAB CCN1CCN(C(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)CC1 12025713 RDLFXDZVTIKZCB-UHFFFAOYSA-N 351.428 0.531 0 40 FCAB COC(=O)C1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)CC1 12422777 SMHXPVRUYVVFHI-UHFFFAOYSA-N 365.411 0.324 0 40 FCAB CCOC(=O)c1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 12851212 AZBJCKOALHOGTG-LBPRGKRZSA-N 350.371 0.933 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)OC)CC2)ccc1OC 12896465 CVJPOPNLRMVFHR-UHFFFAOYSA-N 370.427 0.629 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)C2CCN([C@@H]3CCOC3=O)CC2)cc1 14074637 KYIUMTODKOMLFN-CQSZACIVSA-N 367.427 0.300 0 40 FCAB O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1cccc2nsnc12 23094500 FBTXYIPUQPEGHT-UHFFFAOYSA-N 374.470 0.526 0 40 FCAB CN(CC(=O)OCc1cccc(S(=O)(=O)N(C)C)c1)c1ncccn1 23199503 MYINATVCJFAPNS-UHFFFAOYSA-N 364.427 0.907 0 40 FCAB COC(=O)[C@@H](C)N(C(=O)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 32641364 QXUBNKIWNCCCMV-BXUZGUMPSA-N 357.403 0.945 0 40 FCAB Cc1nn(C)c(C)c1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 40057683 UHPZSQIMZUSSRT-UHFFFAOYSA-N 354.418 0.676 0 40 FCAB CNC(=O)CN1CCC(NC(=O)NCC(=O)Nc2cccc(F)c2)CC1 51271252 XJAOQXPWCCUOSQ-UHFFFAOYSA-N 365.409 0.274 0 40 FCAB CCN(CC(=O)NC)S(=O)(=O)c1ccc(N2CCCC2=O)cc1C 58192879 IFCPCPWCHFGQCA-UHFFFAOYSA-N 353.444 0.878 0 40 FCAB O=C(CN1CCOCC1)N1CCC[C@H](c2nccnc2-n2ccnc2)C1 72350676 WYGTVMSGASIIFO-HNNXBMFYSA-N 356.430 0.701 0 40 FCAB CCOc1ccc(OCCNC(=O)CN2CC[C@@H](NC(N)=O)C2)cc1 95447669 VDPUCBAZCDALRB-CYBMUJFWSA-N 350.419 0.323 0 40 FCAB CN(C)C(=O)COC[C@@H]1CN(Cc2nccs2)Cc2nnn(C)c21 96060697 HDFDGPPQEAEJBS-NSHDSACASA-N 350.448 0.476 0 40 FCAB CCN1CCN(C[C@@H](C)CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 97001903 TXNHXGJQNHPVGG-AWEZNQCLSA-N 372.469 0.916 0 40 FCAB COc1ccc(CN(C(C)=O)[C@H](C)C(=O)NCCN2CCOCC2)cc1 222975163 DQLGVOHHRYMGLF-OAHLLOKOSA-N 363.458 0.881 0 40 FCAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)CCc1ccnn1C 257296717 REBSRAPMRUCTQS-GOSISDBHSA-N 358.446 0.633 0 40 FCAB Cc1ccnc(O[C@@H]2CN(S(=O)(=O)N(C)C)Cc3ccnn3C2)n1 306139494 SYRKDWAKLWADFQ-CYBMUJFWSA-N 352.420 0.051 0 40 FCAB COc1ccc(C(=O)CN(CCO)[C@H]2CCS(=O)(=O)C2)cc1OC 575420328 ASYKSLUFNOLMLN-ZDUSSCGKSA-N 357.428 0.368 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1ccnc(F)c1)C2 585101703 ZGKZETXRXBIWBH-SFHVURJKSA-N 372.404 0.518 0 40 FCAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCOCCN1 615490217 RFXMWRRJTKNLLA-MRXNPFEDSA-N 367.471 0.592 0 40 FCAB C[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cncc(Br)c1 624284946 FPQHKZNCBOWWNU-SECBINFHSA-N 363.281 0.985 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Oc2ncc(Br)cn2)CC1 1251072455 VIUNTSKIQBRUBG-UHFFFAOYSA-N 365.253 0.889 0 40 FCAB O=C(NC[C@@H]1OC[C@@H]2CN(C(=O)c3cc[nH]n3)CC[C@@H]21)c1ccncc1 1565546127 WBAMUSUCKKBHCX-DZKIICNBSA-N 355.398 0.712 0 40 FCAB CSCC[C@H](O)CNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 1775967206 IMDDJUUASMSQIO-ZDUSSCGKSA-N 370.496 0.914 0 40 FCAB O=C1CC[C@@H](C(=O)N2CCC(COc3ccc4nccn4n3)CC2)CN1 1888846807 UDKFWVLBHITEKR-CQSZACIVSA-N 357.414 0.873 0 40 FCAB CC(=O)c1cc(C(=O)N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)n[nH]1 2055747750 SZIPORXLCZBIPC-IAGOWNOFSA-N 373.413 0.943 0 40 FCAB COC(=O)c1ccc(OCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 1095796 KKCYEOYMIXGINN-UHFFFAOYSA-N 358.354 0.299 0 40 FCAB CCOc1ccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 5837296 ZMDQBIXNYNACAD-LBPRGKRZSA-N 371.411 0.554 0 40 FCAB C[C@]1(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)CCS(=O)(=O)C1 7784139 TUZALUZPRVSZHO-IUMDCYBTSA-N 371.455 0.618 0 40 FCAB Cn1c(=O)n(CCC(=O)N2CCN(c3ncccn3)CC2)c2ccccc21 10823186 JHFHDXDUGBIGRB-UHFFFAOYSA-N 366.425 0.869 0 40 FCAB Cc1ccnc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 12606004 CFDQFVFPXFKONB-NSHDSACASA-N 350.400 0.494 0 40 FCAB CCN(CC)S(=O)(=O)N1CCc2nc([C@H]3CCCN3)nc(NC)c2C1 19711587 AUSFURWRHFPTBE-CQSZACIVSA-N 368.507 0.888 0 40 FCAB O=C(Cn1ccnc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 29594414 YZPJRGBOBQMTIJ-UHFFFAOYSA-N 352.391 0.555 0 40 FCAB CN(Cc1nnc2n1CCC2)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 32902727 QSSNSYUGRYVPII-UHFFFAOYSA-N 363.399 0.376 0 40 FCAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)NC1CC1 32954665 RHAKQHUKEZBVHJ-OAHLLOKOSA-N 354.428 0.811 0 40 FCAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375093 AWHPEGKWPUMIRZ-CPGLOBMBSA-N 370.409 0.081 0 40 FCAB O=C(Cc1nc2ncccn2n1)NCc1cccnc1N1CCOCC1 45882577 CPPGOOOTZMAGTP-UHFFFAOYSA-N 353.386 0.215 0 40 FCAB C[C@@H]1CN(S(=O)(=O)CCn2c(=O)[nH]c3ccccc3c2=O)C[C@@H](C)O1 46565002 QBOPASWNIPPDCN-VXGBXAGGSA-N 367.427 0.129 0 40 FCAB CC(=O)N1CSC[C@@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 58157250 PCGFUEXVHBGOCZ-GFCCVEGCSA-N 368.459 0.279 0 40 FCAB O=C(CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 65499775 ZDZDLTSEUBDSJJ-HZSPNIEDSA-N 370.858 0.863 0 40 FCAB CC(C)c1ccc(CN2CCC[C@@](O)(CNCc3n[nH]c(=O)[nH]3)C2=O)cc1 67489620 FRDHZMXGNGOUNX-LJQANCHMSA-N 373.457 0.865 0 40 FCAB CN(C)CCNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72325858 BKKNNGBBLLIUOS-IBGZPJMESA-N 373.457 0.229 0 40 FCAB Cc1nc(CN2CCN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)CC2)n[nH]1 76017400 WRUYKLUBCFPLRU-QGZVFWFLSA-N 364.494 0.944 0 40 FCAB COc1ccc(-n2nnc(C(=O)Nc3ccc(-n4cnnn4)cc3)n2)cc1 77100302 NCYCFXPABDVERZ-UHFFFAOYSA-N 363.341 0.899 0 40 FCAB CC1CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 84698031 BPBZZVWXWBOAMW-HZPDHXFCSA-N 358.504 0.913 0 40 FCAB CCc1nn(C)cc1NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 91156652 UQIMAVXLMORQHA-JTQLQIEISA-N 368.463 0.638 0 40 FCAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 101712383 LCARHFBRMFETSR-FQUUOJAGSA-N 365.455 0.480 0 40 FCAB COc1cccc(CN2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C(=O)O)CC2)c1 222424570 BGWXNYCWNDJRBT-MLHJIOFPSA-N 372.421 0.994 0 40 FCAB COc1ncccc1C(=O)N1CC2(C1)OCC[C@H]2CCNS(C)(=O)=O 247826222 FXDHSQIERHUWMY-GFCCVEGCSA-N 369.443 0.261 0 40 FCAB NC(=O)NCCC[C@@H](NC(=O)COc1ccc2c(c1)C(=O)CC2)C(=O)O 256027886 IDQUUZLKISKNCR-CYBMUJFWSA-N 363.370 0.212 0 40 FCAB CN(C)c1nccnc1[C@H]1CN(C(=O)c2cnn3cccnc23)CCO1 257267639 MIFLWEUFPWCQLV-CYBMUJFWSA-N 353.386 0.799 0 40 FCAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(S(C)(=O)=O)C3)ccnc12 257342302 ZOBDANIGUQDKHO-NSHDSACASA-N 351.432 0.570 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2C[C@H]3CC[C@H]2[C@@H](CO)C3)C1 661181267 LPOGZQPUWXLQKV-YJNKXOJESA-N 374.507 0.060 0 40 FCAB O=C(NC1CC1)c1nnc2n1CC[C@@H]1CN(C(=O)CC3(O)CCC3)C[C@@H]21 1565555436 AIKUEWLOCKOBHS-DGCLKSJQSA-N 359.430 0.421 0 40 FCAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)Cn5cncn5)C[C@@H]4C3)n1)CCC2 1888869989 IEIHCCPZRBDYTB-ZIAGYGMSSA-N 353.430 0.460 0 40 FCAB c1nc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c2nc[nH]c2n1 1889211590 NQUIXCDTJIJMGJ-UHFFFAOYSA-N 367.417 0.306 0 40 FCAB Cn1cc(Br)c(C(=O)N2CCN(c3ncccn3)CC2)n1 2778052 NJGOQLYHTUXKQA-UHFFFAOYSA-N 351.208 0.935 0 40 FCAB CCOC(=O)C1CCN(C(=O)CCn2c(=O)[nH]c3ccccc3c2=O)CC1 4004997 PPSLMHZTGYWONF-UHFFFAOYSA-N 373.409 0.882 0 40 FCAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCO 6467774 PCASRCMVVRQZAI-QMMMGPOBSA-N 351.222 0.224 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2nc3nccc(C)n3n2)c2ccccc2O1 12852636 GIHMLEKZCCSALG-CYBMUJFWSA-N 352.354 0.587 0 40 FCAB Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1F 12900098 QEDNEUOKQDXCPC-VXGBXAGGSA-N 354.403 0.790 0 40 FCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCOCC1 16642810 SLFSGZCVPLQDRZ-UHFFFAOYSA-N 370.427 0.189 0 40 FCAB CC(C)CNC(=O)CN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 22931312 POWQKNDCUTUSKX-UHFFFAOYSA-N 357.458 0.813 0 40 FCAB CC(C)CNC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1 32094454 FKHHZELKNQRATA-AWEZNQCLSA-N 353.444 0.338 0 40 FCAB CN(C)CC(=O)N1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 40121099 PCBOSNABHMWUOT-UHFFFAOYSA-N 374.363 0.869 0 40 FCAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1sc2c(c1C(N)=O)CCC2 44357022 JLLYSJBEDQDWGE-VIFPVBQESA-N 357.457 0.698 0 40 FCAB Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 44456576 ONUGYGLHDYCHQJ-ZIAGYGMSSA-N 350.440 0.899 0 40 FCAB O=C(O)c1nccnc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 71286214 GIQWSWBWTPLWDC-UHFFFAOYSA-N 362.367 0.967 0 40 FCAB CCOC(=O)C[C@@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CC1 95450066 OBWPMDSVNZKETD-CYBMUJFWSA-N 368.411 0.759 0 40 FCAB CNC(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(c1ncc(F)cn1)C2 96251103 PEJUBDMDWSTYFZ-CXAGYDPISA-N 357.393 0.627 0 40 FCAB O=C1C[C@@H](N(C(=O)CN2C(=O)CSc3ccccc32)C2CC2)C(=O)N1 104111077 QWGFBHQAHKLCHW-GFCCVEGCSA-N 359.407 0.531 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@H](C)C(=O)O)cc1 108359006 JVRJACDJFFPYDD-JSGCOSHPSA-N 354.428 0.985 0 40 FCAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217466346 OPICRQOFCVNZJA-GFCCVEGCSA-N 358.416 0.900 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 247899799 VTKFJXWTHNXJPM-NRTGNBEESA-N 355.394 0.560 0 40 FCAB O=C(C1CN(C2CCCCC2)C1)N1CC[C@](O)(CN2CCOCC2)C1 257243752 IIKWJENYOIUQNE-IBGZPJMESA-N 351.491 0.547 0 40 FCAB O=S(=O)(Cc1ccccc1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257336754 YPWKONFOELSRQQ-BRWVUGGUSA-N 354.472 0.720 0 40 FCAB CN(CC(=O)O)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 261874056 QYJJOPDDUABKFO-UHFFFAOYSA-N 354.306 0.684 0 40 FCAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 408605198 MYXVZMYKOUYZNG-AWEZNQCLSA-N 369.487 0.915 0 40 FCAB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1OCC(N)=O 409126051 APNWOMHWZFYIGH-VZUCSPMQSA-N 366.351 0.680 0 40 FCAB CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 566496082 OQRACJBDUJHCFG-DOMZBBRYSA-N 365.455 0.037 0 40 FCAB Cn1ccc(C(=O)N2Cc3cccn3C[C@@H](CCNS(C)(=O)=O)C2)n1 585095523 VDVYHHZUXACVCP-CYBMUJFWSA-N 365.459 0.433 0 40 FCAB Cn1nccc1C(=O)N1CC[C@@H]2C[C@@H](C(=O)Nc3cnccn3)O[C@H]2C1 585108897 CKXMMNMMWHZPKE-XBFCOCLRSA-N 356.386 0.468 0 40 FCAB CCN1C(=O)C[C@H](C(=O)N2CCn3ncnc3C2)[C@H]1c1cnn(C)c1C 613602369 KPKDERPJPYFYRX-LRDDRELGSA-N 357.418 0.272 0 40 FCAB Cn1nnc2c(C(=O)N3CCC(n4cc(C(=O)O)cn4)CC3)ccnc21 630191889 MAFYJGSSWZAPFK-UHFFFAOYSA-N 355.358 0.735 0 40 FCAB COC[C@@]1(C(N)=O)CCCN1S(=O)(=O)c1ccc2c(c1)CCCO2 643703110 LBUORPLIZLANPF-MRXNPFEDSA-N 354.428 0.667 0 40 FCAB C[C@](NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)(C(=O)O)c1ccccc1 663142508 VQKJMRWTWYUWOI-BKMTZPSRSA-N 372.377 0.265 0 40 FCAB CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)Cc3nc[nH]n3)c2)n1 1634448401 ASCYMAYOBMZKCS-UHFFFAOYSA-N 355.358 0.625 0 40 FCAB Cn1cc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)cn1 1888899220 NAJAMWMFRYVGCO-STQMWFEESA-N 352.402 0.305 0 40 FCAB Cc1ccn(-c2ccc(N3CCN(c4ncnc5[nH]cnc45)CC3)nn2)n1 1889224928 LXJYMTHWOYBICC-UHFFFAOYSA-N 362.401 0.964 0 40 FCAB Cc1ccc(-c2nnn(CC(=O)Nc3ccc(-n4cnnn4)cc3)n2)o1 797033 JRPPQXFRZZQPLK-UHFFFAOYSA-N 351.330 0.856 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(=O)O)C2)cc1 6645527 APBXBIDTOFOEDC-GFCCVEGCSA-N 370.427 0.687 0 40 FCAB CN(C(=O)c1cnccn1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 6648560 DTOBSUVAROUJBV-UHFFFAOYSA-N 352.354 0.234 0 40 FCAB CC(C)c1ccc(CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 14116281 XUMZWYMRTXVFFQ-UHFFFAOYSA-N 365.455 0.728 0 40 FCAB C[C@H](O)[C@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(Cl)cc3)CCN2C1=O 14543194 URTSKTZPDXEVML-ZWKOPEQDSA-N 367.789 0.231 0 40 FCAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)C3=NNC(=O)CC3)ncc2C1 19018434 OJVXVUZYZCUQLG-OAHLLOKOSA-N 370.413 0.311 0 40 FCAB CCN1CCN(C2=NC(=O)C[C@H](C(=O)Nc3ccc(C(C)=O)cc3)N2)CC1 19528112 CCTQOEPCQCMISU-MRXNPFEDSA-N 371.441 0.710 0 40 FCAB Cc1ccc(C)c(N(CC(=O)NCCCN(C)C)S(=O)(=O)N(C)C)c1 20244978 FJFXBCDFUCGQAO-UHFFFAOYSA-N 370.519 0.984 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)CCn2ccc3ccccc32)CC1 25208783 WLXUYSCMRPWWJB-UHFFFAOYSA-N 364.471 0.982 0 40 FCAB Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCOCC2)cc1 26970053 XHHSSJMJYFOMEI-CQSZACIVSA-N 356.469 0.917 0 40 FCAB CCN1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)CC1 36289241 HYTCRTLHBRWHPC-UHFFFAOYSA-N 356.444 0.873 0 40 FCAB Cc1ccc(S(N)(=O)=O)c(C(=O)NCC(=O)NC2CCCCC2)c1 89611919 IFXZWOIEEDINGH-UHFFFAOYSA-N 353.444 0.821 0 40 FCAB Cc1ccc(Cl)cc1S(=O)(=O)N1CC(n2cc(C(N)=O)nn2)C1 96000450 CRWUTILDJIOWAL-UHFFFAOYSA-N 355.807 0.584 0 40 FCAB Cc1nnc(NC[C@H]2CO[C@]3(COCCN(C(=O)NC4CC4)C3)C2)o1 96078516 XSSKSIXDDJFUMB-BLLLJJGKSA-N 351.407 0.769 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3cnccn3)C2)CC1 225471168 YGPRJQMKLPYHQS-CQSZACIVSA-N 368.459 0.518 0 40 FCAB Cc1ccoc1C(=O)N1Cc2cncn2[C@H](CCNS(C)(=O)=O)C1 253477896 IBFVMTBTEVTTGZ-GFCCVEGCSA-N 352.416 0.921 0 40 FCAB Cc1ccccc1CC(=O)N1CC[C@]2(Cc3nn(C)c(=O)c(=O)n3C2)C1 306142355 WWUDGLURJFASCE-IBGZPJMESA-N 354.410 0.268 0 40 FCAB CN(CC1CC1)S(=O)(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 331494613 NHIIDXXEZXFOMW-STQMWFEESA-N 353.510 0.271 0 40 FCAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@](COC(C)=O)(O3)[C@@H]2C1=O 409304227 KPMITKPEJOUTFF-QZNHQWIBSA-N 371.345 0.849 0 40 FCAB CN(C)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)O)[C@@H](C(=O)O)C2)c1 559136448 QWHVWYCYGSGEFY-STQMWFEESA-N 356.400 0.549 0 40 FCAB CN(C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 575422929 DLCXCBNKKGNXHT-LLVKDONJSA-N 352.865 0.994 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)N1CC(N2C(=O)[C@H]3C[C@@H]3C2=O)C1 585387931 TWGLGQRKVYUJIC-QWRGUYRKSA-N 354.359 0.212 0 40 FCAB O=C1CN(C(=O)Cn2cnc3c(C(F)(F)F)cccc3c2=O)CCN1 634538391 ORCICALIHIFXBQ-UHFFFAOYSA-N 354.288 0.374 0 40 FCAB NC(=O)C1(C(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)CC1 647015853 WMPMBLWUGCYGFN-JTQLQIEISA-N 352.188 0.546 0 40 FCAB COc1cc(CC(=O)N[C@H](CO)[C@@H](O)c2ccccn2)cc(OC)c1O 1643485480 VNOUGATZSKCFEM-DYVFJYSZSA-N 362.382 0.558 0 40 FCAB Cc1cc2c(N3C[C@H]4CN(c5cc(=O)n(C)c(O)n5)C[C@@H]4C3)nccn2n1 1888875718 KXUZSZSFOVIPKD-CHWSQXEVSA-N 367.413 0.410 0 40 FCAB Cc1ccc(OC[C@H](O)Cn2c(N)nc3c2c(=O)n(C)c(=O)n3C)cc1C 4371008 JAZDOAIIEMVDOK-GFCCVEGCSA-N 373.413 0.073 0 40 FCAB COc1cc(C(=O)O)cc(I)c1OCC(N)=O 7604173 IOCFEGJDDOMQBD-UHFFFAOYSA-N 351.096 0.862 0 40 FCAB CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 8726045 IPMKXBRMDGXRDH-UHFFFAOYSA-N 360.457 0.162 0 40 FCAB CCOC(=O)CN1C(=S)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 8990544 HKGBSDBFJWQREB-QWHCGFSZSA-N 354.453 0.822 0 40 FCAB CCCN(C(=O)c1nc2nc(C)cc(C)n2n1)[C@H]1CCS(=O)(=O)C1 12766918 XRNSGABBGIZNAL-LBPRGKRZSA-N 351.432 0.780 0 40 FCAB CN1CCN(C(=O)CN2CCN(C(=S)NC3CCCC3)CC2)CC1 13734108 GEOSJXNNEDHCHT-UHFFFAOYSA-N 353.536 0.195 0 40 FCAB CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)NC2CCCCC2)[C@@H](O)[C@H]1O 15675189 WARQMWJMLUZSRS-LQKXBSAESA-N 357.451 0.022 0 40 FCAB biogenic,in-vitro COCCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)SCC2 16837349 MUDQNVHPNUKBEN-UHFFFAOYSA-N 371.484 0.489 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NC(C)C)cc1 22228086 XONAJWJNRYTCIG-UHFFFAOYSA-N 369.487 0.900 0 40 FCAB Cc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c(N2CCOCC2)n1 49411092 YOFRPCGWPQXAPJ-UHFFFAOYSA-N 372.381 0.756 0 40 FCAB CN(CC(=O)NC(C)(C)C)C(=O)Cn1nc(-c2cccs2)oc1=O 58361998 PTGPIFRMWWTMDS-UHFFFAOYSA-N 352.416 0.938 0 40 FCAB CC(C)NC[C@H]1O[C@H](Cc2cc(CN3CCOCC3)on2)CC[C@@H]1O 77263510 VIQGCOOZUYJDBX-RYQLBKOJSA-N 353.463 0.956 0 40 FCAB biogenic,in-vitro Cn1cc(N2CC[C@@H](NC(=O)c3cccnc3OCC(F)F)C2=O)cn1 89811656 OFYVFMVPKZFULI-GFCCVEGCSA-N 365.340 0.994 0 40 FCAB COC(=O)c1ccc(S(=O)(=O)N2CCc3c(nc[nH]c3=O)C2)c(C)c1 96012534 GZAMAPCSSORFJY-UHFFFAOYSA-N 363.395 0.612 0 40 FCAB Cn1cc(C(=O)N2CCC(n3c(O)nc4ccc(F)cc4c3=O)CC2)nn1 238848905 IZMQVDQRAMBKEF-UHFFFAOYSA-N 372.360 0.847 0 40 FCAB O=C(CN1Cc2ccccc2C1=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257244682 IMIZGFRGTGZCFI-ROUUACIJSA-N 373.453 0.327 0 40 FCAB Cc1ccccc1S(=O)(=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257296673 RDVOTIVPKISUQY-HOTGVXAUSA-N 354.472 0.841 0 40 FCAB CCc1cc(C(=O)N2CCOC[C@@H]2c2[nH]ncc2S(C)(=O)=O)no1 257336618 YPGAYUVSNKHPMJ-LLVKDONJSA-N 354.388 0.577 0 40 FCAB CN([C@H](C(=O)N1CCC(C(N)=O)CC1)c1ccccc1)S(C)(=O)=O 260746023 QJCPSVGNTWSELO-AWEZNQCLSA-N 353.444 0.343 0 40 FCAB CCn1cnc2c(N3CCN(c4ccc5nncn5n4)CC3)ncnc21 264506321 KWAQSSPMKIHWQG-UHFFFAOYSA-N 350.390 0.611 0 40 FCAB NC(=O)c1cncc(NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 537767538 WDSIZROZLXGTNC-UHFFFAOYSA-N 374.832 0.990 0 40 FCAB O=C(O)c1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3CCC[C@H]3C2)cc1 539568741 BHZOVZZWKBFUCZ-STQMWFEESA-N 352.412 0.922 0 40 FCAB C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Nc1ccc(N2CCOCC2)cn1 584035923 KJSQSEDKXQAFRL-GDBMZVCRSA-N 363.462 0.837 0 40 FCAB CC(=O)N1C[C@H](O)C[C@@H](NCc2ccc(OCCN(C)C)cc2)[C@H](O)C1 585272153 JJMIGWGRRHXMRP-BHIYHBOVSA-N 365.474 0.059 0 40 FCAB O=C1CCCN1CC(=O)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 585277038 JKSWOSQPKXNOPJ-SFHVURJKSA-N 350.390 0.581 0 40 FCAB Cc1ccccc1N1CCC(O)(CN2C[C@@H]3OCC(=O)N(C)[C@H]3C2)CC1 585284013 QOMXRMHJFWFOLS-ROUUACIJSA-N 359.470 0.868 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(N2C(=O)CSC2=O)CC1 585327285 HKKCEVAWRMFHBM-UHFFFAOYSA-N 372.472 0.885 0 40 FCAB COc1ccc(Cn2cc(C(=O)N3CCO[C@@H](CC(N)=O)C3)cn2)cc1 629400184 PTNGRVZXTBSIRQ-INIZCTEOSA-N 358.398 0.656 0 40 FCAB COc1cnc(C(=O)N2C[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)cn1 2056225016 SRJACEKSWGDYTN-HOTGVXAUSA-N 355.398 0.606 0 40 FCAB CN(C)C(=O)[C@H]1C[C@@]2(CO1)CN(c1cc(C(F)(F)F)ncn1)CCO2 2056226011 HPPZKMIQXRIGGH-YGRLFVJLSA-N 360.336 0.948 0 40 FCAB CC(C)N1CCN(c2ccncc2S(=O)(=O)N2CCN(C)CC2)CC1 1566409 WCFBEFZKMQYXJI-UHFFFAOYSA-N 367.519 0.548 0 40 FCAB CC(C)(CNC(=O)OCc1ccccc1)[C@H](O)C(=O)NCCC(=O)O 1897020 HXNQUXBNTDEWKY-CQSZACIVSA-N 352.387 0.891 0 40 FCAB CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)O 3831283 BPLBGHOLXOTWMN-YRGRVCCFSA-N 350.396 0.697 0 40 FCAB biogenic,investigational COc1cccc(O[C@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@H](O)[C@@H]2NC(C)=O)c1 4559906 KKDNZDNZSHFBCX-ALYAQQCSSA-N 367.398 0.816 0 40 FCAB CCN(CC)C(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(OC)cc1 8849236 PKBYWRMABYCLRV-UHFFFAOYSA-N 373.413 0.434 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 9366396 JBEGHTDVMPUGHR-UHFFFAOYSA-N 372.406 0.429 0 40 FCAB CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 10387046 AIDNCQYCOVANMP-UHFFFAOYSA-N 362.434 0.785 0 40 FCAB CS(=O)(=O)NC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 10416899 HUMBBVAEZLXXBC-UHFFFAOYSA-N 353.400 0.135 0 40 FCAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccccn2)C1=O 11077450 GULDAHSHGLZBQV-SFHVURJKSA-N 368.349 0.737 0 40 FCAB c1ccc([C@@H]2N=C3NCN(n4cnnc4)CN3c3nc4ccccc4n32)nc1 13638307 OHMSMUFBKMOBEI-MRXNPFEDSA-N 372.396 0.902 0 40 FCAB Cn1nc2n(C)c(=O)c3ccc(C(=O)NC4CCCCC4)cc3n2c1=O 23126234 YHHPLJDMXKWIEH-UHFFFAOYSA-N 355.398 0.947 0 40 FCAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)cnc21 29107001 BEWRQXLGUYONCZ-UHFFFAOYSA-N 368.349 0.763 0 40 FCAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCNC(=O)C2)CC1=O 32820549 HQCQRSZXSJFDOW-JTQLQIEISA-N 351.790 0.660 0 40 FCAB Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cn1 48303444 NRKUECYIIXMKPA-UHFFFAOYSA-N 365.411 0.934 0 40 FCAB CC(C)NC(=O)Nc1ccc(CNC(=O)N2CCO[C@@H](C(N)=O)C2)cc1 51687678 BNWASXZKMPJQTK-CQSZACIVSA-N 363.418 0.612 0 40 FCAB CCOc1ccccc1CNC(=O)NCCS(=O)(=O)N1CCOCC1 52144072 SBBNIXGDUDWSFM-UHFFFAOYSA-N 371.459 0.547 0 40 FCAB COCCNC(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57506780 IVBCDCUQVSLXGR-UHFFFAOYSA-N 369.472 0.778 0 40 FCAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(c2ncccn2)CC1 58218087 KYISEVLFJQFTLE-MRXNPFEDSA-N 353.426 0.906 0 40 FCAB Cc1ccc(C)n1-c1c(C(=O)NCCN2CCCS2(=O)=O)cnn1C 61597435 QEFBUEXAWAWEGP-UHFFFAOYSA-N 365.459 0.593 0 40 FCAB COc1ccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@H](O)[C@@H]2NC(C)=O)cc1 101268392 HIJHNNAKJPQRND-BPKGMFCQSA-N 367.398 0.816 0 40 FCAB CCS(=O)(=O)N(C)CC(=O)N1CCN(c2ccccc2OC)CC1 225959427 NKIUIWNTYMRIML-UHFFFAOYSA-N 355.460 0.625 0 40 FCAB CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)c(F)c2)Cc2ccnn21 247913893 APIYZBYOORMUKK-CYBMUJFWSA-N 368.390 0.522 0 40 FCAB CC(=O)N1CC2(C1)CN(CC1CC1)[C@H](C(=O)N(C)Cc1ccccn1)CO2 248153186 YILVLEZMKVCJLV-SFHVURJKSA-N 372.469 0.752 0 40 FCAB Cc1ccc2nc(C(=O)N[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)cn2c1 257243329 IGKOHCSMAMRLAC-QGPMSJSTSA-N 358.442 0.987 0 40 FCAB Nc1nccnc1[C@@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)CCO1 257304773 SNCIEUIRTRPISL-ZDUSSCGKSA-N 351.370 0.853 0 40 FCAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CN(C)[C@@H](C(=O)N(C)Cc1ccccn1)CO2 575404834 DPPXNTKMHCZBJF-DJIMGWMZSA-N 372.469 0.608 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 585096069 ZCDXXJZJEVONCN-ZDUSSCGKSA-N 352.416 0.889 0 40 FCAB COC[C@H]1CC2(CCN(C(=O)c3ccnn3C)CC2)CN1S(C)(=O)=O 585103345 CHJRGJQQDJZMIF-CYBMUJFWSA-N 370.475 0.323 0 40 FCAB O=C1COc2ncc(C(=O)N3CCN(CCc4ccncc4)CC3)cc2N1 636295658 QOKXSPWQVJFOTC-UHFFFAOYSA-N 367.409 0.808 0 40 FCAB CN1CCN([C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(N)=O)C2)CC1 1549998561 ZRMQUTSBKZSIMG-SJORKVTESA-N 359.474 0.114 0 40 FCAB Cn1cnc2c1CCN(C(=O)Cc1ccc(F)cn1)[C@@H]2CN1CCOCC1 1614939005 JKLCTSNLJYVQJT-QGZVFWFLSA-N 373.432 0.955 0 40 FCAB CC(=O)c1cc(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@@H]3C2)n[nH]1 2055747919 ZHRSZQUMQXUYEH-SJORKVTESA-N 355.398 0.733 0 40 FCAB Cn1nnnc1SCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 6610837 RJNKSMAYTHMWAI-UHFFFAOYSA-N 367.456 0.897 0 40 FCAB COCCCN(C(=O)[C@@H]1C[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 10214721 KBNUOFQHSZKOBG-NWDGAFQWSA-N 352.435 0.800 0 40 FCAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC(=O)NC(C)(C)C)C2=O 12614937 APJPBHFLAZDYOA-GTNSWQLSSA-N 352.435 0.518 0 40 FCAB CCOC(=O)c1ccc(NCc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 13216896 SUYJKYQBSWZJRO-UHFFFAOYSA-N 357.370 0.749 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 14161126 JQEHZXKFNGSJTB-ZDUSSCGKSA-N 370.475 0.609 0 40 FCAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cnc3ccccn3c1=O)C2=O 14898988 TVWQQXJPFNUJPZ-UHFFFAOYSA-N 369.381 0.840 0 40 FCAB CC[C@@H]1C(=O)NCCN1C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 19715360 MQZKOEZTUWBBAP-VMBJYNEYSA-N 350.419 0.224 0 40 FCAB COCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 22380478 RVVDACPQRJCXTA-ZDUSSCGKSA-N 370.427 0.374 0 40 FCAB COc1ccc(C(=O)O[C@@H]2C[C@H](C)OC2=O)cc1S(=O)(=O)NC1CC1 39977892 WQTJDUZHYCQBJC-TVQRCGJNSA-N 369.395 0.997 0 40 FCAB C[C@H]1CN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CCO1 48290120 IRAWZGPXSWFHRR-YVEFUNNKSA-N 357.410 0.709 0 40 FCAB CCOC(=O)[C@@H]1CCCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 58014214 BDTKOZIWVVXOFH-KGLIPLIRSA-N 360.410 0.919 0 40 FCAB NC(=O)CN1C(=O)CO[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]21 67897700 NVRNWNJCBJNQPW-OLZOCXBDSA-N 357.332 0.602 0 40 FCAB biogenic,in-vitro COc1cccc(NC(=O)Cn2c(=O)n(CCO)c(=O)c3ccccc32)c1 71282145 NWBQDNADHKWCRX-UHFFFAOYSA-N 369.377 0.803 0 40 FCAB Nc1cc(N2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)nc(N)n1 77488611 FJSJTRLTKCHJOU-SFHVURJKSA-N 370.461 0.816 0 40 FCAB Cn1nc(N2CCC[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)C2)ccc1=O 85470888 XSYFQOOEIGKVMC-LBPRGKRZSA-N 352.398 0.934 0 40 FCAB CN1C(=O)NC2(CCN(C(=O)NCCCOCc3ccco3)CC2)C1=O 95452831 NUTKBHQEAVQBDM-UHFFFAOYSA-N 364.402 0.912 0 40 FCAB CC1=NN(c2ccc(F)cc2)C(=O)[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 101901857 XCQJWLDFLCEWMB-DGCLKSJQSA-N 353.375 0.468 0 40 FCAB COc1ccc([C@@H]2OC[C@H]3O[C@@H](OC)[C@@H](NC(C)=O)[C@@H](O)[C@H]3O2)cc1 110341194 BQXAGUXLANKRHQ-PHPOFCCKSA-N 353.371 0.346 0 40 FCAB COC(=O)[C@]1(CCSC)N[C@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 169297338 WDARWSXAQTXDTN-DSZLRUIBSA-N 352.412 0.820 0 40 FCAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(CC(C)C)C3)C2=O)o1 225397786 SAZMFDPVRYKNQI-ZBFHGGJFSA-N 361.442 0.602 0 40 FCAB biogenic,in-vitro Cc1nn(C)cc1C(=O)N1CCN(CCc2ccccc2)[C@@H](C(N)=O)C1 257208255 BLIUICISUMMBKM-QGZVFWFLSA-N 355.442 0.583 0 40 FCAB Cc1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)n(C)n1 306140537 UWRHRZLSTPNJIU-YXJHDRRASA-N 357.458 0.944 0 40 FCAB COc1ccn2c(C(=O)N[C@@H]3CCC(=O)N[C@H]3[C@@H]3CCCO3)cnc2c1 563617964 LQVVKMZGSSWECD-HACGYAERSA-N 358.398 0.899 0 40 FCAB COc1ccc(C(=O)CNCCN[C@@]2(C)CCS(=O)(=O)C2)cc1OC 575420853 FEMHRCDPWJWLEB-KRWDZBQOSA-N 370.471 0.643 0 40 FCAB O=c1ccc(-n2cncn2)nn1CC1CCN(CC2(O)CCCC2)CC1 585500701 NPEHGTRRTBHPPY-UHFFFAOYSA-N 358.446 0.841 0 40 FCAB O=C(Nc1ccc(F)cc1F)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cncn2)[C@H]1O 1534640236 YEAIROYBWJRFSG-XGFWRYKXSA-N 367.312 0.404 0 40 FCAB COc1ccnc(N2C[C@@H]3CN(c4ncnc5c4cnn5C)C[C@H]3C2)n1 1888879203 MYMOJYDGHLXTPV-RYUDHWBXSA-N 352.402 0.735 0 40 FCAB Cc1cc(N2CCOCC2)nc(N2CCN(c3ncncc3F)CC2)n1 1889085927 WNDZZYOCPDQYRH-UHFFFAOYSA-N 359.409 0.877 0 40 FCAB CCCNC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cnn1C 2730591 APUXDRCNECXRIV-RHYQMDGZSA-N 350.375 0.377 0 40 FCAB CNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 4554257 OKLVQGYJRDIMFJ-NSHDSACASA-N 359.473 0.544 0 40 FCAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c(F)c1 8508059 IUEDNRGGNSHSQN-LBPRGKRZSA-N 371.390 0.428 0 40 FCAB Cn1c(=O)c2ccccc2n2c(SCc3nc(N)nc(N)n3)nnc12 9220966 FJYWZKKOOZHBFO-UHFFFAOYSA-N 355.387 0.223 0 40 FCAB NC(=O)Cn1c(CO)cnc1SCC(=O)NCc1ccccc1Cl 9827670 QTQXIPZXKZBHPC-UHFFFAOYSA-N 368.846 0.923 0 40 FCAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cc(=O)n(C)c(=O)n3C)C2=O)cc1 10499653 FQASJRSDDWYOGD-SFHVURJKSA-N 356.382 0.360 0 40 FCAB CCOC(=O)N1CCN(Cc2nnc3n(C)c(=O)c4ccccc4n23)CC1 12533370 QKRJXJPQBRARIO-UHFFFAOYSA-N 370.413 0.855 0 40 FCAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc2c(c1)OCO2 12654962 AKIVAEMHBBAVNN-JTOWHCCKSA-N 364.350 0.801 0 40 FCAB biogenic CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCC[C@@H](C(N)=O)C2)cc1 13056855 XUDOBXXNYRIPKB-GFCCVEGCSA-N 368.459 0.073 0 40 FCAB Cc1ncc(COP(=O)(O)O)c([C@H]2N[C@H](C(=O)O)CS2)c1O 13213453 CXFXHBNEDOKOBZ-XVKPBYJWSA-N 350.289 0.493 0 40 FCAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCCN(C)C)[C@H]4C2=O)no1 13623919 DQFOMWAVBNZPNL-OYUZRVEBSA-N 360.414 0.337 0 40 FCAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19291932 VIHSWTNCBLPESA-CHWSQXEVSA-N 365.455 0.330 0 40 FCAB Cc1ccccc1CN1CCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1 25063300 MFRPIOLUVOWFRD-UHFFFAOYSA-N 370.453 0.957 0 40 FCAB CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 25374660 GJOTUJTYJVXFAM-DGCLKSJQSA-N 374.484 0.680 0 40 FCAB CC[C@@]1(C)NC(=O)N(NC(=O)CNc2cc(C(=O)NC)ccc2C)C1=O 25739800 HAUVGPOTASDNTC-QGZVFWFLSA-N 361.402 0.518 0 40 FCAB Nc1nc(CN2CCOCC2)c(Br)c(CN2CCOCC2)n1 31614240 IKVVTVSBWAABCQ-UHFFFAOYSA-N 372.267 0.486 0 40 FCAB COCCNC(=O)NC(=O)CN1CCCC[C@H]1CNC(=O)OC(C)(C)C 50962945 WVBJXPPXUJEKJG-ZDUSSCGKSA-N 372.466 0.838 0 40 FCAB O=C(C1CC1)N1CCN(C(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)CC1 75164271 GNQUFWQGAVGPLJ-KRWDZBQOSA-N 371.437 0.495 0 40 FCAB O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCN(CCO)CC2)C1 78541773 HEPUDAIDFZZEFX-INIZCTEOSA-N 363.433 0.814 0 40 FCAB C[C@@H]1CCCCN1C(=O)CN1CCN(CCCN2CCOCC2)CC1 95401401 DFTQILLUGJNGJE-GOSISDBHSA-N 352.523 0.727 0 40 FCAB CN(Cc1ccco1)C[C@H]1CC[C@@]2(COCCN(S(C)(=O)=O)C2)O1 96063515 KZMMMDYVLQOXMA-HZPDHXFCSA-N 358.460 0.921 0 40 FCAB COc1cc(N2CCC3(CC2)C[C@H](OCC(=O)N(C)C)CO3)ncn1 96106599 KYZCKUCCKIHBEO-ZDUSSCGKSA-N 350.419 0.718 0 40 FCAB CN(C)c1cc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cnn1 206724053 AJSXOVYPBKYJEB-UHFFFAOYSA-N 368.441 0.621 0 40 FCAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1cc(C)nn1C)CC2 248038386 NHDTXYPRIOOBRJ-HNNXBMFYSA-N 370.519 0.849 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCCO1 408556438 COSZRTCFGMGXEL-CHWSQXEVSA-N 356.444 0.966 0 40 FCAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(S(=O)(=O)c1cccnc1)C2 575405761 ZXHKHJOFIMCBFF-LBPRGKRZSA-N 371.484 0.435 0 40 FCAB C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)n1nc2c(cc1=O)CCC2 575606015 CHADNQKLGNIRIH-XJKSGUPXSA-N 374.441 0.143 0 40 FCAB Cn1cnc2c(c1=O)CCN(C(=O)c1cn(Cc3ccccc3)nn1)C2 576881736 DYZQKVBEQKRLAG-UHFFFAOYSA-N 350.382 0.619 0 40 FCAB CCS(=O)(=O)NCc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)cc1 673965831 JVKJYMKGMVWQCJ-GJZGRUSLSA-N 365.455 0.619 0 40 FCAB C=CC(=O)Nc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 1540729798 JEPIVFPPFXFMQX-UHFFFAOYSA-N 351.428 0.965 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC[C@@]2(CCCN2S(C)(=O)=O)CC1 1565548187 ZBWALVJAZYGQBV-CQSZACIVSA-N 366.505 0.228 0 40 FCAB O=C(CN1CCO[C@@H](C(=O)N2CCSCC2)C1)NCc1ccccc1 1888929342 LREWPBDZISCXRH-MRXNPFEDSA-N 363.483 0.579 0 40 FCAB CC1(C)NC(=O)N(CC(=O)OCC(=O)NCc2ccc(F)cc2)C1=O 4360909 MQZLEFDISJQYDL-UHFFFAOYSA-N 351.334 0.316 0 40 FCAB OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(c1ccc(F)cc1)c1ccc(F)cc1 4962264 CRZNRNBMYIQRKO-VDHUWJSZSA-N 354.349 0.533 0 40 FCAB CS(=O)(=O)N(CCCC(=O)N1CCN(C=O)CC1)c1ccccc1 8041337 LYPDVKFULRVODK-UHFFFAOYSA-N 353.444 0.533 0 40 FCAB CCOc1ccc(CCNC(=O)Cn2ccc(=O)[nH]c2=O)cc1OCC 8330853 CYUDERFVXJMRQF-UHFFFAOYSA-N 361.398 0.693 0 40 FCAB COc1ccccc1C(=O)NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 9500738 QDGFRXBYSBLREN-UHFFFAOYSA-N 374.397 0.711 0 40 FCAB CCCn1c(C(=O)NCCCn2ccnc2)cc2c(=O)n(C)c(=O)n(C)c21 11795850 AHMGADTUWPIZPT-UHFFFAOYSA-N 372.429 0.465 0 40 FCAB CCN(C(=O)[C@@H](C)Sc1nnc(N)s1)[C@H]1CCS(=O)(=O)C1 12773176 ZQKCGTOHSPYGAN-SFYZADRCSA-N 350.491 0.637 0 40 FCAB C[C@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)C(=O)N(C)C 12784731 MEZOUANQMSEFNY-JTQLQIEISA-N 351.432 0.906 0 40 FCAB NS(=O)(=O)c1ccsc1C(=O)NC[C@H]1COc2ccccc2O1 12801222 QQAIRNPBXJQXGS-VIFPVBQESA-N 354.409 0.965 0 40 FCAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCCCO 22252517 XIJZKIBHYKSZSA-UHFFFAOYSA-N 360.432 0.602 0 40 FCAB Cn1ncc2c(=O)n(CCC(=O)O[C@@H](C(N)=O)c3ccccc3)cnc21 24110567 ZZWJPIBQNMPUNG-CQSZACIVSA-N 355.354 0.290 0 40 FCAB O=C([C@H]1CSCN1S(=O)(=O)c1cccc(F)c1)N1CCOCC1 26969994 ORAOVNNTPDSZRE-CYBMUJFWSA-N 360.432 0.748 0 40 FCAB C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C[C@@H](C)O1 32768004 DJZUNVMBLCTAAQ-TXEJJXNPSA-N 357.432 0.285 0 40 FCAB O=C(CN1CCN(C[C@@H](O)COc2ccccc2F)CC1)NC1CC1 32772982 XLHLQAMUROZPGV-OAHLLOKOSA-N 351.422 0.462 0 40 FCAB CCN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1cc(C)ccc1OC 39985701 GKUHJCRVXHQJHE-UHFFFAOYSA-N 369.487 0.788 0 40 FCAB O=C(c1ccc(O)nn1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 56903570 XDOGBUZCLIEVJQ-UHFFFAOYSA-N 363.381 0.997 0 40 FCAB COc1nn(C)cc1C(=O)NCC(=O)NCCOc1ccc(F)cc1 56909021 YUXBXXFPCBUTMV-UHFFFAOYSA-N 350.350 0.493 0 40 FCAB C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 58281989 BRERYJMURXXADJ-KRWDZBQOSA-N 365.353 0.640 0 40 FCAB O=C(CCNS(=O)(=O)c1cccnc1)N(C[C@H]1CCOC1)C1CC1 58365111 YZZRQZDNEWRTRR-CYBMUJFWSA-N 353.444 0.778 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)Nc2cccc(NC(N)=O)c2)CC1 72302005 WLKSZHKCFJKYQN-UHFFFAOYSA-N 371.419 0.608 0 40 FCAB CC(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)C(C)C)CC[C@@H]12 96145263 KSBUHTZYDLZXLH-APWZRJJASA-N 365.474 0.731 0 40 FCAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCN1C(=O)[C@@H]3CCCC[C@H]3C1=O)C2 100164420 VTGFZYHHZDEXDS-CHWSQXEVSA-N 372.425 0.528 0 40 FCAB COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)ccc1Cl 169687022 MYMVUHVMVHOLJG-LKQDWFRTSA-N 363.753 0.932 0 40 FCAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222737932 TVOYMUOQKLOLAY-AWEZNQCLSA-N 369.487 0.821 0 40 FCAB O=C(c1ccc(-n2cccn2)nc1)N1CC[C@](O)(CN2CCOCC2)C1 257210026 BSUVWHAWVGNTJU-SFHVURJKSA-N 357.414 0.177 0 40 FCAB CN(C)Cc1cccc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 257289237 PXRWPWHXZQZYKK-MRXNPFEDSA-N 354.476 0.857 0 40 FCAB COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)Cn3cccn3)C2)cc1 257334028 YEFKADFOQXRTNI-IBGZPJMESA-N 358.442 0.987 0 40 FCAB CN(C)c1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4cnccn4)[C@H]3C2)ncn1 306144519 ZHOYIRHNHYDVIM-UMVBOHGHSA-N 369.429 0.214 0 40 FCAB Cn1c(CN2CCOCC2)nnc1SCC(=O)NC[C@@H]1CCCO1 408600113 UTHQAJOOWGQGLF-LBPRGKRZSA-N 355.464 0.035 0 40 FCAB COCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408627067 XUSYUCNKQNFTDE-SECBINFHSA-N 350.824 0.778 0 40 FCAB O=C1C[C@@H](c2ccc(OCC(=O)N3CCOCC3)cc2)N2NC=NC2=N1 409378895 TWGMPEAPNLBUCC-AWEZNQCLSA-N 357.370 0.100 0 40 FCAB CC(=O)N1CCOC[C@@](O)(CC(=O)NC2(c3ccccc3F)CC2)C1 585281087 SSSUVYCZIOWUON-QGZVFWFLSA-N 350.390 0.931 0 40 FCAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1 1565546250 WNWFPJWKZSOGHA-LLVKDONJSA-N 371.426 0.651 0 40 FCAB CCS(=O)(=O)N1CCN(C(C)=O)C[C@H](Cc2cn3ccnc3cn2)C1 2037838294 BEMLOYNFIDZZBO-AWEZNQCLSA-N 365.459 0.402 0 40 FCAB Cn1ccc(=NC(=O)C2(n3cccn3)CCN(C(=O)c3cocn3)CC2)[nH]1 2055708155 SDIDXTDVCAIEMO-UHFFFAOYSA-N 369.385 0.297 0 40 FCAB COc1ccc(S(=O)(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1OC 4505196 ZHPRORWEANGYAE-AWEZNQCLSA-N 363.457 0.902 0 40 FCAB COCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 4944000 HUQDVUYFLRPQIH-UHFFFAOYSA-N 372.443 0.157 0 40 FCAB CCOC(=O)CCCNC(=O)COC(=O)CNC(=O)c1ccc(F)cc1 6497417 YZYFEPZKWIJRRO-UHFFFAOYSA-N 368.361 0.558 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)sc2C)CC1 6679981 WLKYWMAAHZOVHI-UHFFFAOYSA-N 361.445 0.618 0 40 FCAB CCn1cc([C@H]2C[C@H](C(=O)N3CCCC3)N(C)S(=O)(=O)N2)c(C)n1 12130662 RZGWMDFEBWBYCZ-ZIAGYGMSSA-N 355.464 0.413 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1F 12622956 XMFUBQHTXIGWBD-JTQLQIEISA-N 364.782 0.531 0 40 FCAB O=C(CN1CCN(C(=O)c2ccc[nH]c2=O)CC1)Nc1ccc(F)cc1 12913081 ILCSDOURMHWAPU-UHFFFAOYSA-N 358.373 0.911 0 40 FCAB CN(C)c1cccc(OCC(=O)N2Cc3cn(C)nc3[C@@H](C(N)=O)C2)c1 19701192 XKRJBBQOYUJTPK-HNNXBMFYSA-N 357.414 0.476 0 40 FCAB COC(=O)C[C@H]1NC(=O)N(CN2CCN(Cc3ccccc3)CC2)C1=O 23249166 JAAQAHMCLRELDQ-OAHLLOKOSA-N 360.414 0.245 0 40 FCAB C[C@@]1(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCS(=O)(=O)C1 24345312 VJHFJYWEDNNXHQ-OAHLLOKOSA-N 372.468 0.669 0 40 FCAB CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCc2ccccc21 30978194 JTIUDEKOKJHTMM-CQSZACIVSA-N 367.409 0.580 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NCCNS(=O)(=O)Cc1ccccc1 32021353 HCJAAZJFMJRNEF-UHFFFAOYSA-N 364.471 0.815 0 40 FCAB OC[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)cc23)[C@@H](O)[C@@H](O)[C@H]1O 33358914 LINMATFDVHBYOS-IKOXMDCHSA-N 374.187 0.109 0 40 FCAB Cc1n[nH]c2ncc(C(=O)N3CCCC[C@H]3CNS(C)(=O)=O)cc12 58095314 MDEQFPIZGQUPLM-LBPRGKRZSA-N 351.432 0.810 0 40 FCAB C[C@@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)N1CCS(=O)(=O)CC1 67279055 ZKYDIZBGVDWUJR-CQSZACIVSA-N 364.467 0.870 0 40 FCAB Cn1c(C(=O)N2CC[C@H](Cc3cccc(C(=O)O)c3)C2)cc(=O)n(C)c1=O 95388854 FTEBJDFPPMEGKL-CYBMUJFWSA-N 371.393 0.487 0 40 FCAB COC(=O)[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)[C@H](C)O 95945067 CGGUIEZYBCNFND-HZMBPMFUSA-N 356.400 0.014 0 40 FCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1ccco1)C2 96050430 KNIZLVZHTCWLRV-GOSISDBHSA-N 371.397 0.493 0 40 FCAB Cc1nnc(NC[C@@H]2CO[C@]3(COCCN(C(=O)NC4CC4)C3)C2)o1 96078517 XSSKSIXDDJFUMB-MLGOLLRUSA-N 351.407 0.769 0 40 FCAB CN(C)c1cc(CNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccn1 103144136 XKFUMFZPOSUHGV-PYTWLRIVSA-N 354.410 0.571 0 40 FCAB O=C(O)[C@H](CO)N(C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 217371250 GOGSKUCEMQWSPO-NEPJUHHUSA-N 361.803 0.415 0 40 FCAB Cc1ccoc1C(=O)N1Cc2ccnn2C[C@@H](CCNS(C)(=O)=O)C1 253479046 OJCRRVYMCWGSGH-ZDUSSCGKSA-N 366.443 0.996 0 40 FCAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)Cn2cc(Cl)cn2)C1 257232372 GKPDHWYOUBKXGC-VIFPVBQESA-N 357.823 0.679 0 40 FCAB CN(C)S(=O)(=O)CCC(=O)N1CCN(C(=O)CC2CCCCC2)CC1 330559025 RKQJFJGGISMPAD-UHFFFAOYSA-N 373.519 0.909 0 40 FCAB CN(C)C(=O)COC[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccn(C)n1 585108287 PJPDAZROGWOBKL-CWRNSKLLSA-N 364.446 0.073 0 40 FCAB C=CC(=O)NCCC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1520992240 JJAMPCRSPJNUHF-GWCFXTLKSA-N 368.377 0.647 0 40 FCAB OC1(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCOCC1 1615143989 XBUGAJOHJYYWLU-SFHVURJKSA-N 355.406 0.809 0 40 FCAB O=C(COC(=O)C1CCCC1)NCCNC(=O)COC(=O)C1CCCC1 7986191 JTMVRCMINHTZPI-UHFFFAOYSA-N 368.430 0.686 0 40 FCAB CC(=O)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2cccnc2)nn1 8254169 LPMQPAGVCNYNNG-ZACQAIPSSA-N 368.441 0.903 0 40 FCAB biogenic,in-vitro CN1C(=O)NC2(CCN(C(=O)c3cc4ccccc4oc3=O)CC2)C1=O 8769340 NQSKHRVCQQKHAA-UHFFFAOYSA-N 355.350 0.949 0 40 FCAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1F 9827342 JOXDZUTZUFAIGW-UHFFFAOYSA-N 352.391 0.991 0 40 FCAB COc1ccc(S(=O)(=O)NCCN(C)C)cc1C(=O)N1CCOCC1 10111658 NWYGWSHFXASDRN-UHFFFAOYSA-N 371.459 0.008 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21 12086966 FXIIPUVVLMLQGL-AWEZNQCLSA-N 371.393 0.726 0 40 FCAB O=C(CC[C@H]1NC(=O)NC1=O)NCC(=O)Nc1ccc(F)c(F)c1F 12899307 LQPVNRFPETXJAX-MRVPVSSYSA-N 358.276 0.147 0 40 FCAB CCn1nnc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)cnc21 13531333 RJTLOYDBKOVUMT-UHFFFAOYSA-N 367.413 0.357 0 40 FCAB CC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)CC1 15674018 MDBSGBOMVBYQOP-HIFRSBDPSA-N 358.402 0.645 0 40 FCAB biogenic,in-vitro CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)C(=O)O 16899890 LNALKKHWEUBQAX-RYUDHWBXSA-N 354.359 0.780 0 40 FCAB C/C(NCCN1CCOCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 20265855 ADZXDZYHEJHPIL-JQIJEIRASA-N 372.425 0.461 0 40 FCAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CCc2ccccc21 20955001 RJKZVIOWPIMQAG-MRXNPFEDSA-N 363.483 0.380 0 40 FCAB CCN(CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 23622995 HXMBHIOYWGWKPY-MFOWVQHXSA-N 357.476 0.954 0 40 FCAB COC(=O)c1ccc(C)c(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c1 40051905 QWHSLKWFTHJESS-UHFFFAOYSA-N 370.427 0.264 0 40 FCAB CCN(CC)S(=O)(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 48265409 FPDONQLFWPXIEV-UHFFFAOYSA-N 353.452 0.141 0 40 FCAB CCOC(=O)CNC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC 57522105 PCRAYJCGKGZNLB-UHFFFAOYSA-N 352.416 0.824 0 40 FCAB COC(=O)CN(CC(=O)OC)CN1C(=O)NC2(CCCCCCC2)C1=O 57837785 DAFVAOBQWGEJLI-UHFFFAOYSA-N 369.418 0.627 0 40 FCAB NC(=O)C1CCN(c2ccc(NC(=O)CCN3C(=O)CCC3=O)cc2)CC1 58158399 QQXJVZZHLFCAOF-UHFFFAOYSA-N 372.425 0.866 0 40 FCAB Cc1cccn2c(=O)cc(COC(=O)Cn3c(C)cc(O)cc3=O)nc12 75108294 QARATUWXTXXGFB-UHFFFAOYSA-N 355.350 0.922 0 40 FCAB Cc1cc(C)c(N(C[C@@H](O)CN[C@@H](C)C(=O)O)S(C)(=O)=O)c(C)c1 95117179 NWHBZSVGBYFZQO-KBPBESRZSA-N 358.460 0.801 0 40 FCAB Cc1cc(N2CCN(C(=O)c3ccc(CN)cc3)CC2)n2ncnc2n1 95971700 OKBUAPRGXZATLS-UHFFFAOYSA-N 351.414 0.854 0 40 FCAB COc1ccc(-c2nn(CC(=O)N3CCN(C)CC3)c(=O)cc2OC)cc1 96101190 WULAKWOWEZOWOK-UHFFFAOYSA-N 372.425 0.702 0 40 FCAB CN1CCN(C[C@H]2CO[C@]3(CCCN(C(=O)c4cn(C)cn4)C3)C2)CC1 96228475 BFWFHSQQVHOJFL-QFBILLFUSA-N 361.490 0.679 0 40 FCAB COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)ccc1Cl 100188096 MYMVUHVMVHOLJG-PFHKOEEOSA-N 363.753 0.932 0 40 FCAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3cc(Cl)ccc3OC)C(=O)[C@H]12 100639769 JKNBQCGXSBPIGB-WDEREUQCSA-N 351.746 0.729 0 40 FCAB O=C1CCCC(=O)N1CCS(=O)(=O)NCc1cnn2c1CCCC2 225612580 YMYSPLGMYOESGO-UHFFFAOYSA-N 354.432 0.178 0 40 FCAB Cn1cnnc1S(=O)(=O)C1CN(C(=O)Cc2cn(C)c3ccccc23)C1 240068153 SKIYUGNXVDQSJZ-UHFFFAOYSA-N 373.438 0.534 0 40 FCAB CCN(CC)S(=O)(=O)N1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257265520 LYZSIDNCLPMPBB-JTQLQIEISA-N 350.466 0.189 0 40 FCAB CN1c2nn(CC3CC3)c(=O)c(=O)n2CC12CCN(c1ncccn1)CC2 306137518 QYTQUEWDZAQXMP-UHFFFAOYSA-N 369.429 0.094 0 40 FCAB C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)CCN2CCCS2(=O)=O)C1 333958329 IXKHAZMODBJMPK-GFCCVEGCSA-N 371.425 0.755 0 40 FCAB COCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408559054 KZAOAWZQCZMIAP-SECBINFHSA-N 350.824 0.778 0 40 FCAB Cn1ncc2c(N3CCN(C(=O)Cc4ccccc4)CC3)nc(N)nc21 563548053 BRJXBMYUWAYDDR-UHFFFAOYSA-N 351.414 0.837 0 40 FCAB COc1ccc(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2C)c(OC)c1 644294541 KSRFUUFXYRKQLE-CYBMUJFWSA-N 356.444 0.439 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1 681941658 GFGYWUQOMFXBCP-GFCCVEGCSA-N 360.370 0.337 0 40 FCAB CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)n3)CC[C@H]21 1565554146 KYNFHKRDECCHRC-CHWSQXEVSA-N 373.862 1.000 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)C(C)C)C[C@H]4C3)nn12 1888879059 JNLFTSUUOBDNKF-CHWSQXEVSA-N 364.475 0.793 0 40 FCAB COc1cnc(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@@H]3C2)nc1 2055747910 ZACXSVGKKWXHHL-CVEARBPZSA-N 355.398 0.606 0 40 FCAB CN(C)S(=O)(=O)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055772505 OBJHTZRBPWDWPJ-UHFFFAOYSA-N 366.487 0.972 0 40 FCAB CCCN(CC1CC1)C(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 4278145 NXRIANHEZKCSAK-UHFFFAOYSA-N 373.409 0.882 0 40 FCAB CCCNC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cnn1C 6264887 APUXDRCNECXRIV-KXNHARMFSA-N 350.375 0.377 0 40 FCAB CC(=O)Nc1ccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 6347932 XXJDTAKFRJBAHW-AWEZNQCLSA-N 368.411 0.447 0 40 FCAB COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC1CC1 8077306 GPBFJFOQKKZMEX-ZDUSSCGKSA-N 354.428 0.507 0 40 FCAB Cn1cc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1C(N)=O 14241128 JYYUVTZEVOCEOB-UHFFFAOYSA-N 368.459 0.147 0 40 FCAB COc1cc2c(cc1OC)CN(C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)CC2 14349275 DCMQJMCDYVGNHH-UHFFFAOYSA-N 373.409 0.906 0 40 FCAB O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCN(c2ncccn2)CC1 24607567 GAMDKFDOLHMRHM-MRXNPFEDSA-N 364.413 0.596 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 26149051 XZNGEROKQPVUDA-UHFFFAOYSA-N 366.487 0.852 0 40 FCAB COc1ccc(-c2c3c(=O)n(C(CO)CO)ccc3nc3ncnn23)cc1 38828734 NWTBVIQXCPTUKH-UHFFFAOYSA-N 367.365 0.641 0 40 FCAB C[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 41378926 BPCUNOJVTOUJLW-LLVKDONJSA-N 354.428 0.838 0 40 FCAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCOC1 58183694 RORQLNUOUIKJAV-LBPRGKRZSA-N 370.427 0.691 0 40 FCAB CCN1C[C@@H](C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1=O 58305692 BGPXJWPYRSXNMT-HNNXBMFYSA-N 358.442 0.320 0 40 FCAB CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCC)CC1 72260177 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354.428 0.966 0 40 FCAB CN(C)C(=O)[C@H]1CN(C(=O)CCN(C)c2ccc(F)cc2)CCN1C 257244027 IJOGYSDWJBBVSR-MRXNPFEDSA-N 350.438 0.883 0 40 FCAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1cnccn1 257307491 SYWFSEXVTJWVNO-KRWDZBQOSA-N 353.426 0.592 0 40 FCAB Cc1ccc(Cl)cc1S(=O)(=O)N(CCN)[C@@H]1CCS(=O)(=O)C1 575426159 NQTGLCZZSRJGSZ-GFCCVEGCSA-N 366.892 0.785 0 40 FCAB CNC(=O)[C@@]1(C)CN(CC2(O)CCN(c3ccccc3F)CC2)CCO1 585287547 YUDWKIMQNPCOKZ-GOSISDBHSA-N 365.449 0.994 0 40 FCAB COc1cc(C(=O)N2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)on1 1565545055 XNRDPTIZHFUKJJ-NSHDSACASA-N 373.431 0.386 0 40 FCAB Cn1c(N2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)nc2ccccc21 1888876060 LLUITHCNEYBMMI-VNHYZAJKSA-N 353.426 0.747 0 40 FCAB COCCNC(=O)C1(n2ccnc2)CCN(CC2CCOCC2)CC1 2055708123 LPCLWVQKMVQXLQ-UHFFFAOYSA-N 350.463 0.863 0 40 FCAB O=C(CN1CCOCC1)N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055739443 YSMMXVOEFNSXRB-CYBMUJFWSA-N 362.430 0.120 0 40 FCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2ccco2)CC1 2055746178 VNZARARMNFICIQ-UHFFFAOYSA-N 361.446 0.644 0 40 FCAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O 2662542 FNFQXHMKSUJOJW-INIZCTEOSA-N 364.427 0.995 0 40 FCAB Nc1cccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 5740774 MPTABSOFCHQAKJ-UHFFFAOYSA-N 355.441 0.437 0 40 FCAB COc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NC2CC2)cc1 6508062 AIUZMAKESHJJTA-UHFFFAOYSA-N 356.400 0.185 0 40 FCAB C[C@@H](O)CNC(=O)Cn1c(=O)[nH]c2sc3c(c2c1=O)CC(C)(C)OC3 8927408 ZBQNDYHRUHQMTP-MRVPVSSYSA-N 367.427 0.100 0 40 FCAB CC(C)[C@@H]1NC(=O)N(CC2=N[C@@H]3[C@H](C=NN3c3ccccc3)C(=O)N2)C1=O 13691570 VKTFYZZYQLGMTA-QEJZJMRPSA-N 368.397 0.539 0 40 FCAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)C2=O 14141061 RMWBUQSDKFESQG-XFBWCDHKSA-N 371.459 0.181 0 40 FCAB CC(=O)Nc1cccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 22757782 GLWWUZOHUIOTCM-UHFFFAOYSA-N 367.365 0.843 0 40 FCAB Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@H](O)c2ccccc2)n(C)c1=O 23115241 YSLPFKYDRHVIMA-AWEZNQCLSA-N 369.425 0.768 0 40 FCAB COC(=O)c1c[nH]c(=O)c(NC(=O)Cn2c(=O)cnc3ccccc32)c1 32933496 JJGPSEYAWHJIRJ-UHFFFAOYSA-N 354.322 0.510 0 40 FCAB CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 35877345 POWGFLURHYGMQK-UHFFFAOYSA-N 370.500 0.846 0 40 FCAB CS(=O)(=O)N1CCN(CCNC(=O)CCSc2ccccc2)CC1 38680335 LLIDCLXINZIFNE-UHFFFAOYSA-N 371.528 0.862 0 40 FCAB COc1ccc(OCc2noc(CNC(=O)CN3C(=O)CCC3=O)n2)cc1 49027421 GREDQTOHRCJVCQ-UHFFFAOYSA-N 374.353 0.422 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(=O)c1ccncc1)CCN(C(=O)N(C)C)C2 96036227 ZVLUONWPPFDTBA-LJQANCHMSA-N 373.457 0.760 0 40 FCAB O=C(C1CCOCC1)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 96074970 ZXJRQBLXRLTUFI-UHFFFAOYSA-N 360.414 0.628 0 40 FCAB CN1C[C@@]23CN(C(=O)c4cccc(Cl)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146070 LLPGKCXFFSNPHI-VNHYZAJKSA-N 356.831 0.967 0 40 FCAB Nn1c(S[C@H]2CCS(=O)(=O)C2)nnc(Cc2ccccc2)c1=O 217376696 RIPXDZULIRCLMO-NSHDSACASA-N 352.441 0.222 0 40 FCAB C[C@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1c1ncc(F)cn1 253591314 LZNURFMZBXORAT-LBPRGKRZSA-N 360.393 0.795 0 40 FCAB O=C(CN1CCOCC1)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257279862 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4686451 HFBOZKBLWZCBIT-HNNXBMFYSA-N 364.358 0.874 0 40 FCAB Cn1c(N)c(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c(=O)n(C)c1=O 6788536 KYMAQQPQNLSMJQ-UHFFFAOYSA-N 372.410 0.426 0 40 FCAB Cc1ccc(C(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c(C)c1 7989401 SDNLLKGFBCNDOX-ZDUSSCGKSA-N 352.412 0.841 0 40 FCAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccnc3)C(=O)[C@@H]12 10004077 FDHHPHOLFVPXCW-MMQJMDILSA-N 372.333 0.347 0 40 FCAB CS(=O)(=O)NC1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 10679991 BQVHEMNKFQXXMQ-UHFFFAOYSA-N 354.400 0.667 0 40 FCAB Cc1cc(NS(=O)(=O)c2c(C)noc2C)n([C@H]2CCS(=O)(=O)C2)n1 11795989 KGPAHMRIUNCGJP-NSHDSACASA-N 374.444 0.957 0 40 FCAB CC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 22415529 ISNBFUKVFGIAGG-NSHDSACASA-N 356.448 0.003 0 40 FCAB O=C(CCN1C(=O)CSc2ccccc21)N[C@H]1CCS(=O)(=O)C1 32784448 KLQSLULYESBQBX-NSHDSACASA-N 354.453 0.819 0 40 FCAB O=C(OCc1cccs1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 32958669 NBFYDLYCTWRXNA-JTQLQIEISA-N 356.425 0.957 0 40 FCAB Cc1cc(NC(=O)CN2CCC[C@H](CO)C2)n([C@@H]2CCS(=O)(=O)C2)n1 40020135 ZMVQQSWVFKNMIJ-UONOGXRCSA-N 370.475 0.194 0 40 FCAB COCC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 52055115 PPVIFRKMJUUTLL-UHFFFAOYSA-N 370.427 0.327 0 40 FCAB O=C(Cn1cc(-c2nnco2)ccc1=O)NC(=O)NCc1ccccc1 58167540 UDKRRIUIELKDTE-UHFFFAOYSA-N 353.338 0.924 0 40 FCAB Cc1csc(NC(=O)C2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)n1 58224213 FXXLVFRNAWTGGN-UHFFFAOYSA-N 374.488 0.520 0 40 FCAB CC(C)(C)NC(=O)c1ccccc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1 58411447 ZKDYWUJNYTZZLZ-GFCCVEGCSA-N 367.471 0.930 0 40 FCAB NCCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 71776003 VCIGYETUELKGCM-INIZCTEOSA-N 373.501 0.750 0 40 FCAB O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCSCC1 72301620 MFSQVUKJNMLONR-HNNXBMFYSA-N 374.466 0.699 0 40 FCAB CC(C)(C)OC(=O)N1CCc2nc(S(C)(=O)=O)nc(C(N)=O)c2C1 91692447 GYWKADNZISAICP-UHFFFAOYSA-N 356.404 0.272 0 40 FCAB COC(=O)c1ccoc1CN(Cc1ccco1)[C@H]1CS(=O)(=O)C[C@@H]1O 95446656 LKDIMOHDHNCWGB-KBPBESRZSA-N 369.395 0.819 0 40 FCAB O=C1CCC[C@@H]1[C@H]1COCCN1CC(=O)N1CCC2(CC1)OCCO2 95945696 WHRHWGMFGOBJDF-HUUCEWRRSA-N 352.431 0.422 0 40 FCAB COCC(=O)N1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12 96036854 GNHKKXIEQAIBEW-AWEZNQCLSA-N 362.430 0.368 0 40 FCAB O=C(NC[C@H]1CCCO1)C1=NO[C@]2(CCN(C(=O)c3ccnnc3)C2)C1 96225631 GEVYPAWOVVOCHA-CXAGYDPISA-N 359.386 0.133 0 40 FCAB CN(C)Cc1cnc([C@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)[nH]1 257248745 JEZWBYOECATWFR-ZDUSSCGKSA-N 355.508 0.685 0 40 FCAB C[C@H](NC(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21)c1nnnn1-c1ccccc1 501367868 VFSSFTLBQNJYJA-NWANDNLSSA-N 369.429 0.986 0 40 FCAB COC(=O)c1cn(-n2c(C)nc3ccc(O)cc3c2=O)cc2c(O)nnc1-2 524733786 PCHKCVNTZHRPJP-UHFFFAOYSA-N 367.321 0.910 0 40 FCAB COCn1[nH]c(Br)nc1=NCCn1c(C)cc(O)cc1=O 1547200756 CSKAMHATGYZRSC-UHFFFAOYSA-N 358.196 0.354 0 40 FCAB O/C(=C1/CC(=[N+]2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1 1560406092 NLBUWSKFABIZQS-PFONDFGASA-O 365.408 0.812 0 40 FCAB COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)CCc2cncnc2)O1 1565548434 CWCMFNKUZFOIJO-BZUAXINKSA-N 362.430 0.320 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccn(C)n5)C[C@H]4C3)nn12 1888904097 PLBCHJBEAJQTTM-BETUJISGSA-N 366.429 0.629 0 40 FCAB Cc1cc(N2CCN(Cc3nncn3C)CC2)nc(N2CCOCC2)n1 2087126091 XTJDGIGFMZMWEK-UHFFFAOYSA-N 358.450 0.072 0 40 FCAB COc1ccc(N2C[C@@H](NC(=O)NCC(OC)OC)CC2=O)cc1OC 4479795 RUICDGFHAZYIAT-NSHDSACASA-N 367.402 0.727 0 40 FCAB CCCn1c(N)c(N(CCOC)C(=O)Cc2ccccc2)c(=O)[nH]c1=O 5674427 ZYYXJBBVAWWVRL-UHFFFAOYSA-N 360.414 0.751 0 40 FCAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NCCOc1ccccc1 15534600 BVSLKIHTXNMFDT-UHFFFAOYSA-N 359.407 0.920 0 40 FCAB CC(=O)[C@H](C)n1c(CN2C[C@@H](C)O[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 20354971 OSRCOTWWVHVXDX-MXWKQRLJSA-N 363.418 0.183 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)COc2cccc3c2CCC3=O)CC1 24374661 ATDJMQYDHGXVKB-UHFFFAOYSA-N 352.412 0.298 0 40 FCAB O=C(c1cccc(CN2C(=O)CNC2=O)c1)N1CCC2(CC1)OCCO2 24998056 UHDAXYQGSHUSBG-UHFFFAOYSA-N 359.382 0.718 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 25738546 KNEZPDZIQYERHK-UHFFFAOYSA-N 350.444 0.743 0 40 FCAB O=C(CCN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1 32870864 YIBIMKIBIWJKDV-INIZCTEOSA-N 351.472 0.820 0 40 FCAB COC(=O)c1ccc(F)c(NCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 36717575 RWSNXAMRWGVSQC-NSHDSACASA-N 358.391 0.670 0 40 FCAB O=C(Cc1ccc2c(c1)CCC2)N1CCN(C(=O)CN2CCOCC2)CC1 54772471 AUHGJKBQRBWWDH-UHFFFAOYSA-N 371.481 0.721 0 40 FCAB CCN(CC)c1ccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cn1 58201361 UIMUTFMSHOXZOL-JXMROGBWSA-N 357.414 0.977 0 40 FCAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)CN2CCOCC2)CC1 58218850 PLAKETMBMWYFQD-CQSZACIVSA-N 365.478 0.905 0 40 FCAB Cc1nc2ncc3c(=O)n(CC(=O)NCc4cccn4C)ccc3n2n1 79482666 HTHKXHVQFOPWMU-UHFFFAOYSA-N 351.370 0.403 0 40 FCAB O=C1[C@@H](N2CCN(S(=O)(=O)C3CC3)CC2)CCCN1CC(F)(F)F 96000347 QRUJDEDIZWQIJY-LBPRGKRZSA-N 369.409 0.650 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 103965215 NGUJOKJTVRDRLD-JHJVBQTASA-N 351.428 0.164 0 40 FCAB CNc1cc(N2CC[C@@](O)(CNC(=O)c3cccnc3OC)C2)ncn1 257257703 KQUBODLPTMKRJR-QGZVFWFLSA-N 358.402 0.293 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2nccnc2-c2ncc[nH]2)C1 257280018 OJDMTZVGPMFDHY-GFCCVEGCSA-N 350.448 0.928 0 40 FCAB CCOCC(=O)N1CCn2cc(C(=O)NCc3cnc(C)cn3)nc2[C@H]1C 585096532 RTIFMZYNDFXXHP-CYBMUJFWSA-N 372.429 0.851 0 40 FCAB COC[C@]1(C(N)=O)CCCN1S(=O)(=O)c1ccc2c(c1)CCCO2 643703109 LBUORPLIZLANPF-INIZCTEOSA-N 354.428 0.667 0 40 FCAB COC(=O)c1cn(CCO)c(=O)c2cnc3nc(-c4ccccc4)nn3c12 1548338220 JRIROKLYHMEXIL-UHFFFAOYSA-N 365.349 0.885 0 40 FCAB Cc1nc(C(=O)N2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3CC2)cs1 1565554555 VGQBVPKXLANFBO-CHWSQXEVSA-N 359.473 0.717 0 40 FCAB CC[C@@H](C)[C@@H](C(=O)N1CCn2c(nnc2C(F)(F)F)C1)n1cnnn1 1615151974 MMUCBNMKFMLINZ-SCZZXKLOSA-N 358.328 0.913 0 40 FCAB Cn1ccc(CN2C[C@@H]3CN(c4nccn5nnnc45)C[C@]3(C)C2)cc1=O 1616033646 RQNGFQPLQPBRIB-KDOFPFPSSA-N 366.429 0.176 0 40 FCAB CCN=c1nc(N2CCN(c3cc(C)nc4ncnn34)CC2)cc(C)[nH]1 2086889434 XYVRRYDEQXNBNN-UHFFFAOYSA-N 353.434 0.711 0 40 FCAB CCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)O)ccc12 2126625 AQPOBTITDHZFIX-UHFFFAOYSA-N 362.338 0.051 0 40 FCAB biogenic COCCn1c(S[C@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 2619231 ZQLZZAVCZJPAJT-SECBINFHSA-N 350.400 0.718 0 40 FCAB COc1cccc([C@H]2C3=C(COC3=O)Nc3c2c(=O)n(C)c(=O)n3C)c1 4495858 CNIZNABCHPGHTD-LBPRGKRZSA-N 355.350 0.461 0 40 FCAB OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(c1ccc(F)cc1)c1ccc(F)cc1 4962263 CRZNRNBMYIQRKO-NRSFXHEJSA-N 354.349 0.533 0 40 FCAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(=O)[nH]c1 5827048 BSEGJXGILITHRO-UHFFFAOYSA-N 363.395 0.648 0 40 FCAB COc1ccccc1[C@H](C)N[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 7785264 SMNLPMWGEQVHPC-QWRGUYRKSA-N 360.414 0.597 0 40 FCAB COC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O 9479215 SWXBFJSLFVSIJI-JDNHERCYSA-N 355.341 0.883 0 40 FCAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N1 9939422 MPXXYVFAPHCBIE-GXFFZTMASA-N 366.395 0.907 0 40 FCAB C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1F 15330879 ALPSOFCKPVESHU-MRVPVSSYSA-N 359.354 0.402 0 40 FCAB CCN(C)[C@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C2(CCCCC2)C1 19703815 RYYDFHPUFKBUED-CQSZACIVSA-N 360.524 0.638 0 40 FCAB CC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 22415527 ISNBFUKVFGIAGG-LLVKDONJSA-N 356.448 0.003 0 40 FCAB Cc1ccc2c(c1)N(CC(=O)NCCCN1CCN(C)CC1)C(=O)CO2 22938925 ARKHJGMDNYOGGO-UHFFFAOYSA-N 360.458 0.474 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)/N=c2\[nH]cn[nH]2)cc1 23143362 MEYHJPPQOSKTLE-ZDUSSCGKSA-N 351.432 0.867 0 40 FCAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C[C@H](O)CO)CC2)c1C 23653326 CRXQWMITTIFRMC-INIZCTEOSA-N 356.488 0.580 0 40 FCAB COc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc(OC)c1OC 24777079 GUCJMDAJMFHUMT-UHFFFAOYSA-N 372.443 0.820 0 40 FCAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 32808772 VAZGFSBDJUYILQ-GFCCVEGCSA-N 353.444 0.871 0 40 FCAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(-n3cncn3)nc1)CS2 40108116 ZOGTVXNRZNPHHX-LRDDRELGSA-N 358.427 0.733 0 40 FCAB C[C@@H](CN1CCOCC1)NC(=O)Cn1cc(Br)ccc1=O 46889852 IKZTXBCVRLFASK-NSHDSACASA-N 358.236 0.448 0 40 FCAB COCc1ccccc1NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 48253274 CRGKOSJFDKNZEQ-ZIAGYGMSSA-N 366.439 0.807 0 40 FCAB COC(=O)c1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 48264670 XKWIDFATWCHVBE-SNVBAGLBSA-N 361.803 0.809 0 40 FCAB CC1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 57509133 FDVVYUONIXQXFQ-UHFFFAOYSA-N 367.471 0.925 0 40 FCAB Cc1nc2c(c(N(C)C)n1)CCN(C(=O)[C@H]1CCCN1S(C)(=O)=O)C2 71575449 ZPPBQETTXFSYFT-CQSZACIVSA-N 367.475 0.160 0 40 FCAB CCOC(=O)[C@](C)(NCc1nc2c(c(=O)[nH]c(=O)n2C)n1C)C(C)C 72308599 OPNSRDFXAYMXJG-MRXNPFEDSA-N 351.407 0.028 0 40 FCAB CN(C)S(=O)(=O)N1CCc2nc(NC(=O)c3ccccn3)sc2C1 77145456 PPLUMNYKLJXWFM-UHFFFAOYSA-N 367.456 0.955 0 40 FCAB Cc1cc(=O)c(OCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c[nH]1 95476954 NIGYHRYMNJQLAG-UHFFFAOYSA-N 357.292 0.715 0 40 FCAB CN(C)C(=O)[C@@H]1CCCN1CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 96993516 UKINJIFLJVFSBU-LBPRGKRZSA-N 359.382 0.497 0 40 FCAB O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1cnn(-c2ccccc2)n1 225800516 WXIOQGMTBNRKKR-UHFFFAOYSA-N 363.337 0.936 0 40 FCAB CN(C[C@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)/C=C/C(=O)O 257269174 MOWKISDWKWLRGV-SHCNBLLESA-N 356.382 0.670 0 40 FCAB Cc1cccnc1C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1 257293836 QRJNYVXCMJCATC-MGPQQGTHSA-N 365.430 0.851 0 40 FCAB CC(C)c1cc(C(=O)N[C@@H]2CC[C@@H](N3CCNC(=O)C3)[C@@H]2O)cs1 257301014 RWNYIUVQIHZUEF-XJKCOSOUSA-N 351.472 0.925 0 40 FCAB O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCN(c2ccc3nncn3n2)C1 390830884 OBMQQEQBOJVYGO-ZDUSSCGKSA-N 366.381 0.791 0 40 FCAB Cn1cnc(C(=O)N2C[C@H]3OC[C@@H](CNC(=O)c4cccnc4)[C@H]3C2)c1 585094081 IINCTNOFNJAYTF-IIAWOOMASA-N 355.398 0.332 0 40 FCAB CC(C)CN(C(=O)c1ccc2c(c1)OCCO2)[C@@H]1COC[C@@H](O)[C@H]1O 585285456 DHALEBYVFBGDAU-CPUCHLNUSA-N 351.399 0.677 0 40 FCAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)/C=C/CN2CCOCC2)C1 585291649 RAXOCUAVHHUOQY-YZTRRJNXSA-N 353.463 0.409 0 40 FCAB CC[C@](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)(C(=O)O)c1ccccc1 666371512 QUYNILYSCQYROI-WMLDXEAASA-N 368.455 0.959 0 40 FCAB CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(C(=O)NC[C@H]2CCCCO2)C1 681931879 HTQBGDRPGQTGMF-ZIAGYGMSSA-N 364.450 0.549 0 40 FCAB O=C(c1csnn1)N1CC[C@H]2C(=O)N(Cc3ccncc3)CCO[C@H]2C1 1565549764 BWUQAUDWGDMZTA-HIFRSBDPSA-N 373.438 0.823 0 40 FCAB Cc1nnc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)s1 675553 ZKVBHGWHAYVIHV-UHFFFAOYSA-N 364.435 0.448 0 40 FCAB Cc1ccccc1Cn1c(SCC(=O)O)nc2c1c(=O)n(C)c(=O)n2C 5634968 YBQZFTGUGXFRSV-UHFFFAOYSA-N 374.422 0.967 0 40 FCAB C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C[C@@H](C)O1 5937419 JTGBETUDUKRWNX-ZIAGYGMSSA-N 354.476 0.631 0 40 FCAB CC(C)CNC(=O)NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1 6623249 GANSQLIEVCWFJZ-UHFFFAOYSA-N 371.415 0.697 0 40 FCAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC1CC1 7726587 FUVNXMSSPUGPGT-VIFPVBQESA-N 360.819 0.829 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCCN(CCC(=O)NC(N)=O)CC2)cc1 8735559 BGACXXGGSWZZHC-UHFFFAOYSA-N 368.459 0.276 0 40 FCAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(OC)cc1 9827348 NHPQQTNGZMARDR-UHFFFAOYSA-N 364.427 0.861 0 40 FCAB CC(C)NC(=O)CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12220224 SEJKJOMJYOZVCG-UHFFFAOYSA-N 352.460 0.707 0 40 FCAB CN(C)CC[C@@H](NC(=O)c1cccn(CC(N)=O)c1=O)c1ccccc1 19750179 BBYHINIZFOYVDB-MRXNPFEDSA-N 356.426 0.756 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)C2(c3ccccc3)CCC2)c(=O)n(C)c1=O 21739060 LWVIAWFBUGFXBH-UHFFFAOYSA-N 371.393 0.514 0 40 FCAB COc1ccc(C(=O)c2c(CN3CCOCC3)n(C)c(=O)n(C)c2=O)cc1 31817464 MCTOKYVAVMRXKA-UHFFFAOYSA-N 373.409 0.156 0 40 FCAB CN1C(=O)N[C@H](c2ccc(O)cc2)C2=C1CN(CCN1CCOCC1)C2=O 35590370 KLBDJMAMFKNUFD-QGZVFWFLSA-N 372.425 0.517 0 40 FCAB CC(=O)c1ccc(N2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1 57425870 ZXDFAQCRTPEVEI-UHFFFAOYSA-N 356.426 0.609 0 40 FCAB CCn1cc([C@@H]2C[C@H](C(=O)NCC(C)C)N(C)S(=O)(=O)N2)c(C)n1 72335025 FYCINRZHNAGUDG-UONOGXRCSA-N 357.480 0.563 0 40 FCAB COc1ccc(S(=O)(=O)NCc2cnn3c2CCCC3)cc1C(N)=O 225613550 IDXXZXFYQJZQOS-UHFFFAOYSA-N 364.427 0.805 0 40 FCAB O=C(c1cccnc1)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O 247845279 GTNJZRYLLWUGLL-AWEZNQCLSA-N 374.422 0.580 0 40 FCAB CC(=O)N1C[C@H](C(=O)O)CN2CCN(C(=O)c3cccs3)C[C@H]2C1 247967422 XPJPWFLJJDVLJE-OLZOCXBDSA-N 351.428 0.437 0 40 FCAB Cc1cccc(C(=O)N[C@H]2CCOC[C@]23CC(C(=O)NC(C)C)=NO3)n1 306128362 GYNJELLXXYRORJ-MAUKXSAKSA-N 360.414 0.948 0 40 FCAB Cn1ccnc1-c1nnc2n(c1=O)CC[C@@]21CCN(Cc2cccnc2)C1 306129414 ICGXEAQJPMMWFH-LJQANCHMSA-N 363.425 0.981 0 40 FCAB O=C(NCCc1cccc2c1OC(F)(F)O2)C1=NN(CCO)C(=O)CC1 529756570 JZUKNGXJHZMSAO-UHFFFAOYSA-N 369.324 0.638 0 40 FCAB C[C@@H]1[C@H](N(C)CCO)CCN1Cc1cc(Cl)cc(S(N)(=O)=O)c1 565048065 IYPBDWYSJOPXOV-IAQYHMDHSA-N 361.895 0.874 0 40 FCAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CC(=O)N(C4CC4)C3)cc21 584385312 HPXHCVDPUXPIGC-SNVBAGLBSA-N 363.439 0.958 0 40 FCAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1 585100892 ACGDTGIGNAWZOD-AWEZNQCLSA-N 361.442 0.921 0 40 FCAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)c2ccnc(F)c2)CC1 2055746181 VZFWWPNLBFNGIY-UHFFFAOYSA-N 360.393 0.209 0 40 FCAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)NC(N)=O 3380680 HZUHVTRJLREARO-PWSUYJOCSA-N 371.415 0.116 0 40 FCAB COC(=O)[C@@H]1ON=C(c2c(OC)cc(OC)cc2OC)[C@H]1C(=O)OC 4666885 XSBBELCDTQDPOK-TZMCWYRMSA-N 353.327 0.778 0 40 FCAB NC(=O)[C@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc2O1 8751110 CRXBWNWTENEMIC-CYBMUJFWSA-N 372.381 0.131 0 40 FCAB CN(Cc1ccc(F)cc1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 12539079 QGUZTALTASXWRA-UHFFFAOYSA-N 359.361 0.231 0 40 FCAB COc1cccc(C(=O)N2CCN(c3ncnc4c3nnn4C)CC2)c1 13532456 JYHXHAAWKVNLSV-UHFFFAOYSA-N 353.386 0.729 0 40 FCAB CCN(C(=O)Cn1cnc2ccsc2c1=O)[C@@H]1CCS(=O)(=O)C1 14140004 SEMVDALBDRDZGH-SNVBAGLBSA-N 355.441 0.494 0 40 FCAB CCN1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)CC1 22523963 ZGKLFLBPQSBFQG-UHFFFAOYSA-N 372.466 0.603 0 40 FCAB CC1(C)Cc2c(sc(NC(=O)CN3CCOCC3)c2C(N)=O)CO1 31820633 KOGANPKNRDJRKL-UHFFFAOYSA-N 353.444 0.969 0 40 FCAB CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCN(C)C)cc1 32535890 AFAKJWHESKDGLT-HOTGVXAUSA-N 374.528 0.340 0 40 FCAB Cc1nc(CN2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)CC2)cs1 56465632 PKJLZOOUIVVWKT-UHFFFAOYSA-N 370.456 0.650 0 40 FCAB O=C(NCCCN1CCOCC1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95480139 FMGWLRMTYPESTR-CQSZACIVSA-N 371.441 0.754 0 40 FCAB Cc1c(C2N3CC4(C(C)C)CN2CC(C(C)C)(C3)C4=O)[nH]c(=O)[nH]c1=O 96803760 OKVCZGRVRAJOTO-UHFFFAOYSA-N 360.458 0.869 0 40 FCAB biogenic COc1cc2nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc(N)c2cc1O 206499858 ILQALIJJROIUDL-CQSZACIVSA-N 373.413 0.754 0 40 FCAB in-vitro CC(=O)NCc1cnc(CC2CCN(C(=O)c3ccncn3)CC2)cn1 257247738 JAGGRKWBIOISLB-UHFFFAOYSA-N 354.414 0.998 0 40 FCAB Cc1ccc(C(=O)N2CCO[C@@H](c3nccnc3N(C)C)C2)c(=O)n1C 257282602 OULNQTHUMGGMSX-CQSZACIVSA-N 357.414 0.763 0 40 FCAB Cc1noc(C)c1CN1C[C@H]2OC[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 306143882 YPNIJLJIQPJCLV-FRFSOERESA-N 357.414 0.958 0 40 FCAB C[C@@H](NS(=O)(=O)c1ccc(C(=O)O)cc1F)C1(S(C)(=O)=O)CC1 505865171 XEMABMYEJINROF-MRVPVSSYSA-N 365.404 0.768 0 40 FCAB O=C(NCCc1cnccn1)N1CCC[C@H](N2CCCS2(=O)=O)C1 525934491 DBGCBKTVPABCDV-AWEZNQCLSA-N 353.448 0.229 0 40 FCAB O=S(=O)(N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1)C(F)(F)F 575406454 XICUEIYGQCNECY-VIFPVBQESA-N 353.322 0.938 0 40 FCAB CC[C@@H](CO)NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cccnc1)CC2 583621418 GNXJLRHECQUGRZ-ZFWWWQNUSA-N 371.441 0.771 0 40 FCAB CN(C)C(=O)COC[C@@H]1C[C@H]2OCCN(C(=O)c3ccnc(F)c3)[C@@H]2C1 585108268 LDEIMDKUAWWMQW-NWANDNLSSA-N 365.405 0.945 0 40 FCAB CCc1nc(C2CCN(C(=O)c3nnn([C@H]4CCNC4)c3C)CC2)n[nH]1 662543536 VPEYRHSAWVKOKR-ZDUSSCGKSA-N 358.450 0.821 0 40 FCAB CC(=O)Nc1ccc(C(=O)N2Cc3nnc(C)n3C[C@@H]2CN(C)C)nc1 685942383 KAHURTCPRDBJBE-AWEZNQCLSA-N 357.418 0.526 0 40 FCAB CC(=O)N1CCNCC=CCOC[C@H](O)[C@H](O)[C@@H](OCCC(C)C)C1 1615120329 ORJUNKXKFOSBCF-BZSNNMDCSA-N 358.479 0.164 0 40 FCAB CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@H](COCC2CC2)C1 2055708073 DCHVZYODTAEPNG-CQSZACIVSA-N 355.460 0.703 0 40 FCAB CS(=O)(=O)CC(=O)N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055746137 PSZNRKWUDMDXKY-LLVKDONJSA-N 369.443 0.365 0 40 FCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1CC1CCCC1 2332242021 PMNKVEPHVIHHLW-ULQDDVLXSA-N 350.463 0.103 0 40 FCAB CC(=O)N1CCN(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)CC1 2623446 MBXSXVMTEDXNBD-UHFFFAOYSA-N 350.419 0.322 0 40 FCAB C[C@H](O)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 4911651 BSLPXXBMQUOFOL-LBPRGKRZSA-N 357.414 0.451 0 40 FCAB CNC(=O)CNC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 7481996 BXQZUNRKWAVSNY-UHFFFAOYSA-N 359.338 0.551 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)c2ccc3c(c2)CCC(=O)N3)n(C)c1=O 7901380 AEPOMCBUZHZKNJ-UHFFFAOYSA-N 367.365 0.201 0 40 FCAB CN(C)CCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234245 FOJTZBZTCDLTHU-UHFFFAOYSA-N 360.393 0.611 0 40 FCAB O=C1CC(=O)Nc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)O)ccc2N1 13459977 LGNBGNBMFXSPRU-NSHDSACASA-N 353.356 0.205 0 40 FCAB Cc1nnc(SC(C(=O)N2CCOCC2)C(=O)N2CCOCC2)s1 16363411 ABJDZKRVHZZBHB-UHFFFAOYSA-N 372.472 0.025 0 40 FCAB O=C(NC[C@H]1CCCO1)C(=O)NC[C@H](c1ccco1)N1CCOCC1 22769474 OTWYPHHYZVUPIX-ZIAGYGMSSA-N 351.403 0.064 0 40 FCAB C[C@H](OC(=O)CN1C(=O)CCC1=O)C(=O)N1CCN(c2ccccc2)CC1 24080076 CVIIEAOGDDWSIF-AWEZNQCLSA-N 373.409 0.416 0 40 FCAB CN(C)c1nc(N)nc(COC(=O)C[C@H]2Oc3ccccc3NC2=O)n1 25035358 TZXLVRICXLFECF-LLVKDONJSA-N 358.358 0.353 0 40 FCAB O=C([C@H]1CSCN1S(=O)(=O)c1ccccc1F)N1CCOCC1 26969880 JLMNTYRMSVFKRU-GFCCVEGCSA-N 360.432 0.748 0 40 FCAB O=C(O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 35126636 ZHZWEONESTYPPD-UHFFFAOYSA-N 363.233 0.840 0 40 FCAB O=C(CN1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1)Nc1ccccc1Cl 36391731 FWZXOSVTVPENNO-AWEZNQCLSA-N 364.833 0.701 0 40 FCAB Cc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)NC(=O)NC4=O)CC2=O)cc1 40033846 UWMQYVZZJYNZBI-ZDUSSCGKSA-N 370.409 0.549 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)N1 40033848 STEKBILHEZWPIY-CQSZACIVSA-N 370.409 0.236 0 40 FCAB CCn1cnnc1CNC(=O)c1nc(N2CCOCC2)ncc1Cl 53404979 CUSUJMTXWWVHAJ-UHFFFAOYSA-N 351.798 0.508 0 40 FCAB COc1ccc(CC(=O)N(C)C2CC2)cc1S(=O)(=O)N1CCOCC1 59894162 RBXPYFWIPXJRHB-UHFFFAOYSA-N 368.455 0.879 0 40 FCAB Cc1cccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1 72333657 ADSFXNDKWNKZFL-UHFFFAOYSA-N 353.444 0.485 0 40 FCAB O=C(NC[C@H]1CCCO1)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96147320 RUYDBYZZRQKRLR-LLVKDONJSA-N 362.411 0.573 0 40 FCAB COc1c([N+](=O)[O-])cc([N+](=O)[O-])c2c1CCN2C(=O)CC[C@@H](N)C(=O)O 204910315 SYNWQVVPBORTQE-MRVPVSSYSA-N 368.302 0.593 0 40 FCAB CSc1ncccc1C(=O)N1CC(S(=O)(=O)c2nccn2C)C1 225677551 DMTKVRROMCJCLV-UHFFFAOYSA-N 352.441 0.835 0 40 FCAB OCCCOc1ccc(CNC[C@@]2(O)CCN(c3ncccn3)C2)cc1 257260158 LBNJAJUNKZJBPO-IBGZPJMESA-N 358.442 0.969 0 40 FCAB CN(CCOc1ccccc1F)C(=O)C1CCN(S(N)(=O)=O)CC1 298331932 ZJXXAKVDZGJDND-UHFFFAOYSA-N 359.423 0.578 0 40 FCAB Cc1ccnc(O[C@H]2CN(S(=O)(=O)N(C)C)Cc3ccnn3C2)n1 306139495 SYRKDWAKLWADFQ-ZDUSSCGKSA-N 352.420 0.051 0 40 FCAB Cn1nc(C(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)ccc1=O 390830929 OKWFLHZFRPPRRL-ZDUSSCGKSA-N 367.452 0.844 0 40 FCAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc2nsnc12 548210467 NVSCBFABOBUSGP-WPRPVWTQSA-N 357.413 0.849 0 40 FCAB COc1ccc(C(=O)N2CC[C@H](Nc3ccc4nc(C)cn4n3)C2)nn1 571351258 NLJSEBRSZRQRPA-LBPRGKRZSA-N 353.386 1.163 0 40 FCAB CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@H]1CC[S@@](=O)C1)C2 572313282 XXYKECGUSQCCLI-DAOPMYJZSA-N 371.484 0.183 0 40 FCAB CCn1cc(O[C@@H]2CN(CC(=O)NCc3cccc(C)c3)C[C@H]2O)cn1 625620705 WMWLSRYRJWHLJZ-QZTJIDSGSA-N 358.442 0.952 0 40 FCAB CC(C)CN(C(=O)CN(C)Cc1cccnc1)[C@@H]1COC[C@@H](O)[C@H]1O 643585413 IHNGPOJLCDGBGL-NUJGCVRESA-N 351.447 0.119 0 40 FCAB COc1cc(C(=O)O)ccc1CCNC(=O)[C@@H]1CCCN1S(C)(=O)=O 648334397 OIBCXOOUOGIBEC-ZDUSSCGKSA-N 370.427 0.476 0 40 FCAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CCCc2c1cnn2CCO 1116396227 RDYPOTJEOMREEE-AWEZNQCLSA-N 370.413 0.256 0 40 FCAB CN1CCN(C(=O)CNc2c(S(N)(=O)=O)ccc3ccccc23)CC1 1262680920 VCZAKEOBWOOYNO-UHFFFAOYSA-N 362.455 0.673 0 40 FCAB O=C(c1ccncc1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@H]2C1 1549163120 ZFBXTGDOQFSIKD-CQSZACIVSA-N 356.382 0.349 0 40 FCAB Cc1ncnc(C(=O)N2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3CC2)c1C 1565553855 LOGDLSWZJOKJIJ-ZIAGYGMSSA-N 368.459 0.358 0 40 FCAB NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NCc1ccc(O)cc1 1631516837 KKXGIIQAFLRMGK-HNNXBMFYSA-N 359.357 0.822 0 40 FCAB O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)NC[C@H]1CCCO1 878420 XHKVMXUQOFHZHZ-MRXNPFEDSA-N 372.429 0.472 0 40 FCAB Nc1nnc(SCc2nnc(CSc3nnc(N)s3)n2N)s1 2190567 SJTBUKXIONMZMJ-UHFFFAOYSA-N 374.506 0.444 0 40 FCAB COc1ccc(NC(=O)CNNc2ccc(S(N)(=O)=O)cc2)cc1 3369943 XTMPCAZECCUDDS-UHFFFAOYSA-N 350.400 0.898 0 40 FCAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c1 5156273 DUKZOJJRXMHLQZ-UHFFFAOYSA-N 368.397 0.232 0 40 FCAB NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 5227688 AAMNLFPEWZSUDT-HNNXBMFYSA-N 352.346 0.922 0 40 FCAB C[C@@H]1C[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 6640344 SXWLSOJOHZKEMY-UKRRQHHQSA-N 366.439 0.719 0 40 FCAB NC(=O)[C@H]1CN(C(=O)CSc2nnc(N)s2)c2ccccc2O1 10790016 SKQTWNOWTFWPNR-SECBINFHSA-N 351.413 0.492 0 40 FCAB O=C(C[C@@H](NCCCN1CCOCC1)C(=O)O)Nc1cccc(O)c1 24148210 XVDMWNKROVPUKH-OAHLLOKOSA-N 351.403 0.486 0 40 FCAB O=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1cccc(F)c1 24251358 CADFCDKLRILINH-UHFFFAOYSA-N 350.394 0.834 0 40 FCAB O=C(C1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N1CCOCC1 58005403 QOILRVRBQKGQTA-UHFFFAOYSA-N 362.455 0.827 0 40 FCAB NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)cc1 58194701 UDXZNYPLVJEJES-INIZCTEOSA-N 373.434 0.865 0 40 FCAB O=C(CCNS(=O)(=O)c1cccnc1)N(C[C@@H]1CCOC1)C1CC1 58365109 YZZRQZDNEWRTRR-ZDUSSCGKSA-N 353.444 0.778 0 40 FCAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)Cc1ccccn1)C2 96050321 CKSFAMRBZHYIFK-FQEVSTJZSA-N 365.437 0.969 0 40 FCAB Cc1cc(NC(=O)CN(C)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)no1 102190874 FPDGWGBGGDDJET-GREKMHCPSA-N 372.381 0.187 0 40 FCAB C[C@@H](CNS(=O)(=O)c1ccc(C(=O)O)cc1F)CN1CCOCC1 273691061 MDDKQZSTYKDPMZ-NSHDSACASA-N 360.407 0.771 0 40 FCAB CC(C)Cn1nc2n(c(=O)c1=O)C[C@]1(CCN(Cc3ccccn3)C1)OC2 306136490 PUUGQGLYUQHSHR-LJQANCHMSA-N 371.441 0.631 0 40 FCAB CCS(=O)(=O)NC[C@@H]1CN(Cc2cccnc2OC)Cc2ccnn21 306136915 QGSFNWCUSXSVJK-OAHLLOKOSA-N 365.459 0.783 0 40 FCAB CCOc1ncccc1C(=O)N1CC[C@H](N(C)Cc2cc(O)nc(N)n2)C1 504535551 BUZYGEKUVWJPMM-ZDUSSCGKSA-N 372.429 0.905 0 40 FCAB NC(=O)C1(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 676184263 YOMJILSGFDPMEE-CQSZACIVSA-N 365.455 0.363 0 40 FCAB CC(=O)N1CCC(N2C[C@@H](O)[C@H](n3ccc4c(C(N)=O)ccnc43)C2)CC1 1615152350 ATUXOSSXJHEWHJ-IAGOWNOFSA-N 371.441 0.364 0 40 FCAB CCc1ncnc(N2C[C@H]3CN(c4cc(=O)n(C)c(=O)n4C)C[C@@H]3C2)c1F 1888842817 HMJAIUOMHMJITC-VXGBXAGGSA-N 374.420 0.148 0 40 FCAB CC(=O)c1cc(C(=O)N2C[C@H]3OCCN(Cc4ccncc4)[C@@H]3C2)n[nH]1 2055747917 ZHRSZQUMQXUYEH-IAGOWNOFSA-N 355.398 0.733 0 40 FCAB CCOc1ccc(NC(=O)c2nnc3c(C(=O)NC)ncn3c2N)cc1 1414273 MIUBDCOUQJZBDL-UHFFFAOYSA-N 355.358 0.717 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O 2357771 ICGFHVUHHPOZQA-HNNXBMFYSA-N 352.350 0.604 0 40 FCAB O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)NCc1ccc2c(c1)OCO2 3339155 CBPIXUDDUQLCGM-MRXNPFEDSA-N 363.395 0.459 0 40 FCAB COc1ccc(Cl)cc1C(=O)OCC(=O)NC(=O)CN1CCCC1=O 3449275 YKVIOAMJMFWOBJ-UHFFFAOYSA-N 368.773 0.771 0 40 FCAB COC(=O)[C@]1(CO)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 4884124 USVWRFCLHXFEDW-KZTGVZKYSA-N 352.774 0.119 0 40 FCAB COC(=O)CNC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 4999852 DZWWDZFFINWRLZ-UHFFFAOYSA-N 371.349 0.094 0 40 FCAB NC(=O)c1ccsc1NC(=O)COC(=O)CN1CCCCCC1=O 5539339 CNVAUMACIJKEMW-UHFFFAOYSA-N 353.400 0.731 0 40 FCAB CCCn1c(N)c(C(=O)CN(C)Cc2ccc(OC)cc2)c(=O)[nH]c1=O 7699031 JVFDLIOFCJIDCN-UHFFFAOYSA-N 360.414 0.852 0 40 FCAB Cn1nnnc1SCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13411338 BNCWYKNAOSSWOB-LBPRGKRZSA-N 360.399 0.596 0 40 FCAB CC(C)(CNC(=O)Cn1nc(-c2ccccc2)oc1=O)N1CCOCC1 14184784 PGDRUWXHNNPCMP-UHFFFAOYSA-N 360.414 0.730 0 40 FCAB CCN1C[C@H](CN(C)CC(=O)NC(=O)NCCOC)Oc2ccccc21 15524888 PAWWMEBNLBLJML-AWEZNQCLSA-N 364.446 0.678 0 40 FCAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccccc1 20636864 WIYSVAUOZLWRKP-CABCVRRESA-N 358.398 0.167 0 40 FCAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC2CCN(C(C)=O)CC2)C1 40086213 VZRXRFJCOIKUMH-CYBMUJFWSA-N 361.464 0.107 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)C1CCOCC1)C2 96050409 VXCUGINURUNSMM-SFHVURJKSA-N 361.446 0.096 0 40 FCAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1ccoc1)C2 96050414 YIZBGNHFIYGNNL-GOSISDBHSA-N 357.414 0.853 0 40 FCAB Cc1nnc(C[C@H]2C[C@H]3CN(S(=O)(=O)c4cccnc4)C[C@H]3O2)o1 96217648 UKALFFPQAKOWKK-OUCADQQQSA-N 350.400 0.794 0 40 FCAB Cc1ccccc1-c1cc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)n[nH]1 223285677 UCBVLFQLOITQLY-UHFFFAOYSA-N 361.383 0.871 0 40 FCAB Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@@H](CNS(C)(=O)=O)C1 251978478 FHLGSKTZNBUUIM-LBPRGKRZSA-N 367.431 0.309 0 40 FCAB Cc1cc(CN2Cc3ccnn3[C@H](CNS(=O)(=O)C3CC3)C2)no1 306136922 QGVFIWRJZUACMO-CQSZACIVSA-N 351.432 0.818 0 40 FCAB Cn1nccc1C(=O)N1CC[C@H]2O[C@@H](C(=O)NCc3ccccn3)CC[C@H]21 585108720 IPLXTQLBPILEJI-DJIMGWMZSA-N 369.425 0.894 0 40 FCAB CCOc1ccc(C(=O)N(C)C2CN(c3ccc4nnc(C)n4n3)C2)nn1 1565519135 DVVJBAQFLHJZCT-UHFFFAOYSA-N 368.401 0.582 0 40 FCAB CC[C@@H]1OC2(CCN(C(=O)c3c(OC)ncnc3OC)CC2)NC1=O 1615593249 ZNPLBRWUPBYLQJ-JTQLQIEISA-N 350.375 0.351 0 40 FCAB CCc1cc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)ncn1 1888857130 RTYDOKILZNEPIW-UHFFFAOYSA-N 355.446 0.992 0 40 FCAB Cn1cnc2c(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)ncnc21 2086950828 VZOYAPHMUHWQGK-NSHDSACASA-N 366.372 0.826 0 40 FCAB CCOC(=O)c1ccc(N2C(=O)C=C(N3CCC[C@H](C(N)=O)C3)C2=O)cc1 4770842 VGWFZLMANWLYQZ-ZDUSSCGKSA-N 371.393 0.818 0 40 FCAB CC(=O)OC[C@@H]1O[C@@H](n2ccnc2S)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5423731 HRGXUZGRRGADBL-ZDEQEGDKSA-N 358.372 0.496 0 40 FCAB COCCCNC(=O)Cn1c(=O)c2c3c(sc2n(C)c1=O)CCCC3 6759003 LWMPOQKVXWBIDF-UHFFFAOYSA-N 365.455 0.793 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCOC 6879261 LVAXWKQOAODIRB-SNVBAGLBSA-N 364.427 0.979 0 40 FCAB CC[C@H](C)NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C 7777258 GMEDKGYJPSVWKR-NSHDSACASA-N 358.464 0.436 0 40 FCAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCCN1CCCC1=O 14086537 PAPTYJFIHJJXQN-UHFFFAOYSA-N 364.446 0.760 0 40 FCAB COCCNC(=O)NC(=O)COC(=O)CNC(=O)c1cc(C)cc(C)c1 21681681 XLSAJVZWRIAXSF-UHFFFAOYSA-N 365.386 0.049 0 40 FCAB CCCNC(=O)CN1CCN(C[C@@H](O)COCc2ccccc2F)CC1 25231581 NDMLWXNKIDEQDH-QGZVFWFLSA-N 367.465 0.847 0 40 FCAB CN(C)CCCN1CN=C(NS(=O)(=O)c2ccc(Cl)cc2)NC1 30874877 XLYXXPVJYGFDGS-UHFFFAOYSA-N 359.883 0.746 0 40 FCAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](NS(C)(=O)=O)C2)C1 34887431 OKAPYBUTZSRMQR-UPJWGTAASA-N 353.510 0.223 0 40 FCAB CCn1c(=O)n(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc21 54834574 PEYJPWLYTGSCTG-MRXNPFEDSA-N 351.428 0.516 0 40 FCAB COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCS(=O)(=O)CC2)cc1 57846267 UDQZJFVIKKDKDW-LBPRGKRZSA-N 354.428 0.208 0 40 FCAB CN([C@H]1CCNC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 71310427 WUVPCWSBOPLQFM-VIFPVBQESA-N 352.865 0.726 0 40 FCAB COc1ccccc1OCC(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 75163089 KVYVBIJEQRAIHW-UHFFFAOYSA-N 355.354 0.992 0 40 FCAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(S(C)(=O)=O)C2 96050174 SILSANYZVJEWEP-MRXNPFEDSA-N 351.428 0.286 0 40 FCAB CCS(=O)(=O)N1CCc2nc(N3CCCC3)nc(N(C)C)c2CC1 96254595 BEDQLRTXEPVNPM-UHFFFAOYSA-N 353.492 0.893 0 40 FCAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCCO 225209287 YMJYIDUKOYAALR-UHFFFAOYSA-N 359.473 0.758 0 40 FCAB Cc1ccccc1C[C@]1(CO)CN(C(=O)CCn2nnnc2C)CCO1 585276756 DOVRYIRXBNIYEG-GOSISDBHSA-N 359.430 0.513 0 40 FCAB Cc1cc(C)n(C)c(=O)c1C(=O)N(CC(C)C)[C@@H]1COC[C@@H](O)[C@H]1O 585285282 AVFKWVKUOHWNFF-FMKPAKJESA-N 352.431 0.221 0 40 FCAB CS(=O)(=O)c1c[nH]nc1[C@H]1CCN(C(=O)CCCn2ccnc2)C1 607854007 MQAVAFKRUZLNNK-LBPRGKRZSA-N 351.432 0.806 0 40 FCAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)O)cn1 618191337 UHXGIKWZCHLBSQ-LBPRGKRZSA-N 355.416 0.714 0 40 FCAB CCc1nc(NC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)sc1C 626412235 ROVTWBADCDGLMV-SNVBAGLBSA-N 362.477 0.796 0 40 FCAB O=C(NCCn1cnc2ccccc2c1=O)c1ccc2nnc(O)n2c1 670416492 GGULXYBBWXOBRW-UHFFFAOYSA-N 350.338 0.575 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 1142529225 KTTBHGKNYNCXQT-OAHLLOKOSA-N 364.467 0.944 0 40 FCAB CN(C)S(=O)(=O)N1C[C@@H](C(=O)NCc2ccco2)C[C@H]2OCC[C@H]21 1251064560 SBJTWDNAUJIEPX-IACUBPJLSA-N 357.432 0.182 0 40 FCAB O=C(CCc1cncnc1)N1CCOC[C@@]2(C1)CN(CC1CC1)C(=O)CO2 1565548163 YVCFPIRPLOULOA-LJQANCHMSA-N 374.441 0.276 0 40 FCAB CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1C 851787 KEWWBOJCRBVKLD-UHFFFAOYSA-N 355.398 0.795 0 40 FCAB biogenic CC(C)[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 1466602 FPEQJDJUZGRSSZ-RISCZKNCSA-N 364.423 0.611 0 40 FCAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nc2ccccc2o1 3307266 LDPCMUATBRHTRT-LLVKDONJSA-N 363.395 0.810 0 40 FCAB COC(=O)/C=C(C(=O)OC)/C(C(=O)OC)=C1\Nc2ccccc2NC1=O 4171480 IXUKXGUQBNMNHS-NRSBDZSJSA-N 360.322 0.750 0 40 FCAB CN(C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 4392111 IILOHQYDTDEEKN-LLVKDONJSA-N 350.396 0.318 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4504858 QHMLYWYCSHZJDR-CYBMUJFWSA-N 374.484 0.634 0 40 FCAB CCOc1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4732095 NRYOTFRRXJJZRA-UHFFFAOYSA-N 371.397 0.861 0 40 FCAB COC(=O)C1=NN(CCC(C)=O)[C@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]12 5023558 PQTJGXRJALZIPU-GDBMZVCRSA-N 371.393 0.985 0 40 FCAB COc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1S(N)(=O)=O 6602194 MGVYVHXFFOJERQ-UHFFFAOYSA-N 369.443 0.978 0 40 FCAB O=C([C@@H]1CN(CC(=O)N2CCNC2=O)c2ccccc2O1)N1CCCCC1 8727199 VPKQPLPXAKWMQT-INIZCTEOSA-N 372.425 0.818 0 40 FCAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N1 9939426 MPXXYVFAPHCBIE-ZWNOBZJWSA-N 366.395 0.907 0 40 FCAB COC(=O)[C@]1(CO)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 12495846 USVWRFCLHXFEDW-XSUJLISDSA-N 352.774 0.119 0 40 FCAB CCN(CC)C(=O)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 12971712 AUYXNWSBZUZJNC-ZDUSSCGKSA-N 374.484 0.634 0 40 FCAB COC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14673907 CWTZKRMWNZIHIG-UHFFFAOYSA-N 361.347 0.176 0 40 FCAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)COC)C1)C2=O 19700022 PDIRACWJJZYKFH-AWEZNQCLSA-N 366.462 0.420 0 40 FCAB Cc1nc(N2CCOCC2)ncc1-c1ccnc(N2CCN(C)CC2)n1 19960256 RWHPVJYHVOSEBS-UHFFFAOYSA-N 355.446 0.830 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)c2cnc3sccn3c2=O)cc1 28223144 PTRBUWQPKJRFJT-UHFFFAOYSA-N 364.408 0.333 0 40 FCAB Cc1cc(Cc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(=O)[nH]n1 33321238 IQPBRXBGRUYIKD-UHFFFAOYSA-N 362.455 0.605 0 40 FCAB CC1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 84698034 BPBZZVWXWBOAMW-HOTGVXAUSA-N 358.504 0.913 0 40 FCAB COC(=O)[C@@H]1CS(=O)(=O)CCN1CCCOc1ccc(OC)cc1 95941549 BTBWWJXYHBCTHH-HNNXBMFYSA-N 357.428 0.736 0 40 FCAB Cn1cc(C(=O)NCc2cn3c(n2)CN(Cc2cccnc2)CC3)cn1 96059514 FMIBHCKXZONJCI-UHFFFAOYSA-N 351.414 0.957 0 40 FCAB CS(=O)(=O)NC[C@]12COC[C@H]1CN(C(=O)/C=C/c1cccs1)C2 96108360 FKEIYHKGYHSBLC-WNTXTPNSSA-N 356.469 0.786 0 40 FCAB O=C(NCCN1CCCC1)C1=NO[C@@]2(CCN(c3ncc(F)cn3)C2)C1 96225576 AMTGXHFHUZTOKU-KRWDZBQOSA-N 362.409 0.553 0 40 FCAB CCCNC(=S)N1C[C@@]2(C)CN(C(=O)C(=O)OC)C[C@](C)(C1)C2=O 100509563 FDTRTJWWKDMALN-HZPDHXFCSA-N 355.460 0.183 0 40 FCAB CN1CCC2(CC1)CN(C(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1)CCN2C 106727524 LLNFKKKMXMIRTO-QZTJIDSGSA-N 370.497 0.755 0 40 FCAB CCc1n[nH]c(C(=O)N2CCC[C@@](O)(CN3CCN(C)CC3)CC2)c1C 257277018 NWCYXABPJMEWEQ-IBGZPJMESA-N 363.506 0.885 0 40 FCAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3cn(C)cn3)CC2)OC[C@]1(C)O 257331793 XUGZHZNPYYKTDO-HOCLYGCPSA-N 350.419 0.071 0 40 FCAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CS(=O)(=O)NCc2cnn(C)c2)C1 521396675 LMOCRFBUYHVZAW-VNHYZAJKSA-N 354.476 0.734 0 40 FCAB CN1CC2(CN(C(=O)C3CCC3)C2)OC[C@@H]1C(=O)NCc1cccnc1 575406339 NLSDLUVLSFPPIT-MRXNPFEDSA-N 358.442 0.410 0 40 FCAB COCC(=O)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)c1ccccc1)C2 604381807 PHFNOERJNIZKJQ-MRXNPFEDSA-N 359.426 0.071 0 40 FCAB biogenic,in-vitro CN1CCO[C@H](CS(=O)(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)C1 632256013 JHZVLVYXUZFUAC-AVGNSLFASA-N 374.425 0.720 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(S(=O)(=O)c2cccc(COC)c2)C1 643695660 WADIPMMDVFQICC-INIZCTEOSA-N 356.444 0.485 0 40 FCAB O=C1N[C@H](C(F)(F)F)CC[C@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 670405478 HPZBMMRQXCHKOD-BDAKNGLRSA-N 362.308 0.938 0 40 FCAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1(OCCO)CCCC1 888106891 CGWATKYISGXEPA-UHFFFAOYSA-N 364.398 0.469 0 40 FCAB C[C@H]1OC2(CCN(C(=O)c3ccc(-c4ncn(C)n4)cc3)CC2)NC1=O 1615588325 BPFPUUHRMNYFDV-GFCCVEGCSA-N 355.398 0.949 0 40 FCAB Cn1cc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@H]3OCC(=O)NC[C@H]32)cn1 2037984425 BBIYCKCTNMBIST-BFYDXBDKSA-N 358.373 0.682 0 40 FCAB CCN1C[C@@]2(COCCN(C(=O)c3cccc(Cl)n3)C2)OCC1=O 2055784335 KIWUXKDZKRHECH-MRXNPFEDSA-N 353.806 0.825 0 40 FCAB O=C(COC(=O)c1c[nH]c(=O)[nH]c1=O)Nc1nc(-c2ccccc2)cs1 3332279 FEJPZSLRVUQOJH-UHFFFAOYSA-N 372.362 0.982 0 40 FCAB O=C1c2ccccc2S(=O)(=O)NN1CC(=O)N1CCc2ccccc21 3397329 GEAWBBOMQBLYPG-UHFFFAOYSA-N 357.391 0.925 0 40 FCAB O=C(O)/C=C(\C(=O)O)[C@@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@@H]1[C@@H]5[C@@H]4C[C@@H]32 5049464 LBAWZETUMGOMOM-QMNGZILDSA-N 374.393 0.006 0 40 FCAB in-vitro NC(=O)c1c(NC(=O)COC(=O)c2nccnc2N)sc2c1CCC2 5321907 NGKVAAHFQZYHKH-UHFFFAOYSA-N 361.383 0.503 0 40 FCAB Cc1ccnc2nc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)nn12 5974196 AHKWGBUCXNEOKW-UHFFFAOYSA-N 360.399 0.935 0 40 FCAB CC1(C)Cc2c(sc(NC(=O)C(=O)NCCCO)c2C(N)=O)CO1 6758089 FSTNLNYQKQVSAT-UHFFFAOYSA-N 355.416 0.135 0 40 FCAB C[C@H]1CCCN(C(=O)CN2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)C1 12144571 CNUUQQIDHVIIFB-AWEZNQCLSA-N 359.474 0.987 0 40 FCAB O=C(c1ccccn1)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 12322053 XCONCMPNNVPKIV-UHFFFAOYSA-N 373.394 0.765 0 40 FCAB CC1(C)CC(=O)[C@H]([C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)CO1 19932585 VYIYNYDSVFPMOK-QRWLVFNGSA-N 374.437 0.895 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NC(C)(C)C)cc1 22228127 LRQGWHYOHZBPMK-UHFFFAOYSA-N 369.487 0.947 0 40 FCAB O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)NCc1ccccc1 22800935 KKEJJQLZHBBVDU-UHFFFAOYSA-N 358.486 0.933 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 23111192 CBCBKWYTPSGYKY-OCCSQVGLSA-N 372.468 0.143 0 40 FCAB O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCN(c2nccs2)CC1 25233029 YIJCXTNDUFPXSE-CYBMUJFWSA-N 372.450 0.922 0 40 FCAB CC(C)c1ccccc1NC(=O)Cn1c(=O)c(N(C)C)c(N)n(C)c1=O 32682477 DLTAWKBYFALAHC-UHFFFAOYSA-N 359.430 0.957 0 40 FCAB CCOC(=O)[C@H]1CCCN(CC(=O)NN2C(=O)N[C@@](C)(CC)C2=O)C1 32753255 KPDOULXHSFDVSR-ZBEGNZNMSA-N 354.407 0.013 0 40 FCAB Cc1ccccc1C(=O)NC1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 42919708 ZFEYHPKFRCQFSG-UHFFFAOYSA-N 372.425 0.610 0 40 FCAB CS(=O)(=O)N[C@@H]1CCCN(CCCc2nnnn2-c2ccccc2)C1 48310045 JLPSAKVDPSPPSY-CQSZACIVSA-N 364.475 0.609 0 40 FCAB CN1CCN(S(=O)(=O)N2CCN(Cc3ccncc3Cl)CC2)CC1 75625501 LBKUOPPGWHDYCQ-UHFFFAOYSA-N 373.910 0.345 0 40 FCAB COC(=O)C1(O)CCN(CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)CC1 95455794 FSZAWLFHRZMLNP-OLZOCXBDSA-N 355.435 0.391 0 40 FCAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NC4CCN(C)CC4)O[C@@H]3C2)nn1 96042774 ROEHKMDTYWDOBN-USXIJHARSA-N 359.474 0.979 0 40 FCAB CC1=NNC(=O)[C@H]1CCC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2 100786836 IOKJGFSPECOPRH-ZDUSSCGKSA-N 364.427 0.849 0 40 FCAB COc1cc(/C=C\C(=O)N2CCN(CC(=O)O)CC2)cc(OC)c1OC 144723003 XDCDHIJFRRLVST-PLNGDYQASA-N 364.398 0.954 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccc(OC)c(F)c3)C2)CN1C 248080553 PNYMFJAZDPZLGZ-ZDUSSCGKSA-N 351.378 0.106 0 40 FCAB CC(C)(NC(=O)Cc1ccccc1F)C(=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O 257214079 CKLCCJSEAOIREW-IIAWOOMASA-N 352.406 0.654 0 40 FCAB CS(=O)(=O)NCC(=O)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257273780 NIDUOFQNMFQSKV-LLVKDONJSA-N 353.404 0.038 0 40 FCAB CCS(=O)(=O)NC[C@@H]1CN(Cc2cc(C)nn2C)Cc2cncn21 306140376 URKVRYZLURMRHT-OAHLLOKOSA-N 352.464 0.421 0 40 FCAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(COC(C)=O)C=C[C@H]3O2)c1 409276997 YRLBKEPGXZZNSJ-GPINWOSQSA-N 371.345 0.849 0 40 FCAB Cn1c(CCNS(=O)(=O)N2CCC[C@H]2C(=O)O)nc2c(F)cccc21 565419723 XCKYUGQEIBCVPJ-LBPRGKRZSA-N 370.406 0.638 0 40 FCAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c12 572258375 OUYCMGCVDBOTLK-DGCLKSJQSA-N 355.398 0.793 0 40 FCAB O=C(O)C[C@]1(NS(=O)(=O)c2cnn(-c3ccccc3)c2)CCOC1 572714663 UHLQMCUYPLPIMG-OAHLLOKOSA-N 351.384 0.784 0 40 FCAB Cc1ccc(CN(N[C@@H]2CCS(=O)(=O)C2)[C@H]2CCS(=O)(=O)C2)cc1 575420730 JUHSYIZVNYWCEP-CVEARBPZSA-N 372.512 0.676 0 40 FCAB O=C(NC1CCN(Cc2ccncc2)CC1)[C@H]1CCc2nnnn2CC1 578633199 GMZYCMWNSSEBFZ-HNNXBMFYSA-N 355.446 0.801 0 40 FCAB O=C1[C@H]2Nc3nc(N4CCOCC4)nc(O)c3[C@H]2C(=O)N1c1ccccc1 618257283 UAPKHHLJBGOBQQ-YPMHNXCESA-N 367.365 0.470 0 40 FCAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(S(=O)(=O)c2cnn(C)c2C)C1 644211780 ZBEDKMAOCFQFJM-NEPJUHHUSA-N 366.447 0.875 0 40 FCAB C=CC(=O)NCCC(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1520992242 JJAMPCRSPJNUHF-MFKMUULPSA-N 368.377 0.647 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1Cc2c(N3CCCC3)ncnc2-n2nccc2C1 1565546249 WNGTXHUCHGEJDE-ZSHCYNCHSA-N 366.425 0.997 0 40 FCAB O=C(c1cncc(F)c1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888901352 YRRTVJJDAMEKPY-STQMWFEESA-N 353.361 0.867 0 40 FCAB COc1ccnc(N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)n1 1889098700 UYBGGPCIBVPWRD-UHFFFAOYSA-N 371.445 0.747 0 40 FCAB CN(C)CC(=O)N1CCC[C@@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055772440 JAKVUNXCXHQRFV-CQSZACIVSA-N 361.368 0.441 0 40 FCAB O=C1NC(=O)[C@@](Cc2ccc(N(CCO)CCO)cc2)(c2ccccc2)N1 2046047 NONYFTYHNZJDQV-HXUWFJFHSA-N 369.421 0.755 0 40 FCAB Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NC2CC2)cc1 4285026 KYXUHZTWZGJWEK-GFCCVEGCSA-N 354.428 0.874 0 40 FCAB O=C(OCC(=O)N1CCNC1=O)c1ccccc1I 6461542 WGBCZIQRCFIJOB-UHFFFAOYSA-N 374.134 1.000 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)N(C2=CCCCC2)C2CC2)n(C)c1=O 6657963 UEFKHDLRAAMPKW-UHFFFAOYSA-N 357.414 0.883 0 40 FCAB COC(=O)c1c(NC(=O)C(=O)NCCCO)sc2c1CC(C)(C)OC2 6764469 TYYQUCPEQFGBQV-UHFFFAOYSA-N 370.427 0.823 0 40 FCAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NC(=O)NC1CC1 9913099 FAEGBKQBGDNYTH-GOSISDBHSA-N 356.382 0.758 0 40 FCAB CN(C)c1nc(N)nc(COC(=O)CCN2C(=O)c3ccccc3C2=O)n1 11273268 HJAOIFLKVHPBEH-UHFFFAOYSA-N 370.369 0.249 0 40 FCAB CCOC(=O)CCCNC(=O)COC(=O)c1cccc(-n2cnnn2)c1 12795922 XRKOJJPXFAWWED-UHFFFAOYSA-N 361.358 0.279 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2)CC1 15323927 GZHIHKLIRZQOEB-UHFFFAOYSA-N 356.400 0.936 0 40 FCAB CC1=NCCN1S(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 19796392 XXVJPZVLKVLLDS-SNVBAGLBSA-N 371.440 0.422 0 40 FCAB Cn1c(NC(=O)CSc2nnc(-c3ccco3)o2)cc(=O)n(C)c1=O 36646359 BNWYAOALHYWXSP-UHFFFAOYSA-N 363.355 0.458 0 40 FCAB biogenic,in-vitro CCOc1ncccc1NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 48200938 QFFGHYUDLOEFNY-LLVKDONJSA-N 370.431 0.295 0 40 FCAB CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(F)cc1 57745090 DOSHFDASTIPZMQ-UHFFFAOYSA-N 359.361 0.626 0 40 FCAB CC(=O)NCCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 58282159 ISKISXLRRVPNTO-UHFFFAOYSA-N 366.849 0.631 0 40 FCAB COC(=O)N1CCCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 60345179 YCVCCELLMCREBR-HNNXBMFYSA-N 358.402 0.758 0 40 FCAB O=C(C[C@@H]1CCS(=O)(=O)C1)NC1CCN(C(=O)c2ccco2)CC1 73420415 NCSOOOBFDPTBGV-LBPRGKRZSA-N 354.428 0.825 0 40 FCAB Cn1nc(C(=O)N2CCCSC[C@H]2CN2CCOCC2)ccc1=O 85473298 XBKZXKYWUJQVDE-CYBMUJFWSA-N 352.460 0.060 0 40 FCAB CN1CCO[C@H](C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 95450867 JRFIYLMBKLNMKW-HNNXBMFYSA-N 353.444 0.125 0 40 FCAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCCN1CCOCC1 95477002 NRXQEDFZQIPHPA-MRXNPFEDSA-N 374.441 0.192 0 40 FCAB O=C(Nc1ccccc1Cl)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 95981274 COACEOVBEYFNLS-ZIAGYGMSSA-N 373.862 0.647 0 40 FCAB COc1ccc(CN2CCO[C@@]3(COCCN(S(C)(=O)=O)C3)C2)cc1 96049875 MPPMUCAVNSQSDJ-KRWDZBQOSA-N 370.471 0.558 0 40 FCAB CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCCCc2cn[nH]n2)CC1 97162166 YRFPBMAYIAUGHZ-GFCCVEGCSA-N 351.407 0.140 0 40 FCAB CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2ccccc2F)C1=O)C(=O)O 101273644 NJEYIEBTIVHXNV-CMPLNLGQSA-N 354.359 0.780 0 40 FCAB Cn1ccnc1CN(C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CC1 105639439 QFIITHPCSLARTR-IYVPYFHTSA-N 354.410 0.718 0 40 FCAB CC(=O)Nc1ccn2ncc(C(=O)NCCCn3ncccc3=O)c2c1 244970299 HRYDLROIHSSZAX-UHFFFAOYSA-N 354.370 0.670 0 40 FCAB O=S(=O)(NC[C@H]1CO[C@@H]2CN(c3ncccn3)C[C@H]12)c1ccccc1 306138181 RRWHBYPDJJTPJX-NUEKZKHPSA-N 360.439 0.906 0 40 FCAB O=C(C1CC1)N1CC[C@]2(CCn3c2nn(Cc2ccccn2)c(=O)c3=O)C1 306141313 VRQKEYNUWRIOAO-IBGZPJMESA-N 367.409 0.132 0 40 FCAB C[C@H]1[C@@H](NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)CCN1Cc1ccccc1 333485906 IBLUGODUHBQYHJ-DKIMLUQUSA-N 372.469 0.948 0 40 FCAB O=C(NCCNc1ncccn1)c1c(-n2cnnn2)sc2c1CCC2 524732284 FVSUJBCJJCFVJL-UHFFFAOYSA-N 356.415 0.844 0 40 FCAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cc(C2CC2)[nH]n1 575617168 QAGQSDYIKAWDPK-ZDUSSCGKSA-N 352.460 0.668 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1CCN(c2cc3c(nn2)CCC3)CC1 585150297 JWPTXNVJWGIYRE-CQSZACIVSA-N 364.471 0.485 0 40 FCAB O=c1ccc(-n2cccn2)nn1CC1CCN(CC2(O)CCOCC2)CC1 585501534 HUCPBCSAEVRFAV-UHFFFAOYSA-N 373.457 0.683 0 40 FCAB CN(C)S(=O)(=O)N1Cc2nnn(CC3CC3)c2[C@H](COCC2CC2)C1 2055750531 AUWGYTVVMAQGNC-AWEZNQCLSA-N 369.491 0.820 0 40 FCAB Cc1ccc(S(=O)(=O)N(C#N)c2nc(N(C)C)nc(N(C)C)n2)cc1 837208 OUWDFQKQTCJNSR-UHFFFAOYSA-N 361.431 0.988 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3c(Cl)cnn3C)[C@@H]2SC1 2752042 QCWDXOZIIAXUNK-MADCSZMMSA-N 356.791 0.446 0 40 FCAB COc1ccc(C(=O)NCCNC(C)=O)cc1S(=O)(=O)N1CCCC1 3413864 ONUBETLCJSRBDL-UHFFFAOYSA-N 369.443 0.346 0 40 FCAB CC(C)n1cnnc1SCCCn1c(=O)c2c(ncn2C)n(C)c1=O 5254246 GXKNCFUHWGJQHF-UHFFFAOYSA-N 363.447 0.789 0 40 FCAB Cc1[nH]c(N)nc(=O)c1CCCNS(=O)(=O)c1ccc(CN)cc1 5891103 BJITWDCIAXNTIR-UHFFFAOYSA-N 351.432 0.030 0 40 FCAB Cc1cc(C)cc(OCC(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 6027366 QNNCQHLZTVUBNU-AWEZNQCLSA-N 369.439 0.871 0 40 FCAB COc1ccc(C)cc1NC(=O)[C@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C 7029309 MVERZBRIQSICCS-NSHDSACASA-N 371.397 0.950 0 40 FCAB Cc1ccc(CN(C)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 9156741 WZVKOHORFWPMMG-UHFFFAOYSA-N 355.398 0.401 0 40 FCAB Cn1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 12615010 HEJFDQBXXMTOOS-UHFFFAOYSA-N 372.406 0.511 0 40 FCAB CC[C@@H]1CN(C(=O)CCNC2=NS(=O)(=O)c3ccccc32)CCO1 12915574 AZWVZRREMUNLJX-GFCCVEGCSA-N 351.428 0.753 0 40 FCAB CCCCN1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20567253 NWFXSQZYYDXSSS-NFWAQSGPSA-N 370.409 0.083 0 40 FCAB Cn1ncc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1-n1cccc1 40079870 XZLJZFKDCVQHGP-OAHLLOKOSA-N 371.441 0.922 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC2CC2)cc1 55408406 CWRMWUGCIXXBSO-GJZGRUSLSA-N 372.468 0.336 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CNc2ccc(OC(F)F)cc2)CC1 58157946 FIKWUAOJACOXJQ-UHFFFAOYSA-N 363.386 0.804 0 40 FCAB COc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCOCC2)cc1 58166418 RTSOCIPZCXNABQ-CQSZACIVSA-N 372.468 0.618 0 40 FCAB NS(=O)(=O)c1ccc(CNCC(=O)NCCc2ccc(F)cc2)cc1 58170511 YMBJTMDBHGGXJS-UHFFFAOYSA-N 365.430 0.922 0 40 FCAB Cc1cc(C(=O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)c(C)s1 72313172 NYKQCUYHNSTGDI-NSHDSACASA-N 350.400 0.575 0 40 FCAB CN(C)CCN1C[C@@H](C(=O)N2CCCN(C3CCCC3)CC2)CC1=O 73880575 HXZOOYVSOKCXOG-INIZCTEOSA-N 350.507 0.873 0 40 FCAB CC(=O)NC[C@H]1CN(c2ccc(NCCOCC(=O)O)c(F)c2)C(=O)O1 77312551 GEFZWBCMTWREOP-LBPRGKRZSA-N 369.349 0.800 0 40 FCAB in-vitro C[C@H]1CN(C(=O)COC(=O)CCOc2ccccc2C(N)=O)C[C@@H](C)O1 89930243 ATBPBEIXHVZRFI-BETUJISGSA-N 364.398 0.733 0 40 FCAB CC(C)C(=O)N1CCN(S(=O)(=O)C2CC2)C[C@]2(CC(=O)N(C)C2)C1 96036082 RAGGWDURLPNTNW-INIZCTEOSA-N 357.476 0.127 0 40 FCAB C[C@@H](NC(=O)NC(=O)CSc1nc(N)nc(N)n1)[C@@H]1C[C@H]2CC[C@H]1C2 108845915 TYTOOKWAQOLAKV-KATARQTJSA-N 365.463 0.779 0 40 FCAB CCOCCOc1ccc(CN[C@@H]2C[C@@H](O)CN(C(C)=O)C[C@H]2O)cc1 257256309 KKXLPUSIEXRQHH-BHIYHBOVSA-N 366.458 0.534 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2nccnc2-c2ncc[nH]2)C1 257280019 OJDMTZVGPMFDHY-LBPRGKRZSA-N 350.448 0.928 0 40 FCAB O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(C4CCOCC4)C3)N2C1 514290123 UAHJNZLUOTXNJN-RBUKOAKNSA-N 358.486 0.566 0 40 FCAB biogenic,in-vitro CC(=O)c1ccc(S(=O)(=O)NCCOCCN2C(=O)CCC2=O)cc1 575621223 ZUZUSYDNLKXEIR-UHFFFAOYSA-N 368.411 0.333 0 40 FCAB CN1CCS(=O)(=O)C[C@@H]1CC(=O)N1CCC(c2ccnn2C)CC1 644357210 MNKGCIGGPAABHS-AWEZNQCLSA-N 354.476 0.245 0 40 FCAB Cn1cc(-c2nc(C(=O)N3CCN(c4cnn(C)c4)C(=O)C3)cs2)cn1 674252952 BKRCBURRHSPXQO-UHFFFAOYSA-N 371.426 0.766 0 40 FCAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565546267 XTJFNZFKSUVEIV-QXOCSCLMSA-N 355.438 0.829 0 40 FCAB Cn1cc(N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)c(=O)n(C)c1=O 1889116988 VDQWTQMNVLMQON-UHFFFAOYSA-N 374.416 0.551 0 40 FCAB COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)CC(C)C)CC1 2055746017 AFDFOKQLOIFFQH-UHFFFAOYSA-N 365.478 0.424 0 40 FCAB CCN(CC)C(=O)Cn1c(S(=O)(=O)CC(N)=O)nc2ccccc21 1443474 ZELJUQUTCKFVFK-UHFFFAOYSA-N 352.416 0.164 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCO)cc1 10128232 YGBKRSJEMJFCKT-QGZVFWFLSA-N 362.451 0.993 0 40 FCAB C[C@H]1NC(=S)N(c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 15569354 AQNYEGNAMYKAKA-SNVBAGLBSA-N 355.441 0.317 0 40 FCAB COc1ccccc1CNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 16973227 IJPBUJSOSHKAHG-UHFFFAOYSA-N 366.377 0.864 0 40 FCAB COc1ccc(N2C[C@H](NC(=O)N3CCN(CCO)CC3)CC2=O)cc1 22664474 ROSSNDZSHUFFGL-CQSZACIVSA-N 362.430 0.120 0 40 FCAB Cc1ccsc1C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 22698043 MMZJOJRYLSEHCP-LBPRGKRZSA-N 356.469 0.776 0 40 FCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(CCc3ccncc3)CC2)o1 40154118 VOXRWGDRRRSUCU-UHFFFAOYSA-N 364.427 0.323 0 40 FCAB O=C(NCCN1CCOCC1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 46121269 MXOJPTOXOUPPQX-GOSISDBHSA-N 359.470 0.916 0 40 FCAB COc1ncccc1NC(=O)C[C@@H](CN1CCN(C(C)=O)CC1)C(=O)O 72404296 IBLKOVGSJLYIHC-ZDUSSCGKSA-N 364.402 0.284 0 40 FCAB Cc1cccc(COC[C@]23COC[C@H]2CN(S(=O)(=O)N(C)C)C3)n1 96108940 ODFCGWLODDYYHT-ZBFHGGJFSA-N 355.460 0.661 0 40 FCAB Cn1cc(C(=O)O)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)n1 96124813 GWPUFPRNKRKZOF-UHFFFAOYSA-N 350.400 0.629 0 40 FCAB C[C@](O)(CNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 108457310 KMVHOFPAMDPLNQ-XAAHCIJYSA-N 354.406 0.817 0 40 FCAB COc1cccc2c1N(CCn1cnc3c1c(=O)n(C)c(=O)n3C)CCC2 182520203 FSFBDKFHLJRADS-UHFFFAOYSA-N 369.425 0.895 0 40 FCAB Cn1cnc(S(=O)(=O)NCCNC(=O)c2ccc3nsnc3c2)c1 206633683 LLKZJRMCHPPCQN-UHFFFAOYSA-N 366.428 0.133 0 40 FCAB O=C(NC[C@H]1CN(C2CCOCC2)Cc2ccnn2C1)c1ccnnc1 306133165 MDWFNZADMSLOAU-AWEZNQCLSA-N 356.430 0.714 0 40 FCAB CS(=O)(=O)N1C[C@@]2(CCN(S(=O)(=O)C3CC3)C2)c2ncccc21 306140278 UOSMHEOJHAJNHS-AWEZNQCLSA-N 357.457 0.297 0 40 FCAB CN1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccc(Cl)c3)[C@H]2O)CC1 514288616 JDQZIHQQUMFLTR-HRCADAONSA-N 368.865 0.837 0 40 FCAB biogenic,in-vitro Cc1ccc2nc(CN3CCN(C(=O)N4CCNCC4)CC3)cc(=O)n2c1 530227899 INDCGAAMBFLKKQ-UHFFFAOYSA-N 370.457 0.146 0 40 FCAB O=C(CCCO)NCCc1nc2ccccc2n1CC(=O)N1CCOCC1 575442904 WQTHSNRUKLSCFS-UHFFFAOYSA-N 374.441 0.326 0 40 FCAB COc1cccc(CCNC(=O)C[C@@]2(O)COCCN(C(C)=O)C2)c1 585280656 MTYBTBGUDRACPY-SFHVURJKSA-N 350.415 0.354 0 40 FCAB Cc1nc(CN2C[C@@H]3CN(C(=O)Cn4ccccc4=O)C[C@@H]3C2=O)cs1 1565555179 VJWJLJMBZXATTM-ZFWWWQNUSA-N 372.450 0.730 0 40 FCAB O=C(NCc1ccccn1)[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]2OCC[C@H]21 1614937812 KCWIPYGDJIWHMI-FQESAXDCSA-N 371.437 0.454 0 40 FCAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccc(O)cc3)CC2)O1 1614940983 WXSYVEYIMYLFSL-OAHLLOKOSA-N 370.409 0.865 0 40 FCAB CCN1CCC[C@H]1CNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1 3906623 ACXDNSCTSQYLOT-AWEZNQCLSA-N 374.441 0.550 0 40 FCAB Cc1cc(=O)n2ncc(C(=O)N[C@H](C)Cn3nnc4ccccc43)c2[nH]1 12183339 ZYQPQORNZHPADQ-LLVKDONJSA-N 351.370 0.894 0 40 FCAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(nnn2C)c1=O 12443931 MTWFRQZMZWRMPW-UHFFFAOYSA-N 356.342 0.340 0 40 FCAB Cc1c([C@H]2CCCN(C(=O)Cn3cccnc3=O)C2)n2c(nc1=O)CCC2 19554828 HZTGKJWKLDSJOW-AWEZNQCLSA-N 369.425 0.461 0 40 FCAB CN(C)C[C@@H](NC(=O)c1cccn(CC(=O)N(C)C)c1=O)c1ccccc1 19749963 IKFHEBNHDINFTO-QGZVFWFLSA-N 370.453 0.969 0 40 FCAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCOCC2)c1 23424103 WOHHNAOJNGQQPP-UHFFFAOYSA-N 361.851 0.861 0 40 FCAB O=C(Nc1ccccc1O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 24750236 IUAYHMCZFIOHBC-SNVBAGLBSA-N 351.384 0.496 0 40 FCAB CN(C)C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 29954173 CRFOENNBZFHBBN-OAHLLOKOSA-N 354.414 0.549 0 40 FCAB O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)N[C@@H]1CCS(=O)(=O)C1 30831811 GDRVDTYZMBRPTM-SECBINFHSA-N 357.457 0.044 0 40 FCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375096 AWHPEGKWPUMIRZ-KENJOHRFSA-N 370.409 0.081 0 40 FCAB CCOC(=O)C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1cccc(OC)c1 55537775 ANTMWYFSMHPJNK-AWEZNQCLSA-N 372.443 0.697 0 40 FCAB COCCNC(=O)c1ccc(NCC(=O)N2CCNC2=O)cc1Cl 55875260 HMANTIPZMPDLBB-UHFFFAOYSA-N 354.794 0.680 0 40 FCAB C[C@@]1(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)CCS(=O)(=O)C1 57442728 IEHHARRGPIVJCR-QGZVFWFLSA-N 369.462 0.641 0 40 FCAB CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)CC1 58024181 YBYJHIPEFXAVAV-CQSZACIVSA-N 360.476 0.850 0 40 FCAB COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)C)C1 58281605 WHRRJWQYLHLIPO-GFCCVEGCSA-N 354.428 0.962 0 40 FCAB C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cccc(S(C)(=O)=O)c1 72270258 XVCCIMKRXQYARS-CYBMUJFWSA-N 354.476 0.848 0 40 FCAB O=C(NCCN1C(=O)CCC1=O)NCc1ccc(-n2ccnc2)c(F)c1 73043732 JVICZVUKLYDKJQ-UHFFFAOYSA-N 359.361 0.960 0 40 FCAB Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1OC(C)C 95451709 FSZAPGIMEAOXFX-CQSZACIVSA-N 370.471 0.996 0 40 FCAB CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)N(C)C)C[C@@H]32)C(=O)N1CCOC 96261676 MWSCJWVHEJAQBI-DVOMOZLQSA-N 372.491 0.171 0 40 FCAB CC(=O)NCc1nccnc1C1CCN(C(=O)Cc2nonc2C)CC1 257210441 BUQDCXJJWYXZPD-UHFFFAOYSA-N 358.402 0.753 0 40 FCAB CC(=O)N[C@@]12CN(C(=O)CN)CC[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 257242239 IBQCELHGDZAWPL-BHIYHBOVSA-N 358.442 0.272 0 40 FCAB O=C(c1ccc2[nH]nnc2c1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257252392 JUQWZBPCKHCXDI-CYBMUJFWSA-N 354.370 0.927 0 40 FCAB CN1CCN(C[C@]2(O)CCN(C(=O)c3cnc(O)c(Cl)c3)C2)CC1 257267827 MIXOZSHZVJRTCI-MRXNPFEDSA-N 354.838 0.265 0 40 FCAB CS(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)cc1 280302473 VWFYRPAOGWINFU-UHFFFAOYSA-N 367.471 0.071 0 40 FCAB CCS(=O)(=O)N(CC(=O)NCCOC)c1ccc2c(c1)OCCO2 408706287 ZHNUAPCXWBLPOR-UHFFFAOYSA-N 358.416 0.377 0 40 FCAB CCOc1ncccc1CNC(=O)N1CCC[C@@](O)(CC(=O)N(C)C)C1 585088654 WYATXMAMQFTJKU-GOSISDBHSA-N 364.446 0.995 0 40 FCAB COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F 643971254 FPYGBFHNTHQGJQ-NSHDSACASA-N 371.337 0.693 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(F)cc2C)CCO1 648439391 XDIROEDBWAAFRD-CQSZACIVSA-N 352.362 0.908 0 40 FCAB CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H]1CCOc2c(C)cccc21 661060836 FSAWODZGYWJDFW-MGPQQGTHSA-N 354.428 0.930 0 40 FCAB Cn1c(-c2cc[nH]n2)nnc1N1CCC(N2CCCS2(=O)=O)CC1 668926085 JHPLYNQIGDUXOW-UHFFFAOYSA-N 351.436 0.210 0 40 FCAB CC1(C)NC(=O)N(CCCN2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)C1=O 671531725 XJQTWYXPUIKPFW-RBSFLKMASA-N 353.463 0.959 0 40 FCAB C[C@]1(C2CCN(c3ccc4nnc(C(F)F)n4n3)CC2)NC(=O)NC1=O 1116302743 FLQCZNLBUXQTPT-OAHLLOKOSA-N 365.344 0.876 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1 1152805764 NKVLPHJHBJMEBY-IUODEOHRSA-N 361.398 0.882 0 40 FCAB O=C([C@@H]1CN(c2ncc(Br)cn2)CCO1)N1CCOCC1 1889102305 AUTUBGHGQOBQTM-NSHDSACASA-N 357.208 0.303 0 40 FCAB c1cc(N2CCOCC2)nc(N2CCN(c3ccn4nccc4n3)CC2)n1 1889149153 LIGJOOKJJRGCLJ-UHFFFAOYSA-N 366.429 0.683 0 40 FCAB O=C(Nc1cccnc1)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713650 RDBNKPFGMMMXEQ-CYBMUJFWSA-N 355.398 0.952 0 40 FCAB CCCNC(=O)c1n[nH]c2c1C[C@@H](CNC(=O)CC1(O)CCC1)OC2 2055754599 HGLUCSACNIJKIN-NSHDSACASA-N 350.419 0.412 0 40 FCAB O=C(OCC(=O)N1CCCC1=O)c1ccc2c(=O)n3c(nc2c1)CCC3 3419686 UCYFAVYKWJNNNZ-UHFFFAOYSA-N 355.350 0.649 0 40 FCAB Cc1cc(C)n2nc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)nc2n1 4313212 CKHVNEOCJASGAM-SNVBAGLBSA-N 355.445 0.137 0 40 FCAB O=C1C[C@@H](N2CCOCC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1 4326680 ZTFYKGNSCIHYNK-MRXNPFEDSA-N 357.410 0.773 0 40 FCAB CCN(CC)CCS(=O)(=O)CCS(=O)(=O)CCN(CC)CC 4428771 JVOXUUXOLPQCPY-UHFFFAOYSA-N 356.554 0.500 0 40 FCAB CC(C)CNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 4569588 OUWQWQOVBLHPCJ-GFCCVEGCSA-N 373.500 0.790 0 40 FCAB CCNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cc(C)ccc1C 4569701 MMDNPXLUBYTWHL-AWEZNQCLSA-N 367.471 0.709 0 40 FCAB C[C@@H](O)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 12883664 LZBURFZSWMUWSF-JDSYJXLJSA-N 364.423 0.985 0 40 FCAB biogenic CCOC(=O)c1ccc(NC(=O)C[C@H]2SC[C@H](C(=O)O)NC2=O)cc1 13636858 UCYMAOWEWYCWLJ-VXGBXAGGSA-N 366.395 0.877 0 40 FCAB CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CN1CC(=O)NC1=O 19589224 DFUPKXMHMYUSIC-IIDMSEBBSA-N 374.416 0.766 0 40 FCAB CCCCN1C(=O)NC(=O)/C(=C(/CC)NCCCN2CCOCC2)C1=O 20266590 YXAIWTQYVRBQPL-CCEZHUSRSA-N 366.462 0.841 0 40 FCAB CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 30008317 DYXJJERMEGRTJO-UHFFFAOYSA-N 368.459 0.087 0 40 FCAB CS(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 35686174 KKUZSODJQPEQIE-UHFFFAOYSA-N 354.837 0.732 0 40 FCAB COCCNC(=O)NC(=O)CN1CCN(c2ccccc2Cl)CC1 36386248 HDHPDIRDRDKGJR-UHFFFAOYSA-N 354.838 0.934 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)N1 40033849 STEKBILHEZWPIY-AWEZNQCLSA-N 370.409 0.236 0 40 FCAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCCNC2=O)c1 40146136 QWTCBWZVJPRFAY-CYBMUJFWSA-N 373.862 0.989 0 40 FCAB CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 58441270 HJRYBSMLASLNHS-AWEZNQCLSA-N 369.443 0.646 0 40 FCAB CCS(=O)(=O)N1CCCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 75019365 NVJBNGHPVBFZTI-UHFFFAOYSA-N 364.493 0.083 0 40 FCAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CSc2nccc(=O)n2C1 85473921 GANBDJCNFXHNLT-JTQLQIEISA-N 355.383 0.580 0 40 FCAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1cnn2c1OCCC2 90583919 IAOSGQFQLNWJBF-UHFFFAOYSA-N 355.354 0.912 0 40 FCAB O=C(N[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1)c1cccnc1 96117017 KPPSKORLAHFKCF-HOTGVXAUSA-N 373.434 0.856 0 40 FCAB Cc1n[nH]c(-c2ccc(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)cc2)n1 101666125 CQYGGBBXBHDQSZ-AWEZNQCLSA-N 363.443 0.838 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)C(=O)[C@@H]2C(=O)Nc3ccccc32)cc1 102232497 RHGFQFAEBFSWOH-CYBMUJFWSA-N 359.363 0.578 0 40 FCAB CCOC(=O)C1=C[C@](C)(C(=O)OCC)Nc2c(nc(OC)[nH]c2=O)N1 102969318 QHRNOGTYRKVLBW-OAHLLOKOSA-N 352.347 0.385 0 40 FCAB CC(C)(C)OC[C@H](O)CN1CCN(CCNC(=O)C(F)(F)F)CC1 244942713 CWCFWFCXWAZFRM-GFCCVEGCSA-N 355.401 0.459 0 40 FCAB O=S1(=O)CC[C@@H](COc2ncccn2)C12CN(Cc1cccnc1)C2 247308283 HLEPTFSPZHASTI-HNNXBMFYSA-N 360.439 0.940 0 40 FCAB O=C(N[C@@H]1CN2CCOC[C@H]2[C@H]1OCc1ccccn1)c1cnccn1 247506835 RRZYVDHPZKKHNB-IKGGRYGDSA-N 355.398 0.270 0 40 FCAB O=C1CCCN1CC[C@H]1CCOC12CN(S(=O)(=O)c1cccnc1)C2 247851402 HLIUQIHNXGIRPL-AWEZNQCLSA-N 365.455 0.874 0 40 FCAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)CC(=O)NC2CC2)c1 264380544 BZFWSZWLPVCKSL-UHFFFAOYSA-N 374.484 0.606 0 40 FCAB CCN1C(=O)C(=C2C(=O)NC(=O)NC2=O)c2cc(Br)ccc21 409161183 KOZLCAMZDQOYGG-UHFFFAOYSA-N 364.155 0.935 0 40 FCAB COc1ccc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1C(=O)O 521402301 FFEJOEAGKWLQMO-LBPRGKRZSA-N 356.400 0.434 0 40 FCAB COc1cc(C)n(CCNC(=O)c2cccn3c(=O)cc(C)nc23)c(=O)c1 585365716 NTJQTWWSPLCWBK-UHFFFAOYSA-N 368.393 0.912 0 40 FCAB O=S(=O)(NCc1nc([C@@H]2CCCO2)n[nH]1)c1ccc2nc(O)[nH]c2c1 655630898 ZBLXUKBUXZXVRB-NSHDSACASA-N 364.387 0.717 0 40 FCAB Cc1nc(C(=O)N2C[C@H]3C[C@H]4[C@@](C2)(CN(C(C)C)S4(=O)=O)O3)cs1 1565547079 MYGKAUSUJBDHDS-OSAQELSMSA-N 371.484 0.857 0 40 FCAB COC1(CC(=O)N2C[C@H]3ON=C(C(=O)NCc4cccnc4)[C@H]3C2)CCC1 1565548662 HHQDYMXIQIDJTM-LSDHHAIUSA-N 372.425 0.870 0 40 FCAB O=C(c1ccc(O)nn1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615124125 CYXYPKFHAJNFNX-SFHVURJKSA-N 354.366 0.830 0 40 FCAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)Cn5cccn5)C[C@H]4C3)nn12 1888906375 YPQUFUFDCAIKFD-ZIAGYGMSSA-N 366.429 0.478 0 40 FCAB O=c1[nH]c2c(c(=O)[nH]1)S/C(=C1\Sc3[nH]c(=O)[nH]c(=O)c3S1)S2 1636583 KOEDIFVPIJLMTQ-BQYQJAHWSA-N 372.434 0.662 0 40 FCAB Cn1nc(Oc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)ccc1=O 4223088 NKHWIQDLEOREPN-UHFFFAOYSA-N 361.406 0.805 0 40 FCAB Cn1c(=O)c2[nH]c(NCCCOC(=O)c3cccs3)nc2n(C)c1=O 4741380 GTRXWXFWKBBMGE-UHFFFAOYSA-N 363.399 0.681 0 40 FCAB CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(C)c(C)c1 4945675 LRNWHIIZZSFIEP-LBPRGKRZSA-N 373.413 0.522 0 40 FCAB CCC(=O)N(CCCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8389805 KNRYVHRKXLITHU-UHFFFAOYSA-N 360.414 0.947 0 40 FCAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(N)=O)CC2)cc1 13098973 BAIPAELUJOQABC-UHFFFAOYSA-N 368.459 0.311 0 40 FCAB C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024624 WCKBTDOWSCYDFM-ZQEWAUOTSA-N 357.410 0.586 0 40 FCAB CCOC(=O)c1nnn(-c2nonc2N)c1CN1C[C@@H](C)O[C@H](C)C1 20494299 BEEBPFAIAXXKEL-RKDXNWHRSA-N 351.367 0.018 0 40 FCAB CCONC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 32848279 DQGMENWGJXXGRC-CQSZACIVSA-N 358.416 0.828 0 40 FCAB Cc1nn(C)cc1CN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)CC1 36610964 MZTPUDTWMWKCCL-OHFALNGGSA-N 358.442 0.896 0 40 FCAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccco1 37075256 LHZOPDLADNWFMB-UHFFFAOYSA-N 363.439 0.902 0 40 FCAB Cc1cc(=O)c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)nn1-c1ccccc1 39996380 OEQWFIWBSVRYIE-QGZVFWFLSA-N 361.423 0.848 0 40 FCAB CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)CC1 72260139 OUDZOPUUUWAWPE-UHFFFAOYSA-N 362.434 0.138 0 40 FCAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCCOCCS(C)(=O)=O)C1 72295485 OZYMEGIFBFHDMT-ZDUSSCGKSA-N 362.492 0.449 0 40 FCAB NC(=O)c1cn(C2CN(C(=O)COc3ccc4ccccc4c3)C2)nn1 95997885 QARVCFUEKFISTO-UHFFFAOYSA-N 351.366 0.993 0 40 FCAB CS(=O)(=O)N1CCOC[C@]2(CN(C(=O)c3ccsc3)CCO2)C1 96049883 VUULHJZGYXBHQX-AWEZNQCLSA-N 360.457 0.251 0 40 FCAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(S(=O)(=O)N(C)C)CC2 96260428 YBWUBDLBQYSQNA-UHFFFAOYSA-N 369.491 0.469 0 40 FCAB CCCNC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cnn1C 102015763 APUXDRCNECXRIV-YFKTTZPYSA-N 350.375 0.377 0 40 FCAB Cc1ccc(N([C@@H](C)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 408601634 AYUJHIWQVMGDED-HNNXBMFYSA-N 369.487 0.598 0 40 FCAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCCO)cc2)CC1 408610187 VDYOYWJDCWMRAB-UHFFFAOYSA-N 356.444 0.595 0 40 FCAB O=C(CCNC(=O)[C@@H]1CCCN1)NCc1cccc(Cn2ccnc2)c1 564909077 NPWTWKKBRUETIV-KRWDZBQOSA-N 355.442 0.806 0 40 FCAB CC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)O)C[C@]2(CCOC2)O1 576588966 WFCWDNOGJMJPMX-BZNIZROVSA-N 370.427 0.807 0 40 FCAB CN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@@H]1CCCN(c2ccccn2)C1 585182311 SVNNDJASQLNPIA-CYBMUJFWSA-N 359.430 0.839 0 40 FCAB CC(C)NC(=O)c1c2c(nn1C)CO[C@@H](CNC(=O)[C@@H]1CCOC1)C2 1565545036 CDZVSBPFFVLXCH-VXGBXAGGSA-N 350.419 0.152 0 40 FCAB Cn1cc(N2C[C@@]3(CCN(C(=O)c4cccn(C)c4=O)C3)CC2=O)cn1 1565550372 AOVCWKFLYUWTGP-SFHVURJKSA-N 355.398 0.388 0 40 FCAB Cc1ncnc(C(=O)NC[C@@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)c1C 1614934056 SHXNIZJXISUREP-CYBMUJFWSA-N 368.401 0.414 0 40 FCAB Cc1ccc(Cn2c(SCC(N)=O)nc3c2c(=O)n(C)c(=O)n3C)cc1 930486 CHBZWMJGVZRBII-UHFFFAOYSA-N 373.438 0.368 0 40 FCAB COC(=O)[C@@H]1CS[C@H](c2c(COP(=O)(O)O)cnc(C)c2O)N1 1608324 OTJUDGXSYPMNAZ-GZMMTYOYSA-N 364.316 0.582 0 40 FCAB Cc1cc(=O)[nH]c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n12 4249928 FRHXAFXWWFURRD-UHFFFAOYSA-N 373.394 0.863 0 40 FCAB CC1=NN(CC(=O)C(C)(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C 5148048 ATCWLFJFBPFFIY-SNVBAGLBSA-N 360.418 0.806 0 40 FCAB CN(C(=O)COc1ccc(-c2nnco2)cc1)[C@@H]1CCS(=O)(=O)C1 7393519 KXAIWNPTKXIXNY-GFCCVEGCSA-N 351.384 0.761 0 40 FCAB CCN(c1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)O 11693981 JBYNFFYBXYOTIJ-UHFFFAOYSA-N 357.370 0.676 0 40 FCAB COCCNC(=O)Cn1nc(C)c2cnn(-c3ccccc3C)c2c1=O 12228619 QHUWXQFWNYEYLN-UHFFFAOYSA-N 355.398 0.962 0 40 FCAB O=C(CN1CCN(c2ccccc2F)CC1)N[C@@H]1CCS(=O)(=O)C1 12594723 VBGNJHQHERYMTA-CYBMUJFWSA-N 355.435 0.251 0 40 FCAB CS(=O)(=O)N1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1 28739552 FEAGSEWAOGTIJN-UHFFFAOYSA-N 351.472 1.000 0 40 FCAB COc1cccc(C(=O)OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1O 32910994 YWZORLDAGHOXJF-OAHLLOKOSA-N 357.384 0.251 0 40 FCAB COCCn1cnc2c1c(=O)n(CC(=O)OC)c(=O)n2Cc1ccccc1 33765718 JLJFFDIGZPSBDB-UHFFFAOYSA-N 372.381 0.227 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 41165923 FPGGVMIWYYXHTO-CQSZACIVSA-N 368.455 0.788 0 40 FCAB COc1ccc(CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1OC 58161636 DJUUMAHVYAMYIE-ZDUSSCGKSA-N 371.459 0.927 0 40 FCAB CCCc1c(C(=O)NCCN2CCS(=O)(=O)CC2)[nH]c(C)c1C(C)=O 65503394 WZIWJZGEZKFZMR-UHFFFAOYSA-N 369.487 0.938 0 40 FCAB C[C@@H]1NC(C(=O)N2CCC(OCCO)CC2)=NN(c2ccccc2)C1=O 89919822 AZKAIROZBFAPTI-ZDUSSCGKSA-N 360.414 0.325 0 40 FCAB O=C(NCC1CC1)[C@H]1CCS(=O)(=O)[C@@H]2CN(c3ncccn3)C[C@H]12 96250988 GDWRLQKQNMIJEG-BFHYXJOUSA-N 350.444 0.242 0 40 FCAB Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CC2)S(=O)(=O)CCN3C)cc1 96251523 HXUCEPTVRTZKKP-JKSUJKDBSA-N 372.512 0.877 0 40 FCAB CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)C1 285347271 HDZTXNASQDWIOL-TXEJJXNPSA-N 356.400 0.299 0 40 FCAB CCn1cc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cnccn4)[C@H]3C2)cn1 306131031 JVDLSIZXVNOOEL-BFYDXBDKSA-N 356.430 0.570 0 40 FCAB O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(Cc4ccccn4)C3)N2C1 514289945 QOXVTTUALPBFJJ-WOJBJXKFSA-N 365.481 0.982 0 40 FCAB biogenic,in-vitro COc1cnc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)nc1 1565556193 PLFAJFNBVUNVEP-UHFFFAOYSA-N 373.413 0.905 0 40 FCAB CCNC(=O)N1C[C@@H]2CN(c3ncnc4c3ncn4CCOC)C[C@H]2C1 1888882057 KNQCYRNHKWFRIA-STQMWFEESA-N 359.434 0.570 0 40 FCAB O=C(COC(=O)C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 2624532 SOTUPYBLOHHRHX-UHFFFAOYSA-N 368.411 0.599 0 40 FCAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NC(=O)NC(C)C)cc1 3312078 VTJMUSPGFLVLMC-UHFFFAOYSA-N 370.427 0.936 0 40 FCAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCCNC(C)=O)ccc2c1=O 3906568 NFHIWGNWKJLVJV-UHFFFAOYSA-N 360.414 0.746 0 40 FCAB CCOc1ccc(C(=O)NCc2cc(=O)n(C)c(=O)n2C)cc1OCC 6662710 HVGGQKOEPBFFIG-UHFFFAOYSA-N 361.398 0.811 0 40 FCAB CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(F)c(F)c1 8495670 JLDZYOAWVBRFKG-UHFFFAOYSA-N 361.370 0.031 0 40 FCAB Cc1ccc(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2c(N)[nH]c(=O)[nH]c2=O)s1 9047571 XAYFYBXBWSVYDD-UHFFFAOYSA-N 372.366 0.207 0 40 FCAB CN(Cc1cccs1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 9153967 OGHHJJNTRUXFAB-UHFFFAOYSA-N 361.427 0.544 0 40 FCAB Cc1nc(N2CCC(NC(=O)c3cnn4cccnc34)CC2)[nH]c(=O)c1C 12146192 SYCPJKRTBFXJOL-UHFFFAOYSA-N 367.413 0.828 0 40 FCAB COC(=O)c1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 12901243 SWULATUORCYBJX-UHFFFAOYSA-N 355.354 0.945 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1 14254707 MPQZIWVUHBSFBX-CQSZACIVSA-N 371.459 0.987 0 40 FCAB CCOC(=O)C1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 30548974 IRDQHVVRJXOISQ-MRXNPFEDSA-N 372.425 0.908 0 40 FCAB CN(C)CCNC(=O)C[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 31812583 WDZDQVUOYYGEQA-LBPRGKRZSA-N 362.386 0.108 0 40 FCAB CC1(C)S[C@H]([C@H](NC(=O)[C@H](N)c2ccccc2)C(=O)O)N[C@H]1C(=O)O 34064298 KDAWOPKDXRJNHV-MPPDQPJWSA-N 367.427 0.150 0 40 FCAB in-vitro CS(=O)(=O)NCCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 40079854 QHBXAJKDMJOETK-UHFFFAOYSA-N 353.444 0.347 0 40 FCAB S=C(NCCN1CCN(c2ncccn2)CC1)NC[C@H]1CCCO1 44241804 BJJHRIYZBOWXRA-CQSZACIVSA-N 350.492 0.242 0 40 FCAB CC(C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1cnn(CC(N)=O)c1 72288947 NFBRLGZNCHFZEJ-UHFFFAOYSA-N 354.411 0.793 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2cn(C[C@@H](O)c3ccccc3)nn2)CC1 77197164 CXVJZBQRKJDTJA-MRXNPFEDSA-N 373.413 0.926 0 40 FCAB CC(C)C(=O)N1CCN(S(=O)(=O)C2CC2)C[C@@]2(CC(=O)N(C)C2)C1 96036083 RAGGWDURLPNTNW-MRXNPFEDSA-N 357.476 0.127 0 40 FCAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccc(C)nc3)CC2)O1 96243550 ADJBPFLTMHERFX-HNNXBMFYSA-N 369.425 0.863 0 40 FCAB CC(C)CCO[C@@H](C)C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 106151334 AKZVKNMTHYGQMJ-ZNMIVQPWSA-N 364.508 0.993 0 40 FCAB CC[C@H]1C(=O)NCCN1C(=O)C1CCN(c2ccc3nncn3n2)CC1 106686735 LPKNYACETKAGOV-ZDUSSCGKSA-N 357.418 0.078 0 40 FCAB CC(=O)N1CCC(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)CC1 225443756 TYINKFXMXCXLLM-OAHLLOKOSA-N 361.446 0.781 0 40 FCAB COC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc3c1OCCO3)C2 247834758 ITTCXLNGRPULIN-GFCCVEGCSA-N 367.423 0.734 0 40 FCAB O=C(CN1CCCC1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@H]2C1 257245143 IOFOVBRULLUHGH-IRXDYDNUSA-N 361.417 0.860 0 40 FCAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)S(=O)(=O)c1cn[nH]c1 257277619 NYTBGVMPIPQVPG-OAHLLOKOSA-N 351.432 0.457 0 40 FCAB CS(=O)(=O)NC[C@@H]1CC[C@@]2(COCCN(C(=O)CC3CCCC3)C2)O1 306140818 VEQMMWVHEPXQIT-DOTOQJQBSA-N 374.503 0.893 0 40 FCAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cc(C2CC2)[nH]n1 575617167 QAGQSDYIKAWDPK-CYBMUJFWSA-N 352.460 0.668 0 40 FCAB Cn1cnc(S(=O)(=O)NCc2nc(-c3cc(C4CC4)on3)no2)c1 575617865 XOBBBGFQMLPXJY-UHFFFAOYSA-N 350.360 0.814 0 40 FCAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccco2)n1CCOC 4161441 GGJRIGMQTMLMOY-UHFFFAOYSA-N 368.415 0.956 0 40 FCAB O=C1Nc2ccc(-c3ccccc3)cc2C(=O)N2CCN(C(=O)CO)C[C@H]12 4235975 CRZNLLVFIZDTJJ-QGZVFWFLSA-N 365.389 0.951 0 40 FCAB biogenic,in-vitro COCCNC(=O)NC(=O)CSc1nnnn1-c1ccc(C)cc1C 6510171 FCNABKLEKNYGKL-UHFFFAOYSA-N 364.431 0.843 0 40 FCAB O=C(CN1CCCc2ccccc21)NC(=O)N[C@H]1CCS(=O)(=O)C1 8394104 DXSWVPOCNSARIU-ZDUSSCGKSA-N 351.428 0.452 0 40 FCAB CCCCn1c(N)c(N(C)C(=O)[C@H]2Cc3ccccc3O2)c(=O)[nH]c1=O 8734444 YKCCLCLIGQUECH-CYBMUJFWSA-N 358.398 0.885 0 40 FCAB CCC(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1C(=O)NC(=O)NC1=O 9328000 WZRNLLPZGQJCTP-UHFFFAOYSA-N 369.381 0.926 0 40 FCAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N)nc(N)c32)cc1 10339078 CIURQOUQRIMXGP-SNVBAGLBSA-N 355.358 0.664 0 40 FCAB CC(C)C[C@@H](N)C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 12220130 LYVFJYVDRCCZPK-KSMMKXTCSA-N 358.442 0.959 0 40 FCAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1CC(N)=O 12778347 VDIZBCYUKBNCCU-ZETCQYMHSA-N 368.444 0.428 0 40 FCAB O=C(Cn1nc(-c2ccco2)oc1=O)N1CCN(c2ncccn2)CC1 12909221 OOFFDMUWUOQNQJ-UHFFFAOYSA-N 356.342 0.235 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)cc1 15497805 NBFBXAYQVSQKMO-ZDUSSCGKSA-N 356.400 0.138 0 40 FCAB COC[C@H](C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16685325 VDZSREIBCKNJFB-NHYWBVRUSA-N 358.398 0.782 0 40 FCAB Cc1nn(C)cc1-c1cc(C(=O)NCCS(=O)(=O)N2CCCC2)n[nH]1 19665322 CCVSMMPYNHNBGQ-UHFFFAOYSA-N 366.447 0.274 0 40 FCAB CCCCCCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 20235374 UCJFMSCAUCGGMN-UHFFFAOYSA-N 363.462 0.846 0 40 FCAB CN1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)OC3)CC1 31815838 OMPSZPIHGOKDIX-UHFFFAOYSA-N 366.487 0.884 0 40 FCAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1 32768562 DMBBRWDHDMCAHK-NSHDSACASA-N 360.457 0.747 0 40 FCAB Cc1cc(=O)c(C(=O)N[C@H](C)C(=O)N2CCOCC2)nn1-c1ccccc1 58277621 LEYFYAGFYKIKHW-CQSZACIVSA-N 370.409 0.518 0 40 FCAB CC(C)N1CCN(S(=O)(=O)c2cnccc2N2CCNCC2)CC1 72210673 USVMGHMFHLJBCJ-UHFFFAOYSA-N 353.492 0.206 0 40 FCAB CCC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1nnn[nH]1 75107566 RJZSVYMEFYMVSV-DGCLKSJQSA-N 356.390 0.277 0 40 FCAB CS(=O)(=O)c1ccc(O[C@H]2COCCN(C(=O)c3ccno3)C2)cc1 85435962 PFCSZJRFZVJOBQ-CYBMUJFWSA-N 366.395 0.998 0 40 FCAB biogenic,in-vitro CC[C@@H](C)[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(N)=O 89942176 KSRUENRNYILXKD-NOZJJQNGSA-N 362.473 0.806 0 40 FCAB CCCn1cnc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 89960727 XLUFVOHZNAAADW-CYBMUJFWSA-N 356.448 0.305 0 40 FCAB COc1cccc(OCC(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)O)C2)c1 95991825 LXYASJVNSSLVPK-CYBMUJFWSA-N 364.398 0.856 0 40 FCAB CCCS(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2cccnc2)C1 96253318 XYOZHUAKNFDPTA-QLFBSQMISA-N 353.444 0.527 0 40 FCAB CCOC(=O)C1CCN(S(=O)(=O)c2nnc(NC(C)=O)s2)CC1 225867212 FXFWWQSJENQMBB-UHFFFAOYSA-N 362.433 0.460 0 40 FCAB CC(=O)NCc1cncc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 257249956 JKJPFEHMDUWIGB-AWEZNQCLSA-N 350.404 0.362 0 40 FCAB Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1 257344232 ZWFDYUNDVBCSNB-HZPDHXFCSA-N 359.382 0.918 0 40 FCAB COCCN1C[C@@H](COC)C2(CCN(c3ccc4nncn4n3)CC2)C1 306132010 KVOQOPHUYOIEMT-HNNXBMFYSA-N 360.462 0.936 0 40 FCAB Cc1nc(CO[C@H]2CN(S(=O)(=O)N(C)C)Cc3ccnn3C2)cs1 306133193 MEPROPFPFPCHTG-AWEZNQCLSA-N 371.488 0.855 0 40 FCAB Cc1cccc(CS(=O)(=O)NCCOCCN2C(=O)CCC2=O)c1 585150365 SECRCWNTYCZBBS-UHFFFAOYSA-N 354.428 0.580 0 40 FCAB COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)NCCCn2cnc3ccccc32)C1 591898977 GTSFQMUEXQACPV-ZIAGYGMSSA-N 360.414 0.992 0 40 FCAB COCCN1C[C@@]2(COCCN(c3nc(OC)cc(OC)n3)C2)CC1=O 1565542934 KPECQKULZWKEMO-KRWDZBQOSA-N 366.418 0.196 0 40 FCAB CN(C)S(=O)(=O)N1CCn2c(COCc3cccnc3)nnc2C1 2055719471 MFJZMNMJHDIBMX-UHFFFAOYSA-N 352.420 0.012 0 40 FCAB C[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O 1575995 UIHDXSNRWRHJRT-BXUZGUMPSA-N 360.370 0.837 0 40 FCAB O=S1(=O)CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C1 7308398 LASFRUBWOYJWCF-SECBINFHSA-N 354.247 0.915 0 40 FCAB CC(=O)Nc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCCO)[C@@H]4C2=O)cc1 8880018 IAWVTGHGKLSNCG-MKSNKDDYSA-N 371.393 0.040 0 40 FCAB biogenic O=S1(=O)C[C@H](NCc2cccnc2)[C@@H](S(=O)(=O)c2cccs2)C1 13371133 ZKFVUPRRVHUMBY-STQMWFEESA-N 372.493 0.872 0 40 FCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ccccn2)CC1 14252562 JQXOHGXKBQYWKB-UHFFFAOYSA-N 357.414 0.595 0 40 FCAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCC(N)=O 19696591 UKYXMAANKKXUHO-LJQANCHMSA-N 370.409 0.867 0 40 FCAB CCc1noc(CCC(=O)N2CCC[C@@]2(C)C(=O)N2CCOCC2)n1 19746606 DDYWCAQCCZYVSR-KRWDZBQOSA-N 350.419 0.805 0 40 FCAB C[C@@]1(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CCS(=O)(=O)C1 22741153 KMVRRERGVBRNCE-OAHLLOKOSA-N 374.484 0.085 0 40 FCAB COC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 26455781 STIIONSGRJHKPR-INIZCTEOSA-N 361.398 0.808 0 40 FCAB O=C(Cn1ncc(=O)c2ccccc21)N1CCN(c2cnccn2)CC1 40039621 MQZBVSOTFGXGAQ-UHFFFAOYSA-N 350.382 0.535 0 40 FCAB COC(=O)C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)C(=O)OC 61997067 AOJOMAFSYCCTIH-NSHDSACASA-N 356.762 0.291 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 100085676 ICCXKLSOKHDUBT-UKRRQHHQSA-N 357.366 0.943 0 40 FCAB CCOC(=O)NCCCCCCN1C(=S)N[C@H]2CS(=O)(=O)C[C@@H]21 217362051 RLGNSEHPBYJSPM-RYUDHWBXSA-N 363.505 0.649 0 40 FCAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 222891876 GLKRINSIVIXKDT-NSHDSACASA-N 359.423 0.180 0 40 FCAB CCOc1ccsc1C(=O)N1CC2(C1)CN(C)[C@H](C(=O)NC)CO2 248083467 QXZGZZYUMVZTIH-NSHDSACASA-N 353.444 0.418 0 40 FCAB Cc1nn(C)cc1CCC(=O)N(C)C[C@@]1(O)CCN(c2ncccn2)C1 257257656 KQOVFSPGKHDRHG-SFHVURJKSA-N 358.446 0.551 0 40 FCAB CC(C)Cc1cc(C(=O)N2CC[C@](O)(CN3CCOCC3)C2)n(C)n1 257338440 YXKQXMXXPKYZTO-SFHVURJKSA-N 350.463 0.528 0 40 FCAB O=C1C[C@H](C(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)CN1 373624189 HXUSOZSKGQKIKZ-GWCFXTLKSA-N 371.315 0.721 0 40 FCAB CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)c1 519549454 AWORSAPRTVXNCP-UHFFFAOYSA-N 365.455 0.774 0 40 FCAB CCN1CCN(C(=O)NC[C@@H](c2ccsc2)n2cccn2)C(=O)C1=O 618255600 GCHWYFUBAZXZGT-ZDUSSCGKSA-N 361.427 0.934 0 40 FCAB Cn1ccc(C(=O)N2CCC(C(=O)NCC3CC3)(n3cccn3)CC2)n1 2055772935 AANPXKGPCIBOCL-UHFFFAOYSA-N 356.430 0.774 0 40 FCAB CCOC(=O)C(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OCC 1705180 ZVUDIYNVTSQAKS-UHFFFAOYSA-N 372.399 0.418 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3c(Cl)cnn3C)[C@H]2SC1 2752045 QCWDXOZIIAXUNK-JMCQJSRRSA-N 356.791 0.446 0 40 FCAB COCCNC(=S)NCc1cccc(CNC(=S)NCCOC)c1 6333380 AGERHUZHVOKXMT-UHFFFAOYSA-N 370.544 0.908 0 40 FCAB CSc1ncccc1C(=O)OCC(=O)NCCN1C(=O)CSC1=O 7657392 MJBZTNMRBJMMCZ-UHFFFAOYSA-N 369.424 0.772 0 40 FCAB C[C@@H](Sc1nc(Cl)nc2[nH]cnc12)C(=O)NCCN1CCOCC1 9420816 JQJAWDCSVMCMJR-SECBINFHSA-N 370.866 0.935 0 40 FCAB CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 13948622 JDKUVZPXDYMMER-UHFFFAOYSA-N 355.441 0.501 0 40 FCAB CNc1nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CCN(C)C2 19708495 CKBAKIPHXFTBOC-AWEZNQCLSA-N 368.507 0.840 0 40 FCAB O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)N1 46799762 XMFPJLIVOBCVKE-UHFFFAOYSA-N 361.782 0.842 0 40 FCAB O=C(CNC(=O)C1(c2ccc(F)cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 52997422 IDNIIIDFTHYBRE-CYBMUJFWSA-N 354.403 0.277 0 40 FCAB Cn1nccc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 72380570 RKAADZYXAUDURC-OAHLLOKOSA-N 372.429 0.983 0 40 FCAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cc(=O)n(C)c(=O)n3C)C2)nc1 80927379 IMCMHZATWPYISP-AWEZNQCLSA-N 371.441 0.638 0 40 FCAB Cn1c(C(=O)N2C[C@H]3CC[C@H](Oc4cccnc4)[C@H]3C2)cc(=O)n(C)c1=O 257203909 ASDTUDDNGRJLLP-INWMFGNUSA-N 370.409 0.409 0 40 FCAB Cc1cccc(N2CCC[C@@H](NC(=O)c3cc(=O)n(C)c(=O)n3C)C2)n1 257309942 UCYUMUFWVZLFCU-CYBMUJFWSA-N 357.414 0.186 0 40 FCAB CNC(=O)c1cc(C[C@@H]2CCCN(S(=O)(=O)N(C)C)CC2)ncn1 257316326 VFCMDUHXYGMZCL-GFCCVEGCSA-N 355.464 0.287 0 40 FCAB CCS(=O)(=O)NCC[C@H]1CCOC12CN(c1ccc3nncn3n1)C2 306126862 FHFKZFWFEIEEDH-LBPRGKRZSA-N 366.447 0.049 0 40 FCAB COc1ncccc1CN1Cc2cncn2[C@@H](CNS(C)(=O)=O)C1 306131121 JXEGUFGNAKFMLL-AWEZNQCLSA-N 351.432 0.393 0 40 FCAB CS(=O)(=O)N1CC[C@H](NC(=O)c2c[nH]nc2-c2ccccc2F)C1 575067113 YDLVIZJXRZRGPV-JTQLQIEISA-N 352.391 0.980 0 40 FCAB O=C(CCc1cncnc1)N1CC[C@H]2C[C@@H](C(=O)N3CCOCC3)O[C@H]2C1 585108616 MHWMGNBTLPQXMI-ULQDDVLXSA-N 374.441 0.274 0 40 FCAB CO[C@@]1(CC(=O)N(C)CCn2ccnc2C)COCCN(C(C)=O)C1 585280960 QTVPFYPNPBTPRH-QGZVFWFLSA-N 352.435 0.304 0 40 FCAB CCN([C@@H]1COC[C@@H](O)[C@H]1O)S(=O)(=O)c1cccc2ccccc12 585290247 AFRRGBWOKAWNQL-INMHGKMJSA-N 351.424 0.971 0 40 FCAB Cn1cc(N2C[C@@H](C(=O)Nc3ccc(O[C@H]4CC(=O)N4)cc3)CC2=O)cn1 627658376 ZQBYTDDMTGCAAL-ZBEGNZNMSA-N 369.381 0.637 0 40 FCAB O=S(=O)(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccc2c(c1)OCO2 643771431 RTZGLVOKWJMFPE-YUTCNCBUSA-N 354.428 0.681 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3ccc(C)nc3C(C)C)C2)C1 685942935 UQJAXUCWBCHWKA-CYBMUJFWSA-N 358.442 0.932 0 40 FCAB COCC(=O)N1CCN2C(=O)OC3(CN(c4ccc(F)cn4)C3)[C@@H]2C1 1549161893 PPNRJKBGRLRFKP-LBPRGKRZSA-N 350.350 0.089 0 40 FCAB CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4N3)CC2)nc1 1553425814 UMYSGUZVWQUTJH-ULQDDVLXSA-N 359.474 0.311 0 40 FCAB COc1cnc(C(=O)N2CC[C@H]3OCCN(CCN(C)C)[C@@H]3CC2)nc1 1565548934 IYJBIAGEHPBTDK-HZPDHXFCSA-N 363.462 0.352 0 40 FCAB COc1cc(C(=O)N2CCOC[C@@]3(C[C@H](Cn4cnnc4)CO3)C2)on1 1565548944 MWZMBVZLYVXSCE-MLGOLLRUSA-N 363.374 0.223 0 40 FCAB COCCN1C[C@]2(COCCN(c3nc(OC)cc(OC)n3)C2)CC1=O 1614940281 KPECQKULZWKEMO-QGZVFWFLSA-N 366.418 0.196 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3OCC[C@@H](C(=O)Nc4cccnc4)[C@@H]3C2)n1 2055719429 ABYMESCPIOBHMO-QLFBSQMISA-N 370.413 0.716 0 40 FCAB O=C(Cn1cnnn1)N1CCC[C@]2(CCCN(Cc3cccnc3)C2)C1 2056223248 WZWIYJRFXLIUQD-SFHVURJKSA-N 355.446 0.973 0 40 FCAB CCOc1ccccc1NS(=O)(=O)c1c(C)n(C)c(=O)n(C)c1=O 4270180 BNRBTVALRWVQKR-UHFFFAOYSA-N 353.400 0.592 0 40 FCAB N[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12)c1ccccc1 4536411 QYIYFLOTGYLRGG-BHDSKKPTSA-N 367.814 0.621 0 40 FCAB biogenic NC(=O)C1CCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 4676165 CDJPNRGRUOUQMU-UHFFFAOYSA-N 372.469 0.839 0 40 FCAB O=C(COC(=O)Cc1c(F)cccc1Cl)N[C@H]1CCS(=O)(=O)C1 5508360 MNARCKGPUJKFSR-VIFPVBQESA-N 363.794 0.868 0 40 FCAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCCN1C(=O)CSC1=O 6053851 YDBYSSXRZMFIHH-UHFFFAOYSA-N 364.362 0.291 0 40 FCAB COC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 9737655 ZMEKFMNJAFNMSW-UHFFFAOYSA-N 373.369 0.048 0 40 FCAB COCC(=O)NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21 12071674 MPKVYBJZXCIHQX-UHFFFAOYSA-N 359.361 0.543 0 40 FCAB COCCn1c(=O)c2c(nc3n2CCN3c2ccccc2OC)n(C)c1=O 13540535 BOXQMLPZATYPLV-UHFFFAOYSA-N 371.397 0.703 0 40 FCAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCNC(=O)C2)ccc1C 15384873 CQWAUEHESBUJNN-UHFFFAOYSA-N 353.444 0.598 0 40 FCAB NS(=O)(=O)c1nnc(NC(=S)NC(=O)Nc2ccccc2)s1 16489475 MYVPKRMISAPQSU-UHFFFAOYSA-N 358.430 0.704 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(O)cc2)CC1 20719856 CEEHFNSJXXLUCQ-UHFFFAOYSA-N 355.416 0.215 0 40 FCAB Cn1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cn1 24585047 DNIFLSZQMJUXIT-UHFFFAOYSA-N 365.415 0.156 0 40 FCAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)Cn2cccn2)c1=O 24807164 ACSJTVOTTYKMPV-ZDUSSCGKSA-N 355.398 0.585 0 40 FCAB Cc1ccc(NC(=O)c2cccc(OCC(N)=O)c2)cc1S(N)(=O)=O 28437494 GZGFYIPCIMPNOW-UHFFFAOYSA-N 363.395 0.759 0 40 FCAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1C 58191179 MGYTWLKUYBSBQP-GFCCVEGCSA-N 353.444 0.925 0 40 FCAB O=C(Nc1cccnc1-n1cncn1)N1CCN(c2ncccn2)CC1 108924235 UQJAXULZAHNHFL-UHFFFAOYSA-N 351.374 0.806 0 40 FCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@@H]2CCn3nccc3C2)cc1 244947574 DMWDCSBTHZDVMF-GFCCVEGCSA-N 374.422 0.830 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)COc2ccccc2)Cc2ccnn21 247530502 OQDZSKVJLZOYGX-CQSZACIVSA-N 364.427 0.395 0 40 FCAB Cn1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cn1 265891985 ZFBDDQRWFALPLI-UHFFFAOYSA-N 350.400 0.249 0 40 FCAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCO 408600646 BQEXUPZMWFBUAL-UHFFFAOYSA-N 356.444 0.739 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@H](CCNC(=O)c2cccnc2)C1 585112344 NILISIVQDDYXMX-CQSZACIVSA-N 363.443 0.805 0 40 FCAB OC[C@@H](O)[C@H]1OCCCCCCN(Cc2ccccc2F)C[C@H](O)[C@H]1O 643913128 GSGXJICCQKVRDQ-WJFTUGDTSA-N 371.449 0.662 0 40 FCAB Cn1cc(N2C[C@@]3(CCN(C(=O)Cn4ccccc4=O)C3)CC2=O)cn1 1141898081 MHANLBNIABEQAV-SFHVURJKSA-N 355.398 0.237 0 40 FCAB CS(=O)(=O)N[C@H]1CCOC2(CCN(C(=O)c3csnn3)CC2)C1 1565544356 FOVYVACVJHRIQN-JTQLQIEISA-N 360.461 0.241 0 40 FCAB CS(=O)(=O)N1CCOCC2(CCN(C(=O)CC3(O)CCC3)CC2)C1 1565555111 SEOQKGHKOVYRJX-UHFFFAOYSA-N 360.476 0.192 0 40 FCAB CN([C@@H]1CCCN(c2nc3ccccc3c(=O)n2C)C1)S(C)(=O)=O 1888866918 YJJCQHVGRFIFOK-GFCCVEGCSA-N 350.444 0.794 0 40 FCAB CCOc1ccc(-n2nnnc2SCC(=O)NCC(=O)OC)cc1 4168779 RYFKITFGUQNLLW-UHFFFAOYSA-N 351.388 0.442 0 40 FCAB COC(=O)CCNCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 6085685 UBFUOYIVBJXTQF-UHFFFAOYSA-N 373.431 0.037 0 40 FCAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)C2=NNC(=O)CC2)c1 7007190 JYQYBSSCHOYMHG-UHFFFAOYSA-N 352.416 0.922 0 40 FCAB CC/C(NN1CCN(C)CC1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 9286851 LKUOUGRNAORYSH-CCEZHUSRSA-N 363.462 0.814 0 40 FCAB COc1ccnc2c1c(=O)n(CC(=O)Nc1cccc(F)c1)c(=O)n2C 9571593 DSXZEBVHDGDQIL-UHFFFAOYSA-N 358.329 0.882 0 40 FCAB Cn1c(=O)c2c(ncn2CCC(=O)NCc2ccc(F)cc2)n(C)c1=O 12603200 KPQDFWIIKJEGGB-UHFFFAOYSA-N 359.361 0.279 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1c(C)cc(C)cc1C 12622791 FWOACJNYHZJTQQ-ZDUSSCGKSA-N 354.428 0.664 0 40 FCAB COc1cccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)c1 14141085 UAWXDTVFVZOSQY-UHFFFAOYSA-N 355.398 0.564 0 40 FCAB C[C@H]1CN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 14914295 JMSJMFSDAUITHP-HZSPNIEDSA-N 369.487 0.490 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1 15365851 WWKNMQPPRQSEKF-CQSZACIVSA-N 374.484 0.142 0 40 FCAB C[C@H](OC(=O)CN1CSCC1=O)C(=O)Nc1ccc2c(c1)OCCO2 22504564 FBAOTIDHPSKGGS-JTQLQIEISA-N 366.395 0.861 0 40 FCAB CN1CCN(Cc2c(C(=O)c3ccc(F)cc3)c(=O)n(C)c(=O)n2C)CC1 31809337 PPEPCVKHXXMIHK-UHFFFAOYSA-N 374.416 0.202 0 40 FCAB O=[N+]1C(CN2CCOCC2)=C(CN2CCOCC2)N(O)[C@H]2CCCC[C@@H]21 32223561 GHBJUKUERZIRHU-HOTGVXAUSA-N 367.470 0.657 0 40 FCAB Cn1cc(C(=O)NC2CCN(C(=O)c3cnn4cccnc34)CC2)cn1 49016076 MESRXNFVTXZYBY-UHFFFAOYSA-N 353.386 0.497 0 40 FCAB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)NCC(F)(F)F 56103896 COQSKQDPLMJAGG-UHFFFAOYSA-N 354.306 0.415 0 40 FCAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NC(=O)NC(C)(C)C 57842645 BHUZMULSLRABMC-NSHDSACASA-N 370.475 0.951 0 40 FCAB CC(=O)N1CCC(NC(=O)CN2CCN(Cc3cscn3)CC2)CC1 58216043 KMSLIGTZDLTXKN-UHFFFAOYSA-N 365.503 0.388 0 40 FCAB O=C(CN1CSCC1=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 69329309 UOJMLZLTTZWVHE-HNNXBMFYSA-N 367.446 0.848 0 40 FCAB CN1CCc2nc([C@H]3CCCN(C(=O)[C@@H]4CC(=O)N(C)C4)C3)ncc2C1 72397267 SNPQJXQRTZZUMY-UONOGXRCSA-N 357.458 0.649 0 40 FCAB Cn1c(=O)c2[nH]c(SCC(=O)Nc3ccccc3F)nc2n(C)c1=O 100970418 SCPFXICWSIPMRT-UHFFFAOYSA-N 363.374 0.830 0 40 FCAB CC(=O)N1CC[C@@H](c2ncc(CNC(=O)c3cnn4cccnc34)[nH]2)C1 257254944 KFKGUHYKDMRFJX-GFCCVEGCSA-N 353.386 0.718 0 40 FCAB Cc1nc[nH]c1CN1CCOC[C@@](O)(CNC(=O)c2cscn2)C1 257304827 SNHOJEPGBYFHOM-OAHLLOKOSA-N 351.432 0.168 0 40 FCAB CCS(=O)(=O)NC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1 306127883 GJVIKGOUDCZKTA-HNNXBMFYSA-N 356.492 0.681 0 40 FCAB CSCC(=O)N1CC2(C1)[C@@H](COc1nccc(C)n1)CCS2(=O)=O 306130702 JNDJPMJNUNXERR-GFCCVEGCSA-N 371.484 0.543 0 40 FCAB CN(C)C(=O)COc1cc(C(=O)O)ccc1NS(=O)(=O)N1CCCC1 530147381 VPOGJAUIAYPZPO-UHFFFAOYSA-N 371.415 0.604 0 40 FCAB Cc1ccc(CN(N[C@@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1 575420732 JUHSYIZVNYWCEP-HZPDHXFCSA-N 372.512 0.676 0 40 FCAB CCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1cc(C)c(C)cc1C 575424010 QYYUFKHSKGNOGU-KBPBESRZSA-N 361.485 0.780 0 40 FCAB C[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1 583614786 YEWXUGMRMUOFOF-QLFBSQMISA-N 363.462 0.816 0 40 FCAB CC1CC(C(=O)N2CCO[C@@]3(COCCN(CC(=O)N(C)C)C3)C2)C1 1565549934 JWPNGVDEFFAQKZ-JTTJXQCZSA-N 353.463 0.051 0 40 FCAB O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1CCCO1 4251486 UHDCABPMAIEBJU-LBPRGKRZSA-N 359.382 0.694 0 40 FCAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)N1CCCC1 5039143 RWOZPRJYXZTNKN-SNVBAGLBSA-N 356.400 0.510 0 40 FCAB CC(=O)Nc1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 8011953 OKFSEQFCTUPLMY-UHFFFAOYSA-N 355.354 0.275 0 40 FCAB O=C(CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21)N1CCOCC1 9305142 UQVHYDPOKMVVFX-INIZCTEOSA-N 357.410 0.887 0 40 FCAB COC(=O)c1ccc(C)c(NCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 10169983 PNDQEXWFNPZNDU-ZDUSSCGKSA-N 354.428 0.839 0 40 FCAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2nnc3ccccn23)c1 12817007 GTPQEDUYEJAMPJ-UHFFFAOYSA-N 373.438 0.918 0 40 FCAB O=S1(=O)C[C@H](NCc2cccnc2)[C@@H](S(=O)(=O)c2ccccc2)C1 19796895 YFYRNZZHGSRUJP-HOTGVXAUSA-N 366.464 0.811 0 40 FCAB Cc1ccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c(C)c1 20568026 KIXLPWQHPOCYCP-UHFFFAOYSA-N 369.487 0.518 0 40 FCAB Cc1cc2ncn(CC(=O)N3CCN(S(C)(=O)=O)CC3)c2cc1C 24368840 SSJJSSXRQUEJRM-UHFFFAOYSA-N 350.444 0.757 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1 27672799 NYHVOMSMGFAFML-UHFFFAOYSA-N 361.379 0.698 0 40 FCAB NC(=O)[C@H](c1ccccc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 32777744 YSTDPMKCALVWHC-HNNXBMFYSA-N 352.460 0.171 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 48087096 MBEKHXDNRMTJBH-UHFFFAOYSA-N 353.448 0.791 0 40 FCAB Cc1ccn(CCNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1 49549784 VGIRLWVLQQNINT-UHFFFAOYSA-N 356.386 0.137 0 40 FCAB COc1cccc(S(=O)(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)c1 75163197 TUNZKXDLJICWGO-UHFFFAOYSA-N 361.383 0.775 0 40 FCAB CCOC(=O)CNC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 75163736 IODKUMNBCSQHDH-UHFFFAOYSA-N 359.264 0.854 0 40 FCAB CN(C)CC(C)(C)CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 79094608 CSMCXKOFOWDDJT-CQSZACIVSA-N 351.451 0.705 0 40 FCAB Cc1noc(CN2CCN(c3cc(N4CCC[C@@H]4CO)ncn3)CC2)n1 89721153 MXXGWTOUVSISCW-CQSZACIVSA-N 359.434 0.451 0 40 FCAB CN(C)CC(=O)N1CCOC[C@]2(C1)CN(c1ccsc1)C(=O)CO2 96078345 RMJADMICGFVKMJ-INIZCTEOSA-N 353.444 0.271 0 40 FCAB CN(C)c1nc(-c2cnn(C)c2)nc2c1CN(C(=O)c1ccnnc1)CC2 96254070 QXFKDOOPMOGAIP-UHFFFAOYSA-N 364.413 0.932 0 40 FCAB O=C(N[C@@H]1CCc2ncnn2C1)[C@H](c1cccc(F)c1)N1CCOCC1 173693968 YDWGGECQRIHEQP-WBVHZDCISA-N 359.405 0.922 0 40 FCAB CN1CC2(CN(Cc3nccs3)C2)OC[C@H]1C(=O)N1CCCCO1 248098614 ZDADPBZEQQAVQK-ZDUSSCGKSA-N 352.460 0.582 0 40 FCAB CC(=O)N1CCN([C@@H]2CCCC[C@@H](NC(=O)c3cnco3)[C@H]2O)CC1 257252938 JWTXMALWPPSQOQ-IIAWOOMASA-N 350.419 0.241 0 40 FCAB CC(C)NC(=O)c1cn2c(nc1=O)[C@@H]1CN(C(=O)Cc3ccco3)C[C@@H]1C2 306135776 PAIDIGFJRBEPPF-TZMCWYRMSA-N 370.409 0.773 0 40 FCAB CN1CCC[C@H](NC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)C1=O 527972138 NIFVVUYYOXJEAW-YPMHNXCESA-N 351.428 0.478 0 40 FCAB C[C@@H]1CCCN(Cc2cc(=O)n3[nH]c(=N)[nH]c3n2)[C@H]1C(=O)OC(C)(C)C 598623648 ZSBYSUXQJQUICP-ZWNOBZJWSA-N 362.434 0.772 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC2(CC1)C(=O)N[C@H]2c1ccccc1 2055795811 BMLXIUVKUUDBNY-HNNXBMFYSA-N 350.440 0.901 0 40 FCAB CC(=O)N[C@@H]1[C@@H](OCCc2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 4025525 XTDWBJYOEJCBLM-WKULXVSPSA-N 365.426 0.988 0 40 FCAB COCCCn1c(C)cn2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 5144570 ZKTNUBNNMMTIOU-LLVKDONJSA-N 361.402 0.644 0 40 FCAB N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12)c1ccccc1 7996893 QYIYFLOTGYLRGG-RBZYPMLTSA-N 367.814 0.621 0 40 FCAB biogenic,in-vitro CC(C)(C(=O)N1CCN(CC(=O)N2CCNC2=O)CC1)c1ccccc1 12848900 GBOSHUWKDHVJAG-UHFFFAOYSA-N 358.442 0.660 0 40 FCAB CCOC(=O)Cc1cnc(NC(=O)CSc2nc(N)cc(N)n2)s1 13572852 PQDIRPOQPUNFOI-UHFFFAOYSA-N 368.444 0.934 0 40 FCAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)cc1 16740044 VVWHYCBEYAXGEW-UHFFFAOYSA-N 371.353 0.239 0 40 FCAB CN(C)C(=O)[C@H](c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 21583947 HSOJPCMINOXIPS-IBGZPJMESA-N 374.485 0.292 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 38568632 ZHRWIIQMAFFXAN-AWEZNQCLSA-N 360.476 0.850 0 40 FCAB COc1ccc(CNC(=O)c2nc(CC(=O)N3CCOCC3)no2)cc1 40285711 JKIJUPXKFCCOJP-UHFFFAOYSA-N 360.370 0.410 0 40 FCAB Cn1ccnc1[C@@](O)(CCNC(=O)CCNc1ncccn1)C(F)(F)F 58227029 QGZBTRAFXLYUHO-AWEZNQCLSA-N 372.351 0.969 0 40 FCAB CC(=O)N1CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)C1 84718295 MCFXSUFNGDLPQD-CYBMUJFWSA-N 373.862 0.745 0 40 FCAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCN2CCCC2)s1 225521083 LBQWURALTDDACK-UHFFFAOYSA-N 361.493 0.897 0 40 FCAB Cc1nc(C(=O)N2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)cs1 248022099 JHFNLTDHMUDAAO-LLVKDONJSA-N 359.473 0.622 0 40 FCAB COc1cccc(S(=O)(=O)N2CC[C@@](O)(CN3CCOCC3)C2)c1 257289848 QAKVULWYSBXDSG-MRXNPFEDSA-N 356.444 0.153 0 40 FCAB C[C@H]1Cc2cc(S(=O)(=O)NCCN3C[C@H](C(=O)O)CC3=O)ccc2O1 274953775 IFPOOZLFPXWSNO-CMPLNLGQSA-N 368.411 0.221 0 40 FCAB CCS[C@@H]1CCC[C@@H]1NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 530891640 PFRBIISFEJIPSF-RWBGOSSDSA-N 352.456 0.939 0 40 FCAB O=C(NCc1ccco1)[C@@H]1C[C@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]2O1 1565543536 URXJWZMKYMCMPU-MXYATOMLSA-N 360.410 0.794 0 40 FCAB CCOCCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1 1615608243 SRADLTHRGOTLIU-UWVGGRQHSA-N 361.386 0.487 0 40 FCAB O=C(CN1CCOCC1)N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055739206 OOSJIRXPHPXKEL-CYBMUJFWSA-N 362.430 0.216 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]12 811052 FOBTVDUCPRNSBE-ZFWWWQNUSA-N 357.366 0.943 0 40 FCAB CC(=O)CC(=O)Nc1ccc(NC(=O)CC(C)=O)c(S(=O)(=O)O)c1 2540027 DIOSHTLNZVXJOF-UHFFFAOYSA-N 356.356 0.769 0 40 FCAB Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1C1CC1 3441738 POBACBMDHQVTKM-UHFFFAOYSA-N 368.444 0.248 0 40 FCAB NC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c2ccccc2O1 6851020 MBBSTRKXVSBXHY-LRDDRELGSA-N 369.377 0.908 0 40 FCAB COc1ccc([C@@H](CC(=O)O)NC(=O)CSc2nc(N)n[nH]2)cc1 8208693 XMGACUPBWMKXJG-SNVBAGLBSA-N 351.388 0.820 0 40 FCAB O=C(C1=COCCO1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9916107 CUNKOLQUTBVQRN-UHFFFAOYSA-N 374.365 0.686 0 40 FCAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 12794634 LXGZDGNGSDKXOK-UHFFFAOYSA-N 356.381 0.833 0 40 FCAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ncnc3c2nnn3C)CC1 13532629 BULJHYRRDKJORF-CYBMUJFWSA-N 367.413 0.874 0 40 FCAB CC1(C)C(=O)NCCN1C(=O)CN1C(=O)[C@H]2CCCN2c2ncccc21 19460364 QAWWHQUSNBKZKH-CYBMUJFWSA-N 357.414 0.134 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 20491923 QIJBJMAPYRNOJL-LBPRGKRZSA-N 354.432 0.242 0 40 FCAB NC(=O)c1nn(CC(=O)NCCc2ccccc2)c(=O)c2ccccc12 24839261 MBJVPTVKJUDEKB-UHFFFAOYSA-N 350.378 0.854 0 40 FCAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 40105897 DGSWTFYMCZGCPR-NSHDSACASA-N 374.484 0.519 0 40 FCAB Cn1c(CN2CCN(CC(=O)NC[C@H]3CCCO3)CC2)nc2ccccc21 44213685 UWVQVYZLJYJSIK-MRXNPFEDSA-N 371.485 0.986 0 40 FCAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)CCO1 51164100 YUSICSBOETZXMQ-VIFPVBQESA-N 354.306 0.460 0 40 FCAB O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@@]1(O)C(F)(F)F 79489765 DSSGGANVOGBGNV-LBPRGKRZSA-N 361.663 0.881 0 40 FCAB c1cnc(N2CC[C@]3(COCc4cnc(N5CCOCC5)nc43)C2)nc1 96244152 NDAVSQOEOBLYLX-GOSISDBHSA-N 354.414 0.782 0 40 FCAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2cn(C)nc2C)c2ccccc21 98170481 MEPIFANIFQWDEY-HNNXBMFYSA-N 355.398 0.569 0 40 FCAB COC(=O)[C@]1(CCSC)N[C@@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@H]21 100420446 WDARWSXAQTXDTN-CENBSLRLSA-N 352.412 0.820 0 40 FCAB CN(c1ccc(CC(=O)NCCSc2ncn[nH]2)cc1)S(C)(=O)=O 225975149 BHAXGVNLVPNJOR-UHFFFAOYSA-N 369.472 0.652 0 40 FCAB O=C(CN1C(=O)CCC1=O)NC[C@H](c1ccco1)N1CCSCC1 244975241 IHPNVUBYQJWBST-GFCCVEGCSA-N 351.428 0.635 0 40 FCAB CS(=O)(=O)c1snnc1C1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)CC1 247504930 GQHZHLGXYDVXOZ-IJLUTSLNSA-N 369.468 0.991 0 40 FCAB Cc1cc(C(=O)N2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)cc(C)n1 247510491 IFPNOPRYMUTGLO-AWEZNQCLSA-N 367.471 0.869 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1cscn1)CC2 247816194 BILUUDWUCOTWGX-GFCCVEGCSA-N 373.500 0.903 0 40 FCAB CN1CC2(CN(Cc3cccnc3)C2)OC[C@H]1C(=O)NC1CC(F)(F)C1 306131018 JUVRAYZXTZGMHB-HNNXBMFYSA-N 366.412 0.881 0 40 FCAB O=C(NS(=O)(=O)C[C@H]1CCCOC1)C1CN(C(=O)C2CCCCC2)C1 408499288 UYIDGAYVZJQFLI-ZDUSSCGKSA-N 372.487 0.898 0 40 FCAB CC1(C)CN(C(=O)NCCN2CCc3ccccc3C2=O)CCN1CCO 585083053 AFJJJIMYFCMXFV-UHFFFAOYSA-N 374.485 0.783 0 40 FCAB Cn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)C4(F)CCC4)C[C@@H]3C2)cn1 585108022 WCQOUKFILVULJO-UONOGXRCSA-N 350.394 0.612 0 40 FCAB COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)CC1(OC)CCC1)CC2 1565553074 JGMHEZXHTOMEFL-CYBMUJFWSA-N 364.446 0.822 0 40 FCAB Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)o1 2055814222 SKKJABRDRMVOFV-SFHVURJKSA-N 357.414 0.885 0 40 FCAB COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(C)n1 3639593 VNNMWVBAQLVHKM-UHFFFAOYSA-N 365.371 0.785 0 40 FCAB CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)N3CCCCC3)c2c1 5457186 ZCYUCLAXUWTPMZ-UHFFFAOYSA-N 367.431 0.123 0 40 FCAB CC(C)CN(C(=O)[C@H]1CCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 7814079 IAKBZNLIKLDINW-GFCCVEGCSA-N 352.435 0.943 0 40 FCAB COCCOCCCNC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 12602161 ZSOONUXXYODICD-GFCCVEGCSA-N 369.443 0.283 0 40 FCAB C[C@H]1C[C@H]1C(=O)NCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12925872 ZEZJDJRNUDDCIZ-WMLDXEAASA-N 372.469 0.978 0 40 FCAB CC(=O)NCCC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 14094336 FKMFSWIZUOZGNS-UHFFFAOYSA-N 367.427 0.734 0 40 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CCNC(=O)NC(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O 6650668 WQRYKVXJSLJQON-MRXNPFEDSA-N 350.350 0.829 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCO)C2)cc1 6736602 WOMTZADLWAHMDR-ZDUSSCGKSA-N 356.444 0.595 0 40 FCAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N[C@H]1CCS(=O)(=O)C1 9302680 GIHGRCYLSLKRRB-ISAHRAOESA-N 370.408 0.619 0 40 FCAB COC(CNC(=O)c1cn(C)c2c(=O)n(-c3ccccc3)c(=O)[nH]c12)OC 9659529 FPUFMIVHUQCLCE-UHFFFAOYSA-N 372.381 0.366 0 40 FCAB COc1cn(CC(=O)N2CCN(c3ccccc3)CC2)c(CO)cc1=O 12230756 ONBCSXODOUFYPJ-UHFFFAOYSA-N 357.410 0.698 0 40 FCAB O=C(NCCNS(=O)(=O)c1cccc2nsnc12)c1ccccn1 12321976 AZIRDAWOOSQMGJ-UHFFFAOYSA-N 363.424 0.795 0 40 FCAB O=C(Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1)NCc1cccnc1 12422867 DRDMHCOJXDKBPG-GFCCVEGCSA-N 359.411 0.614 0 40 FCAB CCS(=O)(=O)N1CCC(NC(=O)CNC(=O)c2ccccc2)CC1 13017248 WTIICGPKLWHFJJ-UHFFFAOYSA-N 353.444 0.347 0 40 FCAB Cc1ncc(C(=O)N2CCOCC2)c(CCNC(=O)CN2CCCC2)n1 19695621 KOPJVKNBLPWJQE-UHFFFAOYSA-N 361.446 0.012 0 40 FCAB Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@@H](O)c2ccccc2)n(C)c1=O 23115239 YSLPFKYDRHVIMA-CQSZACIVSA-N 369.425 0.768 0 40 FCAB Cn1nc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)ccc1=O 25083067 IBGBMLGDWMOYQW-UHFFFAOYSA-N 371.397 0.303 0 40 FCAB CCOC(=O)N1CCN(C(=O)CNS(=O)(=O)Cc2ccccc2)CC1 25133255 DXIULWXNHRYKQI-UHFFFAOYSA-N 369.443 0.407 0 40 FCAB CCn1c(=O)[nH]c2cc(C(=O)N3CCC(n4cncn4)CC3)ccc2c1=O 62581570 MDSBGMVMIULGOF-UHFFFAOYSA-N 368.397 0.779 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCCn1cccn1 72305573 ZFHCTLQACGJVSL-NSHDSACASA-N 355.420 0.144 0 40 FCAB CN(C)CCOC[C@@H]1CN(C(=O)C2CCOCC2)Cc2nnn(C)c21 96060693 PWHUAKTXCULFLJ-AWEZNQCLSA-N 351.451 0.246 0 40 FCAB CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CCN3CC3CCOCC3)O2)CC1 96083179 NMEAZSCRZZPGBX-KURKYZTESA-N 351.491 0.809 0 40 FCAB Cc1ncoc1C(=O)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 96215116 UMZDRXBZRZAEGG-CYBMUJFWSA-N 359.386 0.823 0 40 FCAB Cc1cc(N2CCN(C(=O)[C@@H](N)c3ccccc3)CC2)n2ncnc2n1 97019880 YVOGICBQSJTIGM-INIZCTEOSA-N 351.414 0.781 0 40 FCAB 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C[C@H](C(=O)N1CCN(c2ncccn2)CC1)n1nc2c(cc1=O)CCC2 575606100 DHZQELLNQQKOSR-CYBMUJFWSA-N 354.414 0.432 0 40 FCAB Cc1nnc2ccc(N[C@@H]3CC(=O)N(C4CC4)[C@H]3c3ccnn3C)nn12 583617811 UGRTWQAIYFPLBE-SJKOYZFVSA-N 352.402 1.083 0 40 FCAB Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)Cc2cnnn2C)s1 668021809 QWYCRONCGLLEJP-SNVBAGLBSA-N 352.445 0.663 0 40 FCAB CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)Cc3cccc(C4CC4)c3)C2)C1 685942927 UJVQOBLATAFMSC-MRXNPFEDSA-N 355.438 0.912 0 40 FCAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NC(=O)C2CCOCC2)nn1 1549162932 YIZYMOKRNVPQQT-GZBFAFLISA-N 352.435 0.247 0 40 FCAB CC(C)CN1CC2(CCN(C(=O)C3CC(O)C3)CC2)[C@]2(CCNC2=O)C1 1565546529 FWVJOGRTGZPONJ-ALLBUHFWSA-N 363.502 0.844 0 40 FCAB Cc1ncnc(C(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)c1C 1565556565 NPPWBHUPESWNKP-UHFFFAOYSA-N 352.402 0.976 0 40 FCAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1ccc(Cn2cccn2)cc1 1615148401 LFFMEFUEEMIQCW-KURKYZTESA-N 359.426 0.762 0 40 FCAB COCCN1C(=O)C[C@H](C(=O)NCc2cnccc2C)[C@H]1c1nccn1C 1615547659 LHKRDXYMVVSWOB-RDJZCZTQSA-N 371.441 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C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccncc1 36585553 FCRXTJDWROPYRG-GFCCVEGCSA-N 365.393 0.682 0 40 FCAB CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 44227569 FUZIHGBSKWXZRD-UHFFFAOYSA-N 372.468 0.688 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccc(OCC2CC2)nc1 58190930 RRKKKFYGVFNOHH-UHFFFAOYSA-N 358.398 0.804 0 40 FCAB COc1ccccc1OC[C@@H](O)CN1CCN(CC(=O)N(C)C)CC1 71279725 SJXBPGJCQQYERA-HNNXBMFYSA-N 351.447 0.141 0 40 FCAB CN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@@H]1CCCN(Cc2ccccc2)C1 74446134 VPFGQDBYEPOSEL-QGZVFWFLSA-N 370.453 0.670 0 40 FCAB CCCC[C@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 75105802 QBMKRYHTVALQAE-GFCCVEGCSA-N 353.423 0.231 0 40 FCAB O=S1(=O)CC[C@H](N2CCN(C[C@H](O)COc3ccccc3)CC2)C1 84556794 LZSCSVANTANSIZ-HOTGVXAUSA-N 354.472 0.231 0 40 FCAB CCN(CC)C(=O)CSc1nnc2ccc(S(=O)(=O)N(C)C)cn12 95944724 VTRCEFPOZJALAD-UHFFFAOYSA-N 371.488 0.940 0 40 FCAB CN(C)CC(=O)N1Cc2ncn(C)c2[C@H](COCC2CCOCC2)C1 96045006 CSJABTGNLGZPJV-HNNXBMFYSA-N 350.463 0.851 0 40 FCAB 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Oc1cc(N2CCN(c3ncc(Br)cn3)CC2)nc(O)n1 1565520704 HWCKRRKOWGVLCI-UHFFFAOYSA-N 353.180 0.767 0 40 FCAB O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@H]2O1 1565549208 NWPGOGPDGHAEDL-YESZJQIVSA-N 358.442 0.941 0 40 FCAB C[C@H]1CN(C(=O)c2cccc(CN)c2)CCN1c1nccn2cnnc12 1576796763 WJLNZXFNJXMUTL-ZDUSSCGKSA-N 351.414 0.934 0 40 FCAB CC[C@H]1OC2(CCN(C(=O)c3c(OC)ncnc3OC)CC2)NC1=O 1615593250 ZNPLBRWUPBYLQJ-SNVBAGLBSA-N 350.375 0.351 0 40 FCAB Cn1cncc1C(=O)N1C[C@H]2CN(c3ncnc4c3ncn4C)C[C@@H]2C1 1888899216 MELLPDAYYRLJEP-VXGBXAGGSA-N 352.402 0.305 0 40 FCAB COC(=O)C1=NN[C@@]2(C)C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 637598 FDSAAQCNOZPNJZ-YMTOWFKASA-N 366.171 0.829 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3nn(C)c(C)c3Cl)[C@H]2SC1 2758711 JPYGNUTTXKHNGF-TVQRCGJNSA-N 370.818 0.754 0 40 FCAB C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N(C)CCO)[C@H](C)[C@H]12 3928354 TXIKZYDEXVCISH-FNCVBFRFSA-N 360.457 0.082 0 40 FCAB COc1ccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c2ncnn32)cc1OC 4728085 RQXFJQXMXRFMQT-SNVBAGLBSA-N 355.354 0.919 0 40 FCAB CCOC(=O)[C@H]1C(=O)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1 4992855 WUTCWCVITCRHRV-DGCLKSJQSA-N 357.366 0.347 0 40 FCAB OC[C@@H]1O[C@@H](n2cc(Br)c3c(=S)nc[nH]c32)[C@@H](O)[C@@H]1O 6505207 JPAXVONCMNIIEJ-IZCITBFLSA-N 362.205 0.468 0 40 FCAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 6608775 ZJPHKBKCBBVLDS-IAQYHMDHSA-N 359.448 0.036 0 40 FCAB CC[C@H](C)NC(=O)CN(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430883 IJCADYAXMRBZBQ-ZDUSSCGKSA-N 373.457 0.908 0 40 FCAB CN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 12983665 AZAZRJWHUQDXAH-CYBMUJFWSA-N 353.444 0.552 0 40 FCAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)n1 13722180 VTAPCKYDHNYIJT-UHFFFAOYSA-N 367.413 0.895 0 40 FCAB O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccon1 14167233 RYOYHGCASZIUCY-UHFFFAOYSA-N 368.390 0.759 0 40 FCAB C[C@H](C(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1)N1CCCC1=O 19078360 UGABSZOTYLLOSO-KGLIPLIRSA-N 358.442 0.906 0 40 FCAB CC/C(NCCN1CCOCC1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 20289161 SNWGWABDTWPLSD-FOCLMDBBSA-N 372.425 0.855 0 40 FCAB CCOC(=O)c1cccc(OC[C@@H](O)CN2CCN(C(C)=O)CC2)c1 23640423 OGOGFTRVFXPBEJ-INIZCTEOSA-N 350.415 0.767 0 40 FCAB O=C(c1cc(C2CC2)on1)N1CCN(S(=O)(=O)N2CCCC2)CC1 30202599 HJIPQGBMFDDIQE-UHFFFAOYSA-N 354.432 0.650 0 40 FCAB C[C@@]1(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)CCS(=O)(=O)C1 36068449 ABXRPGRDTPOBQE-DOTOQJQBSA-N 370.446 0.892 0 40 FCAB COc1ccc(OC)c2c1CN(CCC(=O)N1CCOCC1)C[C@H]2O 40120273 ZHSYHDUTAUPJDT-CQSZACIVSA-N 350.415 0.802 0 40 FCAB Cn1cc(S(=O)(=O)NCC(C)(C)c2ccccc2F)c(=O)n(C)c1=O 58193624 XMLDHCSZCULTQZ-UHFFFAOYSA-N 369.418 0.479 0 40 FCAB C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCC1 58215036 LUQHLQFGCMBYRB-LLVKDONJSA-N 360.457 0.379 0 40 FCAB C[C@@H](Sc1n[nH]c(=O)n1C[C@@H]1CCCO1)c1nc(N)nc(N(C)C)n1 58380620 SACGMNMJPGCQTO-BDAKNGLRSA-N 366.451 0.437 0 40 FCAB O=C(Cc1ccc(O)cc1)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1 72346910 OGQXTTFFLXHISL-UHFFFAOYSA-N 370.409 0.440 0 40 FCAB COCCOc1ccccc1N1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 79107514 CRCFUHGUOZEAQG-UHFFFAOYSA-N 374.441 0.969 0 40 FCAB CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(C)cc1 95996031 RRJZINUEKDEUKC-OAHLLOKOSA-N 363.414 0.314 0 40 FCAB O=c1cc(CN2CCCC2)nc2n1CCCN(S(=O)(=O)C1CC1)C2 96059592 HOAMWJIWOAKDSO-UHFFFAOYSA-N 352.460 0.537 0 40 FCAB CN1C[C@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CCN2C[C@H](C(=O)O)C1 96064117 ZOGJLSPFHMPGFU-CVEARBPZSA-N 356.426 0.941 0 40 FCAB COc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCO2)cc1OC 244279952 WTMLYVCHGHUOQU-NSHDSACASA-N 358.416 0.277 0 40 FCAB Cc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3ncccn3)C2)c(=O)n1C 257205807 BAQARNYNBQAWJY-SFHVURJKSA-N 357.414 0.197 0 40 FCAB O=C(O)CCCC(=O)NC[C@@]1(O)CCN(c2ccnc3ccncc23)C1 257206940 BFOCTVMRNYBNMV-SFHVURJKSA-N 358.398 0.942 0 40 FCAB COC1(OC)CCN(C(=O)c2nn(-c3cccc(F)c3)cc2O)C[C@H]1O 636075088 SXPQAOKYCBHFKX-CQSZACIVSA-N 365.361 0.913 0 40 FCAB CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cccn(C)c1=O)CCC2 1565545131 VZDOUBODYCYDLN-UHFFFAOYSA-N 357.414 0.720 0 40 FCAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@H]2C[C@@H](C(=O)N3CCCCO3)O[C@@H]2C1 1565549162 MYHNADWGSXMCBB-RWHKXBQASA-N 350.415 0.439 0 40 FCAB C[C@H]1CNC(=O)[C@]2(CC=CCOc3ccccc3C(=O)N1)CNCCO2 1772770517 DAZAPXCMOKHQKR-LIRRHRJNSA-N 359.426 0.618 0 40 FCAB Cn1ccc(C(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)n1 1888899227 NTDUNUQAJRZBRV-RYUDHWBXSA-N 352.402 0.305 0 40 FCAB Cc1cccc(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)n1 6920230 XMKZSLINGIFYDW-UHFFFAOYSA-N 351.366 0.855 0 40 FCAB C[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)N1CCCCC1 12187890 MOZBISCMRPNVEL-NSHDSACASA-N 367.427 0.697 0 40 FCAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)CC1 12289946 VXDAQZPQMBFJKD-UHFFFAOYSA-N 355.416 0.426 0 40 FCAB C[C@@H]1CN(CC(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)C[C@@H](C)O1 19497427 VLWVMHRSGCAWJL-OAGGEKHMSA-N 373.501 0.938 0 40 FCAB CC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 24837281 JJMHIVRBWIDHOX-UHFFFAOYSA-N 365.455 0.679 0 40 FCAB CC(=O)N1C(=O)[C@]2(N=C(N)Nc3nc(=O)c4ccccc4n32)c2ccccc21 39921226 ULJPYNFTHZOEFZ-IBGZPJMESA-N 374.360 0.731 0 40 FCAB CN(CC(=O)N[C@H](c1ccccc1F)c1nccn1C)S(C)(=O)=O 40073919 VLUWDJJLUUFOLP-CQSZACIVSA-N 354.407 0.656 0 40 FCAB Cn1cc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cn1 58214631 FSCIUIDTAKNAKU-CYBMUJFWSA-N 368.484 0.994 0 40 FCAB CS(=O)(=O)N1CCN(Cn2nc(-c3ccccc3F)ccc2=O)CC1 66792226 NOFMIQJONNKRCX-UHFFFAOYSA-N 366.418 0.584 0 40 FCAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(CC2(CO)COC2)CC1 89100147 JCPLDDHEKCXJCS-UHFFFAOYSA-N 362.398 0.280 0 40 FCAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(c3cc(OC)ncn3)CC2)O1 96243539 BIJVGELUQOEKSZ-LBPRGKRZSA-N 358.402 0.322 0 40 FCAB O=C(NCC1CC1)[C@H]1Cn2ccnc2C2(CCN(C(=O)NC3CC3)CC2)O1 96243632 NWEWFKFJVXXXDQ-OAHLLOKOSA-N 373.457 0.971 0 40 FCAB COc1ccc(NC(=O)C(C)(C)NS(C)(=O)=O)cc1C(=O)N(C)C 225957738 DUNKJAIXOIIGHE-UHFFFAOYSA-N 357.432 0.663 0 40 FCAB COc1ccc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cc1OC 238867360 MBVQNXBBVATTGB-UHFFFAOYSA-N 350.400 0.979 0 40 FCAB CC(=O)N1CCC[C@@H]2N(C(=O)CNC(=O)c3nonc3C)CCC[C@@]21C 257230794 GDXWZJYLFVMVRF-GUYCJALGSA-N 363.418 0.500 0 40 FCAB Cc1nc2ccccn2c1CC(=O)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257265362 LYIVGFKXPZVCKO-SPYBWZPUSA-N 358.442 0.526 0 40 FCAB CN(C)Cc1ccnc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)n1 257268903 MNSOALBROSEVLM-CQSZACIVSA-N 355.464 0.252 0 40 FCAB Nc1nccnc1[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)CCO1 257339247 ZAXXZYXCNGRBLP-VIFPVBQESA-N 356.308 0.874 0 40 FCAB Cn1cc(CN2CC[C@]3(CCn4ncnc4[C@@H]3NC(=O)C3CC3)C2)cn1 306124779 BZHFUKZXAYUEQR-YJBOKZPZSA-N 355.446 0.875 0 40 FCAB CCS(=O)(=O)CCN1Cc2ccnn2[C@H](CCNC(=O)N(C)C)C1 306140674 VAJLSLKEAKQUDM-CYBMUJFWSA-N 357.480 0.336 0 40 FCAB CC[C@@H]1OCCC[C@H]1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 559309088 WXEXXAUEPYKLCG-CVEARBPZSA-N 358.504 0.913 0 40 FCAB O=C(O)[C@@H]1CN(S(=O)(=O)c2cscc2Br)CCO1 630419055 CMZTVEMSULRHHO-ZETCQYMHSA-N 356.219 0.985 0 40 FCAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@]1(OCCO)CCSC1 1565523086 GIYQHJGETXXOTR-KRWDZBQOSA-N 356.488 0.994 0 40 FCAB COc1cnccc1C(=O)N1Cc2nnn(C)c2[C@H](COCCN(C)C)C1 1614932548 CDRLQVMMGASVTB-ZDUSSCGKSA-N 374.445 0.537 0 40 FCAB Cc1ccsc1CN1CC[C@@](O)(CNC(=O)c2cnco2)[C@H](O)C1 1848356325 UUNVFRRDBMYMNK-GDBMZVCRSA-N 351.428 0.772 0 40 FCAB CN(C)S(=O)(=O)N1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@H]21 2055725620 MOGOUSQHYWAUBS-BZUAXINKSA-N 355.460 0.884 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(CC2CCOCC2)CC1 2055782234 RTQFQIVSTOBSMJ-UHFFFAOYSA-N 350.463 0.863 0 40 FCAB COc1ccc([C@@H](NC(=O)n2[nH]c(=O)[nH]c2=O)P(=O)(OC)OC)cc1 1872239 GEDQQZAWOMFVSJ-JTQLQIEISA-N 372.274 0.616 0 40 FCAB COc1cc(/C=C/C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1O 2640475 BDJVCSWNINLTLF-OGOUPESXSA-N 369.395 0.261 0 40 FCAB Cc1ccc2c(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc(=O)oc2c1 4829786 BNBDBBBBYBZYMA-UHFFFAOYSA-N 352.350 0.897 0 40 FCAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)O)CC2)cc1 5151693 RDLVWYVCXIOWHV-LBPRGKRZSA-N 354.428 0.985 0 40 FCAB CN(C)CC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cncnc3)ccc(=O)n1C2 5439329 CYILRMNSPHLFMP-UONOGXRCSA-N 353.426 0.813 0 40 FCAB biogenic,in-vitro O=C(COC(=O)Cc1c(F)cccc1Cl)N[C@@H]1CCS(=O)(=O)C1 5508359 MNARCKGPUJKFSR-SECBINFHSA-N 363.794 0.868 0 40 FCAB Cc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)N[C@H]1CCSC1=O 6667869 ADYZFCDUBXUUFT-NSHDSACASA-N 353.429 0.590 0 40 FCAB CN(CC(=O)NCc1ccco1)C(=O)CCN1C(=O)NC(C)(C)C1=O 8341188 OZKCUQNWWIJUIK-UHFFFAOYSA-N 350.375 0.075 0 40 FCAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ncccc1O 9339056 NBOWQTKRFKXFKR-UHFFFAOYSA-N 366.399 0.399 0 40 FCAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NCCN(C)C 13693240 HDZXYOGCNOZSBU-UHFFFAOYSA-N 353.375 0.107 0 40 FCAB O=C(CSc1nc(O)c2cnn(CCO)c2n1)NCc1ccccc1 15881237 ZZFORSWGDZDHLY-UHFFFAOYSA-N 359.411 0.933 0 40 FCAB O=C(c1cc(S(=O)(=O)N2CCCC2)c[nH]1)N1CCC2(CC1)OCCO2 24996787 DYPQGASCHOKAJH-UHFFFAOYSA-N 369.443 0.778 0 40 FCAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 27023281 QYEQVZOPVIULPU-UHFFFAOYSA-N 353.404 0.390 0 40 FCAB COc1cc(OC)c(S(=O)(=O)N2CCN(C)CC2)cc1NC(C)=O 36054960 LROJVJSPDQDKPT-UHFFFAOYSA-N 357.432 0.598 0 40 FCAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNS(C)(=O)=O 40158145 UFBMHUPLHQLNEE-UHFFFAOYSA-N 368.242 0.940 0 40 FCAB COC(=O)CN(Cc1ccccc1Cl)CN1C(=O)C(=O)N(C)C1=O 57099819 MZLMCMHRCMKXKW-UHFFFAOYSA-N 353.762 0.693 0 40 FCAB C[C@@H](C(=O)N(C)CC(=O)N[C@H](CC(N)=O)C1CCCCC1)n1cccn1 72310455 BMMAMIMJSQLYPS-DZGCQCFKSA-N 363.462 0.843 0 40 FCAB Cc1csc(NC(=O)CNC(=O)N2CCN(c3ncccn3)CC2)n1 72400944 DMDFKPQWDAKYFH-UHFFFAOYSA-N 361.431 0.712 0 40 FCAB NC(=O)[C@H]1Cc2ccccc2N(C(=O)Cc2ccc(-n3cnnn3)cc2)C1 75590269 LJFGXHMUXZZCRD-HNNXBMFYSA-N 362.393 0.896 0 40 FCAB Cc1cc(=O)c(OCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)cn1C 95472401 VPDUNCPCMGCCFG-UHFFFAOYSA-N 371.319 0.725 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1 95986230 LQNVOAHJZITQFW-UHFFFAOYSA-N 354.472 0.843 0 40 FCAB CCS(=O)(=O)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96037122 CNJMLEDDPDIZNK-UHFFFAOYSA-N 374.484 0.789 0 40 FCAB Cn1cc(CN2CC[C@@]3(C[C@@H](NS(=O)(=O)C4CC4)CCO3)C2)cn1 96206470 JCBKWLMQVGUSJG-GOEBONIOSA-N 354.476 0.625 0 40 FCAB Cn1cc(N2C[C@]3(COCCN(C(=O)c4ccc[nH]4)C3)OCC2=O)cn1 96240219 YDYHRDXRVAOIPE-QGZVFWFLSA-N 359.386 0.023 0 40 FCAB O=C(NC1CC(F)(F)C1)[C@@H]1CN(C(=O)c2cnccn2)Cc2ccnn21 575403944 JCUHHGCWPBDPPN-ZDUSSCGKSA-N 362.340 0.784 0 40 FCAB CCS(=O)(=O)N1Cc2ccnn2[C@H](CCNS(=O)(=O)C2CC2)C1 585111824 CJNDYYJSEZRFEW-GFCCVEGCSA-N 362.477 0.061 0 40 FCAB O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(C1)CN(C1COC1)C2 604381793 OSYXIHYTJBQUKX-CQSZACIVSA-N 361.417 0.436 0 40 FCAB biogenic,in-vitro CN(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@@H](CO)Cc1ccccc1 616936419 GHLSSZVBEZHYCP-CYBMUJFWSA-N 351.428 0.348 0 40 FCAB NC(=O)c1cc2c(nc1O)CCC[C@@H]2NC(=O)c1cc2n(n1)CCCC2=O 1141465204 BNPOMJOTPQZYHF-LBPRGKRZSA-N 369.381 0.867 0 40 FCAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cnn(C)c5)C[C@@H]4C3)nn12 1888879266 MLZRRGSPOJNJCG-KBPBESRZSA-N 352.402 0.375 0 40 FCAB COCCNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)COC)C1 2055746428 DGGFYYWHZUNFIU-KRWDZBQOSA-N 353.394 0.618 0 40 FCAB Cc1cc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n2ncnc2n1 2086884703 LHFLFQVPOXVHNW-GFCCVEGCSA-N 366.372 0.896 0 40 FCAB CCCCCOC(=O)Nc1nc(=O)n([C@H]2O[C@@H](C)[C@@H](O)[C@@H]2O)cc1F 1865093 GAGWJHPBXLXJQN-UKKREREHSA-N 359.354 0.760 0 40 FCAB COC(=O)Cn1c(=O)c2c(nc3n2CCCN3Cc2ccco2)n(C)c1=O 4249259 UARXYJZVWQWQDJ-UHFFFAOYSA-N 373.369 0.073 0 40 FCAB COC(=O)C1=NN[C@]2(CC(=O)N(c3cccc(Br)c3)C2=O)C1 4844496 GOJDVMLCZZEQGL-AWEZNQCLSA-N 366.171 0.974 0 40 FCAB CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1 5107678 CISWJKGTMKTKBW-UHFFFAOYSA-N 356.429 0.972 0 40 FCAB C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5895176 LJYKTCAARDGSQB-VIFPVBQESA-N 356.356 0.092 0 40 FCAB CC(C)Cn1c(N)c(C(=O)CSc2nccn2C)c(=O)n(C)c1=O 6589503 WLSSWBFFKKEASM-UHFFFAOYSA-N 351.432 0.494 0 40 FCAB CCC(CO)(CO)NC(=O)c1nc(-c2ccc(OC)c(OC)c2)no1 12407960 XUWAOQVPNFHVDI-UHFFFAOYSA-N 351.359 0.617 0 40 FCAB CN1CCCc2cc(CCNC(=O)C(=O)NCCN3CCOCC3)ccc21 13006778 JOTCQZQGCXRSEV-UHFFFAOYSA-N 374.485 0.176 0 40 FCAB Cc1c(C(=O)OCC(=O)Nc2ccccc2S(C)(=O)=O)cnn1C 13297815 HEFDFMWSJCUVRU-UHFFFAOYSA-N 351.384 0.928 0 40 FCAB Cn1c(=O)c2c(nc(NCCN)n2C/C=C/c2ccccc2)n(C)c1=O 13748439 KIOCZDZIYNCFLB-RMKNXTFCSA-N 354.414 0.518 0 40 FCAB C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 14182722 RBWIPQNJRGIIJI-ILXRZTDVSA-N 371.441 0.689 0 40 FCAB Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(N)=O 20416266 FJSDJHJXVYMNCY-UHFFFAOYSA-N 373.435 0.498 0 40 FCAB CS(=O)(=O)N1CCc2cc(C(=O)NCc3nnc4n3CCC4)ccc21 22191754 ORHTZRJHZYKQSH-UHFFFAOYSA-N 361.427 0.476 0 40 FCAB CS(=O)(=O)N1CCc2cc(C(=O)NCCN3CCOCC3)ccc21 45823990 IIBXKIQARFSYRU-UHFFFAOYSA-N 353.444 0.071 0 40 FCAB COc1ccc(CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1OC 58161635 DJUUMAHVYAMYIE-CYBMUJFWSA-N 371.459 0.927 0 40 FCAB CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)cc1 58266327 RYQWUQOHZMTBDN-ZDUSSCGKSA-N 353.444 0.535 0 40 FCAB CCNC(=O)CN1CCCN(C(=O)CCCNC(=O)OC(C)(C)C)CC1 60093166 LYAVBMVWECKBTQ-UHFFFAOYSA-N 370.494 0.962 0 40 FCAB Cc1noc(C)c1CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 64053350 YEBLKARCDPZBAS-CQSZACIVSA-N 350.419 0.088 0 40 FCAB CSCC[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)O 71333439 JNOQULWSPUEHTG-CYBMUJFWSA-N 353.444 0.835 0 40 FCAB CCN(CC)c1nc(C)cc(C(=O)N2CCN(S(C)(=O)=O)CC2)n1 72240371 VDCZBFPEMMHJMF-UHFFFAOYSA-N 355.464 0.349 0 40 FCAB CCC[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1nnn[nH]1 75107564 RJZSVYMEFYMVSV-WCQYABFASA-N 356.390 0.277 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@](C)(O)c1ccc2c(c1)OCO2 96025785 KFDLZSFKXWHVTP-INIZCTEOSA-N 367.427 0.952 0 40 FCAB CCN1C[C@]2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(=O)N(C)C)C2 96036211 ORLQVALKQDXOOD-SFHVURJKSA-N 362.478 0.458 0 40 FCAB O=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(C(=O)c3ccnnc3)C2)C1 96225629 GEVYPAWOVVOCHA-SUMWQHHRSA-N 359.386 0.133 0 40 FCAB COc1ccccc1N(CCCC(=O)NCCN(C)C)S(C)(=O)=O 225806452 AXRJOAWHZFALRJ-UHFFFAOYSA-N 357.476 0.919 0 40 FCAB Cn1cnc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3COc2cccnc2)c1 248160538 XKBDICLRYGGWCQ-CYBMUJFWSA-N 364.427 0.674 0 40 FCAB CN(C(=O)c1ccc2[nH]cnc2c1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257250616 JNHUKBRAAJVOKT-JFIYKMOQSA-N 371.441 0.349 0 40 FCAB COc1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4ccnnc4)[C@H]3C2)ncn1 306133225 MFPXFPOUEBJTSG-MGPQQGTHSA-N 356.386 0.156 0 40 FCAB COc1cc(N2C[C@H]3OC[C@@H](CNC(=O)c4cnccn4)[C@H]3C2)ncn1 306134207 NFSWYFFRPRFZBD-YRGRVCCFSA-N 356.386 0.156 0 40 FCAB CCOCCOc1ccc(CN2C[C@@H](O)[C@H](NC(=O)COC)C2)cc1 585269918 QDIPSTHSRSALKL-IAGOWNOFSA-N 352.431 0.410 0 40 FCAB C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 1565550931 JXQACDXJNCRBTR-UVBSCNOISA-N 361.446 0.741 0 40 FCAB CC(C)NC(=O)c1nnc2n1C[C@@]1(CCN(C(=O)C3(F)CCC3)C1)OC2 1565554669 DGTBBZYTJWQYCB-INIZCTEOSA-N 365.409 0.810 0 40 FCAB O=C(c1ccn(-c2cccc(-c3nn[nH]n3)c2)n1)N1CCN(C2CC2)CC1 1609583470 AFEPOLLXXKAYCP-UHFFFAOYSA-N 364.413 0.973 0 40 FCAB O=C(CN1CCO[C@H](C(=O)N2CCOCC2)C1)Nc1ccc(F)cc1 1888928812 CRELKMNGQQSNFY-HNNXBMFYSA-N 351.378 0.324 0 40 FCAB CS(=O)(=O)N[C@@H]1CCc2onc(CNC(=O)C3CC(F)(F)C3)c2C1 2055729825 QWJXXGWKLAEJQH-SECBINFHSA-N 363.386 0.743 0 40 FCAB Cn1c(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@@H]3C2)cccc1=O 2055750736 USRVORVLJVCTNC-SJORKVTESA-N 354.410 0.506 0 40 FCAB CC(C)NC(=O)[C@H](C)N1CCN(Cc2nnc([C@H]3CCOC3)o2)CC1 2086866235 UUZZNZMUOKJVPO-KBPBESRZSA-N 351.451 0.604 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3c(C)nn(C)c3C)[C@H]2SC1 2783860 ZUUVNGPHBJSYKK-IINYFYTJSA-N 350.400 0.409 0 40 FCAB CCOC(=O)c1c(C)oc(NC(=O)CSc2nncn2C)c1C(N)=O 14196967 NIPFRKWLRYMFBH-UHFFFAOYSA-N 367.387 0.723 0 40 FCAB CCN1CCN(C(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)CC1 19527839 YWYNHQTXRCYETA-UHFFFAOYSA-N 355.460 0.625 0 40 FCAB O=S1(=O)CC[C@H](S(=O)(=O)N2CCN(Cc3ccccc3)CC2)C1 19912243 BQJYCEVHSKDPOY-HNNXBMFYSA-N 358.485 0.321 0 40 FCAB CCN(CC)C(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22228523 YJCMTELLSPLFGR-UHFFFAOYSA-N 369.487 0.900 0 40 FCAB O=S(=O)(O)c1ccc2cc(S(=O)(=O)O)c(S(=O)(=O)O)cc2c1 33359462 FAMAGPXMXMUBMH-UHFFFAOYSA-N 368.366 0.580 0 40 FCAB CC(C)N(C)S(=O)(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 40105637 PYBALSCOQJMBPQ-UHFFFAOYSA-N 370.523 0.707 0 40 FCAB C=COCCCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C 55104301 BUVWGVWUWFCUMQ-UHFFFAOYSA-N 353.400 0.066 0 40 FCAB O=C(CNC(=O)N1CCN(c2ccccn2)CC1)NCc1ccccn1 72405338 WFWZGEPPZZXQGM-UHFFFAOYSA-N 354.414 0.625 0 40 FCAB Cc1cccc2c(=O)n(CC(=O)O[C@H](C)CNS(C)(=O)=O)cnc12 84230320 VVZYCXADMMJYHI-LLVKDONJSA-N 353.400 0.186 0 40 FCAB NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)Nc1cc(Cl)nc(N)n1 89830011 FXPLHFSNONZNBX-LLVKDONJSA-N 362.821 0.727 0 40 FCAB COCCN1CCC2(CC1)CC1(CCN(S(C)(=O)=O)CC1)N(C)C2=O 96143681 XZVVWWGVCOISFF-UHFFFAOYSA-N 373.519 0.371 0 40 FCAB COC[C@@H]1CC2(CCN(C(=O)CS(C)(=O)=O)CC2)CN1CC1CC1 96220755 UBWPXHWYASYWMS-HNNXBMFYSA-N 358.504 0.771 0 40 FCAB Cc1cnc(C(=O)N2CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]2C)cn1 253601535 SYJKPAHSWNIJFK-QWHCGFSZSA-N 356.448 0.201 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)c2cnc(C)cn2)CCN1CCc1ccccc1 257245505 IPUPUVFJKNYMTH-SFHVURJKSA-N 367.453 0.900 0 40 FCAB CSCC(=O)N1CC2(C1)[C@H](COc1nccc(C)n1)CCS2(=O)=O 306130703 JNDJPMJNUNXERR-LBPRGKRZSA-N 371.484 0.543 0 40 FCAB CCN1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC)cc2)CC1 408611569 XNRMBRMTWJMHST-ZDUSSCGKSA-N 355.460 0.526 0 40 FCAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(CC(=O)N2CCNC2=O)C1 548009202 ZWDVZJHKMKWNKB-OAHLLOKOSA-N 351.432 0.040 0 40 FCAB CN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 575425809 XCXAEKPSXYXINV-QWRGUYRKSA-N 374.267 0.772 0 40 FCAB CCn1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c(C(F)(F)F)n1 575451998 DDHXPUFOFVBXLC-ZDUSSCGKSA-N 359.308 0.736 0 40 FCAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)Cc1ccn(C)n1)CC2 585113564 VTPASPBLWXGIDI-AWEZNQCLSA-N 360.458 0.981 0 40 FCAB CCN(C(=O)/C=C/c1cc(OC)cc(OC)c1)[C@@H]1COC[C@@H](O)[C@H]1O 585287080 SQFCKDGPVFBZJD-YKTJGPKUSA-N 351.399 0.686 0 40 FCAB CC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)[C@@H](C)CO1 650699591 FFWOJWIHEDHTKO-WCQYABFASA-N 370.427 0.689 0 40 FCAB CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(C(=O)NC[C@@H]2CCCCO2)C1 681931875 HTQBGDRPGQTGMF-KGLIPLIRSA-N 364.450 0.549 0 40 FCAB O=C(c1coc(CN2CC[C@H](O)C2)n1)N1CCN(c2ccccn2)CC1 685943833 AOPSKXQZHPOYBP-AWEZNQCLSA-N 357.414 0.599 0 40 FCAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1146166977 JBGTWHMBPTVMAY-KBPBESRZSA-N 370.438 0.881 0 40 FCAB Cn1nc(C2CC2)cc1CNC(=O)Cc1ccc(S(N)(=O)=O)s1 1645284504 QRPNSIPREHZFJJ-UHFFFAOYSA-N 354.457 0.865 0 40 FCAB Cn1nccc1CN1CCC[C@]2(CCCN(C(=O)Cn3cnnn3)C2)C1 2056224818 XHRSCDOHJPQLGJ-KRWDZBQOSA-N 358.450 0.311 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2CC(=O)c1ccccc1 2199487 CTPKHAZKEZMOBN-UHFFFAOYSA-N 357.370 0.101 0 40 FCAB O=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1ncc(Cl)cc1Cl 2638021 PHEFTBKGSPYYBO-UHFFFAOYSA-N 359.125 0.561 0 40 FCAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NC2CC2)C1=O 5263372 CBUAXTYAHQEZSW-GOSISDBHSA-N 359.382 0.894 0 40 FCAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCCN1CCOCC1 13583005 QIBHMWIKKFFRIR-UHFFFAOYSA-N 371.459 0.153 0 40 FCAB Cc1nnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc1O 15911764 GHVUFDNHSJOHII-UHFFFAOYSA-N 363.399 0.555 0 40 FCAB O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCC3)N(CCO)CCO 17137980 ZJFAWHHRLUODQT-UHFFFAOYSA-N 369.468 0.379 0 40 FCAB Cn1cccc1C(=O)NCCNS(=O)(=O)c1cccc2nsnc12 19079421 CIDWZTQDRHFVKU-UHFFFAOYSA-N 365.440 0.738 0 40 FCAB Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)N3CCOCC3)CC2)on1 23670586 WWJIREOOPXTLRG-CYBMUJFWSA-N 351.407 0.380 0 40 FCAB Cn1c(=O)n(CC(=O)Nc2ccc(CS(N)(=O)=O)cc2)c2ccccc21 25461023 WCIGFALCCZDTNE-UHFFFAOYSA-N 374.422 0.767 0 40 FCAB O=CN1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3cc(F)ccc23)CC1 36365977 JIVIOKZXCHMAKO-MRXNPFEDSA-N 363.345 0.765 0 40 FCAB CN(C[C@@H](O)COCc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 65626968 UNGUFALMANKZAH-LSDHHAIUSA-N 356.444 0.393 0 40 FCAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)NCCN1CCOCC1 95477001 NRXQEDFZQIPHPA-INIZCTEOSA-N 374.441 0.192 0 40 FCAB C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1C[C@H](O)[C@@]2(O)C(=O)C=O 96031380 IPVGZABZDDNYKO-BBFUSHLSSA-N 374.433 0.735 0 40 FCAB COCC(=O)NCc1cc(=O)n2c(n1)CN(Cc1ccsc1)CCC2 96059638 YPYUJWXAQMQPDM-UHFFFAOYSA-N 362.455 0.973 0 40 FCAB COCCN1C[C@H](C(=O)O)CN2CCN(C(=O)c3ccco3)C[C@@H]2C1 96064137 XULLORJRGLEDQE-KBPBESRZSA-N 351.403 0.069 0 40 FCAB CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)c3cccnc3)C2)O1 96209588 TYWWNRFWILHPTL-GDBMZVCRSA-N 353.444 0.785 0 40 FCAB COc1ccc(N2CCC[C@@H](C(=O)NCCCN3CCOCC3)C2)nn1 96223344 DJYUVYPJHANDNP-OAHLLOKOSA-N 363.462 0.540 0 40 FCAB CCN(CC)S(=O)(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257262980 LNVYFYDQVRRXSG-CYBMUJFWSA-N 355.451 0.741 0 40 FCAB CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@@H]1CCn2ccnc2C1 548311574 QKLOTNJBVDPBML-SNVBAGLBSA-N 354.457 0.940 0 40 FCAB CN(C)c1nc(CNC(=O)CNC(=O)c2ccccc2)nc(N(C)C)n1 575607453 NNIJJACXDNTSPT-UHFFFAOYSA-N 357.418 0.050 0 40 FCAB CN1c2ccc(F)cc2N(CCNC(=O)NC2CCOCC2)S1(=O)=O 575613915 XYIQIGXZBBNCOM-UHFFFAOYSA-N 372.422 0.805 0 40 FCAB CC(C)n1cc(CN2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)cn1 585112228 NEZIGHKQDDKLNR-OAHLLOKOSA-N 352.464 0.767 0 40 FCAB CN1CCCN(C[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)CC1 585291528 RGLYAHYHWIPRCL-QUCCMNQESA-N 361.486 0.191 0 40 FCAB N[C@H](C(=O)N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(F)cc1F 662733539 LKYDCSTYOYQWPN-YOEHRIQHSA-N 368.428 0.487 0 40 FCAB Cn1nccc1CN1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@@H]2C1 1549160875 IBQZXXQYKGRGLW-INIZCTEOSA-N 373.457 0.828 0 40 FCAB CN(C)C(=O)N1CCN(C(=O)C2CC(F)(F)C2)C[C@@]2(CNC(=O)C2)C1 1614936540 AEPQJMNOPGXUCX-OAHLLOKOSA-N 358.389 0.364 0 40 FCAB Cn1cc(CC(=O)N2C[C@@H]3CN(CC(=O)NC4CCCC4)C[C@]3(C)C2)cn1 1616031991 CKJQYPGIXXQKFA-OXJNMPFZSA-N 373.501 0.802 0 40 FCAB CCOc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)C(C)(C)C(N)=O)C2)[nH]n1 1757355397 RGZYIWCUHOQYFY-WDEREUQCSA-N 365.434 0.335 0 40 FCAB COCCNC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2C)c1=O 4479308 RNLPGXFOYVAMBW-UHFFFAOYSA-N 355.398 0.962 0 40 FCAB OC[C@@H]1O[C@H](n2cc(Br)c3c(Cl)ncnc32)[C@@H](O)[C@@H]1O 4946461 CUKHVEVYOJENQF-YRCUVVFSSA-N 364.583 0.459 0 40 FCAB COCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 5008129 NUILIEWPWBPLHD-UHFFFAOYSA-N 356.444 0.782 0 40 FCAB CNC(=O)NC(=O)COC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 9154661 PDIQHNDSAKPEIM-VIFPVBQESA-N 371.390 0.885 0 40 FCAB Cc1ccccc1Cn1c(=O)c2c(nc3n(CCO)c(C)cn23)n(C)c1=O 10233418 CHISLMCJJFUCBG-UHFFFAOYSA-N 367.409 0.807 0 40 FCAB CN(C)C(=O)[C@H]1CN(C(=O)C(C)(C)N)C[C@@]12CCc1ccccc1C(=O)N2 12125853 WHPOCNYVESILPY-QRWLVFNGSA-N 372.469 0.385 0 40 FCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1 12989663 IHMNOPCKWPGPQE-UHFFFAOYSA-N 352.441 0.753 0 40 FCAB CC(C)NC(=O)CN(C)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 17306608 ZSTDRDZDVRITJF-UHFFFAOYSA-N 374.363 0.615 0 40 FCAB Cc1cc(NC(=O)COC(=O)Cn2c(=O)n(C)c3ccccc32)n(C)n1 21931241 NOJWESSEHACGDR-UHFFFAOYSA-N 357.370 0.564 0 40 FCAB C[C@H]1CN(CCNC(=O)Cn2nc(O)c3ccccc3c2=O)C[C@@H](C)O1 22611923 HXCDDZRXEUIHIF-BETUJISGSA-N 360.414 0.328 0 40 FCAB COC(=O)[C@H](CCSC)NC(=O)Cc1nn(C)c(=O)c2ccccc12 22975952 YCEAGOAKWZJGAU-ZDUSSCGKSA-N 363.439 0.887 0 40 FCAB CCOc1ccc(OC[C@@H](O)CN2CCN(S(C)(=O)=O)CC2)cc1 32490600 GDUMYRLPGJLXSP-AWEZNQCLSA-N 358.460 0.402 0 40 FCAB CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 35465101 GJZJZRWFRZFTEE-XDSGERIXSA-N 374.430 0.029 0 40 FCAB biogenic,in-vitro NS(=O)(=O)c1cc(F)cc(NC(=O)c2cccc(-n3cnnn3)c2)c1 58134976 UKRADEHGVIOZPR-UHFFFAOYSA-N 362.346 0.701 0 40 FCAB NC(=O)Cn1c(=O)n(CCO)c(=O)c2c3c(sc21)CCc1ccccc1-3 71283178 XKIZRQVOJLRKLF-UHFFFAOYSA-N 371.418 0.468 0 40 FCAB COc1ccc2c(ccn2CCNC(=O)CN2CCNC(=O)C2(C)C)c1 72325443 FGYYLYHAIVJNIK-UHFFFAOYSA-N 358.442 0.977 0 40 FCAB biogenic CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)c3cccnc3O)CC[C@H]21 107803269 XXSKVHZCNKURFU-CHWSQXEVSA-N 355.416 0.052 0 40 FCAB COc1cccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)c1 224175189 PXXOUYSINGEDFZ-UHFFFAOYSA-N 364.427 0.800 0 40 FCAB CCCc1nnsc1C(=O)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257220344 DKLNTSHAHSGIMA-MRVWCRGKSA-N 354.476 0.835 0 40 FCAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1 260752576 YVMYRTGSNWFHOJ-ZDUSSCGKSA-N 353.444 0.715 0 40 FCAB Cc1nccnc1CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 294615176 PSQWWHTZERWURG-CVEARBPZSA-N 358.442 0.885 0 40 FCAB CNC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(OC)c2)Cc2ccnn21 585112016 KDMBSMBXJYECAH-ZDUSSCGKSA-N 364.427 0.773 0 40 FCAB Cc1noc(CC(=O)N2CCC3(CC[C@@H](C(=O)NC(C)C)O3)CC2)n1 585113496 RDSQPLFWBQUBTF-ZDUSSCGKSA-N 350.419 0.985 0 40 FCAB COC(=O)[C@@H]1C[C@H](O)CN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)C1 592912390 OHUHXSGMBGXHRN-CABCVRRESA-N 371.393 0.293 0 40 FCAB CNC(=O)C[C@]1(O)CCCN(S(=O)(=O)c2ccccc2COC)C1 643696433 SFPRZTMKCVCILG-MRXNPFEDSA-N 356.444 0.485 0 40 FCAB Cn1nccc1[C@H](NS(=O)(=O)c1cccc2c1OCCCO2)C(=O)O 650231616 UNBZVRIXARFAJC-ZDUSSCGKSA-N 367.383 0.686 0 40 FCAB Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)Cn2cnc3ccccc32)C1 685942142 GLWXTUVYCSVAHZ-WOSRLPQWSA-N 354.414 0.836 0 40 FCAB Cc1cc(C(=O)N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)no1 1888903805 IKBCZRIFOOBFTD-VXGBXAGGSA-N 353.386 0.868 0 40 FCAB COCCNC(=O)C1(Nc2nccs2)CCN(CC(=O)N(C)C)CC1 2055738632 FONZPFLQFVERGP-UHFFFAOYSA-N 369.491 0.240 0 40 FCAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1 3281328 XCHOTIRSSRKLCN-UHFFFAOYSA-N 368.459 0.073 0 40 FCAB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)N1CCOCC1 4711153 ZGUUFODMDFGUGR-UHFFFAOYSA-N 365.405 0.350 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c(=O)n2C 9931299 TXHHUVYERGFANW-SECBINFHSA-N 373.335 0.235 0 40 FCAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N[C@@H]1CCCNC1=O 12239672 SQWSSHGRYHPXTN-CYBMUJFWSA-N 351.428 0.679 0 40 FCAB CS(=O)(=O)N1Cc2ccccc2OC2(CCN(CC(N)=O)CC2)C1 12365548 NUSOPJBHCXPEEP-UHFFFAOYSA-N 353.444 0.161 0 40 FCAB NS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccccc1C(=O)O 19418227 JUXRPKFXRPQGLP-UHFFFAOYSA-N 356.381 0.833 0 40 FCAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 22581680 HGAVJENEOGOUSY-AWEZNQCLSA-N 357.458 0.608 0 40 FCAB Nn1c(COc2ccc(F)cc2)nnc1SCCN1C(=O)CCC1=O 23103756 RBZSVXKYHTZWDA-UHFFFAOYSA-N 365.390 0.951 0 40 FCAB COC(=O)CCN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 23653949 PFEHIZABAXBDKW-UHFFFAOYSA-N 372.443 0.573 0 40 FCAB Cc1cccc(N2CCN([C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 24828968 CYDBSVSWRXCFOI-CVEARBPZSA-N 365.499 0.809 0 40 FCAB C[C@@H](C(=O)NC(N)=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 54639081 QJBYDBJZKUAQKW-NSHDSACASA-N 354.432 0.013 0 40 FCAB COC(=O)[C@@]1(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCSC1 95444101 LOGGUARANJYDDO-MRXNPFEDSA-N 369.443 0.406 0 40 FCAB O=C(NCCO)c1cc(-c2cnc(N3CCOCC3)nc2)cn1CC1CC1 96037720 BJQCRZFEDPSBCL-UHFFFAOYSA-N 371.441 0.914 0 40 FCAB COC(=O)CCC(=O)N1CC[C@@H]2CN(CC(C)C)S(=O)(=O)[C@@H]2CC1 96145606 XFJGTBYRERMKGJ-ZIAGYGMSSA-N 360.476 0.848 0 40 FCAB O=C(CO[C@@H]1CO[C@@]2(CCN(c3ncc(F)cn3)C2)C1)N1CCCC1 96209373 VWZZFAMGHGMENX-YOEHRIQHSA-N 350.394 0.993 0 40 FCAB CCOc1ccc2c(c1)s/c(=N\C(=O)C(=O)OC)n2CC(=O)OC 103746372 HRHUNYWAFFHHSG-NXVVXOECSA-N 352.368 0.875 0 40 FCAB CN(C)C(=O)CN1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 257222367 DTAVGBNESOLHTP-OAHLLOKOSA-N 360.458 0.822 0 40 FCAB Cc1nc([C@]2(C)CCCN(S(=O)(=O)N(C)C)C2)nc2c1CC(=O)N2C 257238824 HMRRWCRZZFQQKT-MRXNPFEDSA-N 367.475 0.464 0 40 FCAB Cc1cn([C@H]2CCN(C(=O)c3cncnc3C)C[C@]2(C)O)c(=O)nc1O 257276175 NSQKWQXMEXZVGF-GUYCJALGSA-N 359.386 0.194 0 40 FCAB COc1ccc(C(=O)CN([C@H]2CCS(=O)(=O)C2)N(C)C)cc1OC 575422488 LMZDKNNQJWIQEM-ZDUSSCGKSA-N 356.444 0.852 0 40 FCAB CCOC(=O)N1CCC(O)(CN2C[C@H]3CCCN3C[C@H]2CCO)CC1 585282209 BQVTWOFMYINNMP-HZPDHXFCSA-N 355.479 0.501 0 40 FCAB COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)C1 592912392 OHUHXSGMBGXHRN-HUUCEWRRSA-N 371.393 0.293 0 40 FCAB CC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)[C@H](C)CO1 650699590 FFWOJWIHEDHTKO-DGCLKSJQSA-N 370.427 0.689 0 40 FCAB COCCN1C(=O)N[C@@H]2CN(C(=O)c3cnn4ccc(C)nc34)CC[C@@H]21 671576852 NQOIICZJQAEIFL-KGLIPLIRSA-N 358.402 0.292 0 40 FCAB CN(Cc1cccn1C)C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 684462529 MOSMUUDGIOFESF-KRWDZBQOSA-N 362.430 0.599 0 40 FCAB Cc1ccc(C(=O)N2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@@H]3C2)o1 1549162191 OTCBUYICAULQDQ-AWEZNQCLSA-N 359.382 0.856 0 40 FCAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC[C@@H]21 1565548428 CUNMUIVGLXYQHI-DZTUFKMZSA-N 359.430 0.008 0 40 FCAB CC(C)CNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3594740 MNVVXBDULCQHHM-GOSISDBHSA-N 358.398 0.862 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)c2cnc3sccn3c2=O)cc1 4121086 OHEPBLIOLZCOTE-UHFFFAOYSA-N 350.381 0.656 0 40 FCAB CC(=O)OCCSc1nc(N2CCOCC2)nc(N2CCOCC2)n1 4743533 RMIGRCXCCTXGBH-UHFFFAOYSA-N 369.447 0.200 0 40 FCAB O=C(NCc1cccnc1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 5315254 LJTXJCULXNENMH-UHFFFAOYSA-N 374.422 0.876 0 40 FCAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCNC2=O)C1=O 8622845 JDQYGXLQKNFHOG-OAHLLOKOSA-N 350.762 0.659 0 40 FCAB COc1ccc(Nc2nc(N)nc(CN3CCC(C(N)=O)CC3)n2)cc1 9331184 AQMLUQCXTXRBTN-UHFFFAOYSA-N 357.418 0.903 0 40 FCAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(S(C)(=O)=O)CC3 12185633 XHMHBDAHBGLRGU-UHFFFAOYSA-N 353.400 0.231 0 40 FCAB Cc1cnc2c(S(=O)(=O)NCCCNS(C)(=O)=O)cccc2c1 12540293 FWOVHZLUCQHLPD-UHFFFAOYSA-N 357.457 0.761 0 40 FCAB Cn1nnc2c(N3CCN(C(=O)COc4ccccc4)CC3)ncnc21 13532619 FSXWXORQQOFYNJ-UHFFFAOYSA-N 353.386 0.486 0 40 FCAB CC[C@H]1c2ccsc2CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 14200336 HAHZTHADTVXVGE-NSHDSACASA-N 362.455 0.920 0 40 FCAB COc1ccccc1NC(=O)CSc1ncc(CO)n1CC(N)=O 16973630 BUXAMRWLFGGBGL-UHFFFAOYSA-N 350.400 0.600 0 40 FCAB Cc1c(S(=O)(=O)N[C@H](C)CCN2CCOCC2)cnn1C(F)F 19553095 HFODECZWZAWLPN-SNVBAGLBSA-N 352.407 0.976 0 40 FCAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1csnn1 20894189 IPHJOEAPCCRLCX-UHFFFAOYSA-N 354.413 0.811 0 40 FCAB O=C(c1cncn1-c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23990079 UIMHLRFDJVYLQD-MRXNPFEDSA-N 374.466 0.817 0 40 FCAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(-n2cncn2)nc1 24882798 DLMROVWVHNQNJW-UHFFFAOYSA-N 372.410 0.969 0 40 FCAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2)c1=O 32682530 OEUOZIZZWBONNM-UHFFFAOYSA-N 357.414 0.758 0 40 FCAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2cccnc2N(C)C)C1 42994730 IORYOIZSGTXTJY-AWEZNQCLSA-N 370.475 0.757 0 40 FCAB COC(=O)CNC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)ccc1=O 49548382 AJTOHFKUFVCLCM-UHFFFAOYSA-N 361.354 0.217 0 40 FCAB O=S(=O)(/N=c1/ccc(N2CCOCC2)c[nH]1)c1cccc2nonc12 84445760 AOBZHOFRPSZAIB-UHFFFAOYSA-N 361.383 0.677 0 40 FCAB Cc1noc([C@@]23CCO[C@@H]2CCN(S(=O)(=O)c2cccnc2)C3)n1 96038745 UVBMSFHGBKDWSU-UKRRQHHQSA-N 350.400 0.894 0 40 FCAB Cc1cc(C(=O)N2CCC3(CCOC[C@@H]3NS(C)(=O)=O)CC2)on1 96219287 VXSMGQGBXNBIMC-ZDUSSCGKSA-N 357.432 0.544 0 40 FCAB O=C1NC(=O)c2ccccc2/C1=C\NNS(=O)(=O)Cc1ccccc1 102122134 PQBZUPYAWOODFJ-XNTDXEJSSA-N 357.391 0.922 0 40 FCAB C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102804815 UZBSKQJZSQINAW-ILXRZTDVSA-N 369.425 0.465 0 40 FCAB Cc1cc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)CC2)ccc1F 253472144 JUDMQRSCWUCYAZ-UHFFFAOYSA-N 355.391 0.839 0 40 FCAB CC1(c2nccs2)CCN(C(=O)CN2CCN(CCO)CC2)CC1 257229138 FWULWEZLAJVOIO-UHFFFAOYSA-N 352.504 0.633 0 40 FCAB CN(C)C(=O)c1cnn2c([C@@H]3CCCCN3S(C)(=O)=O)ccnc12 257230764 GDVHFZPXQLDJGY-LBPRGKRZSA-N 351.432 0.918 0 40 FCAB CC(=O)N1CCN([C@@H]2CCCC[C@@H](NC(=O)c3ccon3)[C@H]2O)CC1 257266180 MBXDDIGEEPZWTD-FVQBIDKESA-N 350.419 0.241 0 40 FCAB CN(C)C(=O)N1CC2(C1)[C@H](COCc1cccnc1)CCS2(=O)=O 306131681 KMBXBACVZJMKOQ-AWEZNQCLSA-N 353.444 0.769 0 40 FCAB CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@H]1CC[S@](=O)C1)C2 572313283 XXYKECGUSQCCLI-MYODQAERSA-N 371.484 0.183 0 40 FCAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cn2cc(Cl)ccc2n1 585287728 CQOYBPICGQLHGE-YVLXSGLVSA-N 353.806 0.818 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CCO1 649421308 COOMRXFBZQGVFT-ZDUSSCGKSA-N 362.373 0.972 0 40 FCAB Cn1cc(N2C[C@@]3(COCCN(C(=O)C4(F)CCC4)C3)OCC2=O)cn1 1614927503 VLBAWEFRIWUOKN-INIZCTEOSA-N 366.393 0.273 0 40 FCAB O=C1CO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1ccccn1 1614930307 ZOVFPTXBMYCITO-KRWDZBQOSA-N 363.389 0.935 0 40 FCAB Cn1cnc2ncnc(N3CCN(c4ncnc5c4cnn5C)CC3)c21 1888917924 SOUFMINWLGYOAP-UHFFFAOYSA-N 350.390 0.367 0 40 FCAB O=C(NCc1ccccc1)C(=O)NC[C@H]1OCCN1C(=O)c1cccs1 4337282 RFNJFHWZNUCZJI-OAHLLOKOSA-N 373.434 0.979 0 40 FCAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC(=O)OCc1ccccc1 6602937 IHMCRYXMECRMEL-UHFFFAOYSA-N 359.382 0.711 0 40 FCAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(=O)[nH]c(=O)[nH]1 8185264 RLVUYOYLCUWOMY-UHFFFAOYSA-N 364.383 0.100 0 40 FCAB CC(=O)NCCNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 9575804 ISHCXCUDKACPQM-CQSZACIVSA-N 369.443 0.010 0 40 FCAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)Cn1cnnn1)c1ccccc1O2 12326322 ANLNBHYSKHDXPW-RDTXWAMCSA-N 370.413 0.694 0 40 FCAB Cc1nnc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)s1 12915156 KDYGTGCGCAKGSL-UHFFFAOYSA-N 357.395 0.857 0 40 FCAB Cc1cc2n(C[C@H](O)CN3C(=O)c4ccccc4C3=O)c(C)cc(=O)n2n1 12950169 SFJXACCQTXSWLG-ZDUSSCGKSA-N 366.377 0.770 0 40 FCAB CC(=O)N[C@@]12CN(Cc3cccnc3N(C)C)CC[C@@H]1CN(C(C)=O)C2 19713557 QAKFADUURVJQAL-IEBWSBKVSA-N 359.474 0.707 0 40 FCAB O=S1(=O)CC[C@H](N2CCN(Cn3nc4ccccn4c3=S)CC2)C1 22847194 ABUCMSPVLJENKS-ZDUSSCGKSA-N 367.500 0.627 0 40 FCAB O=C(CSc1nnc2ncccn12)N1CCN(C(=O)c2ccco2)CC1 35315353 MUADYEZZESYANI-UHFFFAOYSA-N 372.410 0.794 0 40 FCAB COC(=O)[C@H]1CC(=O)N(c2cccc(N3C[C@@H](C(=O)OC)CC3=O)c2)C1 45953650 ROFAKUKPJSFSPU-RYUDHWBXSA-N 360.366 0.738 0 40 FCAB COc1ccc(C)cc1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 55414370 FTNFXBNBOWUWCI-UHFFFAOYSA-N 369.487 0.698 0 40 FCAB Cc1cncn(CC(=O)NCCn2nc(-c3ccccc3)ccc2=O)c1=O 70636878 STBDBLBQEMSVGP-UHFFFAOYSA-N 365.393 0.592 0 40 FCAB O=C(CN1CCC(c2cncc(-n3ccnc3)n2)CC1)N1CCOCC1 72355547 SQVOYPZXNHWZIV-UHFFFAOYSA-N 356.430 0.701 0 40 FCAB CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 94993018 DITINLCKXFGMIH-AWEZNQCLSA-N 373.409 0.273 0 40 FCAB O=S(=O)(CCc1ccccc1)N1CCC(O)(CN2CCOCC2)CC1 95462063 QUJASCWAPUHOQB-UHFFFAOYSA-N 368.499 0.718 0 40 FCAB CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@H]1C(=O)N1CCOCC1 96113106 GXRGCFSVAJQEPL-DOTOQJQBSA-N 361.442 0.806 0 40 FCAB biogenic,in-vitro COCCS(=O)(=O)N1CCN(C(=O)C2=Cc3ccccc3OC2)CC1 96181636 OMQWHDWQQSIKJX-UHFFFAOYSA-N 366.439 0.583 0 40 FCAB CCc1cnc(N2C[C@@H]3[C@@H](C(=O)N(C)C)CCS(=O)(=O)[C@@H]3C2)nc1 96250921 XQNNPJFRUVABQK-BFHYXJOUSA-N 352.460 0.367 0 40 FCAB CCS(=O)(=O)N1CCC2(CC1)CC[C@@]1(C(=O)NC)CN(C(C)=O)C[C@@H]21 96262395 XYMNXRNJHRIEEO-WMLDXEAASA-N 371.503 0.423 0 40 FCAB CNC(=O)[C@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 100451276 XBYRBUQFCKKPGX-NKGVLGIYSA-N 373.453 0.494 0 40 FCAB CC[C@@H]1C(=O)NCCN1C(=O)C1CCN(c2ccc3nncn3n2)CC1 106686731 LPKNYACETKAGOV-CYBMUJFWSA-N 357.418 0.078 0 40 FCAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@H](Oc2cccnn2)C1 225417493 XPMMLQXKQIBXOL-HIFRSBDPSA-N 360.414 0.484 0 40 FCAB CNC(=O)[C@H]1[C@@H]2C(=O)N(C3CC3)[C@@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 245227870 XBYRBUQFCKKPGX-PEJGYKSESA-N 373.453 0.494 0 40 FCAB O=C(CN1CCOCC1)N1CCOC[C@H](Cc2nccn3cccc23)C1 257218469 DDGFURMJERFWRI-MRXNPFEDSA-N 358.442 0.684 0 40 FCAB Cc1ccc(C(=O)N2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1 257265789 MAGFTDMVTWKSDQ-RDJZCZTQSA-N 352.456 0.996 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cc(-c3nccn3C)ncn2)C1 257294060 QSGODEZATQUURO-GFCCVEGCSA-N 350.448 0.548 0 40 FCAB C[C@@H](CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)S(N)(=O)=O 330591182 OHCXIOKUNHNOIJ-BQBZGAKWSA-N 354.354 0.327 0 40 FCAB O=C(Cn1nnc2ccccc21)N[C@H]1CCN(c2ccc3nncn3n2)C1 390832447 ZMUYGAMLPHQIRD-LBPRGKRZSA-N 363.385 0.264 0 40 FCAB COc1ccc(S(=O)(=O)Nc2cn(C)nc2OC)cc1CC(=O)O 473478564 LYGMGLLXTZRYJE-UHFFFAOYSA-N 355.372 0.865 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)[C@H]2CCc3ccccc3C2)CCO1 653279678 ZTUMFNPLSJQMFC-ZWKOTPCHSA-N 374.437 0.952 0 40 FCAB CN1CC(=O)N(CCCC(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)C1=O 680339505 WKPWQXZXVPIBKW-QWHCGFSZSA-N 351.403 0.257 0 40 FCAB O=C(C1=NO[C@@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]12)N1CCOCC1 1565544229 GMQUOEQKNCSJGZ-SMDDNHRTSA-N 360.370 0.238 0 40 FCAB CN(C)C(=O)[C@]1(n2ccnc2)CCCN(C(=O)Cn2ccccc2=O)C1 2055771495 CLIVRCXABCSGMR-SFHVURJKSA-N 357.414 0.151 0 40 FCAB CCN1C[C@]2(COCCN(C(=O)c3cccc(Cl)n3)C2)OCC1=O 2055784334 KIWUXKDZKRHECH-INIZCTEOSA-N 353.806 0.825 0 40 FCAB O=C(NCc1ccon1)[C@H]1C[C@@]2(CO1)CN(Cc1ccncc1)CCO2 2056226685 XSGRYGPYDBPKLI-AEFFLSMTSA-N 358.398 0.746 0 40 FCAB Cc1ccc(Cn2c(N3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 1516664 VZEUXEGDABKRIT-UHFFFAOYSA-N 355.398 0.617 0 40 FCAB biogenic Cn1c(=O)oc2cc(S(=O)(=O)NCCCN3CCCC3=O)ccc21 2358671 BOOAPXLCSCPHEY-UHFFFAOYSA-N 353.400 0.422 0 40 FCAB CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]1Oc1c[nH]c2cc(Cl)ccc12 2539046 BPAUSWAPDXGBCS-QXKUPLGCSA-N 370.789 0.144 0 40 FCAB Cc1cccc(Cn2c(SCC(=O)O)nc3c2c(=O)[nH]c(=O)n3C)c1 4730399 ZUTMKYXRYLIFRO-UHFFFAOYSA-N 360.395 0.957 0 40 FCAB CC(=O)NCCNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 6601981 RYLNWHWEGUJHEI-UHFFFAOYSA-N 372.402 0.930 0 40 FCAB CC(=O)N[C@H]1[C@H](Oc2c[nH]c3cc(Cl)ccc23)O[C@H](CO)[C@@H](O)[C@@H]1O 15020147 BPAUSWAPDXGBCS-OXGONZEZSA-N 370.789 0.144 0 40 FCAB in-vitro C[C@@H]1Cc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O 17637220 OMVDCQYRILOTKX-MFKMUULPSA-N 372.468 0.314 0 40 FCAB COc1ccc(N2C[C@@H](NC(=O)NCCN3CCOCC3)CC2=O)cc1 22664479 WECXGTJVAAFVDG-AWEZNQCLSA-N 362.430 0.432 0 40 FCAB COC(=O)[C@H](C)N(C(=O)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 32641291 RRILABOJLBEAGA-GXTWGEPZSA-N 369.439 0.815 0 40 FCAB CN(Cc1ccccc1)C(=O)CN1CCN(C(=O)C(=O)NC2CC2)CC1 40120729 BNYMCLZVYWFRJX-UHFFFAOYSA-N 358.442 0.068 0 40 FCAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)on2)C1 48332770 NJDBNUYYAZGRPW-LBPRGKRZSA-N 350.400 0.890 0 40 FCAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(=O)n(C)c(=O)n1C 57399169 DFPVHRYULDWKJV-CYBMUJFWSA-N 354.414 0.858 0 40 FCAB C[C@@H]1CCCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 78739213 VMOGPJALMVVYGE-OAGGEKHMSA-N 358.504 0.913 0 40 FCAB CNS(=O)(=O)c1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 89395783 ILZGJPZIDONZJZ-UHFFFAOYSA-N 351.407 0.850 0 40 FCAB Cn1c(=O)n(C)c(=O)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O 96191893 KARUXZLZYROHER-UHFFFAOYSA-N 359.169 0.191 0 40 FCAB Cc1noc(C)c1C(=O)N1C[C@@H]2OCCN(c3ccnc(N(C)C)n3)[C@@H]2C1 96248878 OTDRURWFENWADF-KGLIPLIRSA-N 372.429 0.877 0 40 FCAB O=S(=O)(N1CCOCC1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220786431 IDHNYVKZCIZPPU-GFCCVEGCSA-N 356.448 0.779 0 40 FCAB O=c1[nH]c2cc(S(=O)(=O)N3CC[C@@H](Oc4cnccn4)C3)ccc2o1 225797460 BRSLHFMABCAQEB-SNVBAGLBSA-N 362.367 0.753 0 40 FCAB CCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Cl)cc1 575425228 RKNACWKVBWJOMH-NWDGAFQWSA-N 353.849 0.509 0 40 FCAB CN(C)CCN1C[C@@H](C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)CC1=O 581488895 DJRMSQIIEDQGAW-BBWFWOEESA-N 373.453 0.723 0 40 FCAB Cc1ccccc1-n1cc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)nn1 628376128 GEJUKZJOVMWBCH-QZTJIDSGSA-N 354.414 0.933 0 40 FCAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)CC[C@H]2CCCCO2)CCO1 681942803 QHLYQEBCJIHZMM-HUUCEWRRSA-N 356.419 0.496 0 40 FCAB CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cccc(=O)n1C)CCC2 1565543913 PKBQJQQWOFFWKR-UHFFFAOYSA-N 357.414 0.720 0 40 FCAB O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(=O)CCc2cncnc2)C1)N1CCCCO1 1565549035 NSFLDNQOQAYYMP-BRWVUGGUSA-N 374.441 0.969 0 40 FCAB COC[C@@H]1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](O)[C@@]3(C)[C@@H](O)[C@@H]21 2332243386 PAANHYMHGCVZRB-SALCQNMQSA-N 356.415 0.510 0 40 FCAB Cn1c(=O)c2c(SCC(=O)NCc3ccco3)ccnc2n(C)c1=O 4942197 TTXTUBQWZDZGAR-UHFFFAOYSA-N 360.395 0.634 0 40 FCAB CCOC(=O)CC[C@H](NC(=O)[C@@H]1CSC(C)(C)N1C=O)C(=O)OCC 5351234 RYYIDNPEFULJBP-RYUDHWBXSA-N 374.459 0.688 0 40 FCAB C[C@]1(NC(=O)CSc2nnc3n2CCCCC3)CCS(=O)(=O)C1 6096980 TXDMNTHCZATAOZ-AWEZNQCLSA-N 358.489 0.790 0 40 FCAB C[C@@H](CO)NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 6420460 AEJMUYKDTAMAQT-JTQLQIEISA-N 359.411 0.698 0 40 FCAB CCC(CC)NC(=O)COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 7782656 FILZAOSBFLOESI-UHFFFAOYSA-N 355.416 0.332 0 40 FCAB CCCN(C(=O)COC(=O)c1ccc(F)cc1N)[C@H]1CCS(=O)(=O)C1 10804162 JIIFZYBMZOIHIM-LBPRGKRZSA-N 372.418 0.990 0 40 FCAB O=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(N3CCOCC3)[nH]c2=O)N1 12388983 OIJDPUZQASXRAT-LBPRGKRZSA-N 369.381 0.671 0 40 FCAB O=C1C[C@@H](N2CCN(c3cnccn3)CC2)C(=O)N1Cc1ccccc1 12983547 VYTJLWMTPUBPAW-MRXNPFEDSA-N 351.410 0.926 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@H](C)O)cc1 14113943 PUNTWIZGFFIQQM-FZMZJTMJSA-N 372.443 0.369 0 40 FCAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)cc1 19809246 VIVBFACEYZXQKS-OAHLLOKOSA-N 358.398 0.474 0 40 FCAB COc1ccc(OC[C@@H](O)CN2CCN(CC(=O)NC3CC3)CC2)cc1 25300893 UBLSFYKCAZLQEC-INIZCTEOSA-N 363.458 0.331 0 40 FCAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC4(C3)OCCO4)ccc21 32643043 FDDNJQKHMMMWNB-UHFFFAOYSA-N 353.400 0.015 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CCN(CC(F)(F)F)CC2)CC1 38679308 FCHPFRIBALNQGU-UHFFFAOYSA-N 357.398 0.365 0 40 FCAB CN(CC(=O)Nc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 40071120 FOQUPDPQJVWKNF-CQSZACIVSA-N 352.460 0.739 0 40 FCAB O=S1(=O)CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 44789895 NWHUSIOONAHPMG-NSHDSACASA-N 361.441 0.561 0 40 FCAB CCCNC(=O)[C@H]1CN(S(=O)(=O)c2cnn(C)c2)c2ccccc2O1 55585051 BMPBMWKWHOPECV-OAHLLOKOSA-N 364.427 0.903 0 40 FCAB CCc1ccccc1N1C[C@@H](C(=O)N2CCS(=O)(=O)CC2)CC1=O 57888722 WQXRHZCXWLCWAA-AWEZNQCLSA-N 350.440 0.859 0 40 FCAB CS(=O)(=O)c1ccc(S(=O)(=O)NCCNC(=O)C2CCCC2)cc1 58182583 BQEOWLVBVRMUAF-UHFFFAOYSA-N 374.484 0.675 0 40 FCAB C[C@H](c1nnnn1-c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 71892579 RVWPKQYJTGZVKH-SNVBAGLBSA-N 352.358 0.019 0 40 FCAB NC(=O)[C@@H]1Cc2ccccc2CN1CCN1C(=O)NC2(CCCC2)C1=O 89865539 UHGPSTOXZWPXLC-HNNXBMFYSA-N 356.426 0.763 0 40 FCAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(S(=O)(=O)C1CC1)C2 96050337 AKVAFRNFHLFILG-INIZCTEOSA-N 350.444 0.297 0 40 FCAB COc1cc(N2CC[C@H]3OCC[C@@]3(CCNS(C)(=O)=O)C2)ncn1 96209153 WSTLXAREMDGGPT-DOMZBBRYSA-N 356.448 0.410 0 40 FCAB Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(C(=O)CC4CC4)C3)C2)cn1 96225974 BQZODQPWLPHMOD-GOSISDBHSA-N 357.414 0.949 0 40 FCAB Cn1cncc1CN1CCO[C@]2(COCCN(Cc3cccnc3)C2)C1 96229425 ISPKBWMCYOHAFV-IBGZPJMESA-N 357.458 0.919 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1ccncc1)C2 96230538 HSADKVRGXCEQJM-GOSISDBHSA-N 354.414 0.378 0 40 FCAB CN(C[C@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)CCC(=O)O 257225359 FFWOEHYHRZADOG-GOSISDBHSA-N 358.398 0.894 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)c2cn(CCOC)c3ccccc23)CCN1C 257229952 GACRALXEIUXAQG-QGZVFWFLSA-N 358.442 0.790 0 40 FCAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nccc(CNC(C)=O)n1 257231761 GIBWHOIILPWCEB-AWEZNQCLSA-N 355.464 0.836 0 40 FCAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3n[nH]c4c3CCC4)C2)ncn1 257289796 QAFHANIMBPTQBA-GOSISDBHSA-N 356.430 0.710 0 40 FCAB O=C(CCn1cnc2ccccc21)N1CC[C@](O)(CN2CCOCC2)C1 257320618 VXOXBBUIXHJGSX-IBGZPJMESA-N 358.442 0.722 0 40 FCAB Cn1cnc(S(=O)(=O)N2C[C@H]3OC[C@@H](CNc4ccccn4)[C@H]3C2)c1 306142088 WPASZJDUBDWTOO-MGPQQGTHSA-N 363.443 0.563 0 40 FCAB O=C(NC1CCCCC1)N1C[C@@H]2Oc3ncccc3S(=O)(=O)N[C@@H]2C1 514289387 JRAKHPFGXPICOZ-OLZOCXBDSA-N 366.443 0.847 0 40 FCAB biogenic,in-vitro CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1cccc2c1OCC2 643704275 OJCXMBXFQMSVDR-MRXNPFEDSA-N 354.428 0.537 0 40 FCAB COC[C@H]1CCC2(CCN(C(=O)C3CC(O)C3)CC2)N1S(C)(=O)=O 1565547328 ISGLFLFTKVFERT-ROKHWSDSSA-N 360.476 0.189 0 40 FCAB COCCNC(=O)c1cnc2n1[C@H](CNC(=O)CCc1ccc[nH]1)CC2 2055750605 JFWKRHIGZYRJTI-AWEZNQCLSA-N 359.430 0.824 0 40 FCAB O=C(c1cc[nH]c1)N1CCOC[C@]2(C1)CN(c1cncnc1)C(=O)CO2 2055750803 ZODWSUQJBIWIKB-KRWDZBQOSA-N 357.370 0.079 0 40 FCAB CN(C)CC(=O)N1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055772439 JAKVUNXCXHQRFV-AWEZNQCLSA-N 361.368 0.441 0 40 FCAB Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1=O 2620315 IOVHUKMKECNXHV-UHFFFAOYSA-N 362.411 0.817 0 40 FCAB O=c1[nH]c(O)ncc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 4303201 MKQNVHXJSXNINE-UHFFFAOYSA-N 354.363 0.126 0 40 FCAB NC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 5272738 HIZVPWMVTDMBRW-UHFFFAOYSA-N 373.390 0.959 0 40 FCAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NN1CCOCC1 5560505 YAQBGSXIXRXVEO-UHFFFAOYSA-N 358.489 0.779 0 40 FCAB O=S(=O)(CCn1cnc2ccccc21)N1CCN(c2ncccn2)CC1 10237215 YXHXPFCOGPXNHM-UHFFFAOYSA-N 372.454 0.978 0 40 FCAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)C1=COCCO1 14244997 WFSHQNFNFFNUFS-UHFFFAOYSA-N 370.383 0.240 0 40 FCAB Cn1cc(S(=O)(=O)N2CCC[C@H]2c2cccs2)c(=O)n(C)c1=O 15329287 POXCXVOEFWEDLJ-JTQLQIEISA-N 355.441 0.671 0 40 FCAB CCOc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)OC)cc1 15497808 NBFBXAYQVSQKMO-CYBMUJFWSA-N 356.400 0.138 0 40 FCAB COC(=O)[C@H](C)OC(=O)OCCOCCOC(=O)O[C@H](C)C(=O)OC 16891217 JXJWRBQXCDUWTF-AOOOYVTPSA-N 366.319 0.432 0 40 FCAB COCCn1c(=O)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c1=O 20757204 IZVFWVQHWORQPP-HNNXBMFYSA-N 356.382 0.605 0 40 FCAB biogenic CN1CCC2(CC1)NC(=O)N(CN1CCN(c3ccccn3)CC1)C2=O 23641264 RQIUKWGRQOTMKF-UHFFFAOYSA-N 358.446 0.177 0 40 FCAB CCOC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 39987733 VJKIHNGCSRMEJW-UHFFFAOYSA-N 370.427 0.327 0 40 FCAB COCc1ccccc1C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 40087940 BIUNMUXWYGJFCO-UHFFFAOYSA-N 372.381 0.437 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCO3)C1 44948037 FJRLVHORVAXKKZ-NSHDSACASA-N 355.416 0.872 0 40 FCAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cn1ccc(C(F)(F)F)n1 46398107 AZPWSDKSCRSRSS-SNVBAGLBSA-N 368.381 0.832 0 40 FCAB NC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)CCO1 65382303 STBOHAYZQHSDJV-SWLSCSKDSA-N 350.394 0.548 0 40 FCAB COc1ccc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)cc1 95357364 IYBKZSQRNHZTLV-UHFFFAOYSA-N 360.458 0.874 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 95479138 SFCKPOUVZOVQSX-UHFFFAOYSA-N 369.472 0.702 0 40 FCAB CO[C@@H]1[C@@H](C)[C@@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C12CCC2 95995783 WUNMXGNCKUNPQV-NILFDRSVSA-N 365.455 0.804 0 40 FCAB CC(=O)N1CCN(S(=O)(=O)c2cccc(-c3nc(C)no3)c2)CC1 113744647 YITLXOCFEYXNCE-UHFFFAOYSA-N 350.400 0.898 0 40 FCAB O=C(N[C@H]1CCc2ncnn2C1)[C@H](c1cccc(F)c1)N1CCOCC1 173693992 YDWGGECQRIHEQP-RDJZCZTQSA-N 359.405 0.922 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1 257339287 ZBBULVAUKXYRNH-FQEVSTJZSA-N 359.470 0.924 0 40 FCAB Cn1cccc1C(=O)N1C[C@H]2c3nn(CC4CCC4)c(=O)c(=O)n3C[C@H]2C1 306133961 NAGGNTROCDAPPG-ZIAGYGMSSA-N 369.425 0.413 0 40 FCAB CC(C)NC(=O)Cc1cn2c(n1)[C@H](C)N(c1ccc3nncn3n1)CC2 306142082 WOWDPDLFPSTYDG-LBPRGKRZSA-N 354.418 0.969 0 40 FCAB COCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 408618958 HCHRECGOFVCNOB-UHFFFAOYSA-N 355.460 0.307 0 40 FCAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCO)CC1 408713760 UEHQKMBSKVLQRX-UHFFFAOYSA-N 360.407 0.344 0 40 FCAB Cc1cc(C)c(S(=O)(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1C 575422598 MBXBGYBCNHOHAG-AWEZNQCLSA-N 361.485 0.782 0 40 FCAB CCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1cccc2cccnc12 575424965 CWDLEICJGOXYPJ-QWHCGFSZSA-N 370.452 0.403 0 40 FCAB O=C(CSCC(=O)N1CCC[C@@H](n2ccnn2)CC1)N1CCOCC1 602180414 CNARCQPRBBVFAF-CQSZACIVSA-N 367.475 0.424 0 40 FCAB CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H]1CCc3c(nnn3C)C1)CC2 654523692 ZCIRSRKLEXVIHA-RYUDHWBXSA-N 358.450 0.702 0 40 FCAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCS(=O)(=O)CCO1 1124006552 KSYVQSMNNYHYNN-JTQLQIEISA-N 374.365 0.506 0 40 FCAB COc1cccc(CN2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@@H]3C2)n1 1549161417 KVULGNAYLHXLPT-HNNXBMFYSA-N 372.425 0.718 0 40 FCAB CCn1ccc(C(=O)N2CCO[C@@]3(COCC(=O)N(C(C)C)C3)C2)n1 2037984984 UJCVQXJWWFXQPX-KRWDZBQOSA-N 350.419 0.381 0 40 FCAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)c2ccc(C)nc2)CC1 2055747292 WBXRZWCFDBDGQB-UHFFFAOYSA-N 356.430 0.956 0 40 FCAB COc1cnc(C(=O)N2C[C@@H]3OCCN(Cc4cccc(C)n4)[C@H]3C2)cn1 2056223778 AJFMNXLPRFGKQP-IRXDYDNUSA-N 369.425 0.914 0 40 FCAB CCN(Cc1ccccc1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 970793 OBJVECFWCAOUQM-UHFFFAOYSA-N 355.398 0.482 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)c2ccc(F)cc2Cl)c(=O)n(C)c1=O 3250082 NAXYIQSBLMGLRH-UHFFFAOYSA-N 369.736 0.498 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(C(C)(C)C)no2)n(C)c1=O 5117895 KAACBMIGZGSGCD-UHFFFAOYSA-N 360.374 0.358 0 40 FCAB CC1=NC(=O)CNN1C1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12 5757786 CWIUBDFVTWSGJU-UHFFFAOYSA-N 360.377 0.666 0 40 FCAB Cn1c(N)c(C(=O)CSc2ncnc3ccsc23)c(=O)n(C)c1=O 8328697 IVCUIPYPIUCYCS-UHFFFAOYSA-N 363.424 0.646 0 40 FCAB COCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCC(C)C)c(=O)n1C 8706112 SGIUKSOHIWHVCC-UHFFFAOYSA-N 362.434 0.785 0 40 FCAB CN(C)CCCNC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2)CC1 9303375 VIJCMBUNLGJPHY-UHFFFAOYSA-N 374.485 0.723 0 40 FCAB COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(F)cc3)nnc12 10969833 KOHQELUQFXZKAP-UHFFFAOYSA-N 372.360 0.534 0 40 FCAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(C(N)=O)CC1)C2=O 12791399 OVZTXRYEJSEGKM-PIGZYNQJSA-N 350.419 0.211 0 40 FCAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 14244432 VAKREKCSYDJFIB-WCQYABFASA-N 355.412 0.973 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1cc2c(cc1Cl)OCCCO2 15590173 ZABZKPGLLSYXTQ-UHFFFAOYSA-N 351.746 0.990 0 40 FCAB CC(C)NC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 19448653 CLXSJPYPIQZRCX-SGTLLEGYSA-N 359.430 0.859 0 40 FCAB Cc1ccc(C)c(N(CC(=O)N2CCOCC2)S(=O)(=O)N(C)C)c1 20244556 BGUAJRJUYUJEBE-UHFFFAOYSA-N 355.460 0.775 0 40 FCAB COC(=O)c1nnsc1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 20736751 DWZZKAOJNJPRBK-MRVPVSSYSA-N 350.356 0.905 0 40 FCAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCCN3CCOCC3)cc21 22908566 DWMJNJSZGSSMFJ-UHFFFAOYSA-N 374.441 0.373 0 40 FCAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)C[C@@H](C)O1 40081040 AMUOSCIZGUFJEU-OKILXGFUSA-N 368.459 0.193 0 40 FCAB Cc1cc(Br)c(S(=O)(=O)NC(CO)(CO)CO)cc1C 54363406 ZOUQPCMYDQXALP-UHFFFAOYSA-N 368.249 0.060 0 40 FCAB COCCNC(=O)CN(C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 57315394 UJTLTWDTABYTFM-UHFFFAOYSA-N 350.444 0.668 0 40 FCAB CC(C)c1nnc(NC(=O)Cn2nc(N3CCOCC3)ccc2=O)s1 61718525 MARWDRQVDMVJKR-UHFFFAOYSA-N 364.431 0.694 0 40 FCAB CCN(CC)CCN(C(=O)c1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 89968983 CSSVSDZOSLBNOA-AWEZNQCLSA-N 356.492 0.700 0 40 FCAB CCN(CCNC(=O)c1cn(CCO)c(=O)[nH]c1=O)c1cccc(C)c1 95408525 WKQCMXQXEURICE-UHFFFAOYSA-N 360.414 0.094 0 40 FCAB CCOC(=O)CN(C(=O)COC(=O)[C@H]1COCCN1C)c1ccccc1 95942950 FFVQFTKBMLOWRN-OAHLLOKOSA-N 364.398 0.457 0 40 FCAB O=C(c1nc[nH]n1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2 96078208 XLIILLGRMWZSNM-UHFFFAOYSA-N 356.430 0.955 0 40 FCAB O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc2c(c1)OCCO2 96301184 NQZQAOUGQQPRLL-CQSZACIVSA-N 374.393 0.929 0 40 FCAB CN1C(=O)[C@H](NC(=O)C(=O)NCC(C)(C)N2CCOCC2)c2ccccc21 101685278 MUSFYUDGBGTTKM-OAHLLOKOSA-N 374.441 0.047 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cnc(-c3ccnn3C)cn2)C1 257296558 RDILDFYNINDWGN-GFCCVEGCSA-N 350.448 0.548 0 40 FCAB CC1(C)[C@H]2O[C@H]2[C@H]2[C@@]1(O)[C@@H](O)C[C@]13C[C@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@@H]3O 257575378 VUMZHZYKXUYIHM-JZMFHPBMSA-N 368.470 0.185 0 40 FCAB biogenic CCN1C(=O)C[C@H](C(=O)NCCn2cc(C)cn2)[C@H]1c1cnn(C)c1C 668868157 IWWTXMWWOGBAOI-YOEHRIQHSA-N 358.446 0.959 0 40 FCAB Cn1nccc1C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2OCC(=O)NC[C@H]21 2037984730 LTCSFWGXKWTKCE-FRFSOERESA-N 358.373 0.682 0 40 FCAB CC(=O)[C@H](C)n1c(CN2CCC[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4170358 GTSHADYHXAWHIO-RYUDHWBXSA-N 361.446 0.816 0 40 FCAB CC1CCN(C(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)CC1 4942162 CQDNIKVEAFCJIL-UHFFFAOYSA-N 362.455 0.983 0 40 FCAB CN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 5400129 JRUFEZFRUNWCDX-ZDUSSCGKSA-N 364.423 0.899 0 40 FCAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1 6757212 DMCWMAUYQHPOIX-LBPRGKRZSA-N 374.422 0.839 0 40 FCAB COc1ccc(NC(=O)CNC(C)C)cc1S(=O)(=O)N1CCOCC1 7141219 YXVKVSVZRZZOAL-UHFFFAOYSA-N 371.459 0.653 0 40 FCAB COc1ccc(CCNS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1OC 8024729 JBERXZHZJLJAHU-LBPRGKRZSA-N 363.457 0.353 0 40 FCAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(c2ncccn2)CC1 8425273 UCOXEIVFATWBPP-UHFFFAOYSA-N 350.382 0.604 0 40 FCAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)Cn1cnnn1)c1ccccc1O2 12326329 ANLNBHYSKHDXPW-KBXCAEBGSA-N 370.413 0.694 0 40 FCAB Cn1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 12647565 QHRBSDBAYFRLDY-UHFFFAOYSA-N 363.317 0.904 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C(=O)O)[C@@H](C)O 14120423 XSSYFZZDGSORJF-RISCZKNCSA-N 370.427 0.343 0 40 FCAB COCCc1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 15327691 VKSPPQYCZCUVLW-UHFFFAOYSA-N 354.384 0.041 0 40 FCAB CN(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCOCC2)cn1 25118444 YXTRQFUEQSWCPE-ZDUSSCGKSA-N 350.444 0.522 0 40 FCAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1nnc2ccccn12 30672891 ZGQWTGXRABQDSS-UHFFFAOYSA-N 350.338 0.049 0 40 FCAB CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 31612455 BWBJFZWNDVCKSH-SECBINFHSA-N 351.833 0.660 0 40 FCAB CCN1CCN(c2ccc3nnc(CCC(=O)N4CCOCC4)n3n2)CC1 31808899 ZUNJASZYEAMHEL-UHFFFAOYSA-N 373.461 0.058 0 40 FCAB CSc1ncc(Cl)c(C(=O)NCCC(=O)NCCCC(=O)O)n1 41156223 DVVRXFKSTMCGIL-UHFFFAOYSA-N 360.823 0.953 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)N1 48264115 BMSSSWPELIGCHS-UHFFFAOYSA-N 359.386 0.065 0 40 FCAB NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CCO1 51164142 XINHBQUFEYLDHK-JTQLQIEISA-N 354.306 0.460 0 40 FCAB CCN1CCN2c3ccc(N)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 57121009 DJCRTIDZDOQNBS-HNNXBMFYSA-N 371.441 0.372 0 40 FCAB CCNC(=O)[C@@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)CC)CC2)C1 57990689 HHJYDOURWLHNLU-CYBMUJFWSA-N 374.507 0.358 0 40 FCAB COc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc2c1OCCO2 58336959 HPXSAKCMOXHXOO-UHFFFAOYSA-N 356.400 0.184 0 40 FCAB CNC(=O)CN1CCN(C(=O)c2c3c(nc4ccccc24)CCC3)CC1=O 75328482 CKASXAVNGIPMRN-UHFFFAOYSA-N 366.421 0.754 0 40 FCAB COc1ncccc1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 95998911 RGSMWLYDLLLLMU-ZDUSSCGKSA-N 369.443 0.357 0 40 FCAB COC(=O)CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 95999925 PLUQATVAQGEBEL-AWEZNQCLSA-N 354.428 0.726 0 40 FCAB C[C@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1S(C)(=O)=O 96109819 MNQZEOMOAAUZNU-LBPRGKRZSA-N 356.448 0.358 0 40 FCAB Cc1cccc(OC[C@@]2(CNC(=O)c3cnccn3)C[C@H](O)[C@H](O)C2)n1 107430236 XRKZXMINGSKAPK-JLVBRIDZSA-N 358.398 0.491 0 40 FCAB biogenic,in-vitro C[C@@H]1Oc2ccc(S(=O)(=O)NCC(=O)N3CCCCC3)cc2NC1=O 227168435 MRKFMKRTMYNXFF-NSHDSACASA-N 367.427 0.697 0 40 FCAB CN(C(=O)c1cnn2cccnc12)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257207900 BJVMKPGXZKSNTH-BZUAXINKSA-N 359.430 0.416 0 40 FCAB O=C(NC[C@@]1(O)COCCN(Cc2cccc(O)c2)C1)c1cnccn1 257312865 UPWUULGLONTPCF-SFHVURJKSA-N 358.398 0.176 0 40 FCAB O=C(c1ccc[nH]1)N1CCOC[C@]2(CC[C@H](Cn3ncccc3=O)O2)C1 306133668 MSKRQJOYPBBCGI-KDOFPFPSSA-N 358.398 0.662 0 40 FCAB NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cnn3ccncc23)c1 509975672 XQERIQGVCLRFTM-UHFFFAOYSA-N 367.369 0.979 0 40 FCAB Cc1nonc1NC(=O)CN1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585276529 BCZVBKYPNSRAKZ-KRWDZBQOSA-N 364.377 0.762 0 40 FCAB CNC(=O)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 643695322 LQKHXLRTWKYDRS-INIZCTEOSA-N 354.428 0.273 0 40 FCAB CC(C)(C)n1nnc(CNC(=O)NCCN2C[C@@H]3CCCCN3C2=O)n1 661361614 KEIYXJASGQKKIP-LBPRGKRZSA-N 364.454 0.517 0 40 FCAB CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3nc(C)cc3C)[C@H]2O)CC1 952844738 HYJQBKKNFUHFEH-HSFUPAIVSA-N 364.446 0.126 0 40 FCAB biogenic,in-vitro Cc1nc(CN2C[C@H]3CN(C(=O)CCS(C)(=O)=O)C[C@@H]3C2)cs1 1565542564 OJKLNLGZGQMLSL-STQMWFEESA-N 357.501 0.776 0 40 FCAB COCCN(CCOC)C(=O)CCNS(=O)(=O)c1ccc(C)cc1 3323858 DFZPFBNWGDGBCE-UHFFFAOYSA-N 358.460 0.785 0 40 FCAB CC(=O)Cn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O 4249245 INOYCOSWCWLKIQ-UHFFFAOYSA-N 367.409 0.896 0 40 FCAB COc1cccc(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)c1 4938047 RAGJVWQRXFCFLM-UHFFFAOYSA-N 366.443 0.864 0 40 FCAB CS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 6875846 SZFHWQIMEZVHNW-UHFFFAOYSA-N 354.409 0.990 0 40 FCAB Cc1cc(=O)n2c(n1)NC(N1CCN(CCO)CC1)=N[C@@H]2c1ccccc1 9289448 FXDWGPATBRLDRA-KRWDZBQOSA-N 368.441 0.490 0 40 FCAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)C1CC1)CC2 10705334 BOHKWBSHVDBLQL-UHFFFAOYSA-N 368.455 0.918 0 40 FCAB COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(CCN2CCCC2)C3)ccc1O 12113451 MJKXXIGEVLZTLP-KRWDZBQOSA-N 372.425 0.947 0 40 FCAB O=C(O)CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCc1ccccc1 12137016 HSYZRWPDWZHHHX-CQSZACIVSA-N 362.382 0.702 0 40 FCAB in-vitro CCN(CC)C(=S)SC[C@H](CN1C(=O)CCC1=O)S(C)(=O)=O 12858683 RXQABUPEJADGNB-JTQLQIEISA-N 366.530 0.909 0 40 FCAB COc1ccc(OCCN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 22932889 QYXWDPLLQNXNAA-OAHLLOKOSA-N 354.472 0.879 0 40 FCAB C[C@]1(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)CCS(=O)(=O)C1 23057524 ABXRPGRDTPOBQE-WBVHZDCISA-N 370.446 0.892 0 40 FCAB CNS(=O)(=O)c1cccc(CN2C(=O)[C@@H](CCSC)NC2=S)c1 30920040 CHTPEJVPJQHCON-GFCCVEGCSA-N 373.525 0.933 0 40 FCAB CCN1CCC[C@H]1CNC(=O)c1nc(COc2ccccc2C(N)=O)no1 40267704 WRVQZLLFDABGTD-LBPRGKRZSA-N 373.413 0.962 0 40 FCAB CCOC(=O)[C@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 58441273 HJRYBSMLASLNHS-CQSZACIVSA-N 369.443 0.646 0 40 FCAB CCOC(=O)NCC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 62587227 BIUGQINGIAZASU-UHFFFAOYSA-N 362.430 0.588 0 40 FCAB Cc1ccc(CC(=O)N2CCN(c3ncccc3S(N)(=O)=O)CC2)cc1 79037735 ALEJYOOEGADJBT-UHFFFAOYSA-N 374.466 0.929 0 40 FCAB COC(=O)c1ccccc1OS(=O)(=O)N1CCC2(CC1)OCCO2 89407001 QHRHCHJKDHSFDH-UHFFFAOYSA-N 357.384 0.936 0 40 FCAB CS(=O)(=O)N1CC[C@]2(CCC[C@H](CNC(=O)c3cscn3)O2)C1 96206606 WNXIYHAHWKVFPD-BXUZGUMPSA-N 359.473 0.846 0 40 FCAB Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCN(c3ncccn3)CC1)CC2 225741233 GFGJTYHFBVQKLX-ZDUSSCGKSA-N 354.414 0.024 0 40 FCAB CC(=O)N1CCC(O)(CN2CCO[C@H](c3cc(O)nc(C)n3)C2)CC1 257302553 SDIYKAQQJXIXSB-HNNXBMFYSA-N 350.419 0.237 0 40 FCAB CNc1cnc(C[C@@H]2CCCN(C(=O)CNS(C)(=O)=O)CC2)cn1 257313499 USVAHGYEWXAYGV-GFCCVEGCSA-N 355.464 0.239 0 40 FCAB Cc1cc(N2CCC(NC(=O)c3ccc4nnnn4c3)CC2)nc(C)n1 532080892 JIWQZAGNFQQBMW-UHFFFAOYSA-N 352.402 0.930 0 40 FCAB NCCn1cc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)nn1 662506800 FWBCYVITKDYWMS-CQSZACIVSA-N 352.402 0.999 0 40 FCAB CN(C)S(=O)(=O)N1Cc2nnn(CC3CC3)c2[C@@H](COCC2CC2)C1 2055750532 AUWGYTVVMAQGNC-CQSZACIVSA-N 369.491 0.820 0 40 FCAB O=C(c1ncccn1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055773019 KYDAPFIFCWNZCK-UHFFFAOYSA-N 354.414 0.831 0 40 FCAB CCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 4815324 XFSVGHCOGOSBER-GFCCVEGCSA-N 374.459 0.913 0 40 FCAB CCOC(=O)CC[C@@H](NC(=O)[C@H]1CSC(C)(C)N1C=O)C(=O)OCC 5351242 RYYIDNPEFULJBP-VXGBXAGGSA-N 374.459 0.688 0 40 FCAB C[C@H](O)CNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6719666 GARBMSZNSYKFKG-ZETCQYMHSA-N 355.416 0.134 0 40 FCAB CCOC(=O)[C@H](N)CS[C@@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 18116120 VMPLTHDIFQEJFQ-VXGBXAGGSA-N 366.395 0.640 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 21326426 SLBZRRKPDAABDW-GFCCVEGCSA-N 374.397 0.791 0 40 FCAB COCCCNC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209417 ASHRBMQPFQYZII-AWEZNQCLSA-N 354.428 0.827 0 40 FCAB CN1C(=O)N[C@H](c2cccs2)C2=C1CN(CCN1CCOCC1)C2=O 35474829 NPJUJYUPOJCMQG-OAHLLOKOSA-N 362.455 0.873 0 40 FCAB CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccnc(-n3cccn3)c2)C1 40092350 NGLPJGMJJVJPGL-AWEZNQCLSA-N 363.443 0.555 0 40 FCAB CCOC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2)CC1 41250832 YALZLRFFCSNGGD-ZDUSSCGKSA-N 369.443 0.654 0 40 FCAB CS(=O)(=O)N[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 42108462 YIDGRTHEUMZMTK-QMMMGPOBSA-N 364.353 0.661 0 40 FCAB NS(=O)(=O)c1cnn(CCC(=O)Nc2ccc3c(c2)OCCO3)c1 58151818 LAOVHPJZBJFBLZ-UHFFFAOYSA-N 352.372 0.331 0 40 FCAB O=C(CCNC(=O)[C@@H]1CCCN(c2ncccn2)C1)NCc1cccnc1 58172156 DPBLHLVJIRGVLG-MRXNPFEDSA-N 368.441 0.911 0 40 FCAB CCn1cc([C@H]2C[C@H](C(=O)NCC(C)C)N(C)S(=O)(=O)N2)c(C)n1 72335026 FYCINRZHNAGUDG-ZIAGYGMSSA-N 357.480 0.563 0 40 FCAB CCN(C(=O)[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 78062254 LWTIOHAEMYSEDG-DLBZAZTESA-N 366.483 0.923 0 40 FCAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95476810 MNVDTNIHXCKMST-MNOVXSKESA-N 362.411 0.219 0 40 FCAB COCCOC[C@@]1(CNC(=O)c2ccc(OC)cc2)C[C@H](O)[C@H](O)C1 107283942 NWTKMODEYSXCJD-ALXJQNPVSA-N 353.415 0.590 0 40 FCAB biogenic,in-vitro CCOc1ccc(OC[C@@H](O)CN2CCNC(=O)[C@H]2CC(=O)OC)cc1 245284708 UEEZDBNVQXGXJK-XJKSGUPXSA-N 366.414 0.189 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2cnc(-c3cnn(C)c3)cn2)C1 257271813 MZWVPDNXVSRMKX-CYBMUJFWSA-N 364.475 0.938 0 40 FCAB O=C(NCc1nc(C2CCOCC2)no1)c1cccc(-n2cnnn2)c1 575618165 SUXXUXHNDMCBMH-UHFFFAOYSA-N 355.358 0.869 0 40 FCAB Cn1cc(C2=CCCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)cn1 636163198 CILWQAXBRUOGJG-OAHLLOKOSA-N 352.460 0.850 0 40 FCAB Cn1c(N2CCC[C@@H]2C(=O)NCc2ccco2)nc2c1c(O)nc(=O)n2C 682390467 OVZROGGMFKTTSI-LLVKDONJSA-N 372.385 0.251 0 40 FCAB Cn1c(=O)c2c(SCC(=O)O)nc(-c3ccccc3)nc2n(C)c1=O 4139112 QVTYBKUNPGIKEA-UHFFFAOYSA-N 358.379 0.871 0 40 FCAB CCOC(=O)CNC(=O)CSc1nnnn1-c1ccc(OC)cc1 4168773 MDYVVHWLMXILEX-UHFFFAOYSA-N 351.388 0.442 0 40 FCAB CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1CCCO 5040367 FAYVZDWZRYWQLB-UHFFFAOYSA-N 350.400 0.327 0 40 FCAB CN(C(=O)COC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 6169341 QZOWMIRLXATCDE-FZMZJTMJSA-N 369.395 0.015 0 40 FCAB COCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 7881217 LXELHFFSAGQGTA-UHFFFAOYSA-N 358.416 0.092 0 40 FCAB COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cnc(C)cn3)C2=O)c1 8735084 BTMAYMSSFDBLFL-QGZVFWFLSA-N 355.354 0.906 0 40 FCAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)NCc1ccco1 8848710 GRHQNACQGUVXIU-UHFFFAOYSA-N 367.365 0.466 0 40 FCAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccccn2)C1=O 11077452 GULDAHSHGLZBQV-GOSISDBHSA-N 368.349 0.737 0 40 FCAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCCN(C)C)c3=O)cc1 12234067 VMWAHBVWRWJABL-UHFFFAOYSA-N 372.429 0.480 0 40 FCAB COc1ccc(CN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 16354910 MZJSAYSRDLMUHW-AWEZNQCLSA-N 352.456 0.963 0 40 FCAB CCN(CC)S(=O)(=O)N(C)Cc1cc(NC)nc([C@@H]2CCCN2)n1 19760718 CHWZJWTVWJJBQK-ZDUSSCGKSA-N 356.496 0.961 0 40 FCAB CCCCNC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 22023982 LUYJMHRUBOPSGG-UHFFFAOYSA-N 370.475 0.441 0 40 FCAB CC(=O)Nc1ccccc1OCC(=O)N1CCN(S(C)(=O)=O)CC1 24227558 VTKVVAWTRQIZDA-UHFFFAOYSA-N 355.416 0.128 0 40 FCAB CS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2OC(F)F)CC1 24507975 JGUVTDPTFXADMB-UHFFFAOYSA-N 363.386 0.804 0 40 FCAB Cc1nn(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1Br 27969225 WSOIXHALZAEKMT-SNVBAGLBSA-N 364.265 0.956 0 40 FCAB CCN1CCC[C@H]1CNC(=O)c1nc(CC(=O)Nc2cc(C)on2)no1 40286929 DXRPQUOFBRAAOE-NSHDSACASA-N 362.390 0.761 0 40 FCAB Cn1ncc2c(N3CCN(CC(=O)NCc4ccco4)CC3)ncnc21 48278447 AULWDBNHLCJZNZ-UHFFFAOYSA-N 355.402 0.395 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2cccc(Nc3ncccn3)c2)CC1 48292842 VDHYWPZEXSZCKS-UHFFFAOYSA-N 361.427 0.938 0 40 FCAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N1CCN(CCO)CC1 54360914 OWAKJYJPQJQIPE-RAXLEYEMSA-N 365.411 0.452 0 40 FCAB CN1CCN(c2ncc3c(=O)n(-c4cccc(F)c4)c(O)nc3n2)CC1 67264297 BNOMDGAFNAQEAW-UHFFFAOYSA-N 356.361 0.772 0 40 FCAB O=C(C[C@@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc(F)cc1 71283606 GNUHWVRPHIMJFK-ZDUSSCGKSA-N 353.394 0.465 0 40 FCAB CCS(=O)(=O)N1CCC2(CC1)CN(Cc1cccc(C)n1)C(=O)CO2 96062186 KKOKXCYFASZHDN-UHFFFAOYSA-N 367.471 0.933 0 40 FCAB CCOC(=O)/C=C1/SCC(=O)N1CCSc1n[nH]c(=O)n1C1CC1 102883808 QMUXBEDJWPSBCP-YRNVUSSQSA-N 370.456 0.978 0 40 FCAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCNS(C)(=O)=O)n1 248069131 FTZAXIJCJDFMIJ-CYBMUJFWSA-N 353.444 0.560 0 40 FCAB CC/C=C\C[C@@H]1[C@H](CC(=O)O)CC[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253529561 GJZJZRWFRZFTEE-MVLOAYLPSA-N 374.430 0.029 0 40 FCAB biogenic,in-vitro CC(=O)N1CC[C@H](c2ncc(CNC(=O)c3cnn4cccnc34)[nH]2)C1 257254945 KFKGUHYKDMRFJX-LBPRGKRZSA-N 353.386 0.718 0 40 FCAB O=C(Cn1cc(Cl)cn1)NC[C@@]1(O)CCCN(c2ncccn2)C1 257339842 ZDLGGVDZEBUMDR-HNNXBMFYSA-N 350.810 0.474 0 40 FCAB CNC(=O)c1ccc(CS(=O)(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cc1 289125682 KWVVDJSLWHEROQ-ZIAGYGMSSA-N 369.487 0.263 0 40 FCAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)[C@@H]2C[C@@H]2C)C3)n1 306134108 NDRFZQHXNNABTM-FPMFFAJLSA-N 365.455 0.836 0 40 FCAB CCS[C@@H]1CCC[C@@H]1NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 530891638 PFRBIISFEJIPSF-LXAZIXBXSA-N 352.456 0.939 0 40 FCAB C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)c1cnccn1 585096337 IXUJCSJNVNRNFR-LBPRGKRZSA-N 354.414 0.959 0 40 FCAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2ccccc2)C1 585291837 UBDPIBUMVJHUGW-MSOLQXFVSA-N 362.451 0.573 0 40 FCAB CCCS(=O)(=O)N1CCC[C@@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771578 JTHINPDNPZJCCK-MRXNPFEDSA-N 354.476 0.940 0 40 FCAB Cc1cc(N)nc(SCC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)n1 8720763 GIXDBFPELSWLGU-NSHDSACASA-N 356.473 0.637 0 40 FCAB C[C@H]1CN(CC(=O)N2CCc3nc([C@H]4CCCNC4)ncc3C2)C[C@@H](C)O1 19497428 VLWVMHRSGCAWJL-XHSDSOJGSA-N 373.501 0.938 0 40 FCAB CC(=O)N[C@@]12CNCC[C@@H]1CN(S(=O)(=O)c1ccc(C)c(F)c1)C2 19713581 HPVHEQZGWWMXPS-CZUORRHYSA-N 355.435 0.623 0 40 FCAB O=C(NCCN1CCOCC1)c1cccc(N2CCCCS2(=O)=O)c1 19819690 CAIGFLJHPMVHER-UHFFFAOYSA-N 367.471 0.679 0 40 FCAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1cccnc1 20729241 CVCVCBFZWYWLEH-UHFFFAOYSA-N 365.393 0.725 0 40 FCAB COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)NC3CC3)c(=O)c2cc1OC 20762688 KNWDGEJUQHAKSI-JTQLQIEISA-N 374.397 0.197 0 40 FCAB biogenic CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccn1 36367004 LQTQAFBOIPHPDD-YPMHNXCESA-N 354.432 0.531 0 40 FCAB O=C(NCCc1cn2ccccc2n1)c1cnc2nc(O)[nH]c(=O)c2c1 40119059 APXSZAONDWKEPO-UHFFFAOYSA-N 350.338 0.644 0 40 FCAB COc1cc(NC(=O)C(=O)NC2CC2)ccc1N1CCCCS1(=O)=O 40288522 NHSVWNNPOPBAGB-UHFFFAOYSA-N 367.427 0.842 0 40 FCAB Cn1cc(-c2nc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cs2)cn1 45037486 HDIZADHCYXOKKC-UHFFFAOYSA-N 360.399 0.358 0 40 FCAB CCCNC(=O)CN(CCC)C(=O)C1=NN(c2ccccc2)C(=O)CN1 54327678 OAZKZGOVAXKNSD-UHFFFAOYSA-N 359.430 0.701 0 40 FCAB COC(=O)c1ccc(C)c(NC(=O)N2CCCN(S(N)(=O)=O)CC2)c1 95459461 BZRRXCFEHYLEFI-UHFFFAOYSA-N 370.431 0.525 0 40 FCAB Cn1cccc1C(=O)NCc1cnc2n1CCN(C(=O)C1CCOCC1)C2 96061973 RXGIYUMRFUSCRV-UHFFFAOYSA-N 371.441 0.920 0 40 FCAB O=c1[nH]cc(S(=O)(=O)NCCSCc2ccccc2F)c(=O)[nH]1 96870202 BIZUMZYZSHSQRV-UHFFFAOYSA-N 359.404 0.414 0 40 FCAB CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccccc2C)C1=O)C(=O)O 100855676 PFOXNKHGCBRNOT-AAEUAGOBSA-N 350.396 0.949 0 40 FCAB CC(C)NC(=O)C1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 223205643 GAGSIFOYOVECRL-UHFFFAOYSA-N 356.430 0.968 0 40 FCAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C(C)C)C3)C2=O)cc1 225384130 NZBYJINSDZQPPF-WBVHZDCISA-N 373.453 0.462 0 40 FCAB biogenic,in-vitro Cn1cnc(S(=O)(=O)N2CCCN(C(=O)OCC(F)(F)F)CC2)c1 238929429 UYHWQLFXCSEIQM-UHFFFAOYSA-N 370.353 0.815 0 40 FCAB COC[C@@H]1CN(CCc2ccccc2)CCN(S(=O)(=O)N(C)C)C1 247967370 SXQAENCUSMLIHO-QGZVFWFLSA-N 355.504 0.916 0 40 FCAB Cc1cn([C@H]2CCN(C(=O)c3cccnc3C)C[C@]2(C)O)c(=O)nc1O 257204536 AVBLRPDMQGJZRY-KSSFIOAISA-N 358.398 0.799 0 40 FCAB O=C(NC[C@]1(O)COCCN(Cc2cccc(O)c2)C1)c1cscn1 257212145 CCCQUIUSOPOOMR-QGZVFWFLSA-N 363.439 0.842 0 40 FCAB NC(=O)c1ncn(C2CCN(c3ncnc4c3ncn4C3CC3)CC2)c1N 292802782 RKDFLFYHUQNHGD-UHFFFAOYSA-N 367.417 0.880 0 40 FCAB CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2ccccc2)C(=O)C1 330918485 NEXMTIYRWFDURV-OAHLLOKOSA-N 367.471 0.826 0 40 FCAB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)no1 408654283 GDMZNOPLIHLHET-LYEQHPFYSA-N 373.365 0.660 0 40 FCAB Cc1ccc(N2CCN(C(=O)Cn3nc(C4CC4)ccc3=O)CC2)nn1 575609298 VHOLPCYZBIQSKF-UHFFFAOYSA-N 354.414 0.568 0 40 FCAB Cc1cc(C(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)n(C)n1 585322626 WJMOWKFUESUBTB-UHFFFAOYSA-N 351.432 0.541 0 40 FCAB C[C@](O)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)Cc1ccsc1 618255764 YSXGLNKFGCRWMJ-OAHLLOKOSA-N 360.501 0.829 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1ccc(COC)cc1 643703969 HKQRBQXHAFQMTG-MRXNPFEDSA-N 356.444 0.749 0 40 FCAB O=C([C@@H]1CCOC1)N1CCOC[C@]2(C1)CN(c1cccnc1)C(=O)CO2 1565554351 YHFCZTZGNKPTQB-KDOFPFPSSA-N 361.398 0.079 0 40 FCAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1848823722 BBXMVSQOBMLWJD-UHFFFAOYSA-N 365.821 0.706 0 40 FCAB c1cc(N2CCOCC2)nc(N2CCN(c3nccn4nccc34)CC2)n1 1889149150 ISSBBQXDGYOYRS-UHFFFAOYSA-N 366.429 0.683 0 40 FCAB Cc1ccc(NS(=O)(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1Cl 4339473 IKZYACWEFBHSCK-UHFFFAOYSA-N 358.807 0.429 0 40 FCAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCO)C2)c1 5008461 FBZOAWKRFQAYQR-LBPRGKRZSA-N 372.443 0.213 0 40 FCAB CSc1ncccc1C(=O)OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 6625513 ZFMFSBIZXBEXOO-JTQLQIEISA-N 358.441 0.606 0 40 FCAB CCCNC(=O)NC(=O)CSc1nnc(N2CCOCC2)n1C1CC1 11368441 DWIABICZZLQBSV-UHFFFAOYSA-N 368.463 0.778 0 40 FCAB CN(CCS(=O)(=O)CCC(N)=O)Cc1cnn(-c2ccccc2)c1 15571362 HWJQMLKYBWMVGI-UHFFFAOYSA-N 350.444 0.594 0 40 FCAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1 19716018 RPFYTESFTSKYKO-ZDUSSCGKSA-N 365.411 0.988 0 40 FCAB O=C(c1ccc[nH]c1=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 22882461 UJFCASXORWTCGB-UHFFFAOYSA-N 368.459 0.254 0 40 FCAB CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cn(CC(N)=O)c2ccccc12 36743635 GZTOEBGDVGAPNG-MRXNPFEDSA-N 372.425 0.380 0 40 FCAB COCCCNC(=O)CN1CCN(Cc2cn3cccc(C)c3n2)CC1 40002660 JTVRERRUEIYEKO-UHFFFAOYSA-N 359.474 0.913 0 40 FCAB COC(=O)CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058333 ZAPPLKRCEAMOEI-CYBMUJFWSA-N 358.391 0.658 0 40 FCAB CC(=O)NC1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 50418632 BIEYXGOREZKQHI-UHFFFAOYSA-N 353.444 0.678 0 40 FCAB CC(C)C(=O)N1CCN(c2ccc(N3C[C@H](C(N)=O)CC3=O)cc2)CC1 57354590 HSRCZDBXJPWAOQ-CQSZACIVSA-N 358.442 0.829 0 40 FCAB Cc1noc(C)c1CC(=O)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 58203285 AJUHWFOPXJLPOR-UHFFFAOYSA-N 371.353 0.531 0 40 FCAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)NC1CCCC1 72348083 LIRXXZSRPIRWGU-UHFFFAOYSA-N 352.398 0.673 0 40 FCAB CC(C)[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)N1CCOCC1 79104501 GNKVSXFQKOAVIW-AWEZNQCLSA-N 358.398 0.536 0 40 FCAB CCCCOc1ccc(C(=O)NCC(=O)N[C@@H](CO)C(=O)OC)cc1 95955465 ZBMYFKUGMIJVMH-AWEZNQCLSA-N 352.387 0.245 0 40 FCAB O=C(CO[C@H]1CO[C@@]2(CCN(c3ncc(F)cn3)C2)C1)N1CCCC1 96107751 VWZZFAMGHGMENX-PBHICJAKSA-N 350.394 0.993 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1 96244138 XVOWWCUDRYETCL-MRXNPFEDSA-N 367.475 0.579 0 40 FCAB CCOC(=O)[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)CC 242538941 JIVZNEBULDJISC-IIAWOOMASA-N 355.412 0.824 0 40 FCAB O=C(CN1CCOC1=O)NCCN1Cc2cc(Cl)ccc2OCC1=O 253405860 TVWLSLJAVMARDO-UHFFFAOYSA-N 367.789 0.629 0 40 FCAB CS(=O)(=O)NCC(=O)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257273781 NIDUOFQNMFQSKV-NSHDSACASA-N 353.404 0.038 0 40 FCAB Cc1nn(C)cc1S(=O)(=O)N(C)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257283997 PAUSNMKUTLHFKL-IIAWOOMASA-N 356.492 0.727 0 40 FCAB COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1 257302015 SAZJFZDWMXKOKT-FPAYPSAMSA-N 364.442 0.155 0 40 FCAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCCn2ccnc2)cc1 408587592 BPSKZLOYWPHSJZ-CYBMUJFWSA-N 366.443 0.765 0 40 FCAB O=C1C[C@H](c2ccc(OCC(=O)N3CCOCC3)cc2)N2NC=NC2=N1 409378896 TWGMPEAPNLBUCC-CQSZACIVSA-N 357.370 0.100 0 40 FCAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)C1 582943471 RCFMBFQJBFIKAX-JCIQBVFBSA-N 370.393 0.869 0 40 FCAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(OCC(=O)O)c1 583650639 WFJVBWNPETVTRZ-CQSZACIVSA-N 370.427 0.580 0 40 FCAB CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2F)C1=O)[C@H]1CCNC1 585086649 ABJMHMNONBQIIA-WCQYABFASA-N 366.368 0.990 0 40 FCAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2cccc(OC)c2)Cc2ccnn21 585112011 KDMBSMBXJYECAH-CYBMUJFWSA-N 364.427 0.773 0 40 FCAB CNC(=O)C[C@@H]1CN(CC(=O)NCc2cccc(F)c2)CC[C@H]1OC 585275373 DGNBKKOAOMOEAF-GDBMZVCRSA-N 351.422 0.915 0 40 FCAB CC(C)CN(CC(=O)NCCc1ccccc1)[C@@H]1COC[C@@H](O)[C@H]1O 643585919 CFWWIESVJJLDHA-LMMKCTJWSA-N 350.459 0.424 0 40 FCAB O=C(O)C[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)c1ccccc1 659117555 HFTVIGRGXHNHHA-AWEZNQCLSA-N 359.386 0.901 0 40 FCAB CCN1C(=O)C[C@H](C(=O)N2CCn3cnnc3C2)[C@H]1c1cnn(C)c1C 668343768 BOIZNGBCUIZHKY-LRDDRELGSA-N 357.418 0.272 0 40 FCAB Cn1nccc1C(=O)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1ccccn1 1565541779 YLBJNLINHUQMJT-SCLBCKFNSA-N 355.398 0.472 0 40 FCAB Cc1snnc1C(=O)N1CC[C@@H]2[C@@H](CO[C@H]2CN2CCOCC2)C1 1565543287 ZBBHAEPDVYTPFI-MCIONIFRSA-N 352.460 0.656 0 40 FCAB COCCNC(=O)c1cnc2n1[C@@H](CNC(=O)C1CC(F)(F)C1)CC2 1565553070 JEYJHNBQWGLOIB-LLVKDONJSA-N 356.373 0.908 0 40 FCAB O=C([C@H]1CCOC1)N1CCOC[C@]2(C1)CN(c1cccnc1)C(=O)CO2 1565554352 YHFCZTZGNKPTQB-KSSFIOAISA-N 361.398 0.079 0 40 FCAB COCC(=O)NC1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1346025 SFUKQQVUVSNIQO-UHFFFAOYSA-N 354.428 0.805 0 40 FCAB O=C(COC(=O)CCc1c[nH]c2ccccc12)N[C@H]1CCS(=O)(=O)C1 4195250 DBSIDKMQRGUMDX-ZDUSSCGKSA-N 364.423 0.947 0 40 FCAB Cn1c(=O)c2c(SCC(=O)NC[C@@H]3CCCO3)ccnc2n(C)c1=O 4942198 HHVOKJIGNCPVRD-JTQLQIEISA-N 364.427 0.020 0 40 FCAB C[C@]1(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)CCS(=O)(=O)C1 5324911 ZSQBIFPMKIBILG-LBPRGKRZSA-N 352.334 0.561 0 40 FCAB CCOc1ccc(C(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)cc1 8231845 YDOCFSZYWIWVFO-ZDUSSCGKSA-N 368.411 0.623 0 40 FCAB CCCNC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(OC)cc1 8849286 VTJXRHZYOGWLTD-UHFFFAOYSA-N 359.386 0.092 0 40 FCAB CN(C)CCNC(=O)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 8991950 XKAFJSMIKOCXDA-UHFFFAOYSA-N 351.842 0.901 0 40 FCAB C[C@H]1CN(C(=O)CSc2nnc(CCC(N)=O)n2C2CC2)CCO1 12764356 ZHKKDJKLEYRKSI-JTQLQIEISA-N 353.448 0.370 0 40 FCAB O=C(O)CCCNC(=O)NCC1=N[C@@H]2[C@H](C=NN2c2ccccc2)C(=O)N1 13689726 HVWJCHWXPLEGOA-WFASDCNBSA-N 372.385 0.127 0 40 FCAB O=C(Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO)O1)c1ccccc1 14960222 PIXHJAPVPCVZSV-XQQFMLRXSA-N 355.354 0.719 0 40 FCAB CCOC(=O)N1CCN(C(=S)NN[C@@H](C)c2cccc[n+]2[O-])CC1 16940337 XXCZYPXPGYHKCA-LBPRGKRZSA-N 353.448 0.534 0 40 FCAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc12 24690383 DQWXCMKHKQSHNI-NSHDSACASA-N 364.427 0.467 0 40 FCAB CN(C)c1ncccc1CNC(=O)CNC(=O)c1ccc2c(c1)OCO2 32688352 RQFUEUJOJMDZQH-UHFFFAOYSA-N 356.382 0.923 0 40 FCAB CCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccccc1 39986013 BEHVUXQOPMUVLS-UHFFFAOYSA-N 369.487 0.536 0 40 FCAB O=C(NCCN1CCOCC1)C(=O)Nc1ccc(Br)cc1F 42645892 OSCMUMIQILPBRW-UHFFFAOYSA-N 374.210 0.975 0 40 FCAB COCCNC(=O)Cn1c(-c2cccc(F)c2)nc(C)c(CCO)c1=O 67316693 UFUFVESQXMPRFD-UHFFFAOYSA-N 363.389 0.655 0 40 FCAB CCOC(=O)[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)N(C)OC)c1 79096354 MGPQEWARNCLSCM-NSHDSACASA-N 358.416 0.892 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(C(=O)c1ccccn1)CCN(C(=O)N(C)C)C2 96036232 MCZOQQZMDAHNMG-IBGZPJMESA-N 373.457 0.760 0 40 FCAB CS(=O)(=O)NC[C@H]1COCc2nc3cc(S(C)(=O)=O)ccc3n21 96112572 LUKPBXCFRBPXFX-VIFPVBQESA-N 359.429 0.060 0 40 FCAB biogenic,in-vitro CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)[C@@H]1C(=O)Nc1cccnc1Cl 101775449 KFLAKVQCUJVJAK-KOLCDFICSA-N 370.818 0.695 0 40 FCAB Cn1cncc1CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 177078888 RTNIMJAXHHRCTR-UHFFFAOYSA-N 362.455 0.782 0 40 FCAB Cc1nc(-c2ccnn2C)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 257306760 SVTODWNZRVCWCX-GFCCVEGCSA-N 350.448 0.781 0 40 FCAB O=C(CN1CCN(c2cc(N3CCCC3)ncn2)CC1)N1CCOCC1 264387872 YIPIDIUJXAWPAQ-UHFFFAOYSA-N 360.462 0.058 0 40 FCAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1n[nH]c3c1CCC3)C2 306125116 CHRPIQNMBYMUKH-LLVKDONJSA-N 353.444 0.564 0 40 FCAB CCOCC(=O)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 306129946 ISAIDBBUPGEFFQ-CYBMUJFWSA-N 354.428 0.513 0 40 FCAB CCn1cc(CN2C[C@@H]3OC[C@H](CCOCC(=O)N(C)C)[C@@H]3C2)cn1 306134326 NJCSSPFJTWPXCY-ULQDDVLXSA-N 350.463 0.845 0 40 FCAB Cc1cc(CN2CCn3cc(CC(=O)N4CCOCC4)nc3[C@@H]2C)n(C)n1 306135088 OHNDWCGQWZPBTJ-HNNXBMFYSA-N 372.473 0.903 0 40 FCAB C[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CS(=O)(=O)NCc2ccccn2)C1 521397036 NRKCKXWHJDAREF-VHDGCEQUSA-N 353.444 0.384 0 40 FCAB CC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)O)C[C@@]2(CCOC2)O1 576588968 WFCWDNOGJMJPMX-MEDUHNTESA-N 370.427 0.807 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3ccc(Cl)c(F)c3)C2)C1 685941201 AKBLIFYXAXNFMH-JTQLQIEISA-N 353.781 0.898 0 40 FCAB Cn1c(O)nc(N2CCN(C(=O)COc3ccccc3F)CC2)cc1=O 1565520864 WCASTPYWTFMCAK-UHFFFAOYSA-N 362.361 0.353 0 40 FCAB COCCc1nsc(N2CCO[C@@H](C(=O)N3CCSCC3)C2)n1 1888859334 OGXVZKCWGGLIIY-LLVKDONJSA-N 358.489 0.508 0 40 FCAB O=C(NCc1ccco1)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713456 RTANJUIOBCMHAY-ZDUSSCGKSA-N 358.398 0.827 0 40 FCAB COC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(OC)c(OC)c(OC)c1 1609281 FVBARFSEWRDTNW-ZJUUUORDSA-N 368.386 0.508 0 40 FCAB O=[N+]([O-])N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1 4473014 MSJMUVBNIHKQSY-UHFFFAOYSA-N 355.420 0.570 0 40 FCAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O 5797605 UXHMSIXZSNRIKR-GOSISDBHSA-N 361.398 0.711 0 40 FCAB CCN(C(=O)COC(=O)c1cccc(OC)c1O)[C@H]1CCS(=O)(=O)C1 5972803 XZCQHOPYXJMHRW-NSHDSACASA-N 371.411 0.593 0 40 FCAB CCS(=O)(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C 10119394 LPUFODDJADCLGC-LBPRGKRZSA-N 374.484 0.808 0 40 FCAB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)on1 12803474 HZADHIPBQCDNHZ-UHFFFAOYSA-N 370.456 0.990 0 40 FCAB COCCNC(=O)c1ccccc1NC(=O)C(=O)NCCCN(C)C 13729312 LHJWHZDVXKANCN-UHFFFAOYSA-N 350.419 0.069 0 40 FCAB COCCCN(C(=O)C1CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14254798 TVDSWFXUHHJGMK-UHFFFAOYSA-N 352.435 0.944 0 40 FCAB Cc1nnc(NC(=O)CSc2nc(O)c3cnn(CCO)c3n2)s1 15881242 IQKRBYAZEBUZEL-UHFFFAOYSA-N 367.416 0.415 0 40 FCAB CCN1CCN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)CC1 19877668 FGQNDVUIVTVKRS-UHFFFAOYSA-N 355.460 0.625 0 40 FCAB COc1ccc(OC[C@@H](O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)cc1 22835391 JUTLFYDVKDKBOD-AWEZNQCLSA-N 369.381 0.888 0 40 FCAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 23111194 CBCBKWYTPSGYKY-TZMCWYRMSA-N 372.468 0.143 0 40 FCAB Cc1cccc(OCCNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 26148129 WGGUETDTXYMFSP-UHFFFAOYSA-N 370.475 0.507 0 40 FCAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35485406 PJRFPGAZODKYNO-YWDZUUCISA-N 357.410 0.586 0 40 FCAB COCCNC(=O)CN(CC(=O)NCCOC)Cc1ccc(OC)cc1 40087794 SRHDKCBUULTOSX-UHFFFAOYSA-N 367.446 0.022 0 40 FCAB Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 44456577 ONUGYGLHDYCHQJ-KGLIPLIRSA-N 350.440 0.899 0 40 FCAB CS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1 72286220 NWPZFPQRZJEBLN-AWEZNQCLSA-N 352.456 0.884 0 40 FCAB COc1cccc(NC(=O)N2CCN(C(C)=O)C[C@@]3(CNC(=O)C3)C2)c1 96143294 DEICIQPHLYSAOD-GOSISDBHSA-N 360.414 0.898 0 40 FCAB Cn1ccnc1CN1CCOC[C@@]2(C[C@H](CNc3ncccn3)CO2)C1 96240498 SHNARACYDASRPU-CRAIPNDOSA-N 358.446 0.930 0 40 FCAB C[C@H](C(=O)NCCc1ccccc1)N1CCN(CC(=O)NC2CC2)CC1 96503668 OFNVFUUVORNALE-MRXNPFEDSA-N 358.486 0.630 0 40 FCAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 101712379 LCARHFBRMFETSR-IGQOVBAYSA-N 365.455 0.480 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)Cn2c(C)cc3ccccc32)CCN1C(C)=O 257345078 ZZWQMUOEWMSTQU-KRWDZBQOSA-N 356.426 0.755 0 40 FCAB Cn1cccc1C(=O)NCC[C@@H]1CCOC12CN(C(=O)c1cnccn1)C2 306128391 GZDYNAKKGFNQQX-CQSZACIVSA-N 369.425 0.866 0 40 FCAB Cc1ncn(CC(=O)N2CC[C@H](Oc3ncc(Cl)cn3)C2)c(=O)c1C 575608479 YOAHQMOZJGHJNS-ZDUSSCGKSA-N 363.805 0.983 0 40 FCAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)Cc2ccnn21 585112290 OEJDNZLOGMWQPP-CYBMUJFWSA-N 364.427 0.773 0 40 FCAB 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369.443 0.365 0 40 FCAB NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 1578615 MOZMMGVADQTNEZ-FUHWJXTLSA-N 366.421 0.956 0 40 FCAB CCCn1c(N)c(C(=O)CSc2nnc3ccccn23)c(=O)[nH]c1=O 3346680 LCBQLLMWQWPDRS-UHFFFAOYSA-N 360.399 0.547 0 40 FCAB NC(=O)C1CCN([C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 3350332 WDJXCXPZBPZDCJ-ZDUSSCGKSA-N 359.382 0.240 0 40 FCAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O 5317304 INHBBLAAKUFQTQ-SCVCMEIPSA-N 359.423 0.761 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCO)CC1 6203925 VERGAYRDNJVUBD-UHFFFAOYSA-N 356.444 0.513 0 40 FCAB Cn1c(=O)c2c(ncn2CC(=O)OC/C=C/c2ccccc2)n(C)c1=O 6371111 SLWPKLFGNRRRIT-RMKNXTFCSA-N 354.366 0.690 0 40 FCAB Cc1nnc(CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)o1 9579905 AIFZCGMTLCPNRY-OAHLLOKOSA-N 354.330 0.321 0 40 FCAB COCCNC(=O)c1cn(C)c2c(=O)n(-c3ccc(F)cc3)c(=O)[nH]c12 9820240 WLZFUIQLKKEMBT-UHFFFAOYSA-N 360.345 0.533 0 40 FCAB CN1C[C@@H](C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)CC1=O 12225314 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372.425 0.475 0 40 FCAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)NC(=O)NC2=O 40033851 CWQLWSCQRNTGJC-LBPRGKRZSA-N 362.386 0.235 0 40 FCAB C[C@]1(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)CCS(=O)(=O)C1 53273707 BTHUDEADBMDNCZ-HNNXBMFYSA-N 372.468 0.534 0 40 FCAB CCCn1c(N)c(C(=O)CN(C)Cc2cccc(OC)c2)c(=O)n(C)c1=O 58149253 AIOCQCCBLJABHM-UHFFFAOYSA-N 374.441 0.863 0 40 FCAB CN1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 95999789 ILBFIROBFYCYNF-INIZCTEOSA-N 351.472 0.868 0 40 FCAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C(N)=O)n(C)c1 97013953 QIBHNINWQCHETO-SNVBAGLBSA-N 352.420 0.091 0 40 FCAB COC(=O)c1sccc1S(=O)(=O)NCCn1ccn2nccc12 206746757 OMKKWBGFUOMFDZ-UHFFFAOYSA-N 354.413 0.962 0 40 FCAB CO[C@@H]1CN(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[C@]12CCCO2 257262798 LMYZRLBSELUHGT-VQIMIIECSA-N 374.441 0.695 0 40 FCAB CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCC(O)CC1 257289436 PYORIRZZHBHWRN-BDXSIMOUSA-N 363.458 0.560 0 40 FCAB O=C1CN([C@@H]2CCC[C@@H](NC(=O)c3ccc4[nH]cnc4c3)[C@H]2O)CCN1 257317833 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BSWYMZGWPFBSSJ-HNNXBMFYSA-N 353.444 0.886 0 40 FCAB Cc1ccc(C)c(OC[C@@H](O)Cn2c(=O)c3nccnc3c(=O)n2C)c1 12825485 GHWZWWHGFFCJAJ-ZDUSSCGKSA-N 356.382 0.547 0 40 FCAB CC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2CCN1CCOCC1 20623218 RVIMUIJHXRSJEX-UHFFFAOYSA-N 351.428 0.605 0 40 FCAB CC/C=C\C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)CC[C@@H]1CC(=O)O 35465104 GJZJZRWFRZFTEE-NOUXHJAXSA-N 374.430 0.029 0 40 FCAB biogenic,in-vitro COC(=O)c1ccc(C)c(O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 40051898 NSFHPCBZKIPQFQ-DGCLKSJQSA-N 355.412 0.852 0 40 FCAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccncc2)CC(O)=N3)CC1 61720489 DHQKHKPFXDVMOG-LBPRGKRZSA-N 368.397 0.990 0 40 FCAB O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCOCC1 69921538 DKOVSYKXXJENBB-LJQANCHMSA-N 358.442 0.863 0 40 FCAB O=C(Cn1c(-c2ncccn2)noc1=O)NC[C@H]1COc2ccccc2O1 69949260 RYGCOHXFYCHCQB-NSHDSACASA-N 369.337 0.250 0 40 FCAB Cc1nc(S(=O)(=O)N2CCN(Cc3ccc(CO)o3)CC2)cn1C 93819380 AEPSLAXAHQXDMI-UHFFFAOYSA-N 354.432 0.320 0 40 FCAB CCOC(=O)[C@@H]1CC[C@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 95966977 MUMFLLBPHGHXDS-NEPJUHHUSA-N 353.419 0.945 0 40 FCAB Cn1ccc(C(=O)N2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)n1 108529658 GARKSVXQMPGVPE-GFCCVEGCSA-N 356.448 0.123 0 40 FCAB Cn1c(=O)sc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc21 225680958 NWGAXUYASUQOCC-UHFFFAOYSA-N 371.484 0.601 0 40 FCAB O=C(c1n[nH]c2c1CCCC2)N1CCN(C2CCS(=O)(=O)CC2)CC1 225811354 DIEDBBCHWFZXHH-UHFFFAOYSA-N 366.487 0.624 0 40 FCAB CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(Cc2ccccc2)CC1 225963050 DFHYOJHZLPUDIN-UHFFFAOYSA-N 354.476 0.069 0 40 FCAB C[C@H]1CN(C(=O)CN2CCN(c3ccnc(N(C)C)n3)CC2)C[C@@H](C)O1 533071386 ADKABRAXLJUOPS-GASCZTMLSA-N 362.478 0.300 0 40 FCAB O[C@H]1CCN(CC2(O)CCOCC2)C[C@]1(O)COc1cc(F)ccc1F 585282381 IPAJYFLLYFHLSH-WMZOPIPTSA-N 373.396 0.683 0 40 FCAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2nnnn2CC1 643367870 JEAYBVKCLMZFOR-ZWNOBZJWSA-N 362.821 0.966 0 40 FCAB CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)NCCCCOC[C@@H](O)[C@H]1O 643585930 DKEAVUYUSQARQV-BSDSXHPESA-N 360.495 0.386 0 40 FCAB NS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)o1 681675854 IXMVTSGNGZYBQT-MRXNPFEDSA-N 361.379 0.663 0 40 FCAB O=C([C@H]1CN(c2cc(=O)n3ccccc3n2)CCO1)N1CCSCC1 1888857048 YBWHQMJWEHHIMQ-CYBMUJFWSA-N 360.439 0.475 0 40 FCAB COCCn1cnc2c(N3C[C@@H]4CN(C(=O)C5CC5)C[C@H]4C3)ncnc21 1888876385 VKRPWRJNVWUAMN-ZIAGYGMSSA-N 356.430 0.777 0 40 FCAB CCN(C(=O)COC(=O)c1ccc(O)cc1O)[C@@H]1CCS(=O)(=O)C1 3365771 UJJABNZZFVTNMT-SNVBAGLBSA-N 357.384 0.290 0 40 FCAB C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 5080892 YEXVXKIMPBHRQR-XZEWGWFPSA-N 353.415 0.244 0 40 FCAB COc1cc(CNCCNC(=O)c2nonc2N)cc(OC)c1OC 8469953 WNHMZHCDYCXXTQ-UHFFFAOYSA-N 351.363 0.197 0 40 FCAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)n1nnc2ccccc2c1=O 9025595 PGXRLLURWWFTAJ-SNVBAGLBSA-N 373.394 0.639 0 40 FCAB Cc1cc(=O)n2c(n1)NC(N1CCN(CCO)CC1)=N[C@@H]2[C@@H]1CC=CCC1 9289579 KGWUXHJYMMWTBP-WBVHZDCISA-N 372.473 0.798 0 40 FCAB Cc1nc2ccccc2c2nn(CC(=O)N3CCNC(=O)C3(C)C)c(=O)n12 12144990 MGFAWRPTHNBXND-UHFFFAOYSA-N 368.397 0.090 0 40 FCAB COC(=O)[C@@](O)(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C(F)(F)F 12417381 RTCIFQBAWIGGPG-AWEZNQCLSA-N 373.287 0.090 0 40 FCAB O=C1NCCN(C(=O)C2CC2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164525 RSIZRUPGBJCQIV-QGZVFWFLSA-N 370.453 0.462 0 40 FCAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 14729229 QBIGYTAEPFSUGM-MRXNPFEDSA-N 364.467 0.885 0 40 FCAB CS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 24508624 NMKZHDXSSWYLHU-UHFFFAOYSA-N 366.892 0.691 0 40 FCAB CCNC(=O)NC(=O)[C@H](C)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 29677609 WVCHUJUDLDVXCR-CABCVRRESA-N 367.494 0.239 0 40 FCAB CCCn1c(=O)c2sccc2n(CC(=O)NC[C@@H]2CCCO2)c1=O 57478833 KWBMGGKDARRHON-NSHDSACASA-N 351.428 0.930 0 40 FCAB CC(=O)NCc1ccc(S(=O)(=O)NC[C@H](C)CN2CCCC2=O)s1 58210776 QJRJBYZZVWOQHJ-NSHDSACASA-N 373.500 0.921 0 40 FCAB Cc1nc(S(=O)(=O)NCCC(=O)N(C)CCC(F)(F)F)cn1C 72230564 PDAYIHKJQOTGMV-UHFFFAOYSA-N 356.370 0.808 0 40 FCAB CCCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(N)=O)[nH]n2)cc1 95444326 CFTOXXRUNWSIDM-UHFFFAOYSA-N 352.372 0.876 0 40 FCAB C[C@@H]1CN(S(=O)(=O)CCNc2ncnc3nn(C)cc23)C[C@@H](C)O1 95973299 AXIDOOASQPQXQO-GHMZBOCLSA-N 354.436 0.214 0 40 FCAB O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1C[C@H]1c1nc[nH]n1 95993620 MIIRPNLOWPWOIQ-VXGBXAGGSA-N 369.834 0.656 0 40 FCAB Cn1ccnc1CN1CCOC[C@@]2(C[C@@H](CNc3ncccn3)CO2)C1 107243648 SHNARACYDASRPU-MAUKXSAKSA-N 358.446 0.930 0 40 FCAB CS(=O)(=O)N1CCC[C@@]12CCN(CCOc1ccccc1)C[C@@H]2O 257244388 ILBKWJMBXGNBKD-IRXDYDNUSA-N 354.472 0.926 0 40 FCAB CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)CNC(C)=O)CC1 257314506 UXGVFGQOFZXZQH-LJQANCHMSA-N 362.474 0.783 0 40 FCAB Cc1ncnc(N2C[C@H]3CN(S(=O)(=O)c4cnn(C)c4)C[C@@H]3C2)c1C 585618245 PPEKHRMJADPIHX-KBPBESRZSA-N 362.459 0.584 0 40 FCAB Cc1nnc2ccc(N3CCC(N(C)S(=O)(=O)C4CC4)CC3)nn12 2087144007 YCYOBNUMMMGJTQ-UHFFFAOYSA-N 350.448 0.826 0 40 FCAB COCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 4488055 KDMVTZCGVUMKCS-UHFFFAOYSA-N 356.444 0.921 0 40 FCAB CCO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@@H]2O1 5158647 TXRXEHHGCBJORG-FUROGXQKSA-N 357.263 0.227 0 40 FCAB in-vitro COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)C1CCCCC1 5397673 QFBOVGJKKGJQGH-IUODEOHRSA-N 367.446 0.304 0 40 FCAB biogenic,in-vitro CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccco1 7262466 NJXGVLQEXWTWEO-JTQLQIEISA-N 353.400 0.438 0 40 FCAB C[C@]1(NS(=O)(=O)c2ccc3c(c2)OCCCO3)CCS(=O)(=O)C1 7304319 BVPHJMABARBVKN-AWEZNQCLSA-N 361.441 0.703 0 40 FCAB CCOC(=O)CCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 7947364 UYBGYEJEGMVIJY-UHFFFAOYSA-N 370.427 0.989 0 40 FCAB O=C1CN(CC(=O)Nc2cc3c(cc2Br)OCCO3)CCN1 9337847 HGRIALANGMMYTA-UHFFFAOYSA-N 370.203 0.591 0 40 FCAB COc1ccc(NC(=O)Cn2c(=O)c3c(OC)ccnc3n(C)c2=O)cc1 9571601 UPCKTZDVODBTMH-UHFFFAOYSA-N 370.365 0.751 0 40 FCAB C[C@H]1CN(C(=O)CSc2nnc(SCC(N)=O)s2)C[C@H](C)O1 22091504 ZHUZOGPKTUAQMD-YUMQZZPRSA-N 362.502 0.843 0 40 FCAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc[nH]n3)c2)C[C@@H](C)O1 23142511 VLIIWCSITHIEJU-PHIMTYICSA-N 365.415 0.855 0 40 FCAB CN(CC(=O)Nc1cccc(-n2cnnn2)c1)S(=O)(=O)c1ccccc1 25080977 NJNRIPIRALQIBV-UHFFFAOYSA-N 372.410 0.922 0 40 FCAB CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 32824035 LPFFWEBAJTWXIE-UHFFFAOYSA-N 360.457 0.490 0 40 FCAB CC(=O)N1CCN(CC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)CC1 36390063 OIYWVMXCMXMDAZ-UHFFFAOYSA-N 360.458 0.864 0 40 FCAB CC(C)(C)c1n[nH]cc1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 36740616 LRQAURZAWRGING-UHFFFAOYSA-N 371.507 0.402 0 40 FCAB O=C(COCc1ccccc1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 58377544 YHEUFIMPXBGBPB-UHFFFAOYSA-N 373.409 0.023 0 40 FCAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccno1 70933160 NOFKUHNACSYSPK-UHFFFAOYSA-N 350.400 0.900 0 40 FCAB CC1(C)C[C@@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCO1 72404656 XUOSMSMHOSDRSP-NWDGAFQWSA-N 371.459 0.226 0 40 FCAB CN(C)C(=O)COC[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CO1 96209418 NGPHAJYBMZMPLT-MRXNPFEDSA-N 350.463 0.896 0 40 FCAB CS(=O)(=O)N1CCOC[C@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 96240135 SDLLXOXBOAFPBF-OAHLLOKOSA-N 358.391 0.220 0 40 FCAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCc3cccnc3)[C@@H]4C2=O)no1 101419213 IOZYEGGIGLQOAY-DEWZPKMOSA-N 366.377 0.981 0 40 FCAB O=C(CCc1cccnc1)N1CC[C@H](O)[C@@H](n2ccc(O)nc2=O)CC1 257245316 IOYHMAULPBHAAH-GJZGRUSLSA-N 358.398 0.501 0 40 FCAB CC(=O)N1CCC(c2nnc3n2C[C@@H](C(=O)N2CCN(C)CC2)CC3)CC1 306126175 DOWGMXHYFUMMCQ-INIZCTEOSA-N 374.489 0.340 0 40 FCAB CCCCN(C(=O)CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 516696617 BTZIYVGTRLZURJ-CYBMUJFWSA-N 366.505 0.228 0 40 FCAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 585101028 WVNFCGSZYLSCLQ-HNNXBMFYSA-N 361.442 0.771 0 40 FCAB CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(C(=O)Cc3ccccc3)C[C@H]21 585110165 RJQAVRFRGVGBCX-CABCVRRESA-N 354.410 0.613 0 40 FCAB O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc2c(c1)CCCO2 647742577 BFJDSFVJTMUPIV-ZDUSSCGKSA-N 353.396 0.264 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)COCc3cccc(C)c3)C2)C1 685943305 YGYKICQDVWEMDB-HNNXBMFYSA-N 359.426 0.317 0 40 FCAB O=C(NCc1cccnc1)C1=NO[C@@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]12 1565545782 OUDCFSWQCMWEJR-QWHCGFSZSA-N 364.352 0.956 0 40 FCAB O=C(CCc1cncnc1)N1CC[C@H]2OCC[C@@]2(C(=O)N2CCOCC2)C1 1565548204 ZPZBSOHEPQEJCB-VQIMIIECSA-N 374.441 0.276 0 40 FCAB CC(C)N(C)CC(=O)N1CC[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 1565551735 JXXQKRYQOCCPSW-HOTGVXAUSA-N 361.446 0.259 0 40 FCAB CN1CCN(C(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)CC1 8091751 IWYQAFFQQDTEII-UHFFFAOYSA-N 357.366 0.047 0 40 FCAB CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O 8507151 RQKCRXQQIMKPNG-ZDUSSCGKSA-N 367.427 0.000 0 40 FCAB COc1ccccc1Nc1nc(N)nc(CN2CCC(C(N)=O)CC2)n1 9334732 OBZUTVULWWEKKD-UHFFFAOYSA-N 357.418 0.903 0 40 FCAB COc1cc(NC(=O)COC(=O)c2nccnc2N)cc(OC)c1OC 10138193 YSQOBDFAXNGJRR-UHFFFAOYSA-N 362.342 0.880 0 40 FCAB COc1cc(S(=O)(=O)N2CCN(CCO)CC2)c(OC)cc1Cl 12420591 WBEJZEZOCIOYAZ-UHFFFAOYSA-N 364.851 0.656 0 40 FCAB C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)cc1 15330277 RAWDQVCEERHTKN-VIFPVBQESA-N 357.819 0.777 0 40 FCAB COc1ccccc1N1CCN(CCS(=O)(=O)CCC(N)=O)CC1 16444284 YIMYOPUGHOCSSK-UHFFFAOYSA-N 355.460 0.107 0 40 FCAB CN(C)c1c(N)n(C)c(=O)n(CC(=O)Nc2ccc(Cl)cc2F)c1=O 32682484 SKACWGKEKSMGTF-UHFFFAOYSA-N 369.784 0.626 0 40 FCAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(C(=O)C2CC2)CC1 35307843 RRHRWARTLODITK-JTQLQIEISA-N 350.444 0.728 0 40 FCAB C1CCCNCCNCCNCCCCCCNCCNCCNCC1 68604620 MLQXZROGWAZPIP-UHFFFAOYSA-N 370.630 0.658 0 40 FCAB biogenic COc1cnc(C2(O)CCN(C(=O)c3cncc(N)c3)CC2)c(OC)n1 72342919 RORSNPDJRJYIQU-UHFFFAOYSA-N 359.386 0.595 0 40 FCAB C[C@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C 76089392 UUOUAPZJPRVFDB-STQMWFEESA-N 367.471 0.781 0 40 FCAB CC(C)[C@@H](CNC(=O)N1CCN(c2cnn(C)c2)CC1)N1CCOCC1 80665477 XBLAKPZATAKETH-QGZVFWFLSA-N 364.494 0.609 0 40 FCAB O=C(O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 95868108 PWXBLRUHNLSORC-ZDUSSCGKSA-N 363.370 0.105 0 40 FCAB CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)Cc3ccco3)C2)O1 96217452 OZKNLIAUHADXEN-GDBMZVCRSA-N 356.444 0.912 0 40 FCAB O=C(O)[C@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)CCO1 573592205 BMOVFAMLBLCIEW-SECBINFHSA-N 355.290 0.901 0 40 FCAB COc1ccc(C(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cn1 585322291 FJOCRVNBKAINBS-UHFFFAOYSA-N 364.427 0.902 0 40 FCAB CO[C@H](Cn1cnc2c(c(S(C)(=O)=O)nn2C)c1=O)C1CCCC1 664019066 BVHYSDXBPDSSAJ-LLVKDONJSA-N 354.432 0.739 0 40 FCAB COCCOCC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615156150 KGVOEEYMHOAOBE-GOSISDBHSA-N 366.389 0.823 0 40 FCAB O=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966597 NXNXUXYOCSSRFN-UHFFFAOYSA-N 373.344 0.903 0 40 FCAB Cn1ncc2c(N3C[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]4C3)ncnc21 1888890511 UKBWSQAMMQQXGW-GJZGRUSLSA-N 362.393 0.985 0 40 FCAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)Cc2ccn(C)n2)C1 2055750595 IZVPSYCCUTVUKW-SFHVURJKSA-N 359.405 0.931 0 40 FCAB COc1cc(OC)nc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086884524 FGYMJCFLWLBNIL-NSHDSACASA-N 372.372 0.957 0 40 FCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1ccsc1 2332242026 QNUGTIXKZNENFV-JYJNAYRXSA-N 364.471 0.174 0 40 FCAB COc1ccc(N[C@@]2(Br)C(=O)NC(=O)N[C@H]2C(=O)O)cc1 1693970 VHKVZOFKXILBSO-QPUJVOFHSA-N 358.148 0.491 0 40 FCAB COCCNC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 2975291 NWKNJEVRWFBAGP-UHFFFAOYSA-N 351.384 0.940 0 40 FCAB C[C@H](OC(=O)Cc1csc(N2CCCC2=O)n1)C(=O)N1CCNC1=O 7045285 RBRAYIQKEXMRPY-VIFPVBQESA-N 366.399 0.296 0 40 FCAB CN(C)C(=O)CNC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 8312410 ZZSVJGIYMOXHCE-INIZCTEOSA-N 364.427 0.036 0 40 FCAB CNC(=O)CNC(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 8753699 PNNMDYUEWRTQTO-UHFFFAOYSA-N 369.487 0.759 0 40 FCAB CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1 12234781 WIZBMWLGXWMFEZ-UHFFFAOYSA-N 365.455 0.820 0 40 FCAB COC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc(C(N)=O)c1C 13451582 ITVVJISUKIEUMC-UHFFFAOYSA-N 360.355 0.632 0 40 FCAB CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 13785139 DODVCPIJVHBDKH-UHFFFAOYSA-N 356.430 0.640 0 40 FCAB biogenic CCn1c(=O)n(CC(=O)Nc2nc(CC(N)=O)cs2)c2ccccc21 14094334 HSAOWWFNUXIVLF-UHFFFAOYSA-N 359.411 0.946 0 40 FCAB CC(C)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 19462126 GLECHDYOLKNDLW-FZMZJTMJSA-N 360.414 0.943 0 40 FCAB C[C@H](NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 20768921 ZZQIFUCWWGQCPX-LBPRGKRZSA-N 361.423 0.828 0 40 FCAB CSc1nc2nc(C)c(CC(=O)N[C@H]3CCCCNC3=O)c(C)n2n1 40146131 KTLKDCFAPLWIFE-LBPRGKRZSA-N 362.459 0.790 0 40 FCAB Cc1ccc(NC(=O)C2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc1 95365087 KWNPSJIMFJTFAZ-KBPBESRZSA-N 353.444 0.198 0 40 FCAB CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)s1 95939409 UASZEWIKFNTJQZ-LURJTMIESA-N 358.235 0.713 0 40 FCAB CN(C)CCNc1ncc2c(=O)n(-c3ccc4c(c3)OCO4)c(=O)[nH]c2n1 102911708 RAMRKMPQRADGKW-UHFFFAOYSA-N 370.369 0.171 0 40 FCAB O=C(Nc1ncnc2[nH]cnc12)C1CN(c2cc(-n3cccn3)ncn2)C1 244970298 HRYDHOZHUSDBGB-UHFFFAOYSA-N 362.357 0.404 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1cocn1)CC2 247837940 JTDHPSYFXPVJRW-GFCCVEGCSA-N 357.432 0.435 0 40 FCAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCCn1ccnc1 408596915 UZKYGOMZYFWLCO-GFCCVEGCSA-N 354.407 0.896 0 40 FCAB COCCN1CC[C@]2(CN(C(=O)c3ccnnc3)CC(F)(F)C2)C1=O 585093125 DEDXQUZCZZFQSX-HNNXBMFYSA-N 354.357 0.823 0 40 FCAB Cc1noc(C)c1C(=O)N1C[C@H]2ON=C(C(=O)NCc3cccnc3)[C@H]2C1 585108892 CABALQHXYAAOFN-UONOGXRCSA-N 369.381 0.830 0 40 FCAB CCc1cccc(S(=O)(=O)NCCc2nnc3n2CCN(C)C3=O)c1 1616030466 BAZQSIOYOODGSR-UHFFFAOYSA-N 363.443 0.447 0 40 FCAB NC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1357682 YBWCSGRIYJJIQB-UHFFFAOYSA-N 359.835 0.342 0 40 FCAB CSCC[C@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 2133434 SHMHJTVSNICKHD-CABZTGNLSA-N 365.411 0.573 0 40 FCAB biogenic CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(O)cc2O)CC1 3340930 ASNKCJBYUUTPDL-UHFFFAOYSA-N 352.343 0.555 0 40 FCAB NC(=O)CN1CCC(NC(=O)COc2ccc(Br)cc2)CC1 10922687 GCFRRRMWKKWAPV-UHFFFAOYSA-N 370.247 0.894 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2ncnc3[nH]cnc23)CC1 12323872 ONJFMMVXVCJQPW-UHFFFAOYSA-N 363.403 0.469 0 40 FCAB NC(=O)C1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 12911811 NSDNCVHSJOTRMP-UHFFFAOYSA-N 358.192 0.496 0 40 FCAB COc1ccc(OC)c([C@@H]2C3=C(COC3=O)Nc3c2c(=O)[nH]c(=O)n3C)c1 16047708 ZAIHCYCQOBQAQQ-GFCCVEGCSA-N 371.349 0.459 0 40 FCAB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2nccs2)CC1 21379980 SUSXDESEJDRRMQ-QWHCGFSZSA-N 372.516 0.299 0 40 FCAB CNC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 23115386 QQLAOPOOIHWLQG-UHFFFAOYSA-N 373.438 0.618 0 40 FCAB COC(=O)[C@H](CCSC)N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O 23584832 LNNASIYOVPJQAU-BRNRAETOSA-N 373.500 0.654 0 40 FCAB CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 56184321 VJIPUDFJGHNJSN-VXGBXAGGSA-N 362.430 0.839 0 40 FCAB C[C@@H](Sc1ccccc1Cl)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 75105286 SOVCTGQPEULPSA-MNOVXSKESA-N 367.858 0.990 0 40 FCAB O=C(NCCC(=O)N1CCN(C(=O)c2ccccn2)CC1)c1ccccn1 95451340 XXHNMHJNASJMRW-UHFFFAOYSA-N 367.409 0.581 0 40 FCAB COc1ccc(CCC(=O)NC[C@@H](C)S(N)(=O)=O)c(OC)c1OC 95454121 KPLNMHWZIQHCNV-SNVBAGLBSA-N 360.432 0.438 0 40 FCAB COCCOc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H](C)C(N)=O 95461687 OVYJQODPSMYQAP-SECBINFHSA-N 350.824 0.860 0 40 FCAB CS(=O)(=O)N1C[C@@H]2COC[C@]2(CC(=O)NCCc2ccccc2)C1 96206773 WFDDCHKTBYPPKF-WBVHZDCISA-N 352.456 0.643 0 40 FCAB Cc1cnc(C(=O)N2CCOC[C@@]3(C[C@H](Cn4cnnc4)CO3)C2)cn1 96240612 YGWJZSXDUQQSSR-RHSMWYFYSA-N 358.402 0.324 0 40 FCAB O=C(O)[C@]12[C@H]3[C@H]4[C@@H]([C@@H]5[C@H]1[C@H]3[C@]5(Br)C41OCCO1)C21OCCO1 102937623 GCTJOCJIURITLW-HRGVYTJRSA-N 371.183 0.443 0 40 FCAB COC(=O)[C@@H]1N2C(=O)[C@H](NC(=O)COc3ccccc3)[C@@H]2SC1(C)C 149227617 JYVSRPXYJNDSQP-YDHLFZDLSA-N 364.423 0.786 0 40 FCAB COCCN1C[C@H](C(=O)O)CN2CCN(Cc3nccs3)C[C@H]2C1 247889956 SWEZBDRSURKTGQ-KBPBESRZSA-N 354.476 0.292 0 40 FCAB Cc1c[nH]c(-c2cc(C[C@@H]3CCN(S(=O)(=O)N(C)C)C3)ncn2)n1 257219369 DGNWKLUYOSSSSY-LBPRGKRZSA-N 350.448 0.846 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2nccnc2-c2cncn2C)C1 257249688 JJJCQGDTNRECAC-CYBMUJFWSA-N 364.475 0.938 0 40 FCAB CNC(=O)c1cccnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 301426146 UCNKRPCMYQJTOI-MRXNPFEDSA-N 361.490 0.672 0 40 FCAB Cn1cc(NC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)c(C(N)=O)n1 585114306 GSTBTUUDHMHEHJ-SFYZADRCSA-N 350.297 0.442 0 40 FCAB O=C(NC[C@@H](N1CCNCC1)C(F)(F)F)N1CCO[C@@H]2CCC[C@@H]21 627090919 COQRQSVIPRUMAM-YNEHKIRRSA-N 350.385 0.785 0 40 FCAB CC(C)N(C)CC(=O)N1CCOC[C@]2(C[C@@H](Cn3cnnc3)CO2)C1 1565545088 ACGAAQSAUGDAAX-RDJZCZTQSA-N 351.451 0.252 0 40 FCAB O=C(Cc1ccccn1)N1CCc2ncnc(N3CCOCC3)c2CC1 1565548294 AKNBXDWVJYDPEF-UHFFFAOYSA-N 353.426 0.878 0 40 FCAB Cn1cc(-c2nnn3c2CO[C@H](CNC(=O)c2cc(C4CC4)on2)C3)cn1 1614937294 RYKTWEMIMARBOM-GFCCVEGCSA-N 369.385 0.873 0 40 FCAB COc1cnc(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)nc1 2055795865 KYPGGZIVLYIVMO-HNNXBMFYSA-N 374.441 0.880 0 40 FCAB COc1cc([C@H](O)[C@@]2(c3ccc(O)c(OC)c3)NC(=O)NC2=O)ccc1O 1681737 DPSIXARYQVDMII-MAUKXSAKSA-N 374.349 0.883 0 40 FCAB Cc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n12 4249953 CYQISUHJGCDWLM-UHFFFAOYSA-N 358.383 0.556 0 40 FCAB CCOC(=O)CNC(=O)CSC1=NS(=O)(=O)c2ccccc2N1 4329587 UEIZFUXSPAMZDU-UHFFFAOYSA-N 357.413 0.569 0 40 FCAB COc1ccc(NC(=O)C[C@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 4760994 FETOBAIVGXJKJT-LLVKDONJSA-N 358.354 0.157 0 40 FCAB COC(OC)C(=O)N1Cc2cc3c(cc2[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]21)OCO3 5048552 AHOLANIUNQKIMU-FQUUOJAGSA-N 365.382 0.344 0 40 FCAB O=C(Cc1n[nH]c(=O)c2ccccc12)NN1C(=O)NC2(CCCCC2)C1=O 7138818 AUBJVPRPFRAIJW-UHFFFAOYSA-N 369.381 0.752 0 40 FCAB CC1CCN(C(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccccc2)CC1 8848624 XLTRGWWOQROZDF-UHFFFAOYSA-N 369.425 0.815 0 40 FCAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)NC(=O)NC2CC2)nc1N 9322242 DUIYBJZHOLXFDY-ZETCQYMHSA-N 353.404 0.704 0 40 FCAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCC(=O)NC(C)(C)C)C2=O 12614924 APJPBHFLAZDYOA-PIGZYNQJSA-N 352.435 0.518 0 40 FCAB Cc1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1S(=O)(=O)N(C)C 12897699 SUVYPTJDPSCRGF-UHFFFAOYSA-N 368.415 0.078 0 40 FCAB Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1F 12900102 QEDNEUOKQDXCPC-RYUDHWBXSA-N 354.403 0.790 0 40 FCAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)c1 12994640 FYCQSAZCHYPRLX-UHFFFAOYSA-N 369.443 0.882 0 40 FCAB C[C@H]1c2ccsc2CCN1CC(=O)N1CCN(S(C)(=O)=O)CC1 14185554 DKLXAWKGMPNPJZ-LBPRGKRZSA-N 357.501 0.771 0 40 FCAB OC[C@@H]1O[C@@H](Oc2c[nH]c3ccc(Br)cc23)[C@H](O)[C@H](O)[C@H]1O 15206396 LINMATFDVHBYOS-ODXJTPSBSA-N 374.187 0.109 0 40 FCAB in-vitro COCCC(=O)NCCn1nc([C@@H]2CCN(C(C)=O)C2)c2cccnc21 19016531 LUSVQLMLUDIYOB-CQSZACIVSA-N 359.430 0.920 0 40 FCAB Cc1c(NC(=O)CN2CCN(C)C(=O)[C@H](Cc3ccccn3)C2)cnn1C 19696840 PCLDFOLBENLTTJ-OAHLLOKOSA-N 370.457 0.695 0 40 FCAB Cc1c([C@@H](C)NC(=O)Cn2cccc(C(=O)NCC3CC3)c2=O)cnn1C 19750740 SDUCKVQJXOUURV-GFCCVEGCSA-N 371.441 0.907 0 40 FCAB O=C1CCC(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)=NN1 32971069 NKKZEENNRPRBQO-UHFFFAOYSA-N 363.399 0.362 0 40 FCAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@H]3CCOC3=O)CC2)o1 40154148 LXJRMYJXJBMWRE-NSHDSACASA-N 372.399 0.078 0 40 FCAB O=C(NNC(=O)N1C[C@H]2CC[C@@H]1C2)c1csc(N2CCOCC2)n1 50095562 XYZYDJBFGFNDDH-WDEREUQCSA-N 351.432 0.818 0 40 FCAB CN(C(=O)CNc1ccc(F)cc1OCCO)[C@H]1CCS(=O)(=O)C1 58190969 OZNJTGQVEDWVFF-LBPRGKRZSA-N 360.407 0.254 0 40 FCAB COc1ccc(C(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 58193636 PCNUKKDJCCHWDK-SNVBAGLBSA-N 372.381 0.895 0 40 FCAB O=c1c2ccccc2ncn1CCNS(=O)(=O)c1cccc2nonc12 61718776 NEVRUXCYZUFLLC-UHFFFAOYSA-N 371.378 0.911 0 40 FCAB O=C(NCc1nnc2n1CCCC2)N1CCC[C@@H](CN2CCOCC2)C1 69936512 XMJIPDVITWFJTA-HNNXBMFYSA-N 362.478 0.868 0 40 FCAB O=C1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CCN1 88787521 JYEOBVSZDVKNDJ-GFCCVEGCSA-N 352.341 0.602 0 40 FCAB C[C@H]1CCCCN1C(=O)CN1CCN(CCCN2CCOCC2)CC1 95401402 DFTQILLUGJNGJE-SFHVURJKSA-N 352.523 0.727 0 40 FCAB O=C(CN1CCN(S(=O)(=O)c2cccc3cnccc23)CC1)NC1CC1 96996901 ANRXBUPMRRDPCT-UHFFFAOYSA-N 374.466 0.820 0 40 FCAB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1O 226859998 NKORXYWKVJZASZ-UHFFFAOYSA-N 362.319 0.775 0 40 FCAB CN(C)C(=O)[C@H]1CN(C(=O)c2ccccc2Cn2cccn2)CCN1C 257263106 LOKJSHHAQYUCSQ-QGZVFWFLSA-N 355.442 0.776 0 40 FCAB O=C(NC[C@]1(O)CN(Cc2cc(F)ccc2F)C[C@H]1O)c1c[nH]cn1 257268162 MKMJPAWKTLTEBR-ZBFHGGJFSA-N 352.341 0.026 0 40 FCAB CCc1nn(C)c(OC)c1CNC(=O)c1cn(C)c2c(cnn2C)c1=O 548058972 HBWSUYWOMJGECB-UHFFFAOYSA-N 358.402 0.507 0 40 FCAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2cc3c(nn2)CCC3)CC1 575606759 FEYBFWDAVADHSG-ZDUSSCGKSA-N 350.444 0.049 0 40 FCAB O=C(CCc1cncnc1)N1Cc2nccn2C[C@H](Cn2cncn2)C1 585110688 RACFGGWWDLQCTP-HNNXBMFYSA-N 352.402 0.556 0 40 FCAB Cc1cc(NC(=O)[C@H]2Cn3c(C)nnc3CN2C)nn1CC(F)(F)F 644491209 ZZUNDSAMAXYEEU-SNVBAGLBSA-N 357.340 1.106 0 40 FCAB COC(CNC(=O)CC1(c2oc(C)cc(=O)c2O)CCOCC1)OC 1547139711 YNSFEVBQAFUWRP-UHFFFAOYSA-N 355.387 0.827 0 40 FCAB biogenic CC(=O)c1cc(C(=O)N2C[C@@H]3OCCN(Cc4cccnc4)[C@@H]3C2)n[nH]1 1565546598 HUUQECGCZOYEGR-SJORKVTESA-N 355.398 0.733 0 40 FCAB CN(C)CCOC[C@H]1CN(C(=O)CCc2ccc[nH]2)Cc2nnn(C)c21 1565553145 LURAZHXKBVRHCF-CQSZACIVSA-N 360.462 0.780 0 40 FCAB Cc1cc(N2CCN(c3nnnn3-c3ccccc3)CC2)n2ncnc2n1 1350866 UNANGBKZUTYJOF-UHFFFAOYSA-N 362.401 0.735 0 40 FCAB COC(OC)C(=O)N1Cc2cc3c(cc2[C@H]2C[C@@H](O)[C@@H](O)C[C@H]21)OCO3 5048553 AHOLANIUNQKIMU-SYQHCUMBSA-N 365.382 0.344 0 40 FCAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCNC2=O)C1=O 8157285 KDHLEQBVXBGEOO-QGZVFWFLSA-N 356.338 0.752 0 40 FCAB Cc1ccc(SCCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 8746154 DKDKFUWSVZISHQ-UHFFFAOYSA-N 369.468 0.463 0 40 FCAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N1CCN(C)CC1 20573622 MLSBOCCCWPFHIU-ZDUSSCGKSA-N 356.430 0.728 0 40 FCAB C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)N1CCOCC1 22225207 RHLVCDRQKGUAQA-LLVKDONJSA-N 359.473 0.671 0 40 FCAB COc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)N(C)C)CC1 26169614 VMXKWHZMSJTCJG-UHFFFAOYSA-N 370.475 0.448 0 40 FCAB Cn1ncc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1-n1cccc1 32240334 FDHMJLJWBMOGCR-UHFFFAOYSA-N 370.457 0.591 0 40 FCAB O=C1NC(=O)C2(CCN(C(=O)Cc3cnn(-c4ccccc4)c3)CC2)N1 48274022 WWUAZIRLIRUOTE-UHFFFAOYSA-N 353.382 0.615 0 40 FCAB CC(=O)NCC(=O)NCC(=O)N1CCCc2cc(Br)ccc21 58223929 SWISKJJNWWPMNF-UHFFFAOYSA-N 368.231 0.981 0 40 FCAB O=C(NCCN1CCCS1(=O)=O)N1CCCN(c2nccs2)CC1 64254074 CZTWUKFGOOSWGW-UHFFFAOYSA-N 373.504 0.400 0 40 FCAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(C)(=O)=O)CC2)c1C 95473364 CLHAVQWYJYWHCJ-UHFFFAOYSA-N 357.432 0.526 0 40 FCAB COC(=O)c1sccc1S(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 96025320 VOQZYKJADFLIHX-MRVPVSSYSA-N 353.443 0.342 0 40 FCAB CC(=O)N1C[C@H]2CN(C(=O)c3cccs3)CCN2C[C@@H](C(=O)O)C1 96184949 XPJPWFLJJDVLJE-CHWSQXEVSA-N 351.428 0.437 0 40 FCAB CCN1CCn2c(nn(CC(=O)N[C@H](C)c3ccc(C)cc3)c2=O)C1=O 98213048 JZUCSEPLTYLFAY-CYBMUJFWSA-N 357.414 0.706 0 40 FCAB Cc1ccn2c(NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)nnc2c1 121832202 CAQUJNHABAQWSH-GVARAGBVSA-N 351.366 0.783 0 40 FCAB CC(=O)N1CCC(C(=O)N2CC[C@H](Oc3cncc(N(C)C)n3)C2)CC1 225399285 ILTHSYJJGLSMBT-HNNXBMFYSA-N 361.446 0.781 0 40 FCAB CNC(=O)c1cccc([C@H]2CN(C=O)CCN2C(=O)c2cc(C)on2)c1 257238473 HLCUUBXRENBPQP-MRXNPFEDSA-N 356.382 0.998 0 40 FCAB O=C(O)c1ccc(=O)n(C[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c1 257268905 MNSXBGRMUKPCPM-SFHVURJKSA-N 371.437 0.725 0 40 FCAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCN(C(C)=O)C3)nc2NC)C1 257270865 MVYXDKHCXXKSMZ-LBPRGKRZSA-N 367.475 0.562 0 40 FCAB Cn1cc(N2CCN(C(=O)Cn3c(O)nc(=O)c4ccccc43)CC2)cn1 266866885 ZDLKGCXIEOTADC-UHFFFAOYSA-N 368.397 0.184 0 40 FCAB NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)Cc2ccccc2F)C1 271721527 KZECNLRENSOLBO-LLVKDONJSA-N 365.452 0.161 0 40 FCAB CCOCC(=O)N1CC2(C1)[C@H](COCc1cccnc1)CCS2(=O)=O 306145014 ZURZZOURJMOODW-HNNXBMFYSA-N 368.455 0.650 0 40 FCAB CCOC(=O)c1cc(S(=O)(=O)N2CCn3cnnc3C2)ccc1C 509461203 FCNAJIQOHCYNLW-UHFFFAOYSA-N 350.400 0.968 0 40 FCAB CC[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 562296461 LPRIMZAVBWRRSL-UONOGXRCSA-N 358.460 0.902 0 40 FCAB CN(C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575426217 OSDPQFZFEFHLTR-CYBMUJFWSA-N 369.468 0.889 0 40 FCAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CC(=O)N(C4CC4)C3)cc21 584385311 HPXHCVDPUXPIGC-JTQLQIEISA-N 363.439 0.958 0 40 FCAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)NC1CCCC1 8848940 YVIZISYQADUKLF-UHFFFAOYSA-N 373.388 0.755 0 40 FCAB Cc1cc(NC(=O)C(=O)NC2CCCC2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039824 IHQKFYZHZWGJGR-UHFFFAOYSA-N 370.413 0.750 0 40 FCAB O=C(Cn1c(=O)[nH]c2sc3c(c2c1=O)CCCC3)NC[C@@H]1CCCO1 9136484 NEPVYCGSLIQKBF-JTQLQIEISA-N 363.439 0.925 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1 18175124 JKWMCEJZVDRJDR-UHFFFAOYSA-N 362.415 0.478 0 40 FCAB Cc1c(-c2cc(C(=O)N3CCN(CC(=O)N(C)C)CC3)on2)cnn1C 19554194 CUSRQUWYUYWUNX-UHFFFAOYSA-N 360.418 0.230 0 40 FCAB Cc1cccc2nc(C(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)cn12 52994426 JTGUBFNBEYGZRS-LBPRGKRZSA-N 364.427 0.018 0 40 FCAB COc1ccccc1N1CCN(CCNC(=O)C(=O)NC(C)(C)C)CC1 56997898 SSNUWEFIKWXVKY-UHFFFAOYSA-N 362.474 0.848 0 40 FCAB COc1ccc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1F 58140595 KRZZXYJFZUYPOD-UHFFFAOYSA-N 374.438 0.533 0 40 FCAB CS(=O)(=O)N1CCC(CNC(=O)NC[C@H](O)c2cccc(F)c2)CC1 58210741 KMRHYFWUFMBCQO-HNNXBMFYSA-N 373.450 0.830 0 40 FCAB CN(Cc1c(F)cccc1Cl)C(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1 95446822 KDSJKROEARWWOI-CYBMUJFWSA-N 368.796 0.674 0 40 FCAB Cc1oncc1C(=O)N1CCO[C@@]2(COCCN(c3ncccn3)C2)C1 96229490 SCVYWKHGRJCFGQ-KRWDZBQOSA-N 359.386 0.521 0 40 FCAB Cc1ccc(C(=O)O)cc1N1C(=O)C[C@@H](SC[C@@H](N)C(=O)O)C1=O 101273490 NXIDAJAGJUBSJQ-MWLCHTKSSA-N 352.368 0.470 0 40 FCAB CCOC(=O)CCC(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225601157 ASJPNFRHEZZYHB-UHFFFAOYSA-N 362.430 0.847 0 40 FCAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@@H](Oc2cnccn2)C1 225796199 QNMDSLWLOFIWCS-UKRRQHHQSA-N 360.414 0.484 0 40 FCAB CN1CC[C@@H](O)[C@@H]2[C@@H](C1)N(S(=O)(=O)N(C)C)C[C@H]2c1ccccc1 257273900 NIQXSSQVXYANEA-HZMVEIRTSA-N 353.488 0.573 0 40 FCAB Cc1nc(C)n(CCC(=O)N2CCN(Cc3ccccc3)[C@@H](C(N)=O)C2)n1 257343714 ZUCURCMMFYHSNR-QGZVFWFLSA-N 370.457 0.483 0 40 FCAB Cc1cc(CN2C[C@H]3OC[C@@H](CNS(=O)(=O)C4CC4)[C@H]3C2)n(C)n1 306136277 POLTUSCVVJOAPG-DAXOMENPSA-N 354.476 0.257 0 40 FCAB O=C1NC2(CCN(C(=O)c3cnccn3)CC2)[C@H]2CN(CC3CC3)C[C@@H]12 585106011 DBHRDFLMCNTBTM-CABCVRRESA-N 355.442 0.539 0 40 FCAB COCCN1CC2(CCC1=O)CCN(C(=O)c1ncc(OC)cn1)CC2 1565546251 XIEAMLDTMNLNOS-UHFFFAOYSA-N 362.430 0.976 0 40 FCAB CN1CCN(c2ncc3c(n2)[C@H]2CC[C@H]3N(C(=O)C3CC(O)C3)C2)CC1 1565546950 BYJSXRBBEDHTDH-WLIAPVHPSA-N 357.458 0.760 0 40 FCAB O=C1CO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1cccnc1 1614927408 PRYVIEZUAZQXQN-KRWDZBQOSA-N 363.389 0.935 0 40 FCAB CCCCCOC(=O)Nc1nc(=O)n([C@H]2O[C@@H](C)[C@H](O)[C@@H]2O)cc1F 1539037 GAGWJHPBXLXJQN-DJFWLOJKSA-N 359.354 0.760 0 40 FCAB N=C(N)NCCC[C@H](NC(=O)CN)C(=O)Nc1ccc2ccccc2c1 2561004 CINAWZLZLRIIIU-HNNXBMFYSA-N 356.430 0.485 0 40 FCAB COC(=O)CNC(=O)CCCC(=O)N1CCN(c2ccc(F)cc2)CC1 4704274 ORYMHTLRXXLDES-UHFFFAOYSA-N 365.405 0.934 0 40 FCAB O=C(COC(=O)CN1CCSC1=O)NC(=O)NCc1ccccc1 5322993 QKKPZYLVVYTBAE-UHFFFAOYSA-N 351.384 0.724 0 40 FCAB COc1cc(NC(=O)CN2CCCC[C@@H]2C(N)=O)cc(OC)c1OC 9051494 RRUSNMXBRJFEGM-GFCCVEGCSA-N 351.403 0.991 0 40 FCAB C[C@@H](C(=O)N1CCN(C=O)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O 10284551 MNYYYQDVUTZLHU-LBPRGKRZSA-N 373.862 0.795 0 40 FCAB O=C(CCNC(=O)Cc1n[nH]c(=O)c2ccccc12)NCc1cccnc1 13685696 MNYHNLDGCNQIJX-UHFFFAOYSA-N 365.393 0.683 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)c2ccc[nH]2)CC1 14094169 LJTYNRNDBOMLRJ-UHFFFAOYSA-N 352.416 0.809 0 40 FCAB O=C(Cn1cncn1)N1CCO[C@H](C(=O)N2CCc3ccccc3C2)C1 19747720 IWKIEHWROCLCRE-INIZCTEOSA-N 355.398 0.090 0 40 FCAB O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 31248081 OVMUTIFKKUNSTI-UHFFFAOYSA-N 357.407 0.161 0 40 FCAB CC/C=C\C[C@@H]1[C@H](CC(=O)O)CC[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 35465098 GJZJZRWFRZFTEE-HEBRMLFTSA-N 374.430 0.029 0 40 FCAB biogenic,in-vitro O=C(C[C@@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc(Cl)cc1 71282697 YANKYXITMCQUQE-ZDUSSCGKSA-N 369.849 0.979 0 40 FCAB COCCN(Cc1noc(CCC(=O)O)n1)S(=O)(=O)c1ccccc1 78400957 QFQZWRVYUGPASR-UHFFFAOYSA-N 369.399 0.924 0 40 FCAB COC(=O)c1ccsc1N1CC[C@@H](N2CC[C@H](S(N)(=O)=O)C2)C1=O 83897541 BURNBBHOPJRJAJ-GXSJLCMTSA-N 373.456 0.003 0 40 FCAB O=C(CCn1ncc2ccccc21)N1CC[C@@](O)(CN2CCOCC2)C1 257292837 QNDSFGIAWUEVEK-LJQANCHMSA-N 358.442 0.722 0 40 FCAB Cc1cc(N2Cc3cncn3[C@@H](COCC(=O)N(C)C)C2)n2ncnc2n1 306134647 NUIPVSRUUIXHIH-CQSZACIVSA-N 370.417 0.295 0 40 FCAB Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H]1CS(=O)(=O)C[C@@H]1O 575426525 UWEXXEZZFVFTLY-QWRGUYRKSA-N 353.849 0.427 0 40 FCAB O[C@H]1CN(Cc2cccc(CN3CCOCC3)c2)C[C@@H]1N1CCOCC1 585273021 OMNSAPKOHVUCBN-PMACEKPBSA-N 361.486 0.396 0 40 FCAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1OCCc2ccccc21 643432551 UDZYIPACZNFNRI-ZIAGYGMSSA-N 353.396 0.401 0 40 FCAB CN(CCN1CCCC1=O)S(=O)(=O)c1ccc2c(c1)C(=O)CCO2 668120001 KBFKCVOITBOUKV-UHFFFAOYSA-N 352.412 0.895 0 40 FCAB COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[S@](=O)C(C)(C)CC1)CC2 1230165380 YJOOCHZJLFKGET-VDBVYFBLSA-N 369.491 0.682 0 40 FCAB COC(=O)Cc1nnc2n1-c1ccccc1-n1c(CC(=O)OC)nnc1-2 1393891 LQXDABYNVGAVRE-UHFFFAOYSA-N 354.326 0.259 0 40 FCAB CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N(C)CCc2ccccc21 1553254 PKXWXXPNHIWQHW-MAZHCROVSA-N 361.442 0.380 0 40 FCAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)C(=O)O)C2)cc1 6645528 MULMVAYHPYDXBR-NWDGAFQWSA-N 370.427 0.685 0 40 FCAB O=C(Nc1ccccc1F)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 8922353 GAFXIXRQJAMDPK-LBPRGKRZSA-N 369.418 0.937 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@H]3CCCC[C@H]31)c(=O)n2C 9156897 SQOQMSQOTBAADT-CHWSQXEVSA-N 359.430 0.615 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCC2=O)c1 12933786 KGZXLSYFEJBXTH-UHFFFAOYSA-N 355.416 0.028 0 40 FCAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCCN(C)CC2)cc1 12979808 MKAJJAGCTRQXFV-UHFFFAOYSA-N 369.487 0.918 0 40 FCAB CCN1C(=O)C[C@@H](N2CCC(Nc3ccc(F)cc3)(C(N)=O)CC2)C1=O 18217993 BASWWZKFLWTKNX-CQSZACIVSA-N 362.405 0.705 0 40 FCAB O=C(CSc1ccccn1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22760978 ALIIMZPALTXEKM-CYBMUJFWSA-N 355.485 0.505 0 40 FCAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(OC)c(OC)c1 25358007 VUFAIEZVOMHTLJ-CQSZACIVSA-N 370.471 0.829 0 40 FCAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 27604559 WATXNUCKNJZLHA-HNNXBMFYSA-N 359.469 0.852 0 40 FCAB CNCCCNC(=O)c1nc(CC(=O)Nc2ccc(F)cc2F)no1 36360962 QPQTWPFOCVHQLO-UHFFFAOYSA-N 353.329 0.868 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 42394402 RWVBIFSTKXICRG-WCVJEAGWSA-N 353.463 0.002 0 40 FCAB COc1nn(C)cc1C(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 44003583 YIUDLIRTKJHCQO-UHFFFAOYSA-N 356.448 0.363 0 40 FCAB CC(=O)NC1(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCCCC1 68117504 GHJBBUSIAFQVQW-AWEZNQCLSA-N 359.492 0.613 0 40 FCAB CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1snnc1C 72324297 SBGVMFWDSBDBFO-LLVKDONJSA-N 359.415 0.798 0 40 FCAB Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 81065148 HILUYBFVJDOTIZ-AWEZNQCLSA-N 361.427 0.686 0 40 FCAB O=C(NCc1cccnc1)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96105252 KDQGUVITMCBPHY-HNNXBMFYSA-N 364.413 0.985 0 40 FCAB CN(C)CCN1[C@@]2(CCN(S(C)(=O)=O)C2)c2ccccc2S1(=O)=O 96143078 JZFJLRSDMSWBTD-OAHLLOKOSA-N 373.500 0.113 0 40 FCAB CS(=O)(=O)N1CC[C@H]2O[C@H](C(=O)NCCc3ccncc3)CC[C@H]21 96186994 XRUCPPBFUQUMGK-KFWWJZLASA-N 353.444 0.322 0 40 FCAB CN1CCN(C(=O)c2ncn3c2CNS(=O)(=O)c2ccccc2-3)CC1 96266075 ROEQDQXRGBTJBR-UHFFFAOYSA-N 361.427 0.052 0 40 FCAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCO4)CCO2)cn1 97046829 CJTYULPEZQOXDX-OAHLLOKOSA-N 351.384 0.911 0 40 FCAB COC(=O)C1=NN(CCC(C)=O)[C@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]12 100944492 PQTJGXRJALZIPU-GOEBONIOSA-N 371.393 0.985 0 40 FCAB COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@H]2C[C@@H]1[C@@H]1[C@@H]2N1S(=O)(=O)c1ccccc1 104092595 JXWUAKPSMRTVHW-GXYBRJDSSA-N 365.407 0.656 0 40 FCAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(c3cc(OC)ncn3)C2)OC1 247888050 LNAFWSNYKVFWSL-LBPRGKRZSA-N 356.448 0.410 0 40 FCAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1cccnc1)CC2 247918762 ZXWSRGUTRSTVKQ-OAHLLOKOSA-N 367.471 0.842 0 40 FCAB CNc1nc([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)nc2c1CCN(C)C2 257216673 CVQDSEWDTNATTD-CYBMUJFWSA-N 372.473 0.445 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCn2ccnc2)cc1 263641839 BPSKZLOYWPHSJZ-ZDUSSCGKSA-N 366.443 0.765 0 40 FCAB O=C(CCn1cnnn1)Nc1cccc(N2CCCCS2(=O)=O)c1 524733397 OFBVZYUYNIDHKI-UHFFFAOYSA-N 350.404 0.632 0 40 FCAB CC(C)S(=O)(=O)N1Cc2cncn2[C@H](C(=O)NCc2ccco2)C1 575403453 LCYZFLHLXIJWND-AWEZNQCLSA-N 352.416 0.887 0 40 FCAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(CO)CC2)C1 585290932 HIPIGCBMVMQPGV-QUCCMNQESA-N 362.470 0.258 0 40 FCAB C[C@@H](CC(=O)O)N1CCN(C(=O)CN2C(=O)CCc3ccccc32)CC1 630225555 RVXBXXYZLHXVRH-AWEZNQCLSA-N 359.426 0.973 0 40 FCAB Cc1cc(CNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)ncn1 669658812 BJXZYZMDAQMEIW-UHFFFAOYSA-N 367.475 0.885 0 40 FCAB Cc1ccccc1NCCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 674545127 RNPUSRJWWGLYMC-UHFFFAOYSA-N 374.485 0.800 0 40 FCAB O=C(CN1CCOCC1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037908916 GKJNENQEKUTFSE-GOSISDBHSA-N 352.406 0.890 0 40 FCAB Cc1noc(CC(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)n1 2055772318 VXZHTBFCCJUUCS-UHFFFAOYSA-N 358.402 0.367 0 40 FCAB Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)NC2CC2)cc1 4285022 KYXUHZTWZGJWEK-LBPRGKRZSA-N 354.428 0.874 0 40 FCAB C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NC(N)=O 5572393 KOEUJPVACWMCOG-JTQLQIEISA-N 365.361 0.805 0 40 FCAB CCOC(=O)CCCNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 6974645 KTNGCYWOKWBMFE-LJQANCHMSA-N 373.409 0.839 0 40 FCAB COc1cc2oc(=O)c(CC(=O)NC[C@@H](O)CO)c(C)c2cc1Cl 13628320 ABRIWMCUYMFKRH-SECBINFHSA-N 355.774 0.775 0 40 FCAB COc1cc(/C=c2/sc3n(c2=O)C(=O)C[C@H](C)N=3)cc(OC)c1OC 16608393 XENVPCYOFFLNNY-ITTMYVLYSA-N 362.407 0.816 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccco2)c1 25704598 ZUCPPUSFMBQUOK-UHFFFAOYSA-N 367.427 0.788 0 40 FCAB CC[C@]1(c2ccc(NC(=O)C(=O)NC[C@H](C)O)cc2)CCC(=O)NC1=O 36569393 ZNOMPDGVCLQMCG-BBATYDOGSA-N 361.398 0.207 0 40 FCAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCC(=O)N1CCC[C@@H](C)C1 58223186 DLOMPRMDWLIVMO-LLVKDONJSA-N 373.461 0.631 0 40 FCAB COC(=O)Cc1nnn(CC(=O)Nc2cccc(N3CCCC3=O)c2)n1 58304788 DGHGFOXMNWCHAZ-UHFFFAOYSA-N 358.358 0.154 0 40 FCAB Cn1ncc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1-n1cccc1 83014435 XEWJMNCZQFBBGI-OAHLLOKOSA-N 357.414 0.721 0 40 FCAB Cc1ncn(CCNS(=O)(=O)CCOc2ccc(F)cc2)c(=O)c1C 86071714 AQHOVUNPPGUIMU-UHFFFAOYSA-N 369.418 0.998 0 40 FCAB O=C(N[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1)c1cccnc1 96117016 KPPSKORLAHFKCF-CVEARBPZSA-N 373.434 0.856 0 40 FCAB CC(=O)N1CCC2(CC1)CC[C@@]1(C(=O)N(C)C)CN(S(C)(=O)=O)C[C@@H]21 96143742 MADKREAJEQEOJD-WMLDXEAASA-N 371.503 0.375 0 40 FCAB CCn1ncc(Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O 102616423 TWGHYTJAZCJWAQ-FDOIEUKUSA-N 372.834 0.802 0 40 FCAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](C)(C(=O)OC)N[C@H]2c1ccc(O)c(OC)c1 245230247 OAKOMGPFBPBMBT-MOROJQBDSA-N 362.382 0.598 0 40 FCAB CN(C)C(=O)[C@H]1COC2(CN(Cc3nccs3)C2)CN1CC1CC1 248004561 OHCJAAPHBVSCQV-CQSZACIVSA-N 350.488 0.897 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 257217157 CXTYCDWASFMYQL-IRXDYDNUSA-N 353.488 0.676 0 40 FCAB Cn1cc(C(=O)N2CCC[C@@H](Cc3[nH]ncc3S(C)(=O)=O)C2)cn1 257262035 LJTKVJWXCYRZAX-NSHDSACASA-N 351.432 0.642 0 40 FCAB CN1CCC[C@@H](NC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)C1=O 527972134 NIFVVUYYOXJEAW-DGCLKSJQSA-N 351.428 0.478 0 40 FCAB CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1 546698232 ZGICFYWZBLYWRA-GOEBONIOSA-N 370.471 0.436 0 40 FCAB O=C(NCCCn1ccnc1)C1=NO[C@]2(CCCN(c3cnccn3)C2)C1 585101243 QFCJMYLALRRKJX-GOSISDBHSA-N 369.429 0.995 0 40 FCAB COCCCN(C(=O)c1ccc(C(=O)O)nc1)[C@H]1CCS(=O)(=O)C1 640387341 PWGAQJJQCIIRIJ-LBPRGKRZSA-N 356.400 0.446 0 40 FCAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1146166978 JBGTWHMBPTVMAY-OKILXGFUSA-N 370.438 0.881 0 40 FCAB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1ccc(O)nn1)C2 1565555355 YFEFVABLUOKPJY-UHFFFAOYSA-N 372.429 0.948 0 40 FCAB Cc1cc(Cn2nnc(-c3ccc(C(N)=O)cc3)n2)ccc1-c1nn[nH]n1 1591978070 SDKLGWMWYMWGJP-UHFFFAOYSA-N 361.369 0.976 0 40 FCAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2cc(C)nn2C)CC1 2055708120 LHHKFBWBROSJBS-UHFFFAOYSA-N 360.462 0.679 0 40 FCAB COCCNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)CN(C)C)C1 2055746497 OIJHNZDGIHYDHY-GOSISDBHSA-N 366.437 0.533 0 40 FCAB Cn1cc(S(=O)(=O)NCCCOC2CCCCC2)c(=O)n(C)c1=O 8746156 RTHXBGQVMOHOHF-UHFFFAOYSA-N 359.448 0.102 0 40 FCAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)NC1CCCC1)c(=O)n2C 9571651 DPORFTFWMFKKJI-UHFFFAOYSA-N 360.414 0.861 0 40 FCAB Cn1c(=O)c2c(nc3n(CCCO)c(-c4ccccc4)cn23)n(C)c1=O 12342297 PBPNXYZORGXMFR-UHFFFAOYSA-N 353.382 0.736 0 40 FCAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 12750324 UAPXSGMXHDYFNN-QGZVFWFLSA-N 365.353 0.640 0 40 FCAB COc1ccccc1-n1nnc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1C 19557829 CKPHEDOGRGTOTD-MRXNPFEDSA-N 364.427 0.891 0 40 FCAB NC(=O)Cc1ccc(OCc2noc(C(=O)NC[C@@H]3CCCO3)n2)cc1 20728819 SLXNIJKIFVFAEL-ZDUSSCGKSA-N 360.370 0.585 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc(F)cc1Cl 25023059 JFDACIYFLGSCQZ-NSHDSACASA-N 358.753 0.748 0 40 FCAB CN(C)c1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cn1 46166323 VUJGRTQNIWKIGW-AWEZNQCLSA-N 352.460 0.093 0 40 FCAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccnc(N2CCOCC2)c1 48276567 DKAOFYNKJLPFIY-ZDUSSCGKSA-N 358.398 0.946 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)NCCn1c(=O)oc2cccnc21 72342230 ZILRVTSKBJPTNE-UHFFFAOYSA-N 365.349 0.516 0 40 FCAB O=C(Cc1ccc(-n2cnnn2)cc1)NCCn1c(=O)oc2cccnc21 72343069 FRRYBHSGDRTPSB-UHFFFAOYSA-N 365.353 0.324 0 40 FCAB CC1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 84698028 BPBZZVWXWBOAMW-CVEARBPZSA-N 358.504 0.913 0 40 FCAB OC[C@@H]1O[C@@H](n2cnc3c(/C=C(/O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O 100135123 MHMCIRXDRBTNOZ-BFWHNJMASA-N 370.365 0.494 0 40 FCAB in-vitro COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCCC2)cc1 224383021 OFQAQTNLCZVIIT-UHFFFAOYSA-N 369.487 0.918 0 40 FCAB CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@@H]2CN(C)S3(=O)=O)cc1 225947587 MPZYLYXZFASIEX-BZNIZROVSA-N 368.411 0.601 0 40 FCAB C[C@H](CNS(=O)(=O)c1ccc(C(=O)O)cc1F)CN1CCOCC1 273691059 MDDKQZSTYKDPMZ-LLVKDONJSA-N 360.407 0.771 0 40 FCAB Cc1noc(CC(=O)N2C[C@H]3CCN(Cc4cccnc4)C(=O)[C@H]3C2)n1 585107836 LMFIZSGPOMMFEY-CABCVRRESA-N 355.398 0.823 0 40 FCAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2cnco2)CC1 1772595214 COSHTKHDUNBNQV-OAHLLOKOSA-N 373.457 0.475 0 40 FCAB Cc1nc2ncnn2c(N2CCO[C@@H](C(=O)N3CCSCC3)C2)c1C 1888860003 MCFAMIDFPPWCLK-CYBMUJFWSA-N 362.459 0.522 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cn[nH]c5)C[C@H]4C3)nn12 1888904418 YHFJOJIVIRCXKS-BETUJISGSA-N 352.402 0.618 0 40 FCAB O=C1C[C@@H](Cn2cc(C(=O)N3CCOCC3)nn2)CN1Cc1ccccc1 1889152003 CGZMOMRVNIQNOK-MRXNPFEDSA-N 369.425 0.799 0 40 FCAB Cn1ccc(=NC(=O)C2(n3ccnc3)CCN(C(=O)C3CC(F)C3)CC2)[nH]1 2055713594 MBCZQGUCOVLCAP-UHFFFAOYSA-N 374.420 0.743 0 40 FCAB CC(=O)c1cc(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)n[nH]1 2055713700 ZYYYQYCYKCXNIJ-UHFFFAOYSA-N 354.374 0.147 0 40 FCAB CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@H](CC(C)C)C(=O)O)CC1 4081163 VKCFPASEIRYKAH-UONOGXRCSA-N 373.519 0.921 0 40 FCAB biogenic OC[C@@H]1O[C@@H](Nc2ccc(OC(F)(F)Cl)cc2)[C@@H](O)[C@H](O)[C@@H]1O 4185244 HYAPWJKIBHNHTO-MTVMDMGHSA-N 355.721 0.066 0 40 FCAB Cc1ccccc1N1CCCn2c1nc1c2c(=O)n(CC(=O)O)c(=O)n1C 4370740 LBORYWIDGOPJPV-UHFFFAOYSA-N 369.381 0.832 0 40 FCAB CCOC(=O)c1sc2ncn(CC(=O)NC(=O)NC)c(=O)c2c1C 6327459 MLNSEXPWCLDHIE-UHFFFAOYSA-N 352.372 0.399 0 40 FCAB N=C(N)NC(=N)Nc1ccc(Cc2ccc(NC(=N)NC(=N)N)cc2)cc1 8614397 KTKDIFBZNCZBBQ-UHFFFAOYSA-N 366.433 0.937 0 40 FCAB COCCCn1c(SCC(=O)Nc2sccc2C(N)=O)n[nH]c1=O 9836267 FRGUCLNQPVDGHP-UHFFFAOYSA-N 371.444 0.499 0 40 FCAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2cnccn2)C3)CC1 12181539 WJBSOAYWPRDFNH-UHFFFAOYSA-N 354.414 0.995 0 40 FCAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)CN3C(=O)CCC3=O)cc2n1 12276511 JTDRDCMHURCMND-ZDUSSCGKSA-N 371.397 0.810 0 40 FCAB CCOC(=O)/C=C/C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 12868076 WZLQYSFWQFVFDL-AATRIKPKSA-N 364.354 0.227 0 40 FCAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nc(CNC)cc(N(C)C)n1 19760814 SSONAGPXWAFUFF-CQSZACIVSA-N 370.523 0.986 0 40 FCAB COC(=O)c1sccc1NC(=O)C(=O)NCCCN1CCN(C)CC1 22935508 IOWCVQLPNYAYFY-UHFFFAOYSA-N 368.459 0.227 0 40 FCAB CCOc1ccc(NC(=O)[C@H](C)N2CCN(S(C)(=O)=O)CC2)cc1 24509391 HOFNOSPYFDEMRI-ZDUSSCGKSA-N 355.460 0.990 0 40 FCAB O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 32753584 MSHSUBVBQAQGAU-UHFFFAOYSA-N 355.350 0.702 0 40 FCAB O=S(=O)(N1CCOCC1)N1CCN(Cc2cccc(F)c2F)CC1 32770148 DRTBXPLOBHTAAL-UHFFFAOYSA-N 361.414 0.659 0 40 FCAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O 33330709 CKNXXLJIXFLDMN-UHFFFAOYSA-N 352.372 0.004 0 40 FCAB CCOC(=O)N1CCN(C(=O)[C@H](C)n2nnc3ccccc3c2=O)CC1 44448985 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CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)N1CCN(C(C)=O)CC1 225400807 OQXCBUIJKDAHMN-ZWKOTPCHSA-N 372.469 0.629 0 40 FCAB biogenic,in-vitro CCOc1ccc(-n2nc(C(=O)O)c(N3CCN(CCO)CC3)n2)cc1 256048409 STPMQPAAEYITHH-UHFFFAOYSA-N 361.402 0.479 0 40 FCAB CN1CCCN([C@H]2CCN(C(=O)CC3CCOCC3)CC[C@@H]2O)CC1 257228702 FUWZCKDRLCPARD-ROUUACIJSA-N 353.507 0.793 0 40 FCAB COc1ccc(C(=O)N2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 257289868 QANJPNOSGYCEIO-LLVKDONJSA-N 350.400 0.847 0 40 FCAB Cc1cc(C)n(CCCC(=O)N2CC[C@](O)(CN3CCOCC3)C2)n1 257304104 SKCAMUUPUJIOMC-SFHVURJKSA-N 350.463 0.576 0 40 FCAB COCCNC(=O)N[C@H]1CO[C@@H](CN(C)CCc2ccccc2)[C@@H]1O 514289039 OPEUZBUKPAGART-YESZJQIVSA-N 351.447 0.235 0 40 FCAB biogenic,in-vitro CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1c[nH]c(C)cc1=O 524732173 BIAYAKVNWLTWQP-HNNXBMFYSA-N 355.394 0.762 0 40 FCAB biogenic CNc1cc(C)nc([C@H]2CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)c1 585181904 KIVMYQJNXLQEDT-LBPRGKRZSA-N 357.414 0.459 0 40 FCAB O=C(NCc1cccnc1)C1=NO[C@@H]2CN(C(=O)CC3(O)CCC3)C[C@H]12 1565545752 NRFQXKRIXAHMMD-UONOGXRCSA-N 358.398 0.216 0 40 FCAB CCCNC(=O)c1n[nH]c2c1C[C@H](CNC(=O)CC1(O)CCC1)OC2 1565553660 HGLUCSACNIJKIN-LLVKDONJSA-N 350.419 0.412 0 40 FCAB CCc1nc(N2C[C@H]3CN(C(=O)c4cnn(C)c4)C[C@@H]3C2)nc(O)c1F 1888864016 UGKKYVMWHOXPGV-VXGBXAGGSA-N 360.393 0.826 0 40 FCAB Cc1cc(N2CCN(c3cc(=O)n(C)c(O)n3)CC2)nc(N2CCCC2)n1 1889101157 DMLBHLBHGRVWKI-UHFFFAOYSA-N 371.445 0.511 0 40 FCAB Cc1cncc(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4ccon4)C3)C2)n1 2056226189 MPZUFGRCSQXMBN-AEFFLSMTSA-N 373.413 0.449 0 40 FCAB C[C@]1(O)C[C@](O)(C(=O)c2cc(O)cc(O)c2)c2c(O)cc(O)cc2C1=O 2332243377 NKEWORGBFVYRNX-ZWKOTPCHSA-N 360.318 0.917 0 40 FCAB O=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)c1ccc(F)cc1 6817808 LWCSOANDIKCGGL-UHFFFAOYSA-N 372.403 0.950 0 40 FCAB CCOc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OCC(=O)O 6965060 IRALSKPPVXUTLU-UHFFFAOYSA-N 362.338 0.983 0 40 FCAB O=C1CN(C(=O)CSc2nnnn2C2CC2)C2(CCCCC2)C(=O)N1 8545243 GJDHFMJHRWHKSS-UHFFFAOYSA-N 364.431 0.288 0 40 FCAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)NCCc2ccccc2)C(=O)N1 9939527 HRVBDDMXWSUJGR-KBPBESRZSA-N 350.440 0.899 0 40 FCAB O=C(NC1CC1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12030895 LFAZKZSKFDFVAS-LLVKDONJSA-N 361.416 0.679 0 40 FCAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCc1nnc2ccccn12 13121565 XLBXQQFZOXRQRY-STQMWFEESA-N 353.382 0.687 0 40 FCAB COC(=O)[C@H](CCSC)NC(=O)Cn1nnc2ccccc2c1=O 15760706 ZKARTZROVMRZLT-LBPRGKRZSA-N 350.400 0.202 0 40 FCAB O=C(CN1CCC(C(=O)N2CCOCC2)CC1)NCc1cccs1 16340049 QPFWXZZJWOYXAX-UHFFFAOYSA-N 351.472 0.935 0 40 FCAB Cc1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1C1CC1 16695554 JJQZGJKIEQYXNB-GFCCVEGCSA-N 354.428 0.900 0 40 FCAB CC1CCN(CC2(NC(=O)CN3CCNC(=O)C3)CCCCC2)CC1 19660368 BPCJOPOGUMUMET-UHFFFAOYSA-N 350.507 0.969 0 40 FCAB CC[C@@H]1C(=O)NCCN1C(=O)CN1C(=O)COc2c(Cl)cccc21 19661096 OLTMEITXTOUDSM-LLVKDONJSA-N 351.790 0.802 0 40 FCAB CNc1nc(C2CCN(C(=O)CN(C)C)CC2)nc2c1CCN(C(C)=O)C2 19711560 XKVPZURJWGZKMW-UHFFFAOYSA-N 374.489 0.691 0 40 FCAB CCOc1ccc(OC[C@H](O)CN2CCNC(=O)[C@@H]2CC(=O)OC)cc1 21842457 UEEZDBNVQXGXJK-CJNGLKHVSA-N 366.414 0.189 0 40 FCAB CCOc1ncccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 23101896 YDLNAGBJJPTWBX-UHFFFAOYSA-N 362.411 0.594 0 40 FCAB CCc1noc(C)c1C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 24282385 MBJBBDFYBWMUPH-UHFFFAOYSA-N 361.358 0.150 0 40 FCAB COC(=O)CN(C(=O)Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 32641282 JQXGVGNZCLKKAX-ZDUSSCGKSA-N 355.412 0.426 0 40 FCAB COc1ccc(CNC(=O)Cn2c(N3CCOCC3)nc(C)cc2=O)cc1 49411143 FNGMZKUIYZCWOP-UHFFFAOYSA-N 372.425 0.713 0 40 FCAB CCc1nc2ccccc2n1CC(=O)N1CCN(S(C)(=O)=O)CC1 53324528 YWRQQNCFSXJSOD-UHFFFAOYSA-N 350.444 0.703 0 40 FCAB Cc1nn(C)c(C)c1S(=O)(=O)NCCC(=O)N1C[C@@H](C)O[C@H](C)C1 53668163 VSXDRUXCFLLXDG-GHMZBOCLSA-N 358.464 0.341 0 40 FCAB CCOC(Cn1cc(C(=O)NCC(C)(C)N2CCOCC2)nn1)OCC 69970675 ZGCJPQLXTIRTSX-UHFFFAOYSA-N 369.466 0.518 0 40 FCAB O=C(C[C@@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccccc1F 71279818 QVLXYLBCYGSNKC-ZDUSSCGKSA-N 353.394 0.465 0 40 FCAB C[C@H](NC(=O)NC(=O)CSc1nc(N)nc(N)n1)[C@@H]1C[C@H]2CC[C@H]1C2 108845917 TYTOOKWAQOLAKV-XKNYDFJKSA-N 365.463 0.779 0 40 FCAB CS(=O)(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 247511881 IOCAVIDXDDFJDP-CQSZACIVSA-N 356.448 0.132 0 40 FCAB Cc1cc(OC2CN(C(=O)Cn3ncccc3=O)C2)cc(=O)n1C1CC1 252478439 AMKMQGJDYAGIKS-UHFFFAOYSA-N 356.382 0.338 0 40 FCAB COCC(=O)N1C[C@]2(NC(C)=O)CN(C(C)=O)CC[C@@H]2[C@H]1c1ccccc1 257327026 WZOISIFENJZWOJ-MISYRCLQSA-N 373.453 0.960 0 40 FCAB O=C(NC[C@H](N1CCNCC1)C(F)(F)F)N1CCO[C@@H]2CCC[C@@H]21 333485170 COQRQSVIPRUMAM-XQQFMLRXSA-N 350.385 0.785 0 40 FCAB Cc1nc(Cn2nnc(NC(=O)c3cnc(C4CC4)nc3N)c2C)no1 511163993 AWYUWPXLHVFZBO-UHFFFAOYSA-N 355.362 0.828 0 40 FCAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)c3ccnnc3)cc2NC1=O 585280763 AJZVMMMCDRGCAZ-LBPRGKRZSA-N 362.367 0.705 0 40 FCAB COCC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585284801 JCWJHOCWAQJMIW-MRXNPFEDSA-N 356.806 0.838 0 40 FCAB COc1ccc([C@@H]2C[C@H]2C(=O)N2Cc3nnc(O)n3C[C@@H]2C(=O)O)cc1 663058253 XIMDZTDTKLPSGF-YNEHKIRRSA-N 358.354 0.591 0 40 FCAB CC(=O)NCCNC(=O)CC1(c2oc(C)cc(=O)c2O)CCOCC1 1547139696 YACQEFOUQBAWKB-UHFFFAOYSA-N 352.387 0.344 0 40 FCAB biogenic CC(C)CNC(=O)c1c2c(nn1C)CO[C@@H](CNC(=O)c1cc[nH]n1)C2 1565547855 OPPXBEVPDHNEHU-LLVKDONJSA-N 360.418 0.400 0 40 FCAB CCc1nc(N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)nc(O)c1F 1888901068 WEGDYQICVNJJGV-GHMZBOCLSA-N 370.392 0.894 0 40 FCAB CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1CCC(C)(C)C 2332241992 GTZQPCHMMGCBGB-JYJNAYRXSA-N 352.479 0.349 0 40 FCAB CC(=O)c1nnn(-c2nc(N3CCCCC3)nc(N3CCOCC3)n2)c1C 1089650 IGCFDQZAIJRCHT-UHFFFAOYSA-N 372.433 0.790 0 40 FCAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NC(N)=O)C1=O 3301252 QOUIUFDAXBQKBI-CYBMUJFWSA-N 359.169 0.955 0 40 FCAB O=C(NCCS(=O)(=O)NCc1cccnc1)c1ccc2c(c1)OCO2 4330325 MSVYIZFUMNHAKV-UHFFFAOYSA-N 363.395 0.660 0 40 FCAB Cn1nnc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc21 4941851 JTJQTWBOOOQIAP-UHFFFAOYSA-N 353.386 0.809 0 40 FCAB COC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 5272385 CKNSOLHUBCRYDH-UHFFFAOYSA-N 366.395 0.243 0 40 FCAB O=c1[nH]c(=O)c2ncn(S(=O)(=O)c3ccc(Br)cc3)c2[nH]1 5895954 FVLITHMLQCNNAN-UHFFFAOYSA-N 371.172 0.412 0 40 FCAB CCCc1cc(=O)[nH]c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)n1 8670984 IAEZWTYVXOREEX-LBPRGKRZSA-N 373.500 0.850 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)O)[C@@H]2CCS(=O)(=O)C2)c1 13030271 IBIROZQRCMYZLL-GFCCVEGCSA-N 361.441 0.566 0 40 FCAB CN(Cc1ccccc1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1CCCC1 20465937 DQZAQSGGDHZKKB-YDZRNGNQSA-N 362.470 0.914 0 40 FCAB biogenic,in-vitro O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCOCC1 20736446 WSXIQUJZOWSFIP-LBPRGKRZSA-N 361.354 0.085 0 40 FCAB COC(=O)c1cc(CN(C)C(=O)Cn2cnc3c(cnn3C)c2=O)oc1C 21437532 ICIFSPMERAYPFC-UHFFFAOYSA-N 373.369 0.477 0 40 FCAB CCOC(=O)C1=C(COC(=O)CCn2nc(C)cc2C)NC(=O)NC1 23509747 MODJEGQBIMLFRF-UHFFFAOYSA-N 350.375 0.563 0 40 FCAB CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCc2ccccc21 30978196 JTIUDEKOKJHTMM-AWEZNQCLSA-N 367.409 0.580 0 40 FCAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)NCCN4CCOCC4)C3)nn12 31808227 OJZPLJUKHCURKH-OAHLLOKOSA-N 373.461 0.098 0 40 FCAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCCNC3=O)ccc21 45741361 MGHRHINYFWIDDL-CQSZACIVSA-N 351.428 0.543 0 40 FCAB COC[C@H]1C(=O)N(CC2CC2)CC12CCN(S(=O)(=O)N(C)C)CC2 96208233 CAWDTBCTDQXYIV-AWEZNQCLSA-N 359.492 0.390 0 40 FCAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCC(=O)Nc1ccc(O)cc1 109050761 YVGKMURHPSKYLI-BNBDDXAPSA-N 369.377 0.254 0 40 FCAB CC(=O)N1CCC[C@H]1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257318647 VOWGFTOSFOQODH-HOCLYGCPSA-N 359.417 0.692 0 40 FCAB Cn1ccc(C(=O)N2C[C@H]3Cn4c(nnc4C(=O)NC4CCC4)C[C@H]3C2)n1 306130227 IZNGVRPKOGPFAG-RYUDHWBXSA-N 369.429 0.238 0 40 FCAB CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)CC1(CO)COC1 548026333 YXGSHZXHEFULHY-KBPBESRZSA-N 353.442 0.400 0 40 FCAB CN1C(=O)N[C@]2(CCN(C(=O)NCc3ncnn3-c3ccccc3)C2)C1=O 563899702 AWHCJVPKOJFLDA-KRWDZBQOSA-N 369.385 0.103 0 40 FCAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CN(C)[C@H](C(=O)N(C)Cc1ccccn1)CO2 575404842 DPPXNTKMHCZBJF-PVAVHDDUSA-N 372.469 0.608 0 40 FCAB O=C(Cn1ccccc1=O)N1CCOC[C@@](O)(COc2ccccc2)C1 585278303 RORDHXIPVWAXAU-LJQANCHMSA-N 358.394 0.517 0 40 FCAB CC(C)(C[C@@H]1CCCN(C(=O)CCn2cnc3c(N)ncnc32)C1)C(N)=O 615677917 JMXCFDSTOIHPQH-LBPRGKRZSA-N 373.461 0.939 0 40 FCAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)CCn1nc(C)c(Cl)c1C 643551182 MJUDWYHYNWEWPE-IOASZLSFSA-N 359.854 0.760 0 40 FCAB CCCc1nc(CN(C)C(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)no1 1529189090 FWTRGRATAVTCEN-CVEARBPZSA-N 359.386 0.632 0 40 FCAB CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1739907683 MLMMJEHSGMVYAL-NWDGAFQWSA-N 364.450 0.214 0 40 FCAB CS(=O)(=O)CCC(=O)N1C[C@H](C(=O)NCC2CC2)C2(CCOCC2)C1 2055796108 WRZAOKOHMLSRAG-CQSZACIVSA-N 372.487 0.203 0 40 FCAB O[C@@H](c1nc2ccccc2[nH]1)[C@H](O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 3832746 UGRBLAMMQLLLQF-GEEKYZPCSA-N 354.366 0.928 0 40 FCAB in-vitro Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc3c2CCCC3)n(C)c1=O 9367147 LXCMANMLDLDFSY-UHFFFAOYSA-N 367.409 0.951 0 40 FCAB COc1ccccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12794720 GAGGPVVBWAQXDK-NSHDSACASA-N 365.411 0.799 0 40 FCAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc(N)cc(=O)[nH]1 18179303 QRJCJIMOCFDKGK-LLVKDONJSA-N 362.411 0.345 0 40 FCAB CCNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1 22024966 SYJNOMVVBNPJEL-UHFFFAOYSA-N 369.487 0.825 0 40 FCAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(Br)c[nH]2)CC1 25208088 HVKXBTMRAPTXMB-UHFFFAOYSA-N 365.253 0.341 0 40 FCAB COc1cc(N2C[C@H](C(=O)N3CCOCC3)CC2=O)cc(OC)c1OC 32779858 SZTLXHVQPMOJOL-GFCCVEGCSA-N 364.398 0.924 0 40 FCAB CC(=O)N1CCN(CCNC(=O)c2cnn(Cc3ccccc3)c2)CC1 46823976 XGYLIBRSBIYPLZ-UHFFFAOYSA-N 355.442 0.825 0 40 FCAB Cn1ncc2c(N3CCN(CC(=O)Nc4nccs4)CC3)ncnc21 58564019 ULMVUGYGEFKVJR-UHFFFAOYSA-N 358.431 0.581 0 40 FCAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)C(=O)NCC(F)(F)F 75156993 CSNYWULYEPFKTC-UHFFFAOYSA-N 361.320 0.927 0 40 FCAB O=C1NC[C@@H]2CN(C(=O)Nc3nc(-c4cccnc4)cs3)CCN2C1=O 79046215 MGTHFUMWEDLOKI-LLVKDONJSA-N 372.410 0.380 0 40 FCAB O=C(NCCN1CCOCC1)C1=NO[C@@]2(CCN(Cc3ccncc3)C2)C1 96225696 PNQMLMLWUWHGIL-IBGZPJMESA-N 373.457 0.251 0 40 FCAB Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 97012975 NNZPTXLCVSBALK-LLVKDONJSA-N 363.399 0.731 0 40 FCAB CCS(=O)(=O)CCN1C[C@H]2OC[C@H](CNC(=O)c3cccn3C)[C@H]2C1 306126001 DIQOBOMYABDWHT-SQWLQELKSA-N 369.487 0.136 0 40 FCAB CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCCc2c(C)nn(C)c2C)C1 585123202 RJLKJYRZUKCWOV-CQSZACIVSA-N 371.507 0.550 0 40 FCAB CN1C[C@]2(COCC1=O)CN(C(=O)C1(F)CC1)C[C@H]2N(C)CC1CC1 1565550177 SOMVASNCEUGOSA-RHSMWYFYSA-N 353.438 0.516 0 40 FCAB COc1cnccc1C(=O)N1CCCn2c(nnc2Cn2ccnc2)C1 1565556294 QTBZRRROJBVCCF-UHFFFAOYSA-N 353.386 0.973 0 40 FCAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)C2CC(O)C2)C1 1614931229 WYTZFINCLXMNIS-GLUHHBOGSA-N 359.426 0.475 0 40 FCAB COc1ccc(CNC(=O)[C@@H](CO)N2C(=O)c3ccccc3C2=O)cc1 1590921 LDBLAWFJIOJHMP-MRXNPFEDSA-N 354.362 0.969 0 40 FCAB NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O 2634445 DKNVCRCWOLHANY-SECBINFHSA-N 354.306 0.702 0 40 FCAB in-vitro O=C(CNC(=O)Cn1cnc2ccccc2c1=O)NCc1ccccn1 2941616 LGPYUVSCRZOIQG-UHFFFAOYSA-N 351.366 0.224 0 40 FCAB CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)N)cc2)C1=O 3951736 VJDOPFARMOLELX-ZDUSSCGKSA-N 361.402 0.328 0 40 FCAB in-man NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 4023481 WENMCEKQYRVKNH-KBPBESRZSA-N 359.382 0.791 0 40 FCAB biogenic Cc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)N[C@@H]1CCSC1=O 6667868 ADYZFCDUBXUUFT-LLVKDONJSA-N 353.429 0.590 0 40 FCAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 8709399 QTMVYMXZFOGNBP-UHFFFAOYSA-N 374.465 0.729 0 40 FCAB Cn1nc(CC(=O)Nc2nc(CC(N)=O)cs2)c2ccccc2c1=O 14331971 OZJNHEJBKGTTQP-UHFFFAOYSA-N 357.395 0.599 0 40 FCAB Cc1nnc(O)nc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 15859735 GSQGWGRTRODGSJ-UHFFFAOYSA-N 355.401 0.264 0 40 FCAB COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCCCC2)cc1 20465695 FEOOPFYVELBXNQ-VSZNYVQBSA-N 364.442 0.400 0 40 FCAB biogenic,in-vitro Cc1nnc(C)n1N1CN(N2CCN(C)CC2)c2nc3ccccc3n2C1 20637268 TWDBNFQFTIUZBT-UHFFFAOYSA-N 367.461 0.780 0 40 FCAB CS(=O)(=O)Nc1ccc(F)cc1C(=O)NCC(=O)NCc1ccco1 25070266 KYHJEOWRBBTWGT-UHFFFAOYSA-N 369.374 0.836 0 40 FCAB Cn1c(SCC(=O)N2CCC(C(N)=O)CC2)nc2ccsc2c1=O 26100246 SQWPKHVSJSGUFH-UHFFFAOYSA-N 366.468 0.811 0 40 FCAB O=C1CN(C(=O)CN2CCN(c3cnccn3)CC2)c2ccccc2N1 27629597 HRCXIXPMFPEGJX-UHFFFAOYSA-N 352.398 0.584 0 40 FCAB COCCNS(=O)(=O)c1c2c(c(OC)c3c1OCO3)CN(C)CC2 40309271 UWLOICJDDVRKJY-UHFFFAOYSA-N 358.416 0.337 0 40 FCAB biogenic C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2)CC1 52634704 ZDCMJTIRCCSCSN-HUUCEWRRSA-N 351.472 0.500 0 40 FCAB Cn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccccn2)CC3)cn1 96059513 HIRRVEOUXTWQTI-UHFFFAOYSA-N 351.414 0.957 0 40 FCAB COc1ccc(NC(=O)C(C)(C)CNS(C)(=O)=O)cc1C(=O)N(C)C 225959305 KEQUVIDUCGYREA-UHFFFAOYSA-N 371.459 0.911 0 40 FCAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)cc1 226744110 YTCQNXLGOCDKTJ-UHFFFAOYSA-N 363.395 0.711 0 40 FCAB Cc1ccc(N2C[C@@H](C(=O)N3CC(N4C(=O)CNC4=O)C3)CC2=O)cc1C 244986110 JGNMBOHAFYMWJB-ZDUSSCGKSA-N 370.409 0.419 0 40 FCAB COc1ccc(C2=NN(/C=c3\sc4ncnn4c3=O)[C@@H](C(=O)O)C2)cc1 256027987 MZGUIDMRPBWWAF-BFTHVDOESA-N 371.378 0.180 0 40 FCAB O=C(CN1CCOCC1)N1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257332676 XYFTVYWBCPLTPR-INIZCTEOSA-N 358.442 0.913 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)C2CCOCC2)CCN1CCc1ccccc1 257333339 YBEFNKCHDAFHMS-GOSISDBHSA-N 359.470 0.915 0 40 FCAB Cn1cc(CN2CC3(C2)[C@H](COc2ncccn2)CCS3(=O)=O)cn1 306145050 ZWDCCFSBDHBEND-AWEZNQCLSA-N 363.443 0.278 0 40 FCAB COCCn1nnc2c1CCN(C(=O)N[C@@H]1CC(=O)N3CCCC[C@@H]13)C2 514989125 BZHJGESMZTXTBO-OCCSQVGLSA-N 362.434 0.146 0 40 FCAB Cn1c(O)ncc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)c1=O 575618066 YPONXGAHJAABEU-SNVBAGLBSA-N 359.386 0.841 0 40 FCAB Cc1snnc1C(=O)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1ccccn1 585105023 NUNCYHWYRSJADD-YVEFUNNKSA-N 373.438 0.899 0 40 FCAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2ccc(OCCN(C)C)cc2)[C@@H]1O 585286069 ITIXLPMTDVWTEN-ZACQAIPSSA-N 352.431 0.474 0 40 FCAB COCCc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccnc2)n1 604382095 DELVIEMVSRKDHB-NCXUSEDFSA-N 372.469 0.751 0 40 FCAB biogenic,in-vitro C[C@@H](NC(=O)NC[C@@H]1CCC(=O)N1)c1ccc(S(=O)(=O)N(C)C)cc1 663756308 VHXYBKUTQNVWQE-YPMHNXCESA-N 368.459 0.576 0 40 FCAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)c4cccc(=O)n4C)C3)C2)cn1 1565550810 GCGAUWIYULMJMU-UHFFFAOYSA-N 369.425 0.544 0 40 FCAB Cn1cnc(S(=O)(=O)N2CCO[C@@H]3[C@H](Cn4cccn4)CC[C@@H]32)c1 2055719447 GIVOZNOGDDAADB-KCQAQPDRSA-N 351.432 0.485 0 40 FCAB CN(CC(=O)OCC(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1 8632030 RKHAHJURGUGNEW-UHFFFAOYSA-N 360.819 0.782 0 40 FCAB COCCCNC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 9645679 WGMFIAJFXAESNI-UHFFFAOYSA-N 359.423 0.878 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 12389617 CAWOXNUVXOVRGD-CYBMUJFWSA-N 351.428 0.143 0 40 FCAB CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)C3CC3)CN21 12530578 FPHKGVIKBINQFR-ZNMIVQPWSA-N 350.463 0.103 0 40 FCAB biogenic,in-vitro CC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15326379 AMIHDPVWFMKHIL-UHFFFAOYSA-N 372.786 0.708 0 40 FCAB COc1ccc(N([C@@H](C)C(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1 19999195 SJAIQUSWTPSZQF-ZDUSSCGKSA-N 355.460 0.624 0 40 FCAB CS(=O)(=O)N1C[C@@H](C(=O)NCCCn2ccnc2)Oc2ccccc21 30751705 VLZRQFYJOWWYCZ-HNNXBMFYSA-N 364.427 0.617 0 40 FCAB CNC(=O)[C@@H]1CCCCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 32824019 FVOQCZPDMHVYMI-AWEZNQCLSA-N 368.384 0.620 0 40 FCAB CCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 40024421 WLDKRWVKTRAYMI-SOFGYWHQSA-N 371.393 0.875 0 40 FCAB CCOC(=O)N1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1 58439513 TZRAOUSMMAJRSM-UHFFFAOYSA-N 367.431 0.740 0 40 FCAB CCN1CCC[C@H]1CNC(=O)Cn1ccc2c(nnc3ccnn32)c1=O 95475419 DGBMBBDIWQBTNF-LBPRGKRZSA-N 355.402 0.040 0 40 FCAB CN1CCN(Cc2cccnc2)[C@@]2(CCN(C(=O)c3ccc[nH]3)C2)C1=O 96076950 ANVNSQXLVZOXHR-LJQANCHMSA-N 353.426 0.969 0 40 FCAB CCc1ccc(C(=O)N2CC[C@@](O)(CN3CCN(C(C)=O)CC3)C2)cc1 257220771 DMBQNEDCJABLFL-HXUWFJFHSA-N 359.470 0.990 0 40 FCAB NCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 575420490 CFQHNNZJIADUSD-HNNXBMFYSA-N 368.480 0.976 0 40 FCAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4cnccn4)nn23)C1 1501040227 HCNASDJAHAPBOQ-SECBINFHSA-N 365.444 0.782 0 40 FCAB O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 1564622128 ZPZVFVFMTVHXAT-ZCFIWIBFSA-N 360.300 0.736 0 40 FCAB COc1ccnc(N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)n1 1889098634 AQMVZUMTDFDQHP-UHFFFAOYSA-N 371.445 0.747 0 40 FCAB O=C(Cn1ccnn1)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751304 HRXRSVGYXFEPAE-UHFFFAOYSA-N 368.441 0.984 0 40 FCAB CS(=O)(=O)CCC(=O)N1CC2(C[C@@H](NCc3cccnc3)CS2)C1 2056223682 AIEOVCICAOBABL-CQSZACIVSA-N 369.512 0.692 0 40 FCAB CC[C@H](CO)NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 3217672 KFSRLHUVIZLJRH-SBJJXXPASA-N 368.455 0.608 0 40 FCAB C[C@@H](O)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCOc1ccccc1 4317958 KTDNTAUVOYZLIQ-GFCCVEGCSA-N 373.413 0.685 0 40 FCAB CCOc1ccc(NC(=O)Cn2cnc3c(cnn3CCO)c2=O)cc1 4940504 CFMNRVNHIBGPCY-UHFFFAOYSA-N 357.370 0.623 0 40 FCAB COC(=O)CN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)NC1=S 6950136 ZFMNWPHWESQZLI-UVTDQMKNSA-N 361.423 0.754 0 40 FCAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1nnc2ccccn12 8328566 BANXLKYEOBFBLU-UHFFFAOYSA-N 356.386 0.600 0 40 FCAB C[C@H](Sc1nc2ccccc2n1C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 8808071 SDMVMUAVKHWRQG-VIFPVBQESA-N 373.438 0.916 0 40 FCAB Cn1c2ccccc2n2c(=O)n(CC(=O)NCCCN3CCCC3=O)nc12 12145276 BQLSISPCKCOTRY-UHFFFAOYSA-N 370.413 0.116 0 40 FCAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccn(C)n2)cc1 12924860 VTYDLSYRFBMRNZ-SNVBAGLBSA-N 365.415 0.684 0 40 FCAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2NC(=O)C(C)C)cc1 13681824 SVCBPUTULQOJQK-KGLIPLIRSA-N 359.469 0.707 0 40 FCAB CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2C1 19882076 HBBQNPVXANDBOR-UHFFFAOYSA-N 369.385 0.968 0 40 FCAB O=C(NCc1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)o1 28844366 RSPJIIVWJKCXJM-UHFFFAOYSA-N 351.384 0.626 0 40 FCAB CNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Br)c1 32514074 YTCSEZHGCLPRKI-UHFFFAOYSA-N 351.222 0.824 0 40 FCAB O=C(CN1CCN(C(=O)[C@H]2CCC(=O)N2)CC1)Nc1ccccc1Cl 37200158 FWZXOSVTVPENNO-CQSZACIVSA-N 364.833 0.701 0 40 FCAB COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 43730160 CEUYDHYSQVRLSX-KSVNGYGVSA-N 369.421 0.868 0 40 FCAB NC(=O)c1ccc(S(=O)(=O)N2CCN(CCc3cccs3)CC2)o1 58201059 IZLZMZYXBSXBJF-UHFFFAOYSA-N 369.468 0.989 0 40 FCAB COCCNS(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC 58225139 JAKGBNIBGMIGPB-AATRIKPKSA-N 359.400 0.815 0 40 FCAB CC(=O)N1CCC(NC(=O)Cn2nnc(-c3ccc(F)c(C)c3)n2)CC1 58265200 TYYDOCAMDCHMIK-UHFFFAOYSA-N 360.393 0.915 0 40 FCAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccc[nH]c1=O 85467620 XJDSHYUXBYJFEO-CQSZACIVSA-N 358.373 0.880 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3cnccn3)CC2)CC1 90678050 HMKYMSVLPGQPLZ-UHFFFAOYSA-N 368.459 0.518 0 40 FCAB NS(=O)(=O)c1cc(-c2nc(CC(=O)NC3CCCCC3)no2)co1 95462714 ZJOZSEJZQDARMD-UHFFFAOYSA-N 354.388 0.968 0 40 FCAB CC(=O)N1CCN(c2c(NC[C@H](c3ccccc3)N(C)C)c(=O)c2=O)CC1 101701655 VWOLXZWVTJQFSD-MRXNPFEDSA-N 370.453 0.666 0 40 FCAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(-n2cnnn2)cc1 245229531 AJYYSEPBIVWQCI-DPDCMNJDSA-N 366.381 0.632 0 40 FCAB CNC(=O)c1cnn2c([C@@H]3CCCN(CC4(O)CCOCC4)C3)ccnc12 257216623 CVKGNTCOZLRYNR-CQSZACIVSA-N 373.457 0.810 0 40 FCAB CS(=O)(=O)N1CCC[C@@]12CCN(C(=O)c1ccc(F)cc1)C[C@@H]2O 257259506 KYRCIFFKSAOCIE-HOCLYGCPSA-N 356.419 0.827 0 40 FCAB CCN(CC)S(=O)(=O)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257334969 YIBKSHSWERVMOJ-GJZGRUSLSA-N 353.444 0.689 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N(CCN)[C@@H]1CCS(=O)(=O)C1 575421002 HIWMEIUIOAQQCO-GFCCVEGCSA-N 362.473 0.140 0 40 FCAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1n[nH]c2ccccc12 575615846 GWHVFDGYJYALGA-CYBMUJFWSA-N 362.455 0.944 0 40 FCAB CCCCN1CCC[C@@]2(CC(C(=O)NCCN3CCNC3=O)=NO2)C1 585101227 PEWOWFATQLNSEH-QGZVFWFLSA-N 351.451 0.539 0 40 FCAB Cc1cc(OC2CN(C(=O)[C@H]3COc4ccccc4O3)C2)n2ncnc2n1 618255638 GQJARZZSPDQECJ-OAHLLOKOSA-N 367.365 0.862 0 40 FCAB Cn1cc(O[C@@H]2CN(S(=O)(=O)Cc3ccccc3F)C[C@H]2O)cn1 625315428 VKVKOPHNGRXSPP-HUUCEWRRSA-N 355.391 0.513 0 40 FCAB CC(C)N1CCC(NC(=O)Cn2cc(CN3CCOCC3)nn2)CC1 641047665 OJDNKFDNCVJPDW-UHFFFAOYSA-N 350.467 0.099 0 40 FCAB CS(=O)(=O)CCC(=O)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565551744 KCUAVNUJXYCRHK-CJNGLKHVSA-N 368.459 0.473 0 40 FCAB CN(C)S(=O)(=O)N1C[C@@H](C(=O)Nc2cccnc2)C2(CCOCC2)C1 2055796159 HBOCOROLODTWKP-AWEZNQCLSA-N 368.459 0.555 0 40 FCAB CN1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 38858551 HYLMRZMEORLJHU-CQSZACIVSA-N 373.862 0.641 0 40 FCAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1cccc(S(=O)(=O)NC)c1 40050208 PJKQWODSJJXITK-ZDUSSCGKSA-N 372.468 0.715 0 40 FCAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)N[C@@H]1CCCCNC1=O 40088521 IAWYWSRLWRXYGM-OAHLLOKOSA-N 350.463 0.106 0 40 FCAB O=C(Cn1ccc(=O)[nH]c1=O)NCc1cccc(OCc2ccccn2)c1 46678248 BNKAQOQIAGDQBA-UHFFFAOYSA-N 366.377 0.827 0 40 FCAB C[C@@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)N1CCCC1 58209405 HARMWZFTLSJUHH-LLVKDONJSA-N 360.457 0.379 0 40 FCAB Cc1ccc(NC(=O)CCNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)nc1 58264552 KNYBOIZQNRPQAP-STQMWFEESA-N 356.448 0.662 0 40 FCAB COc1cc2nc(C)n(CC(=O)NCCc3c[nH]cn3)c(=O)c2cc1OC 72325802 VOXWWEAIZUSPCU-UHFFFAOYSA-N 371.397 0.804 0 40 FCAB biogenic CCN(CC)S(=O)(=O)N1CCN(Cc2cccnc2N(C)C)CC1 72391791 JKFPLVLXRDLCKF-UHFFFAOYSA-N 355.508 0.852 0 40 FCAB CN(C)S(=O)(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 75165407 RNZWLLRRMVADFX-UHFFFAOYSA-N 351.432 0.307 0 40 FCAB CCOC(=O)N1CCN(C(=O)c2cn(C[C@H](O)c3ccccc3)nn2)CC1 77197163 CXVJZBQRKJDTJA-INIZCTEOSA-N 373.413 0.926 0 40 FCAB O=C(CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1)N1CCOCC1 84573101 YPZNPWYRDQBPEP-UHFFFAOYSA-N 369.469 0.849 0 40 FCAB C[C@H]1C(=O)Nc2cnccc2N1C(=O)CN1C(=O)NC2(CCCC2)C1=O 95468132 UABREJDCQPLJDW-JTQLQIEISA-N 357.370 0.620 0 40 FCAB CCOC(=O)C1=NN(C(C)=O)[C@@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@@H]12 100639111 GRWHQLHFLOEFCN-ZFWWWQNUSA-N 357.366 0.888 0 40 FCAB O=C(C1CC1)N1CC[C@@]2(CCn3c2nn(Cc2ccccn2)c(=O)c3=O)C1 306141314 VRQKEYNUWRIOAO-LJQANCHMSA-N 367.409 0.132 0 40 FCAB CNC(=O)c1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1C 408608674 RUCJUADFWWJNNC-UHFFFAOYSA-N 355.460 0.355 0 40 FCAB CCN(CC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CS(=O)(=O)C[C@H]1O 575424630 UUSVBURNIAVOBO-TZMCWYRMSA-N 357.428 0.366 0 40 FCAB Cc1cccn2c(=O)cc(CN(CCNS(C)(=O)=O)C3CC3)nc12 585081008 BXIUUVHWMPGWBI-UHFFFAOYSA-N 350.444 0.517 0 40 FCAB CN(Cc1ccccn1)C(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2CC(O)C2)O1 585108680 WWYVVNDPGNTMNE-RDUYEZRFSA-N 373.453 0.959 0 40 FCAB CNc1ncc(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)cn1 643551293 XOLQLPIHCYSCDM-IDHHARJASA-N 354.410 1.278 0 40 FCAB O=C([C@@H]1CN(c2ccc3nncn3n2)CCO1)N1CCC(F)(F)CC1 2086884723 ODCUXMDCZNXGQJ-NSHDSACASA-N 352.345 0.587 0 40 FCAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCOCC1 3217577 TWGUMDGJMJPYPT-ZZXKWVIFSA-N 366.439 0.580 0 40 FCAB CC1CCN(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 4988290 XUDNRGILOIBGFS-UHFFFAOYSA-N 360.480 0.033 0 40 FCAB Cn1c(-c2ccccc2)cnc1NC(=O)COCC(=O)N1CCOCC1 6608602 CJMUKMSVPPSTPA-UHFFFAOYSA-N 358.398 0.901 0 40 FCAB COCCCn1c(S[C@H](C)C(=O)NC(=O)NC2CCCC2)n[nH]c1=O 12863145 DTOXCMRTHZODEJ-SNVBAGLBSA-N 371.463 0.857 0 40 FCAB COCCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(F)ccc3O)cnc21 14226926 CUXCTMMKYIOBED-UHFFFAOYSA-N 359.313 0.807 0 40 FCAB CCOC(=O)NC(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12 16321657 HGXXWZHUQVKGIS-UHFFFAOYSA-N 361.383 0.946 0 40 FCAB Cc1[nH]cnc1CN1C[C@@H](C(=O)O)C[C@@H](C(=O)NCc2ccccn2)C1 72159115 MUQFBUUMABNFNP-KGLIPLIRSA-N 357.414 0.952 0 40 FCAB C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2nccn2C)C3)C[C@@H](C)O1 72335577 HFWHTIYKUNDYOP-CHWSQXEVSA-N 358.446 0.675 0 40 FCAB CCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)c1c(C)nn(C)c1C)CC2 95972907 NIRWEHNSYHBWRU-UONOGXRCSA-N 357.476 0.978 0 40 FCAB CC(C)CCN1C[C@@]23CN(C(=O)c4cc[nH]n4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96146064 NRWMIUVHAFDYCS-INWMFGNUSA-N 368.459 0.453 0 40 FCAB O=C(NCc1ccco1)C1=NO[C@]2(CCN(C(=O)c3cnccn3)C2)C1 96225862 ISAHLZHIQINSCM-QGZVFWFLSA-N 355.354 0.747 0 40 FCAB CCOc1ncccc1CNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 108088840 GOZFQMYLPFAKBG-GBOPCIDUSA-N 359.382 0.259 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NC[C@]1(O)CCCN(c2ncccn2)C1 257231921 GIRVTQXGKAYCHS-GOSISDBHSA-N 358.446 0.517 0 40 FCAB O=C(O)/C=C/C(=O)NC[C@]1(O)CCCN(c2ccnc3cccnc23)C1 257296550 RDHWSFHPIXZTGJ-SHCNBLLESA-N 356.382 0.718 0 40 FCAB CNc1nccnc1[C@@H]1CN(C(=O)CN(C)Cc2cccnc2)CCO1 257301803 RZYSEGSTRKNHGN-HNNXBMFYSA-N 356.430 0.945 0 40 FCAB Cc1cnc(C(=O)N2CCc3cc(N4CCN(C)CC4)nnc3CC2)cn1 306126364 DTNAUIMYVQJDAX-UHFFFAOYSA-N 367.457 0.568 0 40 FCAB COc1ccn2c(C(=O)N[C@@H]3CCC(=O)N[C@H]3[C@H]3CCCO3)cnc2c1 563617967 LQVVKMZGSSWECD-SUYBPPKGSA-N 358.398 0.899 0 40 FCAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NC1CC(F)(F)C1)CO2 575404296 LIMUULUGNPOFCF-RAIGVLPGSA-N 357.401 0.468 0 40 FCAB O=C1CC[C@@H](C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)CN1 575615109 BVDLFUGCLROMHM-LLVKDONJSA-N 365.817 0.703 0 40 FCAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)NC(C)C)C[C@@H]23)n1 1549163065 YGGNFZLAVXDAGB-CYBMUJFWSA-N 360.418 0.598 0 40 FCAB O=C1CN2CCN(C(=O)c3cnccn3)C[C@@H]2COc2ccccc2N1 1772594786 UGZJFPHURGGZQO-CYBMUJFWSA-N 353.382 0.634 0 40 FCAB CNC(=O)[C@@H]1CN(C(=O)CCc2cn(C)c3ccccc23)CCN1C(C)=O 1848353746 PCBBTNHJUFBZJP-SFHVURJKSA-N 370.453 0.916 0 40 FCAB CCOc1ccc(Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)OC)cc1 4317813 STIFZJWQHVEITJ-UHFFFAOYSA-N 373.369 0.739 0 40 FCAB CC(=O)COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 4950665 YBJAUTKYBOVRPK-UHFFFAOYSA-N 350.396 0.980 0 40 FCAB CCN(CC(=O)NC(C)C)C(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC 6657842 KTGKFLLSILDHPE-UHFFFAOYSA-N 360.414 0.696 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1C 6928381 BYKWBAGWBZWLON-HNNXBMFYSA-N 365.455 0.415 0 40 FCAB CCS(=O)(=O)N1CCCc2cc(S(=O)(=O)N3CCOCC3)ccc21 10119396 MBTZDAVNYYQRMZ-UHFFFAOYSA-N 374.484 0.810 0 40 FCAB O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)C(=O)N1CCCC1 10219647 CSLOPXJWBAPJOI-UHFFFAOYSA-N 374.422 0.862 0 40 FCAB CCN(C(=O)[C@H](C)Sc1nnc(N)s1)[C@@H]1CCS(=O)(=O)C1 12773180 ZQKCGTOHSPYGAN-JGVFFNPUSA-N 350.491 0.637 0 40 FCAB Cn1nnnc1-c1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 14519514 IEUFHYHFQYJHAS-UHFFFAOYSA-N 364.431 0.487 0 40 FCAB Cn1cc(S(=O)(=O)N[C@H]2CCSc3ccccc32)c(=O)n(C)c1=O 15329317 CAMZJYJELMSORL-NSHDSACASA-N 367.452 0.599 0 40 FCAB Cn1c(N)c(C(=O)COC(=O)c2ccc3c(c2)CCC3)c(=O)n(C)c1=O 23219627 TUWLYVQSFNIPJK-UHFFFAOYSA-N 357.366 0.195 0 40 FCAB Cc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)nc1 27641055 WYUFMCIEJUZNHN-NSHDSACASA-N 350.400 0.494 0 40 FCAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCNS(C)(=O)=O)c12 29684443 NREUZRZKCJJEAT-UHFFFAOYSA-N 351.432 0.433 0 40 FCAB C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 30582597 NBCOVAHJWGOUGV-DOTOQJQBSA-N 372.469 0.219 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cn2ccccc2=O)c1 32797006 BRRXGBGDLXKVKJ-UHFFFAOYSA-N 363.439 0.560 0 40 FCAB Cn1cc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCCC2)cc1C(N)=O 58009426 HAFGZCSDYFMXHP-ZDUSSCGKSA-N 368.459 0.290 0 40 FCAB CNC(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(Cc1cnn(C)c1)C2 96251092 FUMQJFJKPNSICX-CRAIPNDOSA-N 355.446 0.427 0 40 FCAB Cc1noc(C)c1S(=O)(=O)NCc1nccc(N2CCOCC2)n1 211097367 FSNDYQZDNGYRMD-UHFFFAOYSA-N 353.404 0.397 0 40 FCAB O=C1CNC(=O)N1C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 245053545 OZAWDXAYRZZERI-UHFFFAOYSA-N 374.422 0.940 0 40 FCAB Cc1noc(C)c1CC(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257211781 CAIXUVPGCQMKRM-LLVKDONJSA-N 352.416 0.977 0 40 FCAB CC(C)Cn1nc2n(c(=O)c1=O)C[C@@]1(CCN(Cc3ccccn3)C1)OC2 306136489 PUUGQGLYUQHSHR-IBGZPJMESA-N 371.441 0.631 0 40 FCAB CNC(=O)[C@H]1COC2(CN(C(=O)c3ccc4c(ccn4C)c3)C2)CN1C 575404385 LVDUTGIBJJYXJT-MRXNPFEDSA-N 356.426 0.450 0 40 FCAB O=C(CCn1cnc2ccccc2c1=O)N1CC(N2C(=O)CSC2=O)C1 575611015 RQGVNYLLMBMKCY-UHFFFAOYSA-N 372.406 0.693 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)c3coc4cc(F)ccc34)C2)C1 685942517 OGFYEXQMDMPKOC-JTQLQIEISA-N 359.357 0.991 0 40 FCAB C[C@]12CN(C(=O)COC3CCCC3)C[C@H]1CN(c1nccn3nnnc13)C2 1052214712 CDJNXTNPJDLSEX-SCLBCKFNSA-N 371.445 0.763 0 40 FCAB O=C(Cn1ccccc1=O)N1CCn2c(nc(CN3CCCC3)cc2=O)C1 1565553509 BKADGYATVJHSGG-UHFFFAOYSA-N 369.425 0.043 0 40 FCAB O=C(c1ncccc1F)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888901287 ACXOTKGQMPJGOZ-TXEJJXNPSA-N 353.361 0.867 0 40 FCAB O=C(CN1CCN(c2cc(-n3cccn3)ncn2)CC1)N1CCCCC1 1889130268 NGTMOUWVNNORNU-UHFFFAOYSA-N 355.446 0.797 0 40 FCAB Cn1cccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccncc2)c1=O 2055750767 WTNAQUKDIWLDFG-DLBZAZTESA-N 354.410 0.506 0 40 FCAB c1n[nH]cc1CN1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 2055795799 AIGSFBBSYDJWMN-SFHVURJKSA-N 356.430 0.710 0 40 FCAB COC(=O)c1[nH]c2cccc(O)c2c1NC(=O)CN1CCC(C(N)=O)CC1 2414312 BUMVPCIMOHEPBS-UHFFFAOYSA-N 374.397 0.796 0 40 FCAB C[C@@H]1CCCN(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)C1 4162144 GXAMYHGEJOGTGF-SNVBAGLBSA-N 365.459 0.321 0 40 FCAB C[C@]12CS(=O)(=O)C[C@@H]1SC(=S)N2[C@]1(C)CCS(=O)(=O)C1 5677637 WMKJDMHAWLNELT-GDPRMGEGSA-N 355.528 0.453 0 40 FCAB COc1ccccc1CCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 6081380 VWKDCGAZTCIEDA-CYBMUJFWSA-N 355.412 0.474 0 40 FCAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnccn3)CC2)cc1 8707198 QBBHWTGTQQXVFT-UHFFFAOYSA-N 374.422 0.826 0 40 FCAB CCn1cc(C(=O)OCC(=O)Nc2nonc2N)c(=O)c2ccc(C)nc21 9261930 ORRHGOFSQKAGTL-UHFFFAOYSA-N 372.341 0.486 0 40 FCAB CCCCn1c(N)c(N(C)C(=O)c2ccc3c(c2)OCO3)c(=O)[nH]c1=O 9513139 LPBYGWHLMXRKJZ-UHFFFAOYSA-N 360.370 0.924 0 40 FCAB O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NC[C@@H]1CCCO1 12439998 YLKNVMDISZOEFU-LBPRGKRZSA-N 362.411 0.921 0 40 FCAB COc1cccc(NC(=O)[C@H](C)OC(=O)CCCN2C(=O)CNC2=O)c1 24754583 UMDMEGDBMJSQRO-NSHDSACASA-N 363.370 0.897 0 40 FCAB CN(C)c1c(N)n(C)c(=O)n(CC(=O)Nc2ccc(F)c(F)c2)c1=O 32682460 BRERHKNYLPCHJB-UHFFFAOYSA-N 353.329 0.112 0 40 FCAB CO[C@@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1 34361065 STNNWPKHRBGYMO-QFHFQNGXSA-N 356.371 0.674 0 40 FCAB biogenic,in-vitro CC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 36354896 MKZPFMKGBPUBTA-HZMBPMFUSA-N 367.427 0.703 0 40 FCAB NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 42073967 SYQTVZRLXMQARU-UHFFFAOYSA-N 368.349 0.485 0 40 FCAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NC(=O)NC(C)(C)C 57842650 BHUZMULSLRABMC-LLVKDONJSA-N 370.475 0.951 0 40 FCAB O=C(NCCN1CCCS1(=O)=O)c1ccc(Br)cc1O 58230036 SPURHKHIQLZWFF-UHFFFAOYSA-N 363.233 0.920 0 40 FCAB CN1C(=O)N(CC(=O)NCc2ccc(C(N)=O)o2)C(=O)C12CCCCC2 75091904 AFMZJGRQZLMTJN-UHFFFAOYSA-N 362.386 0.592 0 40 FCAB CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](C(=O)O)(C(C)C)C(=O)N12 77312010 BRHAPIBGUBQOTE-NQERCMRGSA-N 354.403 0.390 0 40 FCAB in-vitro NC(=O)Cn1cc(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)nn1 80078384 HSZRHTMZMPWUHV-INIZCTEOSA-N 354.345 0.817 0 40 FCAB CC(C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 95985777 ZBAKHVDZQVOSSA-OLZOCXBDSA-N 364.450 0.636 0 40 FCAB CC(C)Cn1cc(N2C[C@@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)cn1 96192207 NLUPUTYQLFQFCX-AWEZNQCLSA-N 361.446 0.616 0 40 FCAB CC(=O)N1CCN(c2c(NCc3ccc4c(c3)OCO4)c(=O)c2=O)CC1 101442293 KFRZHUZAKDDLIP-UHFFFAOYSA-N 357.366 0.292 0 40 FCAB Cn1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)ccc1=O 257258506 KUHKDGOUIHJQLF-MRXNPFEDSA-N 355.385 0.693 0 40 FCAB CN(C(=O)/C=C/c1ccccc1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O 257317780 VLCIYZKTBNMKIP-QARMOMCASA-N 357.454 0.872 0 40 FCAB CN(C)C(=O)c1cc(NC(=O)N2CCN(c3ncccn3)CC2)ccn1 265978225 YRFDPATZVIXLCV-UHFFFAOYSA-N 355.402 0.928 0 40 FCAB Cn1ccc(CC(=O)N2CCOC[C@H]2c2nccc(N3CCOCC3)n2)n1 585113162 SXVBKISGQDKLMU-HNNXBMFYSA-N 372.429 0.189 0 40 FCAB CCN(Cc1cn(C)nn1)C(=O)[C@@H]1CC(=O)N(CC)[C@H]1c1cnn(C)c1C 613393502 YHPGAFWOFJTUSW-RHSMWYFYSA-N 373.461 0.815 0 40 FCAB CCCc1cc(N2C[C@@H](O)[C@H](Oc3cnn(CC)c3)C2)n2ncnc2n1 624420656 RBRXRXMBZTWQEJ-HUUCEWRRSA-N 357.418 0.922 0 40 FCAB O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@H]2O1 1565544782 RDXQQTOSHCXBCD-MELADBBJSA-N 360.414 0.726 0 40 FCAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)[C@H]5CCCCO5)C[C@H]4C3)nn12 1888850294 AQUVOUQPXSGXGY-QLFBSQMISA-N 356.430 0.896 0 40 FCAB COc1cnc(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)nc1 2055747911 ZACXSVGKKWXHHL-HOTGVXAUSA-N 355.398 0.606 0 40 FCAB Cc1ccc(C(=O)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@H]2CO)cc1 1056240 ZXFPNUSVNGMMMZ-QLFBSQMISA-N 360.366 0.659 0 40 FCAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2C/C=C/c1ccccc1 4316578 IMDRDADRPBBASE-VMPITWQZSA-N 366.425 0.546 0 40 FCAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)cc1C 4370782 XMBLQZZURYLKIJ-UHFFFAOYSA-N 369.381 0.750 0 40 FCAB O=C(O)c1nc2cn1/C=C\C=N\CC1=CN3C=CC=N[C@]3(C(=O)O)N1C2 5386084 FNQNTCHQOZUQHN-CVPPPEJMSA-N 354.326 0.432 0 40 FCAB Cn1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 5703467 XFEAJNOEBNCJAB-LLVKDONJSA-N 350.396 0.638 0 40 FCAB COC(=O)c1c(NC(=O)C(=O)NC[C@@H](C)O)sc2c1CC(C)(C)OC2 6758836 JQWRVMBYIUNUJR-MRVPVSSYSA-N 370.427 0.822 0 40 FCAB COCCN1C(=O)/C(=C\Nc2ccsc2C(=O)OC)C(=O)NC1=S 6908271 ZMUYHTWBGRUAHV-FPLPWBNLSA-N 369.424 0.720 0 40 FCAB COCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCOC[C@@H]32)C1=O 8997456 GCRWUKWTPOCZEL-KDOFPFPSSA-N 359.382 0.159 0 40 FCAB Cc1nnc2ccc(N3CCN(S(=O)(=O)c4ccccc4)CC3)nn12 11696257 IBGWGBBCNVRKQV-UHFFFAOYSA-N 358.427 0.944 0 40 FCAB CNC(=O)CN(C)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 14201475 GLVPLFYAMNEMLN-UHFFFAOYSA-N 359.423 0.431 0 40 FCAB CN(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(F)cc1 16187829 HKKLTJLCTHTLPB-UHFFFAOYSA-N 354.407 0.849 0 40 FCAB CC(C)n1nnc(CC(=O)N2CCN(C(=O)c3ccccc3F)CC2)n1 19455025 JRYNHOKDLDOBHC-UHFFFAOYSA-N 360.393 0.920 0 40 FCAB Nc1ncnc2nc([C@@H]3CN(S(=O)(=O)N4CCCC4)CCO3)ccc12 19704780 YTLWEGZJCSNDAT-ZDUSSCGKSA-N 364.431 0.321 0 40 FCAB COc1cccc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c1 30209823 DWRXDERBYZHNTO-UHFFFAOYSA-N 353.444 0.794 0 40 FCAB Cc1ccc(C)c(OC[C@H](O)CN2CCN(CC(=O)NC3CC3)CC2)c1 32772973 LEGXYYWVPGJUHZ-GOSISDBHSA-N 361.486 0.939 0 40 FCAB O=C(O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 35126669 FVKWXVBBMWPZEL-UHFFFAOYSA-N 363.233 0.840 0 40 FCAB CCS(=O)(=O)c1ccccc1NC(=O)C(=O)N[C@@H](C)Cn1cccn1 41739028 PZJYFSMMQQWKGG-LBPRGKRZSA-N 364.427 0.820 0 40 FCAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(O)nn3)n2)cc1 42379554 KBWFOVUKESAWEI-UHFFFAOYSA-N 367.365 0.845 0 40 FCAB O=C(NC[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 44456589 LKSNHNPHHNEYTH-NEPJUHHUSA-N 354.403 0.730 0 40 FCAB Cn1cc(CCC(=O)N2CSC[C@H]2C(=O)NCC(F)(F)F)cn1 56990435 BRELCIGGJHRZJN-JTQLQIEISA-N 350.366 0.933 0 40 FCAB Cc1c(C(=O)NCCS(N)(=O)=O)nnn1-c1cccc2ncccc12 66927700 PCJJLGTXWWVSFB-UHFFFAOYSA-N 360.399 0.142 0 40 FCAB CC1(C)[C@@H](C(=O)Nc2cccc(C(=O)N3CCNC(=O)C3)c2)[C@H]1C(=O)O 71288013 DMJDRQOEWSMHDZ-KGLIPLIRSA-N 359.382 0.554 0 40 FCAB CCCC(=O)N1CCN(c2ccc(N3C[C@@H](C(N)=O)CC3=O)cc2)CC1 72228527 XCTRNEYZWCXSAZ-AWEZNQCLSA-N 358.442 0.974 0 40 FCAB CC(C)CC(=O)N1CC[C@@H]2CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]2CC1 96145623 IVDQXNZVSLGJCQ-ZIAGYGMSSA-N 359.492 0.373 0 40 FCAB O=C1CO[C@]2(COCCN(Cc3ccccn3)C2)CN1c1cncnc1 96240166 VKSYFPUUUORJIM-SFHVURJKSA-N 355.398 0.506 0 40 FCAB CN(C)CCNC(=O)[C@H]1C[C@]2(CO1)CN(C(=O)N(C)C)c1ccccc12 96262887 XMZUCVLCUGVFBG-VQIMIIECSA-N 360.458 0.893 0 40 FCAB CNC(=O)[C@@H]1COC2(CN(Cc3cccnc3OC)C2)CN1CC1CC1 247825456 FOVWWRSAZMGSLK-INIZCTEOSA-N 360.458 0.501 0 40 FCAB CC(C)Cc1cc(C(=O)NC[C@@]2(O)CCN(c3cnccn3)C2)n(C)n1 257310789 UGOZCKYWJWLMPC-SFHVURJKSA-N 358.446 0.780 0 40 FCAB C[C@@]1(O)CN(C(=O)c2cscn2)CC[C@H]1n1cnc2c(N)ncnc21 257329058 XIEXYQRPZXZTMM-MEBBXXQBSA-N 359.415 0.703 0 40 FCAB Cn1cc(-c2ccc(F)c(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2)cn1 542958135 ZNPQSAFIWJDNPH-ZDUSSCGKSA-N 366.418 0.990 0 40 FCAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CN2CCOCC2)[C@@H](O)C1 585285176 OVAFAMYJYDASOB-RDJZCZTQSA-N 354.834 0.610 0 40 FCAB CCCCn1cc(CN2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)c(C)n1 643585987 LGLPEEORAXVWEQ-KURKYZTESA-N 352.479 0.230 0 40 FCAB O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)N1CCOCC(F)(F)C1 685088862 YNFYVOOBNREVCG-SNVBAGLBSA-N 364.374 0.742 0 40 FCAB Cn1ccc(CN2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@H]3C2)n1 1549162240 SIAKYKPKQXYNHV-MRXNPFEDSA-N 373.457 0.828 0 40 FCAB O=C(Cc1ccc(F)cn1)N1Cc2nccn2C[C@H](Cn2cncn2)C1 1565545564 IWEWTOPIXJCGSQ-ZDUSSCGKSA-N 355.377 0.910 0 40 FCAB CCc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCN(C)CC3)C2)cn1 1565550274 XCWKREGAMZWMAY-FGTMMUONSA-N 372.469 0.648 0 40 FCAB CC(=O)N1CCC(N2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)CC1 1615160112 YLFNLYDPPBZQRG-RTBURBONSA-N 370.453 0.969 0 40 FCAB N[C@H](Cc1ccc(O)c(-c2cc(C[C@@H](N)C(=O)O)ccc2O)c1)C(=O)O 6091894 OQALFHMKVSJFRR-ZIAGYGMSSA-N 360.366 0.674 0 40 FCAB biogenic,in-vitro O=C1OCc2cc(-n3nnn([C@H]4CC(=O)[C@@H]5OC[C@H]4O5)c3=S)ccc21 6659610 NMHXDOROZZALPA-ZKYQVNSYSA-N 360.351 0.724 0 40 FCAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1 7655033 HADNCUXIQXTDJV-UHFFFAOYSA-N 370.456 0.974 0 40 FCAB Cc1cc(NC(=O)COC(=O)c2ccc(C)c(S(N)(=O)=O)c2)no1 9515494 LMZXAINGHIEERU-UHFFFAOYSA-N 353.356 0.734 0 40 FCAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCN(c2ccccn2)CC1 9578125 DNHSZUSRYJSZIE-UHFFFAOYSA-N 371.441 0.985 0 40 FCAB O=C(O)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 13029786 IJQYAVDHBIUJPX-JTQLQIEISA-N 367.832 0.602 0 40 FCAB CN1CCN(n2ccc3c(cnc4nc(-c5cccnc5)nn43)c2=O)CC1 13692035 MRNNGYYMTGZZCM-UHFFFAOYSA-N 362.397 0.385 0 40 FCAB O=C([C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1)N1CCOCC1 26970015 ANCIGNFRHOQEBV-ZDUSSCGKSA-N 360.432 0.748 0 40 FCAB Cc1csc(CNC(=O)CNC2=NS(=O)(=O)c3ccccc32)n1 29886512 BYYXMRXRICXXSA-UHFFFAOYSA-N 350.425 0.806 0 40 FCAB CC(C)CNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 34857685 WSQLYJQYWQIPSH-UHFFFAOYSA-N 353.488 0.906 0 40 FCAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2c(cnn2C)c1=O 39983716 VCQJIKDFMZYLQV-UHFFFAOYSA-N 369.381 0.560 0 40 FCAB CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 40160223 XIUXVOVFWILYBN-CQSZACIVSA-N 368.459 0.212 0 40 FCAB Cn1nc(C(=O)Nc2nccs2)cc1OCC(=O)N1CCOCC1 57312504 WMXIGQNDQMEMNQ-UHFFFAOYSA-N 351.388 0.367 0 40 FCAB CSCC[C@@H]1NC(=S)N([C@H]2CCCN(S(C)(=O)=O)C2)C1=O 58210220 ICAVKINJYWWVDH-UWVGGRQHSA-N 351.519 0.249 0 40 FCAB CCNC(=O)NC(=O)COC(=O)c1cccn(Cc2ccccc2)c1=O 64283371 AWTGXGXHGCTBRX-UHFFFAOYSA-N 357.366 0.899 0 40 FCAB Cc1nc2c(c(N(C)C)n1)CCN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)C2 71575446 ZPPBQETTXFSYFT-AWEZNQCLSA-N 367.475 0.160 0 40 FCAB COc1coc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1=O 72405892 GFXKGGOXUWMWBU-SNVBAGLBSA-N 367.383 0.765 0 40 FCAB CN1CCC(N(C)S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 95999794 VZOYMEOIXOFUMA-UHFFFAOYSA-N 351.472 0.867 0 40 FCAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N(C)CC(=O)NC1CC1 97365725 XQNWWFXSQCFZMD-OAHLLOKOSA-N 360.393 0.641 0 40 FCAB O=C(NCCN1CCC(O)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 206609724 XAJXQKCRHHVRET-UHFFFAOYSA-N 374.441 0.325 0 40 FCAB O=C(O)c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)NCCCO)c1 217462706 KNJHZUNKUVUVAU-GFCCVEGCSA-N 358.416 0.636 0 40 FCAB COCC(=O)N1CC2(CCN(Cc3ccn(C)n3)CC2)C[C@]1(C)CO 257311385 UJEXOQGDHVZVJT-QGZVFWFLSA-N 350.463 0.632 0 40 FCAB CCS(=O)(=O)CCN1Cc2cncn2[C@H](C(=O)N2CC(F)(F)C2)C1 306133813 MWVXWXVAXOITCX-LBPRGKRZSA-N 362.402 0.152 0 40 FCAB CN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](COc2ncccc2F)C1 306142017 WMYVYKMPJVXACU-GFCCVEGCSA-N 355.395 0.659 0 40 FCAB CCNC(=S)NNc1nc(N2CCCC2)nc(N2CCOCC2)n1 408725931 OEEZLVOGRMOQEV-UHFFFAOYSA-N 352.468 0.119 0 40 FCAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)N2CCOCC2)[C@H]1O 514288805 DKYHBTFIOFFNHR-OKZBNKHCSA-N 363.458 0.331 0 40 FCAB biogenic,in-vitro CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=S)Nc1ccccc1 575421878 SJLHILQPZLFXDK-VXGBXAGGSA-N 357.457 0.885 0 40 FCAB Cc1cnc(N)c(S(=O)(=O)NCc2ccncc2OCCN(C)C)c1 585083787 MWXXFNSUXMOLHN-UHFFFAOYSA-N 365.459 0.786 0 40 FCAB C[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cncc(Br)c1 624284947 FPQHKZNCBOWWNU-VIFPVBQESA-N 363.281 0.985 0 40 FCAB CCN1CCO[C@@H](CNC(=O)NCc2nnn(C)n2)[C@@H]1c1ccccc1 661087914 ZKQXMCUTRZPNQH-HOCLYGCPSA-N 359.434 0.471 0 40 FCAB Cc1nc(C(=O)N2C[C@H]3ON=C(C(=O)N4CCOCC4)[C@H]3C2)cs1 1565546136 WCPHZVYFNXHJJW-CMPLNLGQSA-N 350.400 0.137 0 40 FCAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565546544 GMQLOBXWBQBLRO-WXSAJPJJSA-N 356.426 0.224 0 40 FCAB Cn1cnc(C(=O)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 1565547734 NBZXMGXXBFZHOD-UHFFFAOYSA-N 370.457 0.965 0 40 FCAB O=C(Cc1ccccc1)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(CCOCC1CC1)C2 1615610945 HMWSFUPUMAQWST-WAOWUJCRSA-N 371.481 0.961 0 40 FCAB Cc1nc(N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)nc(O)c1F 1888899391 YEPADRHOBNDMMP-QWRGUYRKSA-N 356.365 0.640 0 40 FCAB CC(=O)NCC(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037840266 KZWXGAJEDVGLMZ-LJQANCHMSA-N 359.426 0.937 0 40 FCAB O=C([C@@H]1CN(Cc2nnc3n2CCC3)CCO1)N1CCC(F)(F)CC1 2087129912 RJYRSXJAWIGSQB-LBPRGKRZSA-N 355.389 0.683 0 40 FCAB Cn1c(=O)c2c(SCC(N)=O)nc(-c3ccccc3)nc2n(C)c1=O 4139108 MAELZKOHHFXKTQ-UHFFFAOYSA-N 357.395 0.272 0 40 FCAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC2CC2)cc1C 4438440 BDCJYINIMTUTLC-LBPRGKRZSA-N 354.428 0.792 0 40 FCAB CCOCCCNC(=O)NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 7989122 LVGBYKFUDNIOCE-UHFFFAOYSA-N 350.354 0.732 0 40 FCAB CCOc1ccccc1NC(=O)CSc1ncc(CO)n1CC(N)=O 10063563 UYFNQWRBEZKMLQ-UHFFFAOYSA-N 364.427 0.990 0 40 FCAB COC(=O)c1c(C)cccc1NCC(=O)N1CCN(S(C)(=O)=O)CC1 10185876 LHWDKHLWBCAFNX-UHFFFAOYSA-N 369.443 0.297 0 40 FCAB Cc1cccc(C)c1Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)O 11693982 SZAPRYIYMSWMIE-UHFFFAOYSA-N 357.370 0.879 0 40 FCAB Cn1c(N)c(C(=O)COc2c(F)c(F)cc(F)c2F)c(=O)n(C)c1=O 12803305 JTZZXVQOAFBWPM-UHFFFAOYSA-N 361.251 0.484 0 40 FCAB NC(=O)c1ccc(C(F)(F)F)n(Cc2nnnn2-c2ccccc2)c1=O 12994845 IJYWYJDPXFLOKL-UHFFFAOYSA-N 364.287 0.990 0 40 FCAB Cc1cc(C)c(OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 14627335 QHQVLGFOSXTNLO-UHFFFAOYSA-N 356.382 0.965 0 40 FCAB CN(C)Cc1cc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)nn1C 19710071 SVVQWMZBYITPQZ-OAHLLOKOSA-N 357.480 0.196 0 40 FCAB C[C@]1(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCS(=O)(=O)C1 24345318 VJHFJYWEDNNXHQ-HNNXBMFYSA-N 372.468 0.669 0 40 FCAB Cc1nc2sc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)c(C)c2c(=O)[nH]1 25049335 UNMYSXDKRHVHQH-CQSZACIVSA-N 355.441 0.908 0 40 FCAB CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(O)c1 36358955 WTPUDZONOLIAML-OCCSQVGLSA-N 369.443 0.842 0 40 FCAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(CC(=O)N2CCCC2)CC1 36383853 WDPQHRMAOGLJBW-UHFFFAOYSA-N 373.453 0.767 0 40 FCAB Cn1nnnc1SCC(=O)N1CCC(C(=O)Nc2nccs2)CC1 44226461 FBVSHSSMNOCWJM-UHFFFAOYSA-N 367.460 0.636 0 40 FCAB O=c1c2cnc(-n3ccnc3)nc2nc(O)n1-c1ccc2c(c1)OCO2 57351993 ROWXGXCYMYBEGE-UHFFFAOYSA-N 350.294 0.796 0 40 FCAB OC[C@@H](O)CNC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O 77262878 PLJGGNIHSOVIFN-LSTDLKDCSA-N 362.426 0.735 0 40 FCAB biogenic,in-vitro Cc1cnc(N2C[C@@H]3[C@@H](C(=O)NCC4CC4)CCS(=O)(=O)[C@@H]3C2)nc1 96250989 HVCKQCIAWZWZDA-RRFJBIMHSA-N 364.471 0.551 0 40 FCAB CCNS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 98086773 LRWILGSZOBOQTE-UHFFFAOYSA-N 356.433 0.239 0 40 FCAB CS(=O)(=O)c1ccc(OC[C@]2(CNCC3CC3)C[C@H](O)[C@H](O)C2)cc1 107283936 PRPHPRSRSYUAOH-PIIMJCKOSA-N 369.483 0.971 0 40 FCAB biogenic,in-vitro CS(=O)(=O)N1CCN(C(=O)c2ccnc(O[C@@H]3CCSC3)c2)CC1 225722340 IMEYTGYCJVGPEP-CYBMUJFWSA-N 371.484 0.683 0 40 FCAB NC(=O)C[C@H]1CCN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 585084687 TVEHDPXZDBHAQJ-CQSZACIVSA-N 367.471 0.405 0 40 FCAB CO[C@H]1CN(C(=O)CNS(C)(=O)=O)CC[C@@H]1Cc1ccccc1F 585279976 UUJFUQNOIAZYLP-HIFRSBDPSA-N 358.435 0.781 0 40 FCAB CCNCc1cccc(NC(=O)C(=O)N[C@@H](CCSC)C(N)=O)c1 599887267 DXPHYRXFOSIVNU-ZDUSSCGKSA-N 352.460 0.458 0 40 FCAB CCc1nn(C)c2n[nH]c(NC(=O)[C@H](C)n3cnc4c(N)ncnc43)c12 668825398 XHXOXWVGPSSOTO-ZETCQYMHSA-N 354.378 0.780 0 40 FCAB Cn1cc(C(=O)N[C@@H]2CCO[C@]3(CCN(C(=O)[C@H]4CCOC4)C3)C2)cn1 1565555350 YBVOOGHEOYFGJC-JCKWVBRZSA-N 362.430 0.337 0 40 FCAB Cc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)C(C)C)C[C@H]4C3)nn12 1888853937 CLJNAFIPACRRBS-CHWSQXEVSA-N 350.448 0.539 0 40 FCAB COc1ccc(CN2CCO[C@]3(COCC(=O)N(C)C3)C2)cc1OC 2037984103 QDQWRNSZQVRLAX-SFHVURJKSA-N 350.415 0.763 0 40 FCAB CCOCC(=O)N1CCC(C(=O)N=c2ccn(C)[nH]2)(n2cccn2)CC1 2055708098 HHEKERKKDWOMQK-UHFFFAOYSA-N 360.418 0.031 0 40 FCAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1 2055708114 KJSJFEPAURWSBW-LBPRGKRZSA-N 351.370 0.912 0 40 FCAB Cc1noc(CC(=O)N2CC[C@]3(CCc4nnc(C(=O)NC(C)C)n43)C2)n1 2055794513 XFMCBDNUNAISJW-QGZVFWFLSA-N 373.417 0.224 0 40 FCAB Cn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 652801 AZRPWRXSTHTTQP-UHFFFAOYSA-N 360.395 0.796 0 40 FCAB Cn1cnc2c1c(=O)n(CCCOC(=O)Cc1ccsc1)c(=O)n2C 6368948 NFNSFBZKDBAHAX-UHFFFAOYSA-N 362.411 0.671 0 40 FCAB CC(C)N1C(=O)C(=O)N(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C1=O 6436210 XROVOQOTEOEYHN-WDEREUQCSA-N 352.391 0.590 0 40 FCAB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 7688279 UCYDZEWJDGNESA-SNVBAGLBSA-N 357.432 0.847 0 40 FCAB O=C(CSc1nnnn1C[C@H]1CCCO1)NC(=O)c1cccs1 9366586 JZGRNIRQCWGTAM-SECBINFHSA-N 353.429 0.962 0 40 FCAB COC(=O)c1ccc(C)c(NCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 10169982 PNDQEXWFNPZNDU-CYBMUJFWSA-N 354.428 0.839 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc2cccc(OC)c2oc1=O 10386887 LAOVTBQOYRIXLB-LBPRGKRZSA-N 374.349 0.305 0 40 FCAB COCCn1c(N)c(C(=O)CN2CCCc3cc(C)ccc32)c(=O)[nH]c1=O 12521904 ZTFJOYVIWPHWOV-UHFFFAOYSA-N 372.425 0.709 0 40 FCAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCC(C(N)=O)CC1 22251604 FCECMDNOWIPHMY-UHFFFAOYSA-N 369.443 0.429 0 40 FCAB Cc1cc(=O)n2nc(Sc3nnc(CCC(N)=O)n3C)sc2n1 23185301 IULHQRQJWLISEH-UHFFFAOYSA-N 351.417 0.157 0 40 FCAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 25990149 SITQVPXEFCLVEX-GFCCVEGCSA-N 374.397 0.914 0 40 FCAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O 33330716 VLNXZUNHDIPYAA-VIFPVBQESA-N 366.399 0.392 0 40 FCAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)NC(=O)NC2=O 40033852 CWQLWSCQRNTGJC-GFCCVEGCSA-N 362.386 0.235 0 40 FCAB Cc1occc1C(=O)NC1CCN(CCCOC(=O)NC(N)=O)CC1 89540643 RKVNVIXGSNADPY-UHFFFAOYSA-N 352.391 0.977 0 40 FCAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(OCCCN(C)C)CC1 95407309 IZFZCJMLMPJDKY-JKSUJKDBSA-N 368.522 0.532 0 40 FCAB O=C(NCc1ccco1)C1=NO[C@@]2(CCN(C(=O)N3CCOCC3)C2)C1 96225897 DGKUDOWKUGIWJW-KRWDZBQOSA-N 362.386 0.569 0 40 FCAB Cc1ccc(NC[C@H]2CO[C@]3(COCCN(S(C)(=O)=O)C3)C2)nn1 96240577 XUGKMXFGOHUGIV-DZGCQCFKSA-N 356.448 0.264 0 40 FCAB Cc1cc(C)n2nc(C(=O)N3CCCC[C@H]3c3cc(C(N)=O)[nH]n3)nc2n1 225557388 NVQZEWCBRUWHLY-ZDUSSCGKSA-N 368.401 0.931 0 40 FCAB CNC(=O)[C@H]1COC2(CN(Cc3cccnc3OC)C2)CN1CC1CC1 247825460 FOVWWRSAZMGSLK-MRXNPFEDSA-N 360.458 0.501 0 40 FCAB COCCC(=O)N1CCC[C@](O)(CN2CCC(NC(C)=O)CC2)CC1 257292273 QKTGKOSGUGJABG-GOSISDBHSA-N 355.479 0.367 0 40 FCAB Cc1nc(C)n(CCC(=O)N2CCN(Cc3ccccc3)[C@H](C(N)=O)C2)n1 257343713 ZUCURCMMFYHSNR-KRWDZBQOSA-N 370.457 0.483 0 40 FCAB Cc1ccn(CC(=O)N(CC(C)C)C[C@@H]2COC[C@@H](O)[C@H]2O)c(=O)c1 585288018 MRZMWONAMOLTTO-RKVPGOIHSA-N 352.431 0.010 0 40 FCAB CCOc1ncccc1C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 678879894 IEEHIUWORIUQMG-BLLLJJGKSA-N 354.428 0.946 0 40 FCAB CN(C)C(=O)N[C@H]1CCOC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1 1565551740 JYLVOFIYLSMQRF-BYNSBNAKSA-N 351.447 0.690 0 40 FCAB Cc1nnc2ccc(N3CCN(c4ncnc5c4ncn5C)CC3)nn12 1888917901 FJQDUPVGQZETGN-UHFFFAOYSA-N 350.390 0.436 0 40 FCAB CCOC(=O)NC(=O)c1cn(OCc2ccc(Cl)cc2)c(=O)[nH]c1=O 1397123 AKWXAUBGXUSZGO-UHFFFAOYSA-N 367.745 0.705 0 40 FCAB CC(C)NC(=O)NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1 3334176 FVCARKQUBILYBB-UHFFFAOYSA-N 357.388 0.449 0 40 FCAB O=S1(=O)C=C(Cl)[C@@H](SC(=S)N[C@H]2CCS(=O)(=O)C2)C1 5376350 GZDKPXLPDYHNGL-XPUUQOCRSA-N 361.919 0.658 0 40 FCAB Cc1noc(C)c1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 5950863 ZAYZYAFBOYNORY-UHFFFAOYSA-N 353.356 0.734 0 40 FCAB CC(C)Cn1c(N)c(C(=O)COC(=O)[C@@H]2CC=CCC2)c(=O)n(C)c1=O 7786109 RZLNXEIIFQBWER-GFCCVEGCSA-N 363.414 0.867 0 40 FCAB Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H]3CCCC[C@H]31)c(=O)n2C 9156898 SQOQMSQOTBAADT-QWHCGFSZSA-N 359.430 0.615 0 40 FCAB O=C(O[C@@H]1CCOC1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 9497730 UIMDYPFZLMVLAH-CYBMUJFWSA-N 373.358 0.319 0 40 FCAB NC(=O)c1ccc(NC(=O)CNC(=O)CNC(=O)c2cccs2)cc1 12913868 SOOJGGOEIWRWEY-UHFFFAOYSA-N 360.395 0.332 0 40 FCAB C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 14236968 CRLQINIHRFKJSW-MWLCHTKSSA-N 358.391 0.599 0 40 FCAB NC(=O)c1c(NC(=O)N2CCN(CCO)CC2)sc2c1CCCC2 20589528 DDFVCAWILAKCPA-UHFFFAOYSA-N 352.460 0.868 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)NCc1cccnc1-n1cccn1 24795238 LDVHBSBLJLGGRI-UHFFFAOYSA-N 361.365 0.689 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)cc1 32904578 KOXZYSVFOBCINC-OAHLLOKOSA-N 365.455 0.543 0 40 FCAB CC(C)[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 40160222 XIUXVOVFWILYBN-AWEZNQCLSA-N 368.459 0.212 0 40 FCAB CN(C)C1(CNC(=O)C(=O)Nc2ccc(-c3nnn(C)n3)cc2)CCCC1 44902245 CIXZCSXZHBORAJ-UHFFFAOYSA-N 371.445 0.806 0 40 FCAB CC(=O)N(C)c1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 58201378 OGFBDNPJYNLOSR-UHFFFAOYSA-N 354.370 0.751 0 40 FCAB O=C(Cn1nc2c(cc1=O)CSCC2)N[C@H](C(=O)O)c1ccccc1 71328964 HGUBGHVXJHYCLC-INIZCTEOSA-N 359.407 0.975 0 40 FCAB CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@@](O)(Cn2cncn2)C1 72354536 NUUPQZXZRNBYLG-GOSISDBHSA-N 361.421 0.555 0 40 FCAB CN1C[C@@H](NC(=O)CSc2nncn2-c2cccc(Cl)c2)C(=O)N1 95465427 OMBCSZLUQKIETQ-LLVKDONJSA-N 366.834 0.474 0 40 FCAB CCN1C[C@]2(CC1=O)CN(C(=O)c1ccccn1)CCN(C(=O)N(C)C)C2 96036233 MCZOQQZMDAHNMG-LJQANCHMSA-N 373.457 0.760 0 40 FCAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)N[C@@H]1CCS(=O)(=O)C1 100217186 QSPNBOAWVUUDLJ-FYXCSKNLSA-N 362.407 0.377 0 40 FCAB CC(C)(C)OC(=O)[C@H](N)COCCOCCOCCOCCC(=O)O 216643996 YCEYBRZRNOJORY-CYBMUJFWSA-N 365.423 0.197 0 40 FCAB Cc1nc2ccc(C(=O)N(C)[C@@H]3CC[C@@H](N4CCNC(=O)C4)[C@@H]3O)cc2[nH]1 257298380 RLKCKLMPBSHSEG-JFIYKMOQSA-N 371.441 0.267 0 40 FCAB O=C(c1ccc2[nH]nnc2c1)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257308770 TYAUUICGEIIKHU-LLVKDONJSA-N 354.370 0.785 0 40 FCAB CN(C)S(=O)(=O)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 306126913 FISXJOUGHIWCTP-LBPRGKRZSA-N 351.436 0.023 0 40 FCAB CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 331816952 LJVQCCKEWLORSP-YPMHNXCESA-N 350.400 0.810 0 40 FCAB CO[C@H]1CN(C(=O)CNS(C)(=O)=O)CC[C@@H]1Cc1cccc(F)c1 585279356 KPXYXRIHHWZHKE-HIFRSBDPSA-N 358.435 0.781 0 40 FCAB NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 671634396 FOLGPFWRRAMZDF-OAGGEKHMSA-N 368.455 0.726 0 40 FCAB Cc1cc(C(=O)N2CC(N3CCO[C@H](c4nc(C)no4)C3)C2)c(C)nn1 685942106 LFDKKKDMHZNAQT-HNNXBMFYSA-N 358.402 0.683 0 40 FCAB COC(=O)c1ccc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1 1565523562 QQXJVLQCGAZDMM-UHFFFAOYSA-N 358.329 0.891 0 40 FCAB CC(C)N(C)CC(=O)N1CCC2(CC1)CN(CCN(C)C)C(=O)CO2 1565553095 KGTPPKWXOCCRAB-UHFFFAOYSA-N 354.495 0.108 0 40 FCAB O=C(O[C@H]1CCOC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 2656499 VPMNSMAEAKBEMJ-ZDUSSCGKSA-N 355.368 0.180 0 40 FCAB C[C@]1(NC(=S)SCC2=CCS(=O)(=O)C2)CCS(=O)(=O)C1 3156869 QULTXTXLIUCNOX-NSHDSACASA-N 355.528 0.526 0 40 FCAB COC(=O)C1=NN[C@@]2(C)C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 4664443 FDSAAQCNOZPNJZ-LKFCYVNXSA-N 366.171 0.829 0 40 FCAB CN(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 4812248 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COCCN1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16024845 MDOXVXRRTDHMSV-IPJQRFBASA-N 357.410 0.690 0 40 FCAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cccnc1-n1cccn1 24642414 LPLXLZVZGDVZRM-AWEZNQCLSA-N 363.443 0.698 0 40 FCAB CN(Cc1cnn(C)c1)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 25048661 VPPLVLARWOBTBO-UHFFFAOYSA-N 361.427 0.507 0 40 FCAB Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCC[C@H](NS(C)(=O)=O)C1 32916173 HVWZLMCNHKBBKL-LBPRGKRZSA-N 351.428 0.495 0 40 FCAB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 40158392 MKAQZDVBAALQEB-SECBINFHSA-N 366.436 0.422 0 40 FCAB O=C(NCCc1ccco1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 40160177 AXBXBIGXHKTPAJ-LLVKDONJSA-N 353.400 0.104 0 40 FCAB CN(C)S(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccccc1F 44904659 KRCABVBJOKVPTI-GFCCVEGCSA-N 359.423 0.734 0 40 FCAB CCc1[nH]nc(S(=O)(=O)N2CCN(CC(C)C)CC2)c1C(=O)OC 48991646 GLIHIVDYRRIVJH-UHFFFAOYSA-N 358.464 0.721 0 40 FCAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 58135863 PBEUSJQHCOJGFA-LBPRGKRZSA-N 370.452 0.910 0 40 FCAB COCCS(=O)(=O)N1CCC(NC(=O)c2cccc(OC)c2)CC1 72265436 KRFFLWLCGBFLTC-UHFFFAOYSA-N 356.444 0.866 0 40 FCAB O=C1CCSC[C@H](C(=O)NCCn2nc(-c3ccco3)ccc2=O)N1 75171468 KPZUYKCIMHACEE-GFCCVEGCSA-N 362.411 0.241 0 40 FCAB CNC(=O)[C@H](NC(=O)CN(CCO)Cc1cccnc1)c1ccccc1 79065334 FNJCSBWLBHVRHJ-GOSISDBHSA-N 356.426 0.479 0 40 FCAB Cn1cnc(S(=O)(=O)N2C[C@@H]3COC[C@]3(COCC3CCC3)C2)c1 96207896 JCCZNMRHJOABRC-GDBMZVCRSA-N 355.460 0.874 0 40 FCAB CN1C[C@H](C(=O)N2[C@@H]3CC[C@@H]2Cn2c(nc4ccccc4c2=O)C3)CC1=O 100119308 LPBVNVJFJJAPOK-MGPQQGTHSA-N 366.421 0.791 0 40 FCAB OC[C@@H]1O[C@H](n2cnc3c(/C=C(\O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O 100135120 MHMCIRXDRBTNOZ-UQBWDTLUSA-N 370.365 0.494 0 40 FCAB in-vitro COC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)CC1 102573551 CKMGOWIPDPMHDF-CQSZACIVSA-N 360.366 0.902 0 40 FCAB Cn1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C(N)=O)C2)ccc1=O 257337190 YRUFYWNACZVJEM-INIZCTEOSA-N 354.410 0.197 0 40 FCAB Cc1cc(C(=O)N2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)no1 306125103 CGZGQCJMLUJQAT-QWHCGFSZSA-N 371.397 0.371 0 40 FCAB CCOc1cccc(C(=O)N2C[C@H]3OC[C@@H](CNS(C)(=O)=O)[C@H]3C2)c1 306125386 COJMEPWJOIRPJQ-FVQBIDKESA-N 368.455 0.722 0 40 FCAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(C(=O)c3ccnn3C)C[C@@H]1C2 306144194 YYUCEKHOAMCESC-RYUDHWBXSA-N 357.418 0.094 0 40 FCAB CN(C)C(=O)N1CCC(CNC(=O)C(=O)NCc2ccsc2)CC1 390829403 DZHRZXLCGUIGHQ-UHFFFAOYSA-N 352.460 0.874 0 40 FCAB CCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1cccc2cccnc12 575424966 CWDLEICJGOXYPJ-STQMWFEESA-N 370.452 0.403 0 40 FCAB Cc1cccn(CC(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)c1=O 583618937 KBSIFXUTZNJPTD-GOSISDBHSA-N 359.430 0.839 0 40 FCAB Cc1noc(CC(=O)N2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)n1 585100898 BAOWEPPYMQTNAG-KRWDZBQOSA-N 358.402 0.700 0 40 FCAB CC(C)NC(=O)c1nnc2n1CCN1CCN(C(=O)C3CC(F)C3)C[C@@H]21 585109948 SCXWRLCQTYNNJJ-BPCQOVAHSA-N 364.425 0.363 0 40 FCAB COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)[C@@H]3C[C@H]3C(=O)O)C2=O)c1 649456578 OTVTZUAGGRGPBB-KFWWJZLASA-N 362.382 0.988 0 40 FCAB CN(C1CC1)S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 682701940 YYNPPJGTFFAJAC-UONOGXRCSA-N 367.427 0.342 0 40 FCAB CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C3(CCOC)CCCC3)C2)C1 685942864 RWJPGPKMOMQAAK-ZDUSSCGKSA-N 351.447 0.389 0 40 FCAB O=C(COCc1ccnc(O)c1)NCc1ccnc(N2CCOCC2)c1 1261840426 JJLDELPCLKSYQW-UHFFFAOYSA-N 358.398 0.852 0 40 FCAB O=C(CCc1cncnc1)N1CCc2nnc(CN3CCCC3=O)n2CC1 1565542610 RHCJONNHDICSIX-UHFFFAOYSA-N 369.429 0.208 0 40 FCAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3nnc(C)o3)CC2)n1 2087128270 KCADYMSDHTYXHG-UHFFFAOYSA-N 359.434 0.635 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(Br)cc1 2464866 QHEWSSQVCNWZEN-UHFFFAOYSA-N 360.189 0.935 0 40 FCAB CC[C@H](C)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1 4569032 NZLBBWKRFWAHOK-MQJAHNGFSA-N 353.415 0.523 0 40 FCAB COc1cccc(CCN(CCOC(N)=O)CCOC(N)=O)c1OC 5760305 HSYWIFYCEUAOLF-UHFFFAOYSA-N 355.391 0.739 0 40 FCAB O=C1NC(=O)[C@@H]2NC(=O)N(S(=O)(=O)c3cccc4ccccc34)[C@@H]2N1 6476752 AFOOKWOVMKSLSA-NEPJUHHUSA-N 360.351 0.088 0 40 FCAB CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)CC1 6645462 LAQBVXSPDDEIAL-KOFHJDLBSA-N 350.371 0.474 0 40 FCAB CCN1CCN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)CC1 6953360 XRYDXZZXJSLGOE-UHFFFAOYSA-N 355.460 0.625 0 40 FCAB COc1ccc(C(=O)NC2=NCCS2)cc1S(=O)(=O)NC1CC1 8157061 NGWNEQMGLNBRRQ-UHFFFAOYSA-N 355.441 0.969 0 40 FCAB C/C(Cl)=C/Cn1c(N2CCN(C)CC2)nc2c1c(=O)[nH]c(=O)n2C 13370180 NYRBYTYZRRIDEQ-WMZJFQQLSA-N 352.826 0.318 0 40 FCAB CC1(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)COC1 19661461 NWMJFBSLXHOREJ-UHFFFAOYSA-N 370.427 0.279 0 40 FCAB CNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(C(=O)OC)cc2)o1 31597865 ATLRTVIGVREIET-UHFFFAOYSA-N 366.395 0.947 0 40 FCAB COc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1C(N)=O 32469630 WMVVZTMCQPXGKD-LLVKDONJSA-N 354.428 0.984 0 40 FCAB Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)/C=C\C(=O)O)c(C)c1 32665851 XKBKHHJCSGPFCJ-GEXIGZQTSA-N 359.382 0.600 0 40 FCAB CC(=O)Nc1ccc(CNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 32935182 IQSOAKDFCZJCJQ-UHFFFAOYSA-N 354.432 0.177 0 40 FCAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(N)=O)CC1 40160889 OLIKWYRJROUTPO-QGZVFWFLSA-N 356.426 0.939 0 40 FCAB O=C(NCc1cccnc1-n1cccn1)c1cnc2nc(O)[nH]c(=O)c2c1 48250590 AYKFADIOPPBZBM-UHFFFAOYSA-N 363.337 0.534 0 40 FCAB CC(=O)N1CCCN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1 48365835 CYIBDPGVPWWDKA-QGZVFWFLSA-N 374.420 0.985 0 40 FCAB Cc1cc(C)c(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1 58192901 VUVLHIXHSJFDJS-UHFFFAOYSA-N 351.428 0.488 0 40 FCAB CCOC(=O)Cc1csc(NC(=O)C[C@H](NCCCO)C(=O)O)n1 65090378 LXLKVOOYCDXXSU-JTQLQIEISA-N 359.404 0.003 0 40 FCAB CCC[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1nnn[nH]1 75107562 RJZSVYMEFYMVSV-AAEUAGOBSA-N 356.390 0.277 0 40 FCAB CCOC(=O)N1CCN(C(=O)CCN2C(=O)CC3(CCCC3)C2=O)CC1 79481257 KKTNYXNZUGQKJY-UHFFFAOYSA-N 365.430 0.997 0 40 FCAB CCN(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 103430579 AGDKPWJGZYJNHE-LSDHHAIUSA-N 365.455 0.616 0 40 FCAB COc1ccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1 224173445 SBLWSQUBNAHJCS-UHFFFAOYSA-N 364.427 0.800 0 40 FCAB CCN1CCN(C(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)C(=O)C1=O 245180670 ZFTRXJUWZLABGT-HNNXBMFYSA-N 358.398 0.612 0 40 FCAB C[C@@]1(CO)CC2(CCN(C(=O)c3cnco3)CC2)CN1S(C)(=O)=O 257283946 PAPAXQHQJMMRTP-AWEZNQCLSA-N 357.432 0.313 0 40 FCAB CCS(=O)(=O)NC[C@H]1CN(c2cc(OC)ncn2)Cc2cncn21 306125459 CRUNWOZHERQMDJ-LBPRGKRZSA-N 352.420 0.182 0 40 FCAB CCn1cc(CN2Cc3cncn3[C@@H](CNS(=O)(=O)CC)C2)cn1 306127212 FRVSJOCYKAGGGJ-HNNXBMFYSA-N 352.464 0.596 0 40 FCAB COc1ccc(Cn2nc3n(c(=O)c2=O)CCC32CCN(C)CC2)cc1 306130033 IULQEJABSDUHKY-UHFFFAOYSA-N 356.426 0.829 0 40 FCAB CCS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 330527446 RDCCSEIDECNXJE-CQSZACIVSA-N 374.484 0.302 0 40 FCAB Cn1nccc1[C@H]1[C@H](NC(=O)CCn2ccnn2)CCC(=O)N1C1CC1 502302249 CMEQRALXTFIEFQ-CXAGYDPISA-N 357.418 0.413 0 40 FCAB CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@@H]1CC[S@@](=O)C1)C2 572313284 XXYKECGUSQCCLI-SFDCACGMSA-N 371.484 0.183 0 40 FCAB COc1ccc(S(=O)(=O)N(CCN)[C@]2(C)CCS(=O)(=O)C2)cc1 575424526 AWVLYLRVYVAJRJ-CQSZACIVSA-N 362.473 0.222 0 40 FCAB COCCNC(=O)[C@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H]2CCO[C@H]12 585109029 ORLVTPWCNROHGD-ZMSDIMECSA-N 350.390 0.747 0 40 FCAB COCCNC[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)CC[C@H]1O 585290899 XLVYLXRPHVVKNE-WBVHZDCISA-N 356.850 0.443 0 40 FCAB CN1CCN(Cc2ccncc2)C(=O)C12CCN(C(=O)[C@H]1CCOC1)CC2 1565555467 BBTONWDIGGKMEJ-KRWDZBQOSA-N 372.469 0.753 0 40 FCAB CCN1CCN(C(=O)NC[C@@]2(O)CCCc3sccc32)C(=O)C1=O 1889119497 ZRSMJHZBWTZTDK-INIZCTEOSA-N 351.428 0.672 0 40 FCAB CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 4029401 OLTJNTLCZYWHKR-HNNXBMFYSA-N 365.386 0.254 0 40 FCAB CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OCC(N)=O 4853563 IDBICMDHBPSXKC-UHFFFAOYSA-N 351.746 0.927 0 40 FCAB CCn1nnnc1SCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 8704600 SZHLBOODRIPIDE-UHFFFAOYSA-N 367.435 0.317 0 40 FCAB C[C@@H](NC(N)=O)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11155416 MDRDFPCYAZVSGG-LLVKDONJSA-N 354.432 0.013 0 40 FCAB Cc1csc2c(=O)n3c(nc12)CCN(C(=O)[C@H]1CC(=O)N(C)C1)CC3 13227978 FPNNXBNHFGOUFI-NSHDSACASA-N 360.439 0.629 0 40 FCAB O=C(CN1CCOCC1)N1CCC(O)(Cn2ccc3ccncc32)CC1 13268171 QIUPTEXHWPEOTN-UHFFFAOYSA-N 358.442 0.722 0 40 FCAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCCN(C)C)Oc2ccccc21 13677224 IUNJQRWVUQKYBF-HNNXBMFYSA-N 355.460 0.672 0 40 FCAB Oc1ccc(N2CCN(C(=S)NCCN3CCOCC3)CC2)cc1 21841530 PZASVNJOZLGDRO-UHFFFAOYSA-N 350.488 0.721 0 40 FCAB CCOC(=O)N1CCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)CC1 23292608 ZCSQXPFBVWETOR-UHFFFAOYSA-N 363.201 0.851 0 40 FCAB C[C@H](C(=O)NC(=O)NC1CC1)N1CCN(CC(=O)Nc2ccccc2)CC1 24249940 HYYFTHLHMFNSDU-CQSZACIVSA-N 373.457 0.619 0 40 FCAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CN1CCCC1=O 32906445 UMSWGDMYRYKDLS-UHFFFAOYSA-N 367.427 0.697 0 40 FCAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(N)=O)cc1 40312487 VNHTYSUPUJLEDT-CYBMUJFWSA-N 369.381 0.066 0 40 FCAB biogenic Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC[C@H](NS(C)(=O)=O)C1 48262461 AGAVVMUJJQYBOE-STQMWFEESA-N 357.480 0.378 0 40 FCAB CN(CC(=O)NCc1ccc(-n2cncn2)cc1)[C@H]1CCS(=O)(=O)C1 53544308 NMDDKAVPMTXBTA-HNNXBMFYSA-N 363.443 0.002 0 40 FCAB CC(C)CC(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2S(C)(=O)=O 96251594 LMWBVNMTNOVXCU-QWHCGFSZSA-N 366.505 0.082 0 40 FCAB COCCN1C[C@H]2CCN(C(=O)c3cnc(C)cn3)CC[C@H]2S1(=O)=O 96263798 ULUGQEKYJMCYBW-UKRRQHHQSA-N 368.459 0.298 0 40 FCAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1C(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O 100118177 UEULCXCLKPGFQR-ZAZLLSGESA-N 352.390 0.601 0 40 FCAB CC1=NN(c2cccc(Cl)c2)C(=O)[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 101901896 GADXBLNSNVIWEB-DGCLKSJQSA-N 369.830 0.982 0 40 FCAB O=C1CCC(=O)[C@@]23C4C5[C@H]6[C@H]5[C@H]2n2c(=O)n(-c5ccccc5)c(=O)n2[C@@H]6[C@]143 104283691 XNVICNIWYLYIIP-OVGUFWMDSA-N 361.357 0.321 0 40 FCAB O=CN(CCCCCO[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 217395539 HDKQYCOTFPCXQY-ZIAGYGMSSA-N 367.489 0.006 0 40 FCAB Cc1cccc(C(=O)N2CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]2C)n1 248126451 XDQBVUDFCFOBQK-UONOGXRCSA-N 355.460 0.806 0 40 FCAB CNC(=O)[C@H]1CN(C(=O)Cn2nc(C)cc2C)CCN1Cc1ccccc1 257200693 AENHGLWJHQGOHR-GOSISDBHSA-N 369.469 0.959 0 40 FCAB CN1CCN([C@H]2CC[C@](CNC(=O)CN)(c3ccccc3)CC[C@@H]2O)CC1 257325732 WUENVSHFWWJZBS-ZJOUEHCJSA-N 374.529 0.550 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCOCC1 408627076 XVXXSDUJLCOYPC-UHFFFAOYSA-N 367.471 0.404 0 40 FCAB O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cnn(CCF)c1 578195403 ZQOPACJSGIMFBO-GFCCVEGCSA-N 353.375 0.817 0 40 FCAB CC[C@@H](CO)NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2 583621417 GNXJLRHECQUGRZ-HIFRSBDPSA-N 371.441 0.771 0 40 FCAB Cc1ncc(CN2CCC[C@]3(C2)CN(CCS(C)(=O)=O)C3=O)s1 585099305 CLIRLBKURIFLST-HNNXBMFYSA-N 357.501 0.921 0 40 FCAB CNc1cnc(C(=O)N2CCOC[C@](O)(COc3ccccc3)C2)nc1 585276715 HOSHHHZZBSYVFM-SFHVURJKSA-N 358.398 0.801 0 40 FCAB O=C(NC[C@@H](Oc1ccc(Br)cc1)C(=O)O)[C@@H]1COCCO1 649255186 NJBITGGRESUKQF-NEPJUHHUSA-N 374.187 0.813 0 40 FCAB O=C(c1ccccc1)N1CCO[C@@H]2CN(S(=O)(=O)C3CC3)C[C@@H]2C1 1259272895 RNGHISDQOHFARX-GOEBONIOSA-N 350.440 0.952 0 40 FCAB COc1nc(OC)nc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1889119662 YVUHCKSITMOAKB-LLVKDONJSA-N 353.448 0.681 0 40 FCAB Cc1nnc2c(N3CCC[C@H](N(C)S(=O)(=O)C4CC4)C3)nccn12 2086889460 DFXSOFZDZVWROJ-LBPRGKRZSA-N 350.448 0.826 0 40 FCAB CCc1ccc(-c2nnn(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2)cc1 7041120 FJABENSKXWDRTQ-CQSZACIVSA-N 363.443 0.548 0 40 FCAB COCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 13371433 XTNUPHRYOMKIII-STQMWFEESA-N 351.421 0.001 0 40 FCAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)NCCN1CCOCC1 13655879 WZFOOWYHGOXMMG-UHFFFAOYSA-N 353.814 0.257 0 40 FCAB CN(C)CCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20482147 APQUBRIDCCXIFN-UHFFFAOYSA-N 355.460 0.140 0 40 FCAB Cc1ccn2c(=O)cc(CN3CCN(CC(=O)NC4CC4)CC3)nc2c1 23249082 LUMGRIXRAMRVDM-UHFFFAOYSA-N 355.442 0.399 0 40 FCAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24052263 KWCGWDYSFZYKTG-CYBMUJFWSA-N 360.457 0.331 0 40 FCAB O=C(Cc1noc(C(=O)NCCN2CCOCC2)n1)Nc1ccccc1 31809825 ILEQPBNIPVYDRH-UHFFFAOYSA-N 359.386 0.313 0 40 FCAB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccccc2F)CC1 32771460 HXVAFAXNSRIRAT-UHFFFAOYSA-N 350.437 0.918 0 40 FCAB CN(C(=O)CN1C(=O)CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 32780705 PHFDMBZIBCGFHF-LBPRGKRZSA-N 352.412 0.448 0 40 FCAB O=C(CN1CCN(c2ccc3nnnn3n2)CC1)Nc1cccc(F)c1 57364689 NHKCBJDWFSUQMU-UHFFFAOYSA-N 356.365 0.419 0 40 FCAB COc1ccnc(N2CCN(CC(=O)NC(=O)Nc3ccccc3)CC2)n1 58167505 PYUXDGRQSZMEHR-UHFFFAOYSA-N 370.413 0.956 0 40 FCAB COc1ccc(C(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 58193635 PCNUKKDJCCHWDK-JTQLQIEISA-N 372.381 0.895 0 40 FCAB C[C@@H](CN(C)c1ccccc1)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 58202888 PCUPSTQKTCJZDM-LBPRGKRZSA-N 350.444 0.927 0 40 FCAB NS(=O)(=O)CCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F 61559471 WFNUHZISPHRYMR-UHFFFAOYSA-N 350.315 0.820 0 40 FCAB C/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)c(OC)c1 62001292 UCNVJNROIFMPMC-LCPAHUMOSA-N 367.398 0.051 0 40 FCAB biogenic O=C(COc1ncccn1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 62021854 DAWQLJXAZUKOPV-UHFFFAOYSA-N 366.385 0.180 0 40 FCAB CCNC(=O)[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 69484707 WAZOGGLTVUHLHM-RISCZKNCSA-N 353.444 0.014 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)c2ccc(Nc3ncccn3)cc2)CC1 79487019 OTTSLGMIUPSTON-UHFFFAOYSA-N 361.427 0.938 0 40 FCAB COc1ccc(C(=O)CNC(=O)Cn2nnc3ccccc3c2=O)cc1 95472548 MIEUEYZRTPOSKY-UHFFFAOYSA-N 352.350 0.799 0 40 FCAB O=S(=O)(N[C@H]1CCO[C@]2(CCN(c3ncc(F)cn3)C2)C1)C1CC1 96208540 VVQDMCFQVBJUHZ-SWLSCSKDSA-N 356.423 0.825 0 40 FCAB Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)N1CCOCC1 225584228 FQLNVUYBLHALLV-UHFFFAOYSA-N 365.459 0.593 0 40 FCAB Cc1nc2ccccn2c1CC(=O)N1CC[C@@](O)(CN2CCOCC2)C1 257268012 MJWIYDCEJOVQGW-LJQANCHMSA-N 358.442 0.481 0 40 FCAB CC(=O)N1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1C(=O)N(C)C 257333950 YDVGXRXNCYGHKA-INIZCTEOSA-N 371.441 0.643 0 40 FCAB COCCCNC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1 408608694 RWBFACADLZKJSJ-UHFFFAOYSA-N 360.432 0.143 0 40 FCAB CCc1nc(CNC(=O)[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cnn(C)c2C)n[nH]1 615451238 ZIUIHSBCTXMCCV-SJKOYZFVSA-N 371.445 0.777 0 40 FCAB Cn1cccc(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)c1=O 1565550336 ZHHJAGDWXUDUHT-ROUUACIJSA-N 368.437 0.896 0 40 FCAB Cn1ccnc1[C@]1(CNC(=O)c2cc3c(s2)CCCC3)NC(=O)NC1=O 1616035220 RYCSJXZHTILVDU-KRWDZBQOSA-N 373.438 0.825 0 40 FCAB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)NCc1ccc2c(c1)OCO2 3339157 CBPIXUDDUQLCGM-INIZCTEOSA-N 363.395 0.459 0 40 FCAB COCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 4503510 SVZXMHZARAHYDZ-UHFFFAOYSA-N 362.835 0.737 0 40 FCAB C[C@@H](OC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)C(N)=O 7547607 NJNSMLKEOQRDPV-MNOVXSKESA-N 365.411 0.265 0 40 FCAB CCCCCn1c(=O)c2c(nc3n2CC(C)=NN3CCOC)n(C)c1=O 10387034 UAWATNZYMMQREV-UHFFFAOYSA-N 362.434 0.929 0 40 FCAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)N1CCCCC1 12187887 MOZBISCMRPNVEL-LLVKDONJSA-N 367.427 0.697 0 40 FCAB Cc1nn(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C(C)C)c(C)c1C 12232026 JQVGETGEXPUOQE-UHFFFAOYSA-N 373.417 0.074 0 40 FCAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2cnn(C)c2C)c2ccccc21 13627161 WXWCRTDLXSISAS-HNNXBMFYSA-N 355.398 0.569 0 40 FCAB C[C@@H](C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1)N1CCOCC1 19078509 UXZKSTJTCSOYCN-LSDHHAIUSA-N 359.474 0.549 0 40 FCAB 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COc1ccc(OC)c(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 40097980 VLSGUWRARBIZCK-UHFFFAOYSA-N 372.447 0.660 0 40 FCAB O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)nc1 40287163 GCGQJQXZTWALLM-UHFFFAOYSA-N 360.336 0.877 0 40 FCAB O=C(NC[C@@H]1COc2ccccc2O1)C(=O)Nc1n[nH]c2ncccc12 49543945 PDXKNYPCXUSKLQ-SNVBAGLBSA-N 353.338 0.853 0 40 FCAB COC(=O)[C@H](CC(C)C)NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 62001342 AZYXBXFIDGPPJP-KGLIPLIRSA-N 361.398 0.831 0 40 FCAB biogenic CCCC(=O)N1CCN(c2ccc(N3C[C@H](C(N)=O)CC3=O)cc2)CC1 72228526 XCTRNEYZWCXSAZ-CQSZACIVSA-N 358.442 0.974 0 40 FCAB CCc1ncc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)s1 95998873 VSXZIQHGRCZVPL-LBPRGKRZSA-N 373.500 0.972 0 40 FCAB CSc1ncc(C(=O)N2CCOCC2)c(N2CCC[C@@H](C(=O)O)C2)n1 225011082 WSJIYYLPCZCMAU-LLVKDONJSA-N 366.443 0.972 0 40 FCAB COc1ccc([C@@H](CC(=O)NC[C@@H]2CCCO2)NS(C)(=O)=O)cc1 225954999 MYJWONICJFEMOE-LSDHHAIUSA-N 356.444 0.971 0 40 FCAB CS(=O)(=O)NCC[C@@H]1CN(C(=O)C2CCOCC2)Cc2ccnn2C1 247518230 KMSLSNGATWQTAT-CYBMUJFWSA-N 370.475 0.207 0 40 FCAB Cn1nccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 408476038 JDHOQCMQTRBMNH-LLVKDONJSA-N 354.432 0.406 0 40 FCAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCCN1CCOCC1 408596117 SWLZVOABXVACCB-ZDUSSCGKSA-N 373.450 0.331 0 40 FCAB CNC(=O)C1CCN(C(=O)CN2CCC[C@](CO)(c3ccccc3)C2)CC1 585080182 CXRSOCZYQXVLNA-NRFANRHFSA-N 373.497 0.997 0 40 FCAB NC(=O)c1cc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)nn1-c1ccccc1 677047797 KZQYDQDLCMYGQI-NSHDSACASA-N 366.385 0.504 0 40 FCAB CCc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@]3(COCC(=O)N(C)C3)C2)cn1 1565549389 QNHPINHLFPJRTE-VQIMIIECSA-N 360.458 0.505 0 40 FCAB CCN(C)C[C@H]1COC2(CN(C(=O)c3ccccn3)C2)CS1(=O)=O 2332243070 HLSRTMPKUOPXHQ-ZDUSSCGKSA-N 353.444 0.042 0 40 FCAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nc2ccccc2o1 3307264 LDPCMUATBRHTRT-NSHDSACASA-N 363.395 0.810 0 40 FCAB COC(CN(C)S(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)OC 5153468 DMSHDKVWELCFHQ-UHFFFAOYSA-N 354.428 0.761 0 40 FCAB Nc1c(N(CCO)C(=O)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 6507211 NNYOEFRUXQEEQP-UHFFFAOYSA-N 372.425 0.683 0 40 FCAB Cc1cc(=O)n2c(n1)NC(N1CCN(CCO)CC1)=N[C@H]2[C@H]1CC=CCC1 9289576 KGWUXHJYMMWTBP-DOTOQJQBSA-N 372.473 0.798 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CCC(=O)NC(N)=O)CC2)c1 12849914 KDODUUITIAATRE-UHFFFAOYSA-N 368.459 0.195 0 40 FCAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCN(C(=O)c2ccco2)CC1 14075500 ANLXLBZHGQQPOT-KBPBESRZSA-N 371.393 0.515 0 40 FCAB COc1ccccc1N1CCN(C(=O)CN2CCNC(=O)C2(C)C)CC1 19658067 LYMQLXOQVUUAAT-UHFFFAOYSA-N 360.458 0.554 0 40 FCAB CNC(=O)c1cc2c(nc1N)CCN(C(=O)COC[C@@H]1CCCCO1)C2 19701153 VDJAUKAGWTXTKI-ZDUSSCGKSA-N 362.430 0.494 0 40 FCAB COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)cc(C(=O)OC)c1 20744515 FDUHQLJIELMNBN-LLVKDONJSA-N 373.325 0.373 0 40 FCAB COc1cc2ncn(CC(=O)N[C@H](C(=O)O)C(C)C)c(=O)c2cc1OC 20762004 PEMORKAGKXKBHM-HNNXBMFYSA-N 363.370 0.639 0 40 FCAB biogenic NS(=O)(=O)c1ccc(CNC(=O)C(=O)NCCc2ccccc2)cc1 20768945 ZNABVXWTXOYNIH-UHFFFAOYSA-N 361.423 0.309 0 40 FCAB CCCn1c(=O)n(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc21 22551969 FAJNVPSJBUXTOP-QGZVFWFLSA-N 365.455 0.906 0 40 FCAB C[C@H](NC(=O)C(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 40043285 ABEYLKYEHFIQQF-NSHDSACASA-N 355.460 0.544 0 40 FCAB CCN1CCN(CC(=O)N2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)CC1 40386193 LHNCCEGKRNPEGZ-KRWDZBQOSA-N 370.453 0.802 0 40 FCAB CNC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 42389205 VDEVLSLKOFGIKE-LLVKDONJSA-N 355.341 0.755 0 40 FCAB CN1CCOc2ccc(NC(=O)CCn3ccc(=O)[nH]c3=O)cc2C1=O 49508068 XFSFFNLICPBBDJ-UHFFFAOYSA-N 358.354 0.030 0 40 FCAB COC(=O)c1ccc(S(=O)(=O)NCCNc2cnccn2)c(C)c1 51137303 BDNDVDBLNZOFID-UHFFFAOYSA-N 350.400 0.962 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ncccc2O)CC1 58280326 STBXMQCTAVRCBL-UHFFFAOYSA-N 366.399 0.539 0 40 FCAB CCCS(=O)(=O)N1CCC(n2nnn(-c3ccccc3)c2=O)CC1 72335795 JKRBFLMARVJYOF-UHFFFAOYSA-N 351.432 0.806 0 40 FCAB O=S(=O)(N[C@H]1CN(CCCO)C[C@@H]1c1ccccc1)N1CCCC1 91381612 LXESFXWFFHXEIX-SJORKVTESA-N 353.488 0.767 0 40 FCAB C[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CCO1 95941998 KNINYVGJXXXMOJ-GFCCVEGCSA-N 352.412 0.723 0 40 FCAB COc1cccc(C(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(C)S4(=O)=O)O3)c1 96146067 OQHWJMBVMLLMMP-IJEWVQPXSA-N 352.412 0.323 0 40 FCAB O=C(Nc1cccnc1-n1cncn1)N1CCN(c2cnccn2)CC1 108922888 HBENJMKEIDEWJY-UHFFFAOYSA-N 351.374 0.806 0 40 FCAB O=C1SCC[C@@H]1NC(=O)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 227686135 MVUDFLSAKKHRAT-NEPJUHHUSA-N 373.442 0.422 0 40 FCAB O=C(CCn1cnc2ccccc2c1=O)N1CC(Nc2ncccn2)C1 238809974 ABJZQOADGRMBAY-UHFFFAOYSA-N 350.382 0.900 0 40 FCAB Nc1nc(N)c2c(n1)OC1(CCN(C(=O)C[C@@H](N)c3cccnc3)CC1)C2 257230877 GEHZCWQKDOSABZ-CYBMUJFWSA-N 369.429 0.422 0 40 FCAB COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)NCc2ccccc2)[C@H]1O 514289060 PYAVVJBCSMHNIH-VSZNYVQBSA-N 363.458 0.725 0 40 FCAB biogenic,in-vitro COCc1cccc(C(=O)N2CCO[C@@H](CN(CC(=O)O)C(C)=O)C2)c1 681941803 GSNBZRFXUJSUFK-MRXNPFEDSA-N 364.398 0.607 0 40 FCAB O=C1C[C@@]2(CCN(C(=O)NCc3ccc4c(c3)CCS4(=O)=O)C2)CN1 683987606 HHJWSSVBYVGPOM-KRWDZBQOSA-N 363.439 0.438 0 40 FCAB COCCN1C[C@H]2C(=O)N(C)C3(CCN(C(=O)c4cc[nH]n4)CC3)[C@H]2C1 1565546742 JLPVFEHSAQDOAL-KGLIPLIRSA-N 361.446 0.051 0 40 FCAB O=C(Nc1ccccc1)[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1 1565546803 KJSJFEPAURWSBW-GFCCVEGCSA-N 351.370 0.912 0 40 FCAB CS(=O)(=O)N1C[C@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)[C@H]2C1 1565553972 NJJUGUWKPZZIKM-CABZTGNLSA-N 354.819 0.704 0 40 FCAB Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(C(=O)[C@H]4CCOC4)C[C@H]3O2)cn1 1614929421 NQBNYFQAYCYLQR-NXNVCVFFSA-N 374.441 0.444 0 40 FCAB COc1ccc(CC(=O)N2C[C@H]3CCN(S(C)(=O)=O)[C@H]3C2)cc1F 2055771936 KOWQUTLKXYJTSI-OCCSQVGLSA-N 356.419 0.869 0 40 FCAB Cc1nnc2ccc(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)nn12 2086884676 HVDRNBHWCZCSOK-GFCCVEGCSA-N 366.372 0.896 0 40 FCAB Nn1c(CCn2nnc3ccccc32)nnc1CCn1nnc2ccccc21 5605105 RSMTYKWNTNUTBO-UHFFFAOYSA-N 374.412 0.967 0 40 FCAB CNCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8297631 HVGGFWJLCRZLFU-UNEWFSDZSA-N 358.446 0.617 0 40 FCAB biogenic,in-vitro CSCC[C@H](NC(=O)CCn1c(O)nc2ccccc2c1=O)C(=O)O 8739510 GHKWZOMDTMZQJV-LBPRGKRZSA-N 365.411 0.815 0 40 FCAB biogenic O=C(NCCCn1ccnc1)C1CCN(c2ncnc3nc[nH]c23)CC1 9060252 CKFXKPRRXBKYEO-UHFFFAOYSA-N 354.418 0.972 0 40 FCAB Cn1c(=O)n(CCC(=O)N2CCOCC2)c(=O)c2c3c(sc21)CCC3 12408383 XICUQDNFKTWILU-UHFFFAOYSA-N 363.439 0.499 0 40 FCAB CN(C)c1ncc(CN2CCCC[C@@H]2CCNS(=O)(=O)N(C)C)cn1 19745788 IBKCEDYPLAZUMX-OAHLLOKOSA-N 370.523 0.683 0 40 FCAB CN(Cc1ccsc1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23957567 LJTHAUJPSRTWDP-GFCCVEGCSA-N 369.468 0.872 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)O[C@@H](C(N)=O)c2ccccc2)CC1 32882575 ZDOBMHTXRPOIGX-CQSZACIVSA-N 354.428 0.818 0 40 FCAB Cn1c(Cn2ccc(=N)cc2)c(C(=O)c2ccc(F)cc2)c(=O)n(C)c1=O 36357852 DEDXNVMQZZTGDE-UHFFFAOYSA-N 368.368 0.783 0 40 FCAB C[C@H](NC(=O)c1ccoc1)C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 40153131 MRJPBKQGYMEKSV-VOJFVSQTSA-N 370.365 0.896 0 40 FCAB CN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCN(Cc2ccccc2)C1 74445971 ODYUBHUXHBPVOY-HNNXBMFYSA-N 356.430 0.500 0 40 FCAB CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C1 84791017 SBGVRLSGXWJKEC-NEPJUHHUSA-N 356.492 0.854 0 40 FCAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)C2SCCS2)C[C@@H](C)O1 95445129 DUSPSWISURQMLM-NXEZZACHSA-N 354.519 0.348 0 40 FCAB CC(=O)NCC(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 96001412 QWTKNAWJRXWHQV-SFHVURJKSA-N 372.469 0.458 0 40 FCAB CN(C)c1nccc(N2CCO[C@H]3CN(C(=O)c4ccncc4)C[C@H]32)n1 96248875 HWLKRVUWJJEFCU-CABCVRRESA-N 354.414 0.667 0 40 FCAB Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)c3nccn3C)C2)ccc1F 225679363 QOOJCNZFBLMFMA-UHFFFAOYSA-N 373.431 0.714 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)Cc2cccs2)Cc2ccnn21 247538491 RISGQRXNEMRZQC-LBPRGKRZSA-N 354.457 0.620 0 40 FCAB CN(C)S(=O)(=O)N1CC2(C1)OCC[C@H]2CCOCc1ccncc1 247923913 DBSQGZWKZCNXED-OAHLLOKOSA-N 355.460 0.886 0 40 FCAB Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNS(C)(=O)=O)C2)cn1 248107477 PPLWURMHXCYYIL-ZDUSSCGKSA-N 363.443 0.408 0 40 FCAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cncc(-c3cnn(C)c3)n2)C1 257252951 JWWODRZXBOGDNW-LBPRGKRZSA-N 350.448 0.548 0 40 FCAB C[C@]1(CO)CC2(CCN(C(=O)c3cnco3)CC2)CN1S(C)(=O)=O 257283947 PAPAXQHQJMMRTP-CQSZACIVSA-N 357.432 0.313 0 40 FCAB CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccccc1F 409025281 SREHJDYWNOHSIU-UHFFFAOYSA-N 357.407 0.316 0 40 FCAB O=C(CN1CCN(c2ccnc(N3CCOCC3)n2)CC1)N1CCCC1 498886772 CBKDBWWGVINGKL-UHFFFAOYSA-N 360.462 0.058 0 40 FCAB CCN(Cc1nnc(C)o1)[C@@H]1CN(C(=O)c2scnc2C)C[C@H]1O 583621738 DWJNEIANORYBFF-VXGBXAGGSA-N 351.432 0.850 0 40 FCAB COC[C@H]1Cc2c(ncn2C)CN1S(=O)(=O)c1c(C)nn(C)c1C 585094739 JYAHPAHPIDTGSW-GFCCVEGCSA-N 353.448 0.532 0 40 FCAB Cn1ccnc1S(=O)(=O)C1CN(S(=O)(=O)Cc2ccccc2F)C1 585323122 ZWXUJINVRTVNTC-UHFFFAOYSA-N 373.431 0.547 0 40 FCAB Cc1cnnn1Cc1nnn2c1CN(C(=O)CN1CCCCC1)CCC2 1565555151 UOOZNGQMLIUGOW-UHFFFAOYSA-N 358.450 0.445 0 40 FCAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cnc[nH]5)C[C@H]4C3)nn12 1888904354 CVZOREJTGYCOHT-TXEJJXNPSA-N 352.402 0.618 0 40 FCAB Cn1cnc(C(=O)N2Cc3nnn(C)c3[C@H](COCc3ccncc3)C2)n1 2055750822 BWIYLFVOZXZFFS-ZDUSSCGKSA-N 368.401 0.295 0 40 FCAB CCCCSC[C@H](NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O)C(=O)OC 1735211 DMGBMAFCALOMMR-SYTKJHMZSA-N 369.443 0.576 0 40 FCAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCO)cc1Cl 4778314 HDDUHHQLZLPMAW-VIFPVBQESA-N 350.824 0.514 0 40 FCAB Cn1cccc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 5205022 NIIDYXMWILYDCL-UHFFFAOYSA-N 365.411 0.188 0 40 FCAB COc1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 6033816 XHHRQOPKVFXZSV-UHFFFAOYSA-N 358.354 0.334 0 40 FCAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c2ccccc2O1 6851012 MBBSTRKXVSBXHY-WBMJQRKESA-N 369.377 0.908 0 40 FCAB C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC(N)=O 9377674 LGCMRQBYHRDVEN-MRVPVSSYSA-N 358.383 0.784 0 40 FCAB O=C(NC1CC1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12030902 LFAZKZSKFDFVAS-NSHDSACASA-N 361.416 0.679 0 40 FCAB O=C(Nc1ccccc1F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12775192 YFAWHDUNUUWFPD-JTQLQIEISA-N 353.375 0.930 0 40 FCAB Cc1ccccc1OCCN(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 14094199 UKJLPVOWDORHOK-UHFFFAOYSA-N 372.425 0.956 0 40 FCAB COc1ccc(CCNC(=O)CSc2cc(=O)[nH]c(N)n2)cc1OC 18211745 DMDYWWWHUQKOBX-UHFFFAOYSA-N 364.427 0.820 0 40 FCAB CN1CCN(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)CC1 22822185 UBFKBJHHXQSYQZ-UHFFFAOYSA-N 354.476 0.425 0 40 FCAB COc1ccc(CN(C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1F 32538912 GTAHBUGUFQCZQV-UHFFFAOYSA-N 364.377 0.129 0 40 FCAB COC(=O)[C@H](C)N(C(=O)Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 32641425 VHTLCHVMEPVXKG-GXTWGEPZSA-N 369.439 0.815 0 40 FCAB COCc1cccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 40114032 PQVYZZBPAAJOPU-UHFFFAOYSA-N 361.423 0.947 0 40 FCAB O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 44456587 LKSNHNPHHNEYTH-RYUDHWBXSA-N 354.403 0.730 0 40 FCAB C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 48273334 VZMNBDRCFIPQEV-DGCLKSJQSA-N 368.459 0.587 0 40 FCAB Cn1ncc2c1CCC[C@@H]2NC(=O)COc1ccc(-n2cnnn2)cc1 71195566 YEPKNKLIAKLESE-HNNXBMFYSA-N 353.386 0.968 0 40 FCAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC1 76094083 NPMUYWWYXYZSMP-GJZGRUSLSA-N 373.519 0.212 0 40 FCAB O=C(CNC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)NCCO 89787961 YAXFCAYZPULTSP-UHFFFAOYSA-N 351.794 0.815 0 40 FCAB COC(=O)CN(C)C(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 95349973 PFUSXKMTHSYYGV-OLZOCXBDSA-N 354.403 0.600 0 40 FCAB CCN1C(=O)C(=O)N(CN2CCN(Cc3cc(C)ccc3OC)CC2)C1=O 96191551 KCAGGYLSKCSJNQ-UHFFFAOYSA-N 374.441 0.889 0 40 FCAB Cn1ccnc1CN1CC[C@H]2[C@@H](CC1)OCCN2S(=O)(=O)C1CC1 96249485 DPASSACOARWACY-LSDHHAIUSA-N 354.476 0.578 0 40 FCAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(S(=O)(=O)CC(C)C)C[C@@H]32)N=C1C 96261529 MWQFHFBUCNBVSG-HLLBOEOZSA-N 371.503 0.960 0 40 FCAB CNS(=O)(=O)c1ccc(C)c(NC(=O)CCN2C(=O)CCC2=O)c1 225873949 DMCIRGIPTPYYRU-UHFFFAOYSA-N 353.400 0.381 0 40 FCAB Cc1cc(O)nc([C@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)n1 257218448 DDFFURGZXYPXIU-CYBMUJFWSA-N 356.448 0.288 0 40 FCAB Cc1n[nH]c(C)c1CCC(=O)NC[C@@]1(O)CCCN(c2ncccn2)C1 257234863 GVKCQAXNQGCFLH-SFHVURJKSA-N 358.446 0.897 0 40 FCAB CC(=O)N1CCc2nc3n(c(=O)c2C1)CC[C@]31CCN(C(=O)NC(C)C)C1 306136646 PZEKHKARVRWVBJ-IBGZPJMESA-N 373.457 0.613 0 40 FCAB COCCN1CC[C@]2(CN(C(=O)c3cnccn3)CC(F)(F)C2)C1=O 585093109 CMVDNQSAGNOYFS-HNNXBMFYSA-N 354.357 0.823 0 40 FCAB Cc1nnc2n1C[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)N(C)C2 644241174 IPTUNTIPRYFZEM-MRXNPFEDSA-N 358.421 0.888 0 40 FCAB Cn1c(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccncc2)cccc1=O 2055750733 USRVORVLJVCTNC-DLBZAZTESA-N 354.410 0.506 0 40 FCAB Nc1nc(C(=O)N2CCOCC2)nn1S(=O)(=O)c1ccc(Cl)cc1 807057 DBCFFYPSQVSGNR-UHFFFAOYSA-N 371.806 0.223 0 40 FCAB CC12C=C(Cl)C(Cl)([C@H](C(=O)O)[C@@H]1C(=O)O)[C@H](C(=O)O)[C@H]2C(=O)O 4611551 GAUWFYWDNGIVSY-SJCWSRECSA-N 367.137 0.923 0 40 FCAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCc2nnc3ccccn23)c1 5489360 SKXFTVHZJSFVFC-UHFFFAOYSA-N 373.438 0.952 0 40 FCAB NC(=O)c1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c2ccccc12 8277556 LBFFTQFBAMKYRR-UHFFFAOYSA-N 354.341 0.951 0 40 FCAB CCNC(=O)CNC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 8502087 GUCMLYBRDVZMFZ-LJQANCHMSA-N 372.425 0.412 0 40 FCAB O=S1(=O)c2cc(S(=O)(=O)n3ccnc3)ccc2N=C2NCCCN21 8657517 AAHQPNUNMIWCTJ-UHFFFAOYSA-N 367.412 0.105 0 40 FCAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 8769384 LUQMYUDMLWOLHK-UHFFFAOYSA-N 355.391 0.921 0 40 FCAB CN1[C@@H](C(=O)NC[C@@H]2CCCO2)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 12129718 MOFKQHGRZGWRNL-SOUVJXGZSA-N 371.434 0.701 0 40 FCAB CCOc1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)O)cc1 13990352 XDAYEGBJZMUSBK-UHFFFAOYSA-N 373.369 0.661 0 40 FCAB C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2F)CC1 14914916 CAXWAUQRZDTBAG-KGLIPLIRSA-N 369.462 0.640 0 40 FCAB Cn1cc2c(n1)[C@H](C(=O)N1CCOCC1)CN(C(=O)c1cccnc1)C2 19696324 DCFLAIFSVBZRNX-OAHLLOKOSA-N 355.398 0.414 0 40 FCAB O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)N[C@H]1CCS(=O)(=O)C1 30831813 GDRVDTYZMBRPTM-VIFPVBQESA-N 357.457 0.044 0 40 FCAB COC(=O)c1ccc(Cl)cc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 48264723 DDDYFAVSNZEPIZ-SNVBAGLBSA-N 361.803 0.809 0 40 FCAB CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)COC)cc1 67896977 JZVJBUFGZCZLBN-CRAIPNDOSA-N 366.414 0.569 0 40 FCAB biogenic,in-vitro COc1ccc(NC(=O)C[C@@H](CN2CCN(C(C)=O)CC2)C(=O)O)cc1 71280276 YJJBJRHGSSIQLX-AWEZNQCLSA-N 363.414 0.889 0 40 FCAB Cc1cc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n2ncnc2n1 95469898 GJWJBJUVQYGQCP-UHFFFAOYSA-N 356.390 0.490 0 40 FCAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1c2c(nn1C)CCC2 95959006 LYOGMDUCDVHXKI-VIFPVBQESA-N 367.431 0.819 0 40 FCAB COC(=O)c1sccc1S(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 96025319 VOQZYKJADFLIHX-QMMMGPOBSA-N 353.443 0.342 0 40 FCAB CN1C(=O)[C@@H](NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)c2ccccc21 101678125 WILATQFAMXTWRY-ZBFHGGJFSA-N 370.409 0.832 0 40 FCAB Cn1cnc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3CCN2CCCC2=O)c1 248001707 APESARZQBMABTJ-ZDUSSCGKSA-N 368.459 0.212 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)NC[C@@]1(O)CCCN(c2ncccn2)C1 257231922 GIRVTQXGKAYCHS-SFHVURJKSA-N 358.446 0.517 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cnc(-c3nccn3C)cn2)C1 257254510 KDKHMZOGESOIFO-ZDUSSCGKSA-N 364.475 0.938 0 40 FCAB Cc1n[nH]c(C)c1CC(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1 257285845 PJDJZNDKXREDCF-KRWDZBQOSA-N 355.442 0.767 0 40 FCAB Cn1nc(C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)ccc1=O 390829297 DJFBGZQJXIAFBO-UHFFFAOYSA-N 372.410 0.424 0 40 FCAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 408601367 GASWXFUBNYZOMC-NSHDSACASA-N 369.443 0.086 0 40 FCAB NCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575424946 CRBZHUAPYVXQSH-ZDUSSCGKSA-N 369.468 0.371 0 40 FCAB COc1ccc(S(=O)(=O)N2Cc3ncn(C)c3C[C@H]2CO)cc1F 585094861 QTBGHYNAFIBVSI-JTQLQIEISA-N 355.391 0.676 0 40 FCAB CO[C@H]1[C@H](CNC(=O)Cn2c(=O)oc3ccccc32)COC[C@H]1OC 643585392 FVWVYDOUBGDPRI-XFJVYGCCSA-N 350.371 0.387 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1cccc(COC)c1 643705137 JZTHTTOCURXXOB-MRXNPFEDSA-N 356.444 0.749 0 40 FCAB CCc1nc(S(=O)(=O)N[C@@H](CO)c2cnn(C)c2)cn1CC1CC1 659934607 QUGSRSOXPCDPGL-ZDUSSCGKSA-N 353.448 0.601 0 40 FCAB O=C(CCc1ccc[nH]1)N1CCOC[C@@]2(C[C@H](Cn3cnnc3)CO2)C1 1565547104 KPKQDVKYQRMAIV-CRAIPNDOSA-N 359.430 0.873 0 40 FCAB CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)COc3cc(F)ccc3F)C[C@H]12 2055713723 CPPDXAPJYLSXPJ-GXFFZTMASA-N 353.325 0.645 0 40 FCAB O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NCC1CCCCC1 3502393 XYGNGVXKKRWYDL-UHFFFAOYSA-N 373.409 0.930 0 40 FCAB O=C(NCCS(=O)(=O)NCc1ccco1)c1ccc2c(c1)OCO2 4941083 AWVQUZHBPJCGOT-UHFFFAOYSA-N 352.368 0.858 0 40 FCAB COc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCOCC3)N2)c(OC)c1 6661844 WUHCTAFFAUJYAS-ZDUSSCGKSA-N 362.386 0.219 0 40 FCAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)N1CCOCC1 11904561 RRMMJFHHXOWMDD-UHFFFAOYSA-N 374.440 0.082 0 40 FCAB Cn1c(=O)c2c(nc3n(CCCO)c(-c4cccs4)cn23)n(C)c1=O 12427920 GDIHWQJVCISMBS-UHFFFAOYSA-N 359.411 0.797 0 40 FCAB CN(CC(=O)NC(C)(C)C)CC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 12785653 YFBMAJLNLGSTJE-ZDUSSCGKSA-N 359.492 0.011 0 40 FCAB CNS(=O)(=O)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 12975534 XMLHGRYSGDULNP-UHFFFAOYSA-N 373.394 0.338 0 40 FCAB COc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(=C(C)C)NN32)c(OC)c1 14607195 CQHMBLKTFVEXMS-GFCCVEGCSA-N 359.386 0.958 0 40 FCAB C[C@@H](C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1)N1CCOCC1 19078492 IZEPOJOAENDPJT-HOTGVXAUSA-N 373.501 0.891 0 40 FCAB CN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 23184190 XSBOSZYXDYHMSN-MYSGNRETSA-N 371.393 0.396 0 40 FCAB CN1C(=O)C(=O)N(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)C1=O 25490428 VSOLKWBRFKKSNY-UHFFFAOYSA-N 370.365 0.569 0 40 FCAB CCCCn1c(SCC2=C(C(=O)OCC)CNC(=O)N2)n[nH]c1=O 32574352 XKJJJFFTMIGIGO-UHFFFAOYSA-N 355.420 0.594 0 40 FCAB CCN1CCN(Cc2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cc2)CC1 40089971 JBASJLQASVBWGS-UHFFFAOYSA-N 371.441 0.313 0 40 FCAB COc1cccc2c1ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)O 40312880 PRGGPIDUNBYBCL-GFCCVEGCSA-N 362.386 0.668 0 40 FCAB biogenic COc1ccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1F 48287989 LJZJUEIUJYZGOA-JQWIXIFHSA-N 370.402 0.808 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)NCc3ccc(C4OCCO4)cc3)cnc21 51378818 PWNMXUYNMLSFJX-UHFFFAOYSA-N 369.381 0.492 0 40 FCAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1 72311585 IIBIKRDBHTVRBP-UHFFFAOYSA-N 360.458 0.441 0 40 FCAB CN(C)c1cc(NC[C@H]2CC[C@]3(COCCN(C(N)=O)C3)O2)ncn1 96063527 IHSOYUCGVKFNMZ-WBMJQRKESA-N 350.423 0.283 0 40 FCAB CN1CCN(C(=O)[C@@H]2C[C@]3(CO2)CN(C(=O)N(C)C)c2ccccc23)CC1 96144555 SVQPCGFFSUARSB-FXAWDEMLSA-N 372.469 0.989 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1cccn1C)C2 96230540 UVEZJVYGVRHJLX-SFHVURJKSA-N 356.430 0.322 0 40 FCAB CC[C@H](C)NC(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(C)c1)C2=O 98213144 URYYVVOIGYAVSZ-AWEZNQCLSA-N 371.441 0.924 0 40 FCAB O=C1CCC(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)=NN1 225723063 DWDUJTXYVHRYBF-UHFFFAOYSA-N 370.335 0.846 0 40 FCAB CS(=O)(=O)CC(=O)N1CC2(C1)OCC[C@H]2CCNc1ccccn1 247487145 AIUHKABCVWLPHG-CYBMUJFWSA-N 353.444 0.546 0 40 FCAB Cc1nc(C(=O)N2CCOC[C@@H](CCNS(C)(=O)=O)[C@@H]2C)cs1 248054404 TXUGBDMUSQQKEI-CMPLNLGQSA-N 361.489 0.868 0 40 FCAB CC1(C)[C@H]2O[C@H]2[C@H]2[C@@]1(O)[C@@H](O)C[C@]13C[C@](C)(O)[C@@H](CC[C@H]1[C@@]2(C)O)[C@@H]3O 257575381 VUMZHZYKXUYIHM-NHUWIZSCSA-N 368.470 0.185 0 40 FCAB biogenic Cn1cc(N2CCN(C(=O)c3nn(C)cc3Br)CC2)cn1 293250780 PDERPRZBWGIQBN-UHFFFAOYSA-N 353.224 0.879 0 40 FCAB Cc1cc(C)cc(CN2CC[C@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)c1 306143447 YCOVHXXXSVMSJM-IBGZPJMESA-N 356.426 0.734 0 40 FCAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1ccc(OCCOC)cc1 643551295 XQEFPHDTYHBWOA-OIISXLGYSA-N 353.415 0.542 0 40 FCAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 1518775579 UROUJZAMASXJGT-INIZCTEOSA-N 373.409 0.980 0 40 FCAB O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NCc1cnc[nH]1 1549160807 HQLXRBPUGWYINE-GVDBMIGSSA-N 358.377 0.725 0 40 FCAB COCC(=O)N1CCN2C(=O)OC3(CN(c4ccc(F)cn4)C3)[C@H]2C1 1549161892 PPNRJKBGRLRFKP-GFCCVEGCSA-N 350.350 0.089 0 40 FCAB CN1CCN(C[C@@H]2CC[C@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)O2)CC1 1565555088 RDGWMGNNUOHVCO-AOIWGVFYSA-N 367.490 0.047 0 40 FCAB COCC(=O)N1CCC(Nc2ccccc2)(C(=O)N=c2ccn(C)[nH]2)CC1 2055759440 ZQTFSCGGWWCRPU-UHFFFAOYSA-N 371.441 0.900 0 40 FCAB CC[C@@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COC(C)C 625959 ZNQWANUJEPNPPI-GHMZBOCLSA-N 353.423 0.420 0 40 FCAB CCS(=O)(=O)c1nc2ccccc2n1Cc1nc(N)nc(N(C)C)n1 1443698 MRIDBBNXLSJCCY-UHFFFAOYSA-N 361.431 0.711 0 40 FCAB CCOC(=O)[C@]1(n2[nH]c(=O)n(-c3ccccc3)c2=O)CC(C)(C)OC1=O 1566699 YZTJNTGXEYSZIY-QGZVFWFLSA-N 361.354 0.311 0 40 FCAB O=C(NCCS(=O)(=O)NCc1ccccn1)c1ccc2c(c1)OCO2 4330329 DDPLDNIOLJTPFP-UHFFFAOYSA-N 363.395 0.660 0 40 FCAB CCN1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 4374424 OKZDDCGOQYMVPE-CQSZACIVSA-N 374.441 0.910 0 40 FCAB COC(=O)[C@H](C)OP(=O)(O[C@@H](C)C(=O)OC)O[C@@H](C)C(=O)OC 5734998 YUSSXEPQAPSKDM-CIUDSAMLSA-N 356.264 0.829 0 40 FCAB COc1ccc([C@H](CC(=O)O)NC(=O)CSc2nc(N)n[nH]2)cc1 8208817 XMGACUPBWMKXJG-JTQLQIEISA-N 351.388 0.820 0 40 FCAB NS(=O)(=O)c1ccc(CNC(=O)Cn2cnc3ccccc3c2=O)cc1 9303403 PDQIZOZITVJMPB-UHFFFAOYSA-N 372.406 0.360 0 40 FCAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Nc2ncccc21 19346614 ZPDHMZNNJONSPE-SFHVURJKSA-N 357.414 0.568 0 40 FCAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1cc(=O)n(C)c(=O)n1C 32611736 WMMFKAAILHKVSQ-MRVPVSSYSA-N 359.308 0.807 0 40 FCAB C[C@@H](NC(=O)c1ccoc1)C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 40153130 MRJPBKQGYMEKSV-ADLMAVQZSA-N 370.365 0.896 0 40 FCAB COc1ccc([C@@H]2OC[C@@H]3O[C@@H](OC)[C@H](NC(C)=O)[C@@H](O)[C@H]3O2)cc1 44169493 BQXAGUXLANKRHQ-JXMXSTLTSA-N 353.371 0.346 0 40 FCAB in-vitro CN(CC(C)(CO)CO)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 95446506 APIORTNFKSTJGB-UHFFFAOYSA-N 365.430 0.614 0 40 FCAB CN(C)S(=O)(=O)NC[C@H]1OCCc2cn(CC3CCOCC3)nc21 96044448 YMSBHYUTPKYWMS-CQSZACIVSA-N 358.464 0.320 0 40 FCAB COCCN1CCN(C(=O)[C@@H]2[C@H]3C(=O)Nc4ccccc4C(=O)[C@@]32C)CC1 100217138 YELASBLNYHJEAH-FTRWYGJKSA-N 371.437 0.864 0 40 FCAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC3CCCCC3)[C@@H](O)[C@H]2O1)N1CCOCC1 225514313 VIXRDHONYHPAKS-SGFSRKTBSA-N 368.474 0.443 0 40 FCAB biogenic,in-vitro Cn1nc2c(cc1=O)C[C@@H](C(=O)NCCCNC(=O)OC(C)(C)C)CC2 238900393 RKZSTRNRRUYLML-LBPRGKRZSA-N 364.446 0.916 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)Cc2cccs2)Cc2cncn21 247529999 OJPJERWNOHRMOX-GFCCVEGCSA-N 354.457 0.620 0 40 FCAB Cc1c(CCC(=O)N(C)C[C@@]2(O)CCN(c3ncccn3)C2)cnn1C 257219180 DFWVAXKARUIWHI-SFHVURJKSA-N 358.446 0.551 0 40 FCAB OCCCOc1ccc(CNC[C@]2(O)CCN(c3ncccn3)C2)cc1 257260159 LBNJAJUNKZJBPO-LJQANCHMSA-N 358.442 0.969 0 40 FCAB COC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408626225 VCXDLJLMXBHGGE-ZDUSSCGKSA-N 356.444 0.781 0 40 FCAB O=C(Cn1cncn1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643574996 HSOIHEOYUFLBAC-DLBZAZTESA-N 374.441 0.634 0 40 FCAB CCN1CCN(C2CN(C(=O)c3c(C)oc4ncn(C)c(=O)c34)C2)CC1 1123964551 KVHXGZBFCIGXKC-UHFFFAOYSA-N 359.430 0.297 0 40 FCAB CC1=NN(CN2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C 1554502657 XJJAICBTVPGTMX-GFCCVEGCSA-N 359.434 0.634 0 40 FCAB Cc1ncnc(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)c1C 1565542189 FZIPASMAYFKXBA-UHFFFAOYSA-N 370.457 0.821 0 40 FCAB Cc1nc(N2CCCC2)cc(N2CCN(CC(=O)N3CCOCC3)CC2)n1 1889116958 BLXFSKBEEGGWTM-UHFFFAOYSA-N 374.489 0.366 0 40 FCAB Cc1cc(=O)n(CC(=O)N2C[C@@H]3CN(c4ccc(F)cn4)C[C@H]3C2)cn1 2298200126 WOHNRLKBZAJMAM-KBPBESRZSA-N 357.389 0.681 0 40 FCAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCOCC1 807100 KLZOGPRAORXWNS-UHFFFAOYSA-N 357.345 0.580 0 40 FCAB O=C(OC[C@@H](O)C(O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1 1641006 UVZWLAGDMMCHPD-HZPDHXFCSA-N 360.362 0.783 0 40 FCAB biogenic COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnnn2C)c1 3264939 QQSLFVUYFJZRIX-UHFFFAOYSA-N 365.371 0.514 0 40 FCAB NC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 4512046 ANGXVNSWESGKMR-UHFFFAOYSA-N 359.363 0.569 0 40 FCAB OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1O 5683197 MRPKNNSABYPGBF-DPYKFYPSSA-N 357.370 0.050 0 40 FCAB biogenic,in-vitro CC(=O)NCCc1ccc(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1 8267151 POCANMGHEGKDRS-UHFFFAOYSA-N 373.409 0.995 0 40 FCAB NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NC2CCCCCC2)cc1 10327114 BDQQXJVEZJVZRA-UHFFFAOYSA-N 367.471 0.832 0 40 FCAB COC(=O)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C 10386340 HJJAUFAHFMRKKH-UHFFFAOYSA-N 374.422 0.747 0 40 FCAB COc1ccc(N2CCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 12647833 XTFUMPIVGFBIPG-UHFFFAOYSA-N 371.397 0.439 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2NC(=O)NCCC(=O)O)cc1 16807963 JBCPDQSXNSWQLU-CYBMUJFWSA-N 355.416 0.880 0 40 FCAB CCOC(=O)N(C)CC(=O)N[C@H](C)c1ccc(-n2cc(C(N)=O)nn2)cc1 58283454 OZSCAZIWJWJOIN-LLVKDONJSA-N 374.401 0.632 0 40 FCAB CC(C)CS(=O)(=O)CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1 95956899 NIPOLXHRYFXVDJ-UHFFFAOYSA-N 356.400 0.510 0 40 FCAB COCCNC(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 96266107 OTKZHWIINIEBPU-UHFFFAOYSA-N 350.400 0.383 0 40 FCAB Cc1noc(C)c1CC(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238935210 VLHFZIKYSLJVOW-UHFFFAOYSA-N 367.431 0.480 0 40 FCAB CN(C)Cc1cncc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 257207335 BHHBTHFDWOOZAB-CQSZACIVSA-N 350.448 0.798 0 40 FCAB Cc1cn([C@H]2CCN(C(=O)C3CCOCC3)C[C@]2(C)O)c(O)nc1=O 257289160 PXGOVERJBPTBMR-GUYCJALGSA-N 351.403 0.208 0 40 FCAB Cn1cnc(S(=O)(=O)N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)c1 306127932 GLAHQWJCJDCGOQ-GFCCVEGCSA-N 365.415 0.211 0 40 FCAB CN(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc3c(c2)OCO3)CC1 575616463 QHEWAYDMEKDVMD-UHFFFAOYSA-N 369.443 0.664 0 40 FCAB O=C(O)[C@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CCO1 580996338 DDZNERCKXZPNTA-LLVKDONJSA-N 351.327 0.805 0 40 FCAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)C1 582943473 RCFMBFQJBFIKAX-OOCWMUITSA-N 370.393 0.869 0 40 FCAB C[C@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)Cc1ccn(C)n1)CC2 585113565 VTPASPBLWXGIDI-CQSZACIVSA-N 360.458 0.981 0 40 FCAB O=C(Cc1ccc(-n2cnnc2)cc1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644069286 PFBSOBONMBTVAS-KURKYZTESA-N 355.442 0.914 0 40 FCAB O=C(CN1CCCC[C@@H](O)C1=O)NCc1ccc(Cn2cccn2)cc1 644295156 UCGXFNLXNFMYOD-QGZVFWFLSA-N 356.426 0.921 0 40 FCAB Cn1ccnc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cnc3ccccc32)[C@H]1O 952845044 ZWYPEUPFEUDGDJ-FXXCCUJSSA-N 355.398 0.585 0 40 FCAB biogenic,in-vitro Cc1nc(C(=O)N2C[C@H]3ON=C(C(=O)NCc4cccnc4)[C@H]3C2)cs1 1565551755 KENXFHDHKCRPEV-GXTWGEPZSA-N 371.422 0.990 0 40 FCAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)Cc2ccccn2)CC1 2055773012 JPWIKBMFAIVEEC-UHFFFAOYSA-N 371.441 0.601 0 40 FCAB COc1ccc(-n2nnnc2S(=O)(=O)CC(=O)N2CCCCC2)cc1 1075727 PHXZKHFAYUVEHK-UHFFFAOYSA-N 365.415 0.457 0 40 FCAB Cc1c(NC(=O)CCC(=O)N(C)CCO)c(=O)n(-c2ccccc2)n1C 2187381 ULOPXLPIMPNAAN-UHFFFAOYSA-N 360.414 0.654 0 40 FCAB O=C(COC(=O)c1c[nH]c(=O)[nH]c1=O)Nc1ccccc1Br 2638176 CEHDVRLOYYUQEZ-UHFFFAOYSA-N 368.143 0.621 0 40 FCAB O=C(CSc1nnc2[nH]c3ccccc3n12)N[C@@H]1CCS(=O)(=O)C1 6508824 XDQFUWKXVCDRSV-SECBINFHSA-N 365.440 0.606 0 40 FCAB CC(C)[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NC(N)=O 7134519 PGIKQQJOZLJNQS-NSHDSACASA-N 360.461 0.644 0 40 FCAB CCCn1c(N)c(C(=O)CN(C)Cc2ccc3c(c2)OCO3)c(=O)[nH]c1=O 7641086 NGCPJTODZMRUKR-UHFFFAOYSA-N 374.397 0.572 0 40 FCAB CCOC(=O)[C@H]1CCCN(c2c(CC)cnc3c2c(=O)n(C)c(=O)n3C)C1 12226911 AJKWSWVFTGXVBD-ZDUSSCGKSA-N 374.441 0.974 0 40 FCAB O=CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 19868971 CJWXCUVQISJMOW-ZDUSSCGKSA-N 371.484 0.449 0 40 FCAB CCN1CCN(c2nc3ncn(CC(=O)NC(C)C)c(=O)c3s2)CC1 21886480 ZGZAATMRRNMIGA-UHFFFAOYSA-N 364.475 0.520 0 40 FCAB Cc1cc(F)ccc1S(=O)(=O)N1CCCN(CC(=O)N(C)C)CC1 24688823 IRTSKUQJLVXMKW-UHFFFAOYSA-N 357.451 0.919 0 40 FCAB CCCn1c(N2CCN(C(=S)NC)CC2)nc2c(C)nn(C)c2c1=O 28559201 IJKNEXAILAVLFA-UHFFFAOYSA-N 363.491 0.475 0 40 FCAB NS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 32934152 PNHHUPAHSMQFPX-UHFFFAOYSA-N 353.448 0.536 0 40 FCAB C[C@@H](C(=O)N1CCc2ccccc21)S(=O)(=O)Cc1nnnn1C1CC1 40106217 ZAXDWYJHRXSZJX-NSHDSACASA-N 361.427 0.901 0 40 FCAB COc1cc(NC(=O)C[C@@H]2Cn3ncnc3NC2=O)cc(OC)c1OC 40386596 UPACYFHKTGNJAW-SECBINFHSA-N 361.358 0.901 0 40 FCAB COC(=O)CNC(=O)CCNC(=O)c1cc(F)ccc1Br 48323765 IONWSVYOMDGEHD-UHFFFAOYSA-N 361.167 0.997 0 40 FCAB COC(=O)[C@H](CCSC)NC(=O)Cn1nc(-c2ccco2)ccc1=O 61720107 QTNWQTGKAYTUED-LBPRGKRZSA-N 365.411 0.914 0 40 FCAB Cn1cc(CNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cn1 95452308 OEIMGEXKNALJGB-UHFFFAOYSA-N 358.807 0.416 0 40 FCAB Cn1cc(N2CCC[C@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cn1 96000351 JVIROOPNXTWIPP-HNNXBMFYSA-N 367.475 0.025 0 40 FCAB COc1cccc(S(=O)(=O)N2C[C@@H]3CN(C(C)=O)CCO[C@@H]3C2)c1 96110915 LRDGMOXJDSHXOT-XJKSGUPXSA-N 354.428 0.563 0 40 FCAB CCn1nc(C)c2nc(C)nc(N3CCN(S(=O)(=O)CC)CC3)c21 96193135 VTSBWBCTEFVNES-UHFFFAOYSA-N 352.464 0.935 0 40 FCAB CC(C)NC(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(c3ncc(F)cn3)C[C@H]12 96250945 WPQSLDSCTMOMKP-YNEHKIRRSA-N 356.423 0.380 0 40 FCAB CC1=NNC(=O)[C@@H]1CCC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2 100786835 IOKJGFSPECOPRH-CYBMUJFWSA-N 364.427 0.849 0 40 FCAB Cc1noc(-c2ccn3c(CNC(=O)c4ccc(=O)n(C)n4)nnc3c2)n1 225744123 IORCLEMOIJZOTC-UHFFFAOYSA-N 366.341 0.111 0 40 FCAB CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cccc2c1OCCO2 268415067 VGLCDJAFZHGHEL-WCQYABFASA-N 354.428 0.906 0 40 FCAB CC(=O)OCC(=O)N1C[C@]2(F)CN(CC3CCOCC3)C(=O)[C@]2(F)C1 306127169 FQLIBNZWICBPRI-HZPDHXFCSA-N 360.357 0.077 0 40 FCAB Cn1cc(CN2CC3(C2)[C@@H](COc2ncccn2)CCS3(=O)=O)cn1 306145051 ZWDCCFSBDHBEND-CQSZACIVSA-N 363.443 0.278 0 40 FCAB COc1ccc(CC(=O)N2CCO[C@@H](CN(CC(=O)O)C(C)=O)C2)cc1 681942420 AEAZYNOQJXAUBZ-MRXNPFEDSA-N 364.398 0.398 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)CCO1 681942801 QHLYQEBCJIHZMM-CABCVRRESA-N 356.419 0.496 0 40 FCAB Cn1cnc2c1CCN(C(=O)Cc1ccc(F)cn1)[C@H]2CN1CCOCC1 1565542698 JKLCTSNLJYVQJT-KRWDZBQOSA-N 373.432 0.955 0 40 FCAB CNC(=O)c1nn[nH]c1NC(=O)N[C@H](c1ccccc1)c1cnn(C)c1 1674187614 MJUODKMUCYTKJR-GFCCVEGCSA-N 354.374 0.809 0 40 FCAB CC(=O)N1CCC(N2CCO[C@]3(COCC(=O)N(C(C)C)C3)C2)CC1 2037985836 XXAIQLMRDXIMIW-GOSISDBHSA-N 353.463 0.336 0 40 FCAB CN(C)C(=O)N1CCN(C(=O)CCc2ccc[nH]2)C[C@@]2(CNC(=O)C2)C1 2055795915 UBOWOTIOGJNFFV-GOSISDBHSA-N 361.446 0.279 0 40 FCAB Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1C 6637076 NQBQDYZQTIIYAI-UHFFFAOYSA-N 363.805 0.925 0 40 FCAB COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCC(N)=O 8971923 RLSOOHMIEVDRGX-JTQLQIEISA-N 358.354 0.425 0 40 FCAB COc1ccc(CNC(=O)CN2C(=O)N[C@@H](CCSC)C2=O)cc1 9483797 CEWHHMPYDJBZIT-ZDUSSCGKSA-N 351.428 0.985 0 40 FCAB C[C@H]1Oc2ccc(S(=O)(=O)NCCOC[C@@H]3CCCO3)cc2NC1=O 12187815 GLBJSNYYRWUMTD-NEPJUHHUSA-N 370.427 0.880 0 40 FCAB O=C(CN1CCN(C(=O)c2ccc[nH]c2=O)CC1)Nc1cccc(F)c1 12905766 HMPZGKIOJLFTFH-UHFFFAOYSA-N 358.373 0.911 0 40 FCAB NC(=O)C1CCN(C(=O)Cn2cnc(-c3ccc(F)cc3)cc2=O)CC1 13808292 LYKAWRLKSFTWPR-UHFFFAOYSA-N 358.373 0.773 0 40 FCAB CN1CCN(C(=O)[C@H]2CCCN(c3nc(Cl)nc4nc[nH]c34)C2)CC1 20650571 FFGQBFUUPDRQIX-NSHDSACASA-N 363.853 0.997 0 40 FCAB O=C(CN1C(=O)CCC1=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 38670652 QCZZUOUPFIGNOK-UHFFFAOYSA-N 355.398 0.356 0 40 FCAB COCCN1C[C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCN2C1=O 77266986 REUPOWGPPJRQPU-OAHLLOKOSA-N 367.471 0.658 0 40 FCAB biogenic,in-vitro Cc1nnc(N2CCOC[C@@]3(CCCN(S(=O)(=O)C4CC4)C3)C2)o1 96049708 FLXNRHRHZULBCP-HNNXBMFYSA-N 356.448 0.789 0 40 FCAB COCCNC(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 96222172 ZABOBJOPKZVRHG-LBPRGKRZSA-N 365.386 0.277 0 40 FCAB biogenic CC(C)CN1CC2(C1)C(=O)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H](O)CN12 225386240 BQMRBSJVJQUMQV-SJORKVTESA-N 357.454 0.701 0 40 FCAB biogenic,in-vitro COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NCc1cc(C)n(C)n1 227151067 KYRBVGFJJSFDRG-UHFFFAOYSA-N 366.443 0.917 0 40 FCAB CCS(=O)(=O)NC[C@H]1CCC2(CN(c3cc(OC)ncn3)C2)OC1 247888046 LNAFWSNYKVFWSL-GFCCVEGCSA-N 356.448 0.410 0 40 FCAB CC(=O)N1CCN(C(=O)CCN(C)c2cccc(C)c2)C[C@@H]1C(=O)N(C)C 257236587 HCWPASVTOYGWSV-GOSISDBHSA-N 374.485 0.969 0 40 FCAB CN(C)Cc1cnc([C@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)[nH]1 257255225 KGQDWLDMBQQTOW-OAHLLOKOSA-N 355.402 0.956 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCc2cn(-c3cccs3)nn2)CC1 575615001 BFPWQBQWHACYFG-UHFFFAOYSA-N 369.472 0.617 0 40 FCAB Cc1ccc(S(=O)(=O)N=S2(=O)CCN(S(C)(=O)=O)CC2)cc1 585084131 BZLUEMZTJHVKLH-UHFFFAOYSA-N 366.486 0.427 0 40 FCAB COC[C@]1(C(N)=O)CCCN1S(=O)(=O)c1cc(C)c(OC)c(C)c1 643703511 VMLMVLWKDGBJFE-INIZCTEOSA-N 356.444 0.967 0 40 FCAB CN(C)CCN1C(=O)CCC12CCN(C(=O)CCc1cncnc1)CC2 1565549063 OOTMRXXLNSXXHK-UHFFFAOYSA-N 359.474 0.954 0 40 FCAB O=C(CN1CCN(c2cccc3nc(O)[nH]c23)CC1)Nc1cnccn1 1620605492 PCAHLLXGWRVVJZ-UHFFFAOYSA-N 353.386 0.819 0 40 FCAB O=C1NC(=O)[C@@]2(CCCN(C(=O)Nc3ccc4c(c3)C(=O)NCC4)C2)N1 1668040066 GCYAPLDPJKQJQG-KRWDZBQOSA-N 357.370 0.178 0 40 FCAB CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(C)C)CC3)C1=O 2055794315 HDIGPCWWLXAYQG-KRWDZBQOSA-N 357.520 0.991 0 40 FCAB COCC(=O)N1CCC[C@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 2055835251 ZYZJXWNRVSMRRA-SFHVURJKSA-N 360.414 0.824 0 40 FCAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)O)ccc12 1891589 YDFZBUVZZZFHOD-JTQLQIEISA-N 362.338 0.186 0 40 FCAB biogenic CCn1ncc(C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(C)CS[C@@H]23)c1C 2747769 FIUJGVUMNGDCKC-HZMBPMFUSA-N 350.400 0.584 0 40 FCAB biogenic,in-vitro CCN1C(=O)[C@H](NC(=O)C(=O)NCCN2CCCCC2)c2ccccc21 9418824 CVFSAANNHWHTBF-MRXNPFEDSA-N 358.442 0.813 0 40 FCAB Cc1noc(C)c1CCC(=O)NCCn1nnn(-c2ccccc2)c1=O 12145990 LPVSQBXXXUXZHU-UHFFFAOYSA-N 356.386 0.783 0 40 FCAB Nc1c(C(=O)CN2CCN(c3ccccc3)CC2)c(=O)[nH]c(=O)n1C1CC1 14094190 XXHKWIPCJFXFHL-UHFFFAOYSA-N 369.425 0.459 0 40 FCAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2)NC(=O)N1CC(=O)O 14246070 XSXULEAGJURECL-MRXNPFEDSA-N 359.382 0.970 0 40 FCAB CCOCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 19796952 ZNOOVVCNUZWOBA-GJZGRUSLSA-N 361.485 0.642 0 40 FCAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 20048456 UVBWLELPAOAIEH-GFCCVEGCSA-N 369.443 0.930 0 40 FCAB O=C(CN1CCN(CC(=O)N2CCc3ccccc3C2)CC1)NC1CC1 22787223 FUYUAJSWVSRTJN-UHFFFAOYSA-N 356.470 0.468 0 40 FCAB NS(=O)(=O)c1ccc(CCNCc2nc3ccsc3c(=O)[nH]2)cc1 23732921 BHCXYHHXHGBEGI-UHFFFAOYSA-N 364.452 0.964 0 40 FCAB O=C(Cc1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 32853746 DEDOYRJRYRAALA-CQSZACIVSA-N 368.430 0.474 0 40 FCAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)Cn2cnc(C)cc2=O)cc1 36703789 RGXKTIJBHQBCCS-UHFFFAOYSA-N 371.397 0.056 0 40 FCAB CC(C)CN1CCO[C@H](CNC(=O)N2CCN(c3ncccn3)CC2)C1 43821951 DJFCURLQLDTQQA-MRXNPFEDSA-N 362.478 0.665 0 40 FCAB Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)NCc1ccccn1 56999896 MBMXDIILOULQPJ-UHFFFAOYSA-N 356.430 0.291 0 40 FCAB CNC(=O)NC(=O)CCN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 58226802 BZGUYHFHNDYCEA-GOSISDBHSA-N 358.398 0.788 0 40 FCAB C1CCNCCCNCCCNCCCCNCCCNCCCNC1 68604683 HNFYUOBSGIKFQA-UHFFFAOYSA-N 370.630 0.658 0 40 FCAB biogenic COCC[C@H](NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)C(N)=O 95463337 BFZILLJSKCLUJH-ZDUSSCGKSA-N 364.377 0.311 0 40 FCAB O=C(NCCN1C(=O)CCC1=O)N1CCN(C(=O)c2ccsc2)CC1 95959517 FOIIEWHRFNDRHV-UHFFFAOYSA-N 364.427 0.365 0 40 FCAB O=C([C@@H]1CN(C(=O)N2CCCC2)CC12CCOCC2)N1CCOCC1 96052242 ZGFYJEKHZNGSCH-HNNXBMFYSA-N 351.447 0.790 0 40 FCAB CS(=O)(=O)CC(=O)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96208552 QWTNPEDRPMVPKL-ZBFHGGJFSA-N 354.428 0.655 0 40 FCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCCn2ccnc2)cc1 225084299 DSBGFIRTHJRKAV-UHFFFAOYSA-N 362.411 0.905 0 40 FCAB COc1ccccc1OCc1cn(CC(=O)NCc2ccn(C)n2)nn1 227161152 UMYRMYPYNDHIBL-UHFFFAOYSA-N 356.386 0.916 0 40 FCAB Cc1noc(CC(=O)N2CCC3(CC2)OCC(=O)N(CC2CC2)[C@@H]3C)n1 585113536 CWUWILVERHCSSJ-GFCCVEGCSA-N 362.430 0.939 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)CCO1 681943321 LGXVKSBXZKCXFB-AWEZNQCLSA-N 374.397 0.266 0 40 FCAB CCc1cnc(N2CCO[C@@H]3CN(C(=O)c4ncn(C)n4)CC[C@@H]3C2)nc1 1565554304 OEEMXUBWNOHHNC-HUUCEWRRSA-N 371.445 0.535 0 40 FCAB CC(=O)N1CCN2CC(=O)Nc3cc(-c4ncnn4C)ccc3OC[C@H]2C1 1772594823 YYKUDWQHPXLAKU-CQSZACIVSA-N 370.413 0.346 0 40 FCAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ncnn3C)CC2)n1 2086884317 AXEDYSJFQIPIBJ-UHFFFAOYSA-N 358.450 0.072 0 40 FCAB CC1(C(=O)N2CC3(C2)CS(=O)(=O)[C@@H](Cn2cc(F)cn2)CO3)CC1 2332243094 ITFBORYLOJXLTK-LBPRGKRZSA-N 357.407 0.217 0 40 FCAB CCn1c(=O)c2c(nc(SCC(=O)N3CCCC3)n2C)n(C)c1=O 887185 AHCPGSJGXPHFEM-UHFFFAOYSA-N 351.432 0.168 0 40 FCAB CC(C)[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 4029402 OLTJNTLCZYWHKR-OAHLLOKOSA-N 365.386 0.254 0 40 FCAB CCN(C(=O)Cn1cnc2sccc2c1=O)[C@H]1CCS(=O)(=O)C1 5610113 VYMHOOICDNHNSA-JTQLQIEISA-N 355.441 0.494 0 40 FCAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCCN1c1ccccc1 8462770 FRMCMQMEQOUIDT-UHFFFAOYSA-N 355.354 0.523 0 40 FCAB biogenic CC(=O)Nc1ccc(N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 8727716 KSAHGCPYPWXEIQ-SECBINFHSA-N 359.386 0.308 0 40 FCAB COc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 8769442 LRQHEGXLGDTCPM-UHFFFAOYSA-N 367.427 0.709 0 40 FCAB CN(C)c1nc(N)nc(COC(=O)CCS(=O)(=O)c2ccccc2)n1 11258173 RKMRREVUFMGQDQ-UHFFFAOYSA-N 365.415 0.427 0 40 FCAB Nc1nc(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)n[nH]1 12691942 OKCVRBJRIBKFGQ-LLVKDONJSA-N 367.456 0.699 0 40 FCAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN(C)CC(=O)NC2CC2)n1 12886041 LLCYVEHXSLLWLY-UHFFFAOYSA-N 371.445 0.736 0 40 FCAB O=C(CN1CCOCC1)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 19374832 CRJBWJXEWDUNEL-UHFFFAOYSA-N 373.453 0.939 0 40 FCAB Cc1cnc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cn1 23040892 SOMNNXSOHMAFEN-UHFFFAOYSA-N 365.415 0.537 0 40 FCAB COCC(=O)Nc1c2c(nn1CC(=O)NC[C@@H]1CCCO1)CSC2 23139054 QQMAPBVUYKPGOD-JTQLQIEISA-N 354.432 0.510 0 40 FCAB CC(=O)N1CCN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)CC1 32070031 AIMSTNIDISMTAF-UHFFFAOYSA-N 357.418 0.031 0 40 FCAB O=C(Cn1ccccc1=O)NCCNS(=O)(=O)c1cccc(Cl)c1 40070322 KHJKQBZUEZGOQI-UHFFFAOYSA-N 369.830 0.596 0 40 FCAB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 44840307 JVXCLSSJRVIGQG-CYBMUJFWSA-N 369.443 0.930 0 40 FCAB CCn1c(=O)n(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 48248010 DSBZNLLOGJVZKR-GFCCVEGCSA-N 351.428 0.516 0 40 FCAB CC(C)(C)NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 56997861 NYGNASWCDRNXOV-UHFFFAOYSA-N 350.438 0.979 0 40 FCAB COc1ccccc1-n1c(O)nc2nc(N3CCOCC3)ncc2c1=O 67264313 ASXOMALMCWHOKC-UHFFFAOYSA-N 355.354 0.727 0 40 FCAB CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)CC1 89943545 KHFCNMBRHAHMII-CYBMUJFWSA-N 373.450 0.861 0 40 FCAB CO[C@@H]1[C@H](C)[C@@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1(C)C 95986827 WHIFJJXPIAXTAG-OASPWFOLSA-N 362.473 0.672 0 40 FCAB CCN1C[C@@]2(CC1=O)CN(C(=O)c1cnccn1)CCN(C(=O)N(C)C)C2 96036230 QGZPNNSAWVWHCS-SFHVURJKSA-N 374.445 0.155 0 40 FCAB CCS(=O)(=O)N1CC[C@H]2C(=O)N(Cc3cccnc3)CCO[C@H]2C1 96107102 LWLAGAUEKIVUAH-CABCVRRESA-N 353.444 0.481 0 40 FCAB CCOCC(=O)N1CCC2(CC1)O[C@@H](C(=O)NC(C)C)Cn1ccnc12 96243675 YYZWWFPOAJKITG-CQSZACIVSA-N 364.446 0.661 0 40 FCAB Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)N1CCCC1=O 97664329 DYMZAUVVNAAKDI-GXDHUFHOSA-N 355.354 0.672 0 40 FCAB O=C(CN1C(=O)CCC1=O)NC[C@@H](c1ccco1)N1CCSCC1 244975242 IHPNVUBYQJWBST-LBPRGKRZSA-N 351.428 0.635 0 40 FCAB Cc1cc(C)n(CC(=O)N2CCN(Cc3ccccc3)[C@H](C(N)=O)C2)n1 257239073 HNVVVSVENWPYJK-KRWDZBQOSA-N 355.442 0.698 0 40 FCAB CC(C)N(C)CC(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C 1565553457 ADUQATYNWOYADN-IBGZPJMESA-N 359.474 0.671 0 40 FCAB COCCNC(=O)c1cnc2n1[C@H](CNC(=O)CC1(OC)CCC1)CC2 1614937739 JGMHEZXHTOMEFL-ZDUSSCGKSA-N 364.446 0.822 0 40 FCAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1 2055704323 KLPDQEUPFGUWEJ-AWEZNQCLSA-N 365.397 0.590 0 40 FCAB CN(C)C(=O)CN1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055746165 UDKJQIWUPWIDJR-UHFFFAOYSA-N 351.476 0.756 0 40 FCAB COCCNC(=O)[C@@]12C[C@@H]1CCN2S(=O)(=O)c1ccc2c(c1)CCO2 2056224931 HHSGOSWTFCEIDB-SUMWQHHRSA-N 366.439 0.537 0 40 FCAB CCN(C)C[C@H]1COC2(CN(C(=O)c3cccc(F)c3)C2)CS1(=O)=O 2332243166 ODAIOBLKOORALM-HNNXBMFYSA-N 370.446 0.786 0 40 FCAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)NC1CC1 5689171 RRRCSJMAKYVPEL-LLVKDONJSA-N 371.484 0.862 0 40 FCAB Cn1c(=O)c2[nH]c(SCC(=O)Nc3cccc(F)c3)nc2n(C)c1=O 6447464 BXKMXLZZDHKZQL-UHFFFAOYSA-N 363.374 0.830 0 40 FCAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1C 9094921 YLQBGXWPYVEEDH-ZDUSSCGKSA-N 356.444 0.919 0 40 FCAB CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc(C)c1C 14094624 PPRBXGZRIXKVQJ-LBPRGKRZSA-N 360.457 0.128 0 40 FCAB COCCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2F)C1=O 14139323 PUWFCODMLWYVCC-UHFFFAOYSA-N 357.725 0.855 0 40 FCAB O=C(COc1ccccc1)NCC(=O)N1CCN(c2ncccn2)CC1 15701200 PFLZDBICWYHXTF-UHFFFAOYSA-N 355.398 0.320 0 40 FCAB COCC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 20724583 AZOKFVCQCMVLEX-NSHDSACASA-N 353.806 0.572 0 40 FCAB O=C1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccccc3)cc2)CCN1 24481277 CQZTWZHZYBHMGE-UHFFFAOYSA-N 373.434 0.737 0 40 FCAB COc1ccc(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(OC)c1OC 39996822 RGZSHBZNFZPXHZ-GFCCVEGCSA-N 357.428 0.900 0 40 FCAB COc1ccccc1OCCN1CN=C(NS(=O)(=O)C(C)C)NC1 40387376 XYUSJNZUDCMXEJ-UHFFFAOYSA-N 356.448 0.578 0 40 FCAB CCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 51136936 NKDFRAIQKSIDJJ-UHFFFAOYSA-N 369.443 0.839 0 40 FCAB COC(=O)CCNC(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 58291649 DKILCOZWYIECCI-GJZGRUSLSA-N 371.393 0.940 0 40 FCAB CS(=O)(=O)CCN1CCN(C[C@@H](O)COCc2ccccc2F)CC1 89484297 LIDNZHMMEHZYAO-MRXNPFEDSA-N 374.478 0.365 0 40 FCAB COc1cc([C@@H](C)O)cc(OC)c1OCC(=O)N1CCC[C@H](C(N)=O)C1 89904547 YKUCSPZUETUVAZ-NEPJUHHUSA-N 366.414 0.860 0 40 FCAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCn3c(n[nH]c3=O)C2)c1 95941965 MYCCWWVXFUYWQU-UHFFFAOYSA-N 372.790 0.216 0 40 FCAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCOCC1)C2 96056993 NAOWZJVYBQGJMW-APWZRJJASA-N 368.474 0.916 0 40 FCAB Cc1cc(N2CCN(C(=O)[C@H](N)c3ccccc3)CC2)n2ncnc2n1 97019879 YVOGICBQSJTIGM-MRXNPFEDSA-N 351.414 0.781 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)C(=O)[C@H]2C(=O)Nc3ccccc32)cc1 102232499 RHGFQFAEBFSWOH-ZDUSSCGKSA-N 359.363 0.578 0 40 FCAB COCCOC[C@@]1(CNC(=O)c2cccc(OC)c2)C[C@H](O)[C@H](O)C1 107283956 ZBHJHCPGJSPJTR-ALXJQNPVSA-N 353.415 0.590 0 40 FCAB biogenic,in-vitro CCN1C(=O)COc2ccc(S(=O)(=O)NCCC(=O)NC(C)C)cc21 227162207 YZFXQBHPMVNRLU-UHFFFAOYSA-N 369.443 0.625 0 40 FCAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@H]2CCn3nccc3C2)cc1 244947575 DMWDCSBTHZDVMF-LBPRGKRZSA-N 374.422 0.830 0 40 FCAB CS(=O)(=O)NC[C@H]1CN(C(=O)COC2CCCC2)Cc2ccnn2C1 247517329 KGKQTECXBAPGRC-ZDUSSCGKSA-N 370.475 0.350 0 40 FCAB CCc1cc(CNC(=O)[C@H]2CN(C(=O)c3c[nH]nc3C)CCN2C)on1 257313759 UTZUPAMPLBFNTN-OAHLLOKOSA-N 360.418 0.341 0 40 FCAB Cc1ccc(C(c2c(O)nc(=N)[nH]c2O)c2c(O)nc(=N)[nH]c2O)cc1 408919954 FTHPSRTYVCWDAJ-UHFFFAOYSA-N 356.342 0.403 0 40 FCAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCc1ccc(C(N)=O)o1)CC2 547859192 QKSHAMCLJKYVRZ-ZIAGYGMSSA-N 351.403 0.840 0 40 FCAB O=C1CC[C@@H](NC(=O)c2cccc3c2OCCO3)[C@H](C2CCNCC2)N1 568741917 SMHOSVMEJCHPPG-PBHICJAKSA-N 359.426 0.834 0 40 FCAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(CCC(=O)O)C[C@H]1CCCO1 583650642 XTCZTYUQHGYJCP-GFCCVEGCSA-N 362.386 0.356 0 40 FCAB CC(=O)Nc1nc([C@@H]2CCCN2CC(=O)Nc2nonc2C)cs1 585273619 XEZHSGOLZVHDNM-NSHDSACASA-N 350.404 1.569 0 40 FCAB O=C1[C@H]2Nc3nc(N4CCOCC4)nc(O)c3[C@@H]2C(=O)N1c1ccccc1 618257280 UAPKHHLJBGOBQQ-AAEUAGOBSA-N 367.365 0.470 0 40 FCAB Cc1ncnc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCN(C)CC3)C2)c1C 1565550120 QEUKNMGYRGULDB-BZUAXINKSA-N 373.457 0.097 0 40 FCAB O=C(C[C@]12COC[C@H]1CN(C(=O)CC1(O)CCC1)C2)NCc1ccccn1 1565555033 OLXHPINVYULOBY-BEFAXECRSA-N 373.453 0.868 0 40 FCAB CCOc1ccc(N2C(=O)C[C@]3(CC(C(=O)OC)=NN3C(C)=O)C2=O)cc1 5022340 PBPVXJONBCJANI-GOSISDBHSA-N 373.365 0.869 0 40 FCAB O=C1COc2ccc(S(=O)(=O)NCCOC[C@@H]3CCCO3)cc2N1 12188020 YYTMJXUNXVHTNQ-NSHDSACASA-N 356.400 0.491 0 40 FCAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)Cn1cnnn1)c1ccccc1O2 12326318 ANLNBHYSKHDXPW-KDOFPFPSSA-N 370.413 0.694 0 40 FCAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCCN(C)C)[C@@H]4C2=O)no1 13623915 DQFOMWAVBNZPNL-MJXUCMMTSA-N 360.414 0.337 0 40 FCAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC[C@@H](C(=O)O)NC2=O)cc1 13636848 UCYMAOWEWYCWLJ-RYUDHWBXSA-N 366.395 0.877 0 40 FCAB OC1[C@@H](OCc2ccccc2)[C@@H](O)C(O)[C@@H](O)[C@@H]1OCc1ccccc1 17994256 AWRJNSJYOXKKTK-XWIPKYTLSA-N 360.406 0.614 0 40 FCAB CCN(c1cc(OC)c(OC)cc1C(=O)NCCOC)S(C)(=O)=O 22251779 SWFRAAKTZUJTEX-UHFFFAOYSA-N 360.432 0.866 0 40 FCAB CN1C(=O)COc2ccc(NC(=O)C(=O)NC[C@H](O)c3ccccc3)cc21 40266673 ATYKHVOKLDQTGO-HNNXBMFYSA-N 369.377 0.830 0 40 FCAB O=C(CCNC(=O)c1cnccn1)Nc1ccc(Cn2cncn2)cc1 72403152 OLORJIMVRBFNJC-UHFFFAOYSA-N 351.370 0.875 0 40 FCAB Cc1ccccc1-n1nc(C(=O)N2C[C@@H](O)C[C@@H]2C(N)=O)c2c1CCC2 89700326 CPNGESOOSAYPTI-BLLLJJGKSA-N 354.410 0.730 0 40 FCAB Cc1ccc(-n2nccc2NC(=O)C(=O)NCCN2CCCC[C@@H]2C)nn1 95461292 ZUWCTLSKORKXDK-AWEZNQCLSA-N 371.445 0.900 0 40 FCAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)Cc1ccccn1)C2 96050377 MDFPKBPAWNOANO-IBGZPJMESA-N 368.441 0.307 0 40 FCAB CN1CCN(Cc2cccnc2)[C@]2(CCN(C(=O)c3ccc[nH]3)C2)C1=O 96076949 ANVNSQXLVZOXHR-IBGZPJMESA-N 353.426 0.969 0 40 FCAB CC1=NN(c2cccc(Cl)c2)C(=O)[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 101901902 GADXBLNSNVIWEB-WCQYABFASA-N 369.830 0.982 0 40 FCAB O=C(NCC(=O)N1CCc2ccccc21)N1CCN(c2cnccn2)CC1 171123030 OLNXRMPFRUTSLV-UHFFFAOYSA-N 366.425 0.898 0 40 FCAB CS(=O)(=O)NC[C@@H]1CN(C(=O)COC2CCCC2)Cc2cncn21 247518389 KPPMYMHGYNGKMQ-CYBMUJFWSA-N 356.448 0.275 0 40 FCAB Cc1nnc(N2CC3(C2)OCC[C@H]3CCNS(=O)(=O)C2CC2)s1 248004829 HAMCPJXKDOBUER-LLVKDONJSA-N 358.489 0.914 0 40 FCAB Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257227499 FPORODHXDCBQCV-IRXDYDNUSA-N 350.463 0.264 0 40 FCAB CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc(S(N)(=O)=O)nc1 271038375 QMJGMPYXKUBWQF-UHFFFAOYSA-N 370.475 0.159 0 40 FCAB CCN(CC)C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2cncn21 306125946 DGQJKNVNCFIHMR-CQSZACIVSA-N 352.464 0.704 0 40 FCAB O=C(O)C1CCN(S(=O)(=O)NCCOc2ccc(F)cc2F)CC1 563070962 PFICCWYXBXJTGE-UHFFFAOYSA-N 364.370 0.975 0 40 FCAB COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)Cc2ccccc21 600883258 HRUWSJORMVEFHG-OCCSQVGLSA-N 352.412 0.656 0 40 FCAB COc1ccccc1CN(C)C(=O)CN1C[C@@H](OC)[C@H](c2cnn[nH]2)C1 621321088 PLOOIJDRZFHKSW-WMLDXEAASA-N 359.430 0.886 0 40 FCAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(-c2ncn(C)n2)cc1 643948729 YCLVVXLQEQFCMY-GOSISDBHSA-N 357.414 0.849 0 40 FCAB COCC(=O)NC[C@]1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1 1848356259 MOFODRLJOMLWPZ-GOSISDBHSA-N 361.398 0.134 0 40 FCAB CCn1cnc2c(N3CCN(c4ncnc5[nH]cnc45)CC3)ncnc21 1888926504 XTDBFMHXDPPNEA-UHFFFAOYSA-N 350.390 0.839 0 40 FCAB c1cc(N2CCN(c3ccn4nccc4n3)CC2)nc(N2CCOCC2)n1 1889149191 ZZXLURVEIFOSJX-UHFFFAOYSA-N 366.429 0.683 0 40 FCAB CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 944702 SMZNPFQHZDKWHY-UHFFFAOYSA-N 353.356 0.349 0 40 FCAB O=C1CN(C(=O)CSc2nnnn2C[C@H]2CCCO2)c2ccccc2N1 9546799 BNHIOCNXJFMUOJ-LLVKDONJSA-N 374.426 0.930 0 40 FCAB CC(C)(C)NC(=O)CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 9918303 PQTJNQZRPXQYJY-UHFFFAOYSA-N 372.425 0.967 0 40 FCAB Cn1ncc2c(=O)n(CC(=O)NCCCc3nc4ccccc4[nH]3)cnc21 11486574 HNYQRADIFYDLHY-UHFFFAOYSA-N 365.397 0.755 0 40 FCAB Cn1c(NCCCO)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 13512288 CFYUJZDMXPNTKP-UHFFFAOYSA-N 361.377 0.415 0 40 FCAB CCn1c(=O)n(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 14145597 BJOWERZHTWZBNF-GFCCVEGCSA-N 351.428 0.468 0 40 FCAB CS(=O)(=O)N1CCN(C(=O)Cc2cnc(-n3cccc3)s2)CC1 20745161 FMRONUHBLOEGSV-UHFFFAOYSA-N 354.457 0.580 0 40 FCAB C[C@]1(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)CCS(=O)(=O)C1 25672222 LCHRSHAURSCUAR-AWEZNQCLSA-N 357.409 0.649 0 40 FCAB CC1CCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 30873066 UPCYBSKDEVOVIU-INIZCTEOSA-N 374.551 0.743 0 40 FCAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1cccnc1-n1cccn1 31227587 LELSKSGXAOAMIT-UHFFFAOYSA-N 354.370 0.201 0 40 FCAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)OC)c1 40040330 XVZPDYGXMOXWCV-GFCCVEGCSA-N 361.441 0.671 0 40 FCAB CC(=O)N1CCN(c2ncc(S(=O)(=O)c3ccccc3)c(N)n2)CC1 71771846 RGWNUYXNNMUFFI-UHFFFAOYSA-N 361.427 0.560 0 40 FCAB CN(C)C(=O)[C@]12CCCN(S(C)(=O)=O)C[C@H]1CN(c1ncccn1)C2 96056116 CEGBKNYIPCDXDB-CJNGLKHVSA-N 367.475 0.043 0 40 FCAB Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(CC4CC4)C3)C2=O)o1 225398644 LKAMGARJRMFKDD-ZBFHGGJFSA-N 359.426 0.356 0 40 FCAB biogenic,in-vitro O=C(CCCCCO)NCCC[C@@H](NC(=O)CCCCCO)C(=O)O 247385498 KCOVSUWXBALFEH-CQSZACIVSA-N 360.451 0.558 0 40 FCAB Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CNS(C)(=O)=O)C2)on1 253600210 JRKOONACQXOABA-LLVKDONJSA-N 353.404 0.001 0 40 FCAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2cc(-c3cc[nH]n3)ncn2)C1 257210595 BVIAQTFFWXSKJB-LBPRGKRZSA-N 350.448 0.928 0 40 FCAB CC(=O)N1CCNC[C@H]1C(=O)NCC1(c2ccc(C)cc2)CCOCC1 257307702 SZWLIGKKBSOWCZ-SFHVURJKSA-N 359.470 0.980 0 40 FCAB Cc1nc(C)n(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C(N)=O)C2)n1 257314404 UWUABVZIBFZHNY-MRXNPFEDSA-N 356.430 0.093 0 40 FCAB c1nc(N2CCOCC2)cc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1 265544214 FGRMMYQJSPWORH-UHFFFAOYSA-N 366.429 0.911 0 40 FCAB CN1C[C@@H](C(=O)N(C)Cc2ccccn2)O[C@@]2(CCN(C(=O)C3CC3)C2)C1 306143981 YSOBMBOSQNWYSW-PXNSSMCTSA-N 372.469 0.752 0 40 FCAB CCN(C)C(=O)CN(C[C@H]1CC[C@@H](c2nc(C)no2)O1)S(C)(=O)=O 548663125 ASJQJHIXFFQKFP-NEPJUHHUSA-N 360.436 0.338 0 40 FCAB O=C1CC(c2ccc(NC(=O)[C@@H]3CCc4nnnn4CC3)cc2)CC(=O)N1 573974787 DHNBUYLJVIDNOL-GFCCVEGCSA-N 368.397 0.785 0 40 FCAB Cn1nccc1C(=O)N1C[C@@H]2C[C@@H](CC(=O)NCc3cccnc3)O[C@@H]2C1 585109497 UPJQLKLIOSRHLM-YQQAZPJKSA-N 369.425 0.751 0 40 FCAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)CCS(C)(=O)=O)cn1 1614938620 OENZDXMSOANRJD-JKSUJKDBSA-N 369.487 0.793 0 40 FCAB COCCN1C(=O)CC[C@H]1c1nc(CNC(=O)c2c(C)noc2C)no1 1775964152 UOPZNKPNDWRBRQ-NSHDSACASA-N 363.374 0.914 0 40 FCAB biogenic,in-vitro Cc1ccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(N)=O)cc1 850084 UDDCQELFIQHXGJ-UHFFFAOYSA-N 359.411 0.509 0 40 FCAB biogenic,in-vitro CNC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 5087516 AZZQHNYRCZPLPI-UHFFFAOYSA-N 363.439 0.783 0 40 FCAB COC(=O)c1cn([C@H]2CO[C@@H]3[C@@H](NCCCc4ccccc4)CO[C@H]23)nn1 5398973 GWFHXCHYPNGZAE-WNRNVDISSA-N 372.425 0.994 0 40 FCAB biogenic,in-vitro Cc1nc(NN2CCOCC2)nc(NN2CCOCC2)c1Br 5530978 NSKLHWPTJPQAHN-UHFFFAOYSA-N 373.255 0.866 0 40 FCAB O=C1c2ccccc2S(=O)(=O)N1CCn1nnn(-c2ccccc2)c1=O 11751251 UUEYUGFWTAHVBC-UHFFFAOYSA-N 371.378 0.274 0 40 FCAB O=C(CN1CCOCC1)N1CCC(O)(Cn2ncc3ccccc32)CC1 19376578 BZJSHDMYAKKUDC-UHFFFAOYSA-N 358.442 0.722 0 40 FCAB CC(C)(C)c1n[nH]c(SCC(=O)N2CCN(S(C)(=O)=O)CC2)n1 22748787 MDDAQFXFGSWJKG-UHFFFAOYSA-N 361.493 0.298 0 40 FCAB CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccncc1 36354259 QAHFKVQEVJPNNP-KGLIPLIRSA-N 368.459 0.209 0 40 FCAB C[C@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccn1 43180730 YZTDDBSSEVJPEM-HNNXBMFYSA-N 361.446 0.329 0 40 FCAB Cc1occc1C(=O)N1CCC(NS(=O)(=O)c2cnn(C)c2)CC1 47497792 CWKQJUWYUMSJKZ-UHFFFAOYSA-N 352.416 0.905 0 40 FCAB CN1CCC(N2CCC(NC(=O)NCC(=O)N3CCCCC3)CC2)CC1 51760923 XBCGXBMVAVTOGJ-UHFFFAOYSA-N 365.522 0.857 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NC[C@]2(O)CCc3ccccc32)CC1 75155705 FLSDZAVNJDMEBT-QGZVFWFLSA-N 352.456 0.608 0 40 FCAB COCCCNC(=O)CN1CCN([C@H](C(=O)OC)c2cccnc2)CC1 89410284 PDUXTGBPZRCBEB-KRWDZBQOSA-N 364.446 0.066 0 40 FCAB Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)CC2 225741034 NQANLHKZZYJFII-ZDUSSCGKSA-N 370.409 0.463 0 40 FCAB Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257239591 HPZZADKQDLANMS-JFIYKMOQSA-N 350.463 0.690 0 40 FCAB CN(C(=O)c1cc(=O)n(C)c(=O)n1C)[C@@H]1CCCN(c2ccccn2)C1 257258524 KUJJSRVMTUTUJV-CYBMUJFWSA-N 357.414 0.220 0 40 FCAB O=C(c1ccc2[nH]nnc2c1)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257308771 TYAUUICGEIIKHU-NSHDSACASA-N 354.370 0.785 0 40 FCAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c12 572258376 OUYCMGCVDBOTLK-WCQYABFASA-N 355.398 0.793 0 40 FCAB COCCN1C[C@H](C(=O)N2C[C@H](c3ccccc3)[C@@H](C(N)=O)C2)CC1=O 577706731 JSHKOMJKPFCLGM-OAGGEKHMSA-N 359.426 0.209 0 40 FCAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(CCC(=O)O)C[C@@H]1CCCO1 583650643 XTCZTYUQHGYJCP-LBPRGKRZSA-N 362.386 0.356 0 40 FCAB Cn1cc(N2[C@H](C(=O)N3CCOCC(F)(F)C3)CC[C@@H]2C(=O)O)cn1 630670309 JGQIKAXIGDORJE-NWDGAFQWSA-N 358.345 0.336 0 40 FCAB O=C1CCCN1[C@@H]1CCN(S(=O)(=O)C[C@H]2COc3ccccc3O2)C1 641454201 VTLNFQWPTAHRRC-ZIAGYGMSSA-N 366.439 0.853 0 40 FCAB Cn1cc(CN2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@@H]3C2)cn1 1549160536 GLLWSAQPRMKQTF-INIZCTEOSA-N 373.457 0.828 0 40 FCAB Cc1cc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCC(F)(F)F)C3)C2)n[nH]1 1565543342 OFHUJNMJGZXDFZ-TZMCWYRMSA-N 362.352 0.757 0 40 FCAB O=C(CN1Cc2ccccc2NC2(CCNCC2)CC1=O)N1CCOCC1 2037989187 YRRUGPMOIBKWAQ-UHFFFAOYSA-N 372.469 0.812 0 40 FCAB NS(=O)(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 3278827 USYIPPBTHRSOKF-UHFFFAOYSA-N 358.383 0.626 0 40 FCAB COc1ccc(CCn2c(NC[C@H](C)O)nc3c2c(=O)[nH]c(=O)n3C)cc1 4386269 NISNMBWYYNCYII-NSHDSACASA-N 373.413 0.467 0 40 FCAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)c1 8380024 BDJGOCVSFFCDPA-CQSZACIVSA-N 365.455 0.415 0 40 FCAB CNS(=O)(=O)Cc1ccc(CNC(=O)COc2cc(C)on2)cc1 8982400 HAPJXCPFENOQAB-UHFFFAOYSA-N 353.400 0.727 0 40 FCAB COc1ccc(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c(OC)c1 12374111 YFNALTNXJWFUAQ-UHFFFAOYSA-N 355.354 0.991 0 40 FCAB C[C@@H](Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)O)c1ccccc1 12443300 DABYCBUUENSUND-SNVBAGLBSA-N 357.370 0.691 0 40 FCAB C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(Cl)c1 15329535 GBIIDDYILGCMEU-VIFPVBQESA-N 357.819 0.777 0 40 FCAB CNc1nc([C@H]2CCCCN2C(=O)CNC(C)=O)nc2c1CN(C)CC2 19711528 VYDWASDBQCIXPD-OAHLLOKOSA-N 360.462 0.696 0 40 FCAB Cc1nccc(-c2cccc(NC(=O)Cn3ccc(=O)n(C)c3=O)c2)n1 25169144 KFIZCSOHKPVSKD-UHFFFAOYSA-N 351.366 0.951 0 40 FCAB CS(=O)(=O)N1CCC(NC(=O)NCc2ccc3c(c2)OCO3)CC1 26280945 XYWHUKXIKHTWKK-UHFFFAOYSA-N 355.416 0.639 0 40 FCAB O=C(Cc1cccs1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 29383640 KUVNKEHZIORFJU-UHFFFAOYSA-N 359.473 0.012 0 40 FCAB COC(=O)C(C)(C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 32809784 GMMIRCFKVQNKIZ-UHFFFAOYSA-N 364.445 0.167 0 40 FCAB CCOC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)CC1 36106429 SEQYRWZXDFJHEB-UHFFFAOYSA-N 373.406 0.405 0 40 FCAB COc1ccc(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 44226908 OQGYICFUTIAEIE-UHFFFAOYSA-N 370.475 0.072 0 40 FCAB CCN(C(=O)CN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 58442212 CQETUYCFTNOYLP-QGZVFWFLSA-N 365.499 0.844 0 40 FCAB O=C1CN(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CCN1 71186486 KPJFGDOBSFVCAT-UHFFFAOYSA-N 355.181 0.662 0 40 FCAB Cc1c(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cnn1C 72335569 DJBKKFHRKKCLDJ-CHWSQXEVSA-N 372.473 0.984 0 40 FCAB COC[C@H]1C[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O 225508460 HXVFEEZFTFMMKU-STRQVWJDSA-N 369.361 0.740 0 40 FCAB biogenic,in-vitro CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NC3CCC3)[C@@H](O)[C@H]2O1 225511495 IHMIJZVJBCLYQU-HGYYMRRCSA-N 355.435 0.039 0 40 FCAB biogenic,in-vitro CC(=O)N[C@@H]1CO[C@@H]2CCCN(C(=O)c3coc(C)n3)[C@@H]2C[C@@]1(C)O 257297364 RGYFUCMUCZLNKB-KCYZZUKISA-N 351.403 0.632 0 40 FCAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)C2CCOCC2)[C@H]1O 514289074 SAIWPVWLEFWHQE-GBESFXJTSA-N 362.470 0.832 0 40 FCAB biogenic,in-vitro Cn1c(=O)n(CC(=O)N[C@@]2(CO)COc3ccccc3C2)c2ccccc21 529818835 DVWCBCZQVWYPFF-FQEVSTJZSA-N 367.405 0.822 0 40 FCAB O=C(Cn1cnc2ccccc2c1=O)NCc1cn(-c2cccnc2)nn1 575414483 SCSXJAVBLCVPCO-UHFFFAOYSA-N 361.365 0.689 0 40 FCAB O=C1COC(=O)N1CC1CN(S(=O)(=O)c2cccc3nsnc23)C1 575617648 YRRVSFLTOIZBJL-UHFFFAOYSA-N 368.396 0.291 0 40 FCAB Cc1snnc1C(=O)N1CCO[C@@H]2C[C@@H](COCC(=O)N(C)C)C[C@@H]21 585108307 XNJKSTBXEAMBHZ-RWMBFGLXSA-N 368.459 0.571 0 40 FCAB CC(C)NC(=O)c1nnc2n1CCN1CCN(C(=O)C3CC(F)C3)C[C@H]21 585109949 SCXWRLCQTYNNJJ-WXRRBKDZSA-N 364.425 0.363 0 40 FCAB CN1C[C@@H](NC(=O)CN(C)c2ncnc3[nH]cnc23)Cc2ccccc21 636267686 PANISKRMRKCDQY-ZDUSSCGKSA-N 351.414 0.966 0 40 FCAB O=C(CN1CCCC[C@@H](O)C1=O)N1CCCN(CC(F)(F)F)CC1 644327043 DEDNXGAIPVNQJY-GFCCVEGCSA-N 351.369 0.456 0 40 FCAB COC1(C(F)(F)F)CCN(C(=O)CN2CCCC[C@H](O)C2=O)CC1 644501172 XOMXGGPKFKAYIS-NSHDSACASA-N 352.353 0.930 0 40 FCAB COCCn1cnc2c(c1=O)OCCN(C(=O)c1csc(C)n1)C2 1565554105 QXWYEDOQPDIKBS-UHFFFAOYSA-N 350.400 0.689 0 40 FCAB Cc1cc(N2CCN(c3cc(C)nc4ncnn34)CC2)nc(N(C)C)n1 1889136343 WETCPUYOPGWQOL-UHFFFAOYSA-N 353.434 0.924 0 40 FCAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(F)c(F)c1)C1=C(COC1=O)N2 4495864 UVVOANRQZOAZLM-LLVKDONJSA-N 361.304 0.731 0 40 FCAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CCCO2)c1 6544277 MITCDTSVZZWIOU-ZDUSSCGKSA-N 356.400 0.598 0 40 FCAB O=C(Cn1[nH]c(=O)ccc1=O)N1CCN(C/C=C/c2ccccc2)CC1 7989295 CVSDPFCHSBZXDS-QPJJXVBHSA-N 354.410 0.394 0 40 FCAB CN(C)C(=O)CN1C(=S)N(c2ccccc2F)[C@@H]2CS(=O)(=O)C[C@@H]21 9340292 UFTDFGBLUYARQI-QWHCGFSZSA-N 371.459 0.486 0 40 FCAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CCCO2)c1 16187754 OUZAWESIMZUWIH-ZDUSSCGKSA-N 372.443 0.620 0 40 FCAB COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccon2)N2CCOCC2)c1 23107093 RGDMQVPSLJVPCM-OAHLLOKOSA-N 374.397 0.811 0 40 FCAB O=C(CN1CCCN(CC(=O)NCc2ccco2)CC1)NCc1ccco1 23698862 YEMOKXKHWJZGOD-UHFFFAOYSA-N 374.441 0.813 0 40 FCAB C[C@]1(NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)CCS(=O)(=O)C1 24448273 ZEEXKKAWHPNVIU-DOMZBBRYSA-N 357.407 0.619 0 40 FCAB CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccccc1Cn1cncn1 25151559 BKGXXHZTYKUENV-HNNXBMFYSA-N 363.443 0.367 0 40 FCAB CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 25702140 UBTARLCKNUTRSA-UHFFFAOYSA-N 366.487 0.657 0 40 FCAB Cc1c(Cl)cccc1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 42986538 JQOSFSCTGJBZRG-UHFFFAOYSA-N 352.865 0.914 0 40 FCAB C[C@H](NC(=O)C1(NS(C)(=O)=O)CCCCC1)C(=O)NC1CCCC1 58423876 YNUATECZOIJRIN-LBPRGKRZSA-N 359.492 0.802 0 40 FCAB Cc1ccc(CCC(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c(C)c1 78453721 QQEVCNMVERYOPG-HNNXBMFYSA-N 366.483 0.998 0 40 FCAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCC(Oc2ncccn2)CC1 85558175 HWQIXGLWBWHSSS-CQSZACIVSA-N 374.441 0.874 0 40 FCAB CO[C@H]1CCN(S(=O)(=O)N(C)C)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96109477 YSUJVAJNLUCCJD-XHSDSOJGSA-N 354.476 0.409 0 40 FCAB CN1CCC(N[C@@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)CC1 96113410 YINUKWPPSQVGOZ-RHSMWYFYSA-N 350.507 0.966 0 40 FCAB biogenic,in-vitro Cc1cccc(N2C[C@]3(COCCN(S(C)(=O)=O)C3)OCC2=O)c1 96240103 HLZULCGPXPGLAG-MRXNPFEDSA-N 354.428 0.389 0 40 FCAB CN1CCC(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)CC1 222735830 SYHJYGZATKHPEQ-UHFFFAOYSA-N 361.493 0.895 0 40 FCAB O=C1CCSC[C@@H](C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)N1 226753971 VMYOGTBJFZCSLT-AWEZNQCLSA-N 363.439 0.719 0 40 FCAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)COc3ccccc3)C[C@@H]21 247561195 YUBHBUUBKWYZTC-BPLDGKMQSA-N 354.428 0.088 0 40 FCAB CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@H]2CN(C)S3(=O)=O)cc1 260834509 MPZYLYXZFASIEX-ZBEGNZNMSA-N 368.411 0.601 0 40 FCAB CN1CC2(CN(Cc3cccnc3)C2)OC[C@@H]1C(=O)NC1CC(F)(F)C1 306131019 JUVRAYZXTZGMHB-OAHLLOKOSA-N 366.412 0.881 0 40 FCAB COCC(=O)N1CCn2cc(CC(=O)NCc3ccccn3)nc2[C@H]1C 585098280 SZHVZVUCCHUVAT-CYBMUJFWSA-N 357.414 0.687 0 40 FCAB O=C(CC1CC1)NCc1cnc2n1CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CC2 585110613 IWBRMYZAZCPMJA-HWWDLCQESA-N 358.442 0.577 0 40 FCAB O=C1CN(C(=O)CCCC(=O)N2CCN(c3ccccc3)CC2)CCN1 604419628 KSBPQQDAHCLELG-UHFFFAOYSA-N 358.442 0.464 0 40 FCAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1nnc(O)nc1O 683255355 GVTJWGXBJKIDGY-CYBMUJFWSA-N 359.386 0.304 0 40 FCAB O=C1[C@@H]2CN([C@H]3CCN(C4CC4)C3=O)C[C@@H]2C(=O)N1Cc1ccccc1 1118561862 UMYKSKZTMXSXAK-BBWFWOEESA-N 353.422 0.867 0 40 FCAB Cc1cnc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2cnc[nH]2)CCO3)nc1 1565541671 LTGIZWNGOVUROV-YJBOKZPZSA-N 372.429 0.184 0 40 FCAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(C(=O)c3csnn3)CC2)C1 1614946828 FOVYVACVJHRIQN-SNVBAGLBSA-N 360.461 0.241 0 40 FCAB COc1cc(N2CCN(CC3CCS(=O)(=O)CC3)CC2=O)ccn1 1776009105 IHHZHSQZCZAVOJ-UHFFFAOYSA-N 353.444 0.564 0 40 FCAB NC(=O)c1cc(OC2CN(C(=O)c3cccc4c3OCCO4)C2)ccn1 1889149532 DFWQZPSMLIFLMF-UHFFFAOYSA-N 355.350 0.855 0 40 FCAB COC(=O)c1sc(S(=O)(=O)N[C@H](C)C(=O)O)c(C(=O)OC)c1C 1795968 ZIZJPORRLBDXKM-ZCFIWIBFSA-N 365.385 0.381 0 40 FCAB in-vitro NC(=O)CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1 4358412 PLIWCUFNGMIEBO-UHFFFAOYSA-N 356.411 0.674 0 40 FCAB COC(=O)c1nnn(CC(=O)Nc2ccc(F)cc2F)c1C(=O)OC 4969594 MWTCQYQBQCAMRK-UHFFFAOYSA-N 354.269 0.768 0 40 FCAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H](C4=Cc5sc(=O)[nH]c5S[C@H]43)[C@H]2C1=O 6590799 DZZSDUMZGMILBC-XNTXDZLFSA-N 364.404 0.630 0 40 FCAB CCn1c(=O)n(CC(=O)NCCO)c(=O)c2c3c(sc21)CCCC3 6760134 ZAOOMAPMEOFKQG-UHFFFAOYSA-N 351.428 0.232 0 40 FCAB CCCc1cc(=O)[nH]c(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 8617382 BIKGUXKNHGCQFR-NSHDSACASA-N 359.473 0.460 0 40 FCAB Cc1nc2cc(N[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)ccc2o1 12514339 ZMEKNMRYQRBSIR-QMMMGPOBSA-N 357.370 0.799 0 40 FCAB C[C@H](Sc1ncccn1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 14137689 WEAZIKVNVDXWPN-NSHDSACASA-N 366.468 0.964 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc4nnnn4n3)CC2)cc1 14249074 DANMFVZJIPMVBV-UHFFFAOYSA-N 359.415 0.339 0 40 FCAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2SC[C@@H](C(=O)O)NC2=O)cc1 20635067 MXPWKHQZGCZBLP-RYUDHWBXSA-N 351.384 0.658 0 40 FCAB C[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)O 41058347 PFRDQQWWZMBLMY-ZWNOBZJWSA-N 358.391 0.958 0 40 FCAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)N[C@H]1CCS(=O)(=O)C1 44921739 WXTAODMPMHFTJB-NSHDSACASA-N 365.386 0.353 0 40 FCAB C[C@@H]1CCC[C@@](CNC(=O)c2cn(CC(=O)N(C)C)nn2)(N(C)C)C1 56986413 KIYFQCXUGLLAHT-CXAGYDPISA-N 350.467 0.607 0 40 FCAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 58248594 VOMGZANWMQENMK-GFCCVEGCSA-N 374.484 0.579 0 40 FCAB CN(C)S(=O)(=O)N1CCC(c2ccnc(Nc3cncnc3)n2)CC1 72354967 URXBTMDEORYZHZ-UHFFFAOYSA-N 363.447 0.996 0 40 FCAB O=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1[nH]nc2c1CCCC2 95476273 IFZQESKWTQSAMR-UHFFFAOYSA-N 353.382 0.722 0 40 FCAB Cc1cccc(N2C[C@@]3(COCCN(S(C)(=O)=O)C3)OCC2=O)c1 96240104 HLZULCGPXPGLAG-INIZCTEOSA-N 354.428 0.389 0 40 FCAB CCNC(=O)NC(=O)CN1CCC(NC(=O)c2scnc2C)CC1 96314773 XDJSIINOLKIGKT-UHFFFAOYSA-N 353.448 0.491 0 40 FCAB CCCNC(=O)CN1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 96865440 WGFUPNMRSHMAKX-UHFFFAOYSA-N 365.478 0.342 0 40 FCAB Cc1cc(N2CCC[C@H](NS(=O)(=O)CC[C@H]3CCCO3)C2=O)n(C)n1 97015034 FEFAXWWICQBILM-KGLIPLIRSA-N 370.475 0.712 0 40 FCAB CC(=O)NC[C@]1(O)CCN(C(=O)COc2ccccc2Cl)C[C@H]1O 257246549 IUQNSOBXCQQQBN-GDBMZVCRSA-N 356.806 0.179 0 40 FCAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NC(C)C 408626274 VRRTWEZFHIBRHD-UHFFFAOYSA-N 356.444 0.919 0 40 FCAB CN(C)CCN1CC[C@]2(CN(C(=O)c3cocn3)CC(F)(F)C2)C1=O 585093419 VQMCQRHHELFUIL-HNNXBMFYSA-N 356.373 0.936 0 40 FCAB Cn1cnc(C(=O)N2C[C@H]3OC[C@@H](CC(=O)NCc4ccco4)[C@H]3C2)n1 585108392 DMWNLAPMSVGUMG-MRVWCRGKSA-N 359.386 0.202 0 40 FCAB Cc1ccc(=O)n(CC2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)n1 585603289 NGTXKAGPSMEDBL-UHFFFAOYSA-N 361.423 0.807 0 40 FCAB Cc1ncnc(C(=O)N2CCN(C(=O)N(C)C)C[C@@]3(CNC(=O)C3)C2)c1C 1565554224 UOUFFKMRIPRYFY-SFHVURJKSA-N 374.445 0.039 0 40 FCAB Cc1ncc(C(=O)N2C[C@@H]3CN(c4nccn5nnnc45)C[C@]3(C)C2)s1 1616034316 ZKZYCIVCVMQCPB-MEDUHNTESA-N 370.442 0.883 0 40 FCAB O=C1N[C@H]2CCOC[C@H]2NC(=O)C2(CC=CCOc3ccccc31)CNC2 1772770676 SUBUTSOBYDQPRB-JKSUJKDBSA-N 371.437 0.618 0 40 FCAB c1nc2c(c(N3CCN(c4ccc(N5CCOCC5)nn4)CC3)n1)CCC2 1889104447 ZSPYCOQGPDBRHM-UHFFFAOYSA-N 367.457 0.919 0 40 FCAB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3c(Cl)cnn3C)[C@@H]2SC1 2752044 QCWDXOZIIAXUNK-KRTXAFLBSA-N 356.791 0.446 0 40 FCAB COCCNC(=S)N(CCO)Cc1cc2ccc(OC)cc2[nH]c1=O 4133124 BRQHGUGLKWQIDU-UHFFFAOYSA-N 365.455 0.852 0 40 FCAB O=C(O)CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OC1CCCCC1 4511886 MEMBHURUESYFTM-CYBMUJFWSA-N 354.403 0.834 0 40 FCAB in-vitro COC(=O)C1=NN(CCC(C)=O)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]12 5023557 PQTJGXRJALZIPU-ZBFHGGJFSA-N 371.393 0.985 0 40 FCAB COc1cc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc(OC)c1OC 5925100 VKCYYRCBSOAUCN-UHFFFAOYSA-N 374.400 0.464 0 40 FCAB CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)O)C(=O)[C@@H]1CCCCN21 9740434 HYMBIMOYMUAZNF-ZDUSSCGKSA-N 367.427 0.727 0 40 FCAB O=S(=O)(c1ccn(S(=O)(=O)c2ccccc2)c1)N1CCOCC1 13585784 KNRIOPULIBIBCZ-UHFFFAOYSA-N 356.425 0.746 0 40 FCAB Cc1nccn1CCCNC(=O)Cn1c(=O)c2ccccc2n(C)c1=O 19288136 MYHADQPJPUFBKY-UHFFFAOYSA-N 355.398 0.412 0 40 FCAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3c2cnn3C)CC1 24989300 YLWOOBIRVUTQQP-CQSZACIVSA-N 354.476 0.975 0 40 FCAB Cc1cc(N2CCN(C[C@H](O)CN3CCOCC3)CC2)nc(C(C)C)n1 29632457 WNRCIBYZDPUPKU-KRWDZBQOSA-N 363.506 0.724 0 40 FCAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccc(O)nn1 36618211 RBLMFJOPTVJQEP-UHFFFAOYSA-N 364.383 0.925 0 40 FCAB O=C(CN1CCN(c2ccc(F)cc2)CC1)N[C@H]1CCS(=O)(=O)C1 57440301 UOEOOXLDZHQQJZ-AWEZNQCLSA-N 355.435 0.251 0 40 FCAB CCCC[C@@H](NC(N)=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 58063683 LYZBVPKFKJMEFO-CQSZACIVSA-N 370.475 0.617 0 40 FCAB O=C1NC[C@@H]2CN(c3ncnc4sc5c(c34)CCCC5)CCN2C1=O 79046671 ARXQLDOPEUHGDQ-SNVBAGLBSA-N 357.439 0.717 0 40 FCAB Cn1nc(C(=O)N2CCCSC[C@@H]2CN2CCOCC2)ccc1=O 85473296 XBKZXKYWUJQVDE-ZDUSSCGKSA-N 352.460 0.060 0 40 FCAB O=S(=O)(C1CC1)N1CCC[C@]2(COCCN(c3cnccn3)C2)C1 96076831 VGCXNDBOQODNFO-MRXNPFEDSA-N 352.460 0.888 0 40 FCAB COC(=O)C[C@H]1CCCCN1C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 102780997 JKRQPJJVYPCBRK-PMUIAIRXSA-N 360.410 0.738 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)NCc2nccc(N3CCCC3)n2)CC1 224152241 PJQHGBPKWXPNED-UHFFFAOYSA-N 367.475 0.365 0 40 FCAB O=C(N[C@@H]1CN2CCOC[C@H]2[C@@H]1OCc1ccccn1)c1ccccn1 247511318 TXEAVYUVLSVYHM-FGTMMUONSA-N 354.410 0.875 0 40 FCAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)CC1 253473133 RSBSPWWGRDTKIR-AWEZNQCLSA-N 367.475 0.601 0 40 FCAB Cc1cn([C@@H]2CC[C@@H](NC(=O)c3ccccc3)[C@@H](O)[C@@H]2O)c(O)nc1=O 257224824 FDNWUKCFQUNFSK-KBUPBQIOSA-N 359.382 0.113 0 40 FCAB CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccn3C)C2)ncn1 257316620 VGIZQIRFNCSKSI-GOSISDBHSA-N 358.446 0.960 0 40 FCAB C[C@@]1(C2CCN(C(=O)c3ccc(C(=O)O)cc3F)CC2)NC(=O)NC1=O 262350824 HGUQONSAFUPQGP-KRWDZBQOSA-N 363.345 0.974 0 40 FCAB COc1ccc(N(CC(=O)NCCCn2ccnc2)S(C)(=O)=O)cc1 408615588 QYDVAFGORBBBQI-UHFFFAOYSA-N 366.443 0.864 0 40 FCAB CCOc1cc(C(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)ccc1OCC(=O)O 585138620 OXBCAVMXIPBIGJ-CJNGLKHVSA-N 364.398 0.704 0 40 FCAB O=C1N[C@H]2OCC[C@H]2C2(C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2cnc[nH]2)N1 585290922 IWTMKAAYSIEGIV-UEZXUQSQSA-N 357.414 0.991 0 40 FCAB N=c1nc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)[nH]c(=N)[nH]1 623874169 ANNODNFUHVAFJS-UHFFFAOYSA-N 352.402 0.069 0 40 FCAB c1cnc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)cn1 631534973 RLGCUVKBESVSFA-UHFFFAOYSA-N 355.446 0.468 0 40 FCAB O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccn(CCn2cccn2)n1 644069144 DFDQXBCXBOOZOL-INMHGKMJSA-N 358.446 0.497 0 40 FCAB Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CCCc3nn[nH]c32)n1 1005586649 LEEMYGISSSNHMI-WVWOOGAGSA-N 369.429 0.818 0 40 FCAB O=C(c1nccc(C(F)(F)F)n1)N1CCN(S(=O)(=O)C2CC2)CC1 1888864400 DXEFCXQXZSDBFG-UHFFFAOYSA-N 364.349 0.745 0 40 FCAB Cc1nc(N2C[C@@H]3CN(c4ncnc5ncn(C)c45)C[C@H]3C2)nc(O)c1F 1888901036 MJIAUAVGONUSQV-QWRGUYRKSA-N 370.392 0.879 0 40 FCAB CCc1cc(C(=O)N2CCO[C@@]3(COCC(=O)N(C(C)C)C3)C2)no1 2037985138 YQEYNDUIZNBRRF-KRWDZBQOSA-N 351.403 0.715 0 40 FCAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C[C@H]12 2055717964 OEPODDOYAGEYCZ-SLEUVZQESA-N 369.443 0.578 0 40 FCAB CCOc1cc(CNn2nnnc2N)ccc1OCC(=O)NC(C)(C)C 679385 HAJKCHWPCJCFQF-UHFFFAOYSA-N 363.422 0.691 0 40 FCAB CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccnc1 1480261 GEOFHUQNOGYFRP-ZDUSSCGKSA-N 356.382 0.874 0 40 FCAB CNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cc(C)ccc1C 4569699 KFWYBQBVEUELEA-CYBMUJFWSA-N 353.444 0.319 0 40 FCAB Cn1c(=O)c2nc(SCC(=O)N3CCCCC3)n(C)c2n(C)c1=O 4571003 IKYMEMQAMCYUEB-UHFFFAOYSA-N 351.432 0.075 0 40 FCAB CCOC(=O)[C@@H]1C(=O)NC(C(=O)OCC)(C(=O)OCC)[C@@H]1[C@H](C)CC 4897385 TWEJOQSOWLBDGC-GRYCIOLGSA-N 357.403 0.823 0 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COC(=O)[C@H](C)N(C(=O)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 32641295 RRILABOJLBEAGA-JSGCOSHPSA-N 369.439 0.815 0 40 FCAB O=C(CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NC1CC1 32902646 GMDZFXQLSOVRKB-OAHLLOKOSA-N 365.455 0.625 0 40 FCAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375100 AWHPEGKWPUMIRZ-SJIRQMNFSA-N 370.409 0.081 0 40 FCAB NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccnc2)CC(O)=N3)CC1 61720089 IQPXOMQWRBHYCS-GFCCVEGCSA-N 368.397 0.990 0 40 FCAB CC(=O)N1CCN(c2c(NC3CC(C)(C)NC(C)(C)C3)c(=O)c2=O)CC1 101442214 ULZVVRJYPFLFCX-UHFFFAOYSA-N 362.474 0.672 0 40 FCAB O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220728000 RMTFYUSEPDFMFE-GFCCVEGCSA-N 373.413 0.668 0 40 FCAB COc1ccc(C(=O)N2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)cc1 248124632 GZLNOECAAAAFCD-CQSZACIVSA-N 364.427 0.638 0 40 FCAB CC(C)NC(=O)c1cn2c(nc1=O)[C@@H]1CN(C(=O)c3ccco3)C[C@@H]1C2 306130150 IXMXRJRIEYHKET-NWDGAFQWSA-N 356.382 0.844 0 40 FCAB COc1ncccc1C(=O)NCc1nc(N(C)C)nc(N2CCOCC2)n1 575607338 SOCOVYPDMCMPEV-UHFFFAOYSA-N 373.417 0.108 0 40 FCAB CC(=O)N[C@H]1CC2(CCN(C(=O)/C=C/CN(C)C)CC2)OC[C@]1(C)O 585290108 SFLBTEUDKMKWAR-KAWBWNIXSA-N 353.463 0.141 0 40 FCAB Cn1c(O)nc(N2C[C@@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]3C2)cc1=O 1888853930 ARCPEYOZZQJIFD-VXGBXAGGSA-N 371.397 0.560 0 40 FCAB COc1ccnc(N2C[C@H]3CN(c4ncnc5c4cnn5C)C[C@@H]3C2)n1 1888879205 MYMOJYDGHLXTPV-VXGBXAGGSA-N 352.402 0.735 0 40 FCAB C[C@H]1CN(C(=O)CN2CCN(c3ccc(N(C)C)nn3)CC2)C[C@H](C)O1 2086884596 SCOLPNAPDDFFOD-GJZGRUSLSA-N 362.478 0.300 0 40 FCAB CC(C)(CO)[C@H](O)C(=O)NCCS(=O)(=O)Nc1ccc(Cl)cc1 1608616 AUAVIXFKKAEUEX-GFCCVEGCSA-N 364.851 0.577 0 40 FCAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)NCC(F)(F)F 3327032 BIGKGUHMSVLQKM-CQSZACIVSA-N 357.288 0.895 0 40 FCAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCn1nnc3ccccc3c1=O)CS2 3364630 RCJLBWOLCLQXSU-WBMJQRKESA-N 360.395 0.746 0 40 FCAB Cc1ccc(OC[C@@H]2Cn3c(nc4c3c(=O)n(C)c(=O)n4C)O2)cc1C 4371054 HCSKBOYMPQRNRN-ZDUSSCGKSA-N 356.382 0.891 0 40 FCAB CN(CC(=O)O)S(=O)(=O)c1ccc(I)cc1 5509666 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Cc1cc(N2Cc3ccnn3[C@H](CN3CCCC3=O)C2)n2ncnc2n1 306139487 SYLQXHAGOKFARK-CQSZACIVSA-N 352.402 0.813 0 40 FCAB Cn1cc(CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nn1 328849510 BGPQQKRJSLHLEE-UHFFFAOYSA-N 353.423 0.897 0 40 FCAB COc1cc(Cl)c(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)cc1OC 565994668 CBTBSNNSIJMRSO-NSHDSACASA-N 365.791 0.831 0 40 FCAB CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2F)C1=O)[C@@H]1CCNC1 585086648 ABJMHMNONBQIIA-DGCLKSJQSA-N 366.368 0.990 0 40 FCAB C[C@H]1CCn2ncc(C(=O)N[C@H]3CCN(c4ccc5nncn5n4)C3)c2C1 628726934 YAMZHVGPEZWMMG-STQMWFEESA-N 366.429 0.912 0 40 FCAB CN(C)C(=O)COC[C@H]1CN(c2ncccc2C(=O)O)CC(C)(C)O1 647454160 FYAFWVVNHPNTSS-GFCCVEGCSA-N 351.403 0.868 0 40 FCAB CC(C)N(CC(N)=O)C(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1135624716 MCLSSTCXFPQLCQ-KRWDZBQOSA-N 357.451 0.861 0 40 FCAB CCC/C=C/C=C/C1=C(CO)[C@@H]2O[C@H](C(C)(C)O)C[C@]2(O)[C@H](O)[C@@H]1O 1772591156 JNZPJFJLCQONRT-IMNUMANYSA-N 354.443 0.583 0 40 FCAB CCCS(=O)(=O)N1CCC(Nc2ccnn2C)(C(=O)N(C)C)CC1 2055746420 AOMKERPDKJBAON-UHFFFAOYSA-N 357.480 0.495 0 40 FCAB COc1ccc(C(=O)N2C[C@H]3CCN(CC(=O)N(C)C)CC[C@H]3C2)cn1 2056223763 DXMJDYPWBKIENS-IYBDPMFKSA-N 360.458 0.962 0 40 FCAB CCn1cnc2c(N3CCN([C@@H]4CCN(C(C)C)C4=O)CC3)ncnc21 2086861086 GASKFVYSLPBMDP-CQSZACIVSA-N 357.462 0.978 0 40 FCAB Cc1cnn(CCN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1 2087126159 MQEJKRRGHCPTJR-UHFFFAOYSA-N 371.489 0.949 0 40 FCAB CCN1CC[C@H](S(=O)(=O)CCS(=O)(=O)[C@@H]2CCN(CC)C2)C1 1703878 WKGVJFDPFDGRMG-OKILXGFUSA-N 352.522 0.004 0 40 FCAB O=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1nc(-c2ccccc2)cs1 2637987 GLMPBGFJBNMQNI-UHFFFAOYSA-N 372.362 0.982 0 40 FCAB COc1ccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)cc1 2690617 HIJHNNAKJPQRND-JSRQGNBESA-N 367.398 0.816 0 40 FCAB biogenic CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccco1 6762645 QLXBCXSHNLLFBK-SNVBAGLBSA-N 353.400 0.436 0 40 FCAB CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccco1 6762647 QLXBCXSHNLLFBK-JTQLQIEISA-N 353.400 0.436 0 40 FCAB Cn1c(N)c(C(=O)CN2CCCSc3ccccc32)c(=O)n(C)c1=O 12551394 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CCOC(=O)[C@@]12CNC[C@@]1(C(=O)OCC)CN(C(=O)OC(C)(C)C)C2 601013347 LJNPZLVXNVYNFT-IRXDYDNUSA-N 356.419 0.939 0 40 FCAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(F)c2C)CCO1 643429653 BXNOWUJYABGMMV-ZDUSSCGKSA-N 352.362 0.908 0 40 FCAB O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc2c1OCCCO2 653290300 QGVVQTNIMVROTE-LLVKDONJSA-N 355.368 0.172 0 40 FCAB O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@H]2O1 1565552110 KORPLSMMLPWGJN-GNVXKGRQSA-N 358.398 0.314 0 40 FCAB CCc1cc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)ncn1 1888857141 SZOAXZIVGBDLDA-UHFFFAOYSA-N 355.446 0.992 0 40 FCAB O=C(NC1CCC1)c1nnc2n1C[C@]1(CCN(C(=O)c3cc[nH]n3)C1)OC2 2055793504 LRFQRTBKTAULHZ-QGZVFWFLSA-N 371.401 0.099 0 40 FCAB CC(C)CNC(=O)NC(=O)COC(=O)Cn1cnc2ccccc2c1=O 3450200 ZRYZPLLIWXDXTN-UHFFFAOYSA-N 360.370 0.422 0 40 FCAB CN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 5400117 JRUFEZFRUNWCDX-CYBMUJFWSA-N 364.423 0.899 0 40 FCAB CCCn1c(N)c(N(CCOC)C(=O)c2ccccc2F)c(=O)[nH]c1=O 6508129 CNKDYALOBNPGPG-UHFFFAOYSA-N 364.377 0.961 0 40 FCAB O=C(COC(=O)c1ccc(Cl)nc1)NCCN1C(=O)CSC1=O 6634494 VXDPSJIKGAOOPH-UHFFFAOYSA-N 357.775 0.703 0 40 FCAB COCCNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccco1 11844894 SBOYIXORKPZSNI-UHFFFAOYSA-N 360.370 0.056 0 40 FCAB CCc1noc(CCC(=O)N2CCO[C@H](C(=O)NC3CCCC3)C2)n1 19750504 GBVXIYWEYQYIIL-ZDUSSCGKSA-N 350.419 0.851 0 40 FCAB CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 25374671 GJOTUJTYJVXFAM-AAEUAGOBSA-N 374.484 0.680 0 40 FCAB O=C1CSc2sc3c(=O)n(CCN4CCOCC4)cnc3c2N1 27562792 JYOSYKLFODXCAE-UHFFFAOYSA-N 352.441 0.834 0 40 FCAB CC[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N1CCc2ccccc2C1 32446932 QBINYTQWMMEXEE-MRXNPFEDSA-N 356.426 0.490 0 40 FCAB O=C1CCSc2ccc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cc2N1 32881947 BYBSKEASUZZPOE-UHFFFAOYSA-N 374.422 0.935 0 40 FCAB O=C(Cn1nnc(-c2cc(F)ccc2Br)n1)N1CCNC1=O 58209800 UBNGIACMQHRQJL-UHFFFAOYSA-N 369.154 0.794 0 40 FCAB O=C(C[C@@H](CN1CCN(CCO)CC1)C(=O)O)Nc1ccc2cc[nH]c2c1 72406508 ZEVRELHDTQBFGQ-HNNXBMFYSA-N 374.441 0.807 0 40 FCAB 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O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)N1CCNC1=O 9466288 DQUYGKLHYWARFT-MRXNPFEDSA-N 361.379 0.710 0 40 FCAB CC1=NN(CCBr)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 10108760 BRAVGBPGBUIXAA-UHFFFAOYSA-N 355.196 0.025 0 40 FCAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 11689592 XANPCNAZZGWYEE-LLVKDONJSA-N 362.429 0.119 0 40 FCAB O=C(NN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)o1 13139200 TWZRJTJYNJRZFB-KXOWCNOMSA-N 355.144 0.849 0 40 FCAB CC[C@@H]1c2ccsc2CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 14200337 HAHZTHADTVXVGE-LLVKDONJSA-N 362.455 0.920 0 40 FCAB Cc1cc(Cn2c(Br)nc3c(=O)n(C)c(=O)n(C)c32)no1 20053616 ABUOEJRNIARNST-UHFFFAOYSA-N 354.164 0.541 0 40 FCAB O=C(CCCNc1nc(Cl)nc2[nH]cnc12)NCCN1CCOCC1 20651009 JSGTWQWTBCQMMU-UHFFFAOYSA-N 367.841 0.647 0 40 FCAB CC(C)CNC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22228109 ZRWOHTRGBCWQJR-UHFFFAOYSA-N 369.487 0.804 0 40 FCAB O=C(NCCN1CCOCC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 23006347 WSIXJNMSFLVHGT-UHFFFAOYSA-N 374.441 0.590 0 40 FCAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(CC(=O)NC2CC2)CC1 23249238 TUBLOXAPROUJNS-CQSZACIVSA-N 362.478 0.260 0 40 FCAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(CC(=O)NC2CC2)CC1 23249239 TUBLOXAPROUJNS-AWEZNQCLSA-N 362.478 0.260 0 40 FCAB Cn1c(CS(=O)(=O)Cc2ccccc2OC(F)F)cc(=O)n(C)c1=O 32929925 RRSNAZMPPSHFIE-UHFFFAOYSA-N 374.365 0.800 0 40 FCAB CCOC(=O)c1nnn(-c2ccc(NS(=O)(=O)N(C)C)cc2)c1N 33435977 WWUKTRXFQOMLLZ-UHFFFAOYSA-N 354.392 0.245 0 40 FCAB Cc1ccc(NC(=O)c2ccc(=O)n(CC(=O)N3CCOCC3)n2)cc1 35449357 PGGCGWQTUWVLHA-UHFFFAOYSA-N 356.382 0.663 0 40 FCAB CN(CC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C 57915774 XHEOVBVRVTUWGI-UHFFFAOYSA-N 363.480 0.641 0 40 FCAB CCN(C)Cc1cccc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)c1 58185633 MFNNFTQNWPQOFD-UHFFFAOYSA-N 368.441 0.898 0 40 FCAB C[C@@H]1CN(CCCNc2ccc(S(N)(=O)=O)cc2C(N)=O)C[C@@H](C)O1 75108989 XCUHIEULYJXSHZ-VXGBXAGGSA-N 370.475 0.344 0 40 FCAB Cn1ccnc1CN1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 96158967 PWQKKSHDKNBQPY-UHFFFAOYSA-N 356.430 0.717 0 40 FCAB Cn1c(=O)c2cc(S(=O)(=O)NC3[C@H]4CCCC[C@H]34)ccc2n(C)c1=O 100768650 OTDGJSLGNQBFRK-RYUDHWBXSA-N 363.439 0.704 0 40 FCAB CC(=O)N[C@@]12CN(CC(N)=O)CC[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 257312340 UNMJBWYEWWZPNZ-BHIYHBOVSA-N 358.442 0.272 0 40 FCAB Cn1cnc(C(=O)N2CC[C@H]3C[C@@H](C(=O)NCc4ccco4)O[C@@H]3C2)n1 1565545007 BNWSQZGBQHIPGO-FPMFFAJLSA-N 359.386 0.344 0 40 FCAB Cc1nc(CN2CCO[C@H]3CN(C(=O)Cn4ccccc4=O)C[C@@H]32)cs1 2056224048 BMLSOFHGEAILGK-HOTGVXAUSA-N 374.466 0.725 0 40 FCAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCOCCOCCOCC1 825933 ONBLUUMWVHKMAF-UHFFFAOYSA-N 362.382 0.175 0 40 FCAB COC(=O)CNC(=O)CCC(=O)N1CCN(c2ccccc2F)CC1 4711098 QAGLGQUMEOZNSW-UHFFFAOYSA-N 351.378 0.544 0 40 FCAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)O 6759385 RIAGHMBGHWDNPV-JTQLQIEISA-N 358.391 0.816 0 40 FCAB CCn1c(SCC(=O)N[C@]2(C)CCS(=O)(=O)C2)nnc1C1CC1 8249230 RRFKIRGIFYNVLN-CQSZACIVSA-N 358.489 0.961 0 40 FCAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=COCCO3)CC2)cc1 8734509 LSYWIMVKBKOFLP-UHFFFAOYSA-N 352.412 0.716 0 40 FCAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O 8769389 MJUAAHJNUDIFQI-UHFFFAOYSA-N 355.391 0.921 0 40 FCAB COc1cc(NC(=O)CN2CCCC[C@H]2C(N)=O)cc(OC)c1OC 9051500 RRUSNMXBRJFEGM-LBPRGKRZSA-N 351.403 0.991 0 40 FCAB CCN(C(=O)[C@@H](C)Sc1nnc(N)s1)[C@@H]1CCS(=O)(=O)C1 12773173 ZQKCGTOHSPYGAN-HTQZYQBOSA-N 350.491 0.637 0 40 FCAB COc1cc2c(cc1OC)CN(C(=O)CN1CCN(C(C)=O)CC1)CC2 15257357 UDRDLDASJBZSDA-UHFFFAOYSA-N 361.442 0.753 0 40 FCAB Cn1ccnc1[C@@H](NS(=O)(=O)N1CCOCC1)c1ccccc1F 32900066 RZCCVHNWBALFQK-AWEZNQCLSA-N 354.407 0.815 0 40 FCAB O=C(Cn1nnc2ccccc2c1=O)NCC(=O)Nc1ccc(O)cc1 36366994 TVXXBTVWBHGECE-UHFFFAOYSA-N 353.338 0.252 0 40 FCAB CS(=O)(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccc(Cl)cc21 38832761 NQPJPUODQMQUPZ-CYBMUJFWSA-N 360.819 0.726 0 40 FCAB CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1 48334020 LAEXFPSOEQWKFP-CQSZACIVSA-N 361.508 0.669 0 40 FCAB O=C(c1ncccn1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 56906788 QMQCSUQNGLAXDU-UHFFFAOYSA-N 355.402 0.066 0 40 FCAB 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