smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CNC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(C)s1 6679991 FVCBLFUOAXLNOP-UHFFFAOYSA-N 326.399 1.923 10 40 EDCB COc1cccc(N2C(=O)NC(=O)/C(=C/NN3CCCCC3)C2=O)c1 19949976 ZEHLFPXSQGFHII-KAMYIIQDSA-N 344.371 1.152 10 40 EDCB O=C(O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1O 3173341 LPRZQFXSZRFEFI-UHFFFAOYSA-N 338.297 1.799 10 40 EDCB CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O 7974973 PEVZMZIOLKXJNJ-UMBPPFEGSA-N 334.332 1.001 10 40 EDCB COc1ccc(N2CCN(C[C@H](O)Cn3nc(C)cc3C)CC2)cc1 195578486 WDCMLQHKANWWEB-SFHVURJKSA-N 344.459 1.692 10 40 EDCB COc1ccc(N2CCCN(C(=O)Cn3ccccc3=O)CC2)cc1 55877741 JZINZMJILAKERV-UHFFFAOYSA-N 341.411 1.596 10 40 EDCB COC[C@@]1(CC(N)=O)CN(Cc2ccc(N3CCCC3)cc2)CCO1 585277722 KUQWZSHSFLMPTL-LJQANCHMSA-N 347.459 1.380 10 40 EDCB C[C@@H](CCc1ccc(C(N)=O)cc1)NC[C@H](O)c1ccc(O)c(O)c1 6020665 MEPKHRALNXMWTH-SGTLLEGYSA-N 344.411 1.841 10 40 EDCB CCN(CC)CCN/C=C1\C(=O)N(Cc2ccco2)C(=O)N=C1O 102700723 XNHGDACITWTKEF-RAXLEYEMSA-N 334.376 1.514 10 40 EDCB CN(CC(=O)Nc1sccc1C(N)=O)Cc1ccc(N(C)C)cc1 7361291 OEWPMTPHQNIDJQ-UHFFFAOYSA-N 346.456 1.984 10 40 EDCB COC(=O)c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 212870 MCXFRHZYNRYYQF-UHFFFAOYSA-N 333.325 1.810 10 40 EDCB COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1[N+](=O)[O-] 59139293 OKBQBKPJZGEWFS-UHFFFAOYSA-N 335.341 1.202 10 40 EDCB Cc1c(NC=C2C(=O)N(C)C(=O)N(C)C2=O)ccc([N+](=O)[O-])c1C 408532514 MXUJIKXIEKTFNX-UHFFFAOYSA-N 332.316 1.558 10 40 EDCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccco1 409218338 UFZMQMTUUXOXDW-XYOKQWHBSA-N 327.252 1.854 10 40 EDCB Cc1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)on1 55916792 XWJQCMSHGWBCPT-AWEZNQCLSA-N 342.399 1.615 10 40 EDCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3cccn3C)C2=O)c1 5943412 RQQLQBMTNROFRQ-UVTDQMKNSA-N 325.324 1.700 10 40 EDCB COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(C(=O)N(C)C)CC2)c1 65501834 GMWUQATWKPOIOS-GFCCVEGCSA-N 349.431 1.972 10 40 EDCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(C(=O)O)cc1 408809656 INBJNJDGYAZZMN-ZSOIEALJSA-N 325.324 1.973 10 40 EDCB Cc1nc([C@H]2CNCCO2)cc(N(C)c2ccc3c(c2)OCCO3)n1 257229545 FYMIMXXDYDVQJM-QGZVFWFLSA-N 342.399 1.985 10 40 EDCB COc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1[N+](=O)[O-] 543042 QHKIXYOJDGKAOZ-UKTHLTGXSA-N 349.368 1.906 10 40 EDCB Nc1ccc(CN(c2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575422367 VBNCOOSUKFIXRI-IAGOWNOFSA-N 348.424 1.139 10 40 EDCB Cn1cccc1/C=C1\SC(=S)N(CCS(=O)(=O)O)C1=O 19891608 OFAHVLTZMFUOFP-CLFYSBASSA-N 332.428 1.114 10 40 EDCB CN(C)/C=C1\SC(=S)N(N2C(=O)c3ccccc3C2=O)C1=O 1387675 XQJGLYVWYNOVLP-YFHOEESVSA-N 333.394 1.461 10 40 EDCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccccn1 408594611 UHVZUQXYJAEYQD-MDWZMJQESA-N 340.339 1.466 10 40 EDCB N[C@@H]1CCCC[C@H]1N/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 20291880 VMNVYGXDZFTPSS-XMNZZIDVSA-N 344.440 1.178 10 40 EDCB CN1C(=O)C(=Cc2ccc3c(c2)OCC(C)(C)CO3)C(=O)N(C)C1=O 225369975 VTJDLQDMRGMESR-UHFFFAOYSA-N 344.367 1.918 10 40 EDCB CCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N(CC)C1=S 6274675 JKWWXGYDNYAPEI-UHFFFAOYSA-N 333.369 1.974 10 40 EDCB COc1ccc2c(c1OC)C(=O)O[C@H]2NN1C(=O)CSC1=S 5375370 RGYWQBFNNZTFAB-LLVKDONJSA-N 340.382 1.238 10 40 EDCB CN1CCc2cc(CNC[C@@H]3CCn4ncc(C(N)=O)c4C3)ccc21 585655589 YYNVZJNUUNPGMA-CQSZACIVSA-N 339.443 1.327 10 40 EDCB CN1/C(=C\C=C2C(=O)NC(=S)NC2=O)C(C)(C)c2ccccc21 12514721 PUSFVWZINMLTED-LCYFTJDESA-N 327.409 1.755 10 40 EDCB CCN(C)c1ccc(CNS(=O)(=O)CCCC(=O)OC)cc1F 71921632 SRFAKKFCWUMCPD-UHFFFAOYSA-N 346.424 1.654 10 40 EDCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)N(C)C(=O)N=C1O 5854866 IAOHPMJXVFPVEZ-OYGDSYQHSA-N 326.312 1.500 10 40 EDCB Cc1ccc(N2C(=O)/C(=C\NCCCN(C)C)C(=O)N=C2S)cc1 102538877 YNKNCZSNNMCQDB-KAMYIIQDSA-N 346.456 1.579 10 40 EDCB O=C1CN(c2ccc(CNC(=O)c3cc(C4CC4)on3)cc2)CCN1 44933788 NBYJDUVUJHHZPG-UHFFFAOYSA-N 340.383 1.418 10 40 EDCB O=C1/C(=C/c2ccccc2O)SC(=S)N1CN1CCOCC1 13406740 YKYCZGPATIUELM-LCYFTJDESA-N 336.438 1.883 10 40 EDCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C/Nc1ccc2c(c1)OCO2 5626284 JOMMASUXUYHPOR-UXBLZVDNSA-N 331.353 1.117 10 40 EDCB O=C1c2ccccc2C(=O)c2cc(CC(=O)N3CCOCC3)ccc21 5685342 AHTJEIOAAOWNEH-UHFFFAOYSA-N 335.359 1.863 10 40 EDCB CC(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)n(C)c1 56199212 RMLRUCGLUAMKQJ-UHFFFAOYSA-N 341.411 1.994 10 40 EDCB CN(C)c1ccc(/C=c2/sc3nnc(-c4cccnc4)n3c2=O)cc1 17197601 POSSXXCOJXDJMD-XNTDXEJSSA-N 349.419 1.827 10 40 EDCB COc1ccc(N2CCN(CC(=O)Nc3nnc(C)s3)CC2)cc1 20427252 MNMNXYUJQVBAIE-UHFFFAOYSA-N 347.444 1.616 10 40 EDCB COc1ccc(/C=C2/SC(=S)NC2=O)c(C(=O)O)c1OC 6454033 ABFKQQHYYWGLCF-VMPITWQZSA-N 325.367 1.891 10 40 EDCB CCn1cnnc1CNC(=O)N1CCN(c2ccc(OC)cc2)CC1 65401502 DWSPLOQCPLVZNH-UHFFFAOYSA-N 344.419 1.338 10 40 EDCB COc1ccc(N2CCN(CN3CC(=O)N(C(C)C)C3=O)CC2)cc1 65603797 BWQQPBVMPLENKJ-UHFFFAOYSA-N 346.431 1.447 10 40 EDCB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(O)c(O)c1 19419197 BZUNEZBJEMJWQV-UHFFFAOYSA-N 333.340 1.679 10 40 EDCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(F)c1 13653989 GLGPLMMGQCXRKY-HRYODUOUSA-N 337.376 1.527 10 40 EDCB O=C([C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1)N1CCOCC1 40490055 PBTBICOWFJDWQL-ZDUSSCGKSA-N 348.399 1.192 10 40 EDCB Cc1ccc(N2C(=O)/C(=C\NCCN(C)C)C(=O)N=C2S)cc1 102523387 PCIPNQUNKHCIPP-RAXLEYEMSA-N 332.429 1.189 10 40 EDCB O=C1/C(=C/c2ccccc2)SC(=S)N1CCS(=O)(=O)O 4291519 KTGBRADVNKOKNM-NTMALXAHSA-N 329.424 1.776 10 40 EDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(O)cc1 9265682 WEEPMNUFPVMWRC-JYRVWZFOSA-N 327.296 1.560 10 40 EDCB Cc1cccc(N2C(=O)/C(=C/NCCCN(C)C)C(=O)NC2=S)c1 19997471 KQSOPKVKWKTFAM-SDNWHVSQSA-N 346.456 1.168 10 40 EDCB COCc1cc(CC2(NCc3ccc(N(C)C)cc3)COC2)no1 67897964 YNPQEDHAVATPOH-UHFFFAOYSA-N 331.416 1.988 10 40 EDCB biogenic,in-vitro COCCN1C(=O)/C(=C\c2cccc(OC)c2O)C(C(=O)OC)=C1C 2302017 MXWCYRFNKMQVLC-RAXLEYEMSA-N 347.367 1.720 10 40 EDCB O=C1NC(=S)NC(=O)C1=CNc1ccccc1Br 5687404 PLMRVJGYZZUWRX-UHFFFAOYSA-N 326.175 1.276 10 40 EDCB CCN1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 5823049 SHZKKRZMDWXRSU-SDNWHVSQSA-N 329.356 1.005 10 40 EDCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1F 13548575 DJIBRMIVHNHIHC-LCFDYFRESA-N 337.376 1.527 10 40 EDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1cccc(F)c1 408547010 BWFCUNJJTXGQFQ-JYRVWZFOSA-N 329.287 1.993 10 40 EDCB N[C@@H]1CCCC[C@@H]1N/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 138631581 VMNVYGXDZFTPSS-XQPOUDKPSA-N 344.440 1.178 10 40 EDCB COc1ccc(N2CCN(CCNC(=O)c3ccco3)CC2)cc1 11899974 TZDDTYDXQMJUQI-UHFFFAOYSA-N 329.400 1.840 10 40 EDCB CN(C)c1ccc(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1F 58344146 FKNZVCFFCRWDHW-GFCCVEGCSA-N 343.424 1.126 10 40 EDCB CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(N(C)C)cc1 1432462 PZTGHTLHBKIEFW-ZIAGYGMSSA-N 347.444 1.975 10 40 EDCB Cc1ccc(N/C=C2\C(=O)NC(=O)N(C[C@H]3CCCO3)C2=O)cc1 17989083 VZPOWFYXILELHY-OZYJXZHSSA-N 329.356 1.548 10 40 EDCB Cc1n[nH]c(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c1-c1ccccc1 18154728 QGNHYAGRDGPFIP-UHFFFAOYSA-N 339.355 1.731 10 40 EDCB aggregator CN(CCN1CCOCC1)C(=O)NCc1ccc2c(c1)CCCN2C 72274284 HBSFMAUAQFSXPM-UHFFFAOYSA-N 346.475 1.543 10 40 EDCB O=C(CCNCc1ccc(N2CCOCC2)c(F)c1)N1CCCC1 66970223 FNHZKUPKKBZGFT-UHFFFAOYSA-N 335.423 1.764 10 40 EDCB CN1C(=O)/C(=C/c2cc(Br)cs2)C(=O)NC1=S 408912031 PPWLLPPIOGRCDC-XVNBXDOJSA-N 331.216 1.767 10 40 EDCB CCCC[C@@H](CC)COCCCN/C=C1/C(=O)NC(=O)N(C)C1=O 95346043 VMUVSQZZGKOPIM-KECPUOCWSA-N 339.436 1.791 10 40 EDCB CN1CCCc2cc([C@H](CNC(=O)C3CC3)N3CCOCC3)ccc21 13008305 JLAJLNFPRJXCBG-IBGZPJMESA-N 343.471 1.969 10 40 EDCB COc1ccc(N2CCN(c3cc(=O)n4oc(C)cc4n3)CC2)cc1 6590231 LITTWLKPPDHWKA-UHFFFAOYSA-N 340.383 1.931 10 40 EDCB Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O 1236034 OHDSQTULPMWOPD-UHFFFAOYSA-N 325.320 1.836 10 40 EDCB CN1CCCc2cc(/C=C/C(=O)Nc3cnn(CC(N)=O)c3)ccc21 61401838 LTXXISZTJVJFHW-FNORWQNLSA-N 339.399 1.403 10 40 EDCB Cc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)o1 4356941 FFMXTRJXIVZHPN-DHFUWRPHSA-N 341.366 1.717 10 40 EDCB CC1(C)Nc2ccccc2C2=C1SC(=C(C(N)=O)C(N)=O)C2=S 5482174 WWPUDNZXIJOWOX-UHFFFAOYSA-N 345.449 1.943 10 40 EDCB CC(=O)N1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 89937502 RSFHVAOIEDKVNQ-KXBFYZLASA-N 331.460 1.870 10 40 EDCB COc1ccc(N2CCN[C@H](C(=O)NCC3(O)CCCCC3)C2)cc1 257238011 HJFAVJZNANKYNJ-KRWDZBQOSA-N 347.459 1.285 10 40 EDCB CNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 13551979 AFKHBFFIVZJARR-YFHOEESVSA-N 346.437 1.876 10 40 EDCB CC(C)N(C)CCNC(=O)NCc1ccc(N2CCOCC2)cc1 65592753 XCFNCSAPKOMRTL-UHFFFAOYSA-N 334.464 1.663 10 40 EDCB CN1/C(=C\C=C\C=C2C(=O)NC(=O)NC2=O)Sc2ccccc21 5738103 ANEVNZIIBWGVKU-YAJGUJQZSA-N 327.365 1.919 10 40 EDCB C[C@@H](NC(=O)N[C@@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1 69841208 IZVGTBITNSDOJZ-CZUORRHYSA-N 346.431 1.162 10 40 EDCB COc1ccc(N2CCN[C@@H](C(=O)NCC3CCOCC3)C2)cc1 257301951 SASHZXLCJJUBRN-QGZVFWFLSA-N 333.432 1.016 10 40 EDCB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(Cc2ccc(F)cc2O)C1 2055771685 QTGHBGLGWULLGW-GOSISDBHSA-N 346.406 1.807 10 40 EDCB CC(=O)N1[C@H](C(=O)N2CCOCC2)CS[C@@H]1c1ccccc1O 27118120 KZEGRPAHBAPEJL-XJKSGUPXSA-N 336.413 1.214 10 40 EDCB O=C1NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)[nH]2)C(=O)N1 5234465 NJMSQGVJYLOPSZ-UHFFFAOYSA-N 326.268 1.339 10 40 EDCB Cc1ncc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)s1 71886004 RTBDXBYVRPYBQQ-UHFFFAOYSA-N 341.414 1.459 10 40 EDCB CCN(CC)c1ccc(CNC(=O)CN(C)S(C)(=O)=O)cc1F 66841027 UYKXVIZJPXERFN-UHFFFAOYSA-N 345.440 1.180 10 40 EDCB O=C1NC(=S)NC(=O)C1=CNc1ccc(Br)cc1F 17149721 DMMZAYJGWRXRBQ-UHFFFAOYSA-N 344.165 1.415 10 40 EDCB Cn1cccc1/C=C1\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C1=O 5219768 ATTLQCXMUVMLOD-HXOPTJOXSA-N 340.382 1.154 10 40 EDCB COc1ccnc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 54124384 DEDFERJWOFSTPA-CQSZACIVSA-N 341.415 1.799 10 40 EDCB Cc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)o1 20206077 QHAXIIXRXNXAQG-GQGQYVCHSA-N 338.370 1.209 10 40 EDCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)o1 12462480 VULXEAWBUOZGKS-MDWZMJQESA-N 340.291 1.953 10 40 EDCB CCCS(=O)(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O 95459880 KVGGJOIRFDXMFB-UHFFFAOYSA-N 335.809 1.760 10 40 EDCB COc1ccc(N2CCN(S(=O)(=O)c3ccccc3N)CC2)cc1 256054745 XPGJNPFIAZBEQH-UHFFFAOYSA-N 347.440 1.788 10 40 EDCB Cc1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)no1 55916075 RZWGMLKMANFANA-AWEZNQCLSA-N 342.399 1.615 10 40 EDCB CCN1CCN(C(=O)C2CCN(Cc3ccccc3O)CC2)CC1 785860 AGULNZOVHPGRQH-UHFFFAOYSA-N 331.460 1.768 10 40 EDCB CN1N[C@@H](c2ccccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 101130158 KJRVQVYKOJDMLE-IKGGRYGDSA-N 337.379 1.437 10 40 EDCB CN(C)C(=O)C1(n2ccnc2)CCN(Cc2ccc(F)cc2O)CC1 2055704348 SAOWPOQJRSZHCG-UHFFFAOYSA-N 346.406 1.807 10 40 EDCB COc1ccc(N2CCN[C@H](C(=O)NCCc3ccccn3)C2)cc1 257287597 PQQHVWIACJWOQJ-SFHVURJKSA-N 340.427 1.227 10 40 EDCB CCCCCCN1C(=O)NC(=O)/C(=C\N[C@@H]2CCCC[C@@H]2N)C1=O 20292138 MIKUAYLWFXGCHG-CYUAOAIUSA-N 336.436 1.389 10 40 EDCB Nc1c(S(=O)(=O)O)cc2c(c1Cl)C(=O)c1ccccc1C2=O 4792017 YXXFAVGMCDRHPK-UHFFFAOYSA-N 337.740 1.944 10 40 EDCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccn2)SC1=S 5478207 RLHIQOSZYUOTEZ-HXOPTJOXSA-N 338.366 1.211 10 40 EDCB O=C(CSc1nnnn1Cc1ccco1)c1ccc(O)c(O)c1 11307679 QROYTLYWEPDGME-UHFFFAOYSA-N 332.341 1.701 10 40 EDCB O=C(O)COc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1 9189335 VCCIANJSXTZBQI-LCYFTJDESA-N 348.380 1.453 10 40 EDCB O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(=O)[nH]c1 54035496 OMLXVPJJDBBZNR-UHFFFAOYSA-N 329.425 1.858 10 40 EDCB COc1ccccc1N1C(=O)N=C(O)/C(=C/NCCCN(C)C)C1=O 102710470 NISMDNVYFSLBGG-QXMHVHEDSA-N 346.387 1.544 10 40 EDCB O=C1C(=O)[C@@H]([C@H]2C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 231401870 HWZMMHFVOCAUNC-OKILXGFUSA-N 346.294 1.515 10 40 EDCB CCN1C(=O)/C(=C\Nc2ccc(NC(C)=O)cc2)C(=O)NC1=S 101362411 MSZOBRUXTALURC-WQLSENKSSA-N 332.385 1.204 10 40 EDCB COCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(C(=O)OC)=C1C 408976178 QBGLNRIHKFJFOD-LCYFTJDESA-N 347.367 1.720 10 40 EDCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CC3)N(C)C)ccc21 9135419 UTVGVXAQQVCEDE-KRWDZBQOSA-N 344.459 1.067 10 40 EDCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/N1CCc2ccccc21 102569997 KZZVESONJTZCJX-GWQWUEFDSA-N 345.424 1.338 10 40 EDCB NC1=C(C(=O)/N=N/C(=O)CSc2ccc(Cl)cc2)NC=CN1 102653953 BSTARSPUYNDHRA-VHEBQXMUSA-N 337.792 1.729 10 40 EDCB Cc1ccccc1-n1c(C)cc(C(=O)NCCS(N)(=O)=O)c1C 58294551 YENCSTHHEJHDQB-UHFFFAOYSA-N 335.429 1.421 10 40 EDCB O=C1/C(=C/c2cccnc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 4807165 SPNNEPQLTTUSOV-OYUORYAFSA-N 340.451 1.470 10 40 EDCB [N-]=[N+]=NCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 1529008733 SWODDJWJUGOAQB-CKYFFXLPSA-N 326.426 1.529 10 40 EDCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)NS(C)(=O)=O)cc1F 66931663 KHPMHSUGJBMIIV-LLVKDONJSA-N 345.440 1.226 10 40 EDCB CN1C(=O)C(=Cc2cccn2-c2ccc(O)cc2)C(=O)N(C)C1=S 408963220 YAHDOWGVILGZER-UHFFFAOYSA-N 341.392 1.782 10 40 EDCB O=C(CN1CCN(Cc2c(O)ccc3ccccc23)CC1)NC1CC1 22775233 IRITUDHBRZXZRQ-UHFFFAOYSA-N 339.439 1.942 10 40 EDCB CCN(CC)CCN/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 101362327 KJHNBYBPLKUVEH-WYMLVPIESA-N 330.388 1.085 10 40 EDCB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)C=[N+]=[N-])cc1 5729326 LWSKHADWAXKHKB-UHFFFAOYSA-N 331.353 1.979 10 40 EDCB O=C1NC(=O)C(=Cc2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1 6240422 VMLTZXHDCPIXND-UHFFFAOYSA-N 340.089 1.107 10 40 EDCB CN1CCN(C2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)CC1 20028160 DINBYPRHMZUBNP-NTEUORMPSA-N 331.397 1.633 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccoc3)cc2)C1 55916831 GDGYZDRBPKBQET-CQSZACIVSA-N 327.384 1.911 10 40 EDCB CCOC(=O)C1=C(C)NC(NC#N)=N[C@@H]1c1ccc(N(C)C)cc1 6026524 JSYCSKCRLBAXQN-OAHLLOKOSA-N 327.388 1.661 10 40 EDCB CC(=O)N(C)c1ccc(/N=N/[C@H]2C(=O)N(C(N)=S)N=C2C)cc1 100524799 QZKUTISYFKZPGN-QIVXWBPLSA-N 332.389 1.583 10 40 EDCB O=C1COc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc2N1 4411722 FQEOLOAHUCTKHC-UHFFFAOYSA-N 348.336 1.547 10 40 EDCB CCN(Cc1ccc(N(C)C)cc1)C(=O)CCSc1nnnn1C 58313114 HUNQRJUACRXTKC-UHFFFAOYSA-N 348.476 1.807 10 40 EDCB O=C1C(=O)[C@H]([C@H]2C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 231401892 HWZMMHFVOCAUNC-ZIAGYGMSSA-N 346.294 1.515 10 40 EDCB CCCCCCN1C(=O)N=C(O)/C(=C\NN2CCN(C)CC2)C1=O 20291019 PJDHEOQLXWXISM-OUKQBFOZSA-N 337.424 1.121 10 40 EDCB COc1ccc(N2CCN([C@@H]3CC(=O)N(C4CC4)C3=O)CC2)cc1 102573542 IWHVCYTZSYQQPO-MRXNPFEDSA-N 329.400 1.107 10 40 EDCB COc1ccc2occ(/C=C/C=C3/C(=O)NC(=O)N=C3O)c(=O)c2c1 18033104 ATAYEOXWPXMTLC-NSCUHMNNSA-N 340.291 1.948 10 40 EDCB CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C 69593506 PRBTWWWCLMYWTM-MRXNPFEDSA-N 347.484 1.997 10 40 EDCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OC 96193612 FTWOYCBOYGDBBB-UHFFFAOYSA-N 340.788 1.662 10 40 EDCB CN1C(=O)C(=Cc2csc(Br)c2)C(=O)N(C)C1=O 32789504 FUZCQCXHBYSLFJ-UHFFFAOYSA-N 329.175 1.944 10 40 EDCB CC[C@@H](C)N1C(=O)/C(=C\NCCc2ccccc2)C(=O)NC1=S 101045274 NXNWSJHQKTZZRU-POKNLVKOSA-N 331.441 1.744 10 40 EDCB CCN1C(=O)C(=Cc2ccc(O)c(OC)c2)C(=O)N(CC)C1=S 5715875 OBSKPIORXRLCNC-UHFFFAOYSA-N 334.397 1.780 10 40 EDCB CC1=NN(C(=O)COc2ccc(N(C)C)cc2)[C@@](O)(C(F)(F)F)C1 6386207 YBWLFULEVNMMRI-AWEZNQCLSA-N 345.321 1.991 10 40 EDCB Cc1cccc(N2C(=O)NC(=O)/C(=C/NC[C@@H]3CCCO3)C2=O)c1C 5752398 AGFJDUYYJSFBNR-ODUNQGDFSA-N 343.383 1.539 10 40 EDCB CN1C(=O)C(=CNc2ccnn2C2CCCCC2)C(=O)N(C)C1=O 5966233 MHYRMKXYZWEFPZ-UHFFFAOYSA-N 331.376 1.735 10 40 EDCB CCc1ccc(/C=C2\SC(=S)N([C@H](CO)C(=O)O)C2=O)cc1 5373529 IJKDBYOZWNOADC-HBZGRHIISA-N 337.422 1.896 10 40 EDCB CCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 5340672 RKHVKISOPBLZEX-KRWDZBQOSA-N 346.475 1.532 10 40 EDCB COc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 1351972 KUUHOASXPGSDRH-UHFFFAOYSA-N 336.399 1.998 10 40 EDCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/NCCCn1ccnc1 20025235 ZLINESVSLKCBFH-SDNWHVSQSA-N 339.355 1.030 10 40 EDCB COc1cccc(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)c1 101477711 QUEHSCSKTAWFJV-GULXKOIASA-N 349.412 1.396 10 40 EDCB O=C(NC[C@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)c1ccccc1 77264332 CHXPGTYUMAFSIP-NXHRZFHOSA-N 342.395 1.040 10 40 EDCB biogenic,in-vitro CC1(C)[C@H]2CC[C@@]1(C(=O)NCc1ccc3c(c1)OCO3)C(=O)C2=O 100261982 ATONOOOBPWOSFD-VOJFVSQTSA-N 329.352 1.606 10 40 EDCB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccccc1O 1441653 HCRRTQNOVXIKJR-CQSZACIVSA-N 333.369 1.423 10 40 EDCB COc1ccccc1N1CCN(/C=C2/SC(=S)NC2=O)CC1 4335217 NXTHVCNHSJTLEO-JLHYYAGUSA-N 335.454 1.807 10 40 EDCB CN1C(=O)/C(=C/c2ccc(C(=O)NCC(=O)O)cc2)SC1=S 4942290 BJAZPEKTPJYSNC-POHAHGRESA-N 336.394 1.332 10 40 EDCB O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C\NCCCO 102536729 JFHPVVJDBYJKSR-QBFSEMIESA-N 337.445 1.387 10 40 EDCB COc1ccnc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 54124383 DEDFERJWOFSTPA-AWEZNQCLSA-N 341.415 1.799 10 40 EDCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccn2)SC1=S 5478208 RLHIQOSZYUOTEZ-CPJBWDMUSA-N 338.366 1.211 10 40 EDCB COc1cc(Br)cc(/C=C2/C(=O)NC(=O)N=C2O)c1O 6904336 JFIGJSCSFWYIQY-UHFFFAOYSA-N 341.117 1.753 10 40 EDCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cccnc1 4935004 JCHZYEUHFXNMMT-VGOFMYFVSA-N 340.339 1.466 10 40 EDCB COC(=O)CN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 1277242 BSYCWQHVVKRWOF-QXMHVHEDSA-N 348.405 1.407 10 40 EDCB CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 4575416 PEVZMZIOLKXJNJ-MBIARJLFSA-N 334.332 1.001 10 40 EDCB CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O 77263889 ODLYOTISWVXGFR-UNEWFSDZSA-N 336.432 1.163 10 40 EDCB biogenic,in-vitro CCN(CC)CCN/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 2246610 BYEIAFSOLOTPJA-NTCAYCPXSA-N 344.415 1.393 10 40 EDCB CCOC(=O)c1cc(NC(=O)NCc2c(O)cccc2O)cn1C 1615001854 CALUDJVVALASCN-UHFFFAOYSA-N 333.344 1.935 10 40 EDCB COc1cccc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1OC(C)C 4616123 BAOPPDSORDUKTQ-DHZHZOJOSA-N 334.397 1.739 10 40 EDCB CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(N(C)C)cc1 1432465 PZTGHTLHBKIEFW-KBPBESRZSA-N 347.444 1.975 10 40 EDCB COC(=O)c1ccc(C(=O)OC)c2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21 105833803 GOJPJRTVUUKVBZ-FZNYLWTLSA-N 331.324 1.798 10 40 EDCB CN(Cc1ccc(N2CCOCC2)cc1)Cn1ncn(C)c1=S 14215482 CKWNSFBWXGEZDY-UHFFFAOYSA-N 333.461 1.877 10 40 EDCB CN1C(=O)C(=CNCCc2c[nH]c3ccccc23)C(=O)N(C)C1=S 6208780 LEOZXKGZJAZOBG-UHFFFAOYSA-N 342.424 1.399 10 40 EDCB Cn1c(=O)c2[nH]c(/N=N/Nc3cccc(Cl)c3)nc2n(C)c1=O 4478089 QWNBINZKTOUVMX-UHFFFAOYSA-N 333.739 1.725 10 40 EDCB COc1ccc(N2CCC(NC(=O)NCCn3ccnc3)CC2)cc1 69847353 JGXCPHDNWPPMSO-UHFFFAOYSA-N 343.431 1.860 10 40 EDCB O=C1/C(=C\c2ccncc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 5987040 PHPRQMHXHIMMIV-UEUZTHOGSA-N 340.451 1.470 10 40 EDCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 408953194 PAGUEZJMANBFIR-KPKJPENVSA-N 340.291 1.983 10 40 EDCB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(N2CCOCC2)cc1 19575247 MIEOHUNGRBBVQZ-ATZDWAIDSA-N 331.460 1.163 10 40 EDCB COc1cc(/C=C2\SC(=S)N(N)C2=O)cc(OC)c1OC 5552572 RLRZKGRQYONPEG-POHAHGRESA-N 326.399 1.787 10 40 EDCB CN1C(=O)C(=CNc2ccc3oc(=O)ccc3c2)C(=O)N(C)C1=O 9061089 HEGVHEHPWJKQTB-UHFFFAOYSA-N 327.296 1.139 10 40 EDCB O=C(O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 408592206 LQRMEKRLTZOBNH-RIYZIHGNSA-N 347.346 1.793 10 40 EDCB COc1ccc(-n2nnnc2COc2ccc(C(=O)O)cc2)cc1 9576257 PXVPKOUJTFDRER-UHFFFAOYSA-N 326.312 1.948 10 40 EDCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(N2CCOCC2)o1 319855 YGIRYFFYXVXFBS-UHFFFAOYSA-N 333.340 1.870 10 40 EDCB COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@@H](CO)[C@H](CO)C2 14435203 GQLVRVYXAHDDLB-PJFSTRORSA-N 346.379 1.717 10 40 EDCB biogenic,in-vitro CC(C)c1ccc(N2C(=O)/C(=C\NNCCO)C(O)=NC2=S)cc1 38160466 PVZKIXMFCNECJY-LCYFTJDESA-N 348.428 1.368 10 40 EDCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc2c1OCO2 33656241 TURCYXYDMHYGCP-QPEQYQDCSA-N 338.319 1.885 10 40 EDCB O=C(CNc1c2ccccc2nc2ccccc12)N[C@H](CO)C(=O)O 3892255 UETXQKLCCIKIFL-OAHLLOKOSA-N 339.351 1.362 10 40 EDCB O=C(O)CN1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 6660675 OQAUJSHMBYTJQC-POHAHGRESA-N 331.378 1.916 10 40 EDCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NC[C@H]1CCCO1 5829779 CMKBJZFOQVSMLE-QAALXFNPSA-N 347.415 1.608 10 40 EDCB COc1ccc(N2CCN(CC(=O)NCc3cccnc3)CC2)cc1 34685223 INMNGDWVIHXNOI-UHFFFAOYSA-N 340.427 1.529 10 40 EDCB CCCCN1C(=O)/C(=C/NCCCN(CC)CC)C(=O)NC1=S 20290597 NOXICRQEEMCLRB-OUKQBFOZSA-N 340.493 1.235 10 40 EDCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(C)cc1 9423022 XCRZQBPOFUUIFM-UWZYDCLUSA-N 333.413 1.696 10 40 EDCB Cc1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)c(O)c1 31421340 ORTWXTOCVULPQH-UHFFFAOYSA-N 339.395 1.567 10 40 EDCB CN(C)c1ccc(N/C=C2\C(=O)NC(=S)N(C3CC3)C2=O)cc1 5100935 IAZWQWGLPITWNJ-UKTHLTGXSA-N 330.413 1.454 10 40 EDCB CC(=O)N1CCN(C(=O)/C=C/c2ccc3c(c2)CCCN3C)CC1 61341739 MTJAZHWRGUZDTO-SOFGYWHQSA-N 327.428 1.773 10 40 EDCB CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2O)C(=O)N(CC)C1=S 16681450 ZJLSXIZMGUHSCA-UHFFFAOYSA-N 349.368 1.679 10 40 EDCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccco2)SC1=S 19891108 JCEUAIVUPQJNHL-OJKBXMANSA-N 327.339 1.409 10 40 EDCB CCOc1ccc(/C=C2\C(=O)N(c3nnn[nH]3)N=C2C)cc1OC 33338454 PDBKWJJTDAHEQZ-XFFZJAGNSA-N 328.332 1.413 10 40 EDCB CS(=O)(=O)[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 252509778 YVESSMPNCDRVDP-SNVBAGLBSA-N 349.503 1.454 10 40 EDCB CNC(=O)[C@@H]1CN(c2ccc(OC)cc2)CCN1c1ccnc(C)n1 257235692 GYYDOXZREXRZRU-INIZCTEOSA-N 341.415 1.235 10 40 EDCB COC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1ccc(O)c(O)c1 8843422 WXDKEJZOVUZUPZ-GFCCVEGCSA-N 348.384 1.873 10 40 EDCB COc1ccccc1N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 107902807 PQIHFRSOVFFQRZ-XFXZXTDPSA-N 341.323 1.863 10 40 EDCB C[C@H](NC(=O)N1CC[C@@H](C(N)=O)C1)c1ccc(N2CCOCC2)cc1 71831078 NZTQQAIIDUKWAU-DZGCQCFKSA-N 346.431 1.101 10 40 EDCB Cn1cccc1/C=C1/SC(=S)N(CCS(=O)(=O)O)C1=O 4291552 OFAHVLTZMFUOFP-VQHVLOKHSA-N 332.428 1.114 10 40 EDCB c1cc2c(cc1N1CCC(NCCN3CCOCC3)CC1)OCO2 19346167 POMLTIUDZWUOGS-UHFFFAOYSA-N 333.432 1.306 10 40 EDCB CN/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 6796656 ZUKWPSLHTZNAJQ-TWGQIWQCSA-N 338.161 1.444 10 40 EDCB CN(C)c1ccc(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1F 58344145 FKNZVCFFCRWDHW-LBPRGKRZSA-N 343.424 1.126 10 40 EDCB Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)NC(N)=O)sc2n1 10645102 IWWFGVCUTAFQPN-SSDOTTSWSA-N 336.373 1.236 10 40 EDCB CN(C)c1ccc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 8172318 FCHPPWWMQQIVQM-CQSZACIVSA-N 342.486 1.289 10 40 EDCB NS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cccnc1)CC2 75141430 SHNAQGITXXIEMV-ZZXKWVIFSA-N 329.381 1.332 10 40 EDCB COC(=O)CN(CC(=O)NCC(C)C)Cc1cc(Cl)ccc1O 69950404 CLDAZHLDQBNMFM-UHFFFAOYSA-N 342.823 1.793 10 40 EDCB COc1ccc2c(c1OC)C(=O)O[C@@H]2NN1C(=O)CSC1=S 5375368 RGYWQBFNNZTFAB-NSHDSACASA-N 340.382 1.238 10 40 EDCB Cc1cc(N2CCOCC2)ccc1CN1C[C@H]2C[C@@H](O)CN2C[C@H]1C 19570613 STXRSMVVOYRBTR-NSISKUIASA-N 345.487 1.471 10 40 EDCB CN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 44971798 YBQJIBGOMOXGMN-HNNXBMFYSA-N 341.415 1.993 10 40 EDCB O=C(Nc1ccccc1)c1cnn2c(O)cc(Cn3cccn3)nc12 19372999 XFPALGPDMXFUPY-UHFFFAOYSA-N 334.339 1.932 10 40 EDCB CN(C)c1cccc(N/C=C2\C(=O)N=C(S)N(C3CC3)C2=O)c1 102624902 NQOVBVIUKACVJY-UKTHLTGXSA-N 330.413 1.865 10 40 EDCB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc2c(cc1O)OCO2 96993519 SXYGJIPMKGMCKE-HNNXBMFYSA-N 340.379 1.794 10 40 EDCB COc1ccc(N2CCN(C(=O)Cn3nc(C)cc3C)CC2)cc1 27982502 JHGXVQJASSQNRF-UHFFFAOYSA-N 328.416 1.857 10 40 EDCB O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1CCS(=O)(=O)O 27533459 FGOYKFTUYINFAO-JXMROGBWSA-N 345.423 1.481 10 40 EDCB COc1ccc(-n2c(C)cc(C(=O)N3CCNC(=O)C3)c2C)cc1 72903752 ISFVKNGGUIJHKL-UHFFFAOYSA-N 327.384 1.675 10 40 EDCB CN1N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 170621060 LUAULCKNWSNUHE-HRCADAONSA-N 329.400 1.570 10 40 EDCB O=C1NC(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/Nc1ccccc1Cl 9356201 WHMKZDCNZZHVDS-MXBGMFSPSA-N 349.774 1.893 10 40 EDCB Cc1cccc(N2C(=O)NC(=O)/C(=C\NCCCN(C)C)C2=O)c1 19996022 FFNVRFRNYKXXEL-SDNWHVSQSA-N 330.388 1.003 10 40 EDCB O=C1/C(=C/c2ccccn2)SC(=S)N1CCS(=O)(=O)O 5520143 PMVJXTXBPXBYHD-CLFYSBASSA-N 330.412 1.171 10 40 EDCB COCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 57413282 QMTPRBHFZXOEKF-CHWSQXEVSA-N 339.411 1.885 10 40 EDCB CC(=O)Oc1cc(C(=O)O)cc2c1C(=O)c1c(O)cccc1C2=O 38441545 FRIXMWPJYKVOCV-UHFFFAOYSA-N 326.260 1.791 10 40 EDCB in-vitro Cc1ccc(C2=NN(/C=C3\SC(=S)NC3=O)[C@@H](C(=O)O)C2)cc1 256028136 VHWKRVNWQAENAG-HBZGRHIISA-N 347.421 1.847 10 40 EDCB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(N(C)C)cc1 190151 VLVGXOFAZVUGQS-AWEZNQCLSA-N 328.376 1.591 10 40 EDCB CN(C)c1ccc(CNC(=O)Cn2c(=O)cnc3ccccc32)cc1 8724880 FGDRVXPLHPJYGE-UHFFFAOYSA-N 336.395 1.779 10 40 EDCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(C)cc1 9423023 XCRZQBPOFUUIFM-AHSSXEFNSA-N 333.413 1.696 10 40 EDCB O=C1CN(c2ccc(CNC(=O)c3cc(C4CC4)[nH]n3)cc2)CCN1 29470523 OLTJDEYOLIYUOJ-UHFFFAOYSA-N 339.399 1.153 10 40 EDCB O=C1NC(=O)C(=CNc2ccccc2C(=O)c2ccccc2)C(=O)N1 2710352 LUDMXULVNMAIGZ-UHFFFAOYSA-N 335.319 1.579 10 40 EDCB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(OC)c1 408590417 GSUVWJOLEIBHCW-MDWZMJQESA-N 347.371 1.519 10 40 EDCB COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccoc3)C2=O)cc1 4807744 ACSWDMVGOCPGIW-ZSOIEALJSA-N 326.308 1.950 10 40 EDCB CCCN1C(=O)/C(=C/N(CC)[C@H]2CCS(=O)(=O)C2)SC1=S 9484249 FFIMSQJSMHTEDD-DFYQSJSGSA-N 348.515 1.607 10 40 EDCB CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc(F)cc2)c1 55107560 UMECEIDAMVXADU-UHFFFAOYSA-N 338.360 1.833 10 40 EDCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nccnc1N 10308304 NDMRZTNGBZZMLQ-UHFFFAOYSA-N 327.388 1.168 10 40 EDCB CN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)OCC(F)(F)F 65576400 QGHSWCWMMMOZDB-UHFFFAOYSA-N 347.337 2.000 10 40 EDCB COc1ccc(N2CCOCC2)cc1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C 71286727 MHPSFYISRVPFCX-HUUCEWRRSA-N 348.399 1.827 10 40 EDCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(OC)c1OC 3079580 FVGMQGNCYOSEJJ-UHFFFAOYSA-N 334.328 1.146 10 40 EDCB CCc1ccc(/C=C2\SC(N3CCN(CCO)CC3)=NC2=O)cc1 9189184 NLWHOZRNQDWOBO-SSZFMOIBSA-N 345.468 1.829 10 40 EDCB COc1ccc(N2CCCN(C(=O)c3nccnc3N)CC2)cc1 65523865 UVGNEOSGNVWCJY-UHFFFAOYSA-N 327.388 1.420 10 40 EDCB O=C(COC(=O)c1cc(O)cs1)NC(=O)NCc1cccs1 69738286 KKYNCTMFDQWQAB-UHFFFAOYSA-N 340.382 1.698 10 40 EDCB CC(=O)N(C)c1ccc(/N=N/[C@@H]2C(=O)N(C(N)=S)N=C2C)cc1 13543936 QZKUTISYFKZPGN-ZFHSLQLHSA-N 332.389 1.583 10 40 EDCB Cc1ccc(C)n1-c1ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1 2427113 BSQOYIFUHVLHIP-UHFFFAOYSA-N 335.367 1.588 10 40 EDCB O=C(O)CN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S 3532605 CCTWEMKRVCWJJX-IZZDOVSWSA-N 337.378 1.744 10 40 EDCB COC(=O)CN1C(=O)/C(=C2/C(=O)Nc3c(C)cccc32)SC1=S 1281906 IEKBZEZMFNGXLK-BENRWUELSA-N 348.405 1.692 10 40 EDCB CCCCN1C(=O)/C(=C\NCCCn2ccnc2)C(=O)N=C1S 103092892 KLOFXXRYQFIQFO-BENRWUELSA-N 335.433 1.201 10 40 EDCB CCOC(=O)[C@@H]1[C@@H](c2ccccc2O)NC(=O)N[C@@]1(O)C(F)(F)F 13133155 DMBBIGPNGBWBPX-CWSCBRNRSA-N 348.277 1.176 10 40 EDCB CN1CCCc2cc(/C=C/C(=O)OCC(=O)N3CCCC3=O)ccc21 64184112 BTGXMMDKQRXXMS-VQHVLOKHSA-N 342.395 1.774 10 40 EDCB CC[C@@H](C)N1C(=O)/C(=C/NNCCN(CC)CC)C(O)=NC1=S 20358390 JPVIHZOGKHRJOQ-KPMWUXBGSA-N 341.481 1.188 10 40 EDCB CCN(C)c1ccc(CNS(=O)(=O)c2cnn(C)c2)cc1F 71921631 QYCHTHACAGSTHM-UHFFFAOYSA-N 326.397 1.494 10 40 EDCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC1CC1 4999634 AAMCNXOAJLWMSC-BOPFTXTBSA-N 343.383 1.987 10 40 EDCB CC[C@H](C)N1C(=O)/C(=C/Nc2cccc(C(=O)O)c2)C(=O)NC1=S 9358738 WLIXYTUYCDWULI-KWINOFQJSA-N 347.396 1.722 10 40 EDCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374610 FPTNLNSNSQCOCA-OJKBXMANSA-N 326.355 1.144 10 40 EDCB Cc1cc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)no1 32534659 GFSKLLIQMKVRKO-UHFFFAOYSA-N 342.355 1.824 10 40 EDCB O=C1CN(c2ccc(CNc3ncccc3[N+](=O)[O-])cc2)CCN1 32923724 ASTUXTGTTVSCTK-UHFFFAOYSA-N 327.344 1.538 10 40 EDCB Nc1ccc(CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575420909 KYVQVRUSSCXXHR-QZTJIDSGSA-N 346.452 1.429 10 40 EDCB CC(=O)NCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 43141110 RXKFNHPGXATLQH-OAHLLOKOSA-N 335.404 1.219 10 40 EDCB O=C1/C(=C/c2ccco2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 4159914 GXKQTSQNBJJWKH-KZSPTFSBSA-N 329.424 1.668 10 40 EDCB Cc1n[nH]cc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 97159383 NSPAWENAHOEGIP-OAHLLOKOSA-N 327.432 1.710 10 40 EDCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(C)C1=O)OCO2 15012202 OMSYOVUUYGZUKI-RUDMXATFSA-N 334.353 1.071 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)n[nH]c3C)C2=O)cc1 408756746 JFLRIISGKROVEM-MDWZMJQESA-N 339.355 1.914 10 40 EDCB CCN(CC)C(=O)CNC(=O)NCc1ccc2c(c1)CCCN2C 58363613 QTPCYZLDPZYXEA-UHFFFAOYSA-N 332.448 1.737 10 40 EDCB COc1ccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc1O 19808635 YIHPBSRHIFWERS-UVTDQMKNSA-N 333.413 1.619 10 40 EDCB CCN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)NC1=S 409390421 CYVAXMWCVGRDPL-GXDHUFHOSA-N 341.392 1.830 10 40 EDCB Cc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 20205735 RHPMLZGTJACOTA-DDADGOEASA-N 348.409 1.616 10 40 EDCB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1O 484814 DWOHHYWRHYMNNZ-LLVKDONJSA-N 341.161 1.956 10 40 EDCB CCN1C(=O)/C(=C/c2c(NC)nc3ccccn3c2=O)SC1=S 1252730 DIICFIHTWDUHKX-NTMALXAHSA-N 346.437 1.957 10 40 EDCB CN(C)Cc1c(O)c(CN(C)C)c2oc(=O)c3c(c2c1O)CCC3 20111241 ZMQBGJVGCQADJC-UHFFFAOYSA-N 332.400 1.816 10 40 EDCB biogenic CN(C)CCCN/C=C1\C(=O)N(C)C(=S)N(c2ccccc2)C1=O 19994538 QHXQZBWDGIOPHK-WYMLVPIESA-N 346.456 1.202 10 40 EDCB CN(C)c1ccc(CNc2cnn(CC(N)=O)c(=O)c2Cl)cc1 48264633 AQTUFILNIGPVIS-UHFFFAOYSA-N 335.795 1.060 10 40 EDCB CN(C)c1cc(NCCO)c2c(c1N)C(=O)c1ccccc1C2=O 6664559 JVFSBMCQILEZEK-UHFFFAOYSA-N 325.368 1.514 10 40 EDCB COc1ccc(N2CCC(NC(=O)[C@H](C)n3cncn3)CC2)cc1 69779279 DNRKRVPSCFUSNN-ZDUSSCGKSA-N 329.404 1.633 10 40 EDCB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1O 1441652 HCRRTQNOVXIKJR-AWEZNQCLSA-N 333.369 1.423 10 40 EDCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 4356912 JCEUAIVUPQJNHL-VKDKVYATSA-N 327.339 1.409 10 40 EDCB O=C1NC(=S)S/C1=C\N1N=C(c2ccccc2)C[C@H]1C(=O)O 256027884 HYQCCICNCXPUNR-QBQSQJOESA-N 333.394 1.539 10 40 EDCB CN1C(=O)C(=Cc2ccc(N(C)C)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 4596712 DKHRKVCDDSZZHN-UHFFFAOYSA-N 332.316 1.095 10 40 EDCB CC(C)([N+](=O)[O-])/[N+]([O-])=N/c1nonc1/N=[N+](\[O-])C(C)(C)[N+](=O)[O-] 44932684 UYPSLYNZJWBQQE-FOIMCPNXSA-N 332.233 1.283 10 40 EDCB C[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1ccc(N2CCOCC2)cc1 95955652 MNGZVHVSUCHAPS-CQSZACIVSA-N 341.411 1.713 10 40 EDCB COc1ccc2nc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)sc2c1 408533339 RYICBBBYJXEOGS-UHFFFAOYSA-N 346.368 1.651 10 40 EDCB C[C@H]1CN(C)CCN1CC(=O)NCc1ccc(N2CCCC2)cc1 89939068 RRHKUALWHWLRFT-INIZCTEOSA-N 330.476 1.539 10 40 EDCB Cc1c(CC(=O)NCc2ccccn2)c(=O)oc2c(O)c(O)ccc12 5348638 HKVYEIYWOOASTR-UHFFFAOYSA-N 340.335 1.767 10 40 EDCB CC[N+](CC)=c1ccc2nc3c(C(N)=O)cc(O)c(O)c3oc-2c1 16889980 BGUOELMSEHHUFJ-UHFFFAOYSA-O 328.348 1.255 10 40 EDCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c(O)c1 408911701 CHIQZWTYDDTRFZ-WUXMJOGZSA-N 342.282 1.903 10 40 EDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1cccc(O)c1 100472694 YHRSZFVCFQHIPM-JYRVWZFOSA-N 327.296 1.560 10 40 EDCB COc1ccc(N(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1OC 69444381 UPWMOVOVHMZUCB-UHFFFAOYSA-N 329.360 1.310 10 40 EDCB CCN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)C(=O)NC1=S 409391725 KYJFXEQAIKAXOC-RUDMXATFSA-N 334.353 1.071 10 40 EDCB NC(=O)CC1CCN(Cc2ccc(O)c(CN3CCOCC3)c2)CC1 1616036080 MYAKNFVYULPRRQ-UHFFFAOYSA-N 347.459 1.312 10 40 EDCB CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1 28894636 NYHVSGDRLAUUTE-GFCCVEGCSA-N 343.349 1.780 10 40 EDCB CCCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC 23162574 YRAVCIKVYSCINO-UHFFFAOYSA-N 332.356 1.918 10 40 EDCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC(C)=O 96193699 GRJCRHZIOQUUML-UHFFFAOYSA-N 346.339 1.444 10 40 EDCB COc1cccc(/C=C2\SC(=S)N([C@@H](CO)C(=O)O)C2=O)c1 5373610 GSCKWTWDAGOGEO-OYUORYAFSA-N 339.394 1.342 10 40 EDCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCC2)N(C)C)cc1 5340190 BSNVPYQROVTKGD-KRWDZBQOSA-N 346.475 1.530 10 40 EDCB COc1ccc(NC(=O)C[C@H]2SC(=S)NC2=O)c(OC)c1 34926832 DJQDUUCTVWNOCJ-SNVBAGLBSA-N 326.399 1.549 10 40 EDCB C[C@H](Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1)C(=O)O 39557437 AVTZEBXHJUSRTD-VIFPVBQESA-N 348.380 1.137 10 40 EDCB CN1C(=O)/C(=C\Nc2ccccc2Br)C(=O)NC1=S 17207559 FJXJBDJNTYUSCX-SREVYHEPSA-N 340.202 1.618 10 40 EDCB CC(=O)N1CCC(S(=O)(=O)NCc2ccc(N(C)C)cc2)CC1 75093741 WTMUMFZBHCBQNM-UHFFFAOYSA-N 339.461 1.183 10 40 EDCB CN(C1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1)S(C)(=O)=O 69566144 FUOZMEWHEPKUFN-UHFFFAOYSA-N 343.405 1.156 10 40 EDCB COc1ccc(N2CCC(NC(=O)NCC(C)(C)C(N)=O)CC2)cc1 69654848 MZXCZAAIDYBBOJ-UHFFFAOYSA-N 348.447 1.475 10 40 EDCB Cc1nc(O)c2c(n1)CN(Cc1ccc(N(C)CCO)cc1)CC2 19576599 XVPQVKYREOJCNN-UHFFFAOYSA-N 328.416 1.477 10 40 EDCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1C[C@H]1CCCO1 59109279 XNTJOVJWMPHNCW-CQSZACIVSA-N 345.399 1.718 10 40 EDCB O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1CN1CCOCC1 13097552 IYJKAHPKBLWEKT-LCYFTJDESA-N 336.438 1.883 10 40 EDCB Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(CN(C)C)c(O)c1C2=O 20111521 HFDQQHZBQBZRBU-UHFFFAOYSA-N 327.336 1.949 10 40 EDCB biogenic Cn1c(=O)c2[nH]c(/N=N/Nc3ccc(Cl)cc3)nc2n(C)c1=O 17174180 BSXHYJWNSCNRMN-UHFFFAOYSA-N 333.739 1.725 10 40 EDCB COc1cc(Br)cc([C@@H]2N[C@H](C(=O)O)CS2)c1O 33486979 JYCPRAFSYOAQHG-OIBJUYFYSA-N 334.191 1.952 10 40 EDCB O=C(O)CN1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 11689748 BEGKFKDSQOKFBA-WZUFQYTHSA-N 331.378 1.916 10 40 EDCB C[C@H](NC(=O)N[C@@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1 69841206 IZVGTBITNSDOJZ-XJKSGUPXSA-N 346.431 1.162 10 40 EDCB NC1=C(C(=O)/N=N/C(=O)CC23CC4CC(CC(C4)C2)C3)NC=CN1 22240981 BNXRLKKPKZLYFG-QURGRASLSA-N 329.404 1.890 10 40 EDCB CCN1C[C@H](C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1=O 55878318 ZCGOKINLPRCARD-OAHLLOKOSA-N 345.443 1.602 10 40 EDCB CN1C(=O)C(=CNc2c(F)c(F)c(F)c(F)c2F)C(=O)N(C)C1=O 6490415 WZDKYNSIJLIMFM-UHFFFAOYSA-N 349.215 1.728 10 40 EDCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(C)cc1 103518646 XCRZQBPOFUUIFM-BUYRESAOSA-N 333.413 1.696 10 40 EDCB Nc1nnc(SCC(=O)NCc2cc([N+](=O)[O-])ccc2O)s1 12428563 IGTWBTJLZCKXGX-UHFFFAOYSA-N 341.374 1.143 10 40 EDCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NCCCO)C2=O)c(C)c1 102895162 UCCWZKZFUSSHRH-UKTHLTGXSA-N 331.372 1.051 10 40 EDCB O=C([C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1)N1CCOCC1 40490056 PBTBICOWFJDWQL-CYBMUJFWSA-N 348.399 1.192 10 40 EDCB CC(=O)NCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 43141109 RXKFNHPGXATLQH-HNNXBMFYSA-N 335.404 1.219 10 40 EDCB CN(Cc1ccccc1O)C(=O)NC1CCN(c2ncccn2)CC1 44968342 RXTYYAXJTKJVLD-UHFFFAOYSA-N 341.415 1.993 10 40 EDCB Oc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCNCC2)cc1 22874659 ADXJDIUUZKZIAO-SFHVURJKSA-N 328.368 1.821 10 40 EDCB O=C1NC(=O)C(=Cc2cccc(I)c2)C(=O)N1 3159452 PZVSMYBQONGZAA-UHFFFAOYSA-N 342.092 1.041 10 40 EDCB COc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OC(C)C 7718386 HMIWQZAZPDJEAW-UHFFFAOYSA-N 332.356 1.916 10 40 EDCB O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccc(O)c(O)c1 6091850 VMNHBRAHVFOYGK-ZZXKWVIFSA-N 344.319 1.877 10 40 EDCB COc1ccc2c(c1)OCC(C=C1C(=O)N(C)C(=O)N(C)C1=O)=C2 14168558 YQSSDZRXDBJJAI-UHFFFAOYSA-N 328.324 1.448 10 40 EDCB CCCC[C@@H](CC)COCCCN/C=C1\C(=O)NC(=O)N(C)C1=O 6635840 VMUVSQZZGKOPIM-MBFWDRTGSA-N 339.436 1.791 10 40 EDCB O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc[nH]1 503605 DSKOAGLAOQMQNN-MDWZMJQESA-N 329.356 1.981 10 40 EDCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@H]1CCOC1 69897308 UYBJADYBQRIGJS-HNNXBMFYSA-N 326.462 1.941 10 40 EDCB O=C1CN(c2ccc(CNC(=O)c3cccc(F)c3)cc2)CCN1 36392558 CMZODEZOAJHPNS-UHFFFAOYSA-N 327.359 1.692 10 40 EDCB COC(=O)CN(CC(=O)NC(C)C)Cc1cc(Cl)ccc1O 69902642 IBDPLALWQUGCAK-UHFFFAOYSA-N 328.796 1.545 10 40 EDCB Cc1ccc(NC(=S)NC=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)c1 408531642 OSIZRCSCKAJFQS-UHFFFAOYSA-N 346.412 1.524 10 40 EDCB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cc([N+](=O)[O-])ccc1O 48165185 OFQRFVMSFXOUMP-VIFPVBQESA-N 333.300 1.328 10 40 EDCB Cc1cc2nc(N/C=C3\C(=O)NC(=O)N(C)C3=O)sc2cc1C 408528093 FDWVQQVCAUYGFH-RMKNXTFCSA-N 330.369 1.917 10 40 EDCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCCO 13179528 MGNPFJGDGGWTJB-VBKFSLOCSA-N 331.372 1.198 10 40 EDCB O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2cccc([N+](=O)[O-])c21 3875555 JFORTLRWSWJGGI-UHFFFAOYSA-N 333.277 1.617 10 40 EDCB COc1cn(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)cc1=O 1615552608 WVIOTEMIQBNTRM-UHFFFAOYSA-N 341.411 1.924 10 40 EDCB Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1SC(=S)NC1=O 34926856 PLZDXLVVOGRLBG-SECBINFHSA-N 325.371 1.748 10 40 EDCB O=C(O)c1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O 31158571 JGHTWRZCNLXYPF-UHFFFAOYSA-N 334.667 1.930 10 40 EDCB biogenic,in-vitro Cn1nccc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 583616636 VJRZSLICSCQNDC-HKUYNNGSSA-N 342.443 1.877 10 40 EDCB COc1ccccc1N1CCN(C[C@H](O)c2ccc(O)c(O)c2)CC1 31298027 QESTYTNSJJTQCI-SFHVURJKSA-N 344.411 1.962 10 40 EDCB in-man CCOC(=O)c1ccc(N/C=C2\SC(NC(C)=O)=NC2=O)cc1 618254467 BXNJJYXDSOIRFX-WQLSENKSSA-N 333.369 1.882 10 40 EDCB Cc1nn(-c2ccccc2)c(Cl)c1C=C1C(=O)NC(=O)NC1=O 3263653 DOPVWQNLTQZFBB-UHFFFAOYSA-N 330.731 1.584 10 40 EDCB COc1ccc(N2CCN(c3nccn(C4CC4)c3=O)CC2)cc1 302027908 QXTIAOOWCAQPSS-UHFFFAOYSA-N 326.400 1.913 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccoc3)cc2)C1 55916830 GDGYZDRBPKBQET-AWEZNQCLSA-N 327.384 1.911 10 40 EDCB CNC(=O)c1nnsc1N1CCN(c2ccc(OC)cc2)CC1 1417133 IGNSYCGUKCMVNO-UHFFFAOYSA-N 333.417 1.233 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3CCOCC3)cc2)C1 84403005 SHXNNJRSXQPJHL-MRXNPFEDSA-N 345.443 1.431 10 40 EDCB Cc1ccc(S(=O)(=O)NCc2ccc(N3CCNCC3)cc2)cc1 95921830 LEPZKEZAJMFTGN-UHFFFAOYSA-N 345.468 1.883 10 40 EDCB CC(C)N(CC(N)=O)CC(=O)NCc1ccc(N2CCCC2)cc1 51477057 HHQJDILZXMZZFN-UHFFFAOYSA-N 332.448 1.099 10 40 EDCB O=C1NC(=O)C(=CNc2ccc(C(=O)c3ccccc3)cc2)C(=O)N1 11667062 UZISMXOHSITGJM-UHFFFAOYSA-N 335.319 1.579 10 40 EDCB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(Cc1ccccc1O)C2 514290412 YKQDCROYABYQEE-ZWKOTPCHSA-N 345.487 1.353 10 40 EDCB biogenic,in-vitro Cc1ccccc1N1C(=O)/C(=C\NN2CCOCC2)C(O)=NC1=S 20024752 SUOPUPVTLYUBDW-BENRWUELSA-N 346.412 1.304 10 40 EDCB COc1ccc(N(CCC(N)=O)CC(=O)NCC(F)(F)F)cc1 9376113 TYQCVMRRMRPQDW-UHFFFAOYSA-N 333.310 1.056 10 40 EDCB COCCOc1ccc(CC(=O)NCc2ccc(O)cc2O)cc1 585088103 KBAPUBKPPIDHGT-UHFFFAOYSA-N 331.368 1.982 10 40 EDCB COc1cc(N2CCCC2)c(OC)cc1C=C1C(=O)NC(=O)NC1=O 409100123 PYGQSWXMWVDVOC-UHFFFAOYSA-N 345.355 1.053 10 40 EDCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC(C)C 5846806 GNWBRGDBPBMGTE-UHFFFAOYSA-N 332.356 1.916 10 40 EDCB COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2C)C1=O 408548622 JWRBGRNCPIQUQM-XNTDXEJSSA-N 343.383 1.661 10 40 EDCB O=C1NC(=O)C(=Cc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)N1 408826749 CVJHWJOWRGEBCJ-UHFFFAOYSA-N 345.242 1.743 10 40 EDCB CN1OC2(CCN(Cc3ccc(N4CCOCC4)cc3)CC2)CC1=O 1549168168 UHRWSBCBAHZDJY-UHFFFAOYSA-N 345.443 1.652 10 40 EDCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc2c(c1)OCO2 409196425 VBWFOZCZJIUPPN-GHXNOFRVSA-N 328.324 1.820 10 40 EDCB Cn1cc(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 96410503 YMNANBQKLYMLGH-INIZCTEOSA-N 329.400 1.876 10 40 EDCB CCN(CC)CCN/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 95483833 FKYIZNNMFSNECQ-QXMHVHEDSA-N 348.378 1.224 10 40 EDCB Cc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccn1 44915109 ODFFTMFRZCVGFH-AWEZNQCLSA-N 347.440 1.654 10 40 EDCB CN1C(=O)C[C@@H](CNCc2ccc3c(c2)CCO3)[C@@H]1c1nccn1C 583616618 RJOYDWBPYKPICC-MAUKXSAKSA-N 340.427 1.664 10 40 EDCB O=c1[nH]n2c(=O)c3c([nH]c2c1/N=N/c1ccc2c(c1)OCO2)CCC3 103674874 QYVXOQTTZHPPCI-VHEBQXMUSA-N 339.311 1.949 10 40 EDCB COc1ccc(N2CCN(C(=O)N[C@H](C)Cn3cccn3)CC2)cc1 65400959 KNVFMKPVPBLGQT-OAHLLOKOSA-N 343.431 1.812 10 40 EDCB Cc1c(CC(=O)NCc2cccnc2)c(=O)oc2c(O)c(O)ccc12 5350302 XFGXSDKDCOORAN-UHFFFAOYSA-N 340.335 1.767 10 40 EDCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/O)C1=O 101123306 FXXQBISRVZMQCC-YVMONPNESA-N 325.118 1.782 10 40 EDCB CC1=NN(c2ccccc2)C(=O)[C@H]1C1(O)C(=O)c2ccccc2C1=O 8782683 OOTZBOKPGAQKQT-HNNXBMFYSA-N 334.331 1.836 10 40 EDCB CC[C@@H](C)N1C(=O)/C(=C/NCCc2ccccc2)C(=O)NC1=S 5925083 NXNWSJHQKTZZRU-SLQMCABGSA-N 331.441 1.744 10 40 EDCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N)SC1=S 584905800 URMANJNMAUYYOL-AWPPVZKDSA-N 336.438 1.821 10 40 EDCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)cc1 57289875 WXQUYOYADXVFKN-QGZVFWFLSA-N 331.416 1.355 10 40 EDCB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3ccc[nH]3)C2=O)c1 100330619 NRBZTTPECFHXEQ-WQLSENKSSA-N 341.323 1.698 10 40 EDCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1CC(F)(F)F 3185451 KTXUSOWFWHPPSY-UHFFFAOYSA-N 331.319 1.582 10 40 EDCB O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)O)cc2[N+](=O)[O-] 4783162 DZPXZKACGZNZQZ-UHFFFAOYSA-N 333.277 1.617 10 40 EDCB CN(C)CCN/C=C1/C(=O)N=C(S)N(c2ccccc2F)C1=O 102532580 PYIYDSFPMURVFK-KTKRTIGZSA-N 336.392 1.020 10 40 EDCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1C[C@@H]1CCCO1 59109278 XNTJOVJWMPHNCW-AWEZNQCLSA-N 345.399 1.718 10 40 EDCB CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnn(CC(F)F)c1 330031932 GFUZGNOIUZYRPO-UHFFFAOYSA-N 345.327 1.857 10 40 EDCB COc1ccc(N2CCN(C(=O)NCCCn3cccn3)CC2)cc1 44968443 QNILYIHDWKTANP-UHFFFAOYSA-N 343.431 1.814 10 40 EDCB CC[C@@H](C)N1C(=O)/C(=C/Nc2ccccc2C(=O)O)C(=O)NC1=S 20391416 ZIJNUKDAJHNQOF-FJUNDMEASA-N 347.396 1.722 10 40 EDCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)N1CCCC1 1101640 YDZBCURSMPNLHM-MDWZMJQESA-N 348.380 1.757 10 40 EDCB O=C(NCCn1ccnc1)N(Cc1ccccc1O)C[C@H]1CCCO1 43311887 NQZIGKRMPUGDJB-MRXNPFEDSA-N 344.415 1.980 10 40 EDCB CN(CCO)c1ccc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1 7126754 AMTSWBFPFODVQI-MRXNPFEDSA-N 336.399 1.561 10 40 EDCB Cc1c(C)c2ccc(O)c(CN[C@H]3CCS(=O)(=O)C3)c2oc1=O 9303996 ZPELSWQSGJLWTG-NSHDSACASA-N 337.397 1.392 10 40 EDCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 18152191 HNXUPMNTWHAQRI-YRNVUSSQSA-N 331.353 1.086 10 40 EDCB O=C(O)[C@H](CO)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 5374186 NJOAEFFRJVLQFL-QFQXNISHSA-N 343.813 1.987 10 40 EDCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc2sc(=O)oc12 59596748 DHEQEPKQVGXXFF-UHFFFAOYSA-N 348.336 1.297 10 40 EDCB CC[C@H](C)N1C(=O)/C(=C\NCCN2CCCCC2)C(=O)N=C1S 103092773 MVLAHIFZBNPYJL-KLDSGFLGSA-N 338.477 1.399 10 40 EDCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCc1ccc3c(c1)OCO3)C(=O)C2=O 1805594 MXHSZFFTAFNBDI-RBUKOAKNSA-N 343.379 1.996 10 40 EDCB CC(=O)Oc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 409335106 YUPWCMSDBGFJLZ-WDZFZDKYSA-N 337.378 1.898 10 40 EDCB C[C@@H](NC(=O)N1CC[C@H](C(N)=O)C1)c1ccc(N2CCOCC2)cc1 71831077 NZTQQAIIDUKWAU-HIFRSBDPSA-N 346.431 1.101 10 40 EDCB COc1ccc(-n2nnnc2CNC(=O)c2ccccc2F)cc1 9570360 WWUNGBKGWZRCRP-UHFFFAOYSA-N 327.319 1.740 10 40 EDCB Cc1cc(C)cc(N2C(=O)/C(=C/N3CCOCC3)C(=O)NC2=S)c1 105964444 PBVAUUOGZBWRDL-GXDHUFHOSA-N 345.424 1.267 10 40 EDCB COc1cc(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1O 59139687 XIEIKQNBEGQSEP-UHFFFAOYSA-N 340.788 1.653 10 40 EDCB CCN1C(=O)/C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)NC1=S 409393200 VOJLZVDJHPYBLW-AVJLEEFCSA-N 329.425 1.955 10 40 EDCB COc1ccc(N2CCN(C(=O)C(=O)N3CCCCC3)CC2)cc1 244507966 ZMPTYAKYFAIZGK-UHFFFAOYSA-N 331.416 1.356 10 40 EDCB COc1cc(NC=C2C(=O)NC(=S)NC2=O)c(OC)cc1Cl 16943063 VGXBNGVXTUHNCD-UHFFFAOYSA-N 341.776 1.184 10 40 EDCB CC[C@@H](C)N1C(=O)/C(=C/Nc2cccc3nonc23)C(=O)NC1=S 8770436 NASGDXJYSRVWFW-KGOFQHAKSA-N 345.384 1.560 10 40 EDCB O=C(O)[C@@H](CO)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 5374151 PPTXETCOLAMKRL-JRZFIGEHSA-N 327.358 1.472 10 40 EDCB CS(=O)(=O)Nc1ccc(O)c(C(=O)NN2Cc3ccccc3C2)c1 95444967 FPBQSHKXKYAWQZ-UHFFFAOYSA-N 347.396 1.424 10 40 EDCB COCCNCc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12 13655392 KJVOZPXAGPTWBT-UHFFFAOYSA-N 335.356 1.259 10 40 EDCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NN1CCN(C)CC1 100111191 DMOYRGUHRVNDEO-DTQAZKPQSA-N 345.422 1.964 10 40 EDCB COc1ccc(N2CCN(C(=O)NCCc3cnn(C)c3)CC2)cc1 65574976 UUCITZSIPXPWJD-UHFFFAOYSA-N 343.431 1.503 10 40 EDCB Cc1cc(CNC(=O)CNC(=O)NCc2ccco2)ccc1N(C)C 78912508 UMEXNPYYXVXPMY-UHFFFAOYSA-N 344.415 1.770 10 40 EDCB Cc1ccc(NC=C2C(=O)NC(=S)NC2=O)c(Br)c1 17025748 IRVXQULPUQGHOD-UHFFFAOYSA-N 340.202 1.584 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2)C1 55917278 CFCNRPCSSLMTBI-RDJZCZTQSA-N 345.443 1.574 10 40 EDCB C[C@H](C(=O)O)N1C(=O)/C(=C2\C(=O)N(C)c3ccccc32)SC1=S 1800893 FKALJXADTPROPL-XQTQKYGKSA-N 348.405 1.708 10 40 EDCB COc1ccc(N2CCN(c3ncccn3)[C@H](C(=O)N(C)C)C2)cc1 72361527 BLTXTUSPIMQXES-INIZCTEOSA-N 341.415 1.269 10 40 EDCB COc1cccc([C@@H]2C=C(C(=O)O)Nc3nc(SC)nn32)c1O 101599912 JNTHYTKURBHPMS-VIFPVBQESA-N 334.357 1.698 10 40 EDCB NC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 5781207 KUKVFZNBSDZJOH-UHFFFAOYSA-N 343.722 1.758 10 40 EDCB COC(=O)/C(=C\N(C)C)C1=NN(c2ccccc2)C(=O)/C1=C\N(C)C 101446163 LZFSEKQTFSZXIA-GFCQZRJLSA-N 342.399 1.453 10 40 EDCB CC(=O)Nc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 12868475 XZNHWIDEDCVPTG-GXDHUFHOSA-N 331.397 1.948 10 40 EDCB O=S(=O)(Cc1ccccc1)NCCNCc1ccc2c(c1)CCO2 66875077 DQXBCDCFABSSAX-UHFFFAOYSA-N 346.452 1.831 10 40 EDCB COc1cc(O)c2c(c1)O[C@@H](O)[C@]1(Cc3cc4c(cc31)OCO4)C2=O 14692691 HQNATRVFSYNBMS-MSOLQXFVSA-N 342.303 1.517 10 40 EDCB biogenic COc1ccc(N2CCN(CC(=O)Nc3cc(C)no3)CC2)cc1 40481434 YNAHZGOXMUADKZ-UHFFFAOYSA-N 330.388 1.752 10 40 EDCB CCN(CC)CCN/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 100794637 QWWQEJOKHAXTLW-NTCAYCPXSA-N 344.415 1.393 10 40 EDCB Cc1cc([N+](=O)[O-])c(C)cc1NC=C1C(=O)N(C)C(=O)N(C)C1=O 408536274 VQPNXWRGOFPDRC-UHFFFAOYSA-N 332.316 1.558 10 40 EDCB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccncc2)C1=O 2194474 GPZFYDHDUKLJCW-FMIVXFBMSA-N 344.421 1.966 10 40 EDCB COc1cccc(/C=C2\SC(=S)N([C@H](CO)C(=O)O)C2=O)c1 5373612 GSCKWTWDAGOGEO-CHPNCVJKSA-N 339.394 1.342 10 40 EDCB Cc1ccccc1N1C(=O)N=C(O)/C(=C/NCCCN(C)C)C1=O 103114190 KHOIZJDZBVOCCS-QBFSEMIESA-N 330.388 1.843 10 40 EDCB Cc1cc(C(=O)NCCCNS(C)(=O)=O)c(C)n1-c1ccccc1 48237438 CGBRFRZNXPAULD-UHFFFAOYSA-N 349.456 1.763 10 40 EDCB COc1ccc(N2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 55877625 UMPDUQWGOSTZQH-UHFFFAOYSA-N 327.384 1.736 10 40 EDCB O=C(CS(=O)(=O)O)Nc1cccc2c1C(=O)c1ccccc1C2=O 4713539 XYKJODSOYCCYNW-UHFFFAOYSA-N 345.332 1.288 10 40 EDCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c([N+](=O)[O-])cc1OC 3044919 CVDQGTDOIQEYRN-UHFFFAOYSA-N 349.299 1.046 10 40 EDCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccco1 409190491 ONTYJNGAISUFMX-XYOKQWHBSA-N 342.332 1.809 10 40 EDCB COC(=O)[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCO1 75582765 PLOBDZWJKLJHFB-MRXNPFEDSA-N 347.415 1.152 10 40 EDCB COC(=O)c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 126300 QFKRCCOVAKKLAY-JLHYYAGUSA-N 332.381 1.776 10 40 EDCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1O 408917089 MIESRNSGXYVAPM-XBXARRHUSA-N 340.788 1.701 10 40 EDCB O=C(O)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2O)SC1=S 18011456 CNWGWZABZWJOHG-YWEYNIOJSA-N 340.338 1.586 10 40 EDCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccc(Cl)c(C(=O)O)c1 34926869 DTZXVLKDWMJBJS-QMMMGPOBSA-N 344.801 1.883 10 40 EDCB NC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(F)cc3)S2)CC1 202260 JZYHQKCRWYMLPR-LCYFTJDESA-N 333.388 1.993 10 40 EDCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NN1CCOCC1 112113180 MSFOMOINXPQPRV-PTNGSMBKSA-N 345.359 1.428 10 40 EDCB CCN1C(=O)C(=Cc2ccc(C(=O)O)cc2)C(=O)N(CC)C1=S 5905016 XPKRKXUIZVRABO-UHFFFAOYSA-N 332.381 1.764 10 40 EDCB Cc1nn(C)c(C)c1/C=C/C(=O)NCc1cc([N+](=O)[O-])ccc1O 36384446 DOYNUWZDFCYJOM-FNORWQNLSA-N 330.344 1.980 10 40 EDCB C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)n1cncn1 65404095 PIEKVOFNUQUBBV-CQSZACIVSA-N 329.404 1.334 10 40 EDCB CC(=O)N1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 89937505 RSFHVAOIEDKVNQ-HNAYVOBHSA-N 331.460 1.870 10 40 EDCB O=C1/C(=C\c2ccncc2)SC(=S)N1CCS(=O)(=O)O 6616703 HBHHXTGZYXZJOL-VQHVLOKHSA-N 330.412 1.171 10 40 EDCB Cn1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1=O 54284417 NYNSKSVZAFYBHT-UHFFFAOYSA-N 327.384 1.152 10 40 EDCB Cc1cc(C(=O)O[C@@H](C)C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 44968243 DLKUIHWPXIMRLY-LBPRGKRZSA-N 344.367 1.896 10 40 EDCB CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)C(=O)N(C)C1=O 575442997 KKNLCFZSOTVRDD-XFXZXTDPSA-N 332.356 1.918 10 40 EDCB CN1C(=O)/C(=C/Nc2ccc(S(N)(=O)=O)cc2)SC1=S 618255287 VJTYMQQIZVJKOK-TWGQIWQCSA-N 329.428 1.077 10 40 EDCB Cc1cc(NC(=O)NCc2ccc(N3CCNC(=O)C3)cc2)no1 31099599 XICSKKLLQYFTMF-UHFFFAOYSA-N 329.360 1.241 10 40 EDCB CCOC(=O)C1CCN(Cc2cc(=O)oc3cc(O)c(O)cc23)CC1 2124851 FNPBZHRYLQWPAM-UHFFFAOYSA-N 347.367 1.979 10 40 EDCB CCC(=O)N1CCC[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2O)C1 58159239 MTUSXPCWJUXGFC-LLVKDONJSA-N 335.360 1.565 10 40 EDCB O=C1NC(=O)C(=Cc2cc(Cl)cc(Br)c2O)C(=O)N1 408718394 WSJBSXHPJGUCQB-UHFFFAOYSA-N 345.536 1.558 10 40 EDCB COc1ccc(-n2nnnc2CNC(=O)Cc2ccc(F)cc2)cc1 9570392 OZQUCHSKXZXRCR-UHFFFAOYSA-N 341.346 1.669 10 40 EDCB CN1CCN(C2=NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)CC1 19913480 PSTIPCBQLANMSB-RAXLEYEMSA-N 332.385 1.813 10 40 EDCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C/Nc1cccc(C(=O)O)c1 6276506 AYWPRGVKVXZIAE-YRNVUSSQSA-N 331.353 1.086 10 40 EDCB NS(=O)(=O)c1ccc(/N=N\c2nc3c(S)ncnc3[nH]2)cc1 12410593 KECAPWAPGSULDL-ZCXUNETKSA-N 335.374 1.704 10 40 EDCB in-vitro CN(C)c1ccc(CNC(=O)c2ccnc(-n3cncn3)c2)cc1F 58265735 XNLWZHWNYIXCFH-UHFFFAOYSA-N 340.362 1.797 10 40 EDCB O=C1N=C(O)N(Cc2ccccc2)C(=O)/C1=C\NN1CCCCC1 16946167 ZFAWUIAJTOAOBL-KAMYIIQDSA-N 328.372 1.344 10 40 EDCB CN(C)c1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 3882455 WBLRWQFVVHCCLM-AFIMGQEJSA-N 328.368 1.119 10 40 EDCB CCc1nnc2n1C[C@H](NCc1ccc(N3CCOCC3)cc1)CC2 97199494 OHSHBBPTLWGCHN-MRXNPFEDSA-N 341.459 1.782 10 40 EDCB N=C1/C(=C/c2ccco2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084442 DDJVQOFSGJTAIF-AALLTECHSA-N 331.357 1.188 10 40 EDCB CCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 5098939 KFNSWWGAETUOGI-INIZCTEOSA-N 325.478 1.829 10 40 EDCB COc1ccc(N2CCN(C(=O)CCN3CCC(O)CC3)CC2)cc1 32776728 KLFBZFZIIZJBKY-UHFFFAOYSA-N 347.459 1.191 10 40 EDCB Cc1noc(C)c1CC(=O)NCc1ccc(N2CCNC(=O)C2)cc1 42077985 OQNLWJZTKFBROU-UHFFFAOYSA-N 342.399 1.087 10 40 EDCB O=C(CCN1C(=O)CCC1=O)NCc1ccc(N2CCCCC2)cc1 58209808 UOBNSJRVEGQDHH-UHFFFAOYSA-N 343.427 1.832 10 40 EDCB CN1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)NC1=S 573025 BHLKKCLDFOTKSC-QPJJXVBHSA-N 341.186 1.411 10 40 EDCB O=C1NC(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])ccc1Cl 3067010 JOPLTDUDAJXIAC-UHFFFAOYSA-N 326.721 1.075 10 40 EDCB C[C@@H](C(=O)O)n1ccc2cc(C=C3C(=O)NC(=O)NC3=O)ccc21 4703701 PVAGDPLBCSFOTA-QMMMGPOBSA-N 327.296 1.036 10 40 EDCB Cc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)c(C)n1-c1ccccn1 71871198 WYISZULFLNAQOO-OAHLLOKOSA-N 342.443 1.628 10 40 EDCB COc1ccc(N2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)cc1F 95966157 BPLNFBOXJNTJHL-UHFFFAOYSA-N 331.347 1.485 10 40 EDCB COc1ccc(-c2csc(NC=C3C(=O)NC(=O)NC3=O)n2)cc1 9109264 YVCDUFSJNIYSTB-UHFFFAOYSA-N 344.352 1.481 10 40 EDCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccccn1 409244099 XQEKPVKGXAILAJ-UKTHLTGXSA-N 340.408 1.746 10 40 EDCB COc1cccc(N2C(=O)/C(=C\c3ccc[nH]3)C(=O)NC2=S)c1 19708357 XRROVPWRCLRNCD-JYRVWZFOSA-N 327.365 1.855 10 40 EDCB COCC(=O)N1CCN(Cc2c(O)ccc3ccc(OC)cc23)CC1 54543245 OJUYWAVHUYISRJ-UHFFFAOYSA-N 344.411 1.845 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCC3CC3)cc2)C1 56380257 YATBFUOQDSYCFP-OAHLLOKOSA-N 330.432 1.598 10 40 EDCB Fc1cc(CNC[C@H]2CN(C3CC3)CCO2)ccc1N1CCOCC1 71880877 ARFWEGYXSVILSM-KRWDZBQOSA-N 349.450 1.615 10 40 EDCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OCC 408912426 GDMXMSFPOYNZCF-DHZHZOJOSA-N 334.397 1.741 10 40 EDCB CCS[C@@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@@H](CO)[C@H]1N=[N+]=[N-] 5488185 ADMYBCMIRRAIME-LUCMMUEDSA-N 336.381 1.099 10 40 EDCB CCCCOC(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1 9469624 BGSUJBDJQTYXRN-UHFFFAOYSA-N 347.396 1.470 10 40 EDCB N[C@H]1CCCC[C@@H]1N/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 20291877 VMNVYGXDZFTPSS-IRTDIPEASA-N 344.440 1.178 10 40 EDCB COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(O)c(O)cc32)cc1OC 3847452 AKSMAPRNZUUFCR-SJCJKPOMSA-N 345.351 1.803 10 40 EDCB biogenic CN(C)c1ccc(CNC(=O)c2ccc(N3CCOCC3)nc2)cc1 12555517 QLLXPCGBVJKBFQ-UHFFFAOYSA-N 340.427 1.914 10 40 EDCB CN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)SC1=S 409134518 VXLWBMVUJMCEOH-SDQBBNPISA-N 331.422 1.958 10 40 EDCB CCN(Cc1ccccc1O)C[C@@]1(C)Cc2c(N)nc(N)nc2O1 257296635 RDQZQFMTAJVSIQ-QGZVFWFLSA-N 329.404 1.562 10 40 EDCB COc1ccc(N2CCCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 55877333 VNVASDZKWJOPNN-UHFFFAOYSA-N 342.399 1.141 10 40 EDCB CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=S)NC2=O)cc1 34926823 NKNZKOKZNIECCP-JTQLQIEISA-N 338.410 1.708 10 40 EDCB COc1ccc(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)cc1 101479836 CLZRMUPGLRLKAJ-NCPSJORJSA-N 349.412 1.396 10 40 EDCB CN1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N(C)C1=S 59139334 JZAATDAJCGAIFO-UHFFFAOYSA-N 339.760 1.847 10 40 EDCB CCOC(=O)[C@@H]1[C@H](c2ccccc2O)NC(=O)N[C@]1(O)C(F)(F)F 5592481 DMBBIGPNGBWBPX-OUJBWJOFSA-N 348.277 1.176 10 40 EDCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CC2)N2CCCC2)cc1 5340979 UBMYCEVEVUCXQB-KRWDZBQOSA-N 344.459 1.284 10 40 EDCB COc1ccc(N2CCN(Cc3c(O)c(=O)cc(C)n3C)CC2)cc1 79478915 FHKAUTAHACUYNJ-UHFFFAOYSA-N 343.427 1.730 10 40 EDCB COc1ccc(N2CCCN(C(=O)CCn3cncn3)CC2)cc1 55878096 PIYFHLHEYXUOAF-UHFFFAOYSA-N 329.404 1.416 10 40 EDCB O=C1OC[C@H]2[C@@H]1Cc1cc(O)c(O)cc1[C@@H]2c1ccc(O)c(O)c1 4404407 WQECJMDOMUSXDX-PRXAMGSTSA-N 328.320 1.986 10 40 EDCB CN1CC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O 54284383 FHILBSNQIVIQPM-OAHLLOKOSA-N 331.416 1.008 10 40 EDCB COc1ccc(-n2nnnc2CNC(=O)c2ccc(F)cc2)cc1 9570363 UTRCAZORMJOWEX-UHFFFAOYSA-N 327.319 1.740 10 40 EDCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NCCN(C)C)C2=O)c(C)c1 100792519 RVNGDTBDHXLVTP-GXDHUFHOSA-N 344.415 1.230 10 40 EDCB O=C(O)CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2O)SC1=S 3151579 IQMOOQROQJKYOI-RUDMXATFSA-N 340.338 1.586 10 40 EDCB COc1ccc(N2CCN(C(=O)CN3CCCCCC3=O)CC2)cc1 8161178 BVXXKWFQYPKNHJ-UHFFFAOYSA-N 345.443 1.746 10 40 EDCB COCCN1C(=O)/C(=C\c2ccccc2C(=O)O)C(C(=O)OC)=C1C 408787586 CDGZJVPEEBWFIF-UVTDQMKNSA-N 345.351 1.704 10 40 EDCB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(N2CCOCC2)cc1 19575249 MIEOHUNGRBBVQZ-AYOQOUSVSA-N 331.460 1.163 10 40 EDCB CN1C(=O)C(=Cc2cnn(-c3ccc(Cl)cc3)c2)C(=O)N(C)C1=O 40139521 VFLHMLSMNJYEBA-UHFFFAOYSA-N 344.758 1.960 10 40 EDCB Cc1ccc2c(c1)/C(=C1\SC(N3CCOCC3)=NC1=O)C(=O)N2 20170482 YAPMQLZYOXXILK-OUKQBFOZSA-N 329.381 1.620 10 40 EDCB CN(C)c1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 1301218 WBLRWQFVVHCCLM-BORJPKMPSA-N 328.368 1.119 10 40 EDCB CCN(CC)CCN/C=C1\C(=O)N=C(S)N(c2ccccc2)C1=O 1819126 FYGXGBIBTRLTIQ-WYMLVPIESA-N 346.456 1.661 10 40 EDCB O=S(=O)(O)c1ccc(/N=N/c2nc3c(O)nc(O)nc3[nH]2)cc1 104047391 ZUXOJCUQZMBIEO-WUKNDPDISA-N 336.289 1.426 10 40 EDCB Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 35325307 RWHZYUCUBSDVQP-UONOGXRCSA-N 338.411 1.488 10 40 EDCB COc1ccc(N2CCN(C(=O)[C@H]3[C@H](C(=O)O)C3(C)C)CC2)cc1 71281351 GHHIMOANADRQHU-HUUCEWRRSA-N 332.400 1.701 10 40 EDCB Cc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)o1 41077707 GGCKEJIZUYJWPG-GQGQYVCHSA-N 338.370 1.209 10 40 EDCB O=C(c1cnccn1)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 69737041 BATNBAUKSURYQB-UHFFFAOYSA-N 343.343 1.048 10 40 EDCB Cc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)o1 19891045 MUEUAKXHLILQLO-TWGQIWQCSA-N 333.412 1.677 10 40 EDCB CN(C)c1ccc(CNC(=O)CNC(=O)Cc2ccccc2)cc1 8171282 QCXZNWXZJXRHSZ-UHFFFAOYSA-N 325.412 1.728 10 40 EDCB CC1=NN(C(=O)COc2ccc(N(C)C)cc2)[C@](O)(C(F)(F)F)C1 6386206 YBWLFULEVNMMRI-CQSZACIVSA-N 345.321 1.991 10 40 EDCB Cn1nnc2c1CC[C@@H](NC(=O)NCc1cccc(Cl)c1O)C2 1521671356 DERJQAGFQMIJOI-SNVBAGLBSA-N 335.795 1.531 10 40 EDCB COc1cc(Br)cc([C@@H]2N[C@@H](C(=O)O)CS2)c1O 33486977 JYCPRAFSYOAQHG-GMSGAONNSA-N 334.191 1.952 10 40 EDCB COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc2c1OCO2 96891460 QDDUKFFMQIZZJH-MDWZMJQESA-N 348.380 1.726 10 40 EDCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\NCCN(C)C)C2=O)cc1 100776084 AKWDWLKYRIHCRS-RVDMUPIBSA-N 344.415 1.428 10 40 EDCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\N1CCCCC1 105972358 HRJCCPMGMFKCLY-RAXLEYEMSA-N 333.388 1.943 10 40 EDCB Cc1nnc2n1C[C@H](NCc1ccc(N3CCOCC3)cc1)CC2 95958122 UYMKNUSGNOYDJX-MRXNPFEDSA-N 327.432 1.528 10 40 EDCB O=C1N=C(S)N(C2CC2)C(=O)/C1=C\NCCCN1CCCCC1 103125173 HFOVRVYHLHUHIY-QBFSEMIESA-N 336.461 1.153 10 40 EDCB CC1CCN(c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)CC1 409273182 IUZSRDSKLCWFND-UHFFFAOYSA-N 331.372 1.950 10 40 EDCB CCC(=O)N1CCC[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2O)C1 58159238 MTUSXPCWJUXGFC-NSHDSACASA-N 335.360 1.565 10 40 EDCB CCOc1cn(-c2ccc(N)cc2)nc1C(=O)N1CCN(C)CC1 97673625 UYSDUGCOIQBEIF-UHFFFAOYSA-N 329.404 1.241 10 40 EDCB O=C1CN(c2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2F)CCN1 95396571 JSCNBWFEDKIHOH-UHFFFAOYSA-N 345.334 1.677 10 40 EDCB CCOc1cc(/C=C2\C(=O)N(c3nnn[nH]3)N=C2C)ccc1OC 34087007 VBJIZZHUMIPHSQ-XFFZJAGNSA-N 328.332 1.413 10 40 EDCB Cn1cc(/C=C/C(=O)N2CCCc3ccccc32)c(=O)n(C)c1=O 48354518 RKEQEPFPDTXBPV-MDZDMXLPSA-N 325.368 1.077 10 40 EDCB COc1ccc(N2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)cc1 61721767 BQOVPXSFUUWMGO-UHFFFAOYSA-N 343.383 1.355 10 40 EDCB COc1ccc(OC)c(/C=C2/SC(N3CCN(C)CC3)=NC2=O)c1 13785060 XJAIOEJCPCHSEJ-RVDMUPIBSA-N 347.440 1.922 10 40 EDCB O=C(O)COc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O 15009022 WETAYHSNUOABMC-GXDHUFHOSA-N 338.319 1.611 10 40 EDCB CCN1C[C@H](C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1=O 69568009 DIIHCWSOEGOUGQ-CQSZACIVSA-N 345.443 1.649 10 40 EDCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(C)C3=O)c2C)cc1 408757750 QKUSTISRKBUCBL-OQLLNIDSSA-N 338.367 1.889 10 40 EDCB COc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(O)c(O)cc32)cc1OC 3847451 AKSMAPRNZUUFCR-YVEFUNNKSA-N 345.351 1.803 10 40 EDCB biogenic COc1ccc(N2CCOCC2)cc1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 71286731 MHPSFYISRVPFCX-CABCVRRESA-N 348.399 1.827 10 40 EDCB CN(Cc1ccccc1O)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103567915 HZWJIFMNBSLPMK-MWDDYTRKSA-N 340.379 1.158 10 40 EDCB CN(C)c1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)n(C)c2=O)cc1 96759189 MSLMSHYSPAJPIA-SSZXNVRRSA-N 344.480 1.737 10 40 EDCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O 59475166 RNWJMVVDLANJJL-UKTHLTGXSA-N 325.280 1.762 10 40 EDCB CCN(CC)C(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(C)C2=O)cc1 408533545 SXRRVZHFDFTMHK-JLHYYAGUSA-N 344.371 1.173 10 40 EDCB Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(CC(=O)O)C1=O 408590189 GRDSDHYUHMLTBN-XNTDXEJSSA-N 343.383 1.963 10 40 EDCB O=C1NC(=S)NC(=O)C1=Cc1cccn1-c1ccc(C(=O)O)cc1 113866888 IOYYFBNMUILLMV-UHFFFAOYSA-N 341.348 1.090 10 40 EDCB CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 44971795 YBQJIBGOMOXGMN-OAHLLOKOSA-N 341.415 1.993 10 40 EDCB NC1=Nc2nc3ccccc3n2[C@H](c2ccc(N3CCOCC3)cc2)N1 7125433 LPRHBJCWSDHFOG-QGZVFWFLSA-N 348.410 1.969 10 40 EDCB CCN1CCN(c2ccc(CNC(=O)CN(C)C3CC3)cc2F)CC1 71883705 FKWIPRVKDZEEBA-UHFFFAOYSA-N 348.466 1.678 10 40 EDCB COc1cc2c(cc1C=C1C(=O)N(C)C(=S)N(C)C1=O)OCO2 408966622 PQRDOYXVIXNBPT-UHFFFAOYSA-N 334.353 1.023 10 40 EDCB Cc1cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)c(C)n1-c1ccccc1 3521360 DUAARNJELCMEFR-LBPRGKRZSA-N 329.356 1.834 10 40 EDCB Cc1cc(C(=O)O[C@H](C)C(=O)NC(N)=O)c(C)n1-c1ccccc1 3521361 DUAARNJELCMEFR-GFCCVEGCSA-N 329.356 1.834 10 40 EDCB CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 59139495 MRQOLAYTAHWURN-UHFFFAOYSA-N 334.397 1.693 10 40 EDCB CCOc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O 3157621 ROZYDTCJKYUKSI-UHFFFAOYSA-N 339.145 1.597 10 40 EDCB COc1cc(C(=O)NN2C(=O)CSC2=S)cc(OC)c1OC 1465590 OLXWGYGMTVWZLR-UHFFFAOYSA-N 342.398 1.218 10 40 EDCB O=C1C(=Cc2ccccc2O)SC(=S)N1CN1CCOCC1 2049243860 YKYCZGPATIUELM-UHFFFAOYSA-N 336.438 1.883 10 40 EDCB CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 5340965 WXTXLVBZOLXPHN-MRXNPFEDSA-N 332.448 1.142 10 40 EDCB CC(=O)N1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1 89937500 RSFHVAOIEDKVNQ-BEFAXECRSA-N 331.460 1.870 10 40 EDCB COc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2)cc1 16955121 RCXTUFYCEFFPMI-UHFFFAOYSA-N 345.384 1.149 10 40 EDCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OC)c1O 59139332 IGOHFTGXDIAPDP-UHFFFAOYSA-N 336.369 1.008 10 40 EDCB O=C(O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1O 13345246 KVAVQUWULXTETA-UHFFFAOYSA-N 337.309 1.620 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc[nH]n3)cc2)C1 55917209 NNLAOGWQIFKGJQ-CYBMUJFWSA-N 327.388 1.041 10 40 EDCB CC[C@H](C)CN/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 2402599 IIRKPHFESYEFHR-HKLRHMNMSA-N 331.372 1.798 10 40 EDCB CO[C@@H]1C=C[C@](CNC(=O)CCn2c(=O)oc3ccccc32)(OC)O1 4121554 QKUDYGDWPFPRCH-RDJZCZTQSA-N 348.355 1.002 10 40 EDCB O=C1NC(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/Nc1ccccc1Cl 17989077 WHMKZDCNZZHVDS-NGPGYTDTSA-N 349.774 1.893 10 40 EDCB CCS[C@H]1[C@@H](N=[N+]=[N-])[C@H](CO)O[C@@H]1n1cnc2c(N)ncnc21 5488192 ADMYBCMIRRAIME-RTFUTRHMSA-N 336.381 1.099 10 40 EDCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OC 59139601 CLGVXRCISUAPPK-UHFFFAOYSA-N 334.397 1.693 10 40 EDCB O=C(O)C(=O)[C@H]1C(=O)C(=O)[C@H](CCc2cccc3ccccc23)C1=O 104141529 BDDHKPIFPIJFSV-ZIAGYGMSSA-N 338.315 1.379 10 40 EDCB O=C(C[C@H]1SC(=S)NC1=O)Nc1cc(C(=O)O)ccc1Cl 34926870 IRZZQHYHTJYOAB-MRVPVSSYSA-N 344.801 1.883 10 40 EDCB O=C(N1CCCCC1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 26244714 CQTBPJVCOHAAGG-UHFFFAOYSA-N 347.415 1.844 10 40 EDCB COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc[nH]3)C2=O)cc1 19597144 RRLHRKUMLPTXEJ-ZROIWOOFSA-N 325.324 1.685 10 40 EDCB COC(=O)C1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)CC1 6759924 BLDDFMJNCBGPLS-ZWKOTPCHSA-N 335.400 1.363 10 40 EDCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NC[C@H]1CCCO1 100149160 GRZJLYNWHJBCAU-MFYHJKBNSA-N 330.344 1.970 10 40 EDCB COc1ccc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 57711666 SDFMYMPFLZZJPT-UHFFFAOYSA-N 330.388 1.752 10 40 EDCB Cc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)o1 4356944 FFMXTRJXIVZHPN-SXPLAPADSA-N 341.366 1.717 10 40 EDCB Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)NC(=S)NC1=O 107586948 HOMNCOFRBXPPKC-UHFFFAOYSA-N 333.388 1.649 10 40 EDCB COCCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1CC(=O)OC 4736917 XFSPMQBEOHVPPJ-LGMDPLHJSA-N 345.399 1.852 10 40 EDCB COc1ccc(-n2nnnc2CNC(=O)c2ccc(F)c(F)c2)cc1 9570366 YAUYFXYTWLSIQP-UHFFFAOYSA-N 345.309 1.879 10 40 EDCB CCCN1C(=O)/C(=C\Nc2ccc(C(=O)OC)cc2)C(=O)NC1=S 102909333 BOPOLDRYCYTRJU-XFXZXTDPSA-N 347.396 1.422 10 40 EDCB COc1cccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 409372972 OPPASYZUNQXOIY-NTEUORMPSA-N 326.308 1.950 10 40 EDCB COC(=O)[C@H](C)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1277219 GRMLJIMPQNOPSF-UKMFXHQASA-N 348.405 1.772 10 40 EDCB C[C@@H]1CN(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 40488029 PCDSPGGCADGHMP-ZIAGYGMSSA-N 341.477 1.538 10 40 EDCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(OC)c1 13343811 HGOHSFZPPZSCSV-WZUFQYTHSA-N 339.394 1.990 10 40 EDCB CCN(CC)c1ccc([N+](=O)[O-])cc1C=C1C(=O)NC(=O)NC1=O 409002039 SCIYTAXVUNLGBG-UHFFFAOYSA-N 332.316 1.190 10 40 EDCB COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O 6483599 CFYMYCCYMJIYAB-UHFFFAOYSA-N 332.264 1.997 10 40 EDCB biogenic,in-vitro CN(C)c1ccc(CNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 18214902 GCFLKDAQCZJXHF-IYBDPMFKSA-N 341.411 1.320 10 40 EDCB CN(CCO)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10435060 BDFNVBKPSRSEAS-UHFFFAOYSA-N 345.376 1.075 10 40 EDCB O=C1/C(=C/NN2CCOCC2)C(O)=NC(=S)N1C1CCCCC1 34237459 HNVLCFOMUOAXBJ-ZRDIBKRKSA-N 338.433 1.123 10 40 EDCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc[nH]c1=O 57365819 KMDIEFRQEXNTGS-UHFFFAOYSA-N 331.347 1.281 10 40 EDCB CC[C@H](C)N1C(=O)/C(=C/NCCCN(CC)CC)C(=O)NC1=S 20326381 WLJQFRZLBMPNMW-OWRWYXLESA-N 340.493 1.234 10 40 EDCB Cn1ncc2c(NCc3ccc(N4CCOCC4)c(F)c3)ncnc21 52457014 IBMGCRYAYMKNTC-UHFFFAOYSA-N 342.378 1.951 10 40 EDCB CN1CC[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O 95948232 WGARJWQDRSWUJL-INIZCTEOSA-N 345.443 1.350 10 40 EDCB COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3cc(O)c(O)cc32)cc1OC 3847450 AKSMAPRNZUUFCR-PXAZEXFGSA-N 345.351 1.803 10 40 EDCB biogenic Cc1ccnc(Sc2ccc(C=C3C(=O)NC(=S)NC3=O)o2)n1 409275238 SVBMDXNAWRVUHP-UHFFFAOYSA-N 346.393 1.444 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccccn3)cc2)C1 55916489 MNDHBHSOOXPCTP-HNNXBMFYSA-N 338.411 1.713 10 40 EDCB Cc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)n2ncnc2n1 12528284 KVHOXCAIBWXSIW-UHFFFAOYSA-N 338.415 1.906 10 40 EDCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374614 MDPVHJGWDFPVIO-HWPCKVLBSA-N 340.382 1.534 10 40 EDCB Cn1c(=O)c(C2=NNC(=O)/C2=C\c2ccccn2)c(O)c2ccccc21 100261008 ZXUJNHKQHBDACB-RAXLEYEMSA-N 346.346 1.557 10 40 EDCB CC(=O)NN1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 13690384 ZJJDRRYVOZYLHR-XFFZJAGNSA-N 330.394 1.882 10 40 EDCB COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1 113833199 SOICTBYBVCGEJT-UHFFFAOYSA-N 339.351 1.852 10 40 EDCB CCCC(=O)N1CCC[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2O)C1 54799206 LCUVBWUEGNOCCU-LBPRGKRZSA-N 349.387 1.955 10 40 EDCB CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(C1)CN(Cc1ccccc1O)C2 514290411 YKQDCROYABYQEE-QZTJIDSGSA-N 345.487 1.353 10 40 EDCB biogenic,in-vitro C[C@H](NC(=O)N[C@H]1CCO[C@H]1C)c1ccc(N2CCN(C)CC2)cc1 95448671 KJVZZCVGGFGIBN-MPGHIAIKSA-N 346.475 1.976 10 40 EDCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1N1CCCC1 408910991 MLTFHEWBIYMNRE-JLHYYAGUSA-N 329.425 1.852 10 40 EDCB CS(C)=C1C(=O)N=C(c2ccc(Br)cc2)OC1=O 5721266 IHUDTRYUBHEBTM-UHFFFAOYSA-N 328.187 1.980 10 40 EDCB CNC(=O)NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 3378118 WMKRLEVCYOASPR-UHFFFAOYSA-N 329.356 1.707 10 40 EDCB CC(C)CS(=O)(=O)CC(=O)NCc1ccc(N2CCCC2)cc1 52807207 ADNHMXSKBLVZTO-UHFFFAOYSA-N 338.473 1.974 10 40 EDCB CN1C(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)N(C)C1=S 573822 FOGDRJYYPHWAHK-UHFFFAOYSA-N 329.425 1.886 10 40 EDCB Cc1nn(-c2ccccc2)c(O)c1C=C1C(=O)N(C)C(=O)N(C)C1=O 4545235 DXPSICLPRWULHL-UHFFFAOYSA-N 340.339 1.320 10 40 EDCB CC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)NC(=O)N[C@]1(O)C(F)(F)F 57531219 SIJKQYATNINFOZ-MBNYWOFBSA-N 345.321 1.563 10 40 EDCB CN1C(=O)C(=CNNc2nc3ccccc3s2)C(=O)N(C)C1=O 4828899 SGJXNCWXQHTNBX-UHFFFAOYSA-N 331.357 1.147 10 40 EDCB COc1ccc(N2CCC[C@]3(C2)CN(S(C)(=O)=O)CCO3)cc1 96074764 XYSOJSBTRVZKGS-INIZCTEOSA-N 340.445 1.326 10 40 EDCB O=C(/C=C/c1ccccn1)NCc1ccc(N2CCNC(=O)C2)cc1 55347652 BBDHZCMICTXPKG-RMKNXTFCSA-N 336.395 1.347 10 40 EDCB COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)cc1 71822564 OINLTLFANCZYHK-AWEZNQCLSA-N 343.427 1.355 10 40 EDCB O=C(CN1CCCNC1=O)NCc1ccc(N2CCCCC2)cc1 84403063 SXJVQJSHURCWDC-UHFFFAOYSA-N 330.432 1.708 10 40 EDCB CCCC(=O)NCC(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1 66661898 YBEPJQNXKCUYHN-UHFFFAOYSA-N 343.431 1.852 10 40 EDCB O=C1/C(=C/c2ccncc2)SC(=S)N1CCS(=O)(=O)O 5520150 HBHHXTGZYXZJOL-CLFYSBASSA-N 330.412 1.171 10 40 EDCB CN(C)c1ccc(CN2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1 100838107 WBLRWQFVVHCCLM-JTOWHCCKSA-N 328.368 1.119 10 40 EDCB COc1ccc(N2CCN(C(=O)N[C@@H](C)Cn3ccnc3)CC2)cc1 65574949 DRZVZVSXAJKMJF-HNNXBMFYSA-N 343.431 1.812 10 40 EDCB CC(=O)Oc1cccc2c1C(=O)c1c(O)cc(C(=O)O)cc1C2=O 34053106 YBGHQNHYFJYUHT-UHFFFAOYSA-N 326.260 1.791 10 40 EDCB in-vitro Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=S)N(C)C1=O 6043983 QUESHJRAIIYIDZ-XYOKQWHBSA-N 347.415 1.991 10 40 EDCB NC(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 46941677 IRGLVPQJTFDIHC-AWEZNQCLSA-N 348.472 1.257 10 40 EDCB CN1C(=O)/C(=C\c2ccc(N3CCCCCC3)o2)C(=O)NC1=S 4470361 HURVNUBCCDEKRW-BENRWUELSA-N 333.413 1.917 10 40 EDCB CNC(=O)CCNC(=O)c1cc(C)n(-c2cccc(OC)c2)c1C 69741301 KXQXYRXAOYGWFT-UHFFFAOYSA-N 329.400 1.969 10 40 EDCB CC[C@@H](C)N1C(=O)/C(=C/Nc2ccc(C(=O)O)cc2)C(=O)NC1=S 20291736 QUAQHVLEEDCGSB-YXYQAXARSA-N 347.396 1.722 10 40 EDCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OC 408912987 JFRPHFWTQGHBJV-XBXARRHUSA-N 340.788 1.614 10 40 EDCB CN(C)c1oc(C=C2C(=O)NC(=S)NC2=O)cc1Br 408857273 FQMWVOKHUFFDAB-UHFFFAOYSA-N 344.190 1.022 10 40 EDCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(C)C1=O 408960545 MQQLWOIVMLTALQ-GXDHUFHOSA-N 329.425 1.852 10 40 EDCB COCCn1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1=O 52587993 WQNQBESRACFTLO-UHFFFAOYSA-N 344.415 1.228 10 40 EDCB O=C1CN(c2ccc(CNC(=O)Nc3nccs3)cc2)CCN1 43160279 JBDXKMPZESJNFR-UHFFFAOYSA-N 331.401 1.401 10 40 EDCB CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(N)=O)cc1 95939637 QWAOHMLNQYYBOB-UHFFFAOYSA-N 334.353 1.495 10 40 EDCB C[C@@H](O)CNC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 95474807 VBPPSSMNTQMGIN-LLVKDONJSA-N 348.358 1.825 10 40 EDCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 13656039 ATVFSAAATHUBBJ-FLIBITNWSA-N 327.252 1.854 10 40 EDCB CC(=O)O[C@H]1[C@@H](CN=[N+]=[N-])OCO[C@H](CN=[N+]=[N-])[C@H]1OC(C)=O 104312780 RZYLMGQKXGXGJZ-DBIOUOCHSA-N 328.285 1.212 10 40 EDCB COc1ccc(N2CCN(C(=O)c3cc(C)nc(OC)n3)CC2)cc1 72240437 UDMCHTMKBXIGAT-UHFFFAOYSA-N 342.399 1.765 10 40 EDCB COc1ccc(N2CCN(C(=O)CSc3ncccn3)CC2)cc1 6589793 XTHQOUPFHQZXIV-UHFFFAOYSA-N 344.440 1.926 10 40 EDCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)cc1O 81010 JPVNFITUUMOHPY-MDWZMJQESA-N 340.360 1.929 10 40 EDCB COCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 46420974 LIEWGSHBXZWVBP-UHFFFAOYSA-N 332.322 1.805 10 40 EDCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccccn1 409230917 GYASBZPCMJCQLZ-UHFFFAOYSA-N 326.381 1.403 10 40 EDCB COc1cc(NC(=O)C[C@H]2SC(=S)NC2=O)cc(OC)c1 34926836 YTRVGYKDNCTZGD-SNVBAGLBSA-N 326.399 1.549 10 40 EDCB COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1O 13343682 PQRRLGSTFNAABF-YHYXMXQVSA-N 325.367 1.687 10 40 EDCB O=C1c2cc(S(=O)(=O)O)ccc2C(=O)c2c1cccc2[N+](=O)[O-] 4428916 CAOPOEWNJFGVEK-UHFFFAOYSA-N 333.277 1.617 10 40 EDCB CCCN1C(=O)/C(=C\Nc2ccc([N+](=O)[O-])cc2)C(=O)NC1=S 6907447 UVRYWZLDMIFTCF-FLIBITNWSA-N 334.357 1.544 10 40 EDCB COc1ccc(-n2nnnc2CNC(=O)Cc2cccs2)cc1 9570401 PKNURKJAEQMAIR-UHFFFAOYSA-N 329.385 1.591 10 40 EDCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NC[C@@H]1CCCO1 13554977 GRZJLYNWHJBCAU-QTNMRXCUSA-N 330.344 1.970 10 40 EDCB CC(=O)Nc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 12379606 KPSZPGHEVZCTFK-WDZFZDKYSA-N 336.394 1.931 10 40 EDCB CC(=O)NN1C(=O)[C@@H](/N=N/c2ccc([N+](=O)[O-])cc2)C(C)=NC1=S 100643927 XIEMDOMVTFHJLN-RJLNKPMYSA-N 348.344 1.686 10 40 EDCB CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nnnn32)cc1 4934496 YVKBNMFNHCBIKQ-HNNXBMFYSA-N 342.403 1.981 10 40 EDCB Cc1nonc1NC1(Nc2nonc2C)C(=O)c2ccccc2C1=O 87908 SUKYHDJYEFNLRY-UHFFFAOYSA-N 340.299 1.369 10 40 EDCB COC(=O)C[C@H]1C[C@@]23O[C@@]2(C(=O)c2c(O)cccc2C3=O)[C@H](C)O1 72320622 IHXLRPOTFALLKF-KRQUVALZSA-N 332.308 1.020 10 40 EDCB biogenic,in-vitro C[C@H](NC(=O)NCc1ccc(N2CCNC(=O)C2)c(F)c1)C1CCC1 95975195 RQSJLYWXENTODL-LBPRGKRZSA-N 348.422 1.750 10 40 EDCB CN1CCN(C2=NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)CC1 27515495 PSTIPCBQLANMSB-JLHYYAGUSA-N 332.385 1.813 10 40 EDCB CCN1C(=O)/C(=C/Nc2ccc(NC(C)=O)cc2)C(=O)NC1=S 8997200 MSZOBRUXTALURC-XYOKQWHBSA-N 332.385 1.204 10 40 EDCB CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 7974984 PEVZMZIOLKXJNJ-JNWWKETESA-N 334.332 1.001 10 40 EDCB CN1C(=N)N(C)C(=O)C(=Cc2cc(Cl)cc(Cl)c2O)C1=O 20518788 WLRYRSLRBUGBHP-UHFFFAOYSA-N 328.155 1.948 10 40 EDCB COc1ccc(OC)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c1 13715007 VHMUNLHTNCYFPB-WDZFZDKYSA-N 339.394 1.990 10 40 EDCB CC(C)CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 5340461 SVSMBJDDKSZQKW-INIZCTEOSA-N 334.464 1.244 10 40 EDCB CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3nnnn32)cc1 4934493 YVKBNMFNHCBIKQ-OAHLLOKOSA-N 342.403 1.981 10 40 EDCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccco1 408956912 ZFUATVNDNKUMJD-YRNVUSSQSA-N 326.264 1.675 10 40 EDCB CN(CCO)c1ccc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc1 7126762 AMTSWBFPFODVQI-INIZCTEOSA-N 336.399 1.561 10 40 EDCB CN(C)c1ccc(CNC(=O)CCc2n[nH]c(=S)[nH]c2=O)cc1 10433386 IAZOXPIFOFAXSN-UHFFFAOYSA-N 333.417 1.142 10 40 EDCB CCCN(Cc1ccccc1O)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 65567078 VDGDMFCKFPIMSF-UHFFFAOYSA-N 345.399 1.449 10 40 EDCB Cc1cc(CNS(=O)(=O)c2ncn(C)c2Cl)ccc1N(C)C 75147488 LRKBSZWYWKDBFU-UHFFFAOYSA-N 342.852 1.926 10 40 EDCB COc1cc(/C=C2\C(=O)N(c3nc(C)cc(=O)[nH]3)N=C2C)ccc1O 16266710 IQYSUIQYMCFAMI-GHXNOFRVSA-N 340.339 1.599 10 40 EDCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC(C)=O 3044998 LXORQJGLHHWUIE-UHFFFAOYSA-N 332.312 1.054 10 40 EDCB O=C1NC(=S)NC(=O)C1=CNc1ccc(Cl)cc1[N+](=O)[O-] 60860978 XJOQCLPXGQNSLE-UHFFFAOYSA-N 326.721 1.075 10 40 EDCB COc1ccc(N/C=C2/C(=O)N(c3ccc4nncn4n3)N=C2C)cc1 101647155 ULAWTACJNQFRMY-NTEUORMPSA-N 349.354 1.851 10 40 EDCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/NCCN(C)C)C2=O)cc1 19996855 AKWDWLKYRIHCRS-PTNGSMBKSA-N 344.415 1.428 10 40 EDCB CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 409391107 HEDXDRBHAZTDBD-PTNGSMBKSA-N 336.351 1.814 10 40 EDCB CN1CCN(C2=CC=NC3=S=C(c4ccccc4)C(=O)N23)CC1 1554503000 ALJPGKCJACHCMZ-UHFFFAOYSA-N 326.425 1.043 10 40 EDCB COc1ccc(N(C)CC(=O)NC2CCN(C(C)=O)CC2)cc1OC 58200937 QLOBSFAXBJOOHB-UHFFFAOYSA-N 349.431 1.267 10 40 EDCB O=C1N=C(O)N(Cc2ccco2)C(=O)/C1=C/NN1CCCCCC1 6926640 UDMWEEXJFYRUKP-JLHYYAGUSA-N 332.360 1.327 10 40 EDCB O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(O)c(O)c2)C1 95997762 JHISTYPAWHATEN-CYBMUJFWSA-N 341.367 1.984 10 40 EDCB COC(=O)N[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C 96404853 RZDHGZCQBOOVSC-MRXNPFEDSA-N 349.431 1.724 10 40 EDCB O=C1C(=O)[C@@H]([C@@H]2C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 231402342 HWZMMHFVOCAUNC-KBPBESRZSA-N 346.294 1.515 10 40 EDCB CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C)C2=O)cc1F 96415499 GMXLELLVQSNSLL-AWEZNQCLSA-N 336.411 1.702 10 40 EDCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 5032505 PRYWRYCMZXFHEH-XFFZJAGNSA-N 345.242 1.993 10 40 EDCB COc1ccc2nc3ccccc3c(NCCNC[C@H](O)CO)c2c1 6484897 GKTPLLTYQYJTJK-ZDUSSCGKSA-N 341.411 1.751 10 40 EDCB Cc1cc(=O)oc2c(CN[C@@]3(C)CCS(=O)(=O)C3)c(O)ccc12 9485097 BEYQGYHNQVCZCN-INIZCTEOSA-N 337.397 1.474 10 40 EDCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(C)ccc1O 103518909 IRIPQQUIJHENDB-YFBAIUBQSA-N 349.412 1.402 10 40 EDCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/NC1CCCC1 75261101 GSXIKHWDNPENNC-PKNBQFBNSA-N 333.388 1.990 10 40 EDCB Cc1ccc(C)c(N2C(=O)/C(=C\NCCN(C)C)C(=O)NC2=S)c1 20463808 ALUDKYBZWHDYRH-RAXLEYEMSA-N 346.456 1.086 10 40 EDCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\N1CCOCC1 104232222 GLXLFVKQDIGDCI-XFXZXTDPSA-N 335.747 1.139 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCOC3)cc2)C1 58412746 MUVLWVLGEWBJEI-GJZGRUSLSA-N 331.416 1.041 10 40 EDCB C[C@@H]1CN(c2ccc(CNC(=O)C3(C(N)=O)CC3)cc2F)C[C@@H](C)O1 69662254 CDMJXCTUZKRYLD-VXGBXAGGSA-N 349.406 1.321 10 40 EDCB COc1ccc(N2CCN(CNC(=O)c3cccnc3)CC2)cc1 19723383 FTCMXBWWBNRZBH-UHFFFAOYSA-N 326.400 1.600 10 40 EDCB O=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(O)c21 5390024 ODQHMLBNJHJVIM-UHFFFAOYSA-N 326.352 1.161 10 40 EDCB O=C(O)CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)SC1=S 4942278 HTHQDHPDPQMZLP-ALCCZGGFSA-N 328.327 1.864 10 40 EDCB CN1CCN(C2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)CC1 33155025 RRNSVDBLPXFNEG-NTCAYCPXSA-N 330.457 1.970 10 40 EDCB O=C(Cc1nnc2ccccc2n1)N1CCN(Cc2ccccc2)CC1 16479818 ZZOGVRABUXPAQA-UHFFFAOYSA-N 347.422 1.912 10 40 EDCB Cc1ccc(-n2nc(C)c(C=C3C(=O)NC(=O)NC3=O)c2C)c(C)c1 408994660 HAGMYNHGHPEJFH-UHFFFAOYSA-N 338.367 1.855 10 40 EDCB CCOc1cc2c(cc1C=C1C(=O)NC(=S)NC1=O)C[C@@H](C)O2 256055717 QOTMATABWTVVME-MRVPVSSYSA-N 332.381 1.323 10 40 EDCB CN(C)CCNC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 4745893 XXPGQULOAIRXBR-RAXLEYEMSA-N 349.481 1.809 10 40 EDCB O=C1NC(=S)NC(=O)C1=C/C=C/c1coc2ccc(F)cc2c1=O 554366 GRFDNEXDISOBBA-OWOJBTEDSA-N 344.323 1.403 10 40 EDCB O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C\NCCO 5889324 NEYVSUQSVREPSE-RAXLEYEMSA-N 341.392 1.053 10 40 EDCB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(O)c(O)c1 28924387 WXRHFKAHNWUCEP-KRWDZBQOSA-N 341.367 1.435 10 40 EDCB Cc1n[nH]c(SCC(=O)NCc2ccc3c(c2)CCCN3C)n1 73132691 OUUSMFWRLWBDGT-UHFFFAOYSA-N 331.445 1.904 10 40 EDCB O=S1(=O)N[C@@H]2CN(Cc3ccccc3O)C[C@@H]2Oc2ccccc21 514289416 KLOADSRRJZYTRJ-CJNGLKHVSA-N 346.408 1.316 10 40 EDCB biogenic,in-vitro O=C(NCc1cccc(O)c1O)Nc1cnn(C[C@H]2CCCO2)c1 1615615088 SKWPJNYUAIHFTM-CYBMUJFWSA-N 332.360 1.795 10 40 EDCB Cn1nnc2c1CC[C@H](NC(=O)NCc1cccc(Cl)c1O)C2 1521671351 DERJQAGFQMIJOI-JTQLQIEISA-N 335.795 1.531 10 40 EDCB CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N(C)C)C(=O)N(C)C1=O 5128352 MSGDQRRMYJBJNJ-UHFFFAOYSA-N 332.316 1.095 10 40 EDCB Nc1c(C(=O)N2CCOCC2)ccc2c1C(=O)c1ccccc1C2=O 4817151 ZPBRKCMESJNHGV-UHFFFAOYSA-N 336.347 1.517 10 40 EDCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(O)cc1 408997617 SAXRYELUWRQBRW-DHDCSXOGSA-N 339.351 1.891 10 40 EDCB COC(=O)NS(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1 5511030 BNDZHTBREHUQBN-FYWRMAATSA-N 328.350 1.062 10 40 EDCB CCCCN1C(=O)[C@@H]2[C@H](c3ccccc3O)N[C@@](C)(C(=O)O)[C@@H]2C1=O 19848802 CKKSMJUTOODXSR-WZTLGTBRSA-N 346.383 1.281 10 40 EDCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N)SC1=S 584905801 URMANJNMAUYYOL-ZGSOTFDTSA-N 336.438 1.821 10 40 EDCB COc1cc(O)cc2c1C(=O)c1c(O)cc(C[C@H](C)O)cc1C2=O 2048392600 UDGPOMVMLXQVQR-QMMMGPOBSA-N 328.320 1.805 10 40 EDCB CC(C)NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C 13008706 LYCAXPYIQZELFG-KRWDZBQOSA-N 346.475 1.313 10 40 EDCB CCOc1cc(Br)cc(C=C2C(=O)NC(=O)NC2=O)c1 408867113 IUXDYSUZDAHTDG-UHFFFAOYSA-N 339.145 1.597 10 40 EDCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C\Nc1ccc2c(c1)CCC2 101043722 AAYKVUODZLNHFE-ZROIWOOFSA-N 327.409 1.877 10 40 EDCB CN1C(=O)/C(=C/c2ccc(Br)s2)C(=O)NC1=S 2122297 DHXHBTASCMMTSD-GQCTYLIASA-N 331.216 1.767 10 40 EDCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NCCN1CCCCC1 100758442 GOOQRUBLUDRSQI-SQFISAMPSA-N 342.399 1.229 10 40 EDCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCS(=O)(=O)O 4291562 SQDXDXYMKRCTCF-YFHOEESVSA-N 347.414 1.915 10 40 EDCB CCCC(=O)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OC 5614668 QJGUYPABGXHWRY-UHFFFAOYSA-N 348.380 1.315 10 40 EDCB COc1ccc(N2C(=O)NC(=O)/C(=C/NN3CCCCC3)C2=O)cc1 19949148 CXSIMXOGPCROGO-KAMYIIQDSA-N 344.371 1.152 10 40 EDCB CN1C(=O)N=C(O)/C(=C\NN2CCCC[C@H]2c2cccnc2)C1=O 8974751 ZIFUSARHMMUVJC-XSNHNAGMSA-N 329.360 1.546 10 40 EDCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(N)=O 9188396 HTJMPZBNEMJMBO-WDZFZDKYSA-N 338.410 1.390 10 40 EDCB COc1cc(/C=C2/SC(=S)N(NC(N)=O)C2=O)ccc1O 2798747 PPPRCNXKMQMBIU-WEVVVXLNSA-N 325.371 1.185 10 40 EDCB O=C1/C(=C/c2ccccc2)SC(=S)N1N1C(=O)[C@@H]2C[C@H]2C1=O 100939320 UQFVECUAHPNBRR-GETOITAFSA-N 330.390 1.808 10 40 EDCB CCN(CC)CCCN/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 2425690 MOZJLAOQRUIXCN-SDNWHVSQSA-N 348.403 1.063 10 40 EDCB CNC(=O)CSc1ncc(-c2ccc(C)cc2)n1CC(=O)OC 44085976 RIQXCMCDPDVIPT-UHFFFAOYSA-N 333.413 1.870 10 40 EDCB CN1N[C@H](c2ccccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 19171825 KJRVQVYKOJDMLE-BRWVUGGUSA-N 337.379 1.437 10 40 EDCB O=C1N=C(NCCCO)S/C1=C1\C(=O)Nc2ccc(Cl)cc21 256055502 JEFDJYWNGDKGCH-KHPPLWFESA-N 337.788 1.605 10 40 EDCB Nc1nonc1/N=N/N(Cc1ccc(Cl)cc1)c1nonc1N 12429206 FWOFILGRKJHCTO-HMMYKYKNSA-N 335.715 1.976 10 40 EDCB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)C(=O)N(C)C1=O 575443079 UMUPXQSEGOYGIM-LCYFTJDESA-N 346.339 1.364 10 40 EDCB CN(C)c1ccc(CN2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 100018569 WBLRWQFVVHCCLM-FSZRXZPDSA-N 328.368 1.119 10 40 EDCB CN1CCCc2cc(/C=C/C(=O)NCCN3CCOCC3)ccc21 58378460 WLFIUGKMEGEAGC-FNORWQNLSA-N 329.444 1.531 10 40 EDCB O=C1NC(=S)N(C2CCCCC2)C(=O)/C1=C\NN1CCCCC1 6690991 YONJYNNFTHJMOO-QBFSEMIESA-N 336.461 1.437 10 40 EDCB COc1cc(Br)cc([C@H]2N[C@H](C(=O)O)CS2)c1O 33486980 JYCPRAFSYOAQHG-XVKPBYJWSA-N 334.191 1.952 10 40 EDCB Cc1cc(C)cc(N2C(=O)/C(=C\NCCN(C)C)C(=O)NC2=S)c1 20463070 BERIRGLHQHBCLY-UVTDQMKNSA-N 346.456 1.086 10 40 EDCB CN1C(=O)C(=Cc2ccc(Br)o2)C(=O)N(C)C1=S 105178 WWFIKMQFYVUMSI-UHFFFAOYSA-N 329.175 1.641 10 40 EDCB COc1ccc2c(c1)CCCN2CC(=O)NC1CCN(C(C)=O)CC1 44074239 HXBZXPYIMNIBEY-UHFFFAOYSA-N 345.443 1.575 10 40 EDCB O=C1N=C(O)/C(=C/NN2CCOCC2)C(=O)N1CCC1=CCCCC1 34237106 MWMIYEUUPMLKOF-OWBHPGMISA-N 348.403 1.516 10 40 EDCB Cc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 41077736 LCXBOSVGVRPBKX-DDADGOEASA-N 348.409 1.616 10 40 EDCB Cc1cc(C(=O)O[C@H](C)C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 44968245 DLKUIHWPXIMRLY-GFCCVEGCSA-N 344.367 1.896 10 40 EDCB CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C 69593511 PRBTWWWCLMYWTM-INIZCTEOSA-N 347.484 1.997 10 40 EDCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCO[C@H](C(N)=O)C2)c1 65487723 KXBVCVLBDQIDLP-KRWDZBQOSA-N 341.411 1.729 10 40 EDCB CN1N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 170621062 KJRVQVYKOJDMLE-YESZJQIVSA-N 337.379 1.437 10 40 EDCB O=C1NC(=S)NC(=O)C1=CNc1cccc(Br)c1 5886340 ICJPREKWWIJTOF-UHFFFAOYSA-N 326.175 1.276 10 40 EDCB CC(=O)NC1=NC(=O)/C(=C2\C(=O)N(C(C)=O)c3ccccc32)S1 17180986 DJCDBKUJPRKORV-VAWYXSNFSA-N 329.337 1.056 10 40 EDCB CN1CCCc2cc(/C=C/C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc21 61134430 SHFZVRLJROMRKM-KEDPEKRHSA-N 334.441 1.386 10 40 EDCB Cc1cc(CNC(=O)Nc2cnn(CC(N)=O)c2)ccc1N(C)C 72305991 GWBKOSZDZWCLHG-UHFFFAOYSA-N 330.392 1.065 10 40 EDCB CC(C)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733476 FINFLZFKRNMMHG-GOSISDBHSA-N 331.460 1.824 10 40 EDCB O=C1/C(=C\NN2CCOCC2)C(C(F)(F)F)=NN1c1ccccc1 100329272 NAPPJXLPFQLCCF-BENRWUELSA-N 340.305 1.672 10 40 EDCB CN1CCCc2cc(CNC(=O)CCN3C(=O)CCC3=O)ccc21 58210462 IRWQVXYYLKQWBE-UHFFFAOYSA-N 329.400 1.224 10 40 EDCB COC(=O)/C=C1\SC(NC(=O)c2ccc([N+](=O)[O-])cc2)=NC1=O 4616822 UTODPWYRIGEOFQ-TWGQIWQCSA-N 335.297 1.011 10 40 EDCB C[C@H](C(=O)O)n1ccc2cc(C=C3C(=O)NC(=O)NC3=O)ccc21 4703702 PVAGDPLBCSFOTA-MRVPVSSYSA-N 327.296 1.036 10 40 EDCB O=C1/C(=C\c2ccncc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 4718554 PHPRQMHXHIMMIV-VUBLIPMDSA-N 340.451 1.470 10 40 EDCB CCN(CC)CCN/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 2309195 KJHNBYBPLKUVEH-OWBHPGMISA-N 330.388 1.085 10 40 EDCB COc1ccc(N2CCN(c3cc(=O)n4c(n3)SCC4)CC2)cc1 5265515 AZJBOFNMVOHVBQ-UHFFFAOYSA-N 344.440 1.684 10 40 EDCB O=C(O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O 408587780 AFRQFHPFQYWUJV-UKTHLTGXSA-N 347.346 1.793 10 40 EDCB Cc1cc(N2CCOCC2)ccc1CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C 19570607 STXRSMVVOYRBTR-PWIZWCRZSA-N 345.487 1.471 10 40 EDCB C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCN(C)CC2)cc1 56336559 ZEMIPNFVDDVOSI-GDBMZVCRSA-N 344.459 1.094 10 40 EDCB CN(C)c1ccc(CNC(=O)c2cccc(-n3cnnn3)c2)cc1F 65592699 JTKGVNWVSUZUIA-UHFFFAOYSA-N 340.362 1.797 10 40 EDCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccncc1 408594090 SCCRIUIAMNDJSF-RIYZIHGNSA-N 340.339 1.466 10 40 EDCB O=C1N=C(N2CCOCC2)S/C1=C\c1cc([N+](=O)[O-])ccc1O 15401608 OQHWEIDRXNFABU-WQLSENKSSA-N 335.341 1.603 10 40 EDCB CC(C)OCCS(=O)(=O)NCc1ccc2c(c1)CCCN2C 96451035 IGHJHVHGYKXGOT-UHFFFAOYSA-N 326.462 1.913 10 40 EDCB Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1SC(=S)NC1=O 34926857 PLZDXLVVOGRLBG-VIFPVBQESA-N 325.371 1.748 10 40 EDCB COc1ccc(N2CCN([C@H]3CC(=O)N(C4CC4)C3=O)CC2)cc1 24572734 IWHVCYTZSYQQPO-INIZCTEOSA-N 329.400 1.107 10 40 EDCB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cn2cnnn2)cc1 71799921 CRMNWNBFTLUQBI-UHFFFAOYSA-N 342.325 1.330 10 40 EDCB COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 408886777 IZPTYKVGTXEDJZ-UHFFFAOYSA-N 331.180 1.916 10 40 EDCB NS(=O)(=O)c1cccc(NC(=O)CSc2nccs2)c1 44834188 RDRZCPPECGCKDV-UHFFFAOYSA-N 329.428 1.521 10 40 EDCB CN(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cn1 56199676 NZRGHZCBOSCNTO-UHFFFAOYSA-N 340.427 1.914 10 40 EDCB COc1ccc2nc(NC=C3C(=O)NC(=S)NC3=O)sc2c1 5514544 ZHOVDAZTXOIZLE-UHFFFAOYSA-N 334.382 1.132 10 40 EDCB COCCN1CCCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 32934688 XCZBJRWVXGSBGH-UHFFFAOYSA-N 334.464 1.616 10 40 EDCB Cc1oc2c(c1C(=O)N1CCN(C)CC1)C(=O)c1ccccc1C2=O 53166374 ZXQQHDJETQMAEP-UHFFFAOYSA-N 338.363 1.751 10 40 EDCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@H]1[N+](=O)[O-] 57176611 COKCDDFRKDCDQJ-DOMZBBRYSA-N 337.351 1.068 10 40 EDCB O=C1CN(c2ccc(CNC(=O)Nc3ccncc3)cc2)CCN1 46984557 AFFZTXIHKWXBFE-UHFFFAOYSA-N 325.372 1.340 10 40 EDCB CCN1C(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)N(CC)C1=S 36142755 WKPQENHUCQCWKQ-UHFFFAOYSA-N 349.368 1.679 10 40 EDCB CC(=O)NN1C(=O)[C@@H](N=Nc2ccc([N+](=O)[O-])cc2)C(C)=NC1=S 245241097 XIEMDOMVTFHJLN-NSHDSACASA-N 348.344 1.686 10 40 EDCB O=C1N=C(O)/C(=C\NN2CCCCC2)C(=O)N1Cc1ccccc1 1297007 ZFAWUIAJTOAOBL-SDNWHVSQSA-N 328.372 1.980 10 40 EDCB O=C(C1CCCC1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 30003322 BZVSOZDWLSQSDD-UHFFFAOYSA-N 332.400 1.955 10 40 EDCB COc1ccc(N2CCCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)cc1 55878291 IDGXEYPFMOLOEW-HNNXBMFYSA-N 345.443 1.602 10 40 EDCB Cn1cccc1/C=C1/SC(=S)N([C@H](CC(=O)O)C(=O)O)C1=O 27229477 ATTLQCXMUVMLOD-CBVZUMJXSA-N 340.382 1.154 10 40 EDCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccncc2)SC1=S 1826915 TUUIBVDOMQVQRI-HXOPTJOXSA-N 338.366 1.211 10 40 EDCB O=C1CN(c2ccc(CNC[C@@H]3CCCn4ccnc43)cc2)CCN1 89787899 ZFKSWWJBEIANMJ-INIZCTEOSA-N 339.443 1.487 10 40 EDCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\N1CCOCC1 104232202 AEUPMSJUXKXVPU-XFXZXTDPSA-N 335.747 1.139 10 40 EDCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCO 103917694 LINPNMRJAFTTKO-PTNGSMBKSA-N 332.360 1.953 10 40 EDCB CC(C)N(C)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 71837376 XYXVARHVLWVWAO-INIZCTEOSA-N 346.475 1.345 10 40 EDCB COc1ccc(OC)c(/C=C2\SC(N3CCN(C)CC3)=NC2=O)c1 19809569 XJAIOEJCPCHSEJ-PTNGSMBKSA-N 347.440 1.922 10 40 EDCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OC(=O)c2ccco2)cc1 3141079 NVHHOLMFKRSLBF-UHFFFAOYSA-N 342.332 1.413 10 40 EDCB CNC(=O)[C@H]1CN(c2ccc(OC)cc2)CCN1c1cc(C)ncn1 72361529 SQKQJSBTTQIPCH-MRXNPFEDSA-N 341.415 1.235 10 40 EDCB CN(C)C(=O)[C@]1(n2ccnc2)CCCN(Cc2ccc(F)cc2O)C1 2055771686 QTGHBGLGWULLGW-SFHVURJKSA-N 346.406 1.807 10 40 EDCB O=C(OCCOC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 202705328 RMYREZLDCMGOQD-UHFFFAOYSA-N 334.280 1.523 10 40 EDCB O=C1CN(c2ccc(CNC(=O)c3c(F)cccc3F)cc2)CCN1 40519945 ZRAGTMUWUAUVLG-UHFFFAOYSA-N 345.349 1.831 10 40 EDCB CCCCCCN1C(=O)NC(=O)/C(=C/N[C@@H]2CCCC[C@@H]2N)C1=O 102475653 MIKUAYLWFXGCHG-BFPJXGRPSA-N 336.436 1.389 10 40 EDCB CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)o1 31580712 FTEFYYDFMJFOEU-UHFFFAOYSA-N 337.401 1.184 10 40 EDCB CCOC(=O)N1CCN(Cc2cc(=O)oc3c(O)c(O)ccc23)CC1 20609848 WMVRWIQWDMOQTG-UHFFFAOYSA-N 348.355 1.478 10 40 EDCB biogenic CN(C)C(=O)CN(Cc1cc2c(cc1O)OCO2)CC(F)(F)F 54492574 HTWUVYNCERCJFU-UHFFFAOYSA-N 334.294 1.573 10 40 EDCB CC[C@@H](C)N1C(=O)/C(=C/Nc2cccc(C(=O)O)c2)C(=O)NC1=S 9358736 WLIXYTUYCDWULI-YXYQAXARSA-N 347.396 1.722 10 40 EDCB Fc1cc(CNC[C@@H]2CN(C3CC3)CCO2)ccc1N1CCOCC1 71880876 ARFWEGYXSVILSM-QGZVFWFLSA-N 349.450 1.615 10 40 EDCB CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(C)C2=O)cc1F 96415498 GMXLELLVQSNSLL-CQSZACIVSA-N 336.411 1.702 10 40 EDCB Nc1ccc(OCCC[n+]2ccc(CCS(=O)(=O)O)cc2)cc1 3040234 SGBWBKNIDTXDRE-UHFFFAOYSA-O 337.421 1.456 10 40 EDCB COC(CN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C)OC 103916060 YCJLDZQRWMDOFJ-GDNBJRDFSA-N 348.359 1.800 10 40 EDCB CCN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)C(C(=O)OC)=C1C 59959592 BNFPTBRADJXOBB-ZROIWOOFSA-N 344.367 1.243 10 40 EDCB OCc1nnc2n1CCN(Cc1ccc(N3CCCC3)c(F)c1)C2 57822752 GUZMIQPKLVURNX-UHFFFAOYSA-N 331.395 1.526 10 40 EDCB COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(OC)c1C 408965374 KWQVZHFLFAHYIH-UHFFFAOYSA-N 334.397 1.611 10 40 EDCB CCN(Cc1ccccc1O)C[C@]1(C)Cc2c(N)nc(N)nc2O1 257296634 RDQZQFMTAJVSIQ-KRWDZBQOSA-N 329.404 1.562 10 40 EDCB CCOC(=O)[C@@H]1[C@H](c2ccccc2O)NC(=O)N[C@@]1(O)C(F)(F)F 13133157 DMBBIGPNGBWBPX-KWBADKCTSA-N 348.277 1.176 10 40 EDCB CN1CCCc2cc(CNc3ncc(S(N)(=O)=O)s3)ccc21 69486624 ZBTFCVOEEARVBP-UHFFFAOYSA-N 338.458 1.785 10 40 EDCB O=C1N=C(O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1 9087574 RFTAPWGRSOROLL-UHFFFAOYSA-N 326.268 1.975 10 40 EDCB Cc1cc(C(=O)NCCNC(=O)C2CC2)c(C)n1-c1ccccn1 73744238 XVINXSMIABAUPI-UHFFFAOYSA-N 326.400 1.745 10 40 EDCB Cn1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)c1 5374000 MRJWIUBJEKUUMN-DHFUWRPHSA-N 340.382 1.154 10 40 EDCB CCN(CC)CCN/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 100099742 QVZBWCCBGQIKBU-WYMLVPIESA-N 344.415 1.393 10 40 EDCB COC(=O)c1ncn(CN2CCCN(c3ccc(OC)cc3)CC2)n1 58281182 WSURAOYURODWNA-UHFFFAOYSA-N 345.403 1.243 10 40 EDCB COc1ccc(N2CCCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)cc1 55877716 IMBKKIQOHJZAEN-GOSISDBHSA-N 345.443 1.745 10 40 EDCB Nc1ccc(CN(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575419886 AENYQCQQQVWABG-SJORKVTESA-N 332.425 1.433 10 40 EDCB O=C1/C(=C\C=C\c2ccco2)SC(=S)N1CCS(=O)(=O)O 5371602 GDMOTXCRNSOMBD-MZCGDCDISA-N 345.423 1.925 10 40 EDCB COc1ccc(N2CCN(C(=O)CSc3nccn3C)CC2)cc1 6360688 LJEAGCLQDMUEFP-UHFFFAOYSA-N 346.456 1.870 10 40 EDCB COC(=O)C[C@@H](c1cc(O)c(O)c(OC)c1)c1c(O)cc(C)[nH]c1=O 79191540 RQHNNIIXNBIZQR-JTQLQIEISA-N 349.339 1.504 10 40 EDCB biogenic O=C(O)c1nc(/N=N\c2ccc(S(=O)(=O)O)cc2)[nH]c1C(=O)O 104041099 OWXHZQOFBPBHNX-PFONDFGASA-N 340.273 1.468 10 40 EDCB Cc1ccnc(Sc2ccc(C=C3C(=O)NC(=O)NC3=O)o2)n1 409274733 XDXUWMRJOWIMNG-UHFFFAOYSA-N 330.325 1.279 10 40 EDCB COc1ccc(N/C=C2/C(=O)NC(=O)N(C(C)(C)C)C2=O)c(OC)c1 9460952 MILXZWCWDDYBCP-LUAWRHEFSA-N 347.371 1.877 10 40 EDCB CN(C)CCCN/C=C1\C(=O)N(Cc2ccc(F)cc2)C(=O)N=C1O 103115445 RVUDKJZDMOTXDC-UVTDQMKNSA-N 348.378 1.670 10 40 EDCB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccn(C)n2)cc1 77726104 ZTYAQKYPFBOBDU-UHFFFAOYSA-N 329.404 1.521 10 40 EDCB COc1ccc(/C=C/C(=O)NN2C(=O)CSC2=S)cc1OC 1236488 PZRRDOQLHHSXEG-GQCTYLIASA-N 338.410 1.609 10 40 EDCB CCCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733250 SOAYHBVSCWKTDH-SFHVURJKSA-N 331.460 1.969 10 40 EDCB COC(=O)[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCO1 75582763 PLOBDZWJKLJHFB-INIZCTEOSA-N 347.415 1.152 10 40 EDCB CN1C(=O)C(=Cc2cc3c4c(c2)CCCN4CCC3)C(=O)N(C)C1=O 5156760 HDLQXCGEJYXVNB-UHFFFAOYSA-N 339.395 1.819 10 40 EDCB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\c3ccco3)C2=O)c1 13552329 TXXVFQBQMFDVHP-XYOKQWHBSA-N 342.307 1.963 10 40 EDCB COc1ccc(N(Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C2CC2)cc1 69898351 SDXDMLGFJOJEMY-ZDUSSCGKSA-N 343.427 1.898 10 40 EDCB OCC1CCN(c2ccc(CNc3ccc4nncn4n3)cc2)CC1 48345581 GFIPLEPUDZXQPZ-UHFFFAOYSA-N 338.415 1.945 10 40 EDCB CCc1ccc(/C=C2\SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc1 5373527 IJKDBYOZWNOADC-ZWIPKHHJSA-N 337.422 1.896 10 40 EDCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(F)c1 13653991 GLGPLMMGQCXRKY-IAOKNECISA-N 337.376 1.527 10 40 EDCB Cc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)on1 55916793 XWJQCMSHGWBCPT-CQSZACIVSA-N 342.399 1.615 10 40 EDCB NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)ccc1O 32907221 CTXWDQJCYIBKQM-HNNXBMFYSA-N 331.759 1.780 10 40 EDCB CCN(CCO)c1ccc(N/C=C2/C(=O)N=C(S)N(C)C2=O)cc1 102514021 ZHPCJTWSSRYJIR-RAXLEYEMSA-N 348.428 1.085 10 40 EDCB COc1ccc(/C=C2\SC(=S)N(NC(C)=O)C2=O)c(OC)c1 3286294 AMIJYZVZIJXMKO-SDQBBNPISA-N 338.410 1.956 10 40 EDCB c1cc(N2CCSCC2)ccc1CNc1cncc2nnnn12 69179868 LMPASKZDWVRXLX-UHFFFAOYSA-N 327.417 1.685 10 40 EDCB COc1ccc(CN2CC[C@@H](CO)N(C)c3cccnc3C2)c(O)c1 225496150 DYALQQYDTHOQJA-HNNXBMFYSA-N 343.427 1.999 10 40 EDCB biogenic,in-vitro COCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(O)c(O)c1 10272204 JIHXNWGWPVSGRW-AWEZNQCLSA-N 346.343 1.168 10 40 EDCB COc1cccc(CNC(=O)C(=O)Nc2cccc(F)c2F)c1O 77837663 FQUGVVMRRSEQQM-UHFFFAOYSA-N 336.294 1.934 10 40 EDCB O=C1NC(=S)NC(=O)C1=CNc1nc(-c2ccc(F)cc2)cs1 17156757 XXENZZJLNPGCHS-UHFFFAOYSA-N 348.384 1.776 10 40 EDCB Cc1ccc(C)c(N2C(=O)/C(=C/NCCN(C)C)C(=O)NC2=S)c1 101195498 ALUDKYBZWHDYRH-JLHYYAGUSA-N 346.456 1.086 10 40 EDCB CCOC(=O)c1oc2ccccc2c1NC=C1C(=O)NC(=O)NC1=O 8477222 XTOMQQLYZSJJDG-UHFFFAOYSA-N 343.295 1.271 10 40 EDCB Cc1cc(C)n2nc(N)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2n1 4666085 BMLHDTRCGQCDPM-VHEBQXMUSA-N 345.388 1.991 10 40 EDCB O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C/NCCO 97967673 NEYVSUQSVREPSE-JLHYYAGUSA-N 341.392 1.053 10 40 EDCB Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccn1 44915095 USYJEYIDUAYUDD-ZDUSSCGKSA-N 333.413 1.406 10 40 EDCB O=C(NCCn1ccnc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 43311886 NQZIGKRMPUGDJB-INIZCTEOSA-N 344.415 1.980 10 40 EDCB C[C@H](O)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 107338086 XIGAWEMXXRNEFL-RWMBFGLXSA-N 339.411 1.619 10 40 EDCB CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2O)CC1 58289697 BXEUUBZDYZPQLL-UHFFFAOYSA-N 340.445 1.412 10 40 EDCB CN(C)c1cccc(N/C=C2/C(=O)NC(=S)N(C3CC3)C2=O)c1 8968821 NQOVBVIUKACVJY-LCYFTJDESA-N 330.413 1.454 10 40 EDCB COc1ccc(-n2nnnc2CNC(=O)c2cccc(F)c2)cc1 9570362 GZTFGYKWJQKVAT-UHFFFAOYSA-N 327.319 1.740 10 40 EDCB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)/C=C/c1ccc(N(C)C)cc1 95957514 KROJOKOTJBECFK-MOVUHUBBSA-N 332.400 1.555 10 40 EDCB O=C1c2ccccc2C(=O)c2c1c(C(=O)NCCO)c1ccccn21 95477813 HNQRFCHRXXOZPY-UHFFFAOYSA-N 334.331 1.437 10 40 EDCB CC(C)CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 5340463 SVSMBJDDKSZQKW-MRXNPFEDSA-N 334.464 1.244 10 40 EDCB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCc1ccc3c(c1)OCO3)C(=O)C2=O 100621906 MXHSZFFTAFNBDI-RTBURBONSA-N 343.379 1.996 10 40 EDCB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(O)c(O)c1 28924388 WXRHFKAHNWUCEP-QGZVFWFLSA-N 341.367 1.435 10 40 EDCB O=C(O)C1=C[C@@H](c2ccccc2O)n2nc(C(F)(F)F)nc2N1 102335916 GPRHXPLGQSSDDO-QMMMGPOBSA-N 326.234 1.986 10 40 EDCB CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 7020389 ANXUJMTZQKVNIV-UHFFFAOYSA-N 344.371 1.481 10 40 EDCB CCCCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 55339651 RRERURWRKADXJA-HNNXBMFYSA-N 332.448 1.988 10 40 EDCB C[C@H]1CN(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 40488028 PCDSPGGCADGHMP-KBPBESRZSA-N 341.477 1.538 10 40 EDCB COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3cc(O)c(O)cc32)cc1OC 3847449 AKSMAPRNZUUFCR-SJKOYZFVSA-N 345.351 1.803 10 40 EDCB biogenic CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccccc1O 48325491 PPQFQBKWFRPZSP-QGZVFWFLSA-N 325.368 1.729 10 40 EDCB CN(C)CCCN/C=C1/C(=O)N=C(S)N(c2ccccc2)C1=O 103089966 VZZUOVVMFXAVAL-QBFSEMIESA-N 332.429 1.271 10 40 EDCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2cc(C)on2)cc1 12514547 ZMGRUEIQQAHRAH-UHFFFAOYSA-N 332.360 1.312 10 40 EDCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)cc1 57289876 WXQUYOYADXVFKN-KRWDZBQOSA-N 331.416 1.355 10 40 EDCB CCOC(=O)C1=C(C)NC(N[N+](=O)[O-])=N[C@H]1c1ccc(N(C)C)cc1 33703626 RRHDBRYTCIOCCA-AWEZNQCLSA-N 347.375 1.371 10 40 EDCB COc1ccc(N2CCCN(C(=O)C3=NN(C)C(=O)CC3)CC2)cc1 55877919 YMUKZPTWGCYNMF-UHFFFAOYSA-N 344.415 1.342 10 40 EDCB Cc1c(C(=O)O)cccc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1 5006717 KLAFCIPTKLJLTA-UHFFFAOYSA-N 340.291 1.703 10 40 EDCB COc1ccc(-n2nnnc2CNC(=O)c2c(F)cccc2F)cc1 9570364 XZEQNSPLVZJTDY-UHFFFAOYSA-N 345.309 1.879 10 40 EDCB COCCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 57423705 YMZNXZIFHCKIAT-UHFFFAOYSA-N 335.448 1.731 10 40 EDCB Cc1cc(C(=O)N2CCN(C[C@H](C)O)CC2)c(C)n1-c1ccccn1 71871199 WYISZULFLNAQOO-HNNXBMFYSA-N 342.443 1.628 10 40 EDCB COc1ccc(N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)cc1 75118826 BUZOQNSPQKIKRC-UHFFFAOYSA-N 327.384 1.654 10 40 EDCB O=C1NCCN1[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 92188666 WMHQEMNUJFRDFK-SFHVURJKSA-N 344.459 1.513 10 40 EDCB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)n2nnnc2N1 12416588 ZSNDTQAIYZYOFQ-OAHLLOKOSA-N 342.403 1.980 10 40 EDCB CN(C)c1ccc([C@@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1 22241544 YAXRZDGMADEDPG-OAHLLOKOSA-N 334.383 1.750 10 40 EDCB [N-]=[N+]=NC[C@H](O)Cn1cnc2c(NC(=O)c3ccccc3)ncnc21 5839965 WNAOKIREWPIZGJ-NSHDSACASA-N 338.331 1.750 10 40 EDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccccc1O 408547074 OMWOAVDDKLKQKH-FLIBITNWSA-N 327.296 1.560 10 40 EDCB O=C(O)CN1C(=O)/C(=C\c2cc3ccccc3[nH]c2=O)SC1=S 4440714 RTJSCDWWCQRTLU-IZZDOVSWSA-N 346.389 1.814 10 40 EDCB Cc1cc(C)n2[nH]c(=O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2n1 101925024 FQGUUMSLFAGITH-ISLYRVAYSA-N 346.372 1.702 10 40 EDCB COc1cccc(N2C(=O)N=C(O)/C(=C\NN3CCCCC3)C2=O)c1 16974149 ZEHLFPXSQGFHII-SDNWHVSQSA-N 344.371 1.993 10 40 EDCB O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn[nH]1 96431769 CIRCOLQCSRWOLS-JTQLQIEISA-N 337.330 1.805 10 40 EDCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1NC(=O)NC1=O 42816338 PMJSXODFEKQVHH-HNNXBMFYSA-N 344.415 1.233 10 40 EDCB COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1O 3044210 PQRRLGSTFNAABF-BJMVGYQFSA-N 325.367 1.687 10 40 EDCB Cc1n[nH]cc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 97159382 NSPAWENAHOEGIP-HNNXBMFYSA-N 327.432 1.710 10 40 EDCB O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCCN(c3ncccn3)C2)c1 71792537 KXFUEHKQPAAWFY-ZDUSSCGKSA-N 329.360 1.849 10 40 EDCB c1cc(N2CCOCC2)ccc1CNCc1nnc2n1CCCC2 71821845 MTZLOSSKVYSTOD-UHFFFAOYSA-N 327.432 1.741 10 40 EDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(O)c(O)c1 409374764 YSLCPYHFKVTWIA-IZZDOVSWSA-N 328.280 1.353 10 40 EDCB CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1N=[N+]=[N-] 245225792 PEVZMZIOLKXJNJ-FSKVPOERSA-N 334.332 1.001 10 40 EDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/Nc1ccc(O)cc1 100986947 WEEPMNUFPVMWRC-MDWZMJQESA-N 327.296 1.560 10 40 EDCB O=C(O)C(=O)[C@H]1C(=O)C(=O)[C@@H](CCc2cccc3ccccc23)C1=O 104141533 BDDHKPIFPIJFSV-UONOGXRCSA-N 338.315 1.379 10 40 EDCB COc1cccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 8494574 YOXUSOWSCCYRSN-ZROIWOOFSA-N 341.323 1.863 10 40 EDCB COc1ccc(-n2nnnc2CNC(=O)NCc2cccs2)cc1 9571386 ZYQLVDOPLKLNLH-UHFFFAOYSA-N 344.400 1.732 10 40 EDCB COc1ccc2occ(C=C3C(=O)N(C)C(=O)N(C)C3=O)c(=O)c2c1 2438839 GHKRWSYFKSHPFO-UHFFFAOYSA-N 342.307 1.235 10 40 EDCB COc1ccc(-n2c(C)cc(C(=O)NCC(=O)N(C)C)c2C)cc1 70897985 YGLXTBONGWQPCF-UHFFFAOYSA-N 329.400 1.921 10 40 EDCB C[C@H]1SCCN(CN(C)Cc2ccc(N3CCOCC3)cc2)C1=O 65576011 WAQJQEYSOSXWSR-OAHLLOKOSA-N 349.500 1.876 10 40 EDCB COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2)C1=O 33714277 BSGGDWPRGWRDFU-RVDMUPIBSA-N 343.383 1.743 10 40 EDCB Cc1noc(C)c1C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 42078005 BEWLUPZWKPAEBN-UHFFFAOYSA-N 328.372 1.158 10 40 EDCB CCOC(=O)c1cnn2c(O)cc(CN(C)Cc3ccco3)nc12 32932805 SGGTYRGXVICJMT-UHFFFAOYSA-N 330.344 1.837 10 40 EDCB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccc(Cl)c(C(=O)O)c1 34926868 DTZXVLKDWMJBJS-MRVPVSSYSA-N 344.801 1.883 10 40 EDCB C[C@H](O)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 107338084 XIGAWEMXXRNEFL-YNEHKIRRSA-N 339.411 1.619 10 40 EDCB CCCCN1C(=O)/C(=C\NCCN2CCCCC2)C(=O)N=C1S 103094850 XEHOPOPKLUVJMG-SEYXRHQNSA-N 338.477 1.401 10 40 EDCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccco2)SC1=S 19891115 PYTVVQHHLPUAGB-WSQKDGNHSA-N 341.366 1.799 10 40 EDCB O=C(O)CNC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S 5374823 CLQXHYFYCMUISA-POHAHGRESA-N 336.394 1.089 10 40 EDCB COC(=O)CN1C(=O)N/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O 6388418 KQQRDXXLURIWPE-GQLYJEGOSA-N 329.356 1.375 10 40 EDCB CCOC(=O)c1csc(NNS(=O)(=O)c2ccccc2)n1 1415077 GVXLLLWMEFOXGV-UHFFFAOYSA-N 327.387 1.625 10 40 EDCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1nncs1 44972396 LUBRFCNAXPITGZ-UHFFFAOYSA-N 337.380 1.836 10 40 EDCB Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 35325312 RWHZYUCUBSDVQP-KGLIPLIRSA-N 338.411 1.488 10 40 EDCB CN1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O 54284382 FHILBSNQIVIQPM-HNNXBMFYSA-N 331.416 1.008 10 40 EDCB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NCc3ccccc3O)[C@H]3CO[C@@H]2O3)n1 952844804 KHSUJMARLWXQIT-HSFUPAIVSA-N 345.399 1.021 10 40 EDCB biogenic,in-vitro CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc2c(c1)CCO2 84736348 UTIKFYSCXWOELP-ZBFHGGJFSA-N 338.473 1.771 10 40 EDCB O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ccc(N2CCCC2)cc1 76991155 NOFJIBKYKZFQKK-OAHLLOKOSA-N 336.457 1.728 10 40 EDCB Cc1cnn(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 77613234 QGDHLVSWICHICK-UHFFFAOYSA-N 346.406 1.608 10 40 EDCB CN1C(=O)C(=Cc2cn(CC(=O)O)c3ccccc23)C(=O)N(C)C1=O 4123712 NNGDOAYADHASMC-UHFFFAOYSA-N 341.323 1.160 10 40 EDCB C[C@H]1CN(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 40488027 PCDSPGGCADGHMP-OKILXGFUSA-N 341.477 1.538 10 40 EDCB CCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)C(=O)N(CC)C1=S 6438621 WGXQMFLABAVQRM-UHFFFAOYSA-N 333.369 1.974 10 40 EDCB CC[C@H](C)N1C(=O)/C(=C\NCCN(CC)CC)C(=O)N=C1S 102516121 CNCVRSWJSGHIIA-NIANNCQZSA-N 326.466 1.255 10 40 EDCB COc1cc(NC(=O)C[C@@H]2SC(=S)NC2=O)cc(OC)c1 34926837 YTRVGYKDNCTZGD-JTQLQIEISA-N 326.399 1.549 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCOC3)cc2)C1 58412743 MUVLWVLGEWBJEI-LSDHHAIUSA-N 331.416 1.041 10 40 EDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(F)cc1 408547085 STNOZRAJVLXCPG-JYRVWZFOSA-N 329.287 1.993 10 40 EDCB O=C1NC(=S)S/C1=C\N1N=C(c2cccs2)C[C@H]1C(=O)O 256027904 JFACAXQFEQOQLE-VYVBZAQUSA-N 339.423 1.600 10 40 EDCB O=C(CNCCO)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O 10433989 FPPRORCVAJIQMI-CQSZACIVSA-N 345.424 1.713 10 40 EDCB CCCC[C@@H](CC)COCCCNC=C1C(=O)NC(=S)NC1=O 100374192 HZGJVIYWHPTDTC-GFCCVEGCSA-N 341.477 1.614 10 40 EDCB C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCN(C)CC2)cc1 56336557 ZEMIPNFVDDVOSI-GOEBONIOSA-N 344.459 1.094 10 40 EDCB CN1C(=O)C(=CNc2c(F)c(F)cc(F)c2F)C(=O)N(C)C1=O 12568697 IRSXFIXKTYPFBH-UHFFFAOYSA-N 331.225 1.589 10 40 EDCB CCN(CC)c1ccc(CNC(=O)[C@H]2CCS(=O)(=O)C2)cc1F 66841493 ZNADVLMXIDTSST-ZDUSSCGKSA-N 342.436 1.723 10 40 EDCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(C)ccc1O 9422828 IRIPQQUIJHENDB-OXBCTQFSSA-N 349.412 1.402 10 40 EDCB CNC(=O)c1cc(N)ccc1N1CCN(c2ccc(OC)cc2)CC1 225489888 BCRZNOLGIRHNPT-UHFFFAOYSA-N 340.427 1.964 10 40 EDCB CC(C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 5340971 XIXJJIZHBBETFT-QGZVFWFLSA-N 346.475 1.530 10 40 EDCB CN1CCCc2cc([C@@H](CNC(=O)C3CC3)N3CCOCC3)ccc21 13008303 JLAJLNFPRJXCBG-LJQANCHMSA-N 343.471 1.969 10 40 EDCB O=C(NCCc1ccc(O)c(O)c1)c1cc(F)ccc1-n1cnnn1 12321797 LLKOEMQTMQFVKY-UHFFFAOYSA-N 343.318 1.185 10 40 EDCB O=C1CN(c2ccc(CNC(=O)c3ccc(Cl)o3)cc2)CCN1 44933784 CCZSAQLXIGNBGY-UHFFFAOYSA-N 333.775 1.799 10 40 EDCB CN1C(=O)/C(=C/c2ccccc2Br)C(=O)NC1=S 408911650 AYGBYPTZSIHNAW-SOFGYWHQSA-N 325.187 1.706 10 40 EDCB O=C1N=C(O)/C(=C\c2cc(Br)ccc2[N+](=O)[O-])C(=O)N1 1698186 VMOCFNYIVFVKJR-UHFFFAOYSA-N 340.089 1.947 10 40 EDCB COc1ccccc1C(=O)N1C(=O)CC(=O)N1C(=O)c1ccccc1 105989586 ABJDCLZSCKVVDD-UHFFFAOYSA-N 338.319 1.652 10 40 EDCB Cc1ccc(/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)o1 13592287 FFMXTRJXIVZHPN-HMXLAXJASA-N 341.366 1.717 10 40 EDCB CCOc1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1 31623694 XEGWKGWECYMDHQ-UHFFFAOYSA-N 336.432 1.455 10 40 EDCB Cc1ccc(C2=NN(/C=C3\SC(=S)NC3=O)[C@H](C(=O)O)C2)cc1 256028137 VHWKRVNWQAENAG-ZWIPKHHJSA-N 347.421 1.847 10 40 EDCB CCCCCCN1C(=O)NC(=O)/C(=C\NCCN(CC)CC)C1=O 100790943 KRLSDOAOUXCZFR-BUHFOSPRSA-N 338.452 1.460 10 40 EDCB Cc1cccc(N2C(=O)N=C(O)/C(=C/Nn3cnnc3)C2=O)c1C 6816036 HPAFVSZFXUYVIG-WDZFZDKYSA-N 326.316 1.446 10 40 EDCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] 57176614 COKCDDFRKDCDQJ-IUODEOHRSA-N 337.351 1.068 10 40 EDCB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)/C=C/c1ccc(N(C)C)cc1 95957512 KROJOKOTJBECFK-UIOUNXJESA-N 332.400 1.555 10 40 EDCB C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(N2CCN(C)CC2)cc1 56336564 ZEMIPNFVDDVOSI-ZBFHGGJFSA-N 344.459 1.094 10 40 EDCB COc1ccc(-n2nnnc2CNC(=O)c2ccccc2OC)cc1 16955116 DBNCYGLCGRECEK-UHFFFAOYSA-N 339.355 1.610 10 40 EDCB Cc1cc(O)c(CN2CCN(C(=O)N3CCOCC3)CC2)cc1C 58161893 JDOAITGXMNGQKD-UHFFFAOYSA-N 333.432 1.579 10 40 EDCB Cn1cccc1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O 15013519 MFMARZZDMBQGTG-LUAWRHEFSA-N 329.356 1.996 10 40 EDCB CCn1nnc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 5250438 OPFRAAWUFBVAHQ-UHFFFAOYSA-N 339.403 1.576 10 40 EDCB CCNc1nc(NCC)n2c(SCC(=O)OCC)nnc2n1 401030 WQCNOQDPEDOWFC-UHFFFAOYSA-N 325.398 1.038 10 40 EDCB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2cccnc2)C1=O 5501528 PBDRDPPQOGLVDK-WQLSENKSSA-N 344.421 1.966 10 40 EDCB CCCCCCN1C(=O)NC(=O)/C(=C/NCCCn2ccnc2)C1=O 96101658 IRQOYHBHDTVKMN-OWBHPGMISA-N 347.419 1.405 10 40 EDCB CCOc1ccc2nc(NC=C3C(=O)NC(=S)NC3=O)sc2c1 100552430 SQBCWEOUSQGZSF-UHFFFAOYSA-N 348.409 1.522 10 40 EDCB CCCC(=O)N1CCC[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2O)C1 54799207 LCUVBWUEGNOCCU-GFCCVEGCSA-N 349.387 1.955 10 40 EDCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc(C)on3)C2=O)cc1 9183804 JLXNSXDMVDEETD-WQLSENKSSA-N 342.311 1.570 10 40 EDCB CC(=O)NC1=NC(=O)/C(=C/N2CCN(c3ccccc3)CC2)S1 618254461 BCXXPZZWHZCFOA-KAMYIIQDSA-N 330.413 1.416 10 40 EDCB COC(=O)c1cc(N)c(O)c(CN2C(=O)c3ccccc3C2=O)c1 20220676 SKHHZPYYTNUKPS-UHFFFAOYSA-N 326.308 1.557 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3csnn3)cc2)C1 71821413 PIZZDOUACDONPM-GFCCVEGCSA-N 345.428 1.170 10 40 EDCB O=C1NC(=S)NC(=O)C1=CNc1nc(-c2cccs2)cs1 17170202 GNSVXNSHZGJHGL-UHFFFAOYSA-N 336.423 1.698 10 40 EDCB CN1CCN(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 32046719 OVXCRXWBNLBIRC-JPQYHBGPSA-N 327.475 1.115 10 40 EDCB CCCN(Cc1ccccc1O)C(=O)c1ccc(=O)n(CCOC)n1 69772462 VERIKRURAXICBZ-UHFFFAOYSA-N 345.399 1.648 10 40 EDCB Cn1cc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cn1 97159095 OCUDCKYNERIATE-INIZCTEOSA-N 327.432 1.412 10 40 EDCB CC1=NN(c2nnc(C)c(O)n2)C(=O)/C1=C/c1ccc(N(C)C)cc1 55903 SBZCXOJSBGBTLG-NTEUORMPSA-N 338.371 1.758 10 40 EDCB CCNc1cc(NCCO)c(N)c2c1C(=O)c1ccccc1C2=O 6662168 WTXMETXANJLCJS-UHFFFAOYSA-N 325.368 1.880 10 40 EDCB CC(C)C(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 4164110 LMEMLRWJPJUGOL-MRXNPFEDSA-N 338.473 1.924 10 40 EDCB CC(=O)NC1=NC(=O)/C(=C/N2CCN(Cc3ccccc3)CC2)S1 618254646 FZLBIJKVAQOVMY-QINSGFPZSA-N 344.440 1.411 10 40 EDCB [N-]=[N+]=NC[C@@H](O)Cn1cnc2c(NC(=O)c3ccccc3)ncnc21 6514664 WNAOKIREWPIZGJ-LLVKDONJSA-N 338.331 1.750 10 40 EDCB O=C1NC(=S)N/C1=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5394746 SZZCWZLDIDIZPB-DHZHZOJOSA-N 332.385 1.930 10 40 EDCB COc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(CC(=O)O)C1=O 408589701 FPDHDERMOQTTQT-MDWZMJQESA-N 345.355 1.273 10 40 EDCB COc1ccc(N2CCN(C(=O)CN3C[C@H](C)O[C@H](C)C3)CC2)cc1 13113351 ZXXCDRVVFOQELE-IYBDPMFKSA-N 347.459 1.453 10 40 EDCB COc1ccc(N2CCN(c3nc(N)nc4[nH]cnc34)CC2)cc1 31819936 KPUWITSEAUVLJR-UHFFFAOYSA-N 325.376 1.270 10 40 EDCB COc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 6296198 VYVSBFTUBZVMQV-ZROIWOOFSA-N 341.323 1.863 10 40 EDCB CCN(CC)CCN/C=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 2300051 VVJMIXNCRZZULN-WYMLVPIESA-N 336.436 1.213 10 40 EDCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NC[C@@H]1CCCO1 5816909 CMKBJZFOQVSMLE-UZFBZYOGSA-N 347.415 1.608 10 40 EDCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)cc1 74686066 KQISHGBMQBWBAD-MRXNPFEDSA-N 345.443 1.602 10 40 EDCB COc1ccccc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 83318986 LQDIWSHQNFEKMB-UKTHLTGXSA-N 326.308 1.950 10 40 EDCB C[C@]1(O)CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1 4654730 JJOLHRYZQSDLSA-LJQANCHMSA-N 338.315 1.753 10 40 EDCB biogenic,in-vitro CS(=O)(=O)[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 252509777 YVESSMPNCDRVDP-JTQLQIEISA-N 349.503 1.454 10 40 EDCB CCOC(=O)[C@H]1CCCN(/C=C2\SC(=S)N(CC)C2=O)C1 13120490 UDCZKMFPYCKGFS-RGAIUGGKSA-N 328.459 1.983 10 40 EDCB Nc1nccnc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 78775772 NSUVGVXRYQZICP-ZDUSSCGKSA-N 328.372 1.586 10 40 EDCB COCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 57413275 QMTPRBHFZXOEKF-BETUJISGSA-N 339.411 1.885 10 40 EDCB COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 4748623 UKKNVVIRIKNKAL-RIYZIHGNSA-N 347.346 1.492 10 40 EDCB Nc1nc(N)c2c(n1)O[C@]1(CCCN(Cc3ccccc3O)CC1)C2 257274353 NKQKWHCOTZKRDG-SFHVURJKSA-N 341.415 1.706 10 40 EDCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1n[nH]c(=S)[nH]c1=O 10432930 IIXOWZIHKFYMEO-UHFFFAOYSA-N 347.444 1.485 10 40 EDCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(C)C1=O 59417337 NCYZAULKCAIUJO-RMKNXTFCSA-N 339.145 1.549 10 40 EDCB COc1ccc(N2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)cc1 55878246 VSTIRHDXOOENLZ-CQSZACIVSA-N 329.404 1.587 10 40 EDCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/NCCN1CCCCC1 20023466 UQNZHMTXXVCVHC-FYWRMAATSA-N 348.447 1.357 10 40 EDCB Cc1cc(N2CCOCC2)ccc1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1C 19570616 STXRSMVVOYRBTR-LSTHTHJFSA-N 345.487 1.471 10 40 EDCB O=C1NC(=S)N(Cc2ccccc2)C(=O)/C1=C\NCc1ccco1 101079832 XTMWVAPHBIOIDM-UVTDQMKNSA-N 341.392 1.697 10 40 EDCB CN(C)c1ccc(CN(CC(=O)N2CCOCC2)CC2CC2)cc1 69350997 WJEAREDSUMCKNI-UHFFFAOYSA-N 331.460 1.823 10 40 EDCB O=C1/C(=C/c2ccoc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 40142082 CSGVLYSFTHEWDE-QFQXNISHSA-N 329.424 1.668 10 40 EDCB COc1ccc(N2CCCN(C(=O)[C@H](C)n3cncn3)CC2)cc1 55878245 VSTIRHDXOOENLZ-AWEZNQCLSA-N 329.404 1.587 10 40 EDCB COc1cccc(CNC(=O)C(=O)Nc2cc(F)ccc2F)c1O 77837670 KSVROJDTRCSMPT-UHFFFAOYSA-N 336.294 1.934 10 40 EDCB CC(=O)N[C@@H]1[C@@H](N=[N+]=[N-])O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O 7974979 PEVZMZIOLKXJNJ-XZBVAUNFSA-N 334.332 1.001 10 40 EDCB COC(=O)C[C@H]1C[C@@]23O[C@]2(C(=O)c2c(O)cccc2C3=O)[C@@H](C)O1 100071159 IHXLRPOTFALLKF-HYXQPSGNSA-N 332.308 1.020 10 40 EDCB biogenic,in-vitro COCCCN/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 28641003 MJMNZBVGXLJRPA-XFXZXTDPSA-N 337.763 1.433 10 40 EDCB COc1ccc(N2CCN(C(=O)NCCn3ccnc3)CC2)cc1 65568905 RLRXUVQPZJNONR-UHFFFAOYSA-N 329.404 1.424 10 40 EDCB COc1ccc(N2CCN(C(=O)c3cn(C)nc3OC)CC2)cc1 8842369 UALMVHHZGAVTJF-UHFFFAOYSA-N 330.388 1.400 10 40 EDCB COc1ccccc1/C=C1\SC(=S)N([C@H](CO)C(=O)O)C1=O 5373578 AMGKYIWYVPKHMU-NJQKBMNKSA-N 339.394 1.342 10 40 EDCB COc1ccc(N2CCN(C(=O)N[C@@H](C)Cn3cccn3)CC2)cc1 65400958 KNVFMKPVPBLGQT-HNNXBMFYSA-N 343.431 1.812 10 40 EDCB CN1C(=O)C(=Cc2cscc2Br)C(=O)N(C)C1=O 8873217 PIAOSAUVQALCQJ-UHFFFAOYSA-N 329.175 1.944 10 40 EDCB Cn1c(=O)n(C)c2cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)ccc21 191634 ISHOHUZIJGPUFJ-GXDHUFHOSA-N 348.362 1.338 10 40 EDCB CCN1CCO[C@H](CNCc2ccc(N3CCOCC3)c(F)c2)C1 69774043 LDOPGTWKJCHPKT-MRXNPFEDSA-N 337.439 1.473 10 40 EDCB Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(=O)[nH]1 65488684 BJTINSIUOXTBQO-UHFFFAOYSA-N 341.411 1.792 10 40 EDCB NC(=O)NC(=O)CCN1CCCc2cc(OC(F)(F)F)ccc21 29923917 DMIVTSSEOWEXNJ-UHFFFAOYSA-N 331.294 1.923 10 40 EDCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCCCO)ccc21 9971667 DLBUZCNBPZOBKH-UHFFFAOYSA-N 345.376 1.123 10 40 EDCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 2431305 SHXVXJRIDDKZLK-VKDKVYATSA-N 343.407 1.877 10 40 EDCB COc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3C)C2=O)c1 6239600 RQQLQBMTNROFRQ-GXDHUFHOSA-N 325.324 1.700 10 40 EDCB CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(OC)c(OC)c1 65575086 WEQOWPHCQMPRJB-UHFFFAOYSA-N 343.387 1.700 10 40 EDCB O=C(O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 4935007 LQRDGXZDIAUWPK-XYOKQWHBSA-N 333.319 1.403 10 40 EDCB O=S(=O)(NCCc1c[nH]cn1)c1cc(Cl)cc(Cl)c1O 5728808 ZARKUULIGXOCEA-UHFFFAOYSA-N 336.200 1.943 10 40 EDCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NN1CCOCC1 13130510 IVILTWKCTGPOMV-UVTDQMKNSA-N 331.332 1.038 10 40 EDCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 2431301 SHXVXJRIDDKZLK-PUSOHNNWSA-N 343.407 1.877 10 40 EDCB Nc1ccc(NC(=O)CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 100243417 RWHZYUCUBSDVQP-ZIAGYGMSSA-N 338.411 1.488 10 40 EDCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NN1CCCCC1 17198523 LVICXXJTYPZJFH-SQFISAMPSA-N 346.431 1.830 10 40 EDCB CCN1CCS/C1=C/C=C1/SC(=S)N(CC(=O)O)C1=O 2512568 QGVPJCPOTBNOCZ-BQYBEJQRSA-N 330.456 1.725 10 40 EDCB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(O)c(O)c1 190549 FFAIRQXEOKNZTP-MDWZMJQESA-N 338.319 1.760 10 40 EDCB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)/C=C/c1ccc(N(C)C)cc1 95957513 KROJOKOTJBECFK-ZHANPKHBSA-N 332.400 1.555 10 40 EDCB COc1ccc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)cc1OC 12436896 UFGZHNAAQZTLQP-RVDMUPIBSA-N 347.440 1.922 10 40 EDCB CC[C@H](C)N1C(=O)/C(=C\NCCCn2ccnc2)C(=O)N=C1S 102540181 VCPYPEKSZITYJJ-AWPPVZKDSA-N 335.433 1.200 10 40 EDCB Cc1cccc(-n2c(C)cc(C(=O)NCCS(N)(=O)=O)c2C)c1 58279806 LJOSAGMLBJAAJG-UHFFFAOYSA-N 335.429 1.421 10 40 EDCB Cc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)o1 13592285 FFMXTRJXIVZHPN-ZKUGPGMGSA-N 341.366 1.717 10 40 EDCB O=C(O)[C@H]1C[C@@H](O)CN1Cc1cc(Br)cc(F)c1O 1602219818 ZOEAPSTTXULBJW-PSASIEDQSA-N 334.141 1.314 10 40 EDCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCO[C@@H](C(N)=O)C2)c1 65487724 KXBVCVLBDQIDLP-QGZVFWFLSA-N 341.411 1.729 10 40 EDCB COc1ccc(N2CCN(C(=O)Cn3cccc3C=O)CC2)cc1 72331920 ABSQDEPNCIOYDH-UHFFFAOYSA-N 327.384 1.658 10 40 EDCB Cc1cc(C(=O)OCC(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 44968247 SGMFTBXSZXAHQI-UHFFFAOYSA-N 330.340 1.507 10 40 EDCB CCOC(=O)COc1ccccc1C=C1C(=O)N(C)C(=O)N(C)C1=O 408928299 ZMHKXRIXAVCAJE-UHFFFAOYSA-N 346.339 1.062 10 40 EDCB O=C1NC(=S)NC(=O)C1=CNc1nnc(-c2ccccc2)s1 95471056 IJXBWJNBUVONRE-UHFFFAOYSA-N 331.382 1.032 10 40 EDCB CC(=O)Nc1ccccc1N/C=C1\C(=O)NC(=S)N(C2CC2)C1=O 6293872 GOSINEYNCWZTRX-DHZHZOJOSA-N 344.396 1.347 10 40 EDCB Cc1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccn1 23193098 JVQGRYBUCWFVKL-AWEZNQCLSA-N 347.440 1.748 10 40 EDCB Oc1ccccc1CN[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O 514288780 CVPMMTGUTIEZQH-CWRNSKLLSA-N 342.386 1.341 10 40 EDCB biogenic,in-vitro O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(O)cc1O 13510606 JBLCVRXADNMMFR-ZSOIEALJSA-N 338.319 1.760 10 40 EDCB Cc1cc(N2CCCC2)c(C)cc1/C=C1/NC(=O)N(CC(=O)O)C1=O 408589715 FRMWMFNJSOONEC-NTEUORMPSA-N 343.383 1.881 10 40 EDCB Cc1ccsc1/C=C1\SC(N2CCN(CCO)CC2)=NC1=O 8569714 GOUFKQZTZLYDNZ-RAXLEYEMSA-N 337.470 1.637 10 40 EDCB C[C@@H](NC(=O)N[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1 69841213 IZVGTBITNSDOJZ-CJNGLKHVSA-N 346.431 1.162 10 40 EDCB COc1cccc(-c2n[nH]cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 58175295 ACQHAPWOQLYHDE-UHFFFAOYSA-N 340.339 1.519 10 40 EDCB Cc1ccc(-n2c(C)cc(/C=C/C(=O)NOCC(N)=O)c2C)cc1 95465420 XRMAVXDLDOQBDF-RMKNXTFCSA-N 327.384 1.949 10 40 EDCB Cc1cc(N2CCOCC2)ccc1C=C1C(=O)N(C)C(=O)N(C)C1=O 409070339 FNCKURBHPVVMSL-UHFFFAOYSA-N 343.383 1.265 10 40 EDCB O=C1/C(=C\c2ccccc2O)SC(=S)N1CN1CCOCC1 20064699 YKYCZGPATIUELM-UKTHLTGXSA-N 336.438 1.883 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cnsn3)cc2)C1 55917435 JENYFQICPMEECM-GFCCVEGCSA-N 345.428 1.170 10 40 EDCB CN1C(=O)NC(=O)/C(=C\c2ccc(O)c(Br)c2)C1=O 2899867 XTZDEPZCHPWGNQ-QPJJXVBHSA-N 325.118 1.246 10 40 EDCB COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCC(=O)O 409345710 JBMULAPTXNDFOG-POHAHGRESA-N 339.394 1.990 10 40 EDCB NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)o1 57149596 XSHQKTGTXMBSNW-UHFFFAOYSA-N 349.412 1.457 10 40 EDCB O=C(COC(=O)c1cnccn1)NCc1ccc(N2CCCC2)cc1 60779630 MBJBBHZXRPKRAM-UHFFFAOYSA-N 340.383 1.550 10 40 EDCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CCS(=O)(=O)O 5371772 GLCRRKKWSXECLG-YFHOEESVSA-N 347.414 1.915 10 40 EDCB CCN1CCS/C1=C/C=C1\SC(=S)N(CC(=O)O)C1=O 111398013 QGVPJCPOTBNOCZ-SNXNNQDSSA-N 330.456 1.725 10 40 EDCB CCOCCCN/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 5967476 YPAFAOWXVCJVPF-JLHYYAGUSA-N 335.335 1.309 10 40 EDCB O=C(NC[C@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)c1cccs1 77264223 LDHGTVMZCIYIQP-XPKDYRNWSA-N 348.424 1.102 10 40 EDCB biogenic,in-vitro COc1ccc(N2CCN(Cn3nc4ccccn4c3=O)CC2)cc1 57362631 LWCDEYMDDDLSDZ-UHFFFAOYSA-N 339.399 1.284 10 40 EDCB NC(=O)c1ccccc1NS(=O)(=O)c1cccc2nsnc12 14256870 PKUDPXLINCYGOC-UHFFFAOYSA-N 334.382 1.591 10 40 EDCB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc2c(cc1O)OCO2 96993520 SXYGJIPMKGMCKE-OAHLLOKOSA-N 340.379 1.794 10 40 EDCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(OCC)c1 408917163 OCHPHBQKWWLICO-XYOKQWHBSA-N 334.397 1.741 10 40 EDCB COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 33398386 BCGNRQQCLBFTFI-NTEUORMPSA-N 326.308 1.950 10 40 EDCB O=C(O)CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)SC1=S 26840957 HTHQDHPDPQMZLP-FNORWQNLSA-N 328.327 1.864 10 40 EDCB O=C1N=C(O)N(c2ccccc2F)C(=O)/C1=C/NN1CCCCCC1 6926948 MOZTYRDVTSSDQD-VAWYXSNFSA-N 346.362 1.877 10 40 EDCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408996394 IAVADQLJPBRMLI-XFFZJAGNSA-N 332.312 1.906 10 40 EDCB COC(=O)COc1ccc(/C=C2\C(=O)NC(C)=C2C(=O)OC)cc1 408867211 KEZTXXOAHNDPNX-JYRVWZFOSA-N 331.324 1.199 10 40 EDCB Nc1ccc(CN(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575419885 AENYQCQQQVWABG-IRXDYDNUSA-N 332.425 1.433 10 40 EDCB CN1CCCc2cc(/C=C/C(=O)NC3CCN(C(N)=O)CC3)ccc21 69894195 SYRRQRSQKGDPGW-FNORWQNLSA-N 342.443 1.742 10 40 EDCB COc1ccccc1[C@H](C[N+](=O)[O-])NN1C(=O)CSC1=S 5918953 CWZCXSOWULPLHD-VIFPVBQESA-N 327.387 1.378 10 40 EDCB CO[C@H]1C[C@@H](NC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@@H](CN=[N+]=[N-])O1 5373115 UGIMTQTXIBCYDU-KBUPBQIOSA-N 348.359 1.788 10 40 EDCB Cc1ccc(CC(=O)NCc2ccc(N3CCNC(=O)C3)cc2)o1 89652861 REXBTLQYYFCCMG-UHFFFAOYSA-N 327.384 1.383 10 40 EDCB O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1CCS(=O)(=O)O 5551795 FGOYKFTUYINFAO-YFHOEESVSA-N 345.423 1.481 10 40 EDCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1=NN(C)C(=O)CC1 24207228 YHCQARZVIFCKJA-UHFFFAOYSA-N 344.415 1.090 10 40 EDCB O=C(C=C(C1CC1)C1CC1)NCc1ccc(N2CCNC(=O)C2)cc1 55347493 MONRIEFVJDHSHB-UHFFFAOYSA-N 339.439 1.985 10 40 EDCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\N1CCc2ccccc21 8993439 KZZVESONJTZCJX-MKRLJBPISA-N 345.424 1.338 10 40 EDCB Cc1ccc(N2C(=O)N=C(O)/C(=C/NN3CCOCC3)C2=O)cc1 9300889 BYFOZLBYFHUDEJ-RAXLEYEMSA-N 330.344 1.139 10 40 EDCB Cn1ccnc1CN1CCCN(c2ccc3c(c2)OCCO3)CC1 12143339 MAFNYBRYKWEXMZ-UHFFFAOYSA-N 328.416 1.904 10 40 EDCB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(N2CCOCC2)cc1 19575908 MIEOHUNGRBBVQZ-KFKAGJAMSA-N 331.460 1.163 10 40 EDCB CN1C(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N(C)C1=O 4740055 NKYHADYHLORRBJ-UHFFFAOYSA-N 347.346 1.096 10 40 EDCB CN(C)c1ccc(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 8172322 FCHPPWWMQQIVQM-AWEZNQCLSA-N 342.486 1.289 10 40 EDCB COc1ccc(C(=O)NCC(=O)NCc2cc(OC)ccc2O)cc1 69776126 NKKMILQSVQBYJH-UHFFFAOYSA-N 344.367 1.456 10 40 EDCB CN1CCc2cc(CNC[C@H]3CCn4ncc(C(N)=O)c4C3)ccc21 585655585 YYNVZJNUUNPGMA-AWEZNQCLSA-N 339.443 1.327 10 40 EDCB OC1CCN(c2ccc(CNc3ccc4nnnn4n3)cc2F)CC1 52457610 ZVPVHMPOEGGGGM-UHFFFAOYSA-N 343.366 1.232 10 40 EDCB Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)NC(N)=O)sc2n1 10645101 IWWFGVCUTAFQPN-ZETCQYMHSA-N 336.373 1.236 10 40 EDCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(O)cc3)S2)CC1 4811550 DZZAJJSJHZRDMQ-GXDHUFHOSA-N 331.397 1.527 10 40 EDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 409370963 AQHDQRMLKLNOAZ-MDWZMJQESA-N 340.291 1.640 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccnc3)cc2)C1 55916321 CQSAWWMWYUSLEC-INIZCTEOSA-N 338.411 1.713 10 40 EDCB CC[C@H](C)N1C(=O)/C(=C/Nc2ccccc2C(=O)O)C(=O)NC1=S 6243271 ZIJNUKDAJHNQOF-OHMLCJAVSA-N 347.396 1.722 10 40 EDCB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc2c1OCO2 95430500 CHSUMZJZQTYVGO-UHFFFAOYSA-N 332.381 1.625 10 40 EDCB CC[C@H](C)N1C(=O)/C(=C\NCCCN(CC)CC)C(=O)N=C1S 102486261 WLJQFRZLBMPNMW-KLDSGFLGSA-N 340.493 1.645 10 40 EDCB O=C(O)[C@H]1Nc2c(C(=O)N3CCOCC3)cccc2[C@H]2C=CC[C@H]12 5046790 BAFWMUGYCDOMKF-FFSVYQOJSA-N 328.368 1.697 10 40 EDCB CCS(CC)=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O 13766184 SNXYBNVWXCMYCN-UHFFFAOYSA-N 338.404 1.928 10 40 EDCB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)c1 408590185 GQUNGWASCJSLJR-NTEUORMPSA-N 331.372 1.819 10 40 EDCB CCOC(=O)c1ccc(NC=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 96234506 HUPPMLRWQGQIGT-UHFFFAOYSA-N 347.396 1.374 10 40 EDCB COc1ccc(N2CCN[C@H](C(=O)NCC3CCOCC3)C2)cc1 257301950 SASHZXLCJJUBRN-KRWDZBQOSA-N 333.432 1.016 10 40 EDCB CC(=O)Nc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1 4487874 XZNHWIDEDCVPTG-UVTDQMKNSA-N 331.397 1.948 10 40 EDCB CCCCOC(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1 6051154 XWUOJLBTUHCXEA-UHFFFAOYSA-N 331.328 1.305 10 40 EDCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(=O)[nH]c1 57175979 PNELDNHHNBYQBY-UHFFFAOYSA-N 345.374 1.405 10 40 EDCB CNC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 19080011 NUOWETQEAMZEFJ-UHFFFAOYSA-N 348.409 1.852 10 40 EDCB Cc1ccc(NC(=O)NC=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)c1 408532348 MJYGZSKFVDBFGV-UHFFFAOYSA-N 330.344 1.359 10 40 EDCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1F 13548573 DJIBRMIVHNHIHC-HQQGHWSLSA-N 337.376 1.527 10 40 EDCB CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnnn1C1CC1 12543365 RNNNGNDMGWNRPN-UHFFFAOYSA-N 346.460 1.825 10 40 EDCB COc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1 8844790 TZBDUHUXWZGZCF-UHFFFAOYSA-N 339.461 1.548 10 40 EDCB COC(=O)/C=C1\SC(NC(=O)c2cccc([N+](=O)[O-])c2)=NC1=O 13896145 NWSBWWBPJWQURI-TWGQIWQCSA-N 335.297 1.011 10 40 EDCB COc1ccccc1/C=C1\SC(=S)N([C@@H](CO)C(=O)O)C1=O 5373569 AMGKYIWYVPKHMU-ISAHRAOESA-N 339.394 1.342 10 40 EDCB O=C1CN(c2ccc(CNC(=O)NC(C3CC3)C3CC3)cc2)CCN1 48444998 PGJTUWYUBCYCPZ-UHFFFAOYSA-N 342.443 1.611 10 40 EDCB CSc1ncc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cn1 15303464 DLLNCBVDNCKVLS-WZUFQYTHSA-N 344.352 1.454 10 40 EDCB CCOc1cc(N(CC)CC)ccc1C=C1C(=O)NC(=S)NC1=O 194144 ZTCFPXVWZATXKL-UHFFFAOYSA-N 347.440 1.846 10 40 EDCB CCCN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)NC1=S 12548982 VYUKSSUYFSJQQK-NTCAYCPXSA-N 331.441 1.991 10 40 EDCB CCN(CC)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 71829933 AQOWQFSNXJJVAE-INIZCTEOSA-N 346.475 1.346 10 40 EDCB Cc1cc(C(=O)OCC(=O)N2CCNC2=O)c(C)n1-c1ccccc1 7706317 BDPPUQUVBZGPQE-UHFFFAOYSA-N 341.367 1.803 10 40 EDCB CCN(CC)S(=O)(=O)NC1CCN(c2ccc(OC)cc2)CC1 65521085 PFZMJYADKNMENQ-UHFFFAOYSA-N 341.477 1.840 10 40 EDCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N1CCNC1=S 16958440 IHECETREHAPCQW-ZRDIBKRKSA-N 344.396 1.026 10 40 EDCB CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=S)N(C3CC3)C2=O)cc1 101069723 KTHQSEQYFSUPJY-JYRVWZFOSA-N 344.396 1.347 10 40 EDCB Cc1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)n1C 42078264 YQBIIYWUZRUCOK-UHFFFAOYSA-N 326.400 1.200 10 40 EDCB O=C1/C(=C\c2ccccn2)SC(=S)N1CCS(=O)(=O)O 6616599 PMVJXTXBPXBYHD-VQHVLOKHSA-N 330.412 1.171 10 40 EDCB CN(Cc1ccccc1O)C(=O)c1ccc(N2CCOCC2)nc1 42116861 CLRJLONKIJRHCF-UHFFFAOYSA-N 327.384 1.896 10 40 EDCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 2431302 SHXVXJRIDDKZLK-OJKBXMANSA-N 343.407 1.877 10 40 EDCB COc1ccc(-n2nnnc2CS(=O)(=O)c2ccccc2)cc1 8991559 BYKLBQRNHAZKPL-UHFFFAOYSA-N 330.369 1.645 10 40 EDCB Nc1ccc(CN(c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575422368 VBNCOOSUKFIXRI-IRXDYDNUSA-N 348.424 1.139 10 40 EDCB CCC(=O)N1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 69655784 KIIHKOYZMAWSQO-UHFFFAOYSA-N 344.459 1.833 10 40 EDCB Cc1nn(C)c(Nc2ccc(O)c(CN3CCOCC3)c2)c1[N+](=O)[O-] 71920557 GQDUQRSUEXRSSL-UHFFFAOYSA-N 347.375 1.918 10 40 EDCB COc1cc(N2N=C(C)/C(=C/Nn3cnnc3)C2=O)ccc1Cl 408538756 QGOUPIJJKGSZFN-WDZFZDKYSA-N 332.751 1.790 10 40 EDCB CCCCCCN1C(=O)NC(=O)/C(=C/NN2CCCCCC2)C1=O 38168852 QTCGPTRUTSQVPS-YPKPFQOOSA-N 336.436 1.910 10 40 EDCB CN1C(=O)/C(=C\c2ccc(Br)s2)C(=O)NC1=S 4675529 DHXHBTASCMMTSD-XQRVVYSFSA-N 331.216 1.767 10 40 EDCB in-vitro CCN(CC)c1ccc([N+](=O)[O-])cc1C=C1C(=O)NC(=S)NC1=O 408999752 VQORJBHXEWYADC-UHFFFAOYSA-N 348.384 1.355 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3CCOCC3)cc2)C1 84403001 SHXNNJRSXQPJHL-INIZCTEOSA-N 345.443 1.431 10 40 EDCB COc1ccc(N(Cc2cc(=O)n(C)c(=O)n2C)C(C)C)cc1F 58343740 GSFHAJGLYNYXKF-UHFFFAOYSA-N 335.379 1.647 10 40 EDCB C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C)c1ccc(N2CCN(C)CC2)cc1 95448668 KJVZZCVGGFGIBN-HDMKZQKVSA-N 346.475 1.976 10 40 EDCB COc1ccc(-n2nnnc2CNC(=O)Cc2cccc(C)c2)cc1 17122860 DKKXESVXOOYXPR-UHFFFAOYSA-N 337.383 1.838 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cnccn3)cc2)C1 55916422 DVWWVLXVPIWCKG-CQSZACIVSA-N 339.399 1.108 10 40 EDCB CCCCCCN1C(=O)NC(=O)/C(=C\N[C@H]2CCCC[C@H]2N)C1=O 20292146 MIKUAYLWFXGCHG-WLDGIZNKSA-N 336.436 1.389 10 40 EDCB CC(=O)N1[C@@H](C(=O)N2CCOCC2)CS[C@@H]1c1ccccc1O 27118116 KZEGRPAHBAPEJL-CZUORRHYSA-N 336.413 1.214 10 40 EDCB COc1ccc(N2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)cc1 36380490 NUDYDOGWDCUWLO-UHFFFAOYSA-N 348.447 1.442 10 40 EDCB O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn[nH]1 96431770 CIRCOLQCSRWOLS-SNVBAGLBSA-N 337.330 1.805 10 40 EDCB O=C(/C=C/c1cccnc1)NCc1ccc(N2CCNC(=O)C2)cc1 40519942 JGKAHWNFUNVCOL-VMPITWQZSA-N 336.395 1.347 10 40 EDCB COc1ccc(N2CCN(C(=O)CNCc3ccco3)CC2)cc1 8394298 HVNPMEXGDTXQKO-UHFFFAOYSA-N 329.400 1.727 10 40 EDCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)O 2119631 ZJCFLSBLFPKYFS-WDZFZDKYSA-N 339.394 1.990 10 40 EDCB CN(C)c1ccc(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 9322067 DNECHSOKBIOJOO-UHFFFAOYSA-N 336.395 1.848 10 40 EDCB COCC(=O)N1Cc2cc(N3CCOCC3)ccc2[C@H]1c1cnco1 96087004 XFLFBOJXGLMHDD-SFHVURJKSA-N 343.383 1.589 10 40 EDCB CO[C@@H]1C[C@@H](NC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@@H](CN=[N+]=[N-])O1 5373118 UGIMTQTXIBCYDU-APIJFGDWSA-N 348.359 1.788 10 40 EDCB CCCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733247 SOAYHBVSCWKTDH-GOSISDBHSA-N 331.460 1.969 10 40 EDCB COc1ccc(O)c([C@H](C)NC(=O)C2CCN(C(=O)N(C)C)CC2)c1 65501830 GMWUQATWKPOIOS-LBPRGKRZSA-N 349.431 1.972 10 40 EDCB COc1ccc(N2CCC[C@@]3(C2)CN(S(C)(=O)=O)CCO3)cc1 96074763 XYSOJSBTRVZKGS-MRXNPFEDSA-N 340.445 1.326 10 40 EDCB CN(C)c1ccc(CNC(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1 58342348 KFMPHCVJSMEBKC-UHFFFAOYSA-N 348.428 1.873 10 40 EDCB CN(C)c1ccc(CNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1F 58731220 NGNHIYHJKHDPAR-GFCCVEGCSA-N 328.409 1.333 10 40 EDCB CCOc1cc2c(cc1C=C1C(=O)N(C)C(=S)N(C)C1=O)OCO2 408967695 WUHDYNQTQAVABE-UHFFFAOYSA-N 348.380 1.413 10 40 EDCB COc1ccc(N(CCC(N)=O)CC(=O)NCc2ccccc2)cc1 9157562 PSQFQWGWCSXHKF-UHFFFAOYSA-N 341.411 1.693 10 40 EDCB Nc1nc(N)c2c(n1)O[C@@]1(CCCN(Cc3ccccc3O)CC1)C2 257274352 NKQKWHCOTZKRDG-GOSISDBHSA-N 341.415 1.706 10 40 EDCB O=C1N=C(O)/C(=C/NO)C(=O)N1c1ccc(Br)cc1 16427966 LZXHRTKEOGQNID-YVMONPNESA-N 326.106 1.735 10 40 EDCB CCOC(=O)C1=C(C)N(N)C(=S)N[C@H]1c1ccc(N(C)C)cc1 6387132 MUDZHJZNUYIDSV-AWEZNQCLSA-N 334.445 1.695 10 40 EDCB COc1ncc(C2(O)CCN(Cc3ccccc3O)CC2)c(OC)n1 12186337 QMQCDSUWNWLTFB-UHFFFAOYSA-N 345.399 1.683 10 40 EDCB Cc1cccc(N2C(=O)/C(=C\NCCCN(C)C)C(=O)N=C2S)c1 102565842 KQSOPKVKWKTFAM-KAMYIIQDSA-N 346.456 1.579 10 40 EDCB Cc1cc(N2CCOCC2)ccc1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C 19570610 STXRSMVVOYRBTR-FFZOFVMBSA-N 345.487 1.471 10 40 EDCB CN(Cc1ccccc1O)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103567920 HZWJIFMNBSLPMK-SYWGBEHUSA-N 340.379 1.158 10 40 EDCB COc1ccc(S(=O)(=O)N2CCc3ccccc32)c2nonc12 32579214 ZPDWLPSMTOOWBR-UHFFFAOYSA-N 331.353 1.983 10 40 EDCB COc1ccc(N2CCCN(C(=O)Cn3cc(C)cn3)CC2)cc1 55878679 MCCVRSMQKJHNHX-UHFFFAOYSA-N 328.416 1.939 10 40 EDCB COc1cc(C=C2C(=O)OC(C)(C)OC2=O)c([N+](=O)[O-])cc1OC 4689275 XXXFRFNNBVXTJW-UHFFFAOYSA-N 337.284 1.832 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3csnn3)cc2)C1 71821412 PIZZDOUACDONPM-LBPRGKRZSA-N 345.428 1.170 10 40 EDCB COc1ccc(N2CCN(C(=O)c3[nH]nc4c3CCC4)CC2)cc1 49679167 NGKXPJMPKHWMIP-UHFFFAOYSA-N 326.400 1.869 10 40 EDCB Cc1ccc2c(c1)/C(=C1\SC(=S)N(CCC(=O)O)C1=O)C(=O)N2 967044 ICRKWVZEUUZIQU-VAWYXSNFSA-N 348.405 1.993 10 40 EDCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br 3157612 OAVLSDBQEVISNC-UHFFFAOYSA-N 325.118 1.207 10 40 EDCB COC(=O)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 13343684 ULZBFHOWBIGMEH-POHAHGRESA-N 337.378 1.759 10 40 EDCB CN1C(=O)C(=CNNc2cc(Cl)ccc2Cl)C(=O)N(C)C1=O 408536271 VQEVLHPPYYCCQU-UHFFFAOYSA-N 343.170 1.844 10 40 EDCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC 408809929 OOQKWGAELBDVQT-UHFFFAOYSA-N 338.747 1.887 10 40 EDCB Nc1nonc1/N=N/N(Cc1ccc([N+](=O)[O-])cc1)c1nonc1N 18179518 LRYWERRQAXHOOC-XMHGGMMESA-N 346.267 1.231 10 40 EDCB COc1ccc(N2CCN(C(=O)CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 22024958 ZXXCDRVVFOQELE-HOTGVXAUSA-N 347.459 1.453 10 40 EDCB COc1ccc(N2CCN[C@@H](C(=O)NCC3(O)CCCCC3)C2)cc1 257238012 HJFAVJZNANKYNJ-QGZVFWFLSA-N 347.459 1.285 10 40 EDCB COC(=O)/C=C/c1ccc(N2CCN(C[C@H](C)O)CC2)c([N+](=O)[O-])c1 65547871 BZYJZDWMYRRWKP-BPJJOFIESA-N 349.387 1.284 10 40 EDCB Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1 4524313 AEQKBXVUAWENSY-UHFFFAOYSA-N 340.291 1.703 10 40 EDCB CN(C)c1ccc(/C=C/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1 6226551 XZSGWISQFKYXIX-GGWOSOGESA-N 328.328 1.764 10 40 EDCB CCS[C@@H]1[C@@H](N=[N+]=[N-])[C@H](CO)O[C@@H]1n1cnc2c(N)ncnc21 5488187 ADMYBCMIRRAIME-UAZKVYHSSA-N 336.381 1.099 10 40 EDCB CCN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])C(=O)N(CC)C1=S 16681458 AKZIFBWHMXRMQP-UHFFFAOYSA-N 333.369 1.974 10 40 EDCB CC(=O)N[C@@H]1[C@H](N=[N+]=[N-])O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 245225791 PEVZMZIOLKXJNJ-DXUDUQDWSA-N 334.332 1.001 10 40 EDCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(C)C1=O)OCO2 4723943 OMSYOVUUYGZUKI-WTKPLQERSA-N 334.353 1.071 10 40 EDCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\N(CCO)CCO 408535324 SGSWMNQNCYJVMY-UVTDQMKNSA-N 337.807 1.541 10 40 EDCB CC[C@H](C)N1C(=O)/C(=C/NCCc2ccccc2)C(=O)NC1=S 5925146 NXNWSJHQKTZZRU-SEVUAYLXSA-N 331.441 1.744 10 40 EDCB CCOC(=O)c1cc(C)sc1NC=C1C(=O)NC(=S)NC1=O 13118778 VJGDONVZMLZGLL-UHFFFAOYSA-N 339.398 1.060 10 40 EDCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccco1 27549996 UMRAWLDMGSEEMO-ZROIWOOFSA-N 331.353 1.733 10 40 EDCB O=C(CCN1C(=O)COc2ccccc21)NCc1ccccc1O 84504803 HMSCAHUPLBPQCD-UHFFFAOYSA-N 326.352 1.824 10 40 EDCB Cc1nnc2n1C[C@@H](NCc1ccc(N3CCOCC3)cc1)CC2 95958123 UYMKNUSGNOYDJX-INIZCTEOSA-N 327.432 1.528 10 40 EDCB Nc1nc(N(Cc2ccccc2O)C[C@@H]2CCCO2)ncc1[N+](=O)[O-] 89813912 PKXMVHTXKBZNPS-LBPRGKRZSA-N 345.359 1.858 10 40 EDCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccco3)C(=O)N=C2S1 41083915 ASDIMGSFIAFMRG-IOAGGNQZSA-N 338.370 1.291 10 40 EDCB COc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=S)NC1=O 34926914 UCQJIFLVZZFRDN-SECBINFHSA-N 340.382 1.239 10 40 EDCB O=C1NC(=S)S/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 3023825 PWNISSIOUAVKSG-FARCUNLSSA-N 327.299 1.697 10 40 EDCB CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1N=[N+]=[N-] 245225790 PEVZMZIOLKXJNJ-DBWOOVFOSA-N 334.332 1.001 10 40 EDCB Cc1cccnc1NC(=O)NCc1ccc(N2CCNC(=O)C2)cc1 46984713 NSTPZHLQOWSHMG-UHFFFAOYSA-N 339.399 1.648 10 40 EDCB COc1cccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1OC 966879 INTKVUIEDMELRL-UXBLZVDNSA-N 339.394 1.990 10 40 EDCB CN1CCN(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 32046716 OVXCRXWBNLBIRC-NIANNCQZSA-N 327.475 1.115 10 40 EDCB O=C1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2N1 6623278 JYTHOUNHWUDZNQ-UHFFFAOYSA-N 332.337 1.711 10 40 EDCB CCN1C[C@@H](C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1=O 69568012 DIIHCWSOEGOUGQ-AWEZNQCLSA-N 345.443 1.649 10 40 EDCB CO[C@H]1C=C[C@](CNC(=O)CCn2c(=O)oc3ccccc32)(OC)O1 4121555 QKUDYGDWPFPRCH-WBVHZDCISA-N 348.355 1.002 10 40 EDCB COc1ccc2ccc(OC)c(C=C3C(=O)NC(=O)NC3=O)c2c1 409007088 MVHZJVFOOBLLDZ-UHFFFAOYSA-N 326.308 1.606 10 40 EDCB CCc1ccc(N2C(=O)N=C(O)/C(=C/NCCN(C)C)C2=O)cc1 103098138 RIRHMOZGNYKXQA-KAMYIIQDSA-N 330.388 1.707 10 40 EDCB CCC(=O)Oc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 5175577 DYFPDWWIEBQGIH-UHFFFAOYSA-N 346.339 1.444 10 40 EDCB COc1ccc(N2CCN(c3ncnc4nc(N)ccc34)CC2)cc1 90065902 JBHYCUTWRRBSKL-UHFFFAOYSA-N 336.399 1.942 10 40 EDCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1F 66841492 ZNADVLMXIDTSST-CYBMUJFWSA-N 342.436 1.723 10 40 EDCB Cc1nn(-c2ccccc2)c(O)c1/C=C1\C(=O)NC(=S)N(C)C1=O 408917103 MRHQUAZJAZUCPA-XYOKQWHBSA-N 342.380 1.143 10 40 EDCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1cc(C(=O)O)ccc1Cl 34926871 IRZZQHYHTJYOAB-QMMMGPOBSA-N 344.801 1.883 10 40 EDCB Cc1cc(C(=O)N2CCO[C@H](C(N)=O)C2)c(C)n1-c1ccccc1 50858973 TZQWWNAEEDQUBK-INIZCTEOSA-N 327.384 1.420 10 40 EDCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)O 13940818 ZJCFLSBLFPKYFS-IZZDOVSWSA-N 339.394 1.990 10 40 EDCB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/NC[C@H]1CCCO1 5624771 NOCCUPKQUUYWAY-MBFWDRTGSA-N 335.404 1.440 10 40 EDCB O=C(NN1C(=O)CSC1=S)c1ccc(Br)cc1 2250729 NOMTUTARMWXQAI-UHFFFAOYSA-N 331.216 1.954 10 40 EDCB COC(=O)c1cccc(N/C=C2\C(=O)NC(=S)N(C3CC3)C2=O)c1 5516491 ZHIKNBVMTRSUEW-XYOKQWHBSA-N 345.380 1.175 10 40 EDCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCN1CCOCC1 100422901 PLLQJUCORDUOPM-VKAVYKQESA-N 328.416 1.605 10 40 EDCB C[C@H](NC(=O)c1ccn(C)c(=O)c1)c1ccc(N2CCOCC2)cc1 95955651 MNGZVHVSUCHAPS-AWEZNQCLSA-N 341.411 1.713 10 40 EDCB CN1CCCc2cc(CNC(=O)N[C@@H]3CC(=O)N(C4CC4)C3)ccc21 78918189 GHFBNEZCRAMPPL-OAHLLOKOSA-N 342.443 1.632 10 40 EDCB Cn1cc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cn1 97159096 OCUDCKYNERIATE-MRXNPFEDSA-N 327.432 1.412 10 40 EDCB CCOc1ccc(N/C=C2/C(=O)NC(=S)N(C3CC3)C2=O)cc1 101073569 YAIZUTXBYCUQPJ-LCYFTJDESA-N 331.397 1.787 10 40 EDCB O=C1CN(c2ccc(CNC(=O)c3ccccc3F)cc2)CCN1 36391543 BJNKDUPPFDZFHE-UHFFFAOYSA-N 327.359 1.692 10 40 EDCB Cc1c(CC(=O)NCCCOC(C)C)c(=O)oc2c(O)c(O)ccc12 6623866 CZCOZEOUJYBXAN-UHFFFAOYSA-N 349.383 1.986 10 40 EDCB biogenic CN(C)/N=N/c1ccc(S(=O)(=O)N2CCS[C@@H]2C(=O)O)cc1 378531 BOKFUMHVBUFNFF-CLMBFONXSA-N 344.418 1.395 10 40 EDCB Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2C(N)=O)c(C)n1-c1ccc(F)cc1 89578156 SUXUBMOATCIRHU-GOEBONIOSA-N 345.374 1.294 10 40 EDCB CCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C 13008536 CLZHKHNJAIHBLS-KRWDZBQOSA-N 346.475 1.314 10 40 EDCB COC(=O)CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 6482248 GHLLYXQLOUTQOX-WZUFQYTHSA-N 337.378 1.790 10 40 EDCB CCOCCCCNC(=O)NCc1ccc(N2CCNC(=O)C2)cc1 56424050 RRVWPYIXCARQTR-UHFFFAOYSA-N 348.447 1.239 10 40 EDCB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2cccnc2)C1=O 27229676 PBDRDPPQOGLVDK-XYOKQWHBSA-N 344.421 1.966 10 40 EDCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\N1CCc2ccccc21 8993440 KZZVESONJTZCJX-QTNMRXCUSA-N 345.424 1.338 10 40 EDCB CCN1C(=O)C(=CNc2ccc3[nH]ncc3c2)C(=O)N(CC)C1=S 6908071 IJURCSMWCVFXCE-UHFFFAOYSA-N 343.412 1.854 10 40 EDCB CCN(CC)c1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc1 4193627 BOTITBKUJZHQPO-OAHLLOKOSA-N 326.404 1.551 10 40 EDCB COc1ccc(N2N=C(C)/C(=C(\C)NN3CCOCC3)C2=O)cc1 100422953 MXLZMMKFWMSAEW-VBKFSLOCSA-N 330.388 1.529 10 40 EDCB Cc1nc2n(n1)C[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CC2 69772769 DBMHOCZRUHBSHE-HNNXBMFYSA-N 345.422 1.667 10 40 EDCB COc1ccc(-n2cccc2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 408953430 PNAMFHGOBPMKHS-UHFFFAOYSA-N 339.351 1.920 10 40 EDCB CCc1nnc2n1C[C@@H](NCc1ccc(N3CCOCC3)cc1)CC2 97199495 OHSHBBPTLWGCHN-INIZCTEOSA-N 341.459 1.782 10 40 EDCB C[C@@H]1SCCN(CN(C)Cc2ccc(N3CCOCC3)cc2)C1=O 65576012 WAQJQEYSOSXWSR-HNNXBMFYSA-N 349.500 1.876 10 40 EDCB COc1cc(/C=C2\C(=O)N(c3nnn[nH]3)N=C2C)cc(Cl)c1O 100180206 VAAJSFMYDXDQPZ-BAQGIRSFSA-N 334.723 1.373 10 40 EDCB Cn1cccc1/C=C1\SC(=S)N([C@H](CC(=O)O)C(=O)O)C1=O 5219769 ATTLQCXMUVMLOD-CPJBWDMUSA-N 340.382 1.154 10 40 EDCB N[C@@H]1CCCC[C@@H]1N/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 20291874 VMNVYGXDZFTPSS-GVZVPMNBSA-N 344.440 1.178 10 40 EDCB O=C(CN1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1)N1CCCC1 69533140 KXKRABRONQFKBM-UHFFFAOYSA-N 348.403 1.040 10 40 EDCB CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc2c(c1)CCO2 84736349 UTIKFYSCXWOELP-HOCLYGCPSA-N 338.473 1.771 10 40 EDCB C[C@H](NC(=O)N[C@H]1CCO[C@@H]1C)c1ccc(N2CCN(C)CC2)cc1 95448670 KJVZZCVGGFGIBN-DAYGRLMNSA-N 346.475 1.976 10 40 EDCB O=C1CN(c2ccc(CNC(=O)NCc3cccs3)cc2)CCN1 31101653 DIRVTVAJDYNBMU-UHFFFAOYSA-N 344.440 1.684 10 40 EDCB COc1ccc2c(c1)CCN2CCOc1ccc(S(N)(=O)=O)cc1 58943915 DAQFLMKKZOWIBL-UHFFFAOYSA-N 348.424 1.784 10 40 EDCB CCCS(=O)(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 57006988 NIZDMEUBIUGOAU-AWEZNQCLSA-N 339.461 1.218 10 40 EDCB CCc1ccc(N2C(=O)NC(=O)/C(=C\NCCCN(C)C)C2=O)cc1 100769125 WDAOORPEWJPDBP-NTCAYCPXSA-N 344.415 1.257 10 40 EDCB CN(C)S(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 71924514 HPMCKCSNQFNYNK-UHFFFAOYSA-N 349.403 1.653 10 40 EDCB CN(c1ccc(CNC(=O)Cn2cnnn2)cc1)C1CCCCC1 67299770 RWZCFFYCHRRQFW-UHFFFAOYSA-N 328.420 1.758 10 40 EDCB CN(C)c1ccc(CNC(=O)c2ccccc2-n2cnnn2)cc1F 58733902 MDZMOQLJVUXILD-UHFFFAOYSA-N 340.362 1.797 10 40 EDCB COc1cc(/C=C2/C(=O)NC(=O)N=C2O)cc(OC)c1OC(C)=O 974552 LFAAPAMUEDBGNR-UHFFFAOYSA-N 334.284 1.219 10 40 EDCB COc1ccccc1[C@@H](C[N+](=O)[O-])NN1C(=O)CSC1=S 5918946 CWZCXSOWULPLHD-SECBINFHSA-N 327.387 1.378 10 40 EDCB O=[N+]([O-])c1ccc(O)c(CNC2CCN(c3ncccn3)CC2)c1 71792527 QDNLMGAULOLZND-UHFFFAOYSA-N 329.360 1.849 10 40 EDCB COc1ccc(N2CCN(CCNC(=O)c3cnccn3)CC2)cc1 38598292 ULIRTGMSCXHFET-UHFFFAOYSA-N 341.415 1.037 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCC3CC3)cc2)C1 56380255 YATBFUOQDSYCFP-HNNXBMFYSA-N 330.432 1.598 10 40 EDCB COc1ccc(N2CCN(C(=O)Cn3ccccc3=O)CC2)cc1 7106551 QACBRBXPTWZKDX-UHFFFAOYSA-N 327.384 1.206 10 40 EDCB CCN1C(=O)C(=CNc2c(C)nn(C)c2C)C(=O)N(CC)C1=S 6550763 BSSJTDYYQUFRDK-UHFFFAOYSA-N 335.433 1.328 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cnsn3)cc2)C1 55917434 JENYFQICPMEECM-LBPRGKRZSA-N 345.428 1.170 10 40 EDCB COc1ccc(N(CCC(N)=O)CC(=O)N2CCCCCC2)cc1 24716943 PBQQUSDBAZCZOO-UHFFFAOYSA-N 333.432 1.780 10 40 EDCB CN1C(=O)C(=Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)C1=S 555257 VZOGXOFHARBWIV-UHFFFAOYSA-N 345.424 1.122 10 40 EDCB C[C@@H](NC(=O)N1CCNC(=O)[C@H]1C)c1ccc(N2CCOCC2)cc1 72270198 OLOGEPJOXSPWRM-ZIAGYGMSSA-N 346.431 1.114 10 40 EDCB CC(=O)N[C@@H]1[C@@H](N=[N+]=[N-])O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 7974988 PEVZMZIOLKXJNJ-QZOBBIQNSA-N 334.332 1.001 10 40 EDCB c1ccc2c(c1)nnn2CN1CCN(c2ccc3c(c2)OCO3)CC1 52537407 XZJBMUWKQPIDKS-UHFFFAOYSA-N 337.383 1.940 10 40 EDCB COc1ccc(N2CCC(NC(=O)N[C@H](C)C(=O)N(C)C)CC2)cc1 69651964 IPAJNMBOMLMTBX-CYBMUJFWSA-N 348.447 1.440 10 40 EDCB NC(=O)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 42949256 ZSGJEFSKKQBNCV-UHFFFAOYSA-N 330.432 1.694 10 40 EDCB COC(=O)C[C@@H]1C[C@]23O[C@@]2(C(=O)c2c(O)cccc2C3=O)[C@H](C)O1 252505031 IHXLRPOTFALLKF-RFMXWLSYSA-N 332.308 1.020 10 40 EDCB biogenic,in-vitro O=C1c2cccc([N+](=O)[O-])c2C(=O)c2c1cccc2S(=O)(=O)O 4091245 VGIVZECXTZAEHI-UHFFFAOYSA-N 333.277 1.617 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NC[C@H]3CCCO3)C2=O)cc1C 5739987 INCPQAIZLAVDNT-MFYHJKBNSA-N 343.383 1.539 10 40 EDCB Cc1c(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc(N2CCCC2)c1C 408591627 JSYJJITYXYUWPG-NTEUORMPSA-N 343.383 1.881 10 40 EDCB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)/C=C/c1ccc(N(C)C)cc1 95957511 KROJOKOTJBECFK-XKQHDHNFSA-N 332.400 1.555 10 40 EDCB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(=O)[nH]1 75120564 RYLMYOSEVZSAON-UHFFFAOYSA-N 345.374 1.589 10 40 EDCB C[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 966986 FKALJXADTPROPL-MHESWEFBSA-N 348.405 1.708 10 40 EDCB COc1cccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)c1OC 20291963 CXUFGPOVUYHDJP-KAMYIIQDSA-N 347.440 1.922 10 40 EDCB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N(C)C)c(F)c1 58280083 ZWYKIGZNNKGBNO-LLVKDONJSA-N 333.363 1.919 10 40 EDCB CCOC(=O)[C@H]1CCCN(/C=C2/SC(=S)N(CC)C2=O)C1 4715497 UDCZKMFPYCKGFS-SPQRFVMMSA-N 328.459 1.983 10 40 EDCB COC(=O)[C@@H](C)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1277221 GRMLJIMPQNOPSF-MHESWEFBSA-N 348.405 1.772 10 40 EDCB NC(=O)c1ccc2c(c1SCCO)C(=O)c1ccccc1C2=O 4176887 KVSSKLYIXPSZJL-UHFFFAOYSA-N 327.361 1.645 10 40 EDCB CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964151 FYONZCPVIUMMPS-KRWDZBQOSA-N 344.459 1.068 10 40 EDCB NC(=O)Cn1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)cn1 65422893 JUQIDDHBFSYATA-UHFFFAOYSA-N 342.403 1.290 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cn[nH]c3)cc2)C1 57145778 JKJOXMNARUAFRZ-CYBMUJFWSA-N 342.403 1.433 10 40 EDCB O=C1N=C(O)/C(=C\c2c(O)c(C(=O)O)cc3ccccc23)C(=O)N1 5771370 SJDBSWFFLNJUCE-UHFFFAOYSA-N 326.264 1.833 10 40 EDCB CN(C)c1ccc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)cc1 122636507 IRALXCXNIHOHLQ-UHFFFAOYSA-N 344.459 1.907 10 40 EDCB CCCCN1C(=O)NC(=O)/C(=C\Nc2ccc(NC(C)=O)cc2)C1=O 100783418 OQUXPYCXJMSUOE-GXDHUFHOSA-N 344.371 1.819 10 40 EDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\NCc1ccccc1 408547114 ZSJTWQZZMPEYHU-UVTDQMKNSA-N 325.324 1.532 10 40 EDCB CN1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)CC1 19882079 BEJJFTHIWQNPCA-UHFFFAOYSA-N 325.217 1.635 10 40 EDCB CN(Cc1ccccc1O)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 108456430 HZWJIFMNBSLPMK-IYVPYFHTSA-N 340.379 1.158 10 40 EDCB COc1ccc(N2CCC(NC(=O)[C@@H](C)n3cncn3)CC2)cc1 69779281 DNRKRVPSCFUSNN-CYBMUJFWSA-N 329.404 1.633 10 40 EDCB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NC[C@@H]1CCCO1 5996950 XWCRTORVLPZOGD-FYQHACEVSA-N 347.346 1.057 10 40 EDCB COc1ccc(N2CCN(c3ccc(N)cc3C(N)=O)CC2)cc1 225489843 AMLJGYZXRLZDTD-UHFFFAOYSA-N 326.400 1.703 10 40 EDCB CC[C@@H](C)N1C(=O)/C(=C\NCCN(CC)CC)C(=O)N=C1S 102516118 CNCVRSWJSGHIIA-JPQYHBGPSA-N 326.466 1.255 10 40 EDCB COCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 4276424 BCJSGDNHVXCVFQ-UHFFFAOYSA-N 345.376 1.387 10 40 EDCB O=C1c2cnccc2C(=O)c2c1nnn2Cc1cc(F)cc(F)c1 1857793466 QIQYIXCPSXWUPO-UHFFFAOYSA-N 326.262 1.775 10 40 EDCB COc1ccccc1N/C=C1/C(=O)N(c2ccc3nncn3n2)N=C1C 101641153 VBFHGVQHILYKIE-FMIVXFBMSA-N 349.354 1.851 10 40 EDCB O=C1OC[C@H]2[C@H]1Cc1cc(O)c(O)cc1[C@H]2c1ccc(O)c(O)c1 4404403 WQECJMDOMUSXDX-BWACUDIHSA-N 328.320 1.986 10 40 EDCB COc1cccc([C@H]2C=C(C(=O)O)Nc3nc(SC)nn32)c1O 101599917 JNTHYTKURBHPMS-SECBINFHSA-N 334.357 1.698 10 40 EDCB O=C1/C(=C/c2ccco2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2287378 GXKQTSQNBJJWKH-NDVARNPJSA-N 329.424 1.668 10 40 EDCB O=C1N=C(S)N(C2CC2)C(=O)/C1=C\Nc1ccc2c(c1)OCO2 103226608 JOMMASUXUYHPOR-POHAHGRESA-N 331.353 1.528 10 40 EDCB O=C(/C=C/c1cscn1)NCc1ccc(N2CCNC(=O)C2)cc1 50314543 FHBSEXJYXDSDGM-ZZXKWVIFSA-N 342.424 1.409 10 40 EDCB O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)NCCCO 11851918 PBDIPYKJQFUUBS-UHFFFAOYSA-N 345.376 1.123 10 40 EDCB CCN(CC)c1ccc(CNC(=O)CN2CSCC2=O)cc1F 66841677 NODJAIHQEBDKBH-UHFFFAOYSA-N 339.436 1.821 10 40 EDCB CC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)NC(=O)N[C@]1(O)C(F)(F)F 57531222 SIJKQYATNINFOZ-YRGRVCCFSA-N 345.321 1.563 10 40 EDCB O=C1NC(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])c(Cl)cc1Cl 59597002 NHSXGLZVYOXNCJ-UHFFFAOYSA-N 346.151 1.816 10 40 EDCB O=C(O)CCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S 1870900 UBVBLRHBLCKTGA-ZHACJKMWSA-N 334.378 1.685 10 40 EDCB O=C(Cc1nc2ncccn2n1)NCc1ccc(N2CCCC2)cc1 57149538 CVYPXGKLGLHUJP-UHFFFAOYSA-N 336.399 1.583 10 40 EDCB C[C@H](NC(=O)NCCCSc1nccs1)c1nncn1C 75108335 ZDVSTTAZYCAOGF-VIFPVBQESA-N 326.451 1.814 10 40 EDCB O=C1/C(=C\c2cccnc2)SC(=S)N1CCS(=O)(=O)O 5518642 OYCMUJQWJQDGFT-RMKNXTFCSA-N 330.412 1.171 10 40 EDCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 9136690 ATVFSAAATHUBBJ-DHZHZOJOSA-N 327.252 1.854 10 40 EDCB Cc1nn(C)c(N(C)C)c1CNCc1ccc(N2CCOCC2)cc1 65496477 IUHUZHLQNVFRLU-UHFFFAOYSA-N 343.475 1.921 10 40 EDCB CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cc(C)n(-c2cc(C)ccn2)c1C 67674503 YTWQUURFWMXOCQ-SJORKVTESA-N 341.459 1.445 10 40 EDCB O=c1[nH]c(/C=C\c2ccc(N3CCOCC3)cc2)nc(O)c1[N+](=O)[O-] 33409043 ICKKKLRKKUNCMN-UTCJRWHESA-N 344.327 1.391 10 40 EDCB CN(CCO)C(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 95475447 FOJNRFSMWXRZNT-UHFFFAOYSA-N 348.358 1.779 10 40 EDCB CN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)NC1=S 409015745 QITRXDDOIWMYPA-UKTHLTGXSA-N 327.365 1.439 10 40 EDCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)CC2)cc1 74686065 KQISHGBMQBWBAD-INIZCTEOSA-N 345.443 1.602 10 40 EDCB COc1ccc(N2CCN(Cc3cc(=O)c(OC)c[nH]3)CC2)cc1 41127952 BIBSNJJUOGEXPG-UHFFFAOYSA-N 329.400 1.714 10 40 EDCB CN(C)c1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cc1 12534288 ZEAMOQYCZBLONJ-UHFFFAOYSA-N 330.413 1.345 10 40 EDCB C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 5351268 UBUWBGLWQWRFHG-XREMMQICSA-N 325.367 1.772 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C/N3CCN(C)CC3)C2=O)cc1C 100270232 ZGGPRSMKPZSJLA-PTNGSMBKSA-N 342.399 1.018 10 40 EDCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/NC3CC3)C2=O)c1 102517719 JNESSMVWFRAYGC-FLIBITNWSA-N 331.328 1.763 10 40 EDCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 4356908 JCEUAIVUPQJNHL-PUSOHNNWSA-N 327.339 1.409 10 40 EDCB CCCC(=O)N1CCN(Cc2nnnn2-c2ccc(OC)cc2)CC1 23233343 UMKRGULDCZJRBS-UHFFFAOYSA-N 344.419 1.115 10 40 EDCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NCCCn1ccnc1 102412569 ZLINESVSLKCBFH-KAMYIIQDSA-N 339.355 1.030 10 40 EDCB CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 4042384 GSQOXUBSDDGGHN-MRXNPFEDSA-N 347.415 1.960 10 40 EDCB C[C@@H](NC(=O)C1(O)CCC1)c1ccc(N2CCN(C)CC2)c(F)c1 252490284 KNYRWBZWAGZAEM-CYBMUJFWSA-N 335.423 1.670 10 40 EDCB Cc1cnn(CCNCC(=O)NCc2ccc(N3CCCC3)cc2)c1 72253148 AMZQYYBONWUDMS-UHFFFAOYSA-N 341.459 1.698 10 40 EDCB CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nnc2n1CCC2 55077758 PBAAGSKKPWQCNX-UHFFFAOYSA-N 328.420 1.632 10 40 EDCB O=C(NCc1ccc(N2CCCC2)cc1)NCc1nnc2n1CCC2 44953160 UTIVBGYKVHPBEF-UHFFFAOYSA-N 340.431 1.824 10 40 EDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 409371820 IMBQQAOMCFQMME-UXBLZVDNSA-N 331.240 1.443 10 40 EDCB O=C(O)c1cnc(C(=O)NCc2c(O)ccc3c2CCCC3)cn1 296891764 YDMDYTAGUURPHJ-UHFFFAOYSA-N 327.340 1.689 10 40 EDCB CC(=O)N[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)C 10906615 CLFXYMXBKKYVSI-SFHVURJKSA-N 347.459 1.642 10 40 EDCB CC(=O)N1[C@H](c2ccccc2O)SC[C@H]1C(=O)N1CCOCC1 27118127 KZEGRPAHBAPEJL-BBRMVZONSA-N 336.413 1.214 10 40 EDCB CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=S)NC2=O)cc1 34926822 NKNZKOKZNIECCP-SNVBAGLBSA-N 338.410 1.708 10 40 EDCB Cc1cccc(N2C(=O)/C(=C\NCCN(C)C)C(=O)N=C2S)c1 103107939 ISGYOAOWVKLOEK-RAXLEYEMSA-N 332.429 1.189 10 40 EDCB CN(C)CCN/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 103092186 PHUYMFNXWBBWGT-XFXZXTDPSA-N 336.779 1.798 10 40 EDCB Nc1nonc1/N=N/N(Cc1ccccc1[N+](=O)[O-])c1nonc1N 100057879 KYBPFKXQCCEHCE-XMHGGMMESA-N 346.267 1.231 10 40 EDCB CCn1cnnc1CNC(=O)N1CCOc2cc(N(C)C)ccc21 95409254 JLOOZHZQTXEQIX-UHFFFAOYSA-N 330.392 1.473 10 40 EDCB COc1ccc(Cn2c3c(n[n+]2[O-])C(=O)c2ccccc2C3=O)cc1 534255 DXUNEAJLVKBXNO-UHFFFAOYSA-N 335.319 1.349 10 40 EDCB CCOCCCN/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 1899599 ICLZPGFGEAPWTB-SDNWHVSQSA-N 331.372 1.165 10 40 EDCB O=C1NC(=S)N(Cc2ccccc2)C(=O)/C1=C/NCc1ccco1 5819230 XTMWVAPHBIOIDM-GXDHUFHOSA-N 341.392 1.697 10 40 EDCB COC(/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O)OC 36624748 PZAIPHUSIQLDSH-CMDGGOBGSA-N 333.431 1.995 10 40 EDCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1O 33758518 FNQVMNJPXQONAS-XFXZXTDPSA-N 325.280 1.762 10 40 EDCB NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)ccc1O 32907222 CTXWDQJCYIBKQM-OAHLLOKOSA-N 331.759 1.780 10 40 EDCB CC[C@H](C)N1C(=O)/C(=C/Nc2cccc3nonc23)C(=O)NC1=S 8770443 NASGDXJYSRVWFW-INTFFVIUSA-N 345.384 1.560 10 40 EDCB CN(C)c1ccc(CNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 103120736 GCFLKDAQCZJXHF-HZPDHXFCSA-N 341.411 1.320 10 40 EDCB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccccc1O)C2 12184537 MSYSCSWIPIUYFB-UHFFFAOYSA-N 326.400 1.634 10 40 EDCB O=C(O)[C@@H](CO)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 5374187 NJOAEFFRJVLQFL-JRZFIGEHSA-N 343.813 1.987 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccccn3)cc2)C1 55916490 MNDHBHSOOXPCTP-OAHLLOKOSA-N 338.411 1.713 10 40 EDCB COc1ccc(N2CCN[C@@H](C(=O)NCCc3ccccn3)C2)cc1 257287596 PQQHVWIACJWOQJ-GOSISDBHSA-N 340.427 1.227 10 40 EDCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\N1CCNC1=S 104304318 IHECETREHAPCQW-BENRWUELSA-N 344.396 1.026 10 40 EDCB COc1ccc(N2CCC(NC(=O)N[C@@H](C)C(=O)N(C)C)CC2)cc1 69651962 IPAJNMBOMLMTBX-ZDUSSCGKSA-N 348.447 1.440 10 40 EDCB CN(C)CCCN/C=C1/C(=O)N=C(S)N(C2CCCCC2)C1=O 103090154 HEOWZAUTYIODHE-QBFSEMIESA-N 338.477 1.399 10 40 EDCB Cc1ccc(C(=O)O)cc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1 408838531 XODQISVQCHPDFK-UHFFFAOYSA-N 340.291 1.703 10 40 EDCB O=C(O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 408589017 CRECMAOFOBTBQA-NTUHNPAUSA-N 333.319 1.403 10 40 EDCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc([N+](=O)[O-])c1O 96193708 IDGTXYQBSACUET-UHFFFAOYSA-N 349.299 1.133 10 40 EDCB NC(=O)COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 107579449 QLTBZMDGIYQYGC-GDNBJRDFSA-N 337.335 1.012 10 40 EDCB COC[C@@H](C)NC(=O)C1CCN(Cc2cccc(OC)c2O)CC1 199402444 PISBODKOGIFRHG-CYBMUJFWSA-N 336.432 1.764 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NCCCC(=O)O)C2=O)c(C)c1 19596822 QIWOEIUVANNCLJ-FMIVXFBMSA-N 345.355 1.225 10 40 EDCB COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1O 1006538 TXQXPNNXZPYXQP-UHFFFAOYSA-N 337.353 1.988 10 40 EDCB O=C1N=C(O)N(c2ccc(F)cc2)C(=O)/C1=C\NN1CCCCC1 9041480 YPCOAOMBILRSEA-RAXLEYEMSA-N 332.335 1.487 10 40 EDCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(C)C 96193593 SSGWLZNVNVJIPG-UHFFFAOYSA-N 334.397 1.787 10 40 EDCB COCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)NC1=S 6286958 KRSMJXDGGDNKQN-JLHYYAGUSA-N 333.413 1.026 10 40 EDCB OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1cccc(F)c1O 585291828 DWAGXWJYMAWLHU-QGPMSJSTSA-N 335.350 1.992 10 40 EDCB O=C(O)[C@H](CO)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 5374150 PPTXETCOLAMKRL-QFQXNISHSA-N 327.358 1.472 10 40 EDCB Nc1ccc(CN(c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575422364 VBNCOOSUKFIXRI-DLBZAZTESA-N 348.424 1.139 10 40 EDCB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cccc(F)c1O 643586622 XSTAAKMGAKPZQP-OGWHTMIXSA-N 347.386 1.041 10 40 EDCB CC(C)OC(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1 17113513 MNFURPIVFARJKG-UHFFFAOYSA-N 333.369 1.079 10 40 EDCB CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)cc1 8981603 NUHXLIGAMZXDEO-ZDUSSCGKSA-N 341.429 1.602 10 40 EDCB in-vitro O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2ncccn2)o1 409087731 JRYVGSUWSJNNGN-UHFFFAOYSA-N 332.366 1.135 10 40 EDCB NC(=O)COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 15009168 JXJOZZMFSOASLO-XNTDXEJSSA-N 337.335 1.012 10 40 EDCB CCN(CC)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 71829935 AQOWQFSNXJJVAE-MRXNPFEDSA-N 346.475 1.346 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccco3)cc2)C1 55916325 KUNRPEFMRCIJDX-AWEZNQCLSA-N 327.384 1.911 10 40 EDCB Cn1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cn1 55916918 CNIPFXRALAATLP-AWEZNQCLSA-N 341.415 1.052 10 40 EDCB Nc1ccc(CN(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575419884 AENYQCQQQVWABG-IAGOWNOFSA-N 332.425 1.433 10 40 EDCB COc1ccc(N2CCN(C(=O)N[C@@H](C)c3nncn3C)CC2)cc1 65401482 HCCRUKJLZDKSJO-ZDUSSCGKSA-N 344.419 1.417 10 40 EDCB Cc1cccc(N2C(=O)NC(=O)/C(=C/NC[C@H]3CCCO3)C2=O)c1C 5752401 AGFJDUYYJSFBNR-JFBXQDQPSA-N 343.383 1.539 10 40 EDCB CCN1C[C@@H](C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1=O 55878319 ZCGOKINLPRCARD-HNNXBMFYSA-N 345.443 1.602 10 40 EDCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 4999324 KSHWKZWBUFFCAD-UKTHLTGXSA-N 328.324 1.789 10 40 EDCB CCc1ccc(N2C(=O)NC(=O)/C(=C/NCCCN(C)C)C2=O)cc1 19995753 WDAOORPEWJPDBP-QINSGFPZSA-N 344.415 1.257 10 40 EDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)ccc1O 409392386 LXHMXTRSBJXPCZ-XYOKQWHBSA-N 339.307 1.462 10 40 EDCB CC1=NN(c2nc(C)cc(=O)[nH]2)C(=O)/C1=C\c1ccc(N(C)C)cc1 16266713 ALQJJEDCOWZHSI-GDNBJRDFSA-N 337.383 1.950 10 40 EDCB COc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O 3157620 KBXSOYXHQSZGHF-UHFFFAOYSA-N 325.118 1.207 10 40 EDCB Cc1cc(N(C)C)ccc1CNC(=O)CNC(=O)NCc1ccco1 72286131 NRSVZNXGVHJKQU-UHFFFAOYSA-N 344.415 1.770 10 40 EDCB CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)NC1=S 408909625 HQXZQQFAPMJJOR-SDNWHVSQSA-N 329.425 1.933 10 40 EDCB CO[C@@H]1C[C@H](NC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@@H](CN=[N+]=[N-])O1 5373121 UGIMTQTXIBCYDU-LJISPDSOSA-N 348.359 1.788 10 40 EDCB CC(C)C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 4164117 LMEMLRWJPJUGOL-INIZCTEOSA-N 338.473 1.924 10 40 EDCB Cc1n[nH]c(C)c1N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408758187 WPEJSPBOXFJAHG-XYOKQWHBSA-N 325.328 1.605 10 40 EDCB Cc1cc(C)cc(N2C(=O)/C(=C/NCCN(C)C)C(=O)NC2=S)c1 101191571 BERIRGLHQHBCLY-GXDHUFHOSA-N 346.456 1.086 10 40 EDCB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1ccccc1F 101640341 GOUNGSBPLPJPNR-DHZHZOJOSA-N 337.318 1.982 10 40 EDCB C[C@@H](NC(=O)N1CC[C@@H](C(N)=O)C1)c1ccc(N2CCOCC2)cc1 71831079 NZTQQAIIDUKWAU-UKRRQHHQSA-N 346.431 1.101 10 40 EDCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(C)cc1 103518643 XCRZQBPOFUUIFM-WJQTUHTMSA-N 333.413 1.696 10 40 EDCB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1SC(=S)NC1=O 34926858 GNRMZWOMIIDRAD-SECBINFHSA-N 325.371 1.748 10 40 EDCB C[C@H]1CN(c2ccc(CNC(=O)C3(C(N)=O)CC3)cc2F)C[C@@H](C)O1 69662239 CDMJXCTUZKRYLD-TXEJJXNPSA-N 349.406 1.321 10 40 EDCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 2431307 SHXVXJRIDDKZLK-UDGZVJEDSA-N 343.407 1.877 10 40 EDCB C[C@H]1CN(c2ccc(CNC(=O)C3(C(N)=O)CC3)cc2F)C[C@H](C)O1 69662248 CDMJXCTUZKRYLD-RYUDHWBXSA-N 349.406 1.321 10 40 EDCB CNC(=O)[C@H]1CN(c2ccc(OC)cc2)CCN1c1ccnc(C)n1 257235693 GYYDOXZREXRZRU-MRXNPFEDSA-N 341.415 1.235 10 40 EDCB O=S(=O)(O)c1ccc(/N=N\c2nc3c(O)nc(O)nc3[nH]2)cc1 104047386 ZUXOJCUQZMBIEO-MSUUIHNZSA-N 336.289 1.426 10 40 EDCB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)c([N+](=O)[O-])c1 4256008 BLFNPSZECXTFQU-CQSZACIVSA-N 348.359 1.852 10 40 EDCB Cc1ccccc1N1C(=O)N=C(O)/C(=C\NN2CCOCC2)C1=O 34236609 FZLRMAVQAIPQNG-ZRDIBKRKSA-N 330.344 1.139 10 40 EDCB CCCOC(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1 17286349 WWCNUBHUHHCXOD-UHFFFAOYSA-N 333.369 1.080 10 40 EDCB CCOc1c(OC)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 65622793 ZFJFRJQNKROAMA-UHFFFAOYSA-N 348.355 1.536 10 40 EDCB COC(=O)/C=C/c1ccc(N2CCN([C@H](C)CO)CC2)c([N+](=O)[O-])c1 72272282 AFWLLKFXOQPFOU-DIECRNLCSA-N 349.387 1.284 10 40 EDCB COc1cccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)c1O 19808100 MOOFOXMGUIYONL-RAXLEYEMSA-N 333.413 1.619 10 40 EDCB Cc1ccccc1-n1c(C)cc(C(=O)N2CCO[C@@H](C(N)=O)C2)c1C 50858634 SRUITOGFXHNMQJ-QGZVFWFLSA-N 341.411 1.729 10 40 EDCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nn1cnnc1 101129475 QEXGGAIRXFFCKV-WUXMJOGZSA-N 347.176 1.891 10 40 EDCB N=C(N)NN/C=C1/C(=O)N(c2cccc3ccccc23)C(=O)N=C1O 6942629 PPIOFIJWSMQKQM-DHZHZOJOSA-N 338.327 1.134 10 40 EDCB COCCn1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 4305605 HXGDBXWPGFIGNE-UHFFFAOYSA-N 335.429 1.350 10 40 EDCB COCC(=O)N1Cc2cc(N3CCOCC3)ccc2[C@@H]1c1cnco1 96087003 XFLFBOJXGLMHDD-GOSISDBHSA-N 343.383 1.589 10 40 EDCB CN(C)CCCN/C=C1/C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 2394931 CFLAIKCCTMEXQV-SQFISAMPSA-N 348.447 1.381 10 40 EDCB CN1C(=O)/C(=C/c2ccc(Br)cc2)C(=O)NC1=S 5557828 NWRHLEHEJOGDFZ-RMKNXTFCSA-N 325.187 1.706 10 40 EDCB COc1ccc(N2NC(=O)/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1 40940077 JEQRNAXGVJCWQV-NTEUORMPSA-N 340.335 1.871 10 40 EDCB Cc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226859898 TVPNKGADVBOUED-UHFFFAOYSA-N 332.337 1.385 10 40 EDCB Cc1cc(=O)oc2c(CN3CCN(CC(=O)O)CC3)c(O)ccc12 1738811162 XOWBFDIQWPYDFQ-UHFFFAOYSA-N 332.356 1.009 10 40 EDCB O=C1/C(=C\c2ccoc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 12174185 CSGVLYSFTHEWDE-RAJVOEEQSA-N 329.424 1.668 10 40 EDCB CN1N[C@@H](c2ccccc2O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 19169936 LUAULCKNWSNUHE-PMPSAXMXSA-N 329.400 1.570 10 40 EDCB Cc1cc(O)c(CN2CCC(C(=O)N3CCN(C)CC3)CC2)cc1C 54496706 ORMPLJWORPQOQF-UHFFFAOYSA-N 345.487 1.995 10 40 EDCB N[C@H]1CCCC[C@H]1N/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 20291883 VMNVYGXDZFTPSS-YVAPMFQZSA-N 344.440 1.178 10 40 EDCB CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccsc2)ccc1O 390834714 SZLXLLLIADFDJU-UHFFFAOYSA-N 348.427 1.163 10 40 EDCB O=C1NC(=O)C(=Cc2cccc(OC(F)(F)C(F)F)c2)C(=O)N1 1163359 BJEFIKOHKVLPJI-UHFFFAOYSA-N 332.209 1.673 10 40 EDCB COC(=O)C[C@H](c1cc(O)c(O)c(OC)c1)c1c(O)cc(C)[nH]c1=O 79191544 RQHNNIIXNBIZQR-SNVBAGLBSA-N 349.339 1.504 10 40 EDCB biogenic CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)cc1 4703719 NDPOUJXOYLUTHR-GDNBJRDFSA-N 336.351 1.814 10 40 EDCB Nc1ccc(CN(c2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575422369 VBNCOOSUKFIXRI-SJORKVTESA-N 348.424 1.139 10 40 EDCB O=C1/C(=C\c2ccoc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 12174188 CSGVLYSFTHEWDE-UMYFRRCYSA-N 329.424 1.668 10 40 EDCB Cc1c(CC(=O)NCc2ccco2)c(=O)oc2c(O)c(O)ccc12 5346350 XMKMRLXCDCOJEY-UHFFFAOYSA-N 329.308 1.965 10 40 EDCB CC(=O)N[C@@H]1[C@H](N=[N+]=[N-])O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 245225793 PEVZMZIOLKXJNJ-FVUFVHQMSA-N 334.332 1.001 10 40 EDCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCC1CCNCC1 100149177 BFOFNKVTXKBZOE-LFIBNONCSA-N 343.387 1.790 10 40 EDCB O=C(COCC(F)(F)F)NCc1ccc(N2CCOCC2)cc1 65420068 VKMVFQXOOASVBO-UHFFFAOYSA-N 332.322 1.718 10 40 EDCB COc1ccc2ccc(OC)c(C=C3C(=O)NC(=S)NC3=O)c2c1 409008314 VRXAGICXEDFEMM-UHFFFAOYSA-N 342.376 1.771 10 40 EDCB COc1ccc(N2CCN(CC(=O)Nc3cc(C)nn3C)CC2)cc1 65574912 IOAPYDARRAWULL-UHFFFAOYSA-N 343.431 1.498 10 40 EDCB COc1ccc(N2CCN(C(=O)NCCCn3ccnc3)CC2)cc1 9317595 MZZZCEZGCQUFNB-UHFFFAOYSA-N 343.431 1.814 10 40 EDCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(N)=O 409216145 FQZRDESIHIIBPS-IZZDOVSWSA-N 338.410 1.438 10 40 EDCB CC(C)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733479 FINFLZFKRNMMHG-SFHVURJKSA-N 331.460 1.824 10 40 EDCB Cc1cccc(N2C(=O)N=C(O)/C(=C/NN3CCOCC3)C2=O)c1 20023325 WQIDRESWCBWJAW-RAXLEYEMSA-N 330.344 1.139 10 40 EDCB COc1ccc2c(c1)CCN2CC(=O)Nc1sccc1C(N)=O 58942427 LSEJBQWDLWPALG-UHFFFAOYSA-N 331.397 1.857 10 40 EDCB Cc1ccc(N/C=C2\C(=O)NC(=O)N(C[C@@H]3CCCO3)C2=O)cc1 17989080 VZPOWFYXILELHY-FYQHACEVSA-N 329.356 1.548 10 40 EDCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCN1CCOCC1 100422912 WFAJHNNBLZNPMC-LGMDPLHJSA-N 346.406 1.744 10 40 EDCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 409188070 FQGSZWXHXQABLW-OQLLNIDSSA-N 338.367 1.716 10 40 EDCB COC(=O)Cc1c(C)c2ccc(O)c(CN3CCOCC3)c2oc1=O 85876423 JRYVGESKMBHEHZ-UHFFFAOYSA-N 347.367 1.355 10 40 EDCB biogenic C[C@H](NC(=O)N1CC[C@H](C(N)=O)C1)c1ccc(N2CCOCC2)cc1 71831076 NZTQQAIIDUKWAU-ZFWWWQNUSA-N 346.431 1.101 10 40 EDCB Cc1nn(C)cc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 80345692 KYANJFRNOLPMNN-POHAHGRESA-N 325.415 1.795 10 40 EDCB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N(C)C)c(F)c1 58280081 ZWYKIGZNNKGBNO-NSHDSACASA-N 333.363 1.919 10 40 EDCB CN(C)c1ccc(CNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 18214903 GCFLKDAQCZJXHF-HOTGVXAUSA-N 341.411 1.320 10 40 EDCB CC1(C)[C@@H]2CC[C@@]1(C(=O)NCc1ccc3c(c1)OCO3)C(=O)C2=O 100261978 ATONOOOBPWOSFD-ZMZPIMSZSA-N 329.352 1.606 10 40 EDCB CN(C)c1ccc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)cc1 199575 GRWWGWACIFXSMW-RVDMUPIBSA-N 349.419 1.827 10 40 EDCB NC(=O)COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409399120 FZXSJTMCJCNCAC-UVTDQMKNSA-N 337.335 1.012 10 40 EDCB CC(=O)NC1=NC(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)S1 408730611 RXJMALGEMANBRO-JYOAFUTRSA-N 335.297 1.430 10 40 EDCB COc1cccc(N/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 100609462 YOXUSOWSCCYRSN-NTEUORMPSA-N 341.323 1.863 10 40 EDCB CCCCN1C(=O)/C(=C\NCCN(CC)CC)C(=O)N=C1S 102586854 XKMAQUMUTZQSBT-QXMHVHEDSA-N 326.466 1.256 10 40 EDCB C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)n1cncn1 65404093 PIEKVOFNUQUBBV-AWEZNQCLSA-N 329.404 1.334 10 40 EDCB CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)C(=O)NC1=S 4458252 DWSLSKFMQSTDCG-KAMYIIQDSA-N 329.425 1.933 10 40 EDCB NC(=O)COc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O 408528966 FZDZRBRMJXREGG-WTKPLQERSA-N 328.802 1.693 10 40 EDCB CCS(=O)(=O)NCCNCc1cc(Cl)cc(Cl)c1O 89274502 DKFCOMXRRZUDQO-UHFFFAOYSA-N 327.233 1.728 10 40 EDCB O=C(CN1C(=O)CSC1=S)Nc1cnn(C2CCOCC2)c1 96384250 OHMYBGHSZFQHOQ-UHFFFAOYSA-N 340.430 1.033 10 40 EDCB COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(OC)c1 13343654 PASSBNGUBKVNBZ-WZUFQYTHSA-N 339.394 1.990 10 40 EDCB O=C(O)CCN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 1800291 VKFKRUBGSQHJSA-UXBLZVDNSA-N 325.367 1.774 10 40 EDCB Cc1cc(N(C)C)ccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 72285691 KMGASYFNZOVWOS-UHFFFAOYSA-N 331.376 1.872 10 40 EDCB CCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC 566003 PFEBZRJOQIVRFQ-UHFFFAOYSA-N 340.788 1.662 10 40 EDCB C[C@@H]1CN(C)CCN1CC(=O)NCc1ccc(N2CCCC2)cc1 89939066 RRHKUALWHWLRFT-MRXNPFEDSA-N 330.476 1.539 10 40 EDCB O=C(O)COc1ccccc1/C=C1/SC(N2CCOCC2)=NC1=O 316434 LRLAYGAUUITJKN-UKTHLTGXSA-N 348.380 1.453 10 40 EDCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O 12338883 LWYOGMGPRDGGMT-JYRVWZFOSA-N 340.335 1.871 10 40 EDCB CC[C@H](C)N1C(=O)/C(=C\NCCc2ccccc2)C(=O)NC1=S 101045278 NXNWSJHQKTZZRU-PBBNAPBQSA-N 331.441 1.744 10 40 EDCB Cn1cnnc1[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 93809906 RWYSBIZGTTXZGG-KRWDZBQOSA-N 327.432 1.989 10 40 EDCB O=C1/C(=C/c2ccoc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 40142081 CSGVLYSFTHEWDE-JRZFIGEHSA-N 329.424 1.668 10 40 EDCB CCN(CC)CCN/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 97969095 BYEIAFSOLOTPJA-QINSGFPZSA-N 344.415 1.393 10 40 EDCB CCc1noc(C)c1C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 42078046 LSLNTCNBUIKWOT-UHFFFAOYSA-N 342.399 1.412 10 40 EDCB O=C1NC(=O)C(=Cc2ccccc2OC(=O)c2ccccc2)C(=O)N1 3666343 QMXRFWUBRJQCMJ-UHFFFAOYSA-N 336.303 1.655 10 40 EDCB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C\NN1CCCCC1 34236894 GVAAEGNEEQWWGZ-OWBHPGMISA-N 334.420 1.662 10 40 EDCB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(N3CCOCC3)cc2)N1 7125441 LPRHBJCWSDHFOG-KRWDZBQOSA-N 348.410 1.969 10 40 EDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(C)C 97760 SRRLHEONFGHLJF-UHFFFAOYSA-N 334.397 1.644 10 40 EDCB CS(C)=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 13775373 ARTHOPFAOFNEQR-UHFFFAOYSA-N 332.303 1.989 10 40 EDCB CCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C 13008534 CLZHKHNJAIHBLS-QGZVFWFLSA-N 346.475 1.314 10 40 EDCB CNC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc2c(cc1O)OCO2 6378856 DSSMJYJURFDPIA-INIZCTEOSA-N 344.323 1.868 10 40 EDCB CCN1C(=O)C(=CNc2ccc(OC)cc2)C(=O)N(CC)C1=S 5688853 KRFSRVZOKLWOIE-UHFFFAOYSA-N 333.413 1.987 10 40 EDCB Cc1cc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)on1 22243974 SLYFNXUWLRXMQD-UHFFFAOYSA-N 331.372 1.735 10 40 EDCB COc1ccc(N2CCN(C(=O)NCCC(=O)OC(C)C)CC2)cc1 12562651 TYVPCYSPTFRUIB-UHFFFAOYSA-N 349.431 1.869 10 40 EDCB CCN(CC)c1ccc(CNC(=O)[C@H](C)NS(C)(=O)=O)cc1F 66931664 KHPMHSUGJBMIIV-NSHDSACASA-N 345.440 1.226 10 40 EDCB O=C1NC(=S)S/C1=C\N1N=C(c2cccs2)C[C@@H]1C(=O)O 256027905 JFACAXQFEQOQLE-WVXOVRIESA-N 339.423 1.600 10 40 EDCB COC[C@H](C)NC(=O)C1CCN(Cc2cccc(OC)c2O)CC1 199402437 PISBODKOGIFRHG-ZDUSSCGKSA-N 336.432 1.764 10 40 EDCB [N-]=[N+]=CC(=O)CCCNS(=O)(=O)c1ccc(Br)cc1 5769895 NOEHADGNIBMAOG-UHFFFAOYSA-N 346.206 1.377 10 40 EDCB COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC(F)F 12748987 HQSRIFKANACHMP-UHFFFAOYSA-N 340.282 1.730 10 40 EDCB Cc1ccc2c(c1)/C(=C1/SC(=S)N([C@@H](C)C(=O)O)C1=O)C(=O)N2 1281992 VWBAEVPDXVDJPP-UKMFXHQASA-N 348.405 1.992 10 40 EDCB O=C(CNc1c2ccccc2nc2ccccc12)N[C@@H](CO)C(=O)O 3892254 UETXQKLCCIKIFL-HNNXBMFYSA-N 339.351 1.362 10 40 EDCB COc1cc(N2N=C(C)/C(=C/Nc3nc[nH]n3)C2=O)ccc1Cl 408537158 ZIRBXVKUHABOBL-POHAHGRESA-N 332.751 2.185 10 40 EDCB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)cc1 95939635 WPORAGKPSMIWGQ-UHFFFAOYSA-N 348.380 1.755 10 40 EDCB CN1C(=O)[C@H](C(C)(C)[C@H]2SC(=S)N(C)C2=O)SC1=S 17322718 OSKORECZYVIDAB-OLQVQODUSA-N 334.513 1.730 10 40 EDCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H]1CCOC1 69897305 UYBJADYBQRIGJS-OAHLLOKOSA-N 326.462 1.941 10 40 EDCB CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 4042385 GSQOXUBSDDGGHN-INIZCTEOSA-N 347.415 1.960 10 40 EDCB Cc1cccc(N2C(=O)/C(=C/NN3CCOCC3)C(O)=NC2=S)c1 16977594 XSBLBVFISOIEEE-JLHYYAGUSA-N 346.412 1.304 10 40 EDCB CCN(C)c1ccc(CNS(=O)(=O)C[C@@H]2CCCO2)cc1F 71921634 SDHFPVMCTRYTDS-ZDUSSCGKSA-N 330.425 1.880 10 40 EDCB O=C1/C(=C\c2ccccc2)SC(=S)N1CCS(=O)(=O)O 6884784 KTGBRADVNKOKNM-CSKARUKUSA-N 329.424 1.776 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccncc3)cc2)C1 55916358 YOXZPJHDNPOQOL-MRXNPFEDSA-N 338.411 1.713 10 40 EDCB O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cc[nH]n1 48261991 GULARVMABWZXSN-UHFFFAOYSA-N 331.445 1.962 10 40 EDCB CCOc1cc(/C=C2/SC(=S)N(CCO)C2=O)ccc1O 80343743 FVGZRMNTHDUBNF-XYOKQWHBSA-N 325.411 1.984 10 40 EDCB CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1O 72289395 PMARPZQPGXWRDW-LBPRGKRZSA-N 347.375 1.849 10 40 EDCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(C(C)(C)C)c2C)C1=O 408548324 GIPMWJLPKHEJRR-MDWZMJQESA-N 333.388 1.926 10 40 EDCB Cn1ccc(/C=C2/SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)c1 5374003 MRJWIUBJEKUUMN-SXPLAPADSA-N 340.382 1.154 10 40 EDCB CCN1C(=O)C(=Cc2nc3ccccc3[nH]2)C(=O)N(CC)C1=S 520471 AOHRINQJPHXKQC-UHFFFAOYSA-N 328.397 1.942 10 40 EDCB Cc1nnc(NC(=O)NCc2ccc(N3CCNC(=O)C3)cc2)s1 43407176 ZHDZABPCXKZAEH-UHFFFAOYSA-N 346.416 1.104 10 40 EDCB Nc1ccc(CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575420911 KYVQVRUSSCXXHR-ROUUACIJSA-N 346.452 1.429 10 40 EDCB Cc1c(CC(=O)NC[C@@H]2CCCO2)c(=O)oc2c(O)c(O)ccc12 5347605 NUMQWEJOKQIVBH-JTQLQIEISA-N 333.340 1.350 10 40 EDCB O=C1CN(c2ccc(CNC(=O)NCc3ccco3)cc2)CCN1 31099540 OMRCIFSWOOUOMO-UHFFFAOYSA-N 328.372 1.215 10 40 EDCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 4356914 PYTVVQHHLPUAGB-CYXIBPNKSA-N 341.366 1.799 10 40 EDCB CC[C@H](C)N1C(=O)/C(=C/NNCCN(CC)CC)C(O)=NC1=S 20358391 JPVIHZOGKHRJOQ-OCUQMRJBSA-N 341.481 1.188 10 40 EDCB Cc1cccc2c1NC(=O)/C2=C1\SC(=S)N([C@H](C)C(=O)O)C1=O 1810454 HZBANZUPRUKHMU-BRSPZTEKSA-N 348.405 1.992 10 40 EDCB CC(C)NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C 13008705 LYCAXPYIQZELFG-QGZVFWFLSA-N 346.475 1.313 10 40 EDCB CCOC(=O)C1=C(C)NC(NC#N)=N[C@H]1c1ccc(N(C)C)cc1 6026525 JSYCSKCRLBAXQN-HNNXBMFYSA-N 327.388 1.661 10 40 EDCB CC[C@@H](C)N1C(=O)/C(=C\NCCCn2ccnc2)C(=O)N=C1S 102540173 VCPYPEKSZITYJJ-ZGSOTFDTSA-N 335.433 1.200 10 40 EDCB CN1C(=O)/C(=C/NN2CCCCC2)C(=O)N(c2ccccc2)C1=S 34210529 FFWYLHBCLZKXKH-OWBHPGMISA-N 344.440 1.651 10 40 EDCB CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 12552015 CYTPWZQZIUFWIH-UHFFFAOYSA-N 346.364 1.735 10 40 EDCB COc1ccc(-n2cccc2C=C2C(=O)NC(=S)NC2=O)cc1 408954655 UJCVBCLJJBXMQF-UHFFFAOYSA-N 327.365 1.400 10 40 EDCB Nc1ccc(NC(=O)CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 100243420 RWHZYUCUBSDVQP-KBPBESRZSA-N 338.411 1.488 10 40 EDCB O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1ccc(O)cc1)C(=O)O 14824980 JRXLVUMFJASLDR-PXYYCUNGSA-N 343.335 1.629 10 40 EDCB endogenous,in-man COc1ccc(N2CCN[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 257272341 NCAXQKQVDJTVBY-OAHLLOKOSA-N 339.386 1.731 10 40 EDCB CN(c1ccccc1C(N)=O)S(=O)(=O)c1cccc2nsnc12 19109992 LRDNZJSVXYZFIK-UHFFFAOYSA-N 348.409 1.615 10 40 EDCB COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=S)NC2=O)c1 34926835 RSTPOSPLJLWUBB-JTQLQIEISA-N 326.399 1.549 10 40 EDCB Cc1cc(N2C(=O)NC(=O)/C(=C/O)C2=O)ccc1Br 101123310 DLGAOLANVFYWSD-YVMONPNESA-N 325.118 1.782 10 40 EDCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(O)nc1 10907158 SRSKMGNEOFXRNA-UHFFFAOYSA-N 327.384 1.896 10 40 EDCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)c(O)c1 36081872 MKNIVHULQGCZFQ-KPKJPENVSA-N 342.282 1.903 10 40 EDCB C[C@@]1(O)CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1 6032158 JJOLHRYZQSDLSA-IBGZPJMESA-N 338.315 1.753 10 40 EDCB biogenic,in-vitro [N-]=[N+]=NCCOCCOCCOCCOc1cccnc1[N+](=O)[O-] 1857794417 AQODXLWEOPYPHB-UHFFFAOYSA-N 341.324 1.729 10 40 EDCB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/NN1CCCCC1 5093066 GVAAEGNEEQWWGZ-WYMLVPIESA-N 334.420 1.662 10 40 EDCB Cc1ccc(N2C(=O)/C(=C/NCCCN(C)C)C(=O)NC2=S)cc1 19950375 YNKNCZSNNMCQDB-SDNWHVSQSA-N 346.456 1.168 10 40 EDCB Cc1cc(O)c(CN2CCN(S(C)(=O)=O)CC2)cc1C(C)C 40477458 BBCKCELWIPIVDB-UHFFFAOYSA-N 326.462 1.901 10 40 EDCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1O 409371171 DSYYDLVDUJQNGO-KPKJPENVSA-N 342.307 1.656 10 40 EDCB Oc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCNCC2)cc1 19364876 ADXJDIUUZKZIAO-GOSISDBHSA-N 328.368 1.821 10 40 EDCB O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCCn1ccnc1 79351822 AHBNQDQVMPLEJP-QPJJXVBHSA-N 340.427 1.939 10 40 EDCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1 5643734 ZOPVUBGAKNRGPT-UHFFFAOYSA-N 341.367 1.803 10 40 EDCB Cc1cccc(/C=C2\SC(N3CCN(CCO)CC3)=NC2=O)c1 13547840 LXWIPDDBIGMBFG-QINSGFPZSA-N 331.441 1.575 10 40 EDCB CC(=O)N1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 40512054 IXDQABBABYTPLI-UHFFFAOYSA-N 326.400 1.793 10 40 EDCB O=C1OC[C@H]2[C@@H]1Cc1cc(O)c(O)cc1[C@H]2c1ccc(O)c(O)c1 4404405 WQECJMDOMUSXDX-NVGCLXPQSA-N 328.320 1.986 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NCCCN(C)C)C2=O)cc1 19998088 PWXJHQJMCYETLW-SDNWHVSQSA-N 330.388 1.003 10 40 EDCB CC(=O)NN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=S 12379540 OZWIBTIWCILAQD-YHYXMXQVSA-N 339.354 1.553 10 40 EDCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(O)cc1 408998012 PWABBTTWKRYNSW-UHFFFAOYSA-N 341.392 1.714 10 40 EDCB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N2CCOCC2)cc1 5694548 NCXSZRBNVKTHEN-OAHLLOKOSA-N 331.372 1.324 10 40 EDCB COC(=O)c1ccc(-n2c(C)cc(C=C(C(N)=O)C(N)=O)c2C)cc1 408740538 BYGSQFFIVIZHGS-UHFFFAOYSA-N 341.367 1.235 10 40 EDCB CN(C)c1ccc(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1F 69508784 NGNHIYHJKHDPAR-LBPRGKRZSA-N 328.409 1.333 10 40 EDCB Nc1ccc(CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575420913 KYVQVRUSSCXXHR-ZWKOTPCHSA-N 346.452 1.429 10 40 EDCB Cc1nonc1/N=[N+](\[O-])C(Br)(Br)[N+](=O)[O-] 67197388 ZEFDQERZNHQLRK-YFHOEESVSA-N 344.907 1.650 10 40 EDCB CC[C@H](C)N1C(=O)/C(=C/Nc2ccc(C(=O)O)cc2)C(=O)NC1=S 6243262 QUAQHVLEEDCGSB-KWINOFQJSA-N 347.396 1.722 10 40 EDCB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/NC[C@@H]1CCCO1 5624770 NOCCUPKQUUYWAY-UQRISPGASA-N 335.404 1.440 10 40 EDCB CCN(C)c1ccc(CNS(=O)(=O)c2cnn(CC)c2)cc1F 71921636 YAMATHJYEBOUDN-UHFFFAOYSA-N 340.424 1.977 10 40 EDCB NC(=O)[C@@H]1CN(Cc2c(O)ccc3oc4c(c23)CCCC4)CCO1 50926346 ZMXDTFNZJRVDJQ-INIZCTEOSA-N 330.384 1.703 10 40 EDCB COC(=O)C1CCN(C(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)CC1 101424903 BLDDFMJNCBGPLS-ROUUACIJSA-N 335.400 1.363 10 40 EDCB O=C1/C(=C/c2cccnc2)SC(=S)N1CCS(=O)(=O)O 4193739 OYCMUJQWJQDGFT-TWGQIWQCSA-N 330.412 1.171 10 40 EDCB Cc1ccccc1N1C(=O)/C(=C\NCCCN(C)C)C(=O)N=C1S 103093564 FXPJSRYSXKFFGA-QBFSEMIESA-N 346.456 1.579 10 40 EDCB CC(=O)Oc1ccccc1/C=C1\SC(=S)N(CC(=O)O)C1=O 10386590 BQAQWJSHRSIFPX-WDZFZDKYSA-N 337.378 1.898 10 40 EDCB CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O 4575417 PEVZMZIOLKXJNJ-LWGJEFJTSA-N 334.332 1.001 10 40 EDCB NS(=O)(=O)c1ccc2c(c1)N(Cc1cccc3c1OCO3)CC2 97164439 KWALYQJZXNPBHN-UHFFFAOYSA-N 332.381 1.625 10 40 EDCB COC(=O)C[C@H]1C[C@@]23O[C@@]2(C(=O)c2c(O)cccc2C3=O)[C@@H](C)O1 72320621 IHXLRPOTFALLKF-UGEREYQASA-N 332.308 1.020 10 40 EDCB biogenic,in-vitro CCN(CC)CCN/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O 2305654 QWWQEJOKHAXTLW-QINSGFPZSA-N 344.415 1.393 10 40 EDCB Cc1cc(O)c(C(=O)CC2(O)C(=O)c3ccccc3C2=O)c(=O)o1 71785177 QFTCOFOZXUWTLT-UHFFFAOYSA-N 328.276 1.037 10 40 EDCB COc1ccccc1/C=C1\SC(N2CCN(CCO)CC2)=NC1=O 9189185 IFQAJRODZVKDTJ-QINSGFPZSA-N 347.440 1.275 10 40 EDCB CN1CCCc2cc(CNC(=O)N[C@H]3CC(=O)N(C4CC4)C3)ccc21 78918193 GHFBNEZCRAMPPL-HNNXBMFYSA-N 342.443 1.632 10 40 EDCB CCCS(=O)(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 57006989 NIZDMEUBIUGOAU-CQSZACIVSA-N 339.461 1.218 10 40 EDCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccccn1 409235664 POEXGQJBEVJURC-UHFFFAOYSA-N 338.367 1.923 10 40 EDCB CCOC(=O)CN1C(=O)CS/C1=C1\SC(=S)N(CC)C1=O 95937961 HSTGIAIKRAGWIE-LUAWRHEFSA-N 346.455 1.174 10 40 EDCB Cc1cc(=O)oc2c(CN[C@H](CCCCN)C(=O)O)c(O)ccc12 1754808 PZZCMYBBKNKJQO-CYBMUJFWSA-N 334.372 1.479 10 40 EDCB biogenic COc1ccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)c(OC)c1 19842069 TYRRNWYJVCUJEM-GDNBJRDFSA-N 347.440 1.922 10 40 EDCB COc1ccc(N2CCN[C@H](C(=O)NCCc3nccs3)C2)cc1 257246819 IVYSGDFLDYHGMC-HNNXBMFYSA-N 346.456 1.289 10 40 EDCB COCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 57413278 QMTPRBHFZXOEKF-STQMWFEESA-N 339.411 1.885 10 40 EDCB Cc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccn1 44915113 ODFFTMFRZCVGFH-CQSZACIVSA-N 347.440 1.654 10 40 EDCB O=C1NC(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCCC1 409007754 QRIVEHTVISTHLI-UHFFFAOYSA-N 346.368 1.109 10 40 EDCB CC(=O)N[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)CC[C@@H]1O 257218188 DCEODGHVRIYIRA-OALUTQOASA-N 331.460 1.748 10 40 EDCB Nc1nc(N(Cc2ccccc2O)C[C@H]2CCCO2)ncc1[N+](=O)[O-] 89813913 PKXMVHTXKBZNPS-GFCCVEGCSA-N 345.359 1.858 10 40 EDCB O=C1NC2(CCCC2)C(=O)N1CCCNCc1ccc2c(c1)CCO2 54172802 CCJARGRMENJCKH-UHFFFAOYSA-N 343.427 1.966 10 40 EDCB Cc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)no1 55916076 RZWGMLKMANFANA-CQSZACIVSA-N 342.399 1.615 10 40 EDCB O=C1CN(c2ccc(CNC(=O)C3CCCCC3)cc2F)CCN1 69841188 SOVGFGKUBPXRBW-UHFFFAOYSA-N 333.407 1.958 10 40 EDCB O=C1c2ccccc2C(=O)c2c1c(C(=O)NCCCO)c1ccccn21 95475872 AXOFWIXIPQAPOQ-UHFFFAOYSA-N 348.358 1.827 10 40 EDCB COc1ccc(OC)c(N/C=C2\C(=O)N=C(S)N(C3CC3)C2=O)c1 103127158 IDSZUWWOVYYUSV-DHZHZOJOSA-N 347.396 1.817 10 40 EDCB CC(=O)N1CCC(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 58380291 MTYWGXKBTATARV-UHFFFAOYSA-N 329.444 1.944 10 40 EDCB COc1ccc(CN[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1C 72300557 OEMSQGFYHCOFNQ-ZFWWWQNUSA-N 326.462 1.763 10 40 EDCB CCN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 6630189 OBMBWRHDMUCMEU-FMIVXFBMSA-N 346.343 1.344 10 40 EDCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)CNC3=O)c2C)cc1 7986477 INGBMFXLDWGSGA-UHFFFAOYSA-N 341.367 1.837 10 40 EDCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccoc1 409191359 WKJOFNRVPJBDBL-KPKJPENVSA-N 342.332 1.809 10 40 EDCB CN(C)C1=S=C2C(=O)c3sc(=[N+](C)C)sc3C(O)=C2S1 367895550 DIYNECQZZBZTBD-UHFFFAOYSA-O 345.516 1.566 10 40 EDCB O=C(O)c1nc(/N=N/c2ccc(S(=O)(=O)O)cc2)[nH]c1C(=O)O 4353381 OWXHZQOFBPBHNX-CCEZHUSRSA-N 340.273 1.468 10 40 EDCB COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 408549279 RVVBUOAIWVHUIC-UKTHLTGXSA-N 347.346 1.492 10 40 EDCB CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccc(C(N)=O)cc2)c1 72275499 MXIKIYRALLPOLW-FPYGCLRLSA-N 338.367 1.216 10 40 EDCB Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2C(N)=O)c(C)n1-c1ccc(F)cc1 89578153 SUXUBMOATCIRHU-GDBMZVCRSA-N 345.374 1.294 10 40 EDCB CN(C)c1ccc(CN2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 100018571 WBLRWQFVVHCCLM-OIPACUDHSA-N 328.368 1.119 10 40 EDCB Cc1cc(O)c(CN2CCC[C@@H](CNS(C)(=O)=O)C2)cc1C 54544636 MPOVEEGLPXCTGN-AWEZNQCLSA-N 326.462 1.770 10 40 EDCB O=C(O)C1=C[C@H](c2ccc(O)c(O)c2)n2nc(C(F)(F)F)nc2N1 102335929 YHIYENLYACJVHF-SSDOTTSWSA-N 342.233 1.692 10 40 EDCB Cc1c(C)c2ccc(O)c(CN[C@@H]3CCS(=O)(=O)C3)c2oc1=O 9303994 ZPELSWQSGJLWTG-LLVKDONJSA-N 337.397 1.392 10 40 EDCB CCCCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 55339652 RRERURWRKADXJA-OAHLLOKOSA-N 332.448 1.988 10 40 EDCB COC(=O)C1CCN(C(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)CC1 101424897 BLDDFMJNCBGPLS-QZTJIDSGSA-N 335.400 1.363 10 40 EDCB CC(=O)NN1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S 13727956 AUHFYZWGJYKOEM-WUXMJOGZSA-N 330.394 1.882 10 40 EDCB O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2ccc(O)c(O)c2)C1 95997763 JHISTYPAWHATEN-ZDUSSCGKSA-N 341.367 1.984 10 40 EDCB C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(N2CCN(C)CC2)cc1 56336562 ZEMIPNFVDDVOSI-HOCLYGCPSA-N 344.459 1.094 10 40 EDCB COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(N2CCOCC2)cc1 104616 KWVSGCHVTLERED-INIZCTEOSA-N 345.399 1.666 10 40 EDCB COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1 9334873 BZSPDTUIQFJGJO-UHFFFAOYSA-N 340.291 1.483 10 40 EDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OC 105206 XLLGMTRMYLKRBF-UHFFFAOYSA-N 326.761 1.272 10 40 EDCB CN1CCc2cc([C@@H](CNC(=O)C3CC3)N3CCOCC3)ccc21 22733327 NDFIZKMVHNWXGZ-GOSISDBHSA-N 329.444 1.578 10 40 EDCB CN1C(=O)N=C(O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C1=O 103108690 RDPCGRBFJMEYJN-PTNGSMBKSA-N 342.399 1.673 10 40 EDCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374615 MDPVHJGWDFPVIO-WSQKDGNHSA-N 340.382 1.534 10 40 EDCB CCCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC 408814427 ZEGIAWQAZNLZRV-UHFFFAOYSA-N 338.747 1.887 10 40 EDCB Cc1ccc(-n2nc(C)c(C=C3C(=O)NC(=S)NC3=O)c2C)cc1 4649293 KBJKLMKKQSWLLG-UHFFFAOYSA-N 340.408 1.712 10 40 EDCB O=C1NC(=S)NC(=O)C1=C/C=C/c1coc2ccccc2c1=O 554555 POIIEOXVQATVNY-ONEGZZNKSA-N 326.333 1.264 10 40 EDCB Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)nc1N1CCCCC1 101623301 UAAFTMYSSBUFMW-AVGNSLFASA-N 334.380 1.501 10 40 EDCB CN(CCO)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 8991806 RZUJJKBNTKPWGS-UHFFFAOYSA-N 338.363 1.325 10 40 EDCB CNC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(N)c1 225443000 QDRUKEXHTIHABU-UHFFFAOYSA-N 340.427 1.964 10 40 EDCB O=C(O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2)C1=O 408592569 MQCDOLLQMOMBKE-GXDHUFHOSA-N 329.356 1.654 10 40 EDCB CC1=NN(c2ccccc2)C(=O)[C@@H]1C1(O)C(=O)c2ccccc2C1=O 101647469 OOTZBOKPGAQKQT-OAHLLOKOSA-N 334.331 1.836 10 40 EDCB CCCCCCN1C(=O)NC(=O)/C(=C\NCCCn2ccnc2)C1=O 20024261 IRQOYHBHDTVKMN-WYMLVPIESA-N 347.419 1.405 10 40 EDCB NS(=O)(=O)c1ccc(/N=N/c2nc3c(S)ncnc3[nH]2)cc1 3954132 KECAPWAPGSULDL-ISLYRVAYSA-N 335.374 1.704 10 40 EDCB in-vitro O=C(O)c1cccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1 4148346 TXHAOOBHTJURSD-UHFFFAOYSA-N 337.309 1.589 10 40 EDCB Cc1cc(C(=O)N2CCOC[C@H]2CCO)c(C)n1-c1ccccn1 95451155 VSHINOGWGSIASF-OAHLLOKOSA-N 329.400 1.713 10 40 EDCB Cc1cccc(NC(=O)NC=C2C(=O)N(C)C(=O)N(C)C2=O)c1C 408530981 JYCQSEQSOCFTBG-UHFFFAOYSA-N 330.344 1.359 10 40 EDCB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(N2CCOCC2)cc1 104613 KWVSGCHVTLERED-MRXNPFEDSA-N 345.399 1.666 10 40 EDCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1F 101473701 DJIBRMIVHNHIHC-SERMCNLOSA-N 337.376 1.527 10 40 EDCB CC(=O)NN1C(=O)[C@H](/N=N/c2ccc([N+](=O)[O-])cc2)C(C)=NC1=S 68602364 XIEMDOMVTFHJLN-GTVMRRANSA-N 348.344 1.686 10 40 EDCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1O 5683773 RNWJMVVDLANJJL-LCYFTJDESA-N 325.280 1.762 10 40 EDCB CN1C(=O)[C@@H](C(C)(C)[C@H]2SC(=S)N(C)C2=O)SC1=S 1690547 OSKORECZYVIDAB-WDSKDSINSA-N 334.513 1.730 10 40 EDCB CN(C)c1ccc(CN2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 100838104 WBLRWQFVVHCCLM-LUXYFRNMSA-N 328.368 1.119 10 40 EDCB COc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=S)NC1=O 409054481 GMOPAICEDGMMDY-UHFFFAOYSA-N 331.180 1.916 10 40 EDCB c1nc(CCNC2CCN(c3ccc4c(c3)OCCO4)CC2)c[nH]1 12143558 JDPNRAIHKQZWKP-UHFFFAOYSA-N 328.416 1.982 10 40 EDCB COc1ccc(N2CCN[C@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 257272340 NCAXQKQVDJTVBY-HNNXBMFYSA-N 339.386 1.731 10 40 EDCB CC(=O)NN1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5236050 FVMJVTNYMOCKQR-YRNVUSSQSA-N 332.410 1.826 10 40 EDCB COc1ccc(N2N=C(C(=O)c3ccc(C)cc3)C(O)(O)C2=O)cc1 84956 OOGGMRKVJVFYDA-UHFFFAOYSA-N 340.335 1.270 10 40 EDCB O=C(O)[C@H]1Nc2c(C(=O)N3CCOCC3)cccc2[C@H]2C=CC[C@@H]12 1204268 BAFWMUGYCDOMKF-KFNAQCHYSA-N 328.368 1.697 10 40 EDCB C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)O)cc2F)C[C@@H](C)O1 57465537 XIGAWEMXXRNEFL-UPJWGTAASA-N 339.411 1.619 10 40 EDCB CN(C)c1ccc(CNC(=O)CNC(=O)NCc2ccco2)cc1F 58974409 KMYNTQJOTKFCNE-UHFFFAOYSA-N 348.378 1.600 10 40 EDCB CCOC(=O)NCCC(=O)NC1CCN(c2ccc(OC)cc2)CC1 69488596 IMKBIWVWQWZANN-UHFFFAOYSA-N 349.431 1.916 10 40 EDCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCC2)N(C)C)cc1 5340186 BSNVPYQROVTKGD-QGZVFWFLSA-N 346.475 1.530 10 40 EDCB COc1ccc(N/N=N/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 100717459 BQFUAZVTTGKRQY-UHFFFAOYSA-N 329.320 1.080 10 40 EDCB COc1ccc(N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)cc1 44288873 ZCKTULBLRQODIT-AWEZNQCLSA-N 331.416 1.212 10 40 EDCB O=C1N=C(/N=c2\[nH]ccs2)S/C1=C1/C(=O)Nc2ccccc21 89857684 SVCWLRFEWACRMZ-MDZDMXLPSA-N 328.378 1.970 10 40 EDCB CN1CCC(CC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 216899732 HUJOSRZGUKCXGJ-UHFFFAOYSA-N 331.460 1.871 10 40 EDCB COCCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 44012871 QRRMPFALWGDPBJ-UHFFFAOYSA-N 348.355 1.154 10 40 EDCB CC[C@@H](C)N1C(=O)/C(=C\NCCCN(CC)CC)C(=O)N=C1S 102486256 WLJQFRZLBMPNMW-NPRUJURCSA-N 340.493 1.645 10 40 EDCB COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2)C1=O 4748617 YAVUFILUCKCKAS-GXDHUFHOSA-N 329.356 1.353 10 40 EDCB CC(C)(C)N1C(=O)NC(=O)/C(=C\NCCOc2ccccc2)C1=O 6762041 JEWPEFPAQUOGMT-ACCUITESSA-N 331.372 1.416 10 40 EDCB CC(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 95946758 PGXQJYOIVODAEQ-UHFFFAOYSA-N 328.368 1.956 10 40 EDCB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2ccc(F)cc2O)C1 2055772308 UQSBKAQGBWGIJE-KRWDZBQOSA-N 332.379 1.465 10 40 EDCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nn1cnnc1 13371484 QEXGGAIRXFFCKV-SDQBBNPISA-N 347.176 1.891 10 40 EDCB CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)O)cc1 8981607 NUHXLIGAMZXDEO-CYBMUJFWSA-N 341.429 1.602 10 40 EDCB in-vitro O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2ccccn2)o1 59379298 AWSYQIFSWPSDMZ-UHFFFAOYSA-N 331.378 1.740 10 40 EDCB CCN(CC)c1ccc(N/C=C2\C(=O)NC(=S)N(C)C2=O)cc1 2590480 RQZNHCVBMFZFFX-JLHYYAGUSA-N 332.429 1.702 10 40 EDCB O=C(c1ccoc1)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 69559298 RHDAXIVEKYZKTE-UHFFFAOYSA-N 331.328 1.851 10 40 EDCB CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964152 FYONZCPVIUMMPS-QGZVFWFLSA-N 344.459 1.068 10 40 EDCB O=C(O)C(=O)[C@@H]1C(=O)C(=O)[C@H](CCc2cccc3ccccc23)C1=O 104141522 BDDHKPIFPIJFSV-KGLIPLIRSA-N 338.315 1.379 10 40 EDCB COc1ccc(N2CCCN(C(=O)CN3CSCC3=O)CC2)cc1 55877462 DRGPVPVRZCANFI-UHFFFAOYSA-N 349.456 1.267 10 40 EDCB COC(=O)C[C@@H]1C[C@]23O[C@@]2(C(=O)c2c(O)cccc2C3=O)[C@@H](C)O1 169443000 IHXLRPOTFALLKF-ZTMRPBCXSA-N 332.308 1.020 10 40 EDCB biogenic,in-vitro Cc1ccc2nsnc2c1NC=C1C(=O)N(C)C(=O)N(C)C1=O 408526311 AWAYJZITWNGPNS-UHFFFAOYSA-N 331.357 1.346 10 40 EDCB COc1ccc(-n2nnnc2CNC(=O)NCc2ccccc2)cc1 9571380 IZWCFUYKFFPPBP-UHFFFAOYSA-N 338.371 1.670 10 40 EDCB CCN(CC)CCN/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 100792292 AGQVHIPBCKTRNS-SDNWHVSQSA-N 348.378 1.224 10 40 EDCB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccccc1O 48325490 PPQFQBKWFRPZSP-KRWDZBQOSA-N 325.368 1.729 10 40 EDCB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1 408547928 AVJALWVOQPHGHS-GXDHUFHOSA-N 331.372 1.599 10 40 EDCB C[C@H]1C(=O)NCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 72270199 OLOGEPJOXSPWRM-KGLIPLIRSA-N 346.431 1.114 10 40 EDCB COc1ccc(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)cc1 101479834 CLZRMUPGLRLKAJ-GULXKOIASA-N 349.412 1.396 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCCN(C)C)C2=O)cc1C 20323969 UKOKOZLAVDIAJO-PTNGSMBKSA-N 344.415 1.311 10 40 EDCB CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)N(C)C1=S 59139198 APVPLJLZWHAGCP-UHFFFAOYSA-N 339.760 1.847 10 40 EDCB Cc1ccc(C(=O)Nc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)cc1 3305728 NLGNINISNRBUEH-UHFFFAOYSA-N 349.346 1.997 10 40 EDCB CN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=S 408914589 QZHRWNKDAWTURV-QHHAFSJGSA-N 331.180 1.956 10 40 EDCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(O)ccc1[N+](=O)[O-] 33475824 WOLYNVFNMPHOKZ-LCYFTJDESA-N 325.280 1.762 10 40 EDCB O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1CN1CCOCC1 20163977 IYJKAHPKBLWEKT-UKTHLTGXSA-N 336.438 1.883 10 40 EDCB COc1ccc(N2CCN(C(=O)c3cc(=O)c(OC)co3)CC2)cc1 40284401 VIAMPCLPRSYTOY-UHFFFAOYSA-N 344.367 1.619 10 40 EDCB CCOC(=O)[C@@H]1CCCN(/C=C2/SC(=S)N(CC)C2=O)C1 12631586 UDCZKMFPYCKGFS-OYVNLZQHSA-N 328.459 1.983 10 40 EDCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OC(C)=O 408757049 ZJZIYWUFVSGKMT-QPEQYQDCSA-N 334.353 1.727 10 40 EDCB CCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 5340673 RKHVKISOPBLZEX-QGZVFWFLSA-N 346.475 1.532 10 40 EDCB COC(=O)/C=C/c1ccc(N2CCN([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 72272281 AFWLLKFXOQPFOU-BPJJOFIESA-N 349.387 1.284 10 40 EDCB CCN(CC)CCN/C=C1/C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2304229 AGQVHIPBCKTRNS-KAMYIIQDSA-N 348.378 1.224 10 40 EDCB O=S(=O)(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCC1 96404153 LAQQACMXXQNHOK-UHFFFAOYSA-N 343.424 1.093 10 40 EDCB Cc1ccc2c(=O)c(/C=C/C=C3C(=O)NC(=S)NC3=O)coc2c1 554118 CIJBJDRWMVRCRO-NSCUHMNNSA-N 340.360 1.572 10 40 EDCB O=c1cc(CN2CCC3(CC2)OCCO3)c2ccc(O)c(O)c2o1 54306989 ASULXAUUTXWVIU-UHFFFAOYSA-N 333.340 1.543 10 40 EDCB biogenic Cc1[nH]cnc1CSCCNC(=O)C(=O)Nc1ccc(O)cc1 36357162 WVQUPDCXIKZXLB-UHFFFAOYSA-N 334.401 1.412 10 40 EDCB COc1ccc(N2CCN(C(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)CC2)cc1 71281349 GHHIMOANADRQHU-LSDHHAIUSA-N 332.400 1.701 10 40 EDCB O=C1/C(=C\c2cccc(O)c2)SC(=S)N1CCS(=O)(=O)O 27533456 VIWFQMLNWMVYBB-JXMROGBWSA-N 345.423 1.481 10 40 EDCB OCC1CCN(c2ccc(CNc3ccc4nnnn4n3)cc2)CC1 52446625 KVUXLRQLXSNBRU-UHFFFAOYSA-N 339.403 1.340 10 40 EDCB Cn1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cn1 55916919 CNIPFXRALAATLP-CQSZACIVSA-N 341.415 1.052 10 40 EDCB CN1C(=O)N=C(O)/C(=C2\C[C@H](c3ccc(N(C)C)cc3)NN2)C1=O 8739798 MYCIBIURGYRFNH-LPJIALBHSA-N 329.360 1.094 10 40 EDCB CC(=O)NN1C(=O)[C@H](N=Nc2ccc([N+](=O)[O-])cc2)C(C)=NC1=S 245241096 XIEMDOMVTFHJLN-LLVKDONJSA-N 348.344 1.686 10 40 EDCB O=C(O)C1=C[C@@H](c2ccc(O)c(O)c2)n2nc(C(F)(F)F)nc2N1 102335924 YHIYENLYACJVHF-ZETCQYMHSA-N 342.233 1.692 10 40 EDCB CN1C(=O)C(=CNc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 12062395 IUAJHRYXQHHXGD-UHFFFAOYSA-N 338.707 1.594 10 40 EDCB N=C1C=CC(=[S@](=O)(O)Nc2c(C(=O)O)nc3ccccn23)C=C1 409415847 OUBBHZPYSGEVSB-UHFFFAOYSA-N 332.341 1.435 10 40 EDCB CN(C)c1ccc(/C=C/c2nc3ncnn3c(O)c2[N+](=O)[O-])cc1 16186339 NCXKHJQLVYHAJZ-VMPITWQZSA-N 326.316 1.975 10 40 EDCB C[C@H](NC=C1C(=O)NC(=O)NC1=O)c1ccc(Br)cc1 101215399 UORLGKPOZLJWSK-ZETCQYMHSA-N 338.161 1.350 10 40 EDCB Cc1cccc(N2C(=O)/C(=C\NN3CCCCC3)C(=O)N=C2O)c1 17160869 HWWQUCRRKWJXOJ-KAMYIIQDSA-N 328.372 1.657 10 40 EDCB COc1ccccc1N1CCN(C[C@@H](O)c2ccc(O)c(O)c2)CC1 31298024 QESTYTNSJJTQCI-GOSISDBHSA-N 344.411 1.962 10 40 EDCB in-man CO[C@H]1C=C[C@@](CNC(=O)CCn2c(=O)oc3ccccc32)(OC)O1 4121553 QKUDYGDWPFPRCH-NVXWUHKLSA-N 348.355 1.002 10 40 EDCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(CC)C1=O)OCO2 409390507 DNFAPYNGONHPEB-BJMVGYQFSA-N 348.380 1.461 10 40 EDCB CN1C(=O)/C(=C\c2ccc(C(=O)N3CCOCC3)cc2)SC1=S 4942299 BYHBTQWKIGXSAX-JLHYYAGUSA-N 348.449 1.990 10 40 EDCB CCCC[C@H](CC)COCCCN/C=C1\C(=O)NC(=O)N(C)C1=O 6635904 VMUVSQZZGKOPIM-UQRISPGASA-N 339.436 1.791 10 40 EDCB O=C(O)c1ccc2c(c1NCCCO)C(=O)c1ccccc1C2=O 4118922 YPUKMBONHHGPAW-UHFFFAOYSA-N 325.320 1.955 10 40 EDCB CN(C)CCN/C=C1/C(=O)N=C(S)N(c2ccc(F)cc2)C1=O 102535233 MLFKNVQNCWMUGZ-XFXZXTDPSA-N 336.392 1.020 10 40 EDCB CSc1nc(N)c(/N=N/c2ccc(S(N)(=O)=O)cc2)c(O)n1 104054786 ZVRUUICHWFTJNK-WUKNDPDISA-N 340.390 1.549 10 40 EDCB CCCn1nc(C(=O)NCc2ccc3c(c2)CCCN3C)ccc1=O 58768836 LRXOQPNKBYGOIA-UHFFFAOYSA-N 340.427 1.966 10 40 EDCB COc1ccccc1N1C(=O)/C(=C/NN2CCCCC2)C(=O)N=C1O 17147103 SXLKGOSZDFLCTL-VAWYXSNFSA-N 344.371 1.357 10 40 EDCB O=C1NC(=O)C(=CNc2ccc(Br)cc2Cl)C(=O)N1 75261181 VOQLGOOCKIBVPR-UHFFFAOYSA-N 344.552 1.764 10 40 EDCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OC(C)=O 59139576 BMPUKCUEICQQTC-UHFFFAOYSA-N 348.380 1.219 10 40 EDCB CN1C(=O)N=C(O)/C(=C2\C[C@@H](c3ccc(N(C)C)cc3)NN2)C1=O 8739799 MYCIBIURGYRFNH-IBPBOOLHSA-N 329.360 1.094 10 40 EDCB COc1ccc(N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 8013540 HGNBLWNUVKCAFF-UHFFFAOYSA-N 337.383 1.929 10 40 EDCB Cc1ccc(-c2csc(NC=C3C(=O)NC(=S)NC3=O)n2)cc1 17051822 XXJQARRAMFMKLF-UHFFFAOYSA-N 344.421 1.945 10 40 EDCB CC(C)(C)C(=O)NCCC(=O)NCc1ccc(N2CCOCC2)cc1 56199308 PNOKIWBVIPMLKH-UHFFFAOYSA-N 347.459 1.692 10 40 EDCB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NC[C@H]1CCCO1 5763482 XWCRTORVLPZOGD-OZYJXZHSSA-N 347.346 1.057 10 40 EDCB Cc1cc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)no1 36393804 ZBUGUXNLCQOCOQ-UHFFFAOYSA-N 331.372 1.735 10 40 EDCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cccc(C(=O)O)c1 13424458 FSDWSHJQSYDHPN-ZSOIEALJSA-N 325.324 1.973 10 40 EDCB COc1cccc(CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c1O 77837629 CLBOMNBFOMEONZ-UHFFFAOYSA-N 336.294 1.934 10 40 EDCB Cc1cccc(N2C(=O)N=C(O)/C(=C/NCCCN(C)C)C2=O)c1 102575131 FFNVRFRNYKXXEL-KAMYIIQDSA-N 330.388 1.843 10 40 EDCB CCOc1ccc(N2C(=O)/C(=C\NC3CC3)C(=O)NC2=S)cc1 6493507 GTFVGJWDQDCNQC-LCYFTJDESA-N 331.397 1.469 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCCC(=O)O)C2=O)c(C)c1 100958874 QIWOEIUVANNCLJ-XFXZXTDPSA-N 345.355 1.225 10 40 EDCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc[nH]c1=O 10907971 MPUFDEMDZTWKHE-UHFFFAOYSA-N 327.384 1.484 10 40 EDCB COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OC 12504547 YRODMNNSVWBMBR-WDZFZDKYSA-N 339.394 1.990 10 40 EDCB Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/N)C2=O)cc1C 8300827 NVJIERRBBXKLMQ-YVMONPNESA-N 338.161 1.491 10 40 EDCB COc1ccc(/C=C2/SC(N3CCN(C(C)=O)CC3)=NC2=O)cc1 12378267 ATBKNDRBCJFZSK-RVDMUPIBSA-N 345.424 1.830 10 40 EDCB CCCCCCN1C(=O)NC(=O)/C(=C\N[C@@H]2CCCC[C@H]2N)C1=O 19362878 MIKUAYLWFXGCHG-MRUDHYOASA-N 336.436 1.389 10 40 EDCB C[C@H](CCc1ccc(C(N)=O)cc1)NC[C@H](O)c1ccc(O)c(O)c1 6036485 MEPKHRALNXMWTH-XIKOKIGWSA-N 344.411 1.841 10 40 EDCB COc1ccc(N2CCOCC2)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 71286729 MHPSFYISRVPFCX-GJZGRUSLSA-N 348.399 1.827 10 40 EDCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccccc3O)S2)CC1 4812504 KGIUTIANTQIKIP-GXDHUFHOSA-N 331.397 1.527 10 40 EDCB O=C(O)CCN1C(=O)/C(=C2/OC(=O)c3ccccc32)SC1=S 16805956 IFTZMGWSKLQDDQ-KHPPLWFESA-N 335.362 1.861 10 40 EDCB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(=O)[nH]1 75122490 DQHUUBXSBPDRFO-UHFFFAOYSA-N 327.384 1.450 10 40 EDCB COc1ccccc1N1C(=O)N=C(O)/C(=C/NN2CCCCC2)C1=O 19995864 SXLKGOSZDFLCTL-QXMHVHEDSA-N 344.371 1.993 10 40 EDCB COc1cc(Br)cc(C=C2C(=O)NC(=S)NC2=O)c1 408867270 LGPPOLWREYRULT-UHFFFAOYSA-N 341.186 1.372 10 40 EDCB CN(C)c1ccc(/C=c2\sc3nnc(-c4cccnc4)n3c2=O)cc1 387531 POSSXXCOJXDJMD-GDNBJRDFSA-N 349.419 1.827 10 40 EDCB CCc1ccc(N2C(=O)N=C(O)/C(=C/NN3CCOCC3)C2=O)cc1 20025031 STODISTXFSETFU-KAMYIIQDSA-N 344.371 1.393 10 40 EDCB COc1ccc(N(CCC(N)=O)CC(=O)NCc2ccco2)cc1 9157561 QAZOLIRMVISIJA-UHFFFAOYSA-N 331.372 1.286 10 40 EDCB Cc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[nH]n1 71820076 XCBIMWZUCYRSQF-CQSZACIVSA-N 341.415 1.350 10 40 EDCB O=C1OC[C@@H]2[C@@H](c3ccc(O)c(O)c3)c3cc(O)c(O)cc3C[C@@H]12 4404404 WQECJMDOMUSXDX-PEBVRCNWSA-N 328.320 1.986 10 40 EDCB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccccc2O)nn1 1549162389 UOLYYZWXGXNOAV-ZMSDIMECSA-N 346.431 1.199 10 40 EDCB O=C(O)C1=C[C@H](c2ccccc2O)n2nc(C(F)(F)F)nc2N1 102335920 GPRHXPLGQSSDDO-MRVPVSSYSA-N 326.234 1.986 10 40 EDCB Nc1nc(Cl)cc(NCc2ccc(N3CCNC(=O)C3)cc2)n1 29627439 LWBFDXHWXHRIOG-UHFFFAOYSA-N 332.795 1.261 10 40 EDCB Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1cc(O)c(O)c(O)c1)O2 14437964 NZRLODDQFPZTPM-JKSUJKDBSA-N 334.280 1.200 10 40 EDCB biogenic NC(=O)[C@H]1CN(Cc2c(O)ccc3oc4c(c23)CCCC4)CCO1 50926348 ZMXDTFNZJRVDJQ-MRXNPFEDSA-N 330.384 1.703 10 40 EDCB O=C(O)C(=O)[C@@H]1C(=O)C(=O)[C@@H](CCc2cccc3ccccc23)C1=O 104141526 BDDHKPIFPIJFSV-KBPBESRZSA-N 338.315 1.379 10 40 EDCB CN(C)c1ccc([C@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1 22241547 YAXRZDGMADEDPG-HNNXBMFYSA-N 334.383 1.750 10 40 EDCB CN(C)CCCN/C=C1/C(=O)N(C)C(=S)N(c2ccccc2)C1=O 101345646 QHXQZBWDGIOPHK-OWBHPGMISA-N 346.456 1.202 10 40 EDCB CN1C(=O)C(=CNc2ccc3oc(=O)ccc3c2)C(=O)N(C)C1=S 9060674 UYHBLKDJVPPTPK-UHFFFAOYSA-N 343.364 1.304 10 40 EDCB CC1(C)[C@H]2CC[C@]1(C(=O)NCc1ccc3c(c1)OCO3)C(=O)C2=O 100261974 ATONOOOBPWOSFD-BBATYDOGSA-N 329.352 1.606 10 40 EDCB Cc1ccccc1N1C(=O)/C(=C\NN2CCCCC2)C(=O)N=C1O 17145696 MIPUSYWMDXBNBY-QBFSEMIESA-N 328.372 1.657 10 40 EDCB CO[C@H]1C[C@H](NC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@@H](CN=[N+]=[N-])O1 5373117 UGIMTQTXIBCYDU-GBJTYRQASA-N 348.359 1.788 10 40 EDCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(F)c1 101467943 GLGPLMMGQCXRKY-JGWKKKPCSA-N 337.376 1.527 10 40 EDCB O=C1CN(c2ccc(CNC(=O)Nc3ccccn3)cc2)CCN1 46984558 XEWAGKDRFHAXTG-UHFFFAOYSA-N 325.372 1.340 10 40 EDCB Nc1nonc1/N=N\N(Cc1ccccc1[N+](=O)[O-])c1nonc1N 12375490 KYBPFKXQCCEHCE-RGEXLXHISA-N 346.267 1.231 10 40 EDCB CCN1C(=O)/C(=C\C=C/c2ccccc2[N+](=O)[O-])C(=O)NC1=S 12411870 LQMOGSZBRIMXNJ-HRTWQDJISA-N 331.353 1.798 10 40 EDCB COc1cc(/C=C2/C(=O)N(c3nn[nH]n3)N=C2C)cc(Cl)c1O 5961382 VAAJSFMYDXDQPZ-FPYGCLRLSA-N 334.723 1.373 10 40 EDCB COc1ccc(C(=O)NC2(OC)C(=O)c3ccccc3C2=O)cc1 226297965 CWGRQNMFTJNSKY-UHFFFAOYSA-N 325.320 1.847 10 40 EDCB COc1ccc(N2CCN(C(=O)CSc3ncn[nH]3)CC2)cc1 5620809 AAWVBUUTUBJGIJ-UHFFFAOYSA-N 333.417 1.254 10 40 EDCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(C)ccc1O 103518911 IRIPQQUIJHENDB-OEMOTLHWSA-N 349.412 1.402 10 40 EDCB COc1ccc(N2CCN(C(=O)N[C@H](C)c3nncn3C)CC2)cc1 65401483 HCCRUKJLZDKSJO-CYBMUJFWSA-N 344.419 1.417 10 40 EDCB CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)N(CC)C1=S 5312028 JTVBLRPISFUZNO-UHFFFAOYSA-N 332.381 1.794 10 40 EDCB CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(N(C)C)cc1 1432464 PZTGHTLHBKIEFW-UONOGXRCSA-N 347.444 1.975 10 40 EDCB Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccccn1 73744537 CZEIDZIWLYEKRE-QGZVFWFLSA-N 347.440 1.796 10 40 EDCB COc1ccc(-n2nnnc2CNC(=O)NC2CCCCC2)cc1 10594681 AEEBZSMSVRRFGP-UHFFFAOYSA-N 330.392 1.803 10 40 EDCB Cc1ccc2nc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)sc2c1 408537612 GICNFDUJXAXWGV-UHFFFAOYSA-N 330.369 1.951 10 40 EDCB COC(=O)C[C@@H]1C[C@]23O[C@]2(C(=O)c2c(O)cccc2C3=O)[C@H](C)O1 252505032 IHXLRPOTFALLKF-YCLQXWMPSA-N 332.308 1.020 10 40 EDCB biogenic,in-vitro CCn1cnnc1CNC(=O)NCCCSc1nccs1 75108330 RGNDLTHYPLXGOT-UHFFFAOYSA-N 326.451 1.736 10 40 EDCB O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H]1CCCO1 57418582 AYXMEQJLRUSYBC-GOSISDBHSA-N 347.459 1.874 10 40 EDCB Nc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 31343299 FOIJILXQFMCPQD-SFHVURJKSA-N 327.428 1.831 10 40 EDCB CCCN1C(=O)/C(=C\Nc2cc([N+](=O)[O-])ccc2C)C(=O)NC1=S 6907436 NOEQMTJSDWJPKA-FLIBITNWSA-N 348.384 1.852 10 40 EDCB CN(C)c1ccc(N/C=C2/C(=O)NC(=S)N(C3CC3)C2=O)cc1 96787043 IAZWQWGLPITWNJ-LCYFTJDESA-N 330.413 1.454 10 40 EDCB Cc1ccc(N/N=N/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1C 4478088 OWYVINRYXXOABX-UHFFFAOYSA-N 327.348 1.688 10 40 EDCB CCN(C)c1ccc(CNS(=O)(=O)C[C@H]2CCCO2)cc1F 71921635 SDHFPVMCTRYTDS-CYBMUJFWSA-N 330.425 1.880 10 40 EDCB CCOc1cc2c(cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)OCO2 409108707 YVFRBWORSJLEAB-UHFFFAOYSA-N 332.312 1.248 10 40 EDCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CCS(=O)(=O)O 6505763 GLCRRKKWSXECLG-JXMROGBWSA-N 347.414 1.915 10 40 EDCB Cn1cnnc1[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 93809907 RWYSBIZGTTXZGG-QGZVFWFLSA-N 327.432 1.989 10 40 EDCB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccncc2)C1=O 13806056 GPZFYDHDUKLJCW-XFXZXTDPSA-N 344.421 1.966 10 40 EDCB Cc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccn1 23193096 JVQGRYBUCWFVKL-CQSZACIVSA-N 347.440 1.748 10 40 EDCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCS(=O)(=O)O 6882856 SQDXDXYMKRCTCF-JXMROGBWSA-N 347.414 1.915 10 40 EDCB CC(=O)NN1C(=O)[C@H](/N=N\c2ccc([N+](=O)[O-])cc2)C(C)=NC1=S 100643925 XIEMDOMVTFHJLN-YZSSSTSJSA-N 348.344 1.686 10 40 EDCB Cc1ccccc1N1C(=O)/C(=C/NCCCN(C)C)C(=O)NC1=S 20025837 FXPJSRYSXKFFGA-ACCUITESSA-N 346.456 1.168 10 40 EDCB CCCCN1C(=O)/C(=C\NCCCN(CC)CC)C(=O)N=C1S 102484244 NOXICRQEEMCLRB-SEYXRHQNSA-N 340.493 1.647 10 40 EDCB O=C1/C(=C/c2ccccc2)SC(=S)N1N1C(=O)[C@H]2C[C@@H]2C1=O 100436227 UQFVECUAHPNBRR-XAUWEXIGSA-N 330.390 1.808 10 40 EDCB CNC(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc2c(cc1O)OCO2 1587926 DSSMJYJURFDPIA-MRXNPFEDSA-N 344.323 1.868 10 40 EDCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NC[C@H]1CCCO1 13554979 GRZJLYNWHJBCAU-MKRLJBPISA-N 330.344 1.970 10 40 EDCB CCOC(=O)C1=C(C)N(N)C(=S)N[C@@H]1c1ccc(N(C)C)cc1 6387130 MUDZHJZNUYIDSV-CQSZACIVSA-N 334.445 1.695 10 40 EDCB Nc1ccc(CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575420903 KYVQVRUSSCXXHR-MSOLQXFVSA-N 346.452 1.429 10 40 EDCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccccc1C(=O)O 408812628 NNBPYACBSKCDMK-JYRVWZFOSA-N 325.324 1.973 10 40 EDCB COc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=S)NC1=O 34926915 UCQJIFLVZZFRDN-VIFPVBQESA-N 340.382 1.239 10 40 EDCB O=C(Cc1ccccc1F)NCc1ccc(N2CCNC(=O)C2)cc1 72278483 CRWPYONPLZINJK-UHFFFAOYSA-N 341.386 1.621 10 40 EDCB CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(N(C)C)cc1 1432463 PZTGHTLHBKIEFW-KGLIPLIRSA-N 347.444 1.975 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCCC(=O)O)C2=O)cc1C 100947680 YRZAVHGKLHMOPC-LCYFTJDESA-N 345.355 1.225 10 40 EDCB Cc1noc(C)c1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 76018267 DYKFFBBJOIAXPC-UHFFFAOYSA-N 342.399 1.929 10 40 EDCB COCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)NC1=S 2145943 JNJWYNYRQUMNPS-QINSGFPZSA-N 331.441 1.991 10 40 EDCB O=C1/C(=C\c2ccccc2F)SC(=S)N1CCS(=O)(=O)O 2829694 CYXYRPVFKDBIBI-JXMROGBWSA-N 347.414 1.915 10 40 EDCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NN1CCN(C)CC1 112111239 SNMLZFZQJAAVEU-VBKFSLOCSA-N 331.395 1.574 10 40 EDCB CCCCCCN1C(=O)NC(=O)/C(=C\N[C@H]2CCCC[C@@H]2N)C1=O 20292141 MIKUAYLWFXGCHG-GHYUOPHCSA-N 336.436 1.389 10 40 EDCB COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 22024959 ZXXCDRVVFOQELE-HZPDHXFCSA-N 347.459 1.453 10 40 EDCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/NCc1ccccn1 5626443 PNVSPGMAEAKWJL-SDNWHVSQSA-N 338.392 1.503 10 40 EDCB O=C1/C(=C/c2cccnc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 5983738 SPNNEPQLTTUSOV-CHPNCVJKSA-N 340.451 1.470 10 40 EDCB O=C(NCc1cccc(O)c1O)Nc1cnn(C[C@@H]2CCCO2)c1 1615615095 SKWPJNYUAIHFTM-ZDUSSCGKSA-N 332.360 1.795 10 40 EDCB Cc1cccc2c1C(=O)N[C@H](c1ccc(N3CCNC(=O)C3)cc1)N2 78755742 JPXPKZWYFBGLGW-GOSISDBHSA-N 336.395 1.785 10 40 EDCB COC(=O)CCCNC(=O)N1CCN(c2ccc(OC)cc2)CC1 9339442 NOFDKGYATPOPGC-UHFFFAOYSA-N 335.404 1.480 10 40 EDCB O=C(NCc1ccccc1O)C(=O)Nc1ccc2c(c1)OCCO2 84504731 LHSOANZHDMGAGF-UHFFFAOYSA-N 328.324 1.418 10 40 EDCB COc1ccc(N2CCOCC2)cc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 71286726 MHPSFYISRVPFCX-LSDHHAIUSA-N 348.399 1.827 10 40 EDCB COc1ccc(N2CCC(NS(=O)(=O)N(C)C(C)C)CC2)cc1 65537992 VZAPAWSPGWOEQT-UHFFFAOYSA-N 341.477 1.839 10 40 EDCB Cc1ccc(N2C(=O)/C(=C/NN3CCOCC3)C(O)=NC2=S)cc1 34210501 ZDSOUSBYNORBJQ-JLHYYAGUSA-N 346.412 1.304 10 40 EDCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1O 4992965 WGVHWXXXGNQRFH-XYOKQWHBSA-N 330.340 1.805 10 40 EDCB NC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 71837332 VNGBSPFAYIJWFI-OAHLLOKOSA-N 330.432 1.694 10 40 EDCB COc1ccc(N2CCN(C(=O)CCCCCNC(N)=O)CC2)cc1 8138885 KSCNJMIUVWSQPP-UHFFFAOYSA-N 348.447 1.573 10 40 EDCB O=C1/C(=C\c2ccccc2O)SC(=S)N1CCS(=O)(=O)O 35038752 XEROAONKYBFVHN-JXMROGBWSA-N 345.423 1.481 10 40 EDCB Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccn1 44915091 USYJEYIDUAYUDD-CYBMUJFWSA-N 333.413 1.406 10 40 EDCB COc1cc(Br)cc(C=C2C(=O)NC(=O)NC2=O)c1 408871766 XDTOAMPOJHPZPU-UHFFFAOYSA-N 325.118 1.207 10 40 EDCB COc1ccc(N2N=C(C)/C(=C(\C)NN3CCN(C)CC3)C2=O)cc1 112113459 ZFFPVVZHVHTYGF-LGMDPLHJSA-N 343.431 1.444 10 40 EDCB CN1CCCc2cc(CNC(=O)CCCNC(=O)C3CC3)ccc21 57550051 BTLRCPWCPFDINP-UHFFFAOYSA-N 329.444 1.992 10 40 EDCB CC(=O)N1[C@@H](C(=O)N2CCOCC2)CS[C@H]1c1ccccc1O 27118124 KZEGRPAHBAPEJL-CJNGLKHVSA-N 336.413 1.214 10 40 EDCB COCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1CC(=O)OC 4999664 RUYMIIDMHBLBRN-VBKFSLOCSA-N 331.372 1.462 10 40 EDCB CN(C)c1ccc(CNC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1 8504561 SNNRGBWOWDMJII-UHFFFAOYSA-N 347.444 1.381 10 40 EDCB CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br 408752724 JTBLNVHGEUPXKI-UHFFFAOYSA-N 339.145 1.597 10 40 EDCB CN(C)c1ccc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)cc1 12552899 NTZWVFQPFIYQGX-UHFFFAOYSA-N 338.411 1.722 10 40 EDCB CCN1CCO[C@@H](CNCc2ccc(N3CCOCC3)c(F)c2)C1 69774046 LDOPGTWKJCHPKT-INIZCTEOSA-N 337.439 1.473 10 40 EDCB Cc1cccc2c1NC(=O)/C2=C1\SC(=S)N([C@@H](C)C(=O)O)C1=O 1810452 HZBANZUPRUKHMU-NLMLTAHDSA-N 348.405 1.992 10 40 EDCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/N1CCc2ccccc21 102569993 KZZVESONJTZCJX-MFYHJKBNSA-N 345.424 1.338 10 40 EDCB Cc1cn2nc(NCc3ccc(N4CCNC(=O)C4)cc3)sc2n1 29627437 JWNSZPNHIYGRNE-UHFFFAOYSA-N 342.428 1.648 10 40 EDCB COC(=O)COc1c(/C=C2\SC(=S)NC2=O)cccc1OC 408534489 SOSMXPKGBZXWFP-POHAHGRESA-N 339.394 1.736 10 40 EDCB CN(C)c1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1 5680366 WBLRWQFVVHCCLM-KRXQYRFLSA-N 328.368 1.119 10 40 EDCB CN(C)c1cccc2c(C=C(C(N)=O)C(N)=O)ccc(N(C)C)c12 558724 QKOFVPNSOCDWDT-UHFFFAOYSA-N 326.400 1.326 10 40 EDCB O=C1/C(=C\c2ccccn2)SC(=S)N1CCN1CCOCC1 96930793 OOMRXDYPEWLKRA-ACCUITESSA-N 335.454 1.615 10 40 EDCB CC[C@@H](C)N1C(=O)/C(=C/NCCCN(CC)CC)C(=O)NC1=S 20326374 WLJQFRZLBMPNMW-RVROTUBLSA-N 340.493 1.234 10 40 EDCB O=C(/C=C/c1ccco1)NCc1ccc(N2CCNC(=O)C2)cc1 32915684 NXEKCTXLECFJII-BQYQJAHWSA-N 325.368 1.545 10 40 EDCB COc1ccc(N(Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C2CC2)cc1 69898354 SDXDMLGFJOJEMY-CYBMUJFWSA-N 343.427 1.898 10 40 EDCB CN1N[C@@H](c2ccccc2O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 101130131 LUAULCKNWSNUHE-OWCLPIDISA-N 329.400 1.570 10 40 EDCB O=C(CN1CCCCCC1=O)NCc1ccc(N2CCOCC2)cc1 65522729 KYRUAPADQBYVPZ-UHFFFAOYSA-N 345.443 1.542 10 40 EDCB O=C(O)CN(CC(=O)O)Cc1c(O)c(C(=O)O)cc2ccccc12 22114999 MTKGUPAGIGMUNP-UHFFFAOYSA-N 333.296 1.215 10 40 EDCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccnc1 408771251 DWKZHQAEIGGUBB-UHFFFAOYSA-N 338.367 1.923 10 40 EDCB COc1ccc(OC)c(NC(=O)C[C@H]2SC(=S)NC2=O)c1 34926834 RSTPOSPLJLWUBB-SNVBAGLBSA-N 326.399 1.549 10 40 EDCB CN(C)CCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 5393063 UITQDJOPVWMUAS-UHFFFAOYSA-N 326.352 1.847 10 40 EDCB O=C(CCNC(=O)C1CCCC1)NCc1cc([N+](=O)[O-])ccc1O 44918034 OVZIOVDWGLPOKB-UHFFFAOYSA-N 335.360 1.613 10 40 EDCB Cn1c(C=C2C(=O)NC(=O)NC2=O)ccc1-c1ccc([N+](=O)[O-])cc1 5234464 MPXXAGNCCWDXIB-UHFFFAOYSA-N 340.295 1.350 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccnc3)cc2)C1 55916322 CQSAWWMWYUSLEC-MRXNPFEDSA-N 338.411 1.713 10 40 EDCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/NCCN(C)C)C2=O)c(C)c1 20024627 RVNGDTBDHXLVTP-UVTDQMKNSA-N 344.415 1.230 10 40 EDCB Cc1cc(C(=O)N2CCOC[C@@H]2CCO)c(C)n1-c1ccccn1 95451154 VSHINOGWGSIASF-HNNXBMFYSA-N 329.400 1.713 10 40 EDCB Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccccn1 73744541 CZEIDZIWLYEKRE-KRWDZBQOSA-N 347.440 1.796 10 40 EDCB COc1ccc(N2CCN[C@@H](C(=O)NCCc3nccs3)C2)cc1 257246820 IVYSGDFLDYHGMC-OAHLLOKOSA-N 346.456 1.289 10 40 EDCB COC(=O)C(=[N+]=[N-])C(=O)c1ccccc1I 4692008 PGEHRRCNCVLELO-UHFFFAOYSA-N 330.081 1.318 10 40 EDCB COc1ccc(/C=C2/SC(N3CCN(CCO)CC3)=NC2=O)cc1 20289530 UYHNSFCLLMEROD-NTCAYCPXSA-N 347.440 1.275 10 40 EDCB CN1C(=O)C(=CNC23CC4CC(CC(C4)C2)C3)C(=O)N(C)C1=S 24982499 CDUHDSGITIZTRV-UHFFFAOYSA-N 333.457 1.644 10 40 EDCB CCN(C)c1ccc(CNS(=O)(=O)C2CCOCC2)cc1F 95400908 ZYXUOEURECCWMZ-UHFFFAOYSA-N 330.425 1.880 10 40 EDCB COc1ccc(N2C(=O)/C(=C/NN3CCCCC3)C(=O)N=C2O)cc1 9088465 CXSIMXOGPCROGO-SDNWHVSQSA-N 344.371 1.357 10 40 EDCB C[C@H](NC(=O)N[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1 69841210 IZVGTBITNSDOJZ-BBRMVZONSA-N 346.431 1.162 10 40 EDCB COCc1cc(=O)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 22448358 KPYMRSXUZHRJGW-UHFFFAOYSA-N 330.388 1.252 10 40 EDCB NC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 46941678 IRGLVPQJTFDIHC-CQSZACIVSA-N 348.472 1.257 10 40 EDCB Nc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1 31343302 FOIJILXQFMCPQD-GOSISDBHSA-N 327.428 1.831 10 40 EDCB CCOC(=O)[C@@H]1CCCN(/C=C2\SC(=S)N(CC)C2=O)C1 2404087 UDCZKMFPYCKGFS-QLWWJYNRSA-N 328.459 1.983 10 40 EDCB NC(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 71837331 VNGBSPFAYIJWFI-HNNXBMFYSA-N 330.432 1.694 10 40 EDCB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(N(C)C)cc1 190153 VLVGXOFAZVUGQS-CQSZACIVSA-N 328.376 1.591 10 40 EDCB C[C@@H](NC(=O)NCCCSc1nccs1)c1nncn1C 75108336 ZDVSTTAZYCAOGF-SECBINFHSA-N 326.451 1.814 10 40 EDCB C[C@H](NC(=O)N1CCNC(=O)[C@@H]1C)c1ccc(N2CCOCC2)cc1 72270197 OLOGEPJOXSPWRM-KBPBESRZSA-N 346.431 1.114 10 40 EDCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/NCCCn1ccnc1 6188454 RNTLWPQILRERMV-SDNWHVSQSA-N 345.403 1.158 10 40 EDCB CN(C)c1oc(/C=C2/C(=O)NC(=O)N=C2O)cc1Br 59105222 YDCZEPIODKBRPC-UHFFFAOYSA-N 328.122 1.698 10 40 EDCB O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1ccc(N2CCCC2)cc1 76991150 NOFJIBKYKZFQKK-HNNXBMFYSA-N 336.457 1.728 10 40 EDCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(C)C2=O)cc1 4091826 APVVGFGKGAETPF-GXDHUFHOSA-N 341.392 1.742 10 40 EDCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@@H]1[N+](=O)[O-] 57176612 COKCDDFRKDCDQJ-WFASDCNBSA-N 337.351 1.068 10 40 EDCB Cc1cc(=O)oc2c(CN[C@]3(C)CCS(=O)(=O)C3)c(O)ccc12 9485094 BEYQGYHNQVCZCN-MRXNPFEDSA-N 337.397 1.474 10 40 EDCB CN1C(=O)C(=Cc2ccc(Sc3ncccn3)o2)C(=O)N(C)C1=O 409099379 QVXXBXNJDVPNSR-UHFFFAOYSA-N 344.352 1.655 10 40 EDCB O=C(NCCNCc1cc([N+](=O)[O-])ccc1O)c1ccccc1F 75126685 APQGNPNTGHOAQH-UHFFFAOYSA-N 333.319 1.959 10 40 EDCB Cc1cc(Br)ccc1NC=C1C(=O)NC(=S)NC1=O 17011245 CPDFTOLLTPVTDT-UHFFFAOYSA-N 340.202 1.584 10 40 EDCB COc1ccc(N2C(=O)N=C(O)/C(=C/NCCCN(C)C)C2=O)cc1 102602306 GFOSHDKLOAXJPF-KAMYIIQDSA-N 346.387 1.544 10 40 EDCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(OC)c1OC 5562607 QJBAXBDTLFYIBI-GHXNOFRVSA-N 336.369 1.819 10 40 EDCB CC(=O)O[C@H]1[C@H](CN=[N+]=[N-])OCO[C@H](CN=[N+]=[N-])[C@@H]1OC(C)=O 17257758 RZYLMGQKXGXGJZ-VLEAKVRGSA-N 328.285 1.212 10 40 EDCB CC[C@@H](C)CN/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 2402597 IIRKPHFESYEFHR-UXEDPAHQSA-N 331.372 1.798 10 40 EDCB Cc1ccc(N2C(=O)/C(=C\NN3CCCCC3)C(=O)N=C2O)cc1C 17208697 SACDEIIESXEMIM-PTNGSMBKSA-N 342.399 1.965 10 40 EDCB O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](Cc1ccc(O)cc1)C(=O)O 14824978 JRXLVUMFJASLDR-YOIVXCQUSA-N 343.335 1.629 10 40 EDCB endogenous,in-man CCCC[C@H](CC)COCCCNC=C1C(=O)NC(=S)NC1=O 100374197 HZGJVIYWHPTDTC-LBPRGKRZSA-N 341.477 1.614 10 40 EDCB CN1C(=O)C(=CNc2ccc(Br)cc2)C(=O)N(C)C1=O 6413604 AYIHBWMYYMPGLO-UHFFFAOYSA-N 338.161 1.795 10 40 EDCB CN(C)CCNC(=O)CN1C(=O)/C(=C/c2ccco2)SC1=S 54360894 MGKHCBUFLKYIDD-FLIBITNWSA-N 339.442 1.159 10 40 EDCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1O 409392447 MQPYVIMPQUCZDA-XYOKQWHBSA-N 339.307 1.462 10 40 EDCB O=C1COc2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2N1 526052527 LNULZWLZBQKOMW-UHFFFAOYSA-N 328.324 1.401 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cnns3)cc2)C1 55917438 PIBZZIUOUKDZAN-LBPRGKRZSA-N 345.428 1.170 10 40 EDCB COc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1 180601 YKDFPJQHKJEQAD-UHFFFAOYSA-N 328.349 1.870 10 40 EDCB CCCN1C(=O)/C(=C/N(CC)[C@@H]2CCS(=O)(=O)C2)SC1=S 9484246 FFIMSQJSMHTEDD-UBYNWHESSA-N 348.515 1.607 10 40 EDCB CN1CCCc2cc(CNCc3ccc(S(N)(=O)=O)o3)ccc21 585118248 ICYPWHNERZQQSG-UHFFFAOYSA-N 335.429 1.599 10 40 EDCB Cc1ccc(O)c(CN2CCC(N3CCS(=O)(=O)CC3)CC2)c1 191941130 DOHCDLMMVFGYIP-UHFFFAOYSA-N 338.473 1.395 10 40 EDCB CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NCC(=O)OC 100916569 DSGLRQURYRLCII-WQLSENKSSA-N 337.763 1.683 10 40 EDCB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1O 484815 DWOHHYWRHYMNNZ-NSHDSACASA-N 341.161 1.956 10 40 EDCB CCCCN1C(=O)NC(=O)/C(=C/Nc2ccc(NC(C)=O)cc2)C1=O 6783086 OQUXPYCXJMSUOE-UVTDQMKNSA-N 344.371 1.819 10 40 EDCB COc1ccc(N2CCCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)cc1 55877717 IMBKKIQOHJZAEN-SFHVURJKSA-N 345.443 1.745 10 40 EDCB COc1cccc(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)c1 13569617 QUEHSCSKTAWFJV-MLJKTZRHSA-N 349.412 1.396 10 40 EDCB COCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1CC(=O)OC 4736913 TUVOBCXJPLXHCQ-WJDWOHSUSA-N 349.362 1.601 10 40 EDCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C/Nc1ccc2c(c1)CCC2 17823244 AAYKVUODZLNHFE-NTEUORMPSA-N 327.409 1.877 10 40 EDCB COC(=O)c1cc(C)nc(N2CCN(c3ccc(OC)cc3)CC2)n1 71195436 OGVTTYKPIKDJDK-UHFFFAOYSA-N 342.399 1.907 10 40 EDCB O=C1NC(=O)C(=Cc2ccc(-c3ccc4c(c3)COC4=O)o2)C(=O)N1 6527267 NSCRDTDYRKIJTP-UHFFFAOYSA-N 338.275 1.366 10 40 EDCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccncc2)SC1=S 1826917 TUUIBVDOMQVQRI-CPJBWDMUSA-N 338.366 1.211 10 40 EDCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1O 59139268 JFIFVXNOWMWYFG-UHFFFAOYSA-N 340.788 1.653 10 40 EDCB O=C(O)CCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S 5214767 ZVKXIPSGDRSVSV-YHYXMXQVSA-N 325.367 1.774 10 40 EDCB CCN(CC)c1ccc(/C=c2/sc3nc(=O)c(C)nn3c2=O)cc1 55726 PGYVIYIAFNCFGP-GXDHUFHOSA-N 342.424 1.214 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cn[nH]c3)cc2)C1 57145777 JKJOXMNARUAFRZ-ZDUSSCGKSA-N 342.403 1.433 10 40 EDCB CN1C(=O)/C(=C/c2ccc(OS(C)(=O)=O)cc2)SC1=S 41077628 NAFOWMDCWBTTIR-YFHOEESVSA-N 329.424 1.856 10 40 EDCB CC(=O)N[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)C 10906619 CLFXYMXBKKYVSI-GOSISDBHSA-N 347.459 1.642 10 40 EDCB COC(=O)CCC(=O)NS(=O)(=O)c1ccc(/N=N/N(C)C)cc1 2351103 GNSABPCJGWQJST-JQIJEIRASA-N 342.377 1.005 10 40 EDCB COc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)CC2)cc1 71281353 GHHIMOANADRQHU-GJZGRUSLSA-N 332.400 1.701 10 40 EDCB Oc1cc2c(cc1CN1CCN(Cc3ccncc3)CC1)OCO2 22794602 WYVBTXYJVHKETF-UHFFFAOYSA-N 327.384 1.834 10 40 EDCB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)c([N+](=O)[O-])c1 4256009 BLFNPSZECXTFQU-AWEZNQCLSA-N 348.359 1.852 10 40 EDCB CN(C)c1ccc(CNCc2ccc(S(N)(=O)=O)s2)cc1 585118299 JLNKACKQWPWBCF-UHFFFAOYSA-N 325.459 1.751 10 40 EDCB COc1ccc(/C=C2/SC(=S)N(NC(C)=O)C2=O)cc1OC 13590090 ZIKCWUWPFNYIAG-KPKJPENVSA-N 338.410 1.956 10 40 EDCB COc1ccc(N2CCN(c3ncccn3)[C@@H](C(=O)N(C)C)C2)cc1 72361528 BLTXTUSPIMQXES-MRXNPFEDSA-N 341.415 1.269 10 40 EDCB CN1C(=O)/C(=C\NN2CCCCC2)C(=O)N(c2ccccc2)C1=S 20024603 FFWYLHBCLZKXKH-WYMLVPIESA-N 344.440 1.651 10 40 EDCB CSc1nc(N)c(/N=N\c2ccc(S(N)(=O)=O)cc2)c(O)n1 104054781 ZVRUUICHWFTJNK-MSUUIHNZSA-N 340.390 1.549 10 40 EDCB Cc1c(CC(=O)NCc2ccncc2)c(=O)oc2c(O)c(O)ccc12 5347118 XSIAHWQYURHYHK-UHFFFAOYSA-N 340.335 1.767 10 40 EDCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N=C2O)c2ccccc21 8914203 AVKCIMOBZAKBPT-UHFFFAOYSA-N 327.296 1.404 10 40 EDCB CCN(CC)c1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc1 4193628 BOTITBKUJZHQPO-HNNXBMFYSA-N 326.404 1.551 10 40 EDCB O=C1N=C(N2CCOCC2)S/C1=C\c1cccc2c1OCCO2 54802668 YYMWIXADZRKAIW-RAXLEYEMSA-N 332.381 1.760 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cnns3)cc2)C1 55917439 PIBZZIUOUKDZAN-GFCCVEGCSA-N 345.428 1.170 10 40 EDCB CCc1ccc2nc(NC=C3C(=O)NC(=S)NC3=O)sc2c1 23114577 KURNVJWCCSVZGI-UHFFFAOYSA-N 332.410 1.685 10 40 EDCB COc1ccc(N2CCN(c3nc(OC)cc(OC)n3)CC2)cc1 287073219 SZOQMVJNBASFAJ-UHFFFAOYSA-N 330.388 1.829 10 40 EDCB COc1cc(/C=C2/C(=O)N(c3nc(C)cc(=O)[nH]3)N=C2C)ccc1O 8462297 IQYSUIQYMCFAMI-KPKJPENVSA-N 340.339 1.599 10 40 EDCB Cc1ccccc1-n1c(C)cc(C(=O)N2CCO[C@H](C(N)=O)C2)c1C 50858633 SRUITOGFXHNMQJ-KRWDZBQOSA-N 341.411 1.729 10 40 EDCB Cn1c(-c2ccccc2)cnc1SCc1cc(=O)n(C)c(=O)n1C 11395565 ATHIJBRXHHUVQZ-UHFFFAOYSA-N 342.424 1.777 10 40 EDCB COc1ccc(N2CCCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)cc1 55878292 IDGXEYPFMOLOEW-OAHLLOKOSA-N 345.443 1.602 10 40 EDCB CCCCCCN1C(=O)NC(=O)/C(=C\NN2CCCCCC2)C1=O 5573689 QTCGPTRUTSQVPS-BUHFOSPRSA-N 336.436 1.910 10 40 EDCB COC[C@]1(CC(N)=O)CN(Cc2ccc(N3CCCC3)cc2)CCO1 585277707 KUQWZSHSFLMPTL-IBGZPJMESA-N 347.459 1.380 10 40 EDCB COc1c(CNCc2ccc(N3CCOCC3)cc2)c(C)nn1C 65535311 CLLFKGVENGAIRT-UHFFFAOYSA-N 330.432 1.864 10 40 EDCB Cn1c(=O)c(C2=NNC(=O)/C2=C\c2ccco2)c(O)c2ccccc21 100260991 XILHIWSDODVJRU-XFXZXTDPSA-N 335.319 1.755 10 40 EDCB Cc1nc([C@@H]2CNCCO2)cc(N(C)c2ccc3c(c2)OCCO3)n1 257229544 FYMIMXXDYDVQJM-KRWDZBQOSA-N 342.399 1.985 10 40 EDCB CN(C)c1ccc(CNS(=O)(=O)c2ncn(C)c2Cl)cc1 27959129 CPLJHOIAIQIPFG-UHFFFAOYSA-N 328.825 1.618 10 40 EDCB C[C@@H](NC(=O)C1CCC1)C(=O)NCc1ccc(N2CC=CC2)cc1 101236075 JPFDCHGGEGTDRM-CQSZACIVSA-N 327.428 1.984 10 40 EDCB C[C@H](NC(=O)N1CCNC(=O)[C@H]1C)c1ccc(N2CCOCC2)cc1 72270196 OLOGEPJOXSPWRM-UONOGXRCSA-N 346.431 1.114 10 40 EDCB COc1ccc(N2CCN(c3ccc(C(N)=O)cc3N)CC2)cc1 225442950 LQQWKCOIXQMNAB-UHFFFAOYSA-N 326.400 1.703 10 40 EDCB COC(=O)C[C@H]1C[C@@]23O[C@]2(C(=O)c2c(O)cccc2C3=O)[C@H](C)O1 100071162 IHXLRPOTFALLKF-XLMPQJIHSA-N 332.308 1.020 10 40 EDCB biogenic,in-vitro COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)cc1 71822563 OINLTLFANCZYHK-CQSZACIVSA-N 343.427 1.355 10 40 EDCB Cc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@H](c1cc(O)c(O)c(O)c1)O2 14437962 NZRLODDQFPZTPM-CVEARBPZSA-N 334.280 1.200 10 40 EDCB biogenic,in-vitro O=S(=O)(C1CC1)N1CCC(NCc2ccc3c(c2)CCO3)CC1 79060539 OZVXECUQLYOGOE-UHFFFAOYSA-N 336.457 1.668 10 40 EDCB CN1C(=O)C(=Cc2cc(Br)cs2)C(=O)N(C)C1=O 16049424 VRNRDZINRUJSRF-UHFFFAOYSA-N 329.175 1.944 10 40 EDCB CNC(=O)NC(=O)CCCN1CCCN(c2ccc(OC)cc2)CC1 69417561 XSPVFHZFGHZNTB-UHFFFAOYSA-N 348.447 1.443 10 40 EDCB O=C1NC(=S)N=C(O)/C1=C\NN1CCCC[C@H]1c1cccnc1 17196502 MPNFDVMQSWTRSX-LBPRGKRZSA-N 331.401 1.368 10 40 EDCB biogenic CN1C(=O)NC(=O)/C(=C\Nc2nc3ccc(Cl)cc3s2)C1=O 408530594 MIGSATQHOFEQGH-FNORWQNLSA-N 336.760 1.954 10 40 EDCB COc1ccc(N2C(=O)/C(=C\N3CCCCC3)C(=O)NC2=S)cc1 98086686 ILWMBEMMJRAJNL-KAMYIIQDSA-N 345.424 1.813 10 40 EDCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1O 13814785 IFUMDQUWDOODSR-DDJBPULFSA-N 329.312 1.860 10 40 EDCB COc1cccc(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)c1 101477713 QUEHSCSKTAWFJV-NCPSJORJSA-N 349.412 1.396 10 40 EDCB CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 8710641 YFVWVRGNTAVCEB-UHFFFAOYSA-N 347.440 1.591 10 40 EDCB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=S)N(C3CC3)C2=O)cc1 18091184 KTHQSEQYFSUPJY-MDWZMJQESA-N 344.396 1.347 10 40 EDCB COc1ccc(N2CCN(Cc3oc(C)cc(=O)c3O)CC2)cc1 71279625 DJWMHWHNNIQSTM-UHFFFAOYSA-N 330.384 1.985 10 40 EDCB Nc1nccnc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 78775775 NSUVGVXRYQZICP-CYBMUJFWSA-N 328.372 1.586 10 40 EDCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C/Nc1ccccc1C(=O)O 2411209 CEDFWNIZYOBMCL-JXMROGBWSA-N 331.353 1.086 10 40 EDCB Cc1nc2n(n1)C[C@H](NCc1ccc(N3CCOCC3)c(F)c1)CC2 69772766 DBMHOCZRUHBSHE-OAHLLOKOSA-N 345.422 1.667 10 40 EDCB CCn1cc(C(=O)NCc2ccc(N3CCNCC3)c(F)c2)cn1 131323665 FOIAPTIRIFYZTP-UHFFFAOYSA-N 331.395 1.382 10 40 EDCB CCNC(=O)CN1CCN(Cc2c(O)ccc3ccccc23)CC1 36396193 LRIGQHGMQJYVFP-UHFFFAOYSA-N 327.428 1.799 10 40 EDCB CCn1cc(NC(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cn1 43644530 FBLRHPLXXMVUTE-UHFFFAOYSA-N 342.403 1.161 10 40 EDCB COCCCN/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 28640997 NRHPBVOPESTUCE-XFXZXTDPSA-N 337.763 1.433 10 40 EDCB O=C(O)COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 35317008 HOASPNPUVMCPTQ-GDNBJRDFSA-N 338.319 1.611 10 40 EDCB Cc1cc(C)nc(Sc2ccc(C=C3C(=O)NC(=O)NC3=O)o2)n1 409147631 YXZHNPSVLZCZJW-UHFFFAOYSA-N 344.352 1.587 10 40 EDCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CC2)N2CCCC2)cc1 5340974 UBMYCEVEVUCXQB-QGZVFWFLSA-N 344.459 1.284 10 40 EDCB Cc1ccc(N2C(=O)N=C(O)/C(=C\NN3CCOCC3)C2=O)cc1 34236675 BYFOZLBYFHUDEJ-JLHYYAGUSA-N 330.344 1.139 10 40 EDCB Fc1cc(CNc2ncnc3[nH]ncc23)ccc1N1CCOCC1 48325408 XKJPHJRKOSUNTC-UHFFFAOYSA-N 328.351 1.941 10 40 EDCB O=C1N=C(S)N(C2CC2)C(=O)/C1=C\Nc1ccccc1C(=O)O 102516191 CEDFWNIZYOBMCL-YFHOEESVSA-N 331.353 1.498 10 40 EDCB Cc1cc(C=O)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3186088 VHMOKYXRNWLZBO-UHFFFAOYSA-N 348.424 1.928 10 40 EDCB CCO/C=C1/C(=O)N=C(Nc2nc(C)c3ccccc3n2)NC1=O 2587990 ICBIRJXMNKYFJF-UHFFFAOYSA-N 325.328 1.283 10 40 EDCB CC(=O)N1CCN(CCNC(=O)/C=C/c2ccc(N(C)C)cc2)CC1 69383791 CJCKCWOAKDMASS-RMKNXTFCSA-N 344.459 1.046 10 40 EDCB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)n2nnnc2N1 12416586 ZSNDTQAIYZYOFQ-HNNXBMFYSA-N 342.403 1.980 10 40 EDCB Cc1ccc(/C=C2\SC(N3CCN(CCO)CC3)=NC2=O)cc1 13784838 JGRUKOWDZFHORB-QINSGFPZSA-N 331.441 1.575 10 40 EDCB CC(C)N1C(=O)NC(=O)/C(=C/Nc2ccc3oc(=O)ccc3c2)C1=O 9060783 JEFBTEIVOMKEJZ-WQLSENKSSA-N 341.323 1.576 10 40 EDCB COc1cc(N2CCCCC2)ccc1C=C1C(=O)NC(=S)NC1=O 409228370 XYUXOXSWXPWXJA-UHFFFAOYSA-N 345.424 1.600 10 40 EDCB Cn1nccc1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 585139922 WQVRNKLNQHFJPB-UHFFFAOYSA-N 334.445 1.889 10 40 EDCB COc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1C 72300556 OEMSQGFYHCOFNQ-DZGCQCFKSA-N 326.462 1.763 10 40 EDCB CN(C)c1ccc(/C=C/C(=O)NCC(=O)Nc2nccs2)cc1 63657836 KXFSTORHNWJKAD-VMPITWQZSA-N 330.413 1.977 10 40 EDCB O=C(O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 32107116 MTJRISQATSQCDJ-GDNBJRDFSA-N 338.319 1.611 10 40 EDCB NC(=O)C1CCN(CC(=O)NCc2ccc(N3CCCC3)cc2)CC1 51186807 LXQUHSRKFYBZDJ-UHFFFAOYSA-N 344.459 1.100 10 40 EDCB CN(C)c1ccc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)cc1 53107321 DXZPCSFCTHVXPY-OQLLNIDSSA-N 343.408 1.893 10 40 EDCB COc1ccc(N2CCN(C(=O)CCNc3ncccn3)CC2)cc1 13692861 MTOYMRDYMUZBSV-UHFFFAOYSA-N 341.415 1.636 10 40 EDCB COc1ccc(N2CCN(C(=O)NCCCn3cncn3)CC2)cc1 65402579 DMMYVKHATWNSAS-UHFFFAOYSA-N 344.419 1.209 10 40 EDCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@H]1[N+](=O)[O-] 57176616 COKCDDFRKDCDQJ-SWLSCSKDSA-N 337.351 1.068 10 40 EDCB C[C@@H](CCc1ccc(C(N)=O)cc1)NC[C@@H](O)c1ccc(O)c(O)c1 6020666 MEPKHRALNXMWTH-KPZWWZAWSA-N 344.411 1.841 10 40 EDCB CCCCN1CCc2cc(/C=C3\C(=O)NC(=O)N(C)C3=O)ccc21 2371576 IBZSXHCGUHRCFF-SDNWHVSQSA-N 327.384 1.941 10 40 EDCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1CCS(=O)(=O)O 5551794 VIWFQMLNWMVYBB-YFHOEESVSA-N 345.423 1.481 10 40 EDCB CNC(=O)c1ccc2c(c1SCCO)C(=O)c1ccccc1C2=O 4451881 MIZWDPWOLLEUOQ-UHFFFAOYSA-N 341.388 1.906 10 40 EDCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 408908879 DTSKSBXJSOPSLP-YRNVUSSQSA-N 345.242 1.993 10 40 EDCB CCN/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O 408551149 LLPZKSLSWVETGH-VURMDHGXSA-N 327.768 1.720 10 40 EDCB CN1CCC(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 96445226 KTPAYIFQRLYUEQ-QPJJXVBHSA-N 329.444 1.747 10 40 EDCB C[C@H](CCc1ccc(C(N)=O)cc1)NC[C@@H](O)c1ccc(O)c(O)c1 5978 MEPKHRALNXMWTH-KZULUSFZSA-N 344.411 1.841 10 40 EDCB CN1CCc2cc([C@H](CNC(=O)C3CC3)N3CCOCC3)ccc21 22733329 NDFIZKMVHNWXGZ-SFHVURJKSA-N 329.444 1.578 10 40 EDCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 101084692 HNXUPMNTWHAQRI-XFFZJAGNSA-N 331.353 1.086 10 40 EDCB COC(=O)/C=C/c1ccc(N2CCN(C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 65547873 BZYJZDWMYRRWKP-DIECRNLCSA-N 349.387 1.284 10 40 EDCB CN1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 2903961 JGOQJPVXEXBAMS-XYOKQWHBSA-N 340.291 1.736 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NC[C@@H]3CCCO3)C2=O)cc1C 5969193 INCPQAIZLAVDNT-GWQWUEFDSA-N 343.383 1.539 10 40 EDCB Cc1cc(C(=O)N2CCC(C(N)=O)CC2)c(C)n1-c1ccccn1 44915079 CTGGXYUGXYNVEM-UHFFFAOYSA-N 326.400 1.827 10 40 EDCB COC(=O)CN/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 100329300 RZRSSJGQIQFQOO-YFHOEESVSA-N 327.262 1.598 10 40 EDCB CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccccc1O 72289396 PMARPZQPGXWRDW-GFCCVEGCSA-N 347.375 1.849 10 40 EDCB CCCCN1C(=O)/C(=C/NNCCN(CC)CC)C(O)=NC1=S 20437634 XHKGPQVMGBTNJZ-VAWYXSNFSA-N 341.481 1.190 10 40 EDCB COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)cc1 44288877 ZCKTULBLRQODIT-CQSZACIVSA-N 331.416 1.212 10 40 EDCB O=C1NC(=O)C(=Cc2ccc(OC(=O)c3ccco3)cc2)C(=O)N1 408762759 MCGUORQCACKVOU-UHFFFAOYSA-N 326.264 1.248 10 40 EDCB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c(C)c1 408549294 SDIWLMGZCQHLBU-XNTDXEJSSA-N 345.399 1.907 10 40 EDCB Cc1ccc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)o1 41084444 SNUDVDBPSMKXRI-KRLNTZMLSA-N 345.384 1.497 10 40 EDCB COC(=O)N[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C 96404852 RZDHGZCQBOOVSC-INIZCTEOSA-N 349.431 1.724 10 40 EDCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccn(C)c(=O)c1 30569962 KIMIRRONMWOUQQ-UHFFFAOYSA-N 341.411 1.494 10 40 EDCB CO[C@@H]1C=C[C@@](CNC(=O)CCn2c(=O)oc3ccccc32)(OC)O1 4121552 QKUDYGDWPFPRCH-DOTOQJQBSA-N 348.355 1.002 10 40 EDCB O=C1CN(c2ccc(CNC(=O)NCc3ccoc3)cc2)CCN1 46984385 UOGKBYRDARLUCP-UHFFFAOYSA-N 328.372 1.215 10 40 EDCB O=C1NC(=O)C(=Cc2nc(-c3ccccc3)n3ccccc23)C(=O)N1 1280977 XFXSRHLTLBAOAF-UHFFFAOYSA-N 332.319 1.751 10 40 EDCB O=C1NC(=S)NC(=O)C1=CNc1nc(-c2ccccc2)cs1 17192239 JWLSQZFNLSREAE-UHFFFAOYSA-N 330.394 1.637 10 40 EDCB O=C1CN(c2ccc(CNC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2)CCN1 106063944 PJZSHHCDVZZGHG-ZOBUZTSGSA-N 327.428 1.675 10 40 EDCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(C)ccc1O 9422827 IRIPQQUIJHENDB-FMNNIJNLSA-N 349.412 1.402 10 40 EDCB CCN(CC)[C@@H]1[C@@H](O)[C@H](NCc2ccc(N(C)C)cc2)[C@H]2CO[C@@H]1O2 12483644 XOVRJOQYGFQUEF-IEWDOMPSSA-N 349.475 1.037 10 40 EDCB biogenic,in-vitro O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/N1CCCCC1 408528072 FCXHTWIXRXNHOC-FYWRMAATSA-N 327.384 1.677 10 40 EDCB CCOC(=O)CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1277177 JAFJBBXEGCEHNB-QXMHVHEDSA-N 348.405 1.773 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NCCCC(=O)O)C2=O)cc1C 19593884 YRZAVHGKLHMOPC-UKTHLTGXSA-N 345.355 1.225 10 40 EDCB COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1O 5013740 IFUMDQUWDOODSR-KBWXCKASSA-N 329.312 1.860 10 40 EDCB O=C(O)COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 4699709 WETAYHSNUOABMC-UVTDQMKNSA-N 338.319 1.611 10 40 EDCB CN1C(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N(C)C1=O 4703291 QJKQGFQCPWLBHY-UHFFFAOYSA-N 331.347 1.860 10 40 EDCB COCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(O)c(O)c1 10272205 JIHXNWGWPVSGRW-CQSZACIVSA-N 346.343 1.168 10 40 EDCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccco3)cc2)C1 55916326 KUNRPEFMRCIJDX-CQSZACIVSA-N 327.384 1.911 10 40 EDCB CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 28894630 NYHVSGDRLAUUTE-LBPRGKRZSA-N 343.349 1.780 10 40 EDCB Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2C(N)=O)c(C)n1-c1ccc(F)cc1 89578161 SUXUBMOATCIRHU-HOCLYGCPSA-N 345.374 1.294 10 40 EDCB CN1CCCc2cc(CNC(=O)CCNc3ncccn3)ccc21 57549902 VABWNIAZOVYYDP-UHFFFAOYSA-N 325.416 1.977 10 40 EDCB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cc([N+](=O)[O-])ccc1O 48165187 OFQRFVMSFXOUMP-SECBINFHSA-N 333.300 1.328 10 40 EDCB C[C@@H](NC(=O)NCc1ccc(N2CCNC(=O)C2)c(F)c1)C1CCC1 95975196 RQSJLYWXENTODL-GFCCVEGCSA-N 348.422 1.750 10 40 EDCB COc1ccc(N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)cc1 71843901 GEFZUOBYAOWYDO-UHFFFAOYSA-N 342.399 1.358 10 40 EDCB C[C@@H](Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1)C(=O)O 39557438 AVTZEBXHJUSRTD-SECBINFHSA-N 348.380 1.137 10 40 EDCB CCN(CC)CCN/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O 2306933 FKYIZNNMFSNECQ-VAWYXSNFSA-N 348.378 1.224 10 40 EDCB O=S1(=O)CCN(C2CCN(Cc3cc(F)ccc3O)CC2)CC1 190989448 MJMKLEZIRUCGBM-UHFFFAOYSA-N 342.436 1.226 10 40 EDCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CC3)N(C)C)ccc21 9135418 UTVGVXAQQVCEDE-QGZVFWFLSA-N 344.459 1.067 10 40 EDCB Cc1ccc2c(c1)/C(=C1/SC(=S)N(CC(=O)O)C1=O)C(=O)N2 13648627 RXXBJFHQPOIFFJ-KHPPLWFESA-N 334.378 1.603 10 40 EDCB C[C@H](NC(=O)C1(O)CCC1)c1ccc(N2CCN(C)CC2)c(F)c1 252490285 KNYRWBZWAGZAEM-ZDUSSCGKSA-N 335.423 1.670 10 40 EDCB C[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 966984 FKALJXADTPROPL-UKMFXHQASA-N 348.405 1.708 10 40 EDCB CC(=O)O[C@H]1[C@@H](CN=[N+]=[N-])OCO[C@@H](CN=[N+]=[N-])[C@H]1OC(C)=O 104312773 RZYLMGQKXGXGJZ-CKIJPRSSSA-N 328.285 1.212 10 40 EDCB O=C(CC(F)(F)F)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 69595477 VSVRZKOPOKJGJI-UHFFFAOYSA-N 347.293 1.897 10 40 EDCB COCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)NC1=S 98086702 HZANXHYCKMHBKQ-XYOKQWHBSA-N 329.381 1.441 10 40 EDCB O=C1/C(=C/c2ccccc2O)SC(=S)N1CCS(=O)(=O)O 5551791 XEROAONKYBFVHN-YFHOEESVSA-N 345.423 1.481 10 40 EDCB O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@@H]1CCCO1 57418579 AYXMEQJLRUSYBC-SFHVURJKSA-N 347.459 1.874 10 40 EDCB CCOc1ccc(N/C=C2\C(=O)NC(=S)N(C3CC3)C2=O)cc1 2372280 YAIZUTXBYCUQPJ-UKTHLTGXSA-N 331.397 1.787 10 40 EDCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CCOCC1 65417601 UNQMBBRFTONXPY-UHFFFAOYSA-N 327.450 1.152 10 40 EDCB CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccn(C)c(=O)c1 521395796 HJEPWJHGMQLTES-UHFFFAOYSA-N 344.367 1.296 10 40 EDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccccc1F 408547106 XNUBOFOGJIEEIG-FLIBITNWSA-N 329.287 1.993 10 40 EDCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1O 408914937 RXUAWPQSIHTKJB-XVNBXDOJSA-N 326.761 1.311 10 40 EDCB CCCN(CC(=O)NC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 75146920 PKPRAXYEFUQLIL-SOFGYWHQSA-N 335.360 1.743 10 40 EDCB COc1cccc(CN2CCC(C(=O)NC(C)(C)CO)CC2)c1O 199402421 WASOUUZWKYHGOL-UHFFFAOYSA-N 336.432 1.500 10 40 EDCB CN(C)c1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1 103088495 IBZVVFYXLMUXDM-LRHSVYTJSA-N 330.453 1.727 10 40 EDCB O=C(O)CN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S 3532606 CCTWEMKRVCWJJX-WDZFZDKYSA-N 337.378 1.744 10 40 EDCB CN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 2497810 WRQALGRJWYGHCO-XYOKQWHBSA-N 340.291 1.736 10 40 EDCB O=C1NC(=S)S/C1=C\N1N=C(c2ccccc2)C[C@@H]1C(=O)O 256027883 HYQCCICNCXPUNR-PAKSIRSJSA-N 333.394 1.539 10 40 EDCB COC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1ccc(O)c(O)c1 8843421 WXDKEJZOVUZUPZ-LBPRGKRZSA-N 348.384 1.873 10 40 EDCB CN1C(=O)C(=Cc2ccccc2N2CCOCC2)C(=O)N(C)C1=S 408904629 MJPLRBNWIMNGIA-UHFFFAOYSA-N 345.424 1.122 10 40 EDCB Cc1[nH]ncc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 96436175 XJKXLBBBQONBBN-UHFFFAOYSA-N 332.379 1.748 10 40 EDCB CC1(C)[C@@H]2CC[C@]1(C(=O)NCc1ccc3c(c1)OCO3)C(=O)C2=O 100261970 ATONOOOBPWOSFD-ADLMAVQZSA-N 329.352 1.606 10 40 EDCB COc1ccc(N2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1 67127501 ZSTOZLZVDQZYAE-UHFFFAOYSA-N 349.431 1.869 10 40 EDCB NC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 555815 JXJOZZMFSOASLO-GDNBJRDFSA-N 337.335 1.012 10 40 EDCB CC[C@@H](C)N1C(=O)/C(=C\NCCN2CCCCC2)C(=O)N=C1S 103092766 MVLAHIFZBNPYJL-NPRUJURCSA-N 338.477 1.399 10 40 EDCB O=C1NN(c2ccccc2)C(=O)C1(Br)Br 3850651 KSEGDINTQMTLAW-UHFFFAOYSA-N 333.967 1.551 10 40 EDCB biogenic Cc1ccc(N2C(=O)/C(=C\NN3CCCCC3)C(=O)N=C2O)cc1 17160075 XIRVGFOLUYDPMF-KAMYIIQDSA-N 328.372 1.657 10 40 EDCB Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cc(O)c(O)c1C2=O 14760978 CXORMDKZEUMQHX-UHFFFAOYSA-N 330.248 1.291 10 40 EDCB biogenic,in-vitro CC(=O)NN1C(=O)[C@@H](/N=N\c2ccc([N+](=O)[O-])cc2)C(C)=NC1=S 68602380 XIEMDOMVTFHJLN-YOJQOHNYSA-N 348.344 1.686 10 40 EDCB CN(C)c1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)cc1 15736516 XHMJQDOJEKTEDT-UHFFFAOYSA-N 325.368 1.977 10 40 EDCB CN1C(=O)NC(=O)/C(=C\NNc2cc(Cl)ccc2Cl)C1=O 408534323 QHVVZASWYHKPRA-FNORWQNLSA-N 329.143 1.502 10 40 EDCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCn1cc([N+](=O)[O-])cn1 65551037 RLTYKWMGEAYNHL-UHFFFAOYSA-N 331.376 1.906 10 40 EDCB CN(C)/N=N/c1ccc(S(=O)(=O)N2CCS[C@H]2C(=O)O)cc1 4671886 BOKFUMHVBUFNFF-JKJHPVACSA-N 344.418 1.395 10 40 EDCB Nc1nc(N2CCCC2)nc2c1CCN(Cc1ccccc1O)C2 12338379 RWBUQSIEZLLCDQ-UHFFFAOYSA-N 325.416 1.923 10 40 EDCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccoc1 408947340 CCCWGPFJHSMPLQ-VZUCSPMQSA-N 326.264 1.675 10 40 EDCB CCN(CC)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1[N+](=O)[O-] 5250249 DURGKWCJXATQGZ-UHFFFAOYSA-N 332.316 1.190 10 40 EDCB CCS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 5098940 KFNSWWGAETUOGI-MRXNPFEDSA-N 325.478 1.829 10 40 EDCB O=C1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CCN1 106063943 PJZSHHCDVZZGHG-YQQAZPJKSA-N 327.428 1.675 10 40 EDCB COc1cccc(-n2c(C)cc(C(=O)N3CCNC(=O)C3)c2C)c1 58326874 IPMGRORPLABJKA-UHFFFAOYSA-N 327.384 1.675 10 40 EDCB NC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 3907367 UFYFGTQVFWRKMJ-UHFFFAOYSA-N 334.382 1.591 10 40 EDCB Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)o1 42077870 CUELWJCKJBWRKQ-CMDGGOBGSA-N 339.395 1.854 10 40 EDCB O=C(NCCn1ncc2ccccc2c1=O)c1cccc(O)c1O 40818833 ZWWKXGYPTIBINC-UHFFFAOYSA-N 325.324 1.238 10 40 EDCB COC(=O)C1CCN(C(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)CC1 6759925 BLDDFMJNCBGPLS-MSOLQXFVSA-N 335.400 1.363 10 40 EDCB O=C(CNCCO)N1N=C(c2cccs2)C[C@H]1c1ccccc1O 10433988 FPPRORCVAJIQMI-AWEZNQCLSA-N 345.424 1.713 10 40 EDCB COc1ccc(N2CCN(C[C@@H](O)Cn3nc(C)cc3C)CC2)cc1 195578484 WDCMLQHKANWWEB-GOSISDBHSA-N 344.459 1.692 10 40 EDCB Cc1nc(C(=O)NCc2ccc(N3CCNC(=O)C3)c(F)c2)cs1 69870325 HRFSSZYIECKHFJ-UHFFFAOYSA-N 348.403 1.457 10 40 EDCB CN1N[C@@H](c2ccccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 19169939 KJRVQVYKOJDMLE-IXDOHACOSA-N 337.379 1.437 10 40 EDCB Cc1c(CC(=O)NC[C@H]2CCCO2)c(=O)oc2c(O)c(O)ccc12 5347607 NUMQWEJOKQIVBH-SNVBAGLBSA-N 333.340 1.350 10 40 EDCB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 5351264 UBUWBGLWQWRFHG-UEEORIODSA-N 325.367 1.772 10 40 EDCB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(N2CCOCC2)cc1 19575910 MIEOHUNGRBBVQZ-ZYSHUDEJSA-N 331.460 1.163 10 40 EDCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccco2)SC1=S 19891110 JCEUAIVUPQJNHL-UDGZVJEDSA-N 327.339 1.409 10 40 EDCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1F 101473696 DJIBRMIVHNHIHC-OYGDSYQHSA-N 337.376 1.527 10 40 EDCB COc1cc(F)c(NC(=O)C(=O)NCc2ccccc2O)cc1OC 72271385 QNTJJGYGPBYOEM-UHFFFAOYSA-N 348.330 1.803 10 40 EDCB CCS[C@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@@H](CO)[C@H]1N=[N+]=[N-] 5488183 ADMYBCMIRRAIME-ZYGGXJFFSA-N 336.381 1.099 10 40 EDCB COc1cccc(N2C(=O)N=C(O)/C(=C/NCCCN(C)C)C2=O)c1 102577686 AEHVAILRDTXEMP-KAMYIIQDSA-N 346.387 1.544 10 40 EDCB Cc1ccnc2nc(C(=O)NCc3ccc(N(C)C)c(F)c3)nn12 58731550 YIVBOTBDMALUAR-UHFFFAOYSA-N 328.351 1.568 10 40 EDCB Cc1cc(O)c(CN2CCC[C@H](CNS(C)(=O)=O)C2)cc1C 54544635 MPOVEEGLPXCTGN-CQSZACIVSA-N 326.462 1.770 10 40 EDCB COc1ccc(N2CCCN(C(=O)CN3CCCC3=O)CC2)cc1 55877721 PZRISKROZKMUPP-UHFFFAOYSA-N 331.416 1.356 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NC[C@H]3CCCO3)C2=O)c(C)c1 5737804 DQRMKFVZQCRHMI-JFBXQDQPSA-N 343.383 1.539 10 40 EDCB CCOC(=O)C1=C(CN2CCc3cc(OC)ccc32)NC(=O)NC1 58943150 HAIMOLGEZMQPLT-UHFFFAOYSA-N 331.372 1.188 10 40 EDCB O=C1N=C(N2CCN(CCO)CC2)S/C1=C\c1ccc(F)cc1 535659 IEPQDTHCSQEWPY-KAMYIIQDSA-N 335.404 1.406 10 40 EDCB O=[N+]([O-])c1ccc(O)c(CN(CO)Cc2cc([N+](=O)[O-])ccc2O)c1 28294429 AWPZWNSOUAZQFU-UHFFFAOYSA-N 349.299 1.866 10 40 EDCB CC(=O)Nc1ccc(NC=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 5817095 KPFJLXVORDGJEF-UHFFFAOYSA-N 332.385 1.156 10 40 EDCB COc1ccc(OC)c(N/C=C2/C(=O)NC(=O)N(C(C)(C)C)C2=O)c1 9245111 BLWZLZMXJXPXCT-LUAWRHEFSA-N 347.371 1.877 10 40 EDCB Cn1cc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1 96410504 YMNANBQKLYMLGH-MRXNPFEDSA-N 329.400 1.876 10 40 EDCB C[C@H](NC(=O)N[C@@H]1CCO[C@H]1C)c1ccc(N2CCN(C)CC2)cc1 95448669 KJVZZCVGGFGIBN-RLFYNMQTSA-N 346.475 1.976 10 40 EDCB CCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2O)C(=O)N(CC)C1=S 16681457 XVNZSSYRFOEISK-UHFFFAOYSA-N 349.368 1.679 10 40 EDCB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2ccc(F)cc2O)C1 2055772309 UQSBKAQGBWGIJE-QGZVFWFLSA-N 332.379 1.465 10 40 EDCB O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCc1ccc(F)cc1 537306 OUKITZGXLBKOMQ-UHFFFAOYSA-N 337.310 1.674 10 40 EDCB CCN(CC)CCN/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 1843800 QPWOBJKFBRHJSP-NTCAYCPXSA-N 344.415 1.080 10 40 EDCB Cc1ccc(N2C(=O)N=C(O)/C(=C/NCCCN(C)C)C2=O)cc1 102616179 PWXJHQJMCYETLW-KAMYIIQDSA-N 330.388 1.843 10 40 EDCB COCCNC(=O)/C(=C\c1ccc(N(C)C)cc1)n1ccccc1=O 9554141 ZRJUGXXMRQUZTH-SAPNQHFASA-N 341.411 1.675 10 40 EDCB COc1ccc(/C=C2\SC(N3CCN(CCO)CC3)=NC2=O)cc1 13942624 UYHNSFCLLMEROD-QINSGFPZSA-N 347.440 1.275 10 40 EDCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\NCCCN(C)C)C1=O 19994514 KHOIZJDZBVOCCS-ACCUITESSA-N 330.388 1.003 10 40 EDCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 409391696 JMWFGRKHVUOFSM-FMIVXFBMSA-N 326.312 1.407 10 40 EDCB O=C1CN(c2ccc(CNC[C@H]3CCCn4ccnc43)cc2)CCN1 89787900 ZFKSWWJBEIANMJ-MRXNPFEDSA-N 339.443 1.487 10 40 EDCB Nc1ccc(CN(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575419883 AENYQCQQQVWABG-DLBZAZTESA-N 332.425 1.433 10 40 EDCB CN(C)Cc1cc(CC2(NCc3ccc(N(C)C)cc3)COC2)no1 67897795 XRAMKFCYEOYBLO-UHFFFAOYSA-N 344.459 1.904 10 40 EDCB biogenic,in-vitro Cc1cc(N/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)no1 9305380 BPDOBSHNRZYZTI-RAXLEYEMSA-N 340.339 1.600 10 40 EDCB O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csnn1 72290272 RGWJWFFRDDLMIB-UHFFFAOYSA-N 332.429 1.677 10 40 EDCB CCCC[C@H](CC)COCCCN/C=C1/C(=O)NC(=O)N(C)C1=O 95346044 VMUVSQZZGKOPIM-UROBUVALSA-N 339.436 1.791 10 40 EDCB COc1cc(Br)cc([C@H]2N[C@@H](C(=O)O)CS2)c1O 33486978 JYCPRAFSYOAQHG-XCBNKYQSSA-N 334.191 1.952 10 40 EDCB CCOC(=O)C1=C(CN2CCCc3cc(OC)ccc32)NC(=O)NC1 48345947 ZLPGSAAPACTZDL-UHFFFAOYSA-N 345.399 1.578 10 40 EDCB Cc1cc(C(=O)CN2C(=O)CNC2=O)c(C)n1-c1ccc(F)cc1 7989213 CMVDIARIOWFNBP-UHFFFAOYSA-N 329.331 1.968 10 40 EDCB CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C\NCCc1c[nH]cn1 9972295 AIMAJZRTBMINHV-LCYFTJDESA-N 335.371 1.725 10 40 EDCB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OC)c(OC)c1OC 573249 IWQOKYJFZBBIFQ-FLIBITNWSA-N 333.340 1.673 10 40 EDCB O=C1N=C(O)/C(=C/NCCCn2ccnc2)C(=O)N1C1CCCCC1 102622918 RNTLWPQILRERMV-KAMYIIQDSA-N 345.403 1.998 10 40 EDCB Cc1cc(C(=O)NCCS(N)(=O)=O)c(C)n1-c1ccc(F)cc1 58192783 WDNQTNCJIBDJOZ-UHFFFAOYSA-N 339.392 1.252 10 40 EDCB Cc1nc(C)c(CCC(=O)NCc2ccc(N(C)C)cc2)c(=O)[nH]1 12555702 CCOZCEVEEHRGLV-UHFFFAOYSA-N 328.416 1.702 10 40 EDCB C[C@H](O)CNC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 95474806 VBPPSSMNTQMGIN-NSHDSACASA-N 348.358 1.825 10 40 EDCB Cc1ccc(N2C(=O)N=C(O)/C(=C/NN3CCOCC3)C2=O)cc1C 6923833 VSVXRWYWRKJRTM-UVTDQMKNSA-N 344.371 1.447 10 40 EDCB CCOc1cc2c(cc1C=C1C(=O)NC(=S)NC1=O)C[C@H](C)O2 256055718 QOTMATABWTVVME-QMMMGPOBSA-N 332.381 1.323 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NCCCN(C)C)C2=O)cc1C 101068433 UKOKOZLAVDIAJO-RVDMUPIBSA-N 344.415 1.311 10 40 EDCB Cn1cccc1/C=C1/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C1=O 27229473 ATTLQCXMUVMLOD-MOIHINDBSA-N 340.382 1.154 10 40 EDCB CC(C)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1 604381666 KFCNGIXLSUYCRB-QGZVFWFLSA-N 331.460 1.371 10 40 EDCB biogenic,in-vitro Cc1cc(C(=O)N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)on1 69559241 FOEKEHSEFTZNBT-UHFFFAOYSA-N 346.343 1.555 10 40 EDCB CCN(CC)c1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(O)c1 6246408 URFQXCRWCGLMLH-SOFGYWHQSA-N 346.343 1.694 10 40 EDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/NCc1cccs1 5763790 PCEZBJKDSDBHSH-XYOKQWHBSA-N 331.353 1.593 10 40 EDCB CN(C)S(=O)(=O)c1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O 72194196 ZAHHLIYHBRMFPQ-UHFFFAOYSA-N 347.348 1.124 10 40 EDCB Cc1noc(CN2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)n1 69564921 FHRGZQUEWQXJCG-UHFFFAOYSA-N 333.348 1.310 10 40 EDCB COc1ccc(N2CCN(C(=O)CCn3cc(C)cn3)CC2)cc1 71819771 GYFIWWBRGCCGJZ-UHFFFAOYSA-N 328.416 1.939 10 40 EDCB COC(=O)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1205860 IJLCSAGADKAMKG-POHAHGRESA-N 338.366 1.969 10 40 EDCB COc1cc(NC(=O)COC(=O)c2cccc(O)c2O)cc(OC)c1 97101351 SQLZCBLCOZSANE-UHFFFAOYSA-N 347.323 1.911 10 40 EDCB O=C1CN(c2ccc(CNC(=O)c3cccc4cn[nH]c34)cc2)CCN1 42078489 FMTTZHXBPPXTOX-UHFFFAOYSA-N 349.394 1.429 10 40 EDCB C[C@@H](C(=O)O)N1C(=O)/C(=C2\C(=O)N(C)c3ccccc32)SC1=S 1800891 FKALJXADTPROPL-QYQSLSSCSA-N 348.405 1.708 10 40 EDCB CCCCN1C(=O)NC(=O)/C(=C\NCc2ccc3c(c2)OCO3)C1=O 6072979 ZGAXVDALPCOIDD-FMIVXFBMSA-N 345.355 1.267 10 40 EDCB COc1ccc(N2CCN(C(=S)NC(C)=O)CC2)c([N+](=O)[O-])c1 21596143 VAHJBRQWWFAVPY-UHFFFAOYSA-N 338.389 1.146 10 40 EDCB COc1ccc(/C=C2\SC(N3CCN(C(C)=O)CC3)=NC2=O)cc1 48273 ATBKNDRBCJFZSK-PTNGSMBKSA-N 345.424 1.830 10 40 EDCB CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 49151584 PCBMBVURCXTSKF-UHFFFAOYSA-N 342.355 1.916 10 40 EDCB O=C1/C(=C\c2cccs2)SC(=S)N1CCS(=O)(=O)O 5551838 OWACYNFILNEKKP-SOFGYWHQSA-N 335.453 1.837 10 40 EDCB O=C(O)[C@H]1Nc2c(C(=O)N3CCOCC3)cccc2[C@@H]2C=CC[C@H]12 444481 BAFWMUGYCDOMKF-RBOXIYTFSA-N 328.368 1.697 10 40 EDCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCn1ccnc1 44966630 HMISZORWZWBSRG-UHFFFAOYSA-N 343.431 1.561 10 40 EDCB Cc1ccc(C)n1-c1ccc(C(=O)NCCNS(C)(=O)=O)cc1 29683844 KSDVFSZPRIXHLF-UHFFFAOYSA-N 335.429 1.373 10 40 EDCB CCc1ccc(N2C(=O)N=C(O)/C(=C\NN3CCOCC3)C2=O)cc1 13551208 STODISTXFSETFU-SDNWHVSQSA-N 344.371 1.393 10 40 EDCB Cc1ccc(CN(/N=N/c2nonc2N)c2nonc2N)c(C)c1 100077653 COCFXAMJVUWCAE-LTGZKZEYSA-N 329.324 1.939 10 40 EDCB CC1(C)[C@@]2(C(=O)NCc3ccc4c(c3)OCO4)CC[C@@]1(C)C(=O)C2=O 100621908 MXHSZFFTAFNBDI-OALUTQOASA-N 343.379 1.996 10 40 EDCB COC(=O)CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1277240 PGSNZJAADPHQMX-KHPPLWFESA-N 334.378 1.383 10 40 EDCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccco3)CC2)cc1 4839638 ZCMOXVBJFAUGET-UHFFFAOYSA-N 344.367 1.794 10 40 EDCB Cc1cccc2c1C(=O)N[C@@H](c1ccc(N3CCNC(=O)C3)cc1)N2 78755747 JPXPKZWYFBGLGW-SFHVURJKSA-N 336.395 1.785 10 40 EDCB CN1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O 95948233 WGARJWQDRSWUJL-MRXNPFEDSA-N 345.443 1.350 10 40 EDCB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N2CCOCC2)cc1 5694547 NCXSZRBNVKTHEN-HNNXBMFYSA-N 331.372 1.324 10 40 EDCB COc1ccc(N2CCN(C(=O)COc3nccc(C)n3)CC2)cc1 56906939 JBWNKQQWDIBFIL-UHFFFAOYSA-N 342.399 1.521 10 40 EDCB Cc1ccc2c(c1)/C(=C1/SC(=S)N([C@H](C)C(=O)O)C1=O)C(=O)N2 1281994 VWBAEVPDXVDJPP-MHESWEFBSA-N 348.405 1.992 10 40 EDCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCCN1CCOCC1 100422921 PHJGTAZNPLUVCX-SDXDJHTJSA-N 342.443 1.995 10 40 EDCB CCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OCC 5336660 AUJALZDVONDFDZ-UHFFFAOYSA-N 332.356 1.918 10 40 EDCB COc1ccccc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 3850600 DNYWYSUJGVSQPH-UHFFFAOYSA-N 328.349 1.870 10 40 EDCB biogenic Fc1cc(CNC[C@@H]2CNc3ccnn3C2)ccc1N1CCOCC1 58299056 PLEHOPWEQTZRGY-OAHLLOKOSA-N 345.422 1.690 10 40 EDCB Cc1c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1C 28481309 JWLFSRVDYOFGHT-UHFFFAOYSA-N 344.415 1.610 10 40 EDCB Cc1nn(-c2ccc(F)cc2)c(O)c1/C=C1\C(=O)NC(=O)N=C1O 4628522 BNEWQIZCBAUITF-UHFFFAOYSA-N 330.275 1.615 10 40 EDCB O=C(O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 409132155 OYPIRTNFGFFKOO-UKTHLTGXSA-N 348.380 1.644 10 40 EDCB NC(=O)c1c(SCC(=O)O)ccc2c1C(=O)c1ccccc1C2=O 3845280 BMRHOQFAXNOYBW-UHFFFAOYSA-N 341.344 1.738 10 40 EDCB biogenic O=C1NCCN1[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 92188667 WMHQEMNUJFRDFK-GOSISDBHSA-N 344.459 1.513 10 40 EDCB COc1ccc(NC(=O)C[C@@H]2SC(=S)NC2=O)c(OC)c1 34926833 DJQDUUCTVWNOCJ-JTQLQIEISA-N 326.399 1.549 10 40 EDCB CN1C(=O)[C@H](C(C)(C)[C@@H]2SC(=S)N(C)C2=O)SC1=S 1690544 OSKORECZYVIDAB-PHDIDXHHSA-N 334.513 1.730 10 40 EDCB CN1C(=O)/C(=C/c2c(N(C)C)nc3ccccn3c2=O)SC1=S 4193214 PXJRTUWDHDFIHW-NTMALXAHSA-N 346.437 1.592 10 40 EDCB CCC(=O)Nc1ccccc1NC=C1C(=O)N(C)C(=S)N(C)C1=O 16609956 ONVSELFRRGWNRW-UHFFFAOYSA-N 346.412 1.546 10 40 EDCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374613 FPTNLNSNSQCOCA-UDGZVJEDSA-N 326.355 1.144 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C[C@H]3CCCO3)cc2)C1 55917279 CFCNRPCSSLMTBI-DOTOQJQBSA-N 345.443 1.574 10 40 EDCB CC(=O)NCCCCCC(=O)NCc1ccc(N2CCOCC2)cc1 56198807 CMZLCIOIRZZXCW-UHFFFAOYSA-N 347.459 1.836 10 40 EDCB COc1cc2c(cc1/C=C1/C(=O)NN(c3ccccc3)C1=O)OCO2 107691441 VJRLAOBTJMXIFV-QPEQYQDCSA-N 338.319 1.885 10 40 EDCB CC1=CC(N2CCOCC2)=NC2=S=C(c3ccccc3)C(=O)N12 409415742 XTSGWQRSBJMDSI-UHFFFAOYSA-N 327.409 1.518 10 40 EDCB Cc1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1 50858974 TZQWWNAEEDQUBK-MRXNPFEDSA-N 327.384 1.420 10 40 EDCB COc1cc(N2CCCCC2)ccc1C=C1C(=O)NC(=O)NC1=O 409235676 CUDYYKFHFFDJBD-UHFFFAOYSA-N 329.356 1.435 10 40 EDCB O=C1CN(c2ccc(CNC(=O)c3ccc(F)cc3)cc2)CCN1 32915686 XUFKUNURDPOAHE-UHFFFAOYSA-N 327.359 1.692 10 40 EDCB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccco3)C2=O)cc1 5673028 JAJDPWCBFFQFOP-UVTDQMKNSA-N 326.308 1.918 10 40 EDCB CCCCCCN1C(=O)NC(=O)/C(=C/NCCN(CC)CC)C1=O 20024292 KRLSDOAOUXCZFR-YPKPFQOOSA-N 338.452 1.460 10 40 EDCB Cc1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[nH]n1 71820075 XCBIMWZUCYRSQF-AWEZNQCLSA-N 341.415 1.350 10 40 EDCB COc1cc(/C=C2/SC(=S)N(CO)C2=O)cc(OC)c1OC 5512409 JLCLTSNPLDWWRP-IZZDOVSWSA-N 341.410 1.863 10 40 EDCB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1SC(=S)NC1=O 34926859 GNRMZWOMIIDRAD-VIFPVBQESA-N 325.371 1.748 10 40 EDCB CNC(=O)[C@@H]1CN(c2ccc(OC)cc2)CCN1c1cc(C)ncn1 253479843 SQKQJSBTTQIPCH-INIZCTEOSA-N 341.415 1.235 10 40 EDCB O=C1CN(c2ccc(CNc3cncc(-n4cccn4)n3)cc2)CCN1 40555470 BYCBVSVKDGBLGD-UHFFFAOYSA-N 349.398 1.211 10 40 EDCB Cc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(CC(=O)O)C1=O 9259790 AELCRCIFRTYDCD-NTEUORMPSA-N 329.356 1.573 10 40 EDCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc2c1OCO2 408964851 STGAHGAADATCLJ-UHFFFAOYSA-N 334.353 1.023 10 40 EDCB O=C1N=C(O)N(c2ccc(F)cc2)C(=O)/C1=C/NN1CCCCCC1 6926379 VTOUDLJQQOGHQC-SDNWHVSQSA-N 346.362 1.877 10 40 EDCB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1ccc(N2CCOCC2)cc1 5331332 PFDIVRLXNHSQJZ-ZZXKWVIFSA-N 344.327 1.803 10 40 EDCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC(C)(C)C)N(C)C)cc1 5340552 MAYWERCZYISRIQ-HNNXBMFYSA-N 334.464 1.386 10 40 EDCB CCOC(=O)C1=C(C)NC(N[N+](=O)[O-])=N[C@@H]1c1ccc(N(C)C)cc1 33703624 RRHDBRYTCIOCCA-CQSZACIVSA-N 347.375 1.371 10 40 EDCB COC(=O)CN1C(=O)/C(=C2/C(=O)Nc3ccc(C)cc32)SC1=S 1281905 UJZVACMEDQNODP-QXMHVHEDSA-N 348.405 1.692 10 40 EDCB CC(=O)N1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1 89937504 RSFHVAOIEDKVNQ-DNVCBOLYSA-N 331.460 1.870 10 40 EDCB CC(C)COC(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1 17113299 LSYPNENYWVKBPR-UHFFFAOYSA-N 347.396 1.326 10 40 EDCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(O)[nH]c(=O)[nH]c1=O 5546921 IBRPJXOMSRNZKB-GHXNOFRVSA-N 340.339 1.192 10 40 EDCB COc1cc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)ccc1O 19842078 AEKZDOWPVQUPHV-UVTDQMKNSA-N 333.413 1.619 10 40 EDCB COc1ccc(N2CCN(CCNC(=O)c3ccno3)CC2)cc1 38588107 PGYMPDGLOPXYHA-UHFFFAOYSA-N 330.388 1.235 10 40 EDCB CN(C)c1ccc(CNC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 12533654 UTLJYIKYVFGBER-UHFFFAOYSA-N 346.431 1.479 10 40 EDCB C[C@@H](NC=C1C(=O)NC(=O)NC1=O)c1ccc(Br)cc1 101215401 UORLGKPOZLJWSK-SSDOTTSWSA-N 338.161 1.350 10 40 EDCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1NC(=O)NC1=O 42816333 PMJSXODFEKQVHH-OAHLLOKOSA-N 344.415 1.233 10 40 EDCB O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCCN(c3ncccn3)C2)c1 71792538 KXFUEHKQPAAWFY-CYBMUJFWSA-N 329.360 1.849 10 40 EDCB COC(=O)CN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 1237733 SQRXHNXWBTUUJP-IZZDOVSWSA-N 339.394 1.775 10 40 EDCB COc1ccc(N2CCN(C(=O)C(=O)NC3CCCC3)CC2)cc1 10325627 HGAARAXGJNEWHG-UHFFFAOYSA-N 331.416 1.403 10 40 EDCB C[C@H](NC(=O)C1CCC1)C(=O)NCc1ccc(N2CC=CC2)cc1 101236070 JPFDCHGGEGTDRM-AWEZNQCLSA-N 327.428 1.984 10 40 EDCB CCn1cc(S(=O)(=O)NCc2c(O)ccc3c2CCCC3)cn1 95433253 CSJVNGVSXZMOJW-UHFFFAOYSA-N 335.429 1.966 10 40 EDCB COC(=O)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1190817 OVCLVHUOSMUFSO-POHAHGRESA-N 338.366 1.969 10 40 EDCB COC(=O)C[C@@H]1C[C@]23O[C@]2(C(=O)c2c(O)cccc2C3=O)[C@@H](C)O1 14612168 IHXLRPOTFALLKF-PGNPJVIPSA-N 332.308 1.020 10 40 EDCB biogenic,in-vitro COc1cccc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)c1 13569619 QUEHSCSKTAWFJV-GRRFOWRYSA-N 349.412 1.396 10 40 EDCB Cc1cc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)c(C)n1-c1ccc(F)cc1 89578159 SUXUBMOATCIRHU-ZBFHGGJFSA-N 345.374 1.294 10 40 EDCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCO 1766005 KASLOOWPEAMXLK-BENRWUELSA-N 336.438 1.386 10 40 EDCB CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](CN=[N+]=[N-])OCO[C@@H]1CN=[N+]=[N-] 8665604 RZYLMGQKXGXGJZ-ZNSHCXBVSA-N 328.285 1.212 10 40 EDCB CC(=O)N1CCN(Cc2c(O)c(C(=O)O)cc3ccccc23)CC1 3375372 ZNNCUDIWURPIIE-UHFFFAOYSA-N 328.368 1.908 10 40 EDCB Cn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408951899 KLBMNPIMUKSRKI-KPKJPENVSA-N 339.307 1.420 10 40 EDCB COc1ccc2nc3ccccc3c(NCCNC[C@@H](O)CO)c2c1 4428780 GKTPLLTYQYJTJK-CYBMUJFWSA-N 341.411 1.751 10 40 EDCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccco1 3671422 RRAKJXCAUGGNPL-XYOKQWHBSA-N 326.264 1.644 10 40 EDCB CNC(=O)NC(=O)CCN(Cc1ccc(N(C)C)cc1)CC1CC1 69382383 HWIUIFYRNNKIPZ-UHFFFAOYSA-N 332.448 1.810 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc[nH]n3)cc2)C1 55917208 NNLAOGWQIFKGJQ-ZDUSSCGKSA-N 327.388 1.041 10 40 EDCB COc1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1CO 12366571 BSOPIWLXQPSBBL-NVXWUHKLSA-N 332.400 1.831 10 40 EDCB O=C1N=C(N2CCOCC2)S/C1=C1\C(=O)Nc2ccc(F)cc21 5371075 UVIZCAZBLBPPCB-QXMHVHEDSA-N 333.344 1.451 10 40 EDCB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/NCc1ccco1 100437816 RRVOPAHSJBXQOG-GXDHUFHOSA-N 325.324 1.532 10 40 EDCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(F)c1 101467940 GLGPLMMGQCXRKY-SJWLEHQBSA-N 337.376 1.527 10 40 EDCB Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)nc1N1CCCCC1 101623305 UAAFTMYSSBUFMW-AGIUHOORSA-N 334.380 1.501 10 40 EDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(F)F 368267 KECKNLGAEAWVDM-UHFFFAOYSA-N 328.296 1.211 10 40 EDCB COc1ccc(OC)c(N/C=C2/C(=O)NC(=S)N(C3CC3)C2=O)c1 17950658 IDSZUWWOVYYUSV-FLIBITNWSA-N 347.396 1.405 10 40 EDCB O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(N2CCCC2)cc1 28334500 WSQVQWYLXRXZHZ-UHFFFAOYSA-N 329.360 1.708 10 40 EDCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NC[C@@H]3CCCO3)C2=O)c(C)c1 5968045 DQRMKFVZQCRHMI-ODUNQGDFSA-N 343.383 1.539 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccncc3)cc2)C1 55916357 YOXZPJHDNPOQOL-INIZCTEOSA-N 338.411 1.713 10 40 EDCB Fc1cc(CNc2ccc3nncn3n2)ccc1N1CCOCC1 48345597 BZQSOURVXNKBLH-UHFFFAOYSA-N 328.351 1.712 10 40 EDCB COc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cccc1[N+](=O)[O-] 408904397 IWTBGFMWDHPAGQ-UHFFFAOYSA-N 335.341 1.202 10 40 EDCB Cc1cc(N2CCCC2)c(F)cc1/C=C1/NC(=O)N(CC(=O)O)C1=O 408594965 VDAJERJUYLZNLG-MDWZMJQESA-N 347.346 1.712 10 40 EDCB Cc1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)o1 4291535 MUEUAKXHLILQLO-RMKNXTFCSA-N 333.412 1.677 10 40 EDCB Cc1nn(-c2ccccc2)c(C)c1C=C1C(=O)N(C)C(=O)N(C)C1=O 1413595 ITIKYKBOLFWNIL-UHFFFAOYSA-N 338.367 1.923 10 40 EDCB COc1ccc(N2CCN(C(=O)N[C@H](C)Cn3ccnc3)CC2)cc1 65574951 DRZVZVSXAJKMJF-OAHLLOKOSA-N 343.431 1.812 10 40 EDCB CNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cccnc1)CC2 72295898 YHEMTGSVSQRQJJ-QPJJXVBHSA-N 343.408 1.592 10 40 EDCB Cc1ccc2c(c1)c(C)c(C(=O)N(C)C[C@@H]1COC[C@@H](O)[C@H]1O)n2C 643551236 QPGUFCPQZNQIJQ-QBIMZIAESA-N 346.427 1.235 10 40 EDCB O=C1NC(=S)NC(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1 60862332 XXLFNGRJSZHWRP-UHFFFAOYSA-N 326.721 1.075 10 40 EDCB CN1CCCc2cc(/C=C/C(=O)N[C@H]3CCS(=O)(=O)C3)ccc21 65607581 SHFZVRLJROMRKM-ZKKXHLJNSA-N 334.441 1.386 10 40 EDCB COc1cc(O)c2c(c1)O[C@H](O)[C@]1(Cc3cc4c(cc31)OCO4)C2=O 14692687 HQNATRVFSYNBMS-ROUUACIJSA-N 342.303 1.517 10 40 EDCB biogenic Fc1cc(CNC[C@H]2CNc3ccnn3C2)ccc1N1CCOCC1 58299058 PLEHOPWEQTZRGY-HNNXBMFYSA-N 345.422 1.690 10 40 EDCB COc1ccc(N2CCN(C(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)CC2)cc1 71281354 GHHIMOANADRQHU-CABCVRRESA-N 332.400 1.701 10 40 EDCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccco2)SC1=S 19891112 PYTVVQHHLPUAGB-HWPCKVLBSA-N 341.366 1.799 10 40 EDCB COc1cccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c1OC 13343652 INTKVUIEDMELRL-POHAHGRESA-N 339.394 1.990 10 40 EDCB CCOC(=O)[C@@H]1[C@@H](c2ccccc2O)NC(=O)N[C@]1(O)C(F)(F)F 5592490 DMBBIGPNGBWBPX-OPQQBVKSSA-N 348.277 1.176 10 40 EDCB COc1cc(Cl)c(C=C2C(=O)NC(=S)NC2=O)cc1OC 408894711 KVEFFPMCNJSQNR-UHFFFAOYSA-N 326.761 1.272 10 40 EDCB COc1ccc(CNCc2cnc(N3CCN(C)CC3)nc2)cc1C 96474690 LKZQNQIHZTUOQI-UHFFFAOYSA-N 341.459 1.835 10 40 EDCB COc1ccc2c(c1)CCCN2Cc1nc2c(cnn2C)c(=O)[nH]1 52826905 CAIUWBDRPHIJTL-UHFFFAOYSA-N 325.372 1.618 10 40 EDCB CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 5340961 WXTXLVBZOLXPHN-INIZCTEOSA-N 332.448 1.142 10 40 EDCB CCOC(=O)C(=O)Nc1nc2c(s1)C(=O)c1ccccc1C2=O 1617387 IQIQVVNYLKPKCV-UHFFFAOYSA-N 330.321 1.420 10 40 EDCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccnc3)C2=O)cc1 408533605 OMYQGJMFNUPMPZ-UVTDQMKNSA-N 338.323 1.669 10 40 EDCB CN1C(=O)c2cccnc2O[C@H]2CN(Cc3ccccc3O)C[C@H]21 514289392 JUFGSRLKNSLIHK-ZBFHGGJFSA-N 325.368 1.505 10 40 EDCB biogenic,in-vitro CC(C)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 5340968 XIXJJIZHBBETFT-KRWDZBQOSA-N 346.475 1.530 10 40 EDCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC(C)(C)C)N(C)C)cc1 5340554 MAYWERCZYISRIQ-OAHLLOKOSA-N 334.464 1.386 10 40 EDCB COC(=O)CN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 1237734 SQRXHNXWBTUUJP-WDZFZDKYSA-N 339.394 1.775 10 40 EDCB CN(C)c1ccc(/C=C2/NC(=S)NC2=O)cc1Br 435057 ZMARITAPQDZVFM-RMKNXTFCSA-N 326.219 1.860 10 40 EDCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NC[C@@H]1CCCO1 100149154 GRZJLYNWHJBCAU-GWQWUEFDSA-N 330.344 1.970 10 40 EDCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCCO 4736908 NXLPHJFYRFLNLK-WJDWOHSUSA-N 349.362 1.337 10 40 EDCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 4356916 PYTVVQHHLPUAGB-GTUWVTDSSA-N 341.366 1.799 10 40 EDCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cnccn3)cc2)C1 55916421 DVWWVLXVPIWCKG-AWEZNQCLSA-N 339.399 1.108 10 40 EDCB COc1ccc(N2N=C(C)/C(=C(\C)NCC(OC)OC)C2=O)cc1 103916051 YHPMCWHJZNYXPW-WJDWOHSUSA-N 333.388 1.900 10 40 EDCB CN(C)C(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 3289176 PSYZIMORJUSLCB-UHFFFAOYSA-N 339.347 1.997 10 40 EDCB