smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H]1C[C@@H](C)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 21804467 NRWSPBARUKVJQD-TXEJJXNPSA-N 282.409 2.077 10 40 CECB CCOC(=O)C1=C[C@H](C(C)=O)N(C)c2ccc(OC)cc21 1686439 GKQALZJBOVBUMI-OAHLLOKOSA-N 289.331 2.049 10 40 CECB Cc1cc([N+](=O)[O-])cc2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@H]21 4132369 FQMGHDYQCQVRST-OUJBWJOFSA-N 274.276 2.442 10 40 CECB CNC(=O)c1cc(C)n(-c2cccc(OC)c2)c1C 48689049 LPSVNKWJNLPEDK-UHFFFAOYSA-N 258.321 2.462 10 40 CECB CC1=CN2C(=N)/C(=C/c3ccco3)C(=O)N=C2S1 13483172 QNEHKBLPIIBDAT-NYADUSNBSA-N 259.290 2.447 10 40 CECB C[C@H](O)CN(Cc1c(O)ccc2ccccc12)C[C@@H](C)O 1679457 GJVXIIDAOYGDNX-BETUJISGSA-N 289.375 2.109 10 40 CECB CN(C)c1ccc(/C=C2\C(=O)N=C3C=CC=CN32)cc1 3013250 SWIKOMDNFWWJMY-SDNWHVSQSA-N 265.316 2.418 10 40 CECB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC1CC1 100422742 MYYZMZIRMGRYHR-UVTDQMKNSA-N 255.321 2.435 10 40 CECB COc1ccc(/C=C2/C(=O)N(C)C(=S)N=C2O)cc1C 478877 CJSJRXHMLSWSKZ-JXMROGBWSA-N 290.344 2.100 10 40 CECB CN(C)c1ccc(CNCCCN2CCCC2)cc1 20128906 HIFQSTCGCVLODT-UHFFFAOYSA-N 261.413 2.328 10 40 CECB C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N(C)C)cc1 95450957 KDDUJILODJNLKR-VNHYZAJKSA-N 260.381 2.340 10 40 CECB OC[C@H]1CCN(Cc2ccc(N3CCCC3)c(F)c2)C1 72398341 LZBXJDKIKKGMHH-AWEZNQCLSA-N 278.371 2.240 10 40 CECB COc1ccccc1OC(=O)Cc1ccc(N)cc1 225395929 NXUCTICUNJJHAW-UHFFFAOYSA-N 257.289 2.426 10 40 CECB Oc1c(CNC2CC2)cc2c3c1CCCN3CCC2 96517094 UYKNGTYPNOSTPC-UHFFFAOYSA-N 258.365 2.343 10 40 CECB CS[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C 69348288 BVZBUCZTRYKDLJ-NSHDSACASA-N 278.421 2.437 10 40 CECB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2)SC1=S 5178546 GFGSSPUNEUQZRU-VKHJRQFRSA-N 293.369 2.361 10 40 CECB CN1CCc2ncnc(N3CCc4ccccc43)c2C1 65475055 JEGFQDAKVIXWEL-UHFFFAOYSA-N 266.348 2.159 10 40 CECB CCOC(=O)C1CCN(Cc2ccccc2O)CC1 6439088 JXFTZZJMKKNXQB-UHFFFAOYSA-N 263.337 2.167 10 40 CECB CN1C(=O)C(=C2N(C)c3ccccc3N2C)SC1=S 1021723 NYOCQKSNNZTVKI-UHFFFAOYSA-N 291.401 2.232 10 40 CECB O=C(O)c1ccccc1[C@@H]1NCCc2cc(O)c(O)cc21 16449481 DILLBHNRBZYDQE-HNNXBMFYSA-N 285.299 2.031 10 40 CECB Oc1ccc(CCNCc2ccc(O)c(O)c2)cc1 1713517 YJYUDTAJVLORNV-UHFFFAOYSA-N 259.305 2.136 10 40 CECB biogenic,in-vitro CCN1C(=O)/C(=C/c2cccn2C)SC1=S 409377376 HTIGOUCPJNBZNX-CLFYSBASSA-N 252.364 2.246 10 40 CECB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(F)cc1 51634 YKDGWILAGCSIRT-FMIVXFBMSA-N 292.335 2.128 10 40 CECB CN1CCCc2cc(CNC(=O)COCC3CC3)ccc21 58354775 DNHLDTJCHARPRR-UHFFFAOYSA-N 288.391 2.112 10 40 CECB CC(C)=CC(=O)NCc1ccc(N2CCOCC2)cc1 48944309 SRQOOOFHPFBQLD-UHFFFAOYSA-N 274.364 2.106 10 40 CECB O=C1N=C(N2CCOCC2)S/C1=C/c1ccsc1 72702198 YXFRECRZCYNIKX-JXMROGBWSA-N 280.374 2.051 10 40 CECB OCCN[C@H](Cc1ccccc1)c1ccccc1O 6580813 AOQKOCBUVYMLPL-OAHLLOKOSA-N 257.333 2.258 10 40 CECB Nc1c(S)ccc2c1C(=O)c1ccccc1C2=O 3845276 INMWCLDUDNFUNQ-UHFFFAOYSA-N 255.298 2.333 10 40 CECB biogenic O=C1C(=O)[C@H](c2ccccc2)Oc2cc(O)ccc21 575623591 UUDVVRALFYSADU-HNNXBMFYSA-N 254.241 2.278 10 40 CECB COc1ccc(/N=N/c2nc(C(=O)O)c(C(=O)O)[nH]2)cc1 5400454 IXBWDGLDLQDWBE-FOCLMDBBSA-N 290.235 2.230 10 40 CECB COc1ccc2c(c1O)CNC[C@@H]2c1ccc(O)c(O)c1 24717553 HCSVOIBUMVAWST-LLVKDONJSA-N 287.315 2.047 10 40 CECB O=C(O)c1ccc([C@H]2NCCc3cc(O)c(O)cc32)cc1 16401290 XOLHBSQWZCKWCG-OAHLLOKOSA-N 285.299 2.031 10 40 CECB O=C1OC2(Cc3ccccc31)C(=O)c1ccccc1C2=O 3847778 VNZYPKPZHLXZIB-UHFFFAOYSA-N 278.263 2.218 10 40 CECB biogenic CN1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 13690686 ABCMGTZQNSGRPR-YFHOEESVSA-N 287.369 2.461 10 40 CECB Cc1ccc(NC(=O)C[C@@H]2SC(=S)NC2=O)c(C)c1 34926799 COEDYXQCQLAKEJ-JTQLQIEISA-N 294.401 2.149 10 40 CECB C[C@H](Cc1ccco1)NC(=O)Cc1ccc(N)cc1 37021185 LPWKANNJDZUZSL-LLVKDONJSA-N 258.321 2.152 10 40 CECB CC(=O)N1c2cc(/N=N\N(C)C)ccc2NC(=O)C[C@H]1C 104316224 XCTVTCKRJJTLHD-JMMWODOGSA-N 289.339 2.331 10 40 CECB Cc1ccc(N2NC(=O)/C(=C/c3ccncc3)C2=O)cc1C 1505840519 KGRGUTKLZFGVCX-GDNBJRDFSA-N 293.326 2.160 10 40 CECB Cc1cc(CNC(=O)Cc2cccnc2)ccc1N(C)C 96410136 AOUZBQHAQGBRLT-UHFFFAOYSA-N 283.375 2.315 10 40 CECB Cc1ccc(NC(=O)C[C@H]2SC(=S)NC2=O)c(C)c1 34926798 COEDYXQCQLAKEJ-SNVBAGLBSA-N 294.401 2.149 10 40 CECB Cc1cc(CN2CCC[C@H](O)C2)c(C)n1-c1ccccn1 72397834 NXWCODSXGGBWTE-INIZCTEOSA-N 285.391 2.446 10 40 CECB COc1ccc2c(c1O)CNC[C@H]2c1ccc(O)cc1O 31689669 RKXZBTDNVYPQHD-GFCCVEGCSA-N 287.315 2.047 10 40 CECB CC1=CC2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)C(=N)N2O1 13817314 JJGJPBRKOSXMEM-YEIVOSTPSA-N 296.330 2.203 10 40 CECB Cc1cc(C(=O)N[C@H](C)CO)c(C)n1-c1ccccc1 97204826 IYCHHPRIRNSWMU-LLVKDONJSA-N 272.348 2.205 10 40 CECB CN(C)c1ccc(C2(CO)C(=O)c3ccccc3C2=O)cc1 3151836 XFTMTTTWBNIFFR-UHFFFAOYSA-N 295.338 2.062 10 40 CECB O=C(O)c1ccc(C(=O)C(=O)c2ccc(C(=O)O)cc2)cc1 114185151 BQDSQOCMNSRCGT-UHFFFAOYSA-N 298.250 2.149 10 40 CECB COCCn1ccc(NCc2cc(C)c(C)cc2O)n1 84077088 XMUXRYMOOKGPKM-UHFFFAOYSA-N 275.352 2.464 10 40 CECB CCN(CC)c1ccc(/C=C2/SC(=N)NC2=O)c(O)c1 5261332 USWQSMANIYMYAB-KPKJPENVSA-N 291.376 2.377 10 40 CECB O=C1C(=O)[C@H](c2ccccc2)C(=O)[C@H]1c1ccccc1 100021015 OHQNFRSPZUPPSG-ZIAGYGMSSA-N 264.280 2.275 10 40 CECB [N-]=[N+]=NS(=O)(=O)c1ccc(Br)cc1 4921640 GXMBSYQFGJYUBQ-UHFFFAOYSA-N 262.088 2.448 10 40 CECB Cc1cc(O)c(C2(O)C(=O)c3ccccc3C2=O)cc1C 33865945 MAJPEEYULJEPMF-UHFFFAOYSA-N 282.295 2.276 10 40 CECB CC(=O)Nc1ccc(N/C=C2\SC(=S)NC2=O)cc1 584906310 ZBMFBJMPTRFKNS-POHAHGRESA-N 293.373 2.046 10 40 CECB O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12 17887543 CCCIGFPBADVTFE-UHFFFAOYSA-N 286.239 2.282 10 40 CECB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccccc1F 509743 KDLXUWDMZQKAOC-MDWZMJQESA-N 299.305 2.414 10 40 CECB Cn1cccc1/C=C1/SC(N2CCCCC2)=NC1=O 33527562 OBDFYVWNWGXDMH-ZRDIBKRKSA-N 275.377 2.481 10 40 CECB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 1461840 MAHHEUJIITYGOD-GYSYKLTISA-N 257.289 2.428 10 40 CECB CC[C@@H]1SC(=S)N(CCCCCC(=O)O)C1=O 5374411 FZJNJGUBFOSNMH-QMMMGPOBSA-N 275.395 2.270 10 40 CECB CN1C(=O)/C(=C\c2ccco2)C(=O)N(c2ccccc2)C1=O 59138879 FULPSRAVXAHIIJ-JLHYYAGUSA-N 296.282 2.288 10 40 CECB CCN1CCN(Cc2ccc3cccnc3c2O)CC1 19791720 MDEYGZCQXRSDGW-UHFFFAOYSA-N 271.364 2.078 10 40 CECB O=C(O)[C@H]1CS[C@H](c2c(O)ccc3ccccc23)N1 6476650 YSQHEHCNKUBBIK-ZWNOBZJWSA-N 275.329 2.334 10 40 CECB CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(N)cc2)C1 26896398 RGAOLFMYUHHOIN-LBPRGKRZSA-N 277.368 2.372 10 40 CECB O=C1c2ccccc2N[C@@H]2CC(c3ccccc3O)=NN12 1439615 DBWQCXIVQRYVPD-HNNXBMFYSA-N 279.299 2.394 10 40 CECB Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 3445999 UPMPABCBSLHARG-UHFFFAOYSA-N 266.297 2.209 10 40 CECB CC(=O)NC1=NC(=O)/C(=C/Nc2ccc(C)cc2)S1 618254930 KDUSDSMBKYKERI-XFFZJAGNSA-N 275.333 2.014 10 40 CECB O=C1NN=C/C1=C\Nc1ccc(Cl)cc1Cl 95921839 NBQKQEBCJKDAML-GQCTYLIASA-N 256.092 2.405 10 40 CECB CCCn1cc(CNCc2ccc(O)cc2O)c(C)n1 256050869 GUTHIGXGGGTVMI-UHFFFAOYSA-N 275.352 2.303 10 40 CECB O=C(O)CCN1C(=O)/C(=C\c2ccsc2)SC1=S 7166458 OYJHUFNPBBSQTP-VMPITWQZSA-N 299.398 2.424 10 40 CECB COc1ccc([C@H]2NCCc3cc(O)c(O)cc32)cc1 3723070 ZZWDDMRVGNYDGT-MRXNPFEDSA-N 271.316 2.342 10 40 CECB CNc1cccc2c1C(=O)c1cccc([N+](=O)[O-])c1C2=O 4522776 AIECXCOELYPOFN-UHFFFAOYSA-N 282.255 2.412 10 40 CECB COC(=O)/C=C1/SC(Nc2ccc(C)cc2)=NC1=O 20367872 LDNDWYXPTHYYEN-JXMROGBWSA-N 276.317 2.093 10 40 CECB Cc1ccc2nc3c([n+]([O-])c2c1)C(=O)C(=O)c1ccccc1-3 85409395 VCJZZSDDFPAVHF-UHFFFAOYSA-N 290.278 2.223 10 40 CECB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)C=[N+]=[N-] 390783732 TVEZBIORYYZQAS-SMDDNHRTSA-N 289.335 2.197 10 40 CECB COc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 37577 DPVHNVNTHYDXOI-UHFFFAOYSA-N 286.331 2.251 10 40 CECB C[C@@H]1CN2CCC[C@H]2CN1Cc1ccc(N(C)C)cc1 72324626 XWYITMWUDZKIDE-PBHICJAKSA-N 273.424 2.421 10 40 CECB CC(=O)NCCCNCc1cc(Cl)cc(Cl)c1O 71792502 NEYMWZPAVSRXBK-UHFFFAOYSA-N 291.178 2.315 10 40 CECB CN1C(=O)/C(=C\c2cccc(O)c2)SC1=S 4567365 CBGGTDPBXNOALJ-RMKNXTFCSA-N 251.332 2.223 10 40 CECB NCCCNc1cccc2c1C(=O)c1ccccc1C2=O 27420751 MLVKRZHLEQPZTP-UHFFFAOYSA-N 280.327 2.223 10 40 CECB Oc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1O 199413313 RDVYRSYWLOOVNK-UHFFFAOYSA-N 298.386 2.416 10 40 CECB CN1CCN(c2ccc(CNCc3ccco3)cc2)CC1 95459022 CBNRPOTUDNROEG-UHFFFAOYSA-N 285.391 2.321 10 40 CECB O=C1c2ccc([N+](=O)[O-])cc2C(=O)c2cc([N+](=O)[O-])ccc21 5845160 XFLONXIGNOXKCG-UHFFFAOYSA-N 298.210 2.278 10 40 CECB in-vivo CC(C)(C)OC(=O)N1CCC[C@H]1[C@](C)(O)CN=[N+]=[N-] 72207960 CSAQZOOOIYHMAO-JOYOIKCWSA-N 270.333 2.447 10 40 CECB CCCN(Cc1ccccc1O)C(=O)Cn1cc(C)cn1 96419973 ZYBFFMMGHOZZBB-UHFFFAOYSA-N 287.363 2.336 10 40 CECB O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@@H]1c1ccccn1 104142787 KOMHAFJULQUUQC-GFCCVEGCSA-N 268.228 2.153 10 40 CECB O=C(Nc1ccc(O)cc1C(=O)O)c1ccccc1F 12020005 WUGRQZVTCJDKGT-UHFFFAOYSA-N 275.235 2.482 10 40 CECB COc1ccc(NC(=O)Cc2ccc(N)cc2)c(OC)c1 19275723 JXAMHCZXULERSS-UHFFFAOYSA-N 286.331 2.467 10 40 CECB CSCC(=O)N(C)Cc1ccc(N(C)C)cc1 60678840 MTOZJCCEJZAYCW-UHFFFAOYSA-N 252.383 2.074 10 40 CECB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CCC1 97098117 RMPFNNVBQBJVPJ-JTQLQIEISA-N 263.337 2.335 10 40 CECB COCc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C=C(C)N2 100857886 LQVDWZKOCRXFBD-CQSZACIVSA-N 299.378 2.409 10 40 CECB CC[C@H](NC(=O)CCn1cccn1)c1ccccc1O 95445917 LNCMDQIWRAHHHR-ZDUSSCGKSA-N 273.336 2.246 10 40 CECB Cc1nc(O)c2c(n1)CN(Cc1ccc(N(C)C)cc1)CC2 72373670 UGQVAQPDDSOGLB-UHFFFAOYSA-N 298.390 2.115 10 40 CECB CC(=O)Nc1ccc(N2C(=O)CSC2=S)cc1 5518992 CRBCCSCOIPRQTK-UHFFFAOYSA-N 266.347 2.010 10 40 CECB CCN1C(=O)S[C@@H](Nc2ccccc2OC)C1=O 12113051 DUMWGQTXNGOCRQ-SNVBAGLBSA-N 266.322 2.149 10 40 CECB Oc1cc2c(cc1O)[C@@H](c1ccccc1O)NCC2 19691288 FARIHBUZAZGBAM-OAHLLOKOSA-N 257.289 2.039 10 40 CECB Cc1ccc(C(=O)N2CCC3(CCC3)C2)c(O)c1O 96003858 VNHXZRTXIDJRKX-UHFFFAOYSA-N 261.321 2.422 10 40 CECB O=S(=O)(Nc1ccc(O)cc1)c1cccs1 170565 BBDVEIUPYUUGPG-UHFFFAOYSA-N 255.320 2.255 10 40 CECB CCOc1cccc([C@H]2NC3(CCCC3)C(=O)N2C)c1O 69894472 PGBMFLRJSXJWHD-AWEZNQCLSA-N 290.363 2.164 10 40 CECB CCc1noc(-c2cn(Cc3ccc(N)cc3)cn2)n1 72221253 FOLONYHDMZEYJA-UHFFFAOYSA-N 269.308 2.126 10 40 CECB Nc1nc(N)c(/N=N/c2ccc(Cl)cc2)c(=O)[nH]1 18037075 LLMGLYHILGXNSE-WUKNDPDISA-N 264.676 2.003 10 40 CECB CCN(c1ccc(OC)cc1OC)[C@H](C)C(=O)O 260679507 PLSRMPKHVIASCY-SECBINFHSA-N 253.298 2.003 10 40 CECB O=C1OC2(CCCCC2)OC(=O)C1=CNc1nccs1 100309305 OZYPBVQLGOTTQO-UHFFFAOYSA-N 294.332 2.199 10 40 CECB Nc1ccc(OCc2n[nH]c(-c3ccccn3)n2)cc1 62719555 SCSLJJNONZWHCF-UHFFFAOYSA-N 267.292 2.028 10 40 CECB O=C1NC(=S)S/C1=C\c1nc2ccccc2[nH]1 2196194 ZOFYTPANVOIEDF-YVMONPNESA-N 261.331 2.052 10 40 CECB CN(C)CCCNCc1ccc(N2CCCC2)cc1 8733401 OLJAKKUICLEAJV-UHFFFAOYSA-N 261.413 2.328 10 40 CECB COC(=O)c1ccccc1-n1c(C)cc(CO)c1C 8701617 ZNBHSEQLXSUYCF-UHFFFAOYSA-N 259.305 2.373 10 40 CECB COc1cccc(CNc2cccc3n[nH]nc23)c1O 19933322 MGXUVIOKUCMXNB-UHFFFAOYSA-N 270.292 2.284 10 40 CECB NN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 1469650 DZXYUCKCCCAHFL-DAAQNPAKSA-N 262.359 2.318 10 40 CECB O=C(NCCCSc1nccs1)c1ccncc1 74136228 GWJKDSYWSMNFDT-UHFFFAOYSA-N 279.390 2.450 10 40 CECB O=C(O)[C@@H]1CS[C@@H](c2c(O)ccc3ccccc23)N1 6476651 YSQHEHCNKUBBIK-GWCFXTLKSA-N 275.329 2.334 10 40 CECB CS(=O)(=O)CCCOc1ccc(N2CCCC2)cc1 75105054 FZZBFFNTNUQZLC-UHFFFAOYSA-N 283.393 2.100 10 40 CECB CCN1C(=O)/C(=C/c2cnn(CC)c2C)SC1=S 13545747 IHZVPVWUBQWMET-POHAHGRESA-N 281.406 2.433 10 40 CECB COCCCN1C(=O)/C(=C/c2ccccn2)SC1=S 13228354 BGPYFQFAECFEOW-LUAWRHEFSA-N 294.401 2.319 10 40 CECB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1sccc1C 408892172 GWYXWLQUALFZOM-YFHOEESVSA-N 277.345 2.359 10 40 CECB Cn1c(=O)n(C)c2cc(CNc3ccc(O)cc3)ccc21 32616926 PWHAXEXCQQLAQL-UHFFFAOYSA-N 283.331 2.195 10 40 CECB C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S 1774415 GFGSSPUNEUQZRU-FBHKUJJOSA-N 293.369 2.361 10 40 CECB CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)CN=[N+]=[N-] 72207810 BPTQOJJYXGYOFB-DTWKUNHWSA-N 258.322 2.207 10 40 CECB OC[C@@H]1CCN(Cc2ccc(N3CCCC3)c(F)c2)C1 72398342 LZBXJDKIKKGMHH-CQSZACIVSA-N 278.371 2.240 10 40 CECB Oc1ccccc1CNCc1ccn(C(F)F)n1 256051554 JPVVVXMUXUWQEZ-UHFFFAOYSA-N 253.252 2.274 10 40 CECB O=C1N=C(NCCCO)S/C1=C\C=C/c1ccccc1 256055682 PMQVTIVAQGQSEZ-NQDIDUCKSA-N 288.372 2.185 10 40 CECB CCN(CCCC(=O)O)c1ccc(OC)cc1OC 225000214 SATWBPVZCXVBAL-UHFFFAOYSA-N 267.325 2.395 10 40 CECB CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 55529865 XBROONZYIPJOLF-VXGBXAGGSA-N 294.370 2.466 10 40 CECB CN1C(=O)[C@H](/N=N/c2ccc([N+](=O)[O-])cc2)SC1=S 8214434 HHLAJTWCKSBJFA-MDBUJETNSA-N 296.333 2.495 10 40 CECB in-man O=C1NC(=S)S/C1=C\c1cccc2cn[nH]c12 96298501 UCOMJZWSVWBXCL-YWEYNIOJSA-N 261.331 2.052 10 40 CECB COc1ccc2ccc(O)c(CN3CCOCC3)c2c1 25605340 LKFOPKUXZUSRDV-UHFFFAOYSA-N 273.332 2.386 10 40 CECB COc1cccc(CNc2ccc3n[nH]nc3c2)c1O 4342683 MQHLVBJZQPALQM-UHFFFAOYSA-N 270.292 2.284 10 40 CECB COC[C@H](O)Cn1ccnc1/N=N/c1ccccc1 17748273 PZKUHGODJAIVES-IUDBQGPFSA-N 260.297 2.306 10 40 CECB CCc1ccc(C=C2C(=O)OC(C)(C)OC2=O)o1 109521 BXBSVDSRJZINIM-UHFFFAOYSA-N 250.250 2.062 10 40 CECB Cc1nn(C)cc1-c1ccn(-c2ccc(N)cc2)n1 12394340 VLFQPHYGYFILEH-UHFFFAOYSA-N 253.309 2.163 10 40 CECB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\NO 16160702 PBEDRRMIFPCVSC-LCYFTJDESA-N 267.288 2.425 10 40 CECB Cc1cc(O)ccc1N/C=C1/C(=O)NN=C1C(F)(F)F 100107974 HCDBNJGSDVUOND-VMPITWQZSA-N 285.225 2.045 10 40 CECB CCOC(=O)c1c(C)nn(-c2ccc(N)cc2)c1C 109947 FIEYZIRYXYDMSK-UHFFFAOYSA-N 259.309 2.248 10 40 CECB in-vivo CN(C)c1ccc(CNC(=O)[C@H]2Cc3ccccc3O2)cc1 7243807 AWBGKICTPIWIEP-QGZVFWFLSA-N 296.370 2.373 10 40 CECB Nc1ccc(CS(=O)(=O)NC2CCCCC2)cc1 21058109 RRCHHBZKAZOKCL-UHFFFAOYSA-N 268.382 2.021 10 40 CECB O=C1Nc2ccccc2[C@]12CCN[C@@H]2c1ccc(O)c(O)c1 62001421 GYQMBGLYRVEOLL-WBVHZDCISA-N 296.326 2.022 10 40 CECB biogenic COc1cc([C@@H]2NCCc3cc(O)c(O)cc32)ccc1O 19691251 VFVHBGRIYWENGB-INIZCTEOSA-N 287.315 2.047 10 40 CECB biogenic O=C(O)CN1C(=O)/C(=C\c2cccc(F)c2)SC1=S 1086352 SUCVQHNJHLDKDZ-WEVVVXLNSA-N 297.332 2.112 10 40 CECB COc1ccc2c(c1)C(=O)c1ccc(OC)cc1C2=O 5257366 VZXGMACDZPAQOP-UHFFFAOYSA-N 268.268 2.479 10 40 CECB CC(C)(C)OC(=O)N1CCC([C@H](O)CN=[N+]=[N-])CC1 72207839 BPQVIFJGKBAYNT-SNVBAGLBSA-N 270.333 2.305 10 40 CECB CCN(Cc1ccoc1)C(=O)c1ccc(O)c(O)c1 97235362 ZKGRACPDMQEEAX-UHFFFAOYSA-N 261.277 2.353 10 40 CECB Cc1nccn1-c1cc(Nc2ccc(N)cc2)ncn1 217506276 QTZUJXRMAWLCBL-UHFFFAOYSA-N 266.308 2.297 10 40 CECB CN(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 19271469 WCOWHKZCDFRDPU-UHFFFAOYSA-N 254.333 2.470 10 40 CECB CC(C)(C)OC(=O)N1CCC([C@@H](O)CN=[N+]=[N-])CC1 72207840 BPQVIFJGKBAYNT-JTQLQIEISA-N 270.333 2.305 10 40 CECB CN(C)c1ccc(/C=C/C(=O)NC2CCOCC2)cc1 79020763 HDUQMBPYAWMJCP-VMPITWQZSA-N 274.364 2.061 10 40 CECB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccoc3)C2=O)c1 4471223 UXCBMSONMKDLSL-JYRVWZFOSA-N 296.282 2.254 10 40 CECB COC(=O)/N=N/C=C1/C=[N+]([O-])c2ccccc2N1O 31261155 BPMVRAQIQQEBLN-XXKCFVJZSA-N 262.225 2.168 10 40 CECB CC[C@H](NC(=O)C[C@H](O)C(C)C)c1ccccc1O 95445911 MTDCZMJNEHOSRL-JSGCOSHPSA-N 265.353 2.367 10 40 CECB CC(=O)NN1C(=O)/C(=C\c2cccs2)SC1=S 5480945 DSSRQSWMRMDUQZ-VMPITWQZSA-N 284.387 2.000 10 40 CECB Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1-c1ccccn1 44915100 GFFDXPVDZDJTIR-CYBMUJFWSA-N 299.374 2.350 10 40 CECB Cc1cc(C)cc(/N=N/c2c(N)nc(N)nc2O)c1 104125419 CQTURGICWVXBHT-ISLYRVAYSA-N 258.285 2.379 10 40 CECB OCCN[C@@H](Cc1ccccc1)c1ccccc1O 1666261 AOQKOCBUVYMLPL-HNNXBMFYSA-N 257.333 2.258 10 40 CECB CN(C)c1ccc(CNCc2cnn(CCF)c2)cc1 256054322 VWCYMSITRQMZER-UHFFFAOYSA-N 276.359 2.208 10 40 CECB C/C(=C1\SC(=S)NC1=O)c1ccc([N+](=O)[O-])cc1 3126436 RVRDYSKSQJDHEH-RMKNXTFCSA-N 280.330 2.474 10 40 CECB Cn1cc(/C=C\C(=O)N2CCc3ccccc32)cn1 5888055 PYTMNGHBKZPKCM-SREVYHEPSA-N 253.305 2.023 10 40 CECB CN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S 11689752 BHBAQRXBNKNQAL-YRNVUSSQSA-N 293.369 2.289 10 40 CECB Cc1ccoc1/C=C1/C(=O)NN(c2ccccc2)C1=O 107579478 PAQWVKMWXVAUBY-XFXZXTDPSA-N 268.272 2.049 10 40 CECB Cc1ccc(N2NC(=O)/C(=C\c3ccccc3)C2=O)cc1 59958 GNQGYLFIRQADEG-RVDMUPIBSA-N 278.311 2.456 10 40 CECB COc1ccc2c(c1)CCCN2Cc1nc(C)no1 40489656 FBLSRJJBMQQONV-UHFFFAOYSA-N 259.309 2.339 10 40 CECB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 1206905 MAHHEUJIITYGOD-SUNKGSAMSA-N 257.289 2.428 10 40 CECB COc1cccc(N/C=C2\SC(=S)NC2=O)c1 584906239 ITOHTJQYIZVFBT-TWGQIWQCSA-N 266.347 2.096 10 40 CECB c1cc(COc2ccc(N3CCNCC3)cc2)ccn1 2527236 IOJMGRPUOPQTKX-UHFFFAOYSA-N 269.348 2.070 10 40 CECB in-vitro COc1cc2c(=O)c3ccccc3oc2c(O)c1O 14822042 QVBMBJBJZWDNSK-UHFFFAOYSA-N 258.229 2.366 10 40 CECB biogenic CCOC(=O)c1sc2nc([C@@H]3CCNC3)ccc2c1N 72398525 HBHONKOPOAEVPT-MRVPVSSYSA-N 291.376 2.132 10 40 CECB O=C1/C(=C\c2ccccn2)SC(=S)N1C1CC1 96019507 ZLNNPUGKDZOSEP-JXMROGBWSA-N 262.359 2.445 10 40 CECB C[C@H]1C[C@H](C)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 21804471 NRWSPBARUKVJQD-RYUDHWBXSA-N 282.409 2.077 10 40 CECB CN1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13733238 SPGFWQDCKCWKRM-YRNVUSSQSA-N 287.369 2.461 10 40 CECB N=C(N)NC1=NC(=O)/C(=C\c2cccc3ccccc23)S1 6942462 DSPXCIGFWJXWIL-XYOKQWHBSA-N 296.355 2.293 10 40 CECB CNC(=O)N(Cc1ccco1)Cc1ccccc1O 40556034 DZTIIRFTPHGLJO-UHFFFAOYSA-N 260.293 2.327 10 40 CECB Cc1cc(/C=C2\NC(=S)N(CC(C)C)C2=O)c(C)n1C 2146002 XXBKMFCBFNKNFG-QPEQYQDCSA-N 291.420 2.356 10 40 CECB O=C1c2ccccc2C(=O)c2c1ccc1c(=O)[nH]sc21 4452314 AXFOCXXBAVLOJN-UHFFFAOYSA-N 281.292 2.365 10 40 CECB O=[N+]([O-])c1ccc(O)c(C2=NN[C@H](c3ccncc3)C2)c1 36047028 UGCFXFZWZFLALL-LBPRGKRZSA-N 284.275 2.134 10 40 CECB CN(C)c1ccc(CNC(=O)[C@H](N)c2ccccc2)cc1 40825837 LCZNFOPVUAPTRR-MRXNPFEDSA-N 283.375 2.069 10 40 CECB Cn1cc(/C=C/C(=O)N2CCc3ccccc32)cn1 2761264 PYTMNGHBKZPKCM-VOTSOKGWSA-N 253.305 2.023 10 40 CECB O=C1c2ccccc2C(=O)c2c1sc1cccc[n+]21 4576147 TUVSEDDUORWXPS-UHFFFAOYSA-N 266.301 2.262 10 40 CECB COC(=O)CSc1ncc(-c2ccccc2)n1C 40462481 GVOBQUFBXOFALP-UHFFFAOYSA-N 262.334 2.352 10 40 CECB Cc1cc(=O)[nH]c([C@H](C)Sc2nccs2)n1 96469065 JFGRVYKGUHKGJQ-ZETCQYMHSA-N 253.352 2.388 10 40 CECB Cc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 13799966 LXPUOCCHIOCFKW-PTNGSMBKSA-N 278.311 2.456 10 40 CECB O=C(O)[C@H]1CS[C@@H](c2c(O)ccc3ccccc23)N1 6476652 YSQHEHCNKUBBIK-MFKMUULPSA-N 275.329 2.334 10 40 CECB CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(F)cc1)C(=O)C2=O 100198389 LHXCYWIUALAIFS-ZBEGNZNMSA-N 289.306 2.339 10 40 CECB COc1ccccc1NC(=O)Cc1ccc(N)cc1 19274906 MUHVXGFUHAQVDL-UHFFFAOYSA-N 256.305 2.459 10 40 CECB O=C1c2cc3c(cc2C(=O)c2nc(O)ccc21)CCCC3 16940017 JUEVAQNINRBAFT-UHFFFAOYSA-N 279.295 2.441 10 40 CECB O=C1NN=C/C1=C/Nc1cc(Cl)cc(Cl)c1 3210282 MYKQJXMXBZQSQX-XQRVVYSFSA-N 256.092 2.405 10 40 CECB CC[C@](O)(CN=[N+]=[N-])[C@@H](C)NC(=O)OC(C)(C)C 72207850 SFRLQADRBZVOIS-KCJUWKMLSA-N 258.322 2.351 10 40 CECB CC1=NC(=S)N(N)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1 100643919 QGAKLEAAOGRIQA-FZQCLQRZSA-N 295.755 2.254 10 40 CECB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccco3)C2=O)cc1 8557340 PLGYEYUIBSSBMR-LCYFTJDESA-N 296.282 2.254 10 40 CECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccco2)SC1=S 1277223 UFOWPYRRGUZQSR-AXDULGOBSA-N 297.357 2.042 10 40 CECB Cc1cc(O)nc(O)c1C(=O)CC(=O)c1ccccc1 104094655 DUKJFRAWVOJCTF-UHFFFAOYSA-N 271.272 2.257 10 40 CECB CN1C(=O)/C(=C/c2cccc(Br)c2)NC1=S 9189141 QXVWKOKXBMPQSR-TWGQIWQCSA-N 297.177 2.137 10 40 CECB C[C@@H](Oc1ccc(N)cc1)C(=O)Oc1ccc(N)cc1 220405359 QVXNYHKMMDVWOA-SNVBAGLBSA-N 272.304 2.224 10 40 CECB COc1ccc(N2CCN[C@@H]3CCCC[C@H]32)c(OC)c1 218833368 MRKMHLBYXHQCOE-ZIAGYGMSSA-N 276.380 2.425 10 40 CECB CC(C)N1C(=O)/C(=C\c2cnn(C)c2)SC1=S 6388545 KBGWAVAOXVOEDJ-RUDMXATFSA-N 267.379 2.030 10 40 CECB CNC(=O)c1nc[nH]c1/N=N/c1ccc(OC)cc1OC 4476837 RJLGXJDDNYSOSE-ISLYRVAYSA-N 289.295 2.202 10 40 CECB CC(=O)c1cccc(N2C(=O)CSC2=S)c1 16808027 XYXVEKRXTYDEBW-UHFFFAOYSA-N 251.332 2.254 10 40 CECB COC(=O)c1sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2c1O 3622342 RVEUEHXRASBOTE-UHFFFAOYSA-N 298.232 2.210 10 40 CECB CC(C)OCCN(C)Cc1ccc(N2CCOCC2)cc1 69460401 MMSFSLKZHMBXJB-UHFFFAOYSA-N 292.423 2.380 10 40 CECB CC12CN3CC(C)(CN(C1)C3c1ccc(O)c(O)c1)C2 19322375 IPFSIPABXFHRSO-UHFFFAOYSA-N 274.364 2.144 10 40 CECB biogenic CCCC[C@@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H]2C 137108744 FYGYKMDOIGZNQO-UHXUCMFUSA-N 286.335 2.479 10 40 CECB CN1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361121 SPGFWQDCKCWKRM-XFFZJAGNSA-N 287.369 2.461 10 40 CECB C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncccc1[N+](=O)[O-] 96006331 ANICCNXNSJFMFO-VIFPVBQESA-N 289.291 2.444 10 40 CECB c1cn2c(n1)[C@H](CNCc1ccc3c(c1)CCO3)CCC2 84459193 UBQSXABKOBEKCY-HNNXBMFYSA-N 283.375 2.485 10 40 CECB O=C(O)c1sc2c(O)c(O)cc(O)c2c1Cl 228942062 YWGLBNLRMIIQNZ-UHFFFAOYSA-N 260.654 2.370 10 40 CECB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccncc1 40462391 RHUOKESTVKXKMO-UHFFFAOYSA-N 269.348 2.420 10 40 CECB Cc1cc(C(=O)CS(C)(=O)=O)c(C)n1-c1ccccc1 46138572 GBCNCLNNHHWIPP-UHFFFAOYSA-N 291.372 2.321 10 40 CECB Oc1ccc(-c2csc(CN3CCOCC3)n2)cc1O 78594767 WFZDKNSAACTWDD-UHFFFAOYSA-N 292.360 2.054 10 40 CECB COc1cc([C@H]2NCCc3cc(O)c(O)cc32)ccc1O 19691253 VFVHBGRIYWENGB-MRXNPFEDSA-N 287.315 2.047 10 40 CECB biogenic CCOC(=O)c1sc2nc([C@H]3CCNC3)ccc2c1N 72398526 HBHONKOPOAEVPT-QMMMGPOBSA-N 291.376 2.132 10 40 CECB CSCC[C@H](NCc1ccc(N(C)C)cc1)C(=O)O 62718014 HFXHKWAXMRNPHG-ZDUSSCGKSA-N 282.409 2.049 10 40 CECB NNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 18140342 RNJKCWOGTITGAH-CCEZHUSRSA-N 276.321 2.254 10 40 CECB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)C=[N+]=[N-] 390783731 TVEZBIORYYZQAS-RISCZKNCSA-N 289.335 2.197 10 40 CECB O=C1NN(c2ccccc2)C(=O)/C1=C\Nc1ccccc1 13409696 QNXPCSMGLNDYEZ-KAMYIIQDSA-N 279.299 2.060 10 40 CECB COc1ccc(NS(=O)(=O)Cc2ccc(N)cc2)cc1 22150385 AVAADMXSZRMYBG-UHFFFAOYSA-N 292.360 2.219 10 40 CECB in-vitro COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 13409642 ARYACVYIMURALZ-PTNGSMBKSA-N 294.310 2.157 10 40 CECB COc1ccc(N2CCN(C(=O)c3ccoc3)CC2)cc1 9365624 LXCXUADKRWPWED-UHFFFAOYSA-N 286.331 2.251 10 40 CECB CO[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 50437058 RVXLRHDSDUHCOB-MRXNPFEDSA-N 284.359 2.315 10 40 CECB CCC(=O)c1ccc(/N=N\c2c(N)nc(N)nc2O)cc1 104090944 GAYNRSMFNYLFEG-HNENSFHCSA-N 286.295 2.355 10 40 CECB Cc1nc2ccccc2n1C[C@H](O)COc1ccc(N)cc1 818234 FPLOPSGSKVYYLL-AWEZNQCLSA-N 297.358 2.367 10 40 CECB [N-]=[N+]=NC1(N=[N+]=[N-])C(=O)c2cccc3c2N(CCC3)C1=O 104230452 LTJFWNHFKYSJRQ-UHFFFAOYSA-N 283.251 2.479 10 40 CECB O=C1c2c(O)ccc(O)c2C(=O)c2c(F)ccc(F)c21 65740254 KHRGWLXZUCITCL-UHFFFAOYSA-N 276.194 2.151 10 40 CECB in-vitro O=C(NCCCSc1nccs1)c1ccccn1 79310627 XKYNNPWQLQGYAH-UHFFFAOYSA-N 279.390 2.450 10 40 CECB CC1(C)OC(=O)C(=CNc2cccc3cccnc23)C(=O)O1 2543368 UEZIKDYLTILMQY-UHFFFAOYSA-N 298.298 2.367 10 40 CECB CCOc1cccc(/C=C2\SC(NC(C)=O)=NC2=O)c1 409025909 ADZJNUJPVOPRMF-WQLSENKSSA-N 290.344 2.192 10 40 CECB COc1ccccc1N/C=C1\SC(=S)N(C)C1=O 1554499582 QHIKIAJUFGCAGF-YFHOEESVSA-N 280.374 2.439 10 40 CECB COc1ccc2c(c1OC)C(=O)c1ccccc1C2=O 4127831 AMKRBKSZCGCEJK-UHFFFAOYSA-N 268.268 2.479 10 40 CECB O=C(O)CN1C(=O)/C(=C\[C@H]2CC=CCC2)SC1=S 5376784 NAEDSAXIBWILRE-CYXIBPNKSA-N 283.374 2.172 10 40 CECB C[C@H]1CCC[C@H](NC(=O)COc2ccc(N)cc2)C1 20155159 BGEKZLLVWQIYRS-AAEUAGOBSA-N 262.353 2.343 10 40 CECB COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 20185800 DOJMAVSSBOXGOZ-UHFFFAOYSA-N 256.305 2.459 10 40 CECB CCOC(=O)[C@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@@H]12 4140573 LQFSYWYGZHWLIW-WDMOLILDSA-N 287.315 2.402 10 40 CECB O=C1c2ccccc2C(=O)C2C(=O)c3ccccc3C(=O)C12 100487787 QLQNVANYCBGLKC-UHFFFAOYSA-N 290.274 2.377 10 40 CECB Oc1ccc(Cl)cc1CNCCN1CCCC1 19358873 DNQSFZCBKFSQTN-UHFFFAOYSA-N 254.761 2.231 10 40 CECB O=C(NCCc1ccc(O)c(O)c1)c1ccncc1Cl 95446617 VPLAGARIISMTIE-UHFFFAOYSA-N 292.722 2.119 10 40 CECB CC1=NNC(=O)/C1=C\c1c(C)n(C)c2ccccc12 96836111 NHATXVPCEOZNHI-WQLSENKSSA-N 253.305 2.376 10 40 CECB O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1cccs1 368296 JEITXJUBDOIWJN-WQLSENKSSA-N 288.303 2.349 10 40 CECB COc1ccc(CNC2CCN(C(C)=O)CC2)cc1C 35052747 QTGZHZSXLOOGGI-UHFFFAOYSA-N 276.380 2.104 10 40 CECB NC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=S 1799980 NKCWNKKOPNMVFT-RMKNXTFCSA-N 278.358 2.009 10 40 CECB C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)O1 27331314 AUUYEGARRSUMMT-CHWSQXEVSA-N 291.395 2.071 10 40 CECB COc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)O)[C@H]1CC=C[C@H]21 7275042 PVYYIZZOQDXNMG-RVBZMBCESA-N 290.275 2.142 10 40 CECB CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CN=[N+]=[N-] 72207809 BPTQOJJYXGYOFB-IUCAKERBSA-N 258.322 2.207 10 40 CECB Cc1noc(C)c1C(=O)NCc1ccc(N(C)C)cc1 15134877 YQYUUWJGCGHKNE-UHFFFAOYSA-N 273.336 2.287 10 40 CECB O=C1[C@@H](NCc2ccccc2O)CCN1Cc1ccccc1 78394187 HCTXLPGSPZILRM-INIZCTEOSA-N 296.370 2.283 10 40 CECB CCN1C(=O)N/C(=C/c2ccc(N(CC)CC)cc2)C1=O 361594 BBLYFRBTIUALLW-SDNWHVSQSA-N 287.363 2.445 10 40 CECB CC(=O)N[C@H](CS/N=N/c1ccc(C)cc1)C(=O)O 16948516 DXCZQHVBZLKTTE-BFWGRDPESA-N 281.337 2.316 10 40 CECB O=C1c2cccnc2C(=O)c2sc(-c3ccncc3)nc21 255189778 RZCQDPGGTGZEJD-UHFFFAOYSA-N 293.307 2.376 10 40 CECB CN(Cc1ccc(N(C)C)cc1)Cc1cnn(C)c1 95468657 UGBKCVXNLONSFL-UHFFFAOYSA-N 258.369 2.118 10 40 CECB Nc1ccc(OCC(=O)N2CCc3ccccc32)cc1 38055515 LBKPYOPRTCSWCF-UHFFFAOYSA-N 268.316 2.237 10 40 CECB Cc1ccc(S(=O)(=O)Oc2ccc(N)cc2)cc1 3130035 CUDKLDVRGQPLQK-UHFFFAOYSA-N 263.318 2.345 10 40 CECB COCCN1C(=O)/C(=C/c2ccc(C)o2)SC1=S 13547882 GERHKGVTCDDIKX-YFHOEESVSA-N 283.374 2.436 10 40 CECB CC(=O)NC1=NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 408763475 FRBGAUTXFXELBQ-SDQBBNPISA-N 285.328 2.274 10 40 CECB Cc1nc(C)c(S(=O)(=O)Nc2ccc(O)cc2)s1 95990420 KEDPXTBWTSLMDV-UHFFFAOYSA-N 284.362 2.266 10 40 CECB COc1ccc(N2CCN[C@@H]3CCC[C@@H]32)c(OC)c1 225716747 HLBIQSMTSOTBOY-OLZOCXBDSA-N 262.353 2.035 10 40 CECB CN(C)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 12543369 JVFYRTQQUSWEOI-UHFFFAOYSA-N 298.342 2.411 10 40 CECB Cc1cc(C)nc(NCCNCc2ccc(N(C)C)cc2)n1 62717875 YMMUYVBFTSVEFU-UHFFFAOYSA-N 299.422 2.361 10 40 CECB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccccc1F 408972904 HMWAHGACYNSAIT-FLIBITNWSA-N 275.279 2.128 10 40 CECB [N-]=[N+]=NC[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 1888990281 JZROPEKICZXKIN-JTQLQIEISA-N 274.280 2.074 10 40 CECB CCCN1C(=O)N/C(=C/c2ccc(N(C)C)cc2)C1=O 9892694 GFAOZZHNTUGNMU-JLHYYAGUSA-N 273.336 2.055 10 40 CECB O=C1N=C(N2CCCC2)S/C1=C/c1ccc(O)cc1O 8569661 GZYBOZPAFOMTQK-KPKJPENVSA-N 290.344 2.164 10 40 CECB CN(C)Cc1c(O)ccc(C(=O)c2ccccc2)c1O 19593594 AFDKQAITJBJNAJ-UHFFFAOYSA-N 271.316 2.390 10 40 CECB O=C1c2ccccc2C(=O)c2nc3ccccc3nc21 32157261 QDORCAFTCNTEPU-UHFFFAOYSA-N 260.252 2.405 10 40 CECB COc1cccc(NC(=O)COc2ccc(N)cc2)c1 19395399 IOFZFWMNBBLOKU-UHFFFAOYSA-N 272.304 2.295 10 40 CECB COC(=O)[C@H](/N=N/c1ccccc1)[C@H](O)C(F)(F)F 100388522 ACJPJWZAYJWGEC-VBOAXAILSA-N 276.214 2.235 10 40 CECB CN1c2ccccc2S[C@@H]2C=CC(CC(N)=O)=C[C@@H]21 48024922 GWRSFAVGQQCELY-GXTWGEPZSA-N 272.373 2.337 10 40 CECB CC(C)CO[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 42386216 NPZYJOXADPJCJZ-ZDUSSCGKSA-N 278.396 2.430 10 40 CECB Nc1ccc(OCC(=O)Nc2ccccc2F)cc1 19387094 BLOAMDPMOYIJTE-UHFFFAOYSA-N 260.268 2.425 10 40 CECB COc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21 22204531 PVYYIZZOQDXNMG-ZDMBXUJBSA-N 290.275 2.142 10 40 CECB COc1ccc(N2CCN(C(=O)N3CCCC3)CC2)cc1 8714461 XOPFTZLOJBPTIW-UHFFFAOYSA-N 289.379 2.033 10 40 CECB COc1cc(N2CCN[C@H]3CCC[C@H]32)cc(OC)c1OC 218847919 VCDCMXDZYLMONE-QWHCGFSZSA-N 292.379 2.043 10 40 CECB CC(=O)NC1=NC(=O)/C(=C/Nc2ccc(Cl)cc2)S1 618255035 NRUKFKRCZFIIBF-POHAHGRESA-N 295.751 2.359 10 40 CECB Oc1cc2c(cc1O)[C@H](c1ccc3c(c1)OCO3)NCC2 3728059 FYQYTNGASNPZPC-INIZCTEOSA-N 285.299 2.062 10 40 CECB C[C@@H](O)[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 225614328 LZBYHXMNTYBGNE-GHMZBOCLSA-N 253.317 2.124 10 40 CECB Cc1cn(-c2ccccc2)c(C)c1/C=C1\NC(=S)NC1=O 13602844 NVSVNAILYDIIDV-ZSOIEALJSA-N 297.383 2.439 10 40 CECB Cc1cc(O)c(CN2CCC3(CC2)OCCO3)cc1C 26609476 CMADTYKULPPEQW-UHFFFAOYSA-N 277.364 2.348 10 40 CECB COC(=O)c1ccc(NC(=O)C(C)(C)N=[N+]=[N-])cc1O 1775964733 AMVNFYRNWYFEPO-UHFFFAOYSA-N 278.268 2.206 10 40 CECB COc1cc(N2CCOCC2)c(-n2cccc2)cc1OC 226246286 SRZKUQGUQDCPCI-UHFFFAOYSA-N 288.347 2.331 10 40 CECB COc1ccc2c(c1O)CNC[C@H]2c1ccc(O)c(O)c1 24717556 HCSVOIBUMVAWST-NSHDSACASA-N 287.315 2.047 10 40 CECB CCNc1ccc(C2(O)C(=O)c3ccccc3C2=O)cc1 3208530 SWFBFORKSUQBKG-UHFFFAOYSA-N 281.311 2.385 10 40 CECB Cc1cc(C(=O)O)c(C)n1-c1ccccc1C(=O)O 1610370 DVZYOZHLHLNWLH-UHFFFAOYSA-N 259.261 2.491 10 40 CECB CCN(CC)c1ccc(CNCCC(=O)OC)cc1 19736878 MPWWEJJJWDRPDO-UHFFFAOYSA-N 264.369 2.186 10 40 CECB O=C1N=C(N2CCOCC2)S/C1=C\c1cccs1 62348 KIXBNLUJUHXGFK-NTMALXAHSA-N 280.374 2.051 10 40 CECB CN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 1818081 OQCYYOYRSWBZIF-TWGQIWQCSA-N 280.330 2.426 10 40 CECB CN1CCCc2cc(CNC(=O)c3ccncc3)ccc21 58202794 ZTNFEMMDDSGLDH-UHFFFAOYSA-N 281.359 2.394 10 40 CECB Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 3434814 YUDDAGJPUYPYKL-UHFFFAOYSA-N 284.287 2.348 10 40 CECB CC[C@H](NC[C@](C)(O)c1cnn(C)c1)c1ccccc1O 155993815 CZWSEWSOBLHEIY-HOCLYGCPSA-N 289.379 2.074 10 40 CECB COc1ccc(/C=C2\SC(S)=NC2=O)cc1O 6297426 PCTZLDOIVAVMME-UITAMQMPSA-N 267.331 2.301 10 40 CECB biogenic,in-vitro CC[C@@H](NC(=O)c1cccc(C(N)=O)c1)c1ccccc1O 69698820 BJDQYHISVFPXIZ-CQSZACIVSA-N 298.342 2.372 10 40 CECB O=C(O)c1ccc2c(c1)C(=O)[C@@H]1C=CC=C[C@@H]1C2=O 642882836 AONBVLIYHGCRMQ-VHSXEESVSA-N 254.241 2.122 10 40 CECB CC[C@H](NC(=O)c1cccc(C(N)=O)c1)c1ccccc1O 69698819 BJDQYHISVFPXIZ-AWEZNQCLSA-N 298.342 2.372 10 40 CECB Cc1ccsc1/C=C1/SC(=S)N(CC(=O)O)C1=O 1187911 FQJIAHKVXNKTCV-XBXARRHUSA-N 299.398 2.342 10 40 CECB O=C1OC(c2ccccc2)=N/C1=C1\CCCCCN1 25326684 PSSPIUBGKZPKGC-OUKQBFOZSA-N 256.305 2.365 10 40 CECB Fc1cc(CNc2ncccn2)ccc1N1CCOCC1 52456949 SQRGZZNOJUHSEA-UHFFFAOYSA-N 288.326 2.064 10 40 CECB COc1cc(/C=C2\SC(=S)NC2=O)cc(OC)c1 12567284 DGXJIOAPRQOTFP-YHYXMXQVSA-N 281.358 2.193 10 40 CECB in-vitro CC(C)([N+](=O)[O-])/[N+]([O-])=N/c1nonc1NC1CCCCC1 67197396 BEVXRISSKBTDFM-SSZFMOIBSA-N 298.303 2.421 10 40 CECB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC[C@@H]1CCCO1 100422788 SANRKBCQLCOZLP-JORMNFRLSA-N 299.374 2.452 10 40 CECB COCCCNCc1c(O)ccc2c(C)c(C)c(=O)oc12 8739196 SURHZZOJFBNYFH-UHFFFAOYSA-N 291.347 2.242 10 40 CECB CCOC(=O)c1cn[nH]c1/N=N/c1ccc(O)cc1O 4817980 MMDBVRGMYWKPBF-JQIJEIRASA-N 276.252 2.413 10 40 CECB Nc1ccc(Nc2cc(N3CCCC3)ncn2)cc1 217512427 XUOPMLIBKRLLQG-UHFFFAOYSA-N 255.325 2.403 10 40 CECB Cc1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)o1 12462488 UOFRADYPBPSJLJ-JYRVWZFOSA-N 286.262 2.189 10 40 CECB Nc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1 5003136 SPKIJGYKSMWXRB-UHFFFAOYSA-N 273.244 2.458 10 40 CECB C[C@H](C(=O)NCCCSc1nccs1)n1cccn1 79310596 TWLMSTZKLCQXMM-SNVBAGLBSA-N 296.421 2.199 10 40 CECB CCn1ncc(/C=C2\SC(S)=NC2=O)c1C 2573449 JHFHNTHPLINCJF-YWEYNIOJSA-N 253.352 2.112 10 40 CECB CCCCN(C)/N=N/c1c(C(=O)OC)n[nH]c1C 18058502 QPJJENPWBARMJN-CCEZHUSRSA-N 253.306 2.235 10 40 CECB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)C=[N+]=[N-] 390783730 TVEZBIORYYZQAS-BXUZGUMPSA-N 289.335 2.197 10 40 CECB CC(=O)N(C)c1ccc(N)c2c1C(=O)c1ccccc1C2=O 4522756 MEVLTQLZYLFDGY-UHFFFAOYSA-N 294.310 2.027 10 40 CECB COc1ccc(CCN2C(=O)CSC2=S)cc1 11692206 XKQMYYNWVQQGPH-UHFFFAOYSA-N 267.375 2.098 10 40 CECB OC1(CNCc2ccc3c(c2)CCO3)CCCCC1 58161930 TVWWRRGMMVVBNI-UHFFFAOYSA-N 261.365 2.406 10 40 CECB CC(C)(C)OC(=O)N1CC(Oc2ccc(N)cc2)C1 96948534 PICUPTVRCDYBCN-UHFFFAOYSA-N 264.325 2.267 10 40 CECB O=C1NC(=S)S/C1=C\c1coc2ccccc2c1=O 4107707 VOQKYYMMDXMDIG-YHYXMXQVSA-N 289.337 2.282 10 40 CECB CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4245167 QLBLLPHHKLJIQF-JTNHKYCSSA-N 272.304 2.183 10 40 CECB C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2)SC1=S 5178547 GFGSSPUNEUQZRU-RYGSOJJJSA-N 293.369 2.361 10 40 CECB Oc1cc2c(cc1CN1CCO[C@H]3CCCC[C@@H]31)OCO2 54545483 XKWKAHISKDRAAC-JSGCOSHPSA-N 291.347 2.264 10 40 CECB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccncc1 409192877 GPNSUTHACKKNTA-NTEUORMPSA-N 296.330 2.012 10 40 CECB Cc1nnc([C@H]2CCN(Cc3ccc(N(C)C)cc3)C2)o1 49169190 KMTGGJREFGOXGH-AWEZNQCLSA-N 286.379 2.434 10 40 CECB biogenic,in-vitro CCOC(=O)c1nc[nH]c1/N=N/c1c(C)n[nH]c1C 6160243 KDNLINSLJLGGJH-WUKNDPDISA-N 262.273 2.342 10 40 CECB CCCCOC(=O)c1n[nH]c(C)c1/N=N\N(C)C 104127812 INJJVQTUPKEDHI-PFONDFGASA-N 253.306 2.235 10 40 CECB Cc1nc(CC(=O)NCc2ccc(N(C)C)cc2)cs1 23956815 XTYZLRDELORVHC-UHFFFAOYSA-N 289.404 2.376 10 40 CECB Cc1cc(C(=O)N[C@@H](C)CO)c(C)n1-c1ccccc1F 97204421 DZIMMMKEKASKHS-JTQLQIEISA-N 290.338 2.344 10 40 CECB CC[C@@H](NC(=O)c1csnn1)c1ccccc1O 95445908 RATGGKFCFOWGBZ-SECBINFHSA-N 263.322 2.125 10 40 CECB Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O 5410506 QPAGCTACMMYJIO-UHFFFAOYSA-N 254.241 2.182 10 40 CECB biogenic,in-vitro CN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 4579108 CCWKDSPKUCORRF-RMKNXTFCSA-N 251.332 2.223 10 40 CECB CCc1ccc(NC2(O)C(=O)c3ccccc3C2=O)cc1 39372288 VHLFKQCPTSILCP-UHFFFAOYSA-N 281.311 2.429 10 40 CECB Oc1ccc(CNc2cnn(CC(F)F)c2)c(O)c1 90190722 RXDVSRYWAKCCEQ-UHFFFAOYSA-N 269.251 2.172 10 40 CECB CCOc1ccc(N(C)CC(=O)NCc2ccccn2)cc1 96417466 HXVCOHVURFSHPN-UHFFFAOYSA-N 299.374 2.233 10 40 CECB Oc1ccc([C@H]2NCCc3cc(O)c(O)cc32)cc1 16401295 KBAMCVSRYDRUDD-OAHLLOKOSA-N 257.289 2.039 10 40 CECB CC(=S)N/C=C1/C(=O)N(c2ccccc2)N=C1C 17223470 PXTATLNVJUQHJX-XYOKQWHBSA-N 259.334 2.230 10 40 CECB CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1CCCCC1)C(=O)C2=O 1829327 RVQYQUPCDLQJSY-DLBZAZTESA-N 291.391 2.400 10 40 CECB COCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 9189373 SLWWJLZZCYHFRL-FLIBITNWSA-N 295.385 2.240 10 40 CECB O[C@H]1Cc2ccccc2[C@H]1NCc1ccc2c(c1)CCO2 51188040 ARYPKHFKGBTWBN-FUHWJXTLSA-N 281.355 2.369 10 40 CECB CC(=S)N/C=C1\C(=O)N(c2ccccc2)N=C1C 103843521 PXTATLNVJUQHJX-WQLSENKSSA-N 259.334 2.230 10 40 CECB CC1(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(F)cc1)C(=O)C2=O 100198386 LHXCYWIUALAIFS-BDJLRTHQSA-N 289.306 2.339 10 40 CECB CNC(=O)c1nc[nH]c1/N=N/c1ccc(N(C)C)cc1 4476834 OAWULASEWIMSHA-ISLYRVAYSA-N 272.312 2.251 10 40 CECB O=C1/C(=C/NC2CC2)SC(=S)N1Cc1ccco1 618254479 CQBVGKAECXJHHK-POHAHGRESA-N 280.374 2.233 10 40 CECB CN1C(=O)/C(=C/Nc2ccccc2O)SC1=S 618254486 CXHCBTMNRQREAA-TWGQIWQCSA-N 266.347 2.136 10 40 CECB CN1C(=O)/C(=C\c2ccc(C=O)cc2)SC1=S 5046005 DLDRJVRRHBGGBZ-UXBLZVDNSA-N 263.343 2.330 10 40 CECB Cc1noc(/C=C\c2ccc(O)c(O)c2)c1[N+](=O)[O-] 107880690 HWNMJYKWTPQKIN-HYXAFXHYSA-N 262.221 2.473 10 40 CECB CCN1C(=O)/C(=C/C=C2/SCCN2C)SC1=S 988776 WBOILOFIBGGYFC-MVTUOISNSA-N 286.447 2.271 10 40 CECB Oc1ccc(F)cc1CN1CCC[C@H]1Cn1ccnc1 188414583 VEWVZSFUBQHSAY-AWEZNQCLSA-N 275.327 2.392 10 40 CECB CCC(=O)NCc1ccc(N2CCSCC2)cc1 48607680 REMDSUXVJKXQJT-UHFFFAOYSA-N 264.394 2.266 10 40 CECB CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)N(C)C1=S 409035204 OZBKCPLNHZZDEZ-RAXLEYEMSA-N 289.404 2.172 10 40 CECB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)o1 15218934 DAIAJSOQDQWBAR-UKTHLTGXSA-N 296.282 2.254 10 40 CECB CC(=O)C(/N=N\c1ccc([N+](=O)[O-])cc1)(C(C)=O)C(C)=O 104217419 BBOXJQJKGNXZJE-PFONDFGASA-N 291.263 2.184 10 40 CECB Cc1ccc(C(=O)O)cc1N1C(=O)CSC1=S 28296831 YGUCPFZRQBTFRZ-UHFFFAOYSA-N 267.331 2.058 10 40 CECB CONC(=O)c1cc(C)n(-c2cccc(OC)c2)c1C 57307287 DEGQZYVTNYFTSU-UHFFFAOYSA-N 274.320 2.394 10 40 CECB Oc1ccc(-c2csc(N3CCOCC3)n2)cc1O 58215064 LFEDSTXSBTVNCB-UHFFFAOYSA-N 278.333 2.058 10 40 CECB O=C(NCCCSc1nccs1)Nc1cn[nH]c1 75139370 DEVKRUKEOLAPIL-UHFFFAOYSA-N 283.382 2.170 10 40 CECB O=C1NC(=S)S/C1=C/NCc1ccccc1Cl 20032684 IAWLNOPRBVSQQJ-RMKNXTFCSA-N 284.793 2.419 10 40 CECB COC(=O)c1ccccc1NCc1cc(O)ccc1O 1634411 HOYMVLYORHKZIY-UHFFFAOYSA-N 273.288 2.497 10 40 CECB CCN1C(=O)/C(=C\c2ccc(O)cc2)C(C(=O)OC)=C1C 408792428 BKOVEYMBHFKFAL-LCYFTJDESA-N 287.315 2.085 10 40 CECB CCOc1ccc(/C=C2\SC(=S)NC2=O)c(O)c1 13476295 PAUVHHXQIMCUBA-YHYXMXQVSA-N 281.358 2.280 10 40 CECB COc1cc2c(cc1OC)-n1c(C)ccc1CNC2=O 15082967 JMFYZWDZKJVIGE-UHFFFAOYSA-N 272.304 2.046 10 40 CECB Oc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3NCC2 29233511 NJHVXDOSDODUHB-GFCCVEGCSA-N 269.300 2.213 10 40 CECB CC1=NN2C(=N)/C(=C/c3ccsc3)C(=O)N=C2S1 41108171 ACHNCMJEUMKVME-YABTUKOFSA-N 276.346 2.387 10 40 CECB Cc1cc2oc3c(c2c(=O)[nH]1)C(=O)c1ccccc1C3=O 16952888 GLUAAAPUIBBESK-UHFFFAOYSA-N 279.251 2.205 10 40 CECB O=C(O)c1ccc(CNCc2ccccc2O)cc1 72226832 GTYYYHFRRKKWOE-UHFFFAOYSA-N 257.289 2.380 10 40 CECB CN(C)c1ccc(/C=C/C(=O)NC[C@@H]2CCCOC2)cc1 55921011 GYDTVBHEXZRWCY-VSGCLNPGSA-N 288.391 2.309 10 40 CECB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccs1 296614 VYMOXHRGVXEVOZ-FMIVXFBMSA-N 270.313 2.210 10 40 CECB aggregator O=CNc1ccc2c(c1)C(=O)c1ccccc1C2=O 4748410 PCWYOCSEPDZANF-UHFFFAOYSA-N 251.241 2.030 10 40 CECB COC(=O)/C=C1\SC(Nc2ccccc2C)=NC1=O 565104 CRNNRPGFHLGDGV-YFHOEESVSA-N 276.317 2.093 10 40 CECB CN(Cc1ccc(C(N)=O)cc1)Cc1ccc(N(C)C)cc1 12551230 CTULGKFWYYPVEL-UHFFFAOYSA-N 297.402 2.484 10 40 CECB COc1c(/C=C2/SC(=S)NC2=O)cccc1[N+](=O)[O-] 408718423 NRTICSIVFWNEEH-VMPITWQZSA-N 296.329 2.092 10 40 CECB Cc1noc(C)c1CC(=O)NCc1ccc(N(C)C)cc1 15135124 DCMRRVYRBKDDLJ-UHFFFAOYSA-N 287.363 2.216 10 40 CECB COc1cccc2c1C(=O)c1cccc(OC)c1C2=O 4783243 PEUAYWBFWSCPHA-UHFFFAOYSA-N 268.268 2.479 10 40 CECB Cc1ccccc1/C=C1\SC(=S)N(CC(=O)O)C1=O 12587373 GAQYWLWYKXKTOP-POHAHGRESA-N 293.369 2.281 10 40 CECB COC(=O)c1ccc(OC)c(-n2c(C)cc(CO)c2C)c1 223718350 QIVCWXUXSUSKSJ-UHFFFAOYSA-N 289.331 2.382 10 40 CECB CS(=O)(=O)c1ccc(NCc2ccccc2O)cc1 19917514 WTSQIANDQINRRQ-UHFFFAOYSA-N 277.345 2.408 10 40 CECB Cc1ccc(/N=N\c2c(N)nc(N)nc2O)c(C)c1 104125376 IGDDMOCNBANJEW-ZCXUNETKSA-N 258.285 2.379 10 40 CECB Cc1ccc(N2C(=O)N=C(O)/C(=C\NC3CC3)C2=O)cc1C 102485398 HAJJXPIWFWZTDX-MDWZMJQESA-N 299.330 2.362 10 40 CECB C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(N2CCOCC2)cc1 58407540 SBASYKSEBGKTDY-XEZPLFJOSA-N 288.391 2.356 10 40 CECB Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 35677243 HMALRDVVVWAKDT-UHFFFAOYSA-N 265.320 2.165 10 40 CECB CCOC(=O)[C@@H]1Nc2c(O)cccc2[C@H]2C=CC[C@@H]21 35598499 VTFJMPZCUSAADD-OLUVUFQESA-N 259.305 2.409 10 40 CECB CN(Cc1ccccc1O)C(=O)c1cc(C2CC2)[nH]n1 48606764 ZYEFYGFWKXRICW-UHFFFAOYSA-N 271.320 2.265 10 40 CECB Cc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409400143 PIEJWRIQAPXBAP-PTNGSMBKSA-N 278.311 2.456 10 40 CECB CC(C)n1nccc1CNCc1ccc(O)cc1O 256052311 MUYYUWWIIUONAG-UHFFFAOYSA-N 261.325 2.165 10 40 CECB O=C(O)CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1086353 SUCVQHNJHLDKDZ-UITAMQMPSA-N 297.332 2.112 10 40 CECB Cn1cccc1C1=NN=C(NC(C)(C)C)SC1 23622674 VCNJUZJOTWEGEP-UHFFFAOYSA-N 250.371 2.220 10 40 CECB O=Cc1cc(O)c(O)c(Br)c1Br 2566023 NPHFSCNBXDSJAS-UHFFFAOYSA-N 295.914 2.435 10 40 CECB biogenic CC(=O)C(/N=N/c1ccc([N+](=O)[O-])cc1)(C(C)=O)C(C)=O 101132867 BBOXJQJKGNXZJE-CCEZHUSRSA-N 291.263 2.184 10 40 CECB CC(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 5097794 JQJDPZGJPZTABJ-HNNXBMFYSA-N 277.412 2.128 10 40 CECB CN(C)CCCN1C(=O)/C(=C/c2ccco2)SC1=S 96935884 PCBXPXIMFKTMHF-LUAWRHEFSA-N 296.417 2.433 10 40 CECB CCCN(CC(=O)O)c1ccc(OC)cc1OC 225000358 WOWVFMHBLSXKFM-UHFFFAOYSA-N 253.298 2.005 10 40 CECB Cc1cccc(C(=O)C(=O)c2ccc3nccnc3c2)n1 95630764 HGTPPHZSQCBWIH-UHFFFAOYSA-N 277.283 2.399 10 40 CECB CC(C)N1CC[C@@H](NCc2ccc3c(c2)CCO3)C1 78553037 YZBKJSFJQSXOIA-OAHLLOKOSA-N 260.381 2.194 10 40 CECB Cc1nc2ccccc2n1C[C@@H](O)COc1ccc(N)cc1 818235 FPLOPSGSKVYYLL-CQSZACIVSA-N 297.358 2.367 10 40 CECB CC12CN3CC(C)(CN(C1)C3c1ccccc1O)C2 19324171 BVSOSWSBDCEXFT-UHFFFAOYSA-N 258.365 2.438 10 40 CECB CN(C)c1ccc(CN2CCC(CCN)CC2)cc1 15423990 OJDTUHPRMJZKCB-UHFFFAOYSA-N 261.413 2.313 10 40 CECB CC1=CN2C(=N)/C(=C\c3ccco3)C(=O)N=C2S1 5825938 QNEHKBLPIIBDAT-VGFVEDDPSA-N 259.290 2.447 10 40 CECB Cc1cc(CNC(=O)Nc2cn[nH]c2)ccc1N(C)C 72305990 QJFXSDPBZKIYKC-UHFFFAOYSA-N 273.340 2.106 10 40 CECB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1 359769 PKTTZLOKYWXRQV-SDNWHVSQSA-N 264.284 2.148 10 40 CECB Cc1cccc(/C=C2/SC(=S)N(C)C2=O)n1 113834900 IXRQRPTWMQLNIO-RMKNXTFCSA-N 250.348 2.221 10 40 CECB O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@H]1c1ccccn1 104142793 KOMHAFJULQUUQC-LBPRGKRZSA-N 268.228 2.153 10 40 CECB Cc1cccc(N/C=C2\SC(=S)NC2=O)c1 584906213 CVFKOHJQVDKGAH-TWGQIWQCSA-N 250.348 2.396 10 40 CECB Cc1n[nH]c(C(F)(F)F)c1/N=N/N1CCOCC1 95548124 ZCMKKFLZOGVHPV-JQIJEIRASA-N 263.223 2.068 10 40 CECB CCN1C(=O)/C(=C/c2cn(CC)nc2C)SC1=S 17008662 HKAAJYJDPXCJDG-POHAHGRESA-N 281.406 2.433 10 40 CECB O=C(O)c1cccc2c1C(=O)c1ccccc1C2=O 3884565 POPBYCBXVLHSKO-UHFFFAOYSA-N 252.225 2.160 10 40 CECB COC(=O)c1cccc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21 18195376 MVRAHNKBSITDJL-PLMOITTCSA-N 273.288 2.012 10 40 CECB O=C(O)CCC(=O)Nc1sc2c(c1C(=O)O)CCCC2 4175823 PLSOEOSAUVHFPC-UHFFFAOYSA-N 297.332 2.128 10 40 CECB CCN1C(=O)/C(=C\NCc2ccccc2)SC1=S 5791574 DNRPHJDKIDMJQP-PKNBQFBNSA-N 278.402 2.498 10 40 CECB O=C(O)c1ccc2c(c1)C(=O)[C@H]1C=CC=C[C@H]1C2=O 642882837 AONBVLIYHGCRMQ-ZJUUUORDSA-N 254.241 2.122 10 40 CECB COc1c(Cl)cc(N2CCNCC2)cc1Cl 2556735 AJOOWSQLZCGHIH-UHFFFAOYSA-N 261.152 2.412 10 40 CECB CC[C@H]1SC(=S)N(CCCCCC(=O)O)C1=O 5374409 FZJNJGUBFOSNMH-MRVPVSSYSA-N 275.395 2.270 10 40 CECB Cc1ccc(O)c(C2=NNC(=O)[C@H]3CCCC[C@H]23)c1 5542426 LWAHYQACONHMBQ-QWRGUYRKSA-N 258.321 2.341 10 40 CECB COc1ccc(N2CCN(Cc3ccnc(C)n3)CC2)cc1 72397389 KSFZUSANVVPSQY-UHFFFAOYSA-N 298.390 2.116 10 40 CECB NC1=NN2C(=CS[C@H]2c2ccccc2O)S1 59464815 YICRVQYJIAUFTF-VIFPVBQESA-N 251.336 2.215 10 40 CECB CC[C@H](C(=O)O)N(CC)c1ccc(OC)cc1OC 225000291 IXDGWSHYNDNEKH-LLVKDONJSA-N 267.325 2.393 10 40 CECB COc1ccc2c(c1)CCN2c1ncnc2c1CN(C)CC2 65474717 LPWKMXOKLQOAJZ-UHFFFAOYSA-N 296.374 2.167 10 40 CECB CC(=O)c1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1 215683 HFCNVYIXOOSYQL-UHFFFAOYSA-N 289.287 2.021 10 40 CECB O=C1c2ccccc2C(=O)c2c1nnn2Cc1ccccc1 59045050 LCHKHDDJQCHYKT-UHFFFAOYSA-N 289.294 2.102 10 40 CECB O=C(O)C[C@@H]1SC(=S)N(C2CCCCC2)C1=O 216812800 PQWAXVNAXLCBFM-QMMMGPOBSA-N 273.379 2.023 10 40 CECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccco2)SC1=S 1277225 UFOWPYRRGUZQSR-WRDFDADTSA-N 297.357 2.042 10 40 CECB CC(=O)NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S 5552723 ALGWADYHFTXYCZ-QKZJIALXSA-N 294.357 2.088 10 40 CECB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(N)cc1 3896359 LHLQAMIOXPCYGU-NFAWXSAZSA-N 278.396 2.271 10 40 CECB CCN1C(=O)C(=Cc2ccccc2)C(=O)N(CC)C1=S 6205511 KQUKDRPNVOIRAT-UHFFFAOYSA-N 288.372 2.066 10 40 CECB CC[C@@](O)(CN=[N+]=[N-])[C@@H](C)NC(=O)OC(C)(C)C 72207849 SFRLQADRBZVOIS-LDYMZIIASA-N 258.322 2.351 10 40 CECB CC[C@H](N=[N+]=[N-])C(=O)NCCc1ccc(OC)c(OC)c1 2298165418 FUMLRGJDRRDBQI-NSHDSACASA-N 292.339 2.451 10 40 CECB COC(=O)c1ccc(-n2c(C)cc(CO)c2C)cc1 8701672 DUHYJIOXIKUSJC-UHFFFAOYSA-N 259.305 2.373 10 40 CECB Cc1noc(C)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 97098101 XGTMBRDYEVNBAA-MRVPVSSYSA-N 290.319 2.064 10 40 CECB CCN1C(=O)/C(=C/c2cc(C)n(C)c2C)N(C)C1=S 409131014 MPHAVOMGRDGHON-WQLSENKSSA-N 277.393 2.062 10 40 CECB Cc1cccc(/C=C2\SC(N3CCOCC3)=NC2=O)c1 13547521 YTZWRUMUTKKBMT-RAXLEYEMSA-N 288.372 2.298 10 40 CECB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCO 100423183 RUICGVJSULKGAB-QINSGFPZSA-N 287.363 2.045 10 40 CECB CCN(CC)/N=N\c1ccc(S(=O)(=O)O)cc1 1740818995 XWMYYWRDGHOPAR-QXMHVHEDSA-N 257.315 2.274 10 40 CECB CN1C(=O)C(=Cc2ccc3ccccc3c2)C(=O)N(C)C1=O 12751948 FTPAFQXYQMRJEC-UHFFFAOYSA-N 294.310 2.274 10 40 CECB O=C1NN=C(c2ccccc2)/C1=C\NCc1cccs1 6088103 IGBMBSPKEDAJEK-JLHYYAGUSA-N 283.356 2.256 10 40 CECB CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccccc1F)C(=O)C2=O 4727491 HILYWRKYDBKMPL-ABKXIKBNSA-N 289.306 2.339 10 40 CECB Cc1ccccc1NC=C1C(=O)OC(C)(C)OC1=O 3018255 SVLVTOKDVXFORE-UHFFFAOYSA-N 261.277 2.127 10 40 CECB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N)cc2)cc1 35360318 UBUUFWMIYYCCAI-UHFFFAOYSA-N 290.388 2.398 10 40 CECB COc1ccc(N2CCN[C@H]3CCCC[C@@H]32)c(OC)c1 225713137 MRKMHLBYXHQCOE-KBPBESRZSA-N 276.380 2.425 10 40 CECB CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C\c1ccco1 17218419 IYHBAPMFSNXVAJ-LCYFTJDESA-N 296.282 2.427 10 40 CECB CN(C)/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 12861269 ZKBSLPLEAZYVLF-NTMALXAHSA-N 283.253 2.397 10 40 CECB Cn1cccc1/C=C1\SC(N2CCCC2)=NC1=O 8569675 CORHMSKCQFBBRO-LUAWRHEFSA-N 261.350 2.091 10 40 CECB CC(C)CC(=O)NC(=S)Nc1ccc(N)cc1 226237724 XOQDGCVWOFQZDD-UHFFFAOYSA-N 251.355 2.128 10 40 CECB O=C1N=C(N2CCOCC2)S/C1=C/c1ccccc1F 320068 HHKPJHSJIVFVHW-FMIVXFBMSA-N 292.335 2.128 10 40 CECB CC(=O)N1N=C(c2ccccn2)C[C@H]1c1ccccc1O 96096343 KCFFJZSTFYBBDA-HNNXBMFYSA-N 281.315 2.485 10 40 CECB O=C1NC(=S)S/C1=C/c1ccc(Cl)nc1 4106497 AVTRLSQFCHJDBP-ZZXKWVIFSA-N 256.739 2.224 10 40 CECB CC[C@H](NC(=O)Cc1ccon1)c1ccccc1O 95445909 RVLJBWBJOXCKJF-LBPRGKRZSA-N 260.293 2.190 10 40 CECB CC(=O)N[C@@H]1CCCN(Cc2cc(C)c(C)cc2O)C1 48621600 ZWNNKDPXWCYMES-OAHLLOKOSA-N 276.380 2.110 10 40 CECB CN(Cc1ccccc1O)C(=O)CCCn1ccnc1 71911649 XJIOEWLSLXIEFP-UHFFFAOYSA-N 273.336 2.028 10 40 CECB Cc1cnccc1CCNC(=O)c1ccc(C)c(O)c1O 97079700 IJNMINFXUDCPMO-UHFFFAOYSA-N 286.331 2.082 10 40 CECB CC(=O)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O 5160693 VPZXLTVIBKOBRG-UHFFFAOYSA-N 281.267 2.126 10 40 CECB NC1=NC(=O)/C(=C/c2ccnc3ccccc23)S1 17299675 MBHBIJDGRZJPJU-XFFZJAGNSA-N 255.302 2.164 10 40 CECB O=C(Cc1ccc(F)cc1)c1ccc(O)c(O)c1O 301217 AJUOCCICGXUFGN-UHFFFAOYSA-N 262.236 2.368 10 40 CECB Cc1cc([C@H]2CC(=O)Nc3ncnn32)ccc1N1CCCC1 6613171 BCRDIZADTRMAHZ-CQSZACIVSA-N 297.362 2.118 10 40 CECB CC(=O)NC1=NC(=O)/C(=C/Nc2cccc(C)c2)S1 618255354 YRAAEKBKYIVFFV-XFFZJAGNSA-N 275.333 2.014 10 40 CECB Nc1ccc(OP(=O)(O)Oc2ccc(N)cc2)cc1 72481922 XSGVJRBLHAALGL-UHFFFAOYSA-N 280.220 2.409 10 40 CECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccs1 4859684 SBPOFWQMIIZCRF-XFXZXTDPSA-N 298.323 2.415 10 40 CECB Cc1c[n+](C)c(/C=C/c2ccc(N(C)C)cc2)cn1 75402882 AKWGVXOVEJVLMS-UHFFFAOYSA-N 254.357 2.451 10 40 CECB NNS(=O)(=O)c1ccc(/N=N\c2ccccc2)cc1 100468839 RNJKCWOGTITGAH-PFONDFGASA-N 276.321 2.254 10 40 CECB N[C@H]1C[C@H]2CCCC[C@@H]2C[C@@]1(O)c1ccc(O)c(O)c1 5385391 CDYZURNKDCBCAG-NSLUBLRVSA-N 277.364 2.213 10 40 CECB Cc1c(-c2ccn(-c3ccc(N)cc3)n2)cnn1C 12394775 PIVLQYKFEPXYNR-UHFFFAOYSA-N 253.309 2.163 10 40 CECB Cc1cc(C=O)c(C)n1-c1cc(C(=O)O)ccc1C(=O)O 223716933 UFBDVVCLYRYELT-UHFFFAOYSA-N 287.271 2.303 10 40 CECB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](O)CN=[N+]=[N-] 72207824 GNVJJIMFMQNOJB-VHSXEESVSA-N 270.333 2.447 10 40 CECB CC[C@@H](NC[C@](C)(O)c1cnn(C)c1)c1ccccc1O 155993911 CZWSEWSOBLHEIY-ZBFHGGJFSA-N 289.379 2.074 10 40 CECB Cn1c(/C=C/c2cccnc2)nc2ccccc2c1=O 4817313 FTLLZIWNKCSKDE-CMDGGOBGSA-N 263.300 2.499 10 40 CECB O=C1OC(c2ccccc2)=N/C1=C1/CCCCCN1 100019978 PSSPIUBGKZPKGC-SEYXRHQNSA-N 256.305 2.365 10 40 CECB COCCCN1C(=O)/C(=C\c2ccccn2)SC1=S 8642454 BGPYFQFAECFEOW-PKNBQFBNSA-N 294.401 2.319 10 40 CECB Cc1cccc2c1N[C@@H](c1ccc(O)c(O)c1)NC2=O 48304159 QVHXCUPFYWHVLF-CQSZACIVSA-N 270.288 2.260 10 40 CECB CN1C(=O)N=C(O)/C(=C/C=C/c2ccccc2)C1=O 13553066 KTUXDZXCUWESKB-PAUBHIBZSA-N 256.261 2.175 10 40 CECB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](O)CN=[N+]=[N-] 72207818 CYFDWIGNSXJDLH-IUCAKERBSA-N 256.306 2.057 10 40 CECB COc1ccc(CNCCc2cccc(C(N)=O)c2)cc1C 78553625 JSEUMSHQENDJKJ-UHFFFAOYSA-N 298.386 2.435 10 40 CECB CCOC(CN(C)Cc1ccccc1O)OCC 124946006 XBXQSPMMYFRAOZ-UHFFFAOYSA-N 253.342 2.223 10 40 CECB CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1ccc(C)cc1C 8397832 FSOGLFMMOPZSSF-GTVMRRANSA-N 289.364 2.217 10 40 CECB CCCCN(C)/N=N\c1n[nH]cc1C(=O)OCC 104096323 CWYXGQNFQVKDRZ-PFONDFGASA-N 253.306 2.317 10 40 CECB Cc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21 22204632 QQKLDEHQBYNOBZ-ZDMBXUJBSA-N 274.276 2.442 10 40 CECB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1O 13550604 STSAAAUFRTUEEI-UXBLZVDNSA-N 281.358 2.232 10 40 CECB CCN1C(=O)/C(=C/c2cnn(CC)c2)SC1=S 13959942 KKPRKUAVHKFPLL-UITAMQMPSA-N 267.379 2.124 10 40 CECB CC1=NNC(=O)/C1=C\c1c(C)nn(Cc2ccccc2)c1C 408996561 IUAOZBGUNTXTIL-SXGWCWSVSA-N 294.358 2.437 10 40 CECB CC(C)(C)OC(=O)N[C@H](C(=O)O)C1=CC(=S)CC=C1 98213333 HSPBXLGFYPFXCO-JTQLQIEISA-N 283.349 2.221 10 40 CECB O=[N+]([O-])c1ccc([C@@H]2NCCc3cc(O)c(O)cc32)cc1 19691357 BVVKBFZPUJYGAY-HNNXBMFYSA-N 286.287 2.241 10 40 CECB Cc1ccccc1/C=C1/SC(=S)N(CC(=O)O)C1=O 3213193 GAQYWLWYKXKTOP-UXBLZVDNSA-N 293.369 2.281 10 40 CECB CCc1cccc2c(/C=C3/C(=O)NC(=O)N=C3O)c[nH]c12 8766459 XIKZCJFTSPVFCA-UHFFFAOYSA-N 283.287 2.320 10 40 CECB Cc1cc(CNC(=O)N(C)Cc2ccccc2O)on1 64230397 JPOUIHKSHQBSDS-UHFFFAOYSA-N 275.308 2.030 10 40 CECB CCc1ccc(NC2=NC(=O)/C(=C\C(=O)OC)S2)cc1 4551456 PRVAJXANAPWTEG-DHZHZOJOSA-N 290.344 2.347 10 40 CECB Cc1ccc(NC(=O)C[C@@H]2SC(=S)NC2=O)cc1C 34926803 QLOAVEASPGMSMO-JTQLQIEISA-N 294.401 2.149 10 40 CECB CCCCN(C)S(=O)(=O)Nc1ccc(O)c(Cl)c1 95990428 UGTCRFUYJTUMAE-UHFFFAOYSA-N 292.788 2.434 10 40 CECB O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2ccccc12 38981175 FBWPKKNAKFWYOJ-UHFFFAOYSA-N 286.239 2.282 10 40 CECB C[C@H]1CCC[C@@H](NC(=O)COc2ccc(N)cc2)C1 20155156 BGEKZLLVWQIYRS-WCQYABFASA-N 262.353 2.343 10 40 CECB Oc1cc2c(cc1CN1CCO[C@@H]3CCCC[C@@H]31)OCO2 54545484 XKWKAHISKDRAAC-GXTWGEPZSA-N 291.347 2.264 10 40 CECB COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1O 1651145 UKKCCABWWBKWOE-UHFFFAOYSA-N 289.287 2.202 10 40 CECB CCOc1ccc(/C=C2/SC(N)=NC2=O)cc1OC 6601822 MFNHIKMNSHQWRD-YRNVUSSQSA-N 278.333 2.023 10 40 CECB CCN(Cc1ccccn1)C(=O)c1ccc(C)c(O)c1O 182577979 RCYZNMCTMMVZRH-UHFFFAOYSA-N 286.331 2.464 10 40 CECB CCN(C(=O)c1c[nH]nc1[C@H]1CCNC1)c1ccccc1 72343614 YKGUKHQDHCHZKK-LBPRGKRZSA-N 284.363 2.153 10 40 CECB Oc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@@H]3NCC2 31949873 NJHVXDOSDODUHB-LBPRGKRZSA-N 269.300 2.213 10 40 CECB O=C1CC(=O)N(Cc2ccccc2)N1Cc1ccccc1 34018441 JOOQMPBHEPOORK-UHFFFAOYSA-N 280.327 2.363 10 40 CECB COc1ccnc(NCc2ccc(N(C)C)c(F)c2)n1 58545565 HUHMMEGPTDTPSD-UHFFFAOYSA-N 276.315 2.302 10 40 CECB Nc1ccc(OCc2n[nH]c(-c3ccc(N)cc3)n2)cc1 62719592 RTIBAQHEOXLFEO-UHFFFAOYSA-N 281.319 2.215 10 40 CECB O=C(O)[C@H]1Cc2ccccc2CN1Cc1ccccc1O 86760118 HZDHFSFCOFNRRJ-OAHLLOKOSA-N 283.327 2.404 10 40 CECB Cc1ccccc1N/C=C1\SC(=S)NC1=O 584906295 WLAADCJOYYPQIV-TWGQIWQCSA-N 250.348 2.396 10 40 CECB C[C@@H]1CN2CCC[C@@H]2CN1Cc1ccc(N(C)C)cc1 72324624 XWYITMWUDZKIDE-RHSMWYFYSA-N 273.424 2.421 10 40 CECB COc1cc(N2CCN[C@@H]3CCC[C@H]32)cc(OC)c1OC 218847850 VCDCMXDZYLMONE-CHWSQXEVSA-N 292.379 2.043 10 40 CECB O=C1N=C(N2CCCC2)S/C1=C/c1ccc(O)cc1 274787 MXGUCOMZFKFPPN-FMIVXFBMSA-N 274.345 2.458 10 40 CECB Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccccc1 67286 CKZJWURHZVLUET-NTEUORMPSA-N 297.383 2.439 10 40 CECB Cc1nn(-c2ccc(N)cc2)c(=O)c2ccccc12 4245435 VXGAPTMXQBUJMC-UHFFFAOYSA-N 251.289 2.276 10 40 CECB O=S(=O)(Nc1ccc(O)cc1)c1cccc(F)c1 3338257 AVDYBCFXQNMJKL-UHFFFAOYSA-N 267.281 2.332 10 40 CECB COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 359740 ARYACVYIMURALZ-RVDMUPIBSA-N 294.310 2.157 10 40 CECB COc1ccc(/C=C2/SC(=S)N(C(C)=O)C2=O)cc1 16139023 AZVNNJWMSREBKF-YRNVUSSQSA-N 293.369 2.443 10 40 CECB O=C(Cc1nnc2ccccc2n1)Nc1ccccc1 16489341 RIOOHWQOIMMGGV-UHFFFAOYSA-N 264.288 2.206 10 40 CECB CC(=O)N1N=C(c2ccncc2)C[C@H]1c1ccccc1O 4384649 ZVMKQMLHAWOEAX-HNNXBMFYSA-N 281.315 2.485 10 40 CECB Cc1[nH]ncc1CNCc1ccc2c(c1)CCCN2C 50266782 LRAWHFJQPLUKKE-UHFFFAOYSA-N 270.380 2.390 10 40 CECB Nc1ccc(NC(=O)COc2cccc(F)c2)cc1 22165430 AMQAJUPEJYFLBF-UHFFFAOYSA-N 260.268 2.425 10 40 CECB COc1ccc2c(c1)CCCN2Cc1nnc(C)n1C 47540896 QXEOZVTVSUAYHL-UHFFFAOYSA-N 272.352 2.085 10 40 CECB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1C1CCCC1 1096863 VFIUSXKRPHFUAM-MDWZMJQESA-N 273.336 2.400 10 40 CECB Cc1ccc(/C=C2\SC(=S)NC2=O)cc1[N+](=O)[O-] 14129081 UFBUMHCTBSUKDL-UITAMQMPSA-N 280.330 2.392 10 40 CECB Oc1ccc(CN2CCN(Cc3ccccc3)CC2)c(O)c1 43151377 QRNFTXLVWOXIBP-UHFFFAOYSA-N 298.386 2.416 10 40 CECB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccn1 96012622 NYZWPPXTXWPRLZ-JTQLQIEISA-N 287.319 2.246 10 40 CECB O=C1NC(=S)S/C1=C/c1ccc(N2CCCC2)o1 408847510 NKKIPNPGCNLQEV-VQHVLOKHSA-N 280.374 2.369 10 40 CECB [N-]=[N+]=NCC(=O)c1ccc(O)c2nc(O)sc12 1776010886 WAIPKZDWTPJYJR-UHFFFAOYSA-N 250.239 2.201 10 40 CECB CN(C)c1cc(CNCc2ccc3c(c2)CCO3)ccn1 54174598 DCNUBKBPJQRTOO-UHFFFAOYSA-N 283.375 2.372 10 40 CECB CC1=NNC(=O)/C1=C\c1c(C)nn(-c2ccccc2)c1C 108288764 NJQDEWQPCWFZER-DHDCSXOGSA-N 280.331 2.378 10 40 CECB O=C1N=C2SC=CN2C(=O)/C1=C\c1ccccc1 13014887 NHCHNQCBIORNAZ-NTMALXAHSA-N 256.286 2.013 10 40 CECB CC(=O)O[C@@H]1C=CC[C@H]2C(=O)c3ccccc3C(=O)[C@@H]12 255189317 PDHNFPLKSCJFCX-MGPQQGTHSA-N 270.284 2.190 10 40 CECB CCCCOC(=O)c1n[nH]c(C)c1/N=N/N(C)C 18120931 INJJVQTUPKEDHI-CCEZHUSRSA-N 253.306 2.235 10 40 CECB CC1(C)[C@@]2(C(=O)NC3CCCCC3)CC[C@@]1(C)C(=O)C2=O 100834605 RVQYQUPCDLQJSY-IRXDYDNUSA-N 291.391 2.400 10 40 CECB CN1C(=O)[C@@H](/N=N/c2ccc([N+](=O)[O-])cc2)SC1=S 100373060 HHLAJTWCKSBJFA-BVKVCPRXSA-N 296.333 2.495 10 40 CECB in-man Cc1cc(=O)n2nc(N)c(/N=N/c3ccccc3F)c2[nH]1 102522015 YFAIUTPYKWNXCU-ISLYRVAYSA-N 286.270 2.468 10 40 CECB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(F)cc1 13409638 OANYBHUUBYIOSA-UVTDQMKNSA-N 282.274 2.287 10 40 CECB Cc1ccccc1-n1c(C)cc(C(=O)OCC(N)=O)c1C 4270403 FAWZRPDULXDTEL-UHFFFAOYSA-N 286.331 2.045 10 40 CECB COC(=O)c1cccc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21 5611465 MVRAHNKBSITDJL-DVYJOKAKSA-N 273.288 2.012 10 40 CECB Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N=C1O 3156110 OJVKOSRLQLPJMF-UHFFFAOYSA-N 269.260 2.066 10 40 CECB Cc1c(NCc2ccc(O)cc2O)cnn1CCF 256049516 AHDXOAHBUWTKHI-UHFFFAOYSA-N 265.288 2.184 10 40 CECB O=C1N=C(N2CCCC2)S/C1=C\c1ccccn1 5590417 ZJELNYXDZPZQGG-LUAWRHEFSA-N 259.334 2.148 10 40 CECB CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(CN)cc2)C1 26896411 QQSIMCRQAPSTTN-ZDUSSCGKSA-N 291.395 2.249 10 40 CECB CC12CN3CC(C)(CN(C1)C3c1ccc(O)cc1O)C2 19322372 TXTZCDXNELKGRQ-UHFFFAOYSA-N 274.364 2.144 10 40 CECB biogenic Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12 14761282 YPBXGIBBOZOVPM-UHFFFAOYSA-N 274.228 2.077 10 40 CECB biogenic,in-vitro CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\NO 13371008 OXNOKBVBXJHKKB-POHAHGRESA-N 296.124 2.034 10 40 CECB CCN(C(=O)c1c[nH]nc1[C@@H]1CCNC1)c1ccccc1 72343613 YKGUKHQDHCHZKK-GFCCVEGCSA-N 284.363 2.153 10 40 CECB CC[C@](O)(CN=[N+]=[N-])[C@H](C)NC(=O)OC(C)(C)C 72207852 SFRLQADRBZVOIS-KWQFWETISA-N 258.322 2.351 10 40 CECB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374588 PGJVLHLSUAIKLM-HWPCKVLBSA-N 296.373 2.079 10 40 CECB O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)c(O)cc21 14728363 ZIKILYZOICUSQT-AWEZNQCLSA-N 288.255 2.216 10 40 CECB biogenic O=C1Nc2ccccc2[C@@]12CCN[C@H]2c1ccc(O)c(O)c1 62001422 GYQMBGLYRVEOLL-DOTOQJQBSA-N 296.326 2.022 10 40 CECB biogenic CN(C)c1ccc(CNC(=O)NOCC(F)(F)F)cc1 97016319 ZZBBOQRHWKGZAX-UHFFFAOYSA-N 291.273 2.046 10 40 CECB O=C1c2ccccc2C(=O)C12[C@H](c1ccccc1)[C@@H]2[N+](=O)[O-] 5604268 CEODTYJEKGBWSD-KGLIPLIRSA-N 293.278 2.495 10 40 CECB C[n+]1c(/C=C2\C=CC=CN2CCO)sc2ccccc21 3639805 LJXKUMLQMMBFLH-UHFFFAOYSA-N 285.392 2.445 10 40 CECB COC(=O)CCN1C(=O)/C(=C/c2ccco2)SC1=S 1091713 CWWXHERCGXEXEN-CLFYSBASSA-N 297.357 2.044 10 40 CECB COc1ccc(N2CCC(NC(=O)[C@H]3C[C@@H]3C)CC2)cc1 65488151 JWKZPHMORIMDDJ-LRDDRELGSA-N 288.391 2.436 10 40 CECB CNC(=O)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 4054615 PTAPYJUDCKTRLP-UHFFFAOYSA-N 274.295 2.162 10 40 CECB CCN(c1ccc(OC)cc1OC)[C@@H](C)C(=O)O 225000159 PLSRMPKHVIASCY-VIFPVBQESA-N 253.298 2.003 10 40 CECB CC1=NC(=S)N(N)C(=O)[C@@H]1N=Nc1ccc(Cl)cc1 245240576 QGAKLEAAOGRIQA-SECBINFHSA-N 295.755 2.254 10 40 CECB O=C1c2ccccc2C(=O)c2c3c(cc([N+](=O)[O-])c21)OCO3 5760736 MKKHDGULNVOKSE-UHFFFAOYSA-N 297.222 2.099 10 40 CECB Cc1cccc(/C=C2/SC(N3CCOCC3)=NC2=O)c1 573428 YTZWRUMUTKKBMT-JLHYYAGUSA-N 288.372 2.298 10 40 CECB CCN1C(=O)/C(=C\NC2CCCC2)SC1=S 5791568 PAZHTAXLIHUEHR-VQHVLOKHSA-N 256.396 2.240 10 40 CECB CCOc1ccc(N(C)CC(=O)Nc2nncs2)cc1 72292482 OEXJTPBMWDKWOK-UHFFFAOYSA-N 292.364 2.012 10 40 CECB Cc1ccc(C)c(/N=N\c2c(N)nc(N)nc2O)c1 104125401 SCKBPEYCHYMIKO-ZCXUNETKSA-N 258.285 2.379 10 40 CECB CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)C=[N+]=[N-] 309778561 DCLLUKYDQHKTCV-CYBMUJFWSA-N 289.335 2.197 10 40 CECB Cc1nc(CNC(=O)c2ccc(C)c(O)c2O)c(C)s1 96004025 FJBCECVMMYSPFV-UHFFFAOYSA-N 292.360 2.410 10 40 CECB O=C(O)c1nc(/N=N/c2ccccc2)[nH]c1C(=O)O 4430298 FNLIQOLPTIMLOZ-CCEZHUSRSA-N 260.209 2.222 10 40 CECB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](O)CN=[N+]=[N-] 72207823 GNVJJIMFMQNOJB-NXEZZACHSA-N 270.333 2.447 10 40 CECB CC(=O)N1c2cc(/N=N\N(C)C)ccc2NC(=O)C[C@@H]1C 104316230 XCTVTCKRJJTLHD-AIJOWTBBSA-N 289.339 2.331 10 40 CECB CC1=NC(=S)N(N)C(=O)[C@H]1/N=N\c1ccc(Cl)cc1 68602340 QGAKLEAAOGRIQA-PCWSXBEYSA-N 295.755 2.254 10 40 CECB NCc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 11757255 HNEZRBVEGHEGSL-UHFFFAOYSA-N 281.403 2.468 10 40 CECB COCC1=NNC(=O)/C1=C/Nc1ccc(C(F)(F)F)cc1 100374992 HFBOPQWIJYQLAN-UXBLZVDNSA-N 299.252 2.133 10 40 CECB CC1=NNC(=O)[C@H]1/N=N/c1cc(-c2ccccc2)n[nH]1 103609029 OGYFPVGLDLNTJC-HNAMICAMSA-N 268.280 2.035 10 40 CECB Cc1cnn(CCF)c1NCc1ccc(O)cc1O 256050313 DPGKFEGZCNSQCT-UHFFFAOYSA-N 265.288 2.184 10 40 CECB O=C1NC(=S)S/C1=C/c1coc2ccccc2c1=O 6243707 VOQKYYMMDXMDIG-BJMVGYQFSA-N 289.337 2.282 10 40 CECB O=C(Cc1ccccc1)c1cc(O)c(O)c([N+](=O)[O-])c1 8750 MRFOLGFFTUGAEB-UHFFFAOYSA-N 273.244 2.431 10 40 CECB in-man CN(C)c1ccc(CNCCCn2ccnc2)cc1 2510441 OSEDJPOHDZBVRI-UHFFFAOYSA-N 258.369 2.129 10 40 CECB Cc1ccc(N2NC(=O)/C(=C/c3ccco3)C2=O)cc1C 4460746 ZIAKVJNCMCSJLI-ZROIWOOFSA-N 282.299 2.358 10 40 CECB Cc1ccc([N+](=O)[O-])c2c1N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21 22204640 MDIZWWWSVVGOAJ-ZDMBXUJBSA-N 274.276 2.442 10 40 CECB CN1C(=O)[C@H](/N=N\c2ccc([N+](=O)[O-])cc2)SC1=S 100522667 HHLAJTWCKSBJFA-RWKJSZNZSA-N 296.333 2.495 10 40 CECB in-man Cc1cc(C)cc(/N=N\c2c(N)nc(N)nc2O)c1 17994726 CQTURGICWVXBHT-ZCXUNETKSA-N 258.285 2.379 10 40 CECB Cc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 5392713 XBGYBCYHINUOAA-UHFFFAOYSA-N 289.316 2.332 10 40 CECB CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(N)cc2)C1 26896396 RGAOLFMYUHHOIN-GFCCVEGCSA-N 277.368 2.372 10 40 CECB O=C(NCc1ccc(N2CC=CC2)cc1)NCC(F)(F)F 101225448 YJIXGDMRDNGKCY-UHFFFAOYSA-N 299.296 2.424 10 40 CECB CCCCN(C)/N=N\c1c(C(N)=O)n[nH]c1C(C)C 104119248 WRQRQDVUQXVVMO-MSUUIHNZSA-N 266.349 2.363 10 40 CECB CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 4245165 QLBLLPHHKLJIQF-UHIISALHSA-N 272.304 2.183 10 40 CECB OCCNCCNc1c2ccccc2nc2ccccc12 4428560 LIJGPRIUWWWLJZ-UHFFFAOYSA-N 281.359 2.382 10 40 CECB Oc1c(Br)cccc1CNC[C@@H]1CCCO1 42411724 PHRZHHBAKQTFGT-JTQLQIEISA-N 286.169 2.423 10 40 CECB CC(C)(C)c1cc(O)c(O)c(CN2CCOCC2)c1 23623699 MUHOBORMCCTQOM-UHFFFAOYSA-N 265.353 2.228 10 40 CECB CN1C(=O)/C(=C/c2ccc(Cl)s2)C(O)=NC1=S 4525939 FQJNSPDZSOQOJQ-GQCTYLIASA-N 286.765 2.498 10 40 CECB COc1ccc(N2CCN[C@H]3CCC[C@H]32)c(OC)c1 218845118 HLBIQSMTSOTBOY-QWHCGFSZSA-N 262.353 2.035 10 40 CECB CN(C)c1ccc(CNc2cnn(C)c(=O)c2Cl)cc1 26082319 DZQNFNCJMSMAHZ-UHFFFAOYSA-N 292.770 2.112 10 40 CECB Cn1cc(/C=C2/SC(NC3CCCCC3)=NC2=O)cn1 103304230 HCTBINJCSAUXPH-KPKJPENVSA-N 290.392 2.313 10 40 CECB Nc1ccc(Cc2nnc(Cc3ccc(N)cc3)o2)cc1 73634494 JKFLGEBMZUBOJP-UHFFFAOYSA-N 280.331 2.416 10 40 CECB COc1ccc(N2CCN[C@H]3CCC[C@@H]32)c(OC)c1 225716771 HLBIQSMTSOTBOY-STQMWFEESA-N 262.353 2.035 10 40 CECB COc1cccc(/N=N/c2c(=O)[nH]n3c(=O)cc(C)[nH]c23)c1 8671153 ZZCNPODJTKJXFC-WUKNDPDISA-N 299.290 2.048 10 40 CECB CCCCN(C)/N=N/c1n[nH]cc1C(=O)OCC 18183045 CWYXGQNFQVKDRZ-CCEZHUSRSA-N 253.306 2.317 10 40 CECB O=C1NN=C/C1=C\Nc1ccccc1C(F)(F)F 100405981 WHCMTDYZOQGGHC-FNORWQNLSA-N 255.199 2.117 10 40 CECB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 4478795 OGGYHNILKPWNML-CYXIBPNKSA-N 297.357 2.344 10 40 CECB COC(=O)CNC(=O)c1sccc1-n1c(C)ccc1C 48693906 HCGLNYAAABEMJA-UHFFFAOYSA-N 292.360 2.058 10 40 CECB CN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2443661 FNVAWWLZBCWYKN-TWGQIWQCSA-N 275.358 2.394 10 40 CECB CCN1C(=O)/C(=C\NCc2ccco2)SC1=S 5791579 RUEKJRMQKBJECH-VQHVLOKHSA-N 268.363 2.091 10 40 CECB Cc1cccc(NC(=O)C[C@H]2SC(=S)NC2=O)c1C 34926796 DJADJJRTTCOQPF-SNVBAGLBSA-N 294.401 2.149 10 40 CECB Cc1ccc(C2(CO)C(=O)c3ccccc3C2=O)cc1 4358730 LPUYUCZNRJESFQ-UHFFFAOYSA-N 266.296 2.304 10 40 CECB O=C(O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S 967104 XBIRTKJQEPDMEI-UITAMQMPSA-N 297.332 2.112 10 40 CECB Oc1cc2c(cc1O)CN1CCc3cc(O)c(O)cc3[C@H]1C2 31938983 KTXIKPCVGWAEMA-CYBMUJFWSA-N 299.326 2.165 10 40 CECB O=C1c2ccccc2C(=O)c2c3c(cc(O)c21)NCCN3 6345088 PRPUNJKDVIUEOF-UHFFFAOYSA-N 280.283 2.005 10 40 CECB O=C(C[C@H]1CCCO1)NCc1ccc(N2CCCC2)cc1 44942964 RCZGKNOYJQEGOT-MRXNPFEDSA-N 288.391 2.472 10 40 CECB CON(C)C(=O)c1ccc(Oc2ccc(N)cn2)cc1 685937570 KNWRGEIINJIKGF-UHFFFAOYSA-N 273.292 2.090 10 40 CECB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4245132 MAHHEUJIITYGOD-JTNHKYCSSA-N 257.289 2.428 10 40 CECB CN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 4748425 KUQCXSFPPMSPJA-DHZHZOJOSA-N 262.334 2.419 10 40 CECB Cc1nc(-c2ccccc2)nc2sc(C(N)=O)c(O)c12 13686158 KLJGZXDDTPRTNF-UHFFFAOYSA-N 285.328 2.471 10 40 CECB C[C@@H](O)CN(Cc1c(O)ccc2ccccc12)C[C@@H](C)O 1679458 GJVXIIDAOYGDNX-CHWSQXEVSA-N 289.375 2.109 10 40 CECB CN(C)c1ccc(CNC(=O)C2=CCCCO2)cc1F 78899879 MFJGHROSONTXRF-UHFFFAOYSA-N 278.327 2.202 10 40 CECB COc1cc(C=O)cc(CN2CCC[C@H](C)C2)c1O 216834883 XQSANAFMVGSGBP-NSHDSACASA-N 263.337 2.445 10 40 CECB CC1(C)[C@H]2CC[C@]1(C(=O)Nc1ccccc1F)C(=O)C2=O 4727490 HILYWRKYDBKMPL-XXFAHNHDSA-N 289.306 2.339 10 40 CECB COC(=O)Cc1ccc(-c2csc(C)n2)n1C 44676270 YCCIGKWUYQYING-UHFFFAOYSA-N 250.323 2.173 10 40 CECB CC(C)(C)OC(=O)NCCNc1ccc(N)cc1 96529973 VHRRKVBBGILTFC-UHFFFAOYSA-N 251.330 2.205 10 40 CECB Cc1[nH]nc(-c2cccnc2)c1/N=N/N1CCOCC1 1717986 QEBPIWMCHIBUSB-ISLYRVAYSA-N 272.312 2.111 10 40 CECB Cc1ccc(C)n1-c1ccc(CNS(C)(=O)=O)cc1 48961436 SZTGBXSHRJUONS-UHFFFAOYSA-N 278.377 2.143 10 40 CECB COc1ccc(N2CCN(c3ccccn3)CC2)cc1 5688257 ZXEJWEXBLLIGTE-UHFFFAOYSA-N 269.348 2.417 10 40 CECB Oc1nc(O)c(/N=N/c2ccc(F)cc2F)c(O)n1 5344229 QUMIURNALXDRRX-FOCLMDBBSA-N 268.179 2.287 10 40 CECB COc1ccc(N2CCN(CCc3ccncc3)CC2)cc1 6476233 BEZXRDIQDCEGBB-UHFFFAOYSA-N 297.402 2.455 10 40 CECB COc1ccccc1C(=O)C(=O)c1ccccc1O 95115810 DMYOXNKYTWMPJG-UHFFFAOYSA-N 256.257 2.466 10 40 CECB CS(=O)(=O)c1ccc(Oc2ccc(N)cc2)cc1 37369477 YLPRHFLWIYEAGT-UHFFFAOYSA-N 263.318 2.465 10 40 CECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccccc1 341556 ZSWFJWXHZHNSHE-KAMYIIQDSA-N 292.294 2.353 10 40 CECB CSc1nnc2c(n1)c(C)nn2-c1ccccc1 1013225 VKOQVCIIBKHKSA-UHFFFAOYSA-N 257.322 2.241 10 40 CECB biogenic CCN1C(=O)S[C@H](Nc2ccccc2OC)C1=O 12113052 DUMWGQTXNGOCRQ-JTQLQIEISA-N 266.322 2.149 10 40 CECB O=C(O)CSc1nc(-c2ccc(O)c(O)c2)cs1 1554502578 NATYZIFQYIKDSF-UHFFFAOYSA-N 283.330 2.398 10 40 CECB O=C1NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1 368308 RQXYHQUNKBQPKO-GXDHUFHOSA-N 282.274 2.287 10 40 CECB O=C1c2ccc([N+](=O)[O-])cc2C(=O)c2c1cccc2[N+](=O)[O-] 4091248 FAVDZWIRBSMLOV-UHFFFAOYSA-N 298.210 2.278 10 40 CECB CN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S 4523660 IAJZJHABLIYZOZ-RMKNXTFCSA-N 279.342 2.216 10 40 CECB COc1cc([N+](=O)[O-])c(N2CCCC2)c([N+](=O)[O-])c1 45886690 OKKZYQXEKLJFCH-UHFFFAOYSA-N 267.241 2.112 10 40 CECB CCCCN(C)/N=N\c1c(C(=O)OC)n[nH]c1C 104119197 QPJJENPWBARMJN-PFONDFGASA-N 253.306 2.235 10 40 CECB CC[C@@H](C)NC(=O)N1CCN(c2ccc(OC)cc2)CC1 39971679 IANWQFWNWMINAW-CYBMUJFWSA-N 291.395 2.325 10 40 CECB CN1CCN(c2ccc([C@@H](N)C(F)(F)F)cc2)CC1 72195702 JTRPOOADOFIEFY-GFCCVEGCSA-N 273.302 2.001 10 40 CECB Nc1ccc(CCN2CCN(c3ccccn3)CC2)cc1 20072953 NWOCTNJPDJBCDP-UHFFFAOYSA-N 282.391 2.029 10 40 CECB COc1ccc(N2C(=O)CSC2=S)c(OC)c1 16789995 UWGYRFJCXMQDBT-UHFFFAOYSA-N 269.347 2.069 10 40 CECB Cc1n[nH]c2nc(-c3ccc(O)c(O)c3)cc(C(=O)O)c12 49543272 ZSNXLATWYCISQA-UHFFFAOYSA-N 285.259 2.043 10 40 CECB biogenic O=C1COC(c2ccccc2O)=NN1Cc1ccccc1 104201205 YAJFDDAFXDWBGE-UHFFFAOYSA-N 282.299 2.113 10 40 CECB O=C(/C=C/c1ccc(O)cc1)NCCc1ccc(O)c(O)c1 15147518 KZUJJPCTENPKOE-XBXARRHUSA-N 299.326 2.176 10 40 CECB C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(N)cc2)C1 20155128 GTACLQJOSMWOEY-RYUDHWBXSA-N 262.353 2.152 10 40 CECB COc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O 58635 XQVARADQQSXJMO-SDNWHVSQSA-N 294.310 2.157 10 40 CECB CCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 55529863 XBROONZYIPJOLF-TXEJJXNPSA-N 294.370 2.466 10 40 CECB Cc1cc(O)c(CN(C)Cc2cnn(C)c2)cc1C 29539855 VSBOXNGZTSQFKO-UHFFFAOYSA-N 259.353 2.375 10 40 CECB CN1C(=O)/C(=C/Nc2cccc(C(=O)O)c2)SC1=S 618254466 BPRZJEXGJBFDMJ-TWGQIWQCSA-N 294.357 2.128 10 40 CECB CC(=C/c1ccccc1)/C=C1\SC(NCCO)=NC1=O 256055304 BFKWRBDWPUBHRO-VYXXYXFFSA-N 288.372 2.185 10 40 CECB Cc1nc2sccn2c1/C=C1\SC(=S)NC1=O 12627613 VNPKUEFZOIBYNJ-DAXSKMNVSA-N 281.387 2.193 10 40 CECB Cc1ccc2c(c1O)O[C@H](c1ccc(O)c(O)c1)C2=O 64218986 NOBRAYWROJONIX-CQSZACIVSA-N 272.256 2.428 10 40 CECB COc1cccc2c1C(=O)c1c(OC)cccc1C2=O 4748495 QCSZITHNACKGTF-UHFFFAOYSA-N 268.268 2.479 10 40 CECB O=C1N=C(O)/C(=C/NC2CC2)C(=O)N1C1CCCCCC1 102561608 OIEWSLOJJXNIOG-XFXZXTDPSA-N 291.351 2.264 10 40 CECB NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 19472296 ZPAJVKGSUPURKS-VIFPVBQESA-N 260.259 2.370 10 40 CECB in-vitro O=C1NC(=S)N=C(O)/C1=C\c1cccc(OC(F)F)c1 27027487 PBSABKDZELOSMQ-UHFFFAOYSA-N 298.270 2.043 10 40 CECB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccco1 59566427 MXXNYXYVBSBUQL-WQLSENKSSA-N 275.304 2.361 10 40 CECB COc1ccccc1OCC(=O)Nc1ccc(N)cc1 19736215 GXMRZQKBRXHCLH-UHFFFAOYSA-N 272.304 2.295 10 40 CECB COc1cccc(OC(=O)Cc2ccc(N)cc2)c1 225395992 UTAXWPKWRCBZDF-UHFFFAOYSA-N 257.289 2.426 10 40 CECB Cc1cc(/C=C2\SC(=S)NC2=O)cc(C)c1O 1579723 NPYSSQZXRXNSQT-UITAMQMPSA-N 265.359 2.498 10 40 CECB Nc1ccc(CCn2cc(Br)cn2)cc1 38054123 KVGPLPZKUQWGTC-UHFFFAOYSA-N 266.142 2.471 10 40 CECB in-vitro CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](O)CN=[N+]=[N-])C1 72207834 OSUBWAXWIWABSD-ZJUUUORDSA-N 270.333 2.305 10 40 CECB CCc1ccc(O)c(C2(O)C(=O)c3ccccc3C2=O)c1 101720 AZDHODVNGUVCFU-UHFFFAOYSA-N 282.295 2.221 10 40 CECB Nc1ccc(CC(=O)NCCc2ccccc2)cc1 20185675 HGPWZKQCUVTDQD-UHFFFAOYSA-N 254.333 2.170 10 40 CECB CC(=O)NC1=NC(=O)/C(=C/c2cccc(C)c2)S1 408752679 JGBPBVMFRFUNAH-XFFZJAGNSA-N 260.318 2.101 10 40 CECB CN(Cc1ccccc1)C[C@@H](O)c1ccc(O)c(O)c1 77272639 YENHZTNWVCNPRW-MRXNPFEDSA-N 273.332 2.263 10 40 CECB in-vitro CN(C)c1ccc(/C=C2\CSC(=S)NC2=O)cc1 121629 JJIHTWZCDRSIKT-JXMROGBWSA-N 278.402 2.284 10 40 CECB Cc1cc(O)c(CN2CCN(c3ncccn3)CC2)cc1C 23673134 MFMHACJNPBMFTN-UHFFFAOYSA-N 298.390 2.121 10 40 CECB O=C1c2ccccc2C(=O)C1(O)c1ccc2c(c1)CCCN2 5673027 LVFJAJWZLDTXSD-UHFFFAOYSA-N 293.322 2.312 10 40 CECB O=S(=O)(Nc1ccc(F)cc1)c1cccc2nonc12 17023134 RUFYGMUSMQAAGF-UHFFFAOYSA-N 293.279 2.163 10 40 CECB C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccc(N2CCOCC2)cc1 58407542 SBASYKSEBGKTDY-HEHGZKQESA-N 288.391 2.356 10 40 CECB C[C@H](Cc1ccc(O)c(O)c1)Nc1ncccc1[N+](=O)[O-] 96006332 ANICCNXNSJFMFO-SECBINFHSA-N 289.291 2.444 10 40 CECB Cc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)s1 9376037 GQVYAJWAMQZXCO-FLIBITNWSA-N 294.401 2.359 10 40 CECB CCN(CC)c1c([N+](=O)[O-])cc(OC)cc1[N+](=O)[O-] 45886679 RSTSCKXJGNOFRK-UHFFFAOYSA-N 269.257 2.358 10 40 CECB CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1ccccc1Cl 100517505 GKOXPOJLFCAQSH-SOLLPLKKSA-N 295.755 2.254 10 40 CECB COC[C@@H](O)Cn1ccnc1/N=N\c1ccccc1 102911468 PZKUHGODJAIVES-SUQMRRJOSA-N 260.297 2.306 10 40 CECB Oc1ccccc1CNCc1ccnn1C(F)F 256053550 RWXNHFWHGRELLY-UHFFFAOYSA-N 253.252 2.274 10 40 CECB Cc1cc(NS(=O)(=O)CCC2CC2)ccc1O 96494493 GIMKMBZRKUAVSZ-UHFFFAOYSA-N 255.339 2.242 10 40 CECB CC(C)c1nc2c(n1O)C(=O)c1ccccc1C2=O 78550177 IDBCYOWDOPRTOT-UHFFFAOYSA-N 256.261 2.019 10 40 CECB CCN(CC)c1ccc([C@H]2CC(=O)Nc3ncnn32)cc1 6205392 LRZGQHYDQQUAEW-CYBMUJFWSA-N 285.351 2.056 10 40 CECB Cc1ccc(/N=N/N2CCOCC2)c([N+](=O)[O-])c1 14628759 AMTBAUIHFFQYHK-OUKQBFOZSA-N 250.258 2.234 10 40 CECB Cc1cnc(C(=O)NCc2ccc3c(c2)CCCN3C)cn1 69416244 BNHPBJUSJBJASB-UHFFFAOYSA-N 296.374 2.097 10 40 CECB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)CN=[N+]=[N-] 72207826 GNVJJIMFMQNOJB-UWVGGRQHSA-N 270.333 2.447 10 40 CECB CON(C)C(=O)c1ccccc1Oc1ccc(N)cn1 685937599 LIFVACQNKJMAJJ-UHFFFAOYSA-N 273.292 2.090 10 40 CECB O=C(NC1(Cl)C(=O)c2ccccc2C1=O)c1ccccc1 42152 YRAHNYBUTBSPHG-UHFFFAOYSA-N 299.713 2.431 10 40 CECB CC[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 32895464 XDSZVQNWDYTLDA-CYBMUJFWSA-N 276.380 2.390 10 40 CECB Nc1ncccc1C(=O)NCc1ccc(N2CCCC2)cc1 67292166 YUCPMMNJINMYTL-UHFFFAOYSA-N 296.374 2.194 10 40 CECB CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC1 25086281 YZALVRMZOQNREM-UHFFFAOYSA-N 261.369 2.304 10 40 CECB CN(C)/N=N\c1c(C(N)=O)n[nH]c1-c1ccc(Cl)cc1 104127858 DBTFWUWNNLGTHE-ZCXUNETKSA-N 292.730 2.389 10 40 CECB CC[C@@H](C(=O)O)N(C)c1ccc(OC)cc1OC 225000053 CAIYVQHVWRAKGW-JTQLQIEISA-N 253.298 2.003 10 40 CECB Cc1cc(=O)n2[nH]c(=O)c(/N=N/c3ccccc3F)c2[nH]1 4649635 UUFWBAJHWXVSPJ-WUKNDPDISA-N 287.254 2.179 10 40 CECB COc1ccc(CN[C@@H](C)c2nnc3n2CCC3)cc1C 35255276 LWJDLQHIIBRVND-LBPRGKRZSA-N 286.379 2.392 10 40 CECB CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=CC(=S)CC=C1 98213334 HSPBXLGFYPFXCO-SNVBAGLBSA-N 283.349 2.221 10 40 CECB CCN1C(=O)/C(=C2\C=CC=CN2C)SC1=S 2239746 HLIACYSTIJITSD-HJWRWDBZSA-N 252.364 2.094 10 40 CECB O=C(O)C1=C2CCCCCN2c2ccccc2S1(=O)=O 67172878 IJLFOGHCSABCGA-UHFFFAOYSA-N 293.344 2.151 10 40 CECB COc1cc(N2CCN[C@@H]3CCC[C@@H]32)cc(OC)c1OC 225717590 VCDCMXDZYLMONE-OLZOCXBDSA-N 292.379 2.043 10 40 CECB Nc1ccc(CC(=O)Nc2ccc3c(c2)OCCO3)cc1 19423242 KARUSQJSYWAZRV-UHFFFAOYSA-N 284.315 2.221 10 40 CECB COc1c(O)ccc2c1C(=O)c1c(O)cc(C)cc1C2=O 14814143 OCZOZMSHTPWVFR-UHFFFAOYSA-N 284.267 2.190 10 40 CECB biogenic Cc1cnn(C[C@H](C)NCc2ccc3c(c2)CCO3)c1 69490113 OUKZSPUELZTYBJ-ZDUSSCGKSA-N 271.364 2.305 10 40 CECB CC(=O)Nc1cccc2c1C(=O)c1cccc(N)c1C2=O 4522779 FXYMBQQAXFHRGC-UHFFFAOYSA-N 280.283 2.003 10 40 CECB O=C1NC(=S)S/C1=C\c1ccc(F)c(F)c1 9460249 FZMFOYLUEXQYND-YWEYNIOJSA-N 257.286 2.454 10 40 CECB CCOC(=O)N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C 100922866 FSEANWUDIMSABQ-LCYFTJDESA-N 287.319 2.348 10 40 CECB CCOCCCNC(=O)/C=C/c1ccc(N(C)C)cc1 29600804 RMINBDCXGMTWQU-DHZHZOJOSA-N 276.380 2.309 10 40 CECB Oc1ccc(CCNc2ncc(Cl)cn2)cc1O 85689422 KDNFPKOXOXGQKK-UHFFFAOYSA-N 265.700 2.196 10 40 CECB COc1ccc(N2CCN(Cc3cc(C)no3)CC2)cc1 52723196 WUJXZVBGQRQBLE-UHFFFAOYSA-N 287.363 2.314 10 40 CECB Cc1cc(C)nc(NNC(=S)Nc2ccccc2)n1 16190991 HLTIJUBRHCJKOB-UHFFFAOYSA-N 273.365 2.407 10 40 CECB CCN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2)C1=O 4677057 ZFILDIFGNWEYJR-SDNWHVSQSA-N 285.347 2.199 10 40 CECB c1csc(SCCCNCc2cc[nH]n2)n1 84044554 QQYUHDWHACWJEL-UHFFFAOYSA-N 254.384 2.138 10 40 CECB COc1ccc(N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 216766103 JNFDTHXSNGFMBV-UWVGGRQHSA-N 266.297 2.217 10 40 CECB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC[C@H]1CCCO1 100422792 SANRKBCQLCOZLP-WMJYUBJYSA-N 299.374 2.452 10 40 CECB COc1cc(Cl)c(N2CCN(C)CC2)c([N+](=O)[O-])c1 45886100 PDTUBWLJWOUOEM-UHFFFAOYSA-N 285.731 2.009 10 40 CECB C[C@@H]1CCC[C@@H](NC(=O)COc2ccc(N)cc2)C1 20155154 BGEKZLLVWQIYRS-DGCLKSJQSA-N 262.353 2.343 10 40 CECB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccn1C 69772486 OQSSWWZPWDFNMR-UHFFFAOYSA-N 271.364 2.363 10 40 CECB COc1cccc([C@H]2NC(=O)c3ccccc3N2C)c1O 9118410 FRBZGKXMRYUNBJ-HNNXBMFYSA-N 284.315 2.279 10 40 CECB Cc1ccc(/N=N\c2nc3c(O)nc(N)nc3[nH]2)cc1 104218655 MUHHRJPYXLEUDL-HNENSFHCSA-N 269.268 2.365 10 40 CECB COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1O 974728 FYJSHHXPSLMVKG-POHAHGRESA-N 281.358 2.232 10 40 CECB COC(=O)c1ccc(Cn2c(C)ccc2C=O)cc1 226032583 VAGGLRFSNNKSND-UHFFFAOYSA-N 257.289 2.444 10 40 CECB Cc1ccc2c(c1O)O[C@@H](c1ccc(O)c(O)c1)C2=O 100496590 NOBRAYWROJONIX-AWEZNQCLSA-N 272.256 2.428 10 40 CECB CC(=O)N[C@H](CS/N=N/c1ccccc1)C(=O)O 3764927 DDUFPRLGKYQAIO-WBNXYMAISA-N 267.310 2.008 10 40 CECB CN1CCc2cc(CN[C@@H]3CCCC[C@@H]3O)ccc21 52002896 IZLBRRQLSXLIPW-ZBFHGGJFSA-N 260.381 2.072 10 40 CECB CC(C)OC(=O)CCCCCN1C(=O)CSC1=S 2680251 CWNGBTGCIHBIHX-UHFFFAOYSA-N 289.422 2.359 10 40 CECB N[C@@H](CC(=O)O)c1cc(Cl)cc(Cl)c1O 44197369 BRFAIKLOYWPAPR-ZETCQYMHSA-N 250.081 2.174 10 40 CECB COCCCN1C(=O)/C(=C/c2cccnc2)SC1=S 96930822 HAFAOVIKDRBOBN-FLIBITNWSA-N 294.401 2.319 10 40 CECB O[C@@H]1Cc2ccccc2[C@H]1NCc1ccc2c(c1)CCO2 85334665 ARYPKHFKGBTWBN-SJLPKXTDSA-N 281.355 2.369 10 40 CECB Cc1ccc(C(=O)N(C)Cc2nccs2)c(O)c1O 97059610 SIOMYKAWNISIAL-UHFFFAOYSA-N 278.333 2.135 10 40 CECB COc1c(C)c(O)cc2c1C(=O)c1ccc(O)cc1C2=O 14814165 FDRWSVGPMGRFGX-UHFFFAOYSA-N 284.267 2.190 10 40 CECB biogenic,in-vitro CCNC(=S)N(Cc1ccccc1O)C[C@@H]1CCCO1 7659514 JHYDULGAHAUDHW-ZDUSSCGKSA-N 294.420 2.268 10 40 CECB CN(C)c1ccc(CNC(=O)c2ccccc2O)cc1 9322571 HSMQPTZWOJRCEF-UHFFFAOYSA-N 270.332 2.388 10 40 CECB CCOC(=O)[C@H]1Nc2c(O)cccc2[C@H]2C=CC[C@H]12 35598498 VTFJMPZCUSAADD-PUYPPJJSSA-N 259.305 2.409 10 40 CECB CN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S 83312691 BZSHHUMPYCOMJL-TWGQIWQCSA-N 279.342 2.216 10 40 CECB CC(=O)N1CCc2cc(N3CCCC3)c([N+](=O)[O-])cc21 16139059 CGFMDKHHMLPOAZ-UHFFFAOYSA-N 275.308 2.104 10 40 CECB CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)C1=O 2566332 ZMKCZZLFGGXJGD-UHFFFAOYSA-N 254.289 2.206 10 40 CECB Nc1ccc(NC(=O)CCN2CCCCCC2)cc1 22156375 MCLSVFCFXFMFCN-UHFFFAOYSA-N 261.369 2.473 10 40 CECB C[C@@H](Cc1ccco1)NC(=O)Cc1ccc(N)cc1 37021184 LPWKANNJDZUZSL-NSHDSACASA-N 258.321 2.152 10 40 CECB CCOc1ccc(/N=N/N2CCOCC2)c([N+](=O)[O-])c1 4763868 XQXYAXSQZMCOBX-BUHFOSPRSA-N 280.284 2.324 10 40 CECB O=[N+]([O-])c1cccc([C@@H]2NCCc3cc(O)c(O)cc32)c1 19691361 JQLGBBVWEKHBEC-HNNXBMFYSA-N 286.287 2.241 10 40 CECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccco3)C2=O)cc1 63167 PLGYEYUIBSSBMR-UKTHLTGXSA-N 296.282 2.254 10 40 CECB O=S(=O)(O)c1ccc(/N=N/N2CCCCC2)cc1 1829260 XXYIZCMPOQLWME-OUKQBFOZSA-N 269.326 2.418 10 40 CECB O=c1cc(/N=N\c2ccc(Cl)cc2)[nH]c(=O)[nH]1 100368447 VTVWKVYGAZNCRN-PFONDFGASA-N 250.645 2.132 10 40 CECB S=c1[nH]ncn1NCc1ccc(N2CCCC2)cc1 8418808 YODRQQUENNXFLL-UHFFFAOYSA-N 275.381 2.285 10 40 CECB O=Cc1cc(Br)c(O)c(O)c1Br 5943545 RMVZWWRDAIPUJH-UHFFFAOYSA-N 295.914 2.435 10 40 CECB O=C1Nc2ccccc2[C@]12NN=C(c1ccccc1)S2 41720 OPMUPUCYNXWWEB-OAHLLOKOSA-N 281.340 2.490 10 40 CECB Oc1cc(/C=C\c2cc(O)c(O)c(O)c2)cc(O)c1O 71619152 ZUIXFZJBOJTTET-UPHRSURJSA-N 276.244 2.091 10 40 CECB Cc1ccnc(SCC(=O)c2ccc(O)c(O)c2)n1 51331930 DKCUQPLGUOOLNL-UHFFFAOYSA-N 276.317 2.171 10 40 CECB CN(C)Cc1cc(C(=O)c2ccccc2)c(O)cc1O 1603305 UKABBGIFQJXCEB-UHFFFAOYSA-N 271.316 2.390 10 40 CECB CC(=O)NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1101141 UMGXCSCLJGNYLI-POHAHGRESA-N 296.348 2.078 10 40 CECB COC(=O)[C@H](/N=N\c1ccccc1)[C@H](O)C(F)(F)F 100388517 ACJPJWZAYJWGEC-IWOVGAIUSA-N 276.214 2.235 10 40 CECB Cc1n[nH]cc1NC(=O)NCc1ccc(N(C)C)cc1 71844010 BNAWPEFWMKWYDQ-UHFFFAOYSA-N 273.340 2.106 10 40 CECB COc1ccc(O)c(/C=C2/SC(=S)N(C)C2=O)c1 12416516 BUQVTNRDPZKVRD-UXBLZVDNSA-N 281.358 2.232 10 40 CECB O=C1c2ccccc2C(=O)[C@]23O[C@]12[C@@H]1C=C[C@H]3CC1 1865803 IHJOVZZIOCCLQD-DICSFEIXSA-N 252.269 2.169 10 40 CECB CCOC(=O)C(=Cc1ccc(N(C)C)cc1)C(=O)OCC 1625045 BEYLVANPYLXGSR-UHFFFAOYSA-N 291.347 2.262 10 40 CECB COc1ccc(O)c(CNC(=O)c2ncoc2C(C)C)c1 79349779 AJPBKYRIHIPVQK-UHFFFAOYSA-N 290.319 2.442 10 40 CECB Cc1nccn1-c1cncc(N(C)Cc2ccccc2O)n1 195576774 URLVCZGHDFDLQS-UHFFFAOYSA-N 295.346 2.313 10 40 CECB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(F)cc1 277509 WEXUBCBYNNWAMY-WQLSENKSSA-N 275.279 2.128 10 40 CECB Cc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21 22204636 QQKLDEHQBYNOBZ-KKFJDGPESA-N 274.276 2.442 10 40 CECB CCN1C(=O)C(=CC2CCCCC2)C(=O)N(CC)C1=S 6757835 JPGJPDNXCMOIDA-UHFFFAOYSA-N 294.420 2.489 10 40 CECB Cc1cc(C)nc(SCC(=O)Nc2ccc(N)cc2)n1 415309 VGYFBOKXMXUOBE-UHFFFAOYSA-N 288.376 2.406 10 40 CECB OCc1cc(O)c(O)c(Br)c1Br 2566077 GKZCMEUEEFOXIJ-UHFFFAOYSA-N 297.930 2.115 10 40 CECB biogenic,in-vitro CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)N(C)C 4477910 ALBPVHBMYNJXRS-RAXLEYEMSA-N 288.307 2.153 10 40 CECB Cc1cc(C(=O)N2CCC2)c(C)n1-c1ccccn1 95949026 YJAHFZVEVHJGDC-UHFFFAOYSA-N 255.321 2.335 10 40 CECB Cc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)s1 12598684 BTDIVABZBLATTH-YWEYNIOJSA-N 299.398 2.342 10 40 CECB COc1ccc(OC)c(N2C[C@@H](CN=[N+]=[N-])CC2=O)c1 1889040937 GWPZJSRHBKQWNS-SECBINFHSA-N 276.296 2.367 10 40 CECB CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccccc1)C(=O)C2=O 5051051 WKNPGGNYBCWCAL-BZNIZROVSA-N 271.316 2.200 10 40 CECB CC1(C)OC(=O)C(=CNc2ccc(F)c(F)c2)C(=O)O1 215671 YTDLIMYUZMIKNY-UHFFFAOYSA-N 283.230 2.097 10 40 CECB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N=C2O)cc1 8741194 HNJWTHLJVIZNGM-UHFFFAOYSA-N 287.319 2.123 10 40 CECB COc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 5201186 WHLUFVFFGSLISI-WYBTUVDMSA-N 283.287 2.146 10 40 CECB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H](O)CN=[N+]=[N-] 72207815 CYFDWIGNSXJDLH-RKDXNWHRSA-N 256.306 2.057 10 40 CECB Nc1ccc(O)c(/N=N/c2ccc(S(N)(=O)=O)cc2)c1 17993717 UJRDNWBTCMPAQW-FOCLMDBBSA-N 292.320 2.037 10 40 CECB Nc1c(Cl)cc(O)c2c1C(=O)c1ccccc1C2=O 5224777 MFAVJLWGAQYYNX-UHFFFAOYSA-N 273.675 2.403 10 40 CECB COc1ccccc1[C@@H](O)CNCc1ccc2c(c1)CCO2 65489035 WZYOWKWTWHHXCE-INIZCTEOSA-N 299.370 2.453 10 40 CECB O=C(NCCCSc1nccs1)c1cccnc1 74135896 QNSOBDSMWPLKMO-UHFFFAOYSA-N 279.390 2.450 10 40 CECB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1O 5945935 LAUCINACQSMCKH-UHFFFAOYSA-N 274.272 2.146 10 40 CECB CCOC(=O)C1=C[C@@H](C(C)=O)N(C)c2ccc(OC)cc21 2044579 GKQALZJBOVBUMI-HNNXBMFYSA-N 289.331 2.049 10 40 CECB CC(=O)Nc1c(C=O)ccc2c1C(=O)c1ccccc1C2=O 3844858 DFOZJHBWZHQKAM-UHFFFAOYSA-N 293.278 2.233 10 40 CECB biogenic CC(C)Cn1cc(CNCc2ccc(O)cc2O)cn1 256051833 KRHUEZNCUJNDFE-UHFFFAOYSA-N 275.352 2.240 10 40 CECB CCN1C(=O)/C(=C\c2ccn(CC)n2)SC1=S 2787581 VRZGMNFCCUAQDW-VQHVLOKHSA-N 267.379 2.124 10 40 CECB CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc[nH]2)C1=O 103770373 FUDIHVRVAINEMN-ZRDIBKRKSA-N 289.335 2.057 10 40 CECB CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](O)CN=[N+]=[N-])C1 72207833 OSUBWAXWIWABSD-UWVGGRQHSA-N 270.333 2.305 10 40 CECB Oc1ccccc1CNCc1ccc2c(c1)OCO2 20124353 AMZWPLMOTQQXTN-UHFFFAOYSA-N 257.289 2.411 10 40 CECB CCN1C(=O)N/C(=C/c2c(C)[nH]c3ccccc23)C1=O 409230722 FTQGKYZKMOEBGG-MDWZMJQESA-N 269.304 2.389 10 40 CECB CC1=NC(=S)N(N)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1 68602333 QGAKLEAAOGRIQA-HOBGCTPMSA-N 295.755 2.254 10 40 CECB COCCn1c(C)cc(/C=C2\SC(=S)NC2=O)c1C 7734757 ZWPVRAKXUYZJAI-XFFZJAGNSA-N 296.417 2.240 10 40 CECB CC(C)NCc1ccc(N2CCC(O)CC2)c(F)c1 34824087 SZQYQTGMVQHUOR-UHFFFAOYSA-N 266.360 2.285 10 40 CECB CN(Cc1ccccc1O)c1ccc2nccnc2n1 89635720 KCWCGWFSZPCQPZ-UHFFFAOYSA-N 266.304 2.367 10 40 CECB C[C@@H](O)[C@H]1CCCN(Cc2cc(F)ccc2O)C1 225614380 LZBYHXMNTYBGNE-MNOVXSKESA-N 253.317 2.124 10 40 CECB Oc1cc2c(cc1O)[C@@H](c1ccccc1F)NCC2 19691372 QRXMUHPUSWCTPZ-OAHLLOKOSA-N 259.280 2.472 10 40 CECB Cc1cc(O)nc2c(/N=N/c3ccc(O)cc3)c(N)nn12 17720297 ULGKJVGYTSXNNV-WUKNDPDISA-N 284.279 2.447 10 40 CECB CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1 100517492 QBPNMKUZSYLVCR-SOLLPLKKSA-N 295.755 2.254 10 40 CECB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)C=[N+]=[N-] 40979565 DCLLUKYDQHKTCV-ZDUSSCGKSA-N 289.335 2.197 10 40 CECB COc1cccc(CNCc2cccc(OC)c2O)c1O 1707446 CVRMNCCMZAWDHB-UHFFFAOYSA-N 289.331 2.405 10 40 CECB COc1ccc(/C=C\C=C2/C(=O)NC(=S)N=C2O)cc1 33716368 ICKKPRWZHMGDPZ-IHWYPQMZSA-N 288.328 2.006 10 40 CECB O=C(O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]12 4320372 MUJMYRTUDRUYBU-FDOIEUKUSA-N 260.249 2.133 10 40 CECB Cc1n[nH]c(C)c1NCc1ccc(N2CCOCC2)cc1 36734563 BPMDDMNIUSSYNT-UHFFFAOYSA-N 286.379 2.475 10 40 CECB Cc1ccc(NC(=O)C[C@H]2SC(=S)NC2=O)cc1C 34926802 QLOAVEASPGMSMO-SNVBAGLBSA-N 294.401 2.149 10 40 CECB O=C(O)c1ccc2c(c1)C(=O)[C@@H]1C=CC=C[C@H]1C2=O 642882834 AONBVLIYHGCRMQ-NXEZZACHSA-N 254.241 2.122 10 40 CECB CNc1ccc(/C=C2\SC(=S)NC2=O)cc1[N+](=O)[O-] 5931330 QOCOAKSVMBCKKY-UITAMQMPSA-N 295.345 2.125 10 40 CECB Cc1cc(C(=O)N[C@H](C)CO)c(C)n1-c1ccccc1F 97204422 DZIMMMKEKASKHS-SNVBAGLBSA-N 290.338 2.344 10 40 CECB O=C(O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S 1297885 MGSYHFSSOOVWOY-CSKARUKUSA-N 293.369 2.363 10 40 CECB CCCN1C(=O)/C(=C\c2ccco2)C(C(=O)OC)=C1C 6760395 AAIIYRLOEBQFEY-XFXZXTDPSA-N 275.304 2.362 10 40 CECB C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(N2CCOCC2)cc1 58407539 SBASYKSEBGKTDY-WWGRRREGSA-N 288.391 2.356 10 40 CECB CCN1C(=O)C(=Cc2cccs2)C(=O)N(CC)C1=S 5795149 LLFUTPFIDUBINS-UHFFFAOYSA-N 294.401 2.127 10 40 CECB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccn(C)n1 16991029 ACTYHOCVPRETJJ-GXDHUFHOSA-N 266.304 2.226 10 40 CECB Oc1cccc([C@@H]2NCCc3cc(O)c(O)cc32)c1 16399477 APWWKKZTCNEBMI-HNNXBMFYSA-N 257.289 2.039 10 40 CECB Nc1ccc(CC(=O)N2Cc3ccccc3C2)cc1 50909735 MMKWHOQOJRXTPN-UHFFFAOYSA-N 252.317 2.354 10 40 CECB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccco2)SC1=S 19891099 OGGYHNILKPWNML-HWPCKVLBSA-N 297.357 2.344 10 40 CECB COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 4610613 GWOXNNQRAJIJRH-UHFFFAOYSA-N 266.252 2.249 10 40 CECB CSc1c(C(N)=O)ccc2c1C(=O)c1ccccc1C2=O 4176977 UGCSMPZZKDTCQN-UHFFFAOYSA-N 297.335 2.283 10 40 CECB COc1ccc(CN[C@H](C)c2nnc3n2CCC3)cc1C 35255277 LWJDLQHIIBRVND-GFCCVEGCSA-N 286.379 2.392 10 40 CECB C[C@H](O)[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 225614295 LZBYHXMNTYBGNE-WDEREUQCSA-N 253.317 2.124 10 40 CECB CN(C)/N=N/c1c(C(N)=O)n[nH]c1-c1ccc(Cl)cc1 18043332 DBTFWUWNNLGTHE-ISLYRVAYSA-N 292.730 2.389 10 40 CECB C[C@@H]1CCC[C@H](NC(=O)COc2ccc(N)cc2)C1 20155157 BGEKZLLVWQIYRS-YPMHNXCESA-N 262.353 2.343 10 40 CECB CC[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 32895465 XDSZVQNWDYTLDA-ZDUSSCGKSA-N 276.380 2.390 10 40 CECB CCN1C(=O)/C(=C\Nc2ccc(OC)nc2)SC1=S 6711631 QTTYPXIOWRAGKW-VQHVLOKHSA-N 295.389 2.224 10 40 CECB CCn1ccc(CNCc2ccc(N(C)C)cc2)n1 20351144 LXSPDYQJLPOPMT-UHFFFAOYSA-N 258.369 2.259 10 40 CECB CN(C)c1ccc([C@@H](CN)NC(=O)OC(C)(C)C)cc1 19415853 MDPRFSHJWBTVGK-CYBMUJFWSA-N 279.384 2.277 10 40 CECB in-vitro CC[C@H](NC(=O)C[C@@H](O)C(C)C)c1ccccc1O 95445913 MTDCZMJNEHOSRL-GXTWGEPZSA-N 265.353 2.367 10 40 CECB CN(C)c1ccc(CNc2ncnc3[nH]ncc23)cc1 12556594 DZFHSHWVLYTHAS-UHFFFAOYSA-N 268.324 2.031 10 40 CECB Cc1nn(CCF)cc1NCc1ccc(O)cc1O 256049869 BUSADLGBYHGOTK-UHFFFAOYSA-N 265.288 2.184 10 40 CECB CN(CCO)c1ccc(/C=C/c2cc[n+](C)cc2)cc1 34753829 OBGVGFFSRMABJX-UHFFFAOYSA-N 269.368 2.110 10 40 CECB Cc1cc(C)c(O)c(C2(O)C(=O)c3ccccc3C2=O)c1 101733 JPWNAWMYTQWNBQ-UHFFFAOYSA-N 282.295 2.276 10 40 CECB CCCC[C@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H]2C 137108838 FYGYKMDOIGZNQO-WJNVRWDZSA-N 286.335 2.479 10 40 CECB Cc1nc(Nc2ccc(N)cc2)cc(-n2cccn2)n1 217505966 OYMOYVYAVUDNNK-UHFFFAOYSA-N 266.308 2.297 10 40 CECB Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 20185693 GZEGOYJRUVXRMT-UHFFFAOYSA-N 295.386 2.160 10 40 CECB in-vitro CC1=NC(=S)N(N)C(=O)[C@H]1N=Nc1ccc(Cl)cc1 245240577 QGAKLEAAOGRIQA-VIFPVBQESA-N 295.755 2.254 10 40 CECB COc1cc2c[n+]3ccccc3c(N)c2cc1OC 1566772 IJOBBSDWBPMDRY-UHFFFAOYSA-N 255.297 2.178 10 40 CECB COC(=O)C[C@@H]1SC(=S)N(C2CCCCC2)C1=O 219781405 KKHIXKQBOVIBOT-VIFPVBQESA-N 287.406 2.111 10 40 CECB CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](O)CN=[N+]=[N-])C1 72207832 OSUBWAXWIWABSD-NXEZZACHSA-N 270.333 2.305 10 40 CECB CNC(=S)N(Cc1ccco1)Cc1ccccc1O 7659366 HONIIRRZUMFUHO-UHFFFAOYSA-N 276.361 2.492 10 40 CECB CC1CCC(NC(=O)COc2ccc(N)cc2)CC1 20155152 KGMDOHFLNLUKDH-UHFFFAOYSA-N 262.353 2.343 10 40 CECB CC(=O)Oc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 33316845 XXJDIYDFYRKVLB-XFFZJAGNSA-N 293.369 2.443 10 40 CECB CC(C)NC(=O)NCc1ccc(N2CCSCC2)cc1 42839316 KVFWDIKPVQNNGZ-UHFFFAOYSA-N 293.436 2.447 10 40 CECB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cccc(F)c1 408821621 JMCRMXCDEGRKDF-AUWJEWJLSA-N 299.305 2.414 10 40 CECB CN1C(=O)N=C(O)/C(=C\c2c[nH]c3ccccc23)C1=O 18101074 QLGAVODOGKVSAF-UXBLZVDNSA-N 269.260 2.100 10 40 CECB O=C(NCc1ccc(N2CCOCC2)cc1)C1CCCC1 49740521 JLJQNWLRVFCJML-UHFFFAOYSA-N 288.391 2.330 10 40 CECB NC(=O)c1ccc(/N=N\c2c(N)cc(N)cc2O)cc1 104391272 GEXNLCNXZZYZPD-ZCXUNETKSA-N 271.280 2.071 10 40 CECB Cn1nc(CNCc2ccccc2O)cc1C(F)(F)F 256052751 OMRKTTVDYOHRJM-UHFFFAOYSA-N 285.269 2.434 10 40 CECB COc1ccccc1/C=C1/SC(=S)N(C(C)=O)C1=O 16139025 CQIMTDKEYFVUFT-YRNVUSSQSA-N 293.369 2.443 10 40 CECB CC(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 5097795 JQJDPZGJPZTABJ-OAHLLOKOSA-N 277.412 2.128 10 40 CECB COc1ccc(N2CCN[C@H]3CCCC[C@H]32)c(OC)c1 218833460 MRKMHLBYXHQCOE-UONOGXRCSA-N 276.380 2.425 10 40 CECB Cc1cc(=O)[nH]c([C@@H](C)Sc2nccs2)n1 96469062 JFGRVYKGUHKGJQ-SSDOTTSWSA-N 253.352 2.388 10 40 CECB Cc1cccc(C)c1/N=N/c1c(N)nc(N)nc1O 16952205 LQQIBVDFOJVUJG-ISLYRVAYSA-N 258.285 2.379 10 40 CECB O=C1CSC(=S)N1CCCc1ccccc1 35668563 PIFOAVQKRIRPJC-UHFFFAOYSA-N 251.376 2.480 10 40 CECB Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cn1 32895894 XLDFOSMCOYGLEA-UHFFFAOYSA-N 269.348 2.386 10 40 CECB Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)no1 8163866 JKOYTXXIQHUQJO-UHFFFAOYSA-N 274.324 2.371 10 40 CECB NNc1cccc2c1C(=O)c1cccc(Cl)c1C2=O 21984225 FQDOIAUIGLIYTG-UHFFFAOYSA-N 272.691 2.401 10 40 CECB CCN(CC)c1ccc(/C=C2/NC(=O)N(C)C2=O)cc1 409192651 DIYHHCNOODFZBX-JLHYYAGUSA-N 273.336 2.055 10 40 CECB COCC1=NNC(=O)/C1=C\Nc1ccc(C(F)(F)F)cc1 100329333 HFBOPQWIJYQLAN-POHAHGRESA-N 299.252 2.133 10 40 CECB CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C/c1ccco1 100807845 IYHBAPMFSNXVAJ-UKTHLTGXSA-N 296.282 2.427 10 40 CECB [N-]=[N+]=NC1=NNC2(C(=O)N1)c1ccccc1-c1ccccc12 5955019 GMAPHHUUSLWAEB-UHFFFAOYSA-N 290.286 2.211 10 40 CECB O=C1C(=O)[C@@H](c2ccccc2)Oc2cc(O)ccc21 575623592 UUDVVRALFYSADU-OAHLLOKOSA-N 254.241 2.278 10 40 CECB COc1cccc(/C=C2\SC(=S)NC2=O)c1OC 12339020 DCFBHAYQQWSRFH-TWGQIWQCSA-N 281.358 2.193 10 40 CECB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(O)cc1 241982 DUONODQXDIBYLU-UHFFFAOYSA-N 274.272 2.146 10 40 CECB CS[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C 69348290 BVZBUCZTRYKDLJ-LLVKDONJSA-N 278.421 2.437 10 40 CECB Cc1cc(=O)oc2c(CN3CCSCC3)c(O)ccc12 79485430 VPCUJNIUMJZAKC-UHFFFAOYSA-N 291.372 2.356 10 40 CECB biogenic Cc1c(/C=C2\SC(N3CCCCC3)=NC2=O)cnn1C 96118966 PUZUXUFNUBECMT-WQLSENKSSA-N 290.392 2.185 10 40 CECB C[n+]1ccccc1/C=C1\Sc2ccccc2N1CCO 188599 VHMYRIWZTCFOPT-UHFFFAOYSA-N 285.392 2.414 10 40 CECB Cc1nc(C=S(C)(C)=O)cc(-c2cccs2)n1 218795227 UDWFWPOXAZVEPH-UHFFFAOYSA-N 266.391 2.208 10 40 CECB Nc1ccc(OCc2n[nH]c(-c3cccc(N)c3)n2)cc1 62719588 XHKBSCMLNWHHNB-UHFFFAOYSA-N 281.319 2.215 10 40 CECB O=C(NCCCSc1nccs1)NCC(F)(F)F 75139373 JTUVVOJOIMFQGE-UHFFFAOYSA-N 299.343 2.487 10 40 CECB C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(F)(F)F 97098099 GNUCJDWXAHFCSR-MRVPVSSYSA-N 291.269 2.488 10 40 CECB O=[N+]([O-])c1cccc([C@H]2NCCc3cc(O)c(O)cc32)c1 19691363 JQLGBBVWEKHBEC-OAHLLOKOSA-N 286.287 2.241 10 40 CECB COC(=O)[C@@H](/N=N/c1ccccc1)[C@H](O)C(F)(F)F 100388531 ACJPJWZAYJWGEC-PZECWHKWSA-N 276.214 2.235 10 40 CECB CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccccc1O 39239539 CBJVTWUVPXQONY-SNVBAGLBSA-N 267.281 2.043 10 40 CECB CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)CN=[N+]=[N-] 72207808 BPTQOJJYXGYOFB-RKDXNWHRSA-N 258.322 2.207 10 40 CECB CCOC(=O)[C@H]1CCCN(Cc2cccc(OC)c2O)C1 4575463 MNYDLODUPHUFAU-ZDUSSCGKSA-N 293.363 2.176 10 40 CECB Cn1cccc1/C=C1\C(=O)N(C(C)(C)C)C(=O)N=C1O 17027761 OEFQQVZNXMOVGB-NTMALXAHSA-N 275.308 2.126 10 40 CECB CC[C@@H](NC(=O)C[C@@H](O)C(C)C)c1ccccc1O 95445914 MTDCZMJNEHOSRL-TZMCWYRMSA-N 265.353 2.367 10 40 CECB O=C1c2ccccc2C(=O)c2cc(N3CCOCC3)ccc21 19722061 HZZUNKABBQFNBL-UHFFFAOYSA-N 293.322 2.299 10 40 CECB Cc1cccc(C(=O)C(=O)c2ccc3nc[nH]c3c2)n1 1857793619 FSSQEGAMEZRKDC-UHFFFAOYSA-N 265.272 2.332 10 40 CECB CN1c2ccccc2S[C@@H]2C=CC(CC(N)=O)=C[C@H]21 101242669 GWRSFAVGQQCELY-TZMCWYRMSA-N 272.373 2.337 10 40 CECB NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1083146 WDKWVDBVMXMBSA-YVMONPNESA-N 270.766 2.415 10 40 CECB CC1=NN(c2ccccc2)C(O)=C/C1=C1/C(=O)N(C)N=C1C 16694168 QJIWANUJNQMYPV-SQFISAMPSA-N 296.330 2.426 10 40 CECB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374590 PGJVLHLSUAIKLM-WSQKDGNHSA-N 296.373 2.079 10 40 CECB CN1N=C(C(F)(F)F)/C(=C/Nc2ccccc2O)C1=O 100271368 JRWFGCLIJQZGRV-SREVYHEPSA-N 285.225 2.078 10 40 CECB NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(O)cc1 24969508 QFNRHDSDIKNABX-ISLYRVAYSA-N 299.286 2.450 10 40 CECB CCc1ccccc1/N=N\c1c(N)nc(N)nc1O 104125428 YJFVMUILKDWVHO-ZCXUNETKSA-N 258.285 2.324 10 40 CECB COc1ccc(N2CCN(c3ccc(C)nn3)CC2)cc1 32624526 VNOHZCPJQYCKQZ-UHFFFAOYSA-N 284.363 2.120 10 40 CECB Cc1ccc(F)cc1NC=C1C(=O)OC(C)(C)OC1=O 3018259 OTPLIEXZSHSFEE-UHFFFAOYSA-N 279.267 2.266 10 40 CECB CN(C)c1ccc([C@H]2ON2[C@H]2CC[C@H](O)CC2)cc1 585162783 XKCSOGROYPJLOO-BOEXNKMNSA-N 262.353 2.302 10 40 CECB O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccc(O)cc12 8662 BXPBSBBFPNTFFT-UHFFFAOYSA-N 286.239 2.282 10 40 CECB biogenic,in-vitro CN1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=S)N(C)C1=O 30826617 IMAJBNIUMXKCIY-XFFZJAGNSA-N 299.355 2.403 10 40 CECB CC[C@H](C(=O)O)N(C)c1ccc(OC)cc1OC 225000094 CAIYVQHVWRAKGW-SNVBAGLBSA-N 253.298 2.003 10 40 CECB CC(=O)Oc1cccc(/C=C2\SC(=S)NC2=O)c1 17118288 RVSGBNWRUZTHPU-POHAHGRESA-N 279.342 2.101 10 40 CECB O=C(O)[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 20357906 KDSVTGJJKBHYGR-QMMMGPOBSA-N 275.226 2.496 10 40 CECB COC(=O)[C@@H](/N=N\c1ccccc1)[C@H](O)C(F)(F)F 100388528 ACJPJWZAYJWGEC-BIULCZSVSA-N 276.214 2.235 10 40 CECB Cc1cc(/C=C2\NC(=S)N(C)C2=O)c(C)n1C1CC1 4690756 OYLRSSAVTATDIO-GHXNOFRVSA-N 275.377 2.127 10 40 CECB CC(C)Cn1ccc(CNCc2ccc(O)cc2O)n1 256053341 RBKPNZRCGOCWTD-UHFFFAOYSA-N 275.352 2.240 10 40 CECB O=C1NN=C(C(F)(F)F)/C1=C/Nc1ccccc1 100408798 ZZCMTJBMIDUOLO-VURMDHGXSA-N 255.199 2.031 10 40 CECB CCCC(=O)N1CCN(c2ccc3c(c2)O[C@@H](C)O3)CC1 1636265 NJJUSPCXOWMCAH-LBPRGKRZSA-N 290.363 2.253 10 40 CECB CCC[C@@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H]2C 136617127 ZCONBBWTQITBLX-WRZDFSGXSA-N 272.308 2.089 10 40 CECB Nc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 226238662 AGEUQDXBHHRCKK-UHFFFAOYSA-N 285.372 2.325 10 40 CECB C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCCC1 97098019 ZDWLYQUEINYSKQ-SNVBAGLBSA-N 261.321 2.255 10 40 CECB CN(C)c1ccc(CNCc2ccn(CCF)n2)cc1 256054891 YFGVTDJKGNRDFK-UHFFFAOYSA-N 276.359 2.208 10 40 CECB CON(C)C(=O)c1cccc(Oc2ccc(N)cn2)c1 685937187 CJKSWMALKPNFBF-UHFFFAOYSA-N 273.292 2.090 10 40 CECB CC(C)c1nc(C=S(C)(C)=O)c2ccccc2n1 218781850 MKUGVOMMMIVQKF-UHFFFAOYSA-N 262.378 2.448 10 40 CECB O=C(NC1=NN(c2ccccc2)C(=O)C1)c1ccc(F)cc1 6603086 UALWORYHELWTKU-UHFFFAOYSA-N 297.289 2.306 10 40 CECB CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4245133 MAHHEUJIITYGOD-MISXGVKJSA-N 257.289 2.428 10 40 CECB COC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S 1091731 FPFFITPBSGDLSN-YVMONPNESA-N 299.398 2.122 10 40 CECB Cc1cccc(N2NC(=O)/C(=C\c3ccccc3O)C2=O)c1 3767539 JSDBJMLYKHYGAB-GXDHUFHOSA-N 294.310 2.162 10 40 CECB CN(C)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3O2)cc1 7243806 AWBGKICTPIWIEP-KRWDZBQOSA-N 296.370 2.373 10 40 CECB COc1cc(O)c(C(=O)c2cccc(O)c2O)c(OC)c1 14639665 IYKKVJSOAPKTPD-UHFFFAOYSA-N 290.271 2.052 10 40 CECB biogenic CCOc1sc(C(=O)OC)c(O)c1Br 96511002 ULYNRLVFMJGCAI-UHFFFAOYSA-N 281.127 2.402 10 40 CECB Cc1cccc(C)c1NC(=O)C[C@H]1SC(=S)NC1=O 34926838 PTUFKQHVRUMTOR-SECBINFHSA-N 294.401 2.149 10 40 CECB Oc1ccccc1CNCc1ccn(CC(F)(F)F)n1 256051413 JBNWAPJJEVQWFX-UHFFFAOYSA-N 285.269 2.441 10 40 CECB Cc1ccc(C)c(NC(=O)CN2C(=O)CSC2=S)c1 8302078 QQIWLDSXFFGZLX-UHFFFAOYSA-N 294.401 2.102 10 40 CECB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccnc1 58865785 TUPNXMAXJVNLLA-UHFFFAOYSA-N 273.288 2.225 10 40 CECB Nc1cccc2c1C(=O)c1ccc(Cl)c(N)c1C2=O 4522750 AXABXWMNLWJHPD-UHFFFAOYSA-N 272.691 2.280 10 40 CECB CCn1nccc1CNCc1ccc(N(C)C)cc1 20351299 WIVOSUBQAJUIAE-UHFFFAOYSA-N 258.369 2.259 10 40 CECB CN(C)c1ccc(CN(C)c2ncnc3c2cnn3C)cc1 14264792 OTLRKVCSDHRHHS-UHFFFAOYSA-N 296.378 2.066 10 40 CECB COc1cccc([C@@H]2NC(=O)c3ccccc3N2C)c1O 9118412 FRBZGKXMRYUNBJ-OAHLLOKOSA-N 284.315 2.279 10 40 CECB CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccccc1O 39239538 CBJVTWUVPXQONY-JTQLQIEISA-N 267.281 2.043 10 40 CECB CC(C)(C)OC(=O)N1CCC[C@H]([C@H](O)CN=[N+]=[N-])C1 72207831 OSUBWAXWIWABSD-VHSXEESVSA-N 270.333 2.305 10 40 CECB Nc1c(S)cc(O)c2c1C(=O)c1ccccc1C2=O 4522752 FRYOPPDGWFBTKY-UHFFFAOYSA-N 271.297 2.039 10 40 CECB Nc1nc(N)c(/N=N\c2ccc(Cl)cc2)c(O)n1 100425730 LLMGLYHILGXNSE-MSUUIHNZSA-N 264.676 2.415 10 40 CECB CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)O 3764925 DDUFPRLGKYQAIO-NJERVBSYSA-N 267.310 2.008 10 40 CECB O=C1/C(=C\c2ccc(O)c(O)c2)N=C2CCCCCN12 13637365 BEWNXCQREHNWDR-DHZHZOJOSA-N 272.304 2.253 10 40 CECB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ncn[nH]1 16161059 HTZRYTUOSJHOQP-XFFZJAGNSA-N 284.348 2.324 10 40 CECB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)N1CCOCC1 100998577 LZAKXVUGUVWCIR-SQFISAMPSA-N 285.347 2.015 10 40 CECB Cc1nn(C)cc1/C=C1/SC(N2CCCCC2)=NC1=O 17022452 CXPMOUNDBFHWKU-XYOKQWHBSA-N 290.392 2.185 10 40 CECB COC(=O)CN(Cc1ccccc1O)C1CCCC1 71904915 ZBCSCUAEXNPBCN-UHFFFAOYSA-N 263.337 2.310 10 40 CECB COc1cc(/C=C2/SC(=S)N=C2O)cc(O)c1O 56636007 BXIDOGUTFBMBHL-XBXARRHUSA-N 283.330 2.436 10 40 CECB O=C(O)[C@H](CO)Nc1c2ccccc2nc2ccccc12 5532763 VDDFGSZNGXSFNH-AWEZNQCLSA-N 282.299 2.245 10 40 CECB COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 32273104 XQVARADQQSXJMO-KAMYIIQDSA-N 294.310 2.157 10 40 CECB COCc1nc(C)cc(N(C)Cc2ccccc2O)n1 89635736 SPSNDYRTIFXZHX-UHFFFAOYSA-N 273.336 2.273 10 40 CECB Oc1cc(CN2CCCC2)c(O)cc1CN1CCCC1 1571034 BIFNUSXEHXXGNB-UHFFFAOYSA-N 276.380 2.289 10 40 CECB Cc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)O)[C@H]1CC=C[C@H]21 8409946 QQKLDEHQBYNOBZ-RVBZMBCESA-N 274.276 2.442 10 40 CECB Nc1ccc(CC(=O)N(CC2CC2)CC2CC2)cc1 70503949 NHDVULUIAXZIIE-UHFFFAOYSA-N 258.365 2.460 10 40 CECB CN/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O 618255231 SROBJMFPQCNWJX-YFHOEESVSA-N 264.375 2.421 10 40 CECB O=C1c2ccccc2C(=O)[C@]23O[C@@]12[C@@H]1C=C[C@H]3CC1 104288372 IHJOVZZIOCCLQD-UIHHKEIPSA-N 252.269 2.169 10 40 CECB O=C(O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1O 86760120 HZDHFSFCOFNRRJ-HNNXBMFYSA-N 283.327 2.404 10 40 CECB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)C=[N+]=[N-] 104843583 TVEZBIORYYZQAS-FZMZJTMJSA-N 289.335 2.197 10 40 CECB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1F 4693062 KDRWAXJNYPTMKM-RAXLEYEMSA-N 282.274 2.287 10 40 CECB O=c1ccc2c([nH]1)CCC[C@@H]2NCc1ccc2c(c1)CCO2 71837213 YGXNOQMXZLVLQD-HNNXBMFYSA-N 296.370 2.477 10 40 CECB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)o1 13350199 OMERKMAXFIVYNH-TWGQIWQCSA-N 297.357 2.264 10 40 CECB O=C1O[C@H](C2C(=O)c3ccccc3C2=O)C(Cl)=C1Cl 101463296 FZNQTLMZZMXJGX-GFCCVEGCSA-N 297.093 2.296 10 40 CECB O=C(O)[C@@H](CO)Nc1c2ccccc2nc2ccccc12 5532765 VDDFGSZNGXSFNH-CQSZACIVSA-N 282.299 2.245 10 40 CECB O=C1NN(c2ccccc2)C(=O)C1=Cc1ccccc1 1857742017 PKTTZLOKYWXRQV-UHFFFAOYSA-N 264.284 2.148 10 40 CECB Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 20185765 IGTFWJOHKLVUKX-UHFFFAOYSA-N 252.317 2.401 10 40 CECB Cc1cc(=O)oc2c(CNCc3ccccn3)c(O)ccc12 6673044 RAYTVDJUFSCBRL-UHFFFAOYSA-N 296.326 2.492 10 40 CECB Cc1cc2oc(=O)c3c(c2c(O)c1CN(C)C)CCC3 4540342 CXKSZAAVFCTKPQ-UHFFFAOYSA-N 273.332 2.357 10 40 CECB CSCCC(=O)NCc1ccc(N(C)C)cc1 32741128 VZJNJVVAUHIRNP-UHFFFAOYSA-N 252.383 2.122 10 40 CECB CCCCN1C(=O)/C(=C\C=C\c2ccco2)C(=O)N=C1O 17056252 SETMMDLKNXBECG-HOGPSILUSA-N 288.303 2.302 10 40 CECB CCOc1ccc(/C=C2/SC(=S)NC2=O)c(O)c1 3027593 PAUVHHXQIMCUBA-BJMVGYQFSA-N 281.358 2.280 10 40 CECB O=C1c2ccccc2C(=O)c2c(O)cc([N+](=O)[O-])cc21 5699235 KGZXPGUXBNWRFB-UHFFFAOYSA-N 269.212 2.076 10 40 CECB CCOC(=O)c1nc[nH]c1/N=N/c1c(C)nn(C)c1C 6294458 UIJGNGFUFHRZND-FOCLMDBBSA-N 276.300 2.352 10 40 CECB CCN1NNc2cc(C(=O)/N=N/C(=O)c3ccco3)ccc21 9376399 BNLZOBNKRQLHKR-WUKNDPDISA-N 299.290 2.384 10 40 CECB Cc1nn(C)cc1/C=C1\SC(N2CCCCC2)=NC1=O 96118977 CXPMOUNDBFHWKU-WQLSENKSSA-N 290.392 2.185 10 40 CECB Cc1nc(NCc2cccc(Br)c2O)n(C)n1 162484789 VEHANIFAMSBTBB-UHFFFAOYSA-N 297.156 2.204 10 40 CECB O=C1c2ccccc2C(=O)N1/N=[N+](\[O-])c1ccccc1 1582618 VCSZKWFRMNXZLS-ICFOKQHNSA-N 267.244 2.492 10 40 CECB CCC12CN3CC(C)(CN(C1)C3c1ccccc1O)C2=O 19323619 SLIJNDQESCCFNY-UHFFFAOYSA-N 286.375 2.007 10 40 CECB biogenic O=[N+]([O-])c1ccc(O)c(C2=NN[C@H](c3cccnc3)C2)c1 35026066 ATBGKGJXFHDSQM-LBPRGKRZSA-N 284.275 2.134 10 40 CECB O=C1Nc2ccccc2[C@@]12NN=C(c1ccccc1)S2 41721 OPMUPUCYNXWWEB-HNNXBMFYSA-N 281.340 2.490 10 40 CECB COc1cc(OC)c(/N=N/c2nc[nH]n2)c(OC)c1 5243317 MCDLMYSROVJTDO-JQIJEIRASA-N 263.257 2.246 10 40 CECB COCc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C=C(C)N2 100857887 LQVDWZKOCRXFBD-AWEZNQCLSA-N 299.378 2.409 10 40 CECB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(O)CN=[N+]=[N-] 72207961 CSAQZOOOIYHMAO-SKDRFNHKSA-N 270.333 2.447 10 40 CECB CC[C@H](CO)NCc1ccc(N(CC)CC)cc1 6870796 UONQRMPXTKIMIG-CQSZACIVSA-N 250.386 2.393 10 40 CECB COc1ccc(N(C)CC(=O)NC2CCCC2)cc1OC 58244566 UBNZSDNSQHEZOD-UHFFFAOYSA-N 292.379 2.199 10 40 CECB CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 55529867 XBROONZYIPJOLF-RYUDHWBXSA-N 294.370 2.466 10 40 CECB COc1cc(/C=C2/SC(=S)NC2=O)cc(OC)c1 1092572 DGXJIOAPRQOTFP-BJMVGYQFSA-N 281.358 2.193 10 40 CECB Cc1nn(C)cc1CNCc1ccc(N(C)C)cc1 12395342 CEYOJTKTZOJEAO-UHFFFAOYSA-N 258.369 2.084 10 40 CECB O=C1N=C(O)/C(=C\c2cccc3ccccc23)C(=O)N1 3157610 IRRHWYDVBCZPOS-UHFFFAOYSA-N 266.256 2.430 10 40 CECB Cc1cc(C)c(CN2CCC(C(=O)O)CC2)c(O)c1 4038432 MQWWIQVFGXTFIO-UHFFFAOYSA-N 263.337 2.306 10 40 CECB O=C(CCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1O 5640693 CISQVWHIYYYZMR-UHFFFAOYSA-N 290.271 2.030 10 40 CECB CCc1ccccc1/N=N/c1c(N)nc(N)nc1O 16952211 YJFVMUILKDWVHO-ISLYRVAYSA-N 258.285 2.324 10 40 CECB COc1ccccc1[C@H]1NCCc2cc(O)c(O)cc21 3723132 DVLHYBOBPDUWGR-MRXNPFEDSA-N 271.316 2.342 10 40 CECB Oc1cc(/C=C/c2cc(O)c(O)c(O)c2)cc(O)c1O 38393465 ZUIXFZJBOJTTET-OWOJBTEDSA-N 276.244 2.091 10 40 CECB COc1cccc([C@@H]2NCCc3cc(O)c(O)cc32)c1 3723099 MWHMVJITODAQPY-INIZCTEOSA-N 271.316 2.342 10 40 CECB Cc1cc(C(=O)N[C@@H](C)CO)c(C)n1-c1ccccc1 97204825 IYCHHPRIRNSWMU-NSHDSACASA-N 272.348 2.205 10 40 CECB Cc1ccc([N+](=O)[O-])c2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21 8411249 MDIZWWWSVVGOAJ-RVBZMBCESA-N 274.276 2.442 10 40 CECB COc1ccc(N2CCC(NC(=O)NC(C)C)CC2)cc1 69587180 JWWMOFPTDGOFIX-UHFFFAOYSA-N 291.395 2.372 10 40 CECB O=C1c2ccccc2C(=O)c2cc3c(cc21)OCCO3 35326472 QIDVZDREYLTRSB-UHFFFAOYSA-N 266.252 2.233 10 40 CECB COCCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1C 100423005 KOIAZSDUFMRZQV-QINSGFPZSA-N 287.363 2.309 10 40 CECB CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](O)CN=[N+]=[N-] 72207807 BPTQOJJYXGYOFB-BDAKNGLRSA-N 258.322 2.207 10 40 CECB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cccc(F)c1 573212 VBJHFJLZLRRYFL-WQLSENKSSA-N 275.279 2.128 10 40 CECB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1ccc(N)cc1 3896358 LHLQAMIOXPCYGU-YDHLFZDLSA-N 278.396 2.271 10 40 CECB Cc1n[nH]c(C)c1/C=C1\SC(N2CCCCC2)=NC1=O 65551221 ANVFRVGUONIAHZ-WQLSENKSSA-N 290.392 2.483 10 40 CECB CN(C)c1ccc(/C=C2\OC(=S)NC2=S)cc1 198125 ILHPWNRSMANFEJ-YFHOEESVSA-N 264.375 2.326 10 40 CECB COc1ccccc1C=C1C(=O)OC2(CCCC2)OC1=O 58865976 PBKHONHZDRZEFD-UHFFFAOYSA-N 288.299 2.449 10 40 CECB COCCCC(=O)NCc1ccc(N(C)C)c(C)c1 71896271 KYVXTTHXULIDGR-UHFFFAOYSA-N 264.369 2.104 10 40 CECB Cc1cc(C(=O)N2CCO[C@@H](C)C2)c(C)n1-c1ccccn1 44915105 GFFDXPVDZDJTIR-ZDUSSCGKSA-N 299.374 2.350 10 40 CECB CN(C)C1=NC(=O)/C(=C\c2ccc(F)cc2)S1 12861501 ZPBCPQHNKFDJON-JXMROGBWSA-N 250.298 2.358 10 40 CECB O=c1ccc2c([nH]1)CCC[C@H]2NCc1ccc2c(c1)CCO2 71837212 YGXNOQMXZLVLQD-OAHLLOKOSA-N 296.370 2.477 10 40 CECB COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OC 19390517 UPJMOJABAUIDDZ-UHFFFAOYSA-N 286.331 2.467 10 40 CECB Oc1ccccc1CNCc1ccnn1CC(F)(F)F 256054368 WAGTYQADJYOHGZ-UHFFFAOYSA-N 285.269 2.441 10 40 CECB COc1ccc(/C=C2\SC(=S)NC2=O)c(OC)c1 13597820 AXWRYCWHNVYLQW-YHYXMXQVSA-N 281.358 2.193 10 40 CECB Cc1cc([C@@H]2CC(=O)Nc3ncnn32)ccc1N1CCCC1 6613169 BCRDIZADTRMAHZ-AWEZNQCLSA-N 297.362 2.118 10 40 CECB NC(=O)c1nc(/N=N\c2ccc(Cl)cc2)[nH]c1N 104203391 REKBNQGJBOPNQE-MSUUIHNZSA-N 264.676 2.160 10 40 CECB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NC(=O)O 5546910 QIERIMRLJNVXQE-GHXNOFRVSA-N 273.292 2.177 10 40 CECB O=C(O)[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]21 4320374 MUJMYRTUDRUYBU-JWKOBGCHSA-N 260.249 2.133 10 40 CECB COC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 4016408 JJFLSBOGTGPZMM-UHFFFAOYSA-N 266.252 2.249 10 40 CECB biogenic,in-vitro O=C(O)C1CCN(Cc2cc(Cl)ccc2O)CC1 4673027 VPVCXAILHVKPAC-UHFFFAOYSA-N 269.728 2.342 10 40 CECB CCOC(=O)C1CCN(Cc2cccc(OC)c2O)CC1 819191 KMGWVZBXVGLKKR-UHFFFAOYSA-N 293.363 2.176 10 40 CECB NC(=O)c1cn(-c2c3ccccc3nc3ccccc23)nn1 218797859 QNZDNMVWTFRIDV-UHFFFAOYSA-N 289.298 2.068 10 40 CECB O=C(O)[C@@H]1CS[C@H](c2c(O)ccc3ccccc23)N1 6476649 YSQHEHCNKUBBIK-GXFFZTMASA-N 275.329 2.334 10 40 CECB COc1cc(C=O)cc(CN2CCC[C@@H](C)C2)c1O 216834850 XQSANAFMVGSGBP-LLVKDONJSA-N 263.337 2.445 10 40 CECB O=C(NCCc1ccc(O)c(O)c1)C1CCCCC1 6224440 DVVWLVZJHKEGRR-UHFFFAOYSA-N 263.337 2.337 10 40 CECB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(N)cc1 262190 LHLQAMIOXPCYGU-VNHYZAJKSA-N 278.396 2.271 10 40 CECB CC(=O)N1N=C(c2ccncc2)C[C@@H]1c1ccccc1O 4384650 ZVMKQMLHAWOEAX-OAHLLOKOSA-N 281.315 2.485 10 40 CECB COc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 60171007 UVGFYTMWSGOJRW-UHFFFAOYSA-N 283.239 2.379 10 40 CECB CC1=NNC(=O)[C@@H]1/N=N/c1cc(-c2ccccc2)n[nH]1 103609025 OGYFPVGLDLNTJC-PFFGMESJSA-N 268.280 2.035 10 40 CECB Cc1nc2ccccc2c(=O)n1CCc1ccc(O)c(O)c1 1729470 CRTLOXLLWAYOLG-UHFFFAOYSA-N 296.326 2.359 10 40 CECB biogenic COc1ccccc1CN1C[C@@H](CN=[N+]=[N-])CC1=O 1889032744 SEQQPXZEUCBACI-SNVBAGLBSA-N 260.297 2.354 10 40 CECB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\N(C)C 5546902 JPSXEDSIXVOIDE-ZROIWOOFSA-N 257.337 2.471 10 40 CECB NC(=O)c1ccc(/N=N/c2c(N)cc(N)cc2O)cc1 17920275 GEXNLCNXZZYZPD-ISLYRVAYSA-N 271.280 2.071 10 40 CECB CCCNCc1c(O)ccc2c3c(c(=O)oc12)CCC3 9048354 IGGIEUJBDILASA-UHFFFAOYSA-N 273.332 2.487 10 40 CECB CC[C@@H](NC(=O)CCn1cccn1)c1ccccc1O 95445918 LNCMDQIWRAHHHR-CYBMUJFWSA-N 273.336 2.246 10 40 CECB CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1ccccc1F)C(=O)C2=O 100198366 HILYWRKYDBKMPL-FVMDXXJSSA-N 289.306 2.339 10 40 CECB CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 4245131 MAHHEUJIITYGOD-COPLHBTASA-N 257.289 2.428 10 40 CECB Cn1c(Cl)cnc1[C@@H]1CC(c2ccccc2O)=NN1 494840 MCCSMFRLGURJQH-JTQLQIEISA-N 276.727 2.218 10 40 CECB CS(=O)(=O)N(Cc1ccc(N)cc1)c1cccc(F)c1 225403599 RTQWUUKCNQVMRN-UHFFFAOYSA-N 294.351 2.374 10 40 CECB NCc1ccc(N2CCOCC2)cc1C(F)(F)F 32625222 COWJRZUKFFPOFA-UHFFFAOYSA-N 260.259 2.001 10 40 CECB in-vitro O=C(C[C@@H]1CCCO1)NCc1ccc(N2CCCC2)cc1 44942960 RCZGKNOYJQEGOT-INIZCTEOSA-N 288.391 2.472 10 40 CECB Oc1ccc(/C=C/c2nc([C@H]3CCOC3)no2)cc1O 95940718 VFFZMGMWYADLBN-YWNRKNDBSA-N 274.276 2.155 10 40 CECB CCCCN(C)/N=N/c1c(C(N)=O)n[nH]c1C(C)C 18024150 WRQRQDVUQXVVMO-WUKNDPDISA-N 266.349 2.363 10 40 CECB CN(C)CCOc1cccc2c1C(=O)c1ccccc1C2=O 5574220 FJNIEHHQRGYTSQ-UHFFFAOYSA-N 295.338 2.402 10 40 CECB CC1(C)[C@@H]2CC[C@]1(C(=O)Nc1ccccc1F)C(=O)C2=O 100198363 HILYWRKYDBKMPL-JDNHERCYSA-N 289.306 2.339 10 40 CECB CC(C)=C1C(=O)NN(c2cccc(Cl)c2)C1=O 344831 MMQXMALZEYHTJX-UHFFFAOYSA-N 250.685 2.054 10 40 CECB O=C1c2ccccc2C(=O)c2cc3c(cc21)OCO3 3802852 AQLVBUARCOFWJA-UHFFFAOYSA-N 252.225 2.191 10 40 CECB Cc1n[nH]c(-c2cccnc2)c1/N=N\N1CCOCC1 16932203 QEBPIWMCHIBUSB-ZCXUNETKSA-N 272.312 2.111 10 40 CECB COC(=O)c1sc(C)c(Br)c1O 34238052 BHECESYNGLJWQG-UHFFFAOYSA-N 251.101 2.311 10 40 CECB in-vitro O=C(O)c1ccccc1[C@H]1NCCc2cc(O)c(O)cc21 16449483 DILLBHNRBZYDQE-OAHLLOKOSA-N 285.299 2.031 10 40 CECB O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)cc12 14757256 GGHXUACYEVVMIT-UHFFFAOYSA-N 286.239 2.282 10 40 CECB O=C1CCN(/N=N/c2cccc(C(F)(F)F)c2)N1 1395510 PVADLVZKNFJEJP-JQIJEIRASA-N 258.203 2.441 10 40 CECB CN(C(=O)COc1ccccc1)c1ccc(N)cc1 16989575 WQKYAMFHSUVLCA-UHFFFAOYSA-N 256.305 2.311 10 40 CECB CC1(C)[C@H]2CC[C@]1(C(=O)Nc1ccccc1)C(=O)C2=O 5051050 WKNPGGNYBCWCAL-MEDUHNTESA-N 271.316 2.200 10 40 CECB O=C(O)c1cc2c(s1)C(=O)c1sccc1C2=O 1635070 WTAUYWUADNKEOY-UHFFFAOYSA-N 264.283 2.283 10 40 CECB CSCC[C@@H](NCc1ccc(N(C)C)cc1)C(=O)O 62718015 HFXHKWAXMRNPHG-CYBMUJFWSA-N 282.409 2.049 10 40 CECB C/C=C/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1 56198726 XQOXPOXZPVUQDZ-MQQKCMAXSA-N 286.375 2.272 10 40 CECB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(N)cc1 38055374 OPSAOJQQKFKQBU-RISCZKNCSA-N 262.353 2.343 10 40 CECB O=C(O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 1297887 MGSYHFSSOOVWOY-NTMALXAHSA-N 293.369 2.363 10 40 CECB Nc1ccc(OCc2noc(C(F)(F)F)n2)cc1 226104518 MYNCHAXBKGNAHH-UHFFFAOYSA-N 259.187 2.250 10 40 CECB C/C(NCCc1ccccc1)=C1/SC(=S)NC1=O 239563104 WVHPTMMUEPAGJI-UHFFFAOYSA-N 278.402 2.198 10 40 CECB COc1ccc2c(c1O)CNC[C@@H]2c1ccc(O)cc1O 31689665 RKXZBTDNVYPQHD-LBPRGKRZSA-N 287.315 2.047 10 40 CECB O=C(O)[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 4409897 FVGRNYLHBYNHAI-YGOYTEALSA-N 260.249 2.133 10 40 CECB CCOC(=O)Cc1nnc2ccc(C(F)(F)F)cc2n1 16682902 XJWNKVWEPIBKDE-UHFFFAOYSA-N 285.225 2.149 10 40 CECB O=c1c(O)c(-c2ccccc2O)oc2c(O)c(O)ccc12 2573950 NDYHNWYIGCMVMF-UHFFFAOYSA-N 286.239 2.282 10 40 CECB biogenic O=Cc1n[nH]c2c3c(ccc12)C(=O)c1ccccc1C3=O 6188385 ZXYKROFELDKRCS-UHFFFAOYSA-N 276.251 2.151 10 40 CECB N[C@H]1C[C@H]2CCCC[C@@H]2C[C@]1(O)c1ccc(O)c(O)c1 5385392 CDYZURNKDCBCAG-XYPYXGAPSA-N 277.364 2.213 10 40 CECB CC(C)(C)c1cnc(Sc2ccc3nnnn3n2)s1 89725221 KYXCRNNWMFEIQQ-UHFFFAOYSA-N 292.393 2.425 10 40 CECB Cc1nc2c3c(ccc2[nH]c1=O)C(=O)c1ccccc1C3=O 16957978 CHJRTDIKLLMQPI-UHFFFAOYSA-N 290.278 2.007 10 40 CECB CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 297014 QLBLLPHHKLJIQF-SUNKGSAMSA-N 272.304 2.183 10 40 CECB CC1=NNC(=O)/C1=C/NCc1cccc(C(F)(F)F)c1 100151376 XELUCNDNGUBNLQ-YRNVUSSQSA-N 283.253 2.185 10 40 CECB Cc1cc(O)c(O)c2oc(=O)c3c(O)cc(O)cc3c12 14761026 LZRNPNMGYBWDKK-UHFFFAOYSA-N 274.228 2.077 10 40 CECB biogenic O=C1NC(=S)S/C1=C\c1cnn(-c2ccccc2)c1 7905017 DZBOJHSPQXHPEC-WDZFZDKYSA-N 287.369 2.361 10 40 CECB Cc1nn(C)c(C)c1C(=O)NCc1ccc(N(C)C)cc1 29980883 WMLXZPSQIZXXIM-UHFFFAOYSA-N 286.379 2.033 10 40 CECB NN[C@@H](c1ccccc1)c1ccc(N2CCOCC2)cc1 228933768 BNSVQBMXLLJRQJ-KRWDZBQOSA-N 283.375 2.076 10 40 CECB CCCN(c1ccc(OC)cc1OC)[C@H](C)C(=O)O 260677528 HGXBTFHWDMYOOY-SNVBAGLBSA-N 267.325 2.393 10 40 CECB CCNc1nc(NCC)nc(Oc2ccc(N)cc2)n1 494328 QIFUSUIZHYFJGC-UHFFFAOYSA-N 274.328 2.110 10 40 CECB O=C1O[C@@H](C2C(=O)c3ccccc3C2=O)C(Cl)=C1Cl 101463299 FZNQTLMZZMXJGX-LBPRGKRZSA-N 297.093 2.296 10 40 CECB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](O)CN=[N+]=[N-] 72207816 CYFDWIGNSXJDLH-DTWKUNHWSA-N 256.306 2.057 10 40 CECB C=CC(=O)NC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1 97056101 YPVHVUHFWZKIPC-UHFFFAOYSA-N 298.129 2.346 10 40 CECB Nc1ccc2c(c1S)C(=O)c1ccccc1C2=O 5336930 CYZMGNABIKQJTM-UHFFFAOYSA-N 255.298 2.333 10 40 CECB O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O)cc1O 15113824 CNABJBYLQABXJR-UHFFFAOYSA-N 290.271 2.030 10 40 CECB endogenous,in-man Nc1ccc(Cc2nc(-c3cccnc3)no2)cc1 19772025 BXDBQEJVHGENGC-UHFFFAOYSA-N 252.277 2.305 10 40 CECB Cc1ccccc1/C=C1/SC(N2CCOCC2)=NC1=O 126696 FORHIZHMGLXTOV-JLHYYAGUSA-N 288.372 2.298 10 40 CECB CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 4015008 UJMVVELPAAXJSB-TWGQIWQCSA-N 280.330 2.426 10 40 CECB NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 19472298 ZPAJVKGSUPURKS-SECBINFHSA-N 260.259 2.370 10 40 CECB in-vitro COCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 224491823 DAHIVFRVRJUBNY-CYBMUJFWSA-N 276.380 2.186 10 40 CECB Cc1ccc([N+](=O)[O-])c2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21 22204644 MDIZWWWSVVGOAJ-KKFJDGPESA-N 274.276 2.442 10 40 CECB COc1ccccc1CN1C[C@H](CN=[N+]=[N-])CC1=O 1889032743 SEQQPXZEUCBACI-JTQLQIEISA-N 260.297 2.354 10 40 CECB CCN(CC)c1ccc(CNn2cnnc2S)cc1 7365376 MEACYUSQJFHRBX-UHFFFAOYSA-N 277.397 2.157 10 40 CECB COc1cccc(CN(CCO)Cc2ccccc2)c1O 23017496 DMTNLTIVQZVMPS-UHFFFAOYSA-N 287.359 2.395 10 40 CECB COC(=O)/C=C1/SC(Nc2ccc(C)c(C)c2)=NC1=O 20394815 KFAVTDOSAUSJRK-YRNVUSSQSA-N 290.344 2.402 10 40 CECB [N-]=[N+]=NC[C@H]1CC(=O)N(CCc2cccs2)C1 2298151884 BNYLDDDTVUDWMC-SECBINFHSA-N 250.327 2.449 10 40 CECB Cc1nc(Cc2ccccc2)nc2sc(C(N)=O)c(O)c12 12409969 RHKFIQYYXIYBFL-UHFFFAOYSA-N 299.355 2.395 10 40 CECB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1C(C)(C)C 409189275 ONDYWDLBXMPFHG-XYOKQWHBSA-N 275.352 2.382 10 40 CECB COc1ccc(N2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 216766059 JNFDTHXSNGFMBV-AOOOYVTPSA-N 266.297 2.217 10 40 CECB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(N)cc1 20155129 UPQPDHDPXWXOBW-VXGBXAGGSA-N 262.353 2.437 10 40 CECB O=C(O)COc1ccccc1/C=C1/SC(S)=NC1=O 2536917 NVLJUKAUSGTIHG-WEVVVXLNSA-N 295.341 2.050 10 40 CECB Cc1ccc(/C=C2/SC(=S)N(CCN(C)C)C2=O)o1 14171038 CTUBLZSBKVZKCC-DHZHZOJOSA-N 296.417 2.351 10 40 CECB O=C(O)/C=C/c1cc2c3c(c1O)CCCN3CCC2 44201234 WWCTXMUDUSHFSL-AATRIKPKSA-N 259.305 2.189 10 40 CECB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(N)cc1 38055376 OPSAOJQQKFKQBU-BXUZGUMPSA-N 262.353 2.343 10 40 CECB CCOc1ccccc1NC=C1C(=O)OC(C)(C)OC1=O 100247384 UWFHXHPMVRCALT-UHFFFAOYSA-N 291.303 2.217 10 40 CECB Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)cc(C)c1O 1036343 VDBQUJVQQIHPQF-UHFFFAOYSA-N 276.288 2.229 10 40 CECB COc1cc(O)c2c(=O)c3ccc(O)c(O)c3oc2c1 14764384 JHOYIGDPCIBYKV-UHFFFAOYSA-N 274.228 2.072 10 40 CECB biogenic CC(C)(C)C(=O)NC(=S)Nc1ccc(N)cc1 226237746 IHOJVJAQGHPCLN-UHFFFAOYSA-N 251.355 2.128 10 40 CECB CC1=NN2C(=N)/C(=C\c3ccccc3)C(=O)N=C2S1 8665656 PFWSKOHBUDBTGS-BXOUXZMXSA-N 270.317 2.326 10 40 CECB COc1cccc(CNC(=O)Nc2cc(C)on2)c1O 57881806 REALNBNXWBUYAA-UHFFFAOYSA-N 277.280 2.019 10 40 CECB NC1=NN2C(=CS[C@@H]2c2ccccc2O)S1 59464813 YICRVQYJIAUFTF-SECBINFHSA-N 251.336 2.215 10 40 CECB CCCOc1cc(N2CCC(O)CC2)ccc1[N+](=O)[O-] 98095601 GNRWRWGFIYMFLT-UHFFFAOYSA-N 280.324 2.345 10 40 CECB in-vitro COc1cc(N)ccc1N1C(=O)c2ccccc2C1=O 570492 JHQOOQQWNPWAKG-UHFFFAOYSA-N 268.272 2.078 10 40 CECB CCCOc1ccc(N2CCOCC2)cc1C(=O)O 14000368 KOHAFJIRGJDLHN-UHFFFAOYSA-N 265.309 2.010 10 40 CECB in-vitro COc1ccc2nc(/N=N/NC(N)=S)sc2c1 27586936 LMJQACOKCOBMJD-UHFFFAOYSA-N 267.339 2.137 10 40 CECB C[C@H]1CN(C(=O)/C=C/c2ccc(N(C)C)cc2)C[C@@H](C)O1 29107202 MBXGTLPJLSGQJD-GIMQENDZSA-N 288.391 2.402 10 40 CECB CCCN1C(=O)N/C(=C/c2cc(C)n(CC)c2C)C1=O 409220935 HZHVKYARRXPUIA-UKTHLTGXSA-N 275.352 2.428 10 40 CECB CCOC(=O)CC1CCN(c2ccc(N)cc2)CC1 1384107 WIKWPYFFKLRAIF-UHFFFAOYSA-N 262.353 2.438 10 40 CECB COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O 40979343 JAAWVSLYMPCCOD-UHFFFAOYSA-N 288.255 2.149 10 40 CECB biogenic CCOC(=O)C1=C(C)NC(=O)/C1=C\c1cccs1 13602917 QPZUKUNDNVPAON-YFHOEESVSA-N 263.318 2.098 10 40 CECB Cc1nc(Nc2ccc(N)cc2)cc(-n2ccnc2)n1 206579270 NRVPSKRRQKMIST-UHFFFAOYSA-N 266.308 2.297 10 40 CECB CN(C)c1ccc(CNC(=O)c2cccn2C)cc1 32741127 ZJLNQHPAWWLGRZ-UHFFFAOYSA-N 257.337 2.021 10 40 CECB CCCCN(Cc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 575420158 GMFGSDGYWUTSMW-HNNXBMFYSA-N 296.436 2.058 10 40 CECB C=C1SC(=S)N(CNc2ccccc2)C1=O 7468026 OONWNBHQBNXYOA-UHFFFAOYSA-N 250.348 2.430 10 40 CECB O=C1N=C(N2CCCC2)S/C1=C\c1cccnc1 5590641 LZEUIXUHOFHIIQ-FLIBITNWSA-N 259.334 2.148 10 40 CECB COc1ccc(N2CCN[C@@H]3CCCC[C@@H]32)c(OC)c1 225713103 MRKMHLBYXHQCOE-KGLIPLIRSA-N 276.380 2.425 10 40 CECB Cc1ccc(/N=N/c2c(N)nc(N)nc2N)cc1C 18042924 GUZGCSYLBWURRL-VHEBQXMUSA-N 257.301 2.255 10 40 CECB Cc1cccc(C)c1/N=N\c1c(N)nc(N)nc1O 104125413 LQQIBVDFOJVUJG-ZCXUNETKSA-N 258.285 2.379 10 40 CECB CC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1O 32163 VHYOTELTDDKRNU-HNNXBMFYSA-N 297.314 2.010 10 40 CECB CCn1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cn1 96118965 MXGYRJPPIZKRKT-WQLSENKSSA-N 290.392 2.359 10 40 CECB CN(C)c1ccc(/C=C2\SC(=S)NC2=O)s1 12624258 DZGVNMQALFEYRG-ALCCZGGFSA-N 270.404 2.303 10 40 CECB CN(Cc1ccccc1O)C(=O)Cc1ccc2c(c1)OCO2 50172713 ZYBXYGSBFIUHQE-UHFFFAOYSA-N 299.326 2.322 10 40 CECB O=C1[C@H](NCc2ccccc2O)CCN1Cc1ccccc1 78394192 HCTXLPGSPZILRM-MRXNPFEDSA-N 296.370 2.283 10 40 CECB Cn1c(-c2ccc(O)c(O)c2)cs/c1=N\c1ccn[nH]1 101723539 QZIHOUQJVZQILN-SQFISAMPSA-N 288.332 2.120 10 40 CECB CN1CCCCC/C1=C1/C(=O)N(c2ccccc2)N=C1N 103299185 AASYSIGQHMGSGZ-YPKPFQOOSA-N 284.363 2.065 10 40 CECB O=C1NC(=S)N/C1=C/c1ccc(N2CCCCC2)cc1 450574 YMMQNGUEXVOSRM-JLHYYAGUSA-N 287.388 2.022 10 40 CECB O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1)[C@H]2[N+](=O)[O-] 5604397 CEODTYJEKGBWSD-UONOGXRCSA-N 293.278 2.495 10 40 CECB COC(=O)/C=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1 33378677 XGPFOAPFJIMDRS-ALCCZGGFSA-N 276.292 2.381 10 40 CECB O=C1NC(=S)S/C1=C/NCc1cccc(Cl)c1 20032657 QBVOWOAKDXCTME-RMKNXTFCSA-N 284.793 2.419 10 40 CECB CC(=O)c1cc(C(=O)NCc2ccc(N(C)C)cc2)n(C)c1 52990662 LHRVRPMFWQWZAE-UHFFFAOYSA-N 299.374 2.224 10 40 CECB Cc1nc2c(C(=O)O)c(C)nn2c(O)c1Cc1ccccc1 103795330 DCPFWQVIBPRJEV-UHFFFAOYSA-N 297.314 2.341 10 40 CECB O=C1N=C(NC2CCCCC2)S/C1=C/c1csnn1 48341712 RTMYSRWZEUNABQ-UXBLZVDNSA-N 294.405 2.431 10 40 CECB O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12 57844 ARYCMKPCDNHQCL-UHFFFAOYSA-N 286.239 2.282 10 40 CECB biogenic,in-vivo Nc1ccc(CCCC(=O)NCc2cccnc2)cc1 13283690 IZFLKCPFDFHJLK-UHFFFAOYSA-N 269.348 2.303 10 40 CECB O=C(O)[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@@H]12 17241445 MUJMYRTUDRUYBU-LPBBDHJYSA-N 260.249 2.133 10 40 CECB CCOC(=O)c1sc2nc(C(C)=O)ccc2c1N 127864 YUSVJLGKJRYGMF-UHFFFAOYSA-N 264.306 2.258 10 40 CECB COc1cccc(CNC(=O)Nc2nccs2)c1O 69216887 RBRDNLFOZDHOLG-UHFFFAOYSA-N 279.321 2.179 10 40 CECB CC1=CC2=NC(=O)/C(=C/c3ccc(C)o3)C(=N)N2O1 41078280 XQHPPEIWHGKVSP-YWSDZNPGSA-N 257.249 2.038 10 40 CECB C[C@H](NCc1ccc2c(c1)CCO2)c1nnc2n1CCCC2 95402023 BYAZKKHORKBOMA-LBPRGKRZSA-N 298.390 2.400 10 40 CECB O=C1c2cccc(O)c2C(=O)c2nc3ccccc3nc21 66091791 WBLICCUHMBGUCI-UHFFFAOYSA-N 276.251 2.111 10 40 CECB COCC(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 260837062 DAHIVFRVRJUBNY-ZDUSSCGKSA-N 276.380 2.186 10 40 CECB CC(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccccc1O 32164 VHYOTELTDDKRNU-OAHLLOKOSA-N 297.314 2.010 10 40 CECB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(O)CN=[N+]=[N-] 72207959 CSAQZOOOIYHMAO-BXKDBHETSA-N 270.333 2.447 10 40 CECB COc1cc(Cl)c(N2CCOCC2)c([N+](=O)[O-])c1 45957698 AZPYAPSUNTZLOV-UHFFFAOYSA-N 272.688 2.093 10 40 CECB O=C1C(=O)[C@@H](c2ccccc2)C(=O)[C@@H]1c1ccccc1 100021013 OHQNFRSPZUPPSG-KBPBESRZSA-N 264.280 2.275 10 40 CECB COc1ccc(N2CCC(NC(=O)NC3CC3)CC2)cc1 69595879 KTAZISDREOQXDO-UHFFFAOYSA-N 289.379 2.126 10 40 CECB CC(C)N1CC[C@H](NCc2ccc3c(c2)CCO3)C1 78553030 YZBKJSFJQSXOIA-HNNXBMFYSA-N 260.381 2.194 10 40 CECB CC(C)NC(=O)CNCc1ccc(N2CCCCC2)cc1 57801332 GSAKXKONLZPIQM-UHFFFAOYSA-N 289.423 2.291 10 40 CECB O=C1OCC[C@H]1N1CCCc2cc(OC(F)F)ccc21 84490041 MENKSAMTGJSTGX-GFCCVEGCSA-N 283.274 2.356 10 40 CECB O=C(NCCc1ccc(O)c(O)c1)c1ccc(F)cc1 8378791 NFGOPMJNICNVAV-UHFFFAOYSA-N 275.279 2.209 10 40 CECB CC1=NNC(=O)/C1=C/c1c(C)n(C)c2ccccc12 583015 NHATXVPCEOZNHI-XYOKQWHBSA-N 253.305 2.376 10 40 CECB Cc1ccc(/N=N\c2c(N)nc(N)nc2N)cc1C 104094910 GUZGCSYLBWURRL-HNENSFHCSA-N 257.301 2.255 10 40 CECB CN1C(=O)/C(=C\c2cn(C)c3ccccc23)C(O)=NC1=S 13686046 FPMWHFGJPSJZHO-XFFZJAGNSA-N 299.355 2.275 10 40 CECB CCOc1cccc([C@@H]2NC(=O)c3cccnc3N2)c1O 65607434 QOBRTILAKHCAAJ-AWEZNQCLSA-N 285.303 2.040 10 40 CECB CCOC(=O)[C@H]1Nc2c(O)cccc2[C@H]2C=CC[C@@H]12 35598496 VTFJMPZCUSAADD-UDZFHETQSA-N 259.305 2.409 10 40 CECB CCc1nnsc1C(=O)NCc1ccc(N(C)C)cc1 32741132 KENXSRNRXLLNOO-UHFFFAOYSA-N 290.392 2.097 10 40 CECB COc1ccc(N2CCN(c3nccs3)CC2)cc1 3339938 VICUOWZABAUJIF-UHFFFAOYSA-N 275.377 2.478 10 40 CECB COc1cc(N2CCN[C@H]3CCC[C@@H]32)cc(OC)c1OC 225717607 VCDCMXDZYLMONE-STQMWFEESA-N 292.379 2.043 10 40 CECB C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCS1 69848814 ZAUBIWMSFDZBNL-SECBINFHSA-N 268.338 2.238 10 40 CECB Oc1cc2c(cc1O)[C@H](c1ccccc1O)NCC2 19691286 FARIHBUZAZGBAM-HNNXBMFYSA-N 257.289 2.039 10 40 CECB C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)O1 27331318 AUUYEGARRSUMMT-BETUJISGSA-N 291.395 2.071 10 40 CECB CCCN[N+](CCC)=Nn1c(C)nc2ccccc2c1=O 408822223 IPYHXCVQWKSVKR-UHFFFAOYSA-N 288.375 2.257 10 40 CECB CNC(=O)CSc1ncc(-c2ccc(C)cc2)n1C 10347240 DYQFWYXRPIRGQV-UHFFFAOYSA-N 275.377 2.234 10 40 CECB O[C@H]1Cc2ccccc2[C@@H]1NCc1ccc2c(c1)CCO2 85334667 ARYPKHFKGBTWBN-WMZOPIPTSA-N 281.355 2.369 10 40 CECB CN1C=CC(=C(O)N=NC(=O)c2cccnc2)C=C1 334161286 YIHXMUYUISYCAO-UHFFFAOYSA-N 256.265 2.416 10 40 CECB COc1cccc(CN2C[C@@H](CN=[N+]=[N-])CC2=O)c1 1889032728 GNBWISZDQHJEAC-LLVKDONJSA-N 260.297 2.354 10 40 CECB c1cc(CNCc2ccc(N3CCCC3)cc2)n[nH]1 41015334 DEQRVVLRMOEURS-UHFFFAOYSA-N 256.353 2.300 10 40 CECB COc1cccc(CNc2ccc(C(N)=O)cc2)c1O 19911427 UXPSLQHMASYNBK-UHFFFAOYSA-N 272.304 2.112 10 40 CECB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)[nH]1 33675757 XDJNQHRQZWBUHN-ZROIWOOFSA-N 281.315 2.093 10 40 CECB CN(C)c1ccc([C@H](N)CC(=O)O)c2ccccc12 44216327 FCNYTXHQHPRBFQ-CYBMUJFWSA-N 258.321 2.380 10 40 CECB CCCCN1C(=O)N=C(O)/C(=C/c2cccn2C)C1=O 9044255 ZLVPCZBJJVKNHZ-LUAWRHEFSA-N 275.308 2.127 10 40 CECB CSC1=NC(=O)/C(=C/c2cn(C)nc2C)S1 20607913 CMWDSXAJKQUTJR-YWEYNIOJSA-N 253.352 2.062 10 40 CECB CN(C)c1ccc(CNC(=O)[C@@H](N)c2ccccc2)cc1 40825839 LCZNFOPVUAPTRR-INIZCTEOSA-N 283.375 2.069 10 40 CECB CC(C)c1cc(CNCc2ccc(O)cc2O)n(C)n1 256054985 YQPJABFBCJWIJI-UHFFFAOYSA-N 275.352 2.245 10 40 CECB CCCS(=O)(=O)N(C)[C@@H](C)c1ccccc1O 38089850 IEOPTPZJJRHOKL-JTQLQIEISA-N 257.355 2.125 10 40 CECB CC(=O)c1ccc(N2C(=O)CSC2=S)cc1 1045724 QFRGPDUNUSKFGV-UHFFFAOYSA-N 251.332 2.254 10 40 CECB O=C(NC1=NN(c2ccccc2)C(=O)C1)C1CCCCC1 6864326 LIIALIDJXFETDP-UHFFFAOYSA-N 285.347 2.433 10 40 CECB O=C1N[C@@H](c2cc(Cl)ccc2O)Nc2ncccc21 69417879 NAHPSNUENFPZIM-LBPRGKRZSA-N 275.695 2.295 10 40 CECB O=C1N=C(O)/C(=C/c2ccco2)C(=O)N1Cc1ccco1 8767752 FNDMBWGHASKADA-XFFZJAGNSA-N 286.243 2.375 10 40 CECB O=C1NC(=S)N/C1=C\c1ccc(N2CCCCC2)cc1 2998490 YMMQNGUEXVOSRM-RAXLEYEMSA-N 287.388 2.022 10 40 CECB Nc1ccc(CC(=O)Nc2ccc3oc(O)nc3c2)cc1 37040044 ULBHNJFFGIHFIZ-UHFFFAOYSA-N 283.287 2.297 10 40 CECB C[C@H](O)[C@H]1CCCN(Cc2cc(F)ccc2O)C1 225614355 LZBYHXMNTYBGNE-QWRGUYRKSA-N 253.317 2.124 10 40 CECB CCc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12 2359688 RARZFUFPUFBUEE-UHFFFAOYSA-N 261.321 2.431 10 40 CECB COc1ccc(N2CCN(c3cc(C)nc(C)n3)CC2)cc1 44711340 QTWRODONGBJWSF-UHFFFAOYSA-N 298.390 2.429 10 40 CECB COc1ccc(N2CCN(C(=O)NCC(C)C)CC2)cc1 9379231 BKQDSSHZIXHORL-UHFFFAOYSA-N 291.395 2.183 10 40 CECB O=C1c2ccccc2C(=O)c2c1nc1sccn21 13207721 CXIXCKZVDMEUJI-UHFFFAOYSA-N 254.270 2.171 10 40 CECB O=c1[nH]n2c(=O)c3c([nH]c2c1/N=N/c1ccccc1)CCC3 103674830 NAESCOIQDLEDTA-ISLYRVAYSA-N 295.302 2.220 10 40 CECB Cc1nc(C(=O)NCc2ccc(N(C)C)c(C)c2)c[nH]1 72287591 JCKULUNFLAVZHX-UHFFFAOYSA-N 272.352 2.023 10 40 CECB COc1ccccc1[C@@H]1NCCc2cc(O)c(O)cc21 3723131 DVLHYBOBPDUWGR-INIZCTEOSA-N 271.316 2.342 10 40 CECB COc1ccnc(NCc2ccc(N(C)C)cc2)n1 9155934 NKCKYLGOKBDKGW-UHFFFAOYSA-N 258.325 2.163 10 40 CECB CC1(C)[C@@H]2CC[C@]1(C(=O)Nc1ccccc1)C(=O)C2=O 100920134 WKNPGGNYBCWCAL-BDJLRTHQSA-N 271.316 2.200 10 40 CECB Cc1cccc(C)c1NC(=O)C[C@@H]1SC(=S)NC1=O 34926839 PTUFKQHVRUMTOR-VIFPVBQESA-N 294.401 2.149 10 40 CECB CCNC(=O)CCNCc1ccc(N(CC)CC)cc1 19737027 QPIYEANJOIYTTO-UHFFFAOYSA-N 277.412 2.149 10 40 CECB CCCCN(Cc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1 575420159 GMFGSDGYWUTSMW-OAHLLOKOSA-N 296.436 2.058 10 40 CECB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 36386389 MKBJGJYXWRRFHP-UHFFFAOYSA-N 290.250 2.370 10 40 CECB Cc1noc(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 97098100 XGTMBRDYEVNBAA-QMMMGPOBSA-N 290.319 2.064 10 40 CECB COC[C@H](O)Cn1ccnc1/N=N\c1ccccc1 102911464 PZKUHGODJAIVES-KXEGMRRWSA-N 260.297 2.306 10 40 CECB CN1c2ccccc2S[C@H]2C=CC(CC(N)=O)=C[C@@H]21 48024920 GWRSFAVGQQCELY-JSGCOSHPSA-N 272.373 2.337 10 40 CECB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(F)(F)F 97098098 GNUCJDWXAHFCSR-QMMMGPOBSA-N 291.269 2.488 10 40 CECB COc1ccc(C2=N/C(=C3\CCCCCN3)C(=O)O2)cc1 6646868 BGCQJYHZPIZBMY-BUHFOSPRSA-N 286.331 2.374 10 40 CECB CC(=O)Nc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 1024484 DTJLVQSTOOKKSC-YRNVUSSQSA-N 292.385 2.476 10 40 CECB O=C1c2cccnc2C(=O)c2c1c(O)c1ccccc1c2O 103979760 RJBNYPKWJNBAAQ-UHFFFAOYSA-N 291.262 2.421 10 40 CECB Cc1cccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c1 13343674 DENZGZYPQYLMFP-POHAHGRESA-N 293.369 2.281 10 40 CECB CN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S 15011511 OOAYFYAZGPCSAK-WEVVVXLNSA-N 296.329 2.131 10 40 CECB CCOc1ccc(/N=N\c2c(N)nc(N)nc2O)cc1 104125357 QLVZKEZOATXCBJ-ZCXUNETKSA-N 274.284 2.161 10 40 CECB CCc1ccccc1NC=C1C(=O)OC(C)(C)OC1=O 215636 ITHYOXKOGMABMN-UHFFFAOYSA-N 275.304 2.381 10 40 CECB OCCN(CCO)c1ccc(OCc2ccccc2)cc1 1724321 FCFFDRNWCKNYBW-UHFFFAOYSA-N 287.359 2.057 10 40 CECB O=C1c2ccccc2C(=O)C12[C@@H]([N+](=O)[O-])[C@@H]2c1ccccc1 5604386 CEODTYJEKGBWSD-KBPBESRZSA-N 293.278 2.495 10 40 CECB Cn1c(Cl)cnc1[C@H]1CC(c2ccccc2O)=NN1 494839 MCCSMFRLGURJQH-SNVBAGLBSA-N 276.727 2.218 10 40 CECB Oc1c(Br)cccc1CNC[C@H]1CCCO1 42411725 PHRZHHBAKQTFGT-SNVBAGLBSA-N 286.169 2.423 10 40 CECB COc1ccc(OCC(=O)Nc2ccc(N)cc2)cc1 19736312 FCADQZORRVYQOH-UHFFFAOYSA-N 272.304 2.295 10 40 CECB C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCS1 69848817 ZAUBIWMSFDZBNL-VIFPVBQESA-N 268.338 2.238 10 40 CECB CC(=O)O[C@@H]1C=CC[C@@H]2C(=O)c3ccccc3C(=O)[C@H]21 255189316 PDHNFPLKSCJFCX-BFHYXJOUSA-N 270.284 2.190 10 40 CECB O=C1NN=C/C1=C/Nc1cccc(C(F)(F)F)c1 100408039 YVCHBFPVMREYHP-ALCCZGGFSA-N 255.199 2.117 10 40 CECB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\NO 95471450 NLDBXTAJSYACGQ-POHAHGRESA-N 265.700 2.234 10 40 CECB O=C(O)c1nc(/N=N\c2ccccc2)[nH]c1C(=O)O 17286482 FNLIQOLPTIMLOZ-PFONDFGASA-N 260.209 2.222 10 40 CECB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](O)CN=[N+]=[N-] 72207825 GNVJJIMFMQNOJB-ZJUUUORDSA-N 270.333 2.447 10 40 CECB O=C1NN(c2ccccc2)C(=O)C1=Cc1ccc(F)cc1 2049269218 OANYBHUUBYIOSA-UHFFFAOYSA-N 282.274 2.287 10 40 CECB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 21804465 NRWSPBARUKVJQD-VXGBXAGGSA-N 282.409 2.077 10 40 CECB C[C@H](NN)c1cc(Cl)cc(Br)c1O 199536290 QLCIINOLNUSCRM-BYPYZUCNSA-N 265.538 2.332 10 40 CECB O=C(O)[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@H]12 103114935 MUJMYRTUDRUYBU-QOSJWCAFSA-N 260.249 2.133 10 40 CECB O=C(O)CN1C(=O)/C(=C/c2ccsc2)SC1=S 1059560 NHEGFDYEVYVPKD-CLTKARDFSA-N 285.371 2.034 10 40 CECB O=C1c2ccccc2C(=O)N1N=[N+]([O-])c1ccccc1 104229968 VCSZKWFRMNXZLS-UHFFFAOYSA-N 267.244 2.492 10 40 CECB O=S(=O)(O)c1ccc(/N=N/N2CCCC2)cc1 1805513 GDHZCSHUUCYNHZ-VAWYXSNFSA-N 255.299 2.028 10 40 CECB C[C@@H]1CN(C(=O)/C=C/c2ccc(N(C)C)cc2)C[C@@H](C)O1 29107200 MBXGTLPJLSGQJD-JRNZPDHYSA-N 288.391 2.402 10 40 CECB CN(C)c1ccc(CNC(=O)/C=C/c2ccncc2)cc1 32246869 SWTANUMLOHIORU-VMPITWQZSA-N 281.359 2.477 10 40 CECB CN1C(=O)[C@@H](/N=N\c2ccc([N+](=O)[O-])cc2)SC1=S 56897649 HHLAJTWCKSBJFA-WYNUBKAASA-N 296.333 2.495 10 40 CECB in-man COc1ccc(CN2C(=O)CSC2=S)cc1 6585822 FYRGOLXXEJTDLT-UHFFFAOYSA-N 253.348 2.056 10 40 CECB O=[N+]([O-])c1ccc(O)c(C2=NN[C@@H](c3cccnc3)C2)c1 35026067 ATBGKGJXFHDSQM-GFCCVEGCSA-N 284.275 2.134 10 40 CECB CC[C@@H](N=[N+]=[N-])C(=O)NCCc1ccc(OC)c(OC)c1 2298165417 FUMLRGJDRRDBQI-LLVKDONJSA-N 292.339 2.451 10 40 CECB O=C1NN=C/C1=C/Nc1ccc(Cl)cc1Cl 95921838 NBQKQEBCJKDAML-XQRVVYSFSA-N 256.092 2.405 10 40 CECB COc1cccc(/C=C2/SC(=S)N(C)C2=O)c1O 12367861 USAKTIWMLFERHU-RMKNXTFCSA-N 281.358 2.232 10 40 CECB COc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3C)CC2)cc1 65488148 JWKZPHMORIMDDJ-WBMJQRKESA-N 288.391 2.436 10 40 CECB CCCNC(=O)NCc1ccc(N2CCCC2)cc1 47676230 VRVVUSXEOLIYAM-UHFFFAOYSA-N 261.369 2.496 10 40 CECB Oc1c(Cl)cc(Cl)cc1CNn1cnnc1 553255 BRTUSYUVUGWYTG-UHFFFAOYSA-N 259.096 2.034 10 40 CECB CC1=NC(=S)N(N)C(=O)[C@@H]1/N=N\c1ccc(Cl)cc1 100643918 QGAKLEAAOGRIQA-FFZUDHDGSA-N 295.755 2.254 10 40 CECB CC1=CC2=NC(=O)/C(=C/c3cccs3)C(=N)N2O1 13540626 LQENOSZPFHFJEF-BTWWVKSVSA-N 259.290 2.198 10 40 CECB Cc1cc(CN2CCC[C@@H](O)C2)c(C)n1-c1ccccn1 72397835 NXWCODSXGGBWTE-MRXNPFEDSA-N 285.391 2.446 10 40 CECB CCCCC(=O)NC(=S)Nc1ccc(N)cc1 6240641 XXLIHZIYUNSWPY-UHFFFAOYSA-N 251.355 2.272 10 40 CECB CC(=O)[C@H]1C(=O)c2ccc(Br)cc2C1=O 34663 NFYXKOHGTLUDOU-VIFPVBQESA-N 267.078 2.033 10 40 CECB O=C(NCCc1ccc(O)c(O)c1)c1cccs1 6528213 YKDZBRZOVIKXKD-UHFFFAOYSA-N 263.318 2.132 10 40 CECB CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 409026078 FPMGKUJOXQFOSW-YHYXMXQVSA-N 296.735 2.152 10 40 CECB Nc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 19277153 NZAYDVJOUKNDSZ-UHFFFAOYSA-N 260.268 2.425 10 40 CECB Cc1ccc(O)c(C2=NNC(=O)[C@@H]3CCCC[C@H]23)c1 5542429 LWAHYQACONHMBQ-WDEREUQCSA-N 258.321 2.341 10 40 CECB Cc1noc(C)c1CCCNC(=O)c1ccc(O)c(O)c1 97235039 AKMDJIRPSAXGGP-UHFFFAOYSA-N 290.319 2.065 10 40 CECB O=C1N[C@H](c2cc(Cl)ccc2O)Nc2ncccc21 69417880 NAHPSNUENFPZIM-GFCCVEGCSA-N 275.695 2.295 10 40 CECB O=C1c2ccccc2C(=O)c2c1c(C(=O)O)c1ccccn21 1609684 IWTDBHRFVHGMBT-UHFFFAOYSA-N 291.262 2.413 10 40 CECB biogenic CN1/C(=C2/SC(=S)N(N)C2=O)Sc2ccccc21 2067924 OQRVOHCTNYTDTH-NTMALXAHSA-N 295.414 2.132 10 40 CECB Oc1ccc(-c2cnc3ccccc3n2)c(O)c1O 4770553 HIKSBYGRGIYCDZ-UHFFFAOYSA-N 254.245 2.414 10 40 CECB O=C(O)[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]21 4320373 MUJMYRTUDRUYBU-VFWDIBGWSA-N 260.249 2.133 10 40 CECB CN/C=C1\SC(=S)N(c2ccccc2)C1=O 618254614 FRDFISMMGBAJIG-CLFYSBASSA-N 250.348 2.112 10 40 CECB CN(C)c1ccc(CNC(=O)COc2ccccc2)cc1 12545169 LHCZGUGBPGPGBA-UHFFFAOYSA-N 284.359 2.448 10 40 CECB COc1cccc(CNCCc2ccccn2)c1O 19916609 QRMQSWRXUQGQRZ-UHFFFAOYSA-N 258.321 2.128 10 40 CECB Nc1ccc(Cn2cnc(-c3nc(C4CC4)no3)c2)cc1 72221256 IYBSDNXJYJCBMU-UHFFFAOYSA-N 281.319 2.441 10 40 CECB O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 118040 JXIVBOLOHGUYQW-UHFFFAOYSA-N 295.291 2.355 10 40 CECB CC1=NN2C(=N)/C(=C/c3cccs3)C(=O)N=C2S1 5006714 ULJOAUPOQOZVNW-GPSNRAOPSA-N 276.346 2.387 10 40 CECB CC(=O)N1CCC(NCCCSc2nccs2)CC1 79053251 MTGUOELJCNYSOH-UHFFFAOYSA-N 299.465 2.226 10 40 CECB CC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 6055521 GYMYESRNNJDMAP-UHFFFAOYSA-N 258.306 2.187 10 40 CECB NC(=O)c1[nH]c(/N=N/c2ccc(Cl)cc2)nc1N 18125750 REKBNQGJBOPNQE-WUKNDPDISA-N 264.676 2.160 10 40 CECB CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)SC1=S 975240 RSDAIFDMYJJCDQ-XQRVVYSFSA-N 270.291 2.019 10 40 CECB c1cc2c(cc1CNCc1nnc3n1CCCCC3)CCO2 54153037 YYHWBIXVTMJDCC-UHFFFAOYSA-N 298.390 2.229 10 40 CECB CSc1ccc(/C=C2/SC(N)=NC2=O)cc1 3353663 ZXKBBFNUDYWPMX-RMKNXTFCSA-N 250.348 2.338 10 40 CECB CCC(=O)c1ccc(/N=N/c2c(N)nc(N)nc2N)cc1 18120463 FAIRSUPDYBJXBG-FMQUCBEESA-N 285.311 2.231 10 40 CECB [N-]=[N+]=NC[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 1888990282 JZROPEKICZXKIN-SNVBAGLBSA-N 274.280 2.074 10 40 CECB CC1=NN2C(=N)/C(=C/c3ccc(F)cc3)C(=O)N=C2S1 5538309 VLNUSCYXNGQMNY-JZSRCMMISA-N 288.307 2.465 10 40 CECB CC(=O)O[C@@H]1C=CC[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]21 39220854 PDHNFPLKSCJFCX-MJBXVCDLSA-N 270.284 2.190 10 40 CECB CCC[C@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H]2C 136617193 ZCONBBWTQITBLX-QPPBUOOMSA-N 272.308 2.089 10 40 CECB CCOc1ccc(C(=O)c2ccc(O)c(O)c2O)cc1 3203922 VYIBOCHDJVESIU-UHFFFAOYSA-N 274.272 2.433 10 40 CECB biogenic,in-vitro O=C1NN(c2ccc(F)cc2)C(=O)/C1=C/c1cccs1 368293 JEITXJUBDOIWJN-XYOKQWHBSA-N 288.303 2.349 10 40 CECB Oc1ccc([C@@H]2NCCc3cc(O)c(O)cc32)cc1 16401293 KBAMCVSRYDRUDD-HNNXBMFYSA-N 257.289 2.039 10 40 CECB CC(=O)N[C@@H](CS/N=N/c1ccc(C)cc1)C(=O)O 16948513 DXCZQHVBZLKTTE-AKCBPTIMSA-N 281.337 2.316 10 40 CECB CCN1C(=O)/C(=C/NCc2ccco2)SC1=S 101073930 RUEKJRMQKBJECH-CLFYSBASSA-N 268.363 2.091 10 40 CECB COC(=O)c1ccccc1NC(=O)Cc1ccc(N)cc1 20185810 OPRRSOMQVDVJTF-UHFFFAOYSA-N 284.315 2.237 10 40 CECB Cc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1 3165774 QCMGUPCNKXGAHM-UHFFFAOYSA-N 261.277 2.127 10 40 CECB biogenic Cc1cc(O)c(CN2CCN(c3cnccn3)CC2)cc1C 26662024 IAOUVNKLKSAKKE-UHFFFAOYSA-N 298.390 2.121 10 40 CECB O=C1Nc2ccccc2[C@]12NN=C(c1ccccc1O)S2 94309 RNFUTSZNDACRPE-OAHLLOKOSA-N 297.339 2.195 10 40 CECB Nc1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1 19966135 MYGAIPWRGDOIEY-UHFFFAOYSA-N 270.288 2.179 10 40 CECB CCn1c(-c2ccccc2)cnc1SCC(N)=O 420664 BRXDZPWKRYDONC-UHFFFAOYSA-N 261.350 2.147 10 40 CECB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2O 27184738 FQSVHXTWOJFLKT-UHFFFAOYSA-N 263.252 2.450 10 40 CECB C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccn1 96012623 NYZWPPXTXWPRLZ-SNVBAGLBSA-N 287.319 2.246 10 40 CECB CC[C@H](C)NC(=O)N1CCN(c2ccc(OC)cc2)CC1 39971680 IANWQFWNWMINAW-ZDUSSCGKSA-N 291.395 2.325 10 40 CECB NC1=NC(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])S1 5649723 HQJURLKCMMBMLG-JEFLAVHQSA-N 275.289 2.080 10 40 CECB CC[C@@H](NC(=O)C[C@H](O)C(C)C)c1ccccc1O 95445912 MTDCZMJNEHOSRL-OCCSQVGLSA-N 265.353 2.367 10 40 CECB COC(=O)c1ccc(N(C)CCC(=O)CN=[N+]=[N-])cc1 104087940 SZNNXGNNRJDMLC-UHFFFAOYSA-N 276.296 2.179 10 40 CECB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1Cc1ccccc1 409060217 YLXXLLRNZVZOCW-OQLLNIDSSA-N 295.342 2.334 10 40 CECB CN(C)c1ccc(C(NN)c2ccc(N(C)C)cc2)cc1 199547300 FEXSQQUHRCJTIE-UHFFFAOYSA-N 284.407 2.371 10 40 CECB NC1=NC(=O)/C(=C/c2cc(O)ccc2Br)S1 5631118 KQYUQPXTMQZNCM-YWEYNIOJSA-N 299.149 2.084 10 40 CECB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(N)cc1 20155133 UPQPDHDPXWXOBW-RYUDHWBXSA-N 262.353 2.437 10 40 CECB Cc1cccc2c1N[C@H](c1ccc(O)c(O)c1)NC2=O 48304157 QVHXCUPFYWHVLF-AWEZNQCLSA-N 270.288 2.260 10 40 CECB CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 12936079 UJMVVELPAAXJSB-RMKNXTFCSA-N 280.330 2.426 10 40 CECB COC(=O)c1sc(OC)c(Br)c1O 39294860 ZBXVXAACBFBICA-UHFFFAOYSA-N 267.100 2.011 10 40 CECB Cc1nc2ccccc2c(=O)n1-c1ccc(N)cc1 2230211 SFPYLVILXJIMJC-UHFFFAOYSA-N 251.289 2.276 10 40 CECB O=C1NC(=S)S/C1=C\Nc1ccc(F)cc1 584906198 AFEFCMCEDVEKPW-YVMONPNESA-N 254.311 2.227 10 40 CECB COCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1C 100422999 ZWFSBXKOJGDOEP-UVTDQMKNSA-N 291.326 2.058 10 40 CECB COc1ccc(N2CCN(C(=O)CCSC)CC2)cc1 32976285 WCNQZAQZDBLMOQ-UHFFFAOYSA-N 294.420 2.097 10 40 CECB OCCCNCc1cc(Cl)cc(Cl)c1O 20188189 YWDMPRSRAXVNBU-UHFFFAOYSA-N 250.125 2.171 10 40 CECB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 293662 MAHHEUJIITYGOD-UHIISALHSA-N 257.289 2.428 10 40 CECB COC(=O)c1ccc(NC(=O)c2ccsc2N)cc1 6640485 BJSQQJCYPVJESS-UHFFFAOYSA-N 276.317 2.369 10 40 CECB Cn1nnnc1CNc1ccccc1C(=O)c1ccccc1 252499658 SDRLKDRMCRRASU-UHFFFAOYSA-N 293.330 2.053 10 40 CECB CN1C(=O)/C(=C\c2ccccc2O)SC1=S 5319677 TZKNKVSXJSTKDZ-RMKNXTFCSA-N 251.332 2.223 10 40 CECB O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccccn1 101268508 AQFIVCPGOVLAOJ-UHFFFAOYSA-N 288.303 2.138 10 40 CECB CC1(C)OC(=O)C(=Cc2cccc(F)c2)C(=O)O1 1624803 ZIOFMTAMKDOTKX-UHFFFAOYSA-N 250.225 2.045 10 40 CECB Cc1ccc(/N=N\c2c(N)nc(N)nc2O)cc1C 104090985 FCHDBYLTKFQLQO-ZCXUNETKSA-N 258.285 2.379 10 40 CECB Cc1cc([N+](=O)[O-])cc2c1N[C@@H](C(=O)O)[C@@H]1CC=C[C@H]21 4132373 FQMGHDYQCQVRST-OPQQBVKSSA-N 274.276 2.442 10 40 CECB CCOC(=O)[C@@H]1CCCN(Cc2cccc(OC)c2O)C1 4575461 MNYDLODUPHUFAU-CYBMUJFWSA-N 293.363 2.176 10 40 CECB COc1ccc([C@@H]2NCCc3cc(O)c(O)cc32)cc1 3723069 ZZWDDMRVGNYDGT-INIZCTEOSA-N 271.316 2.342 10 40 CECB CCOc1ccccc1N1C(=O)CSC1=S 1720660 QGQURYGYARADIP-UHFFFAOYSA-N 253.348 2.450 10 40 CECB COc1ccc(/C(C)=C2/SC(=S)N(CO)C2=O)cc1 12362109 YZOFZQUEGBDQIA-DHZHZOJOSA-N 295.385 2.236 10 40 CECB COc1ccc(N/C=C2\SC(=S)N(C)C2=O)cc1 618255153 PSWNBTAQBNHDNB-YFHOEESVSA-N 280.374 2.439 10 40 CECB Oc1ccccc1CNCc1ccn(CC(F)F)n1 256052081 LVWRDXVYXVCUGY-UHFFFAOYSA-N 267.279 2.144 10 40 CECB CNc1cccc2c1C(=O)c1cccc(N)c1C2=O 4522778 HDCOHGVOAJNSRH-UHFFFAOYSA-N 252.273 2.086 10 40 CECB O=C(O)C(=S)C[C@H]1CCC[C@@H](CC(=S)C(=O)O)C1 68563782 BQVMJKMMOYKPCI-OCAPTIKFSA-N 288.390 2.482 10 40 CECB C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N(C)C)cc1 95450956 KDDUJILODJNLKR-KCQAQPDRSA-N 260.381 2.340 10 40 CECB [N-]=[N+]=NC[C@@H]1CC(=O)N(CCc2cccs2)C1 2298151885 BNYLDDDTVUDWMC-VIFPVBQESA-N 250.327 2.449 10 40 CECB O=C1Nc2ccccc2[C@]12CCN[C@H]2c1ccc(O)c(O)c1 62001423 GYQMBGLYRVEOLL-RDJZCZTQSA-N 296.326 2.022 10 40 CECB biogenic Cc1ccc(C)c(C2(O)C(=O)c3ccccc3C2=O)c1O 33865946 SAYKKAOBHQDBSH-UHFFFAOYSA-N 282.295 2.276 10 40 CECB Oc1ccc(CCNCc2ccc3c(c2)OCO3)cc1O 1767542 FCXOEWXFVFILOY-UHFFFAOYSA-N 287.315 2.159 10 40 CECB biogenic CC(C)CO[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 42386218 NPZYJOXADPJCJZ-CYBMUJFWSA-N 278.396 2.430 10 40 CECB CCn1cc(/C=C2\SC(S)=NC2=O)c(C)n1 2573447 YHZQXRRMJQRBAK-YWEYNIOJSA-N 253.352 2.112 10 40 CECB CCOC(=O)[C@@H]1Nc2c(O)cccc2[C@H]2C=CC[C@H]21 35598497 VTFJMPZCUSAADD-GLXFQSAKSA-N 259.305 2.409 10 40 CECB CC1=NN(c2ccccc2)C(=O)/C1=C\NCc1ccncc1 100149147 UZZSIMYOQMGTOB-VBKFSLOCSA-N 292.342 2.478 10 40 CECB Cc1ccc(C(=O)N(C)CCc2nccs2)c(O)c1O 96004013 GSWTZKLRVZEPMK-UHFFFAOYSA-N 292.360 2.177 10 40 CECB C[C@H](Oc1ccc(N)cc1)C(=O)Oc1ccc(N)cc1 220405291 QVXNYHKMMDVWOA-JTQLQIEISA-N 272.304 2.224 10 40 CECB O=C1CC2c3ccccc3C(O)(CC1=O)c1ccccc12 1712219 CXYJEMGYZFHWNP-UHFFFAOYSA-N 278.307 2.300 10 40 CECB Cc1cccc(NC(=O)C[C@@H]2SC(=S)NC2=O)c1C 34926797 DJADJJRTTCOQPF-JTQLQIEISA-N 294.401 2.149 10 40 CECB CN1C(=O)/C(=C/c2ccccc2O)SC1=S 2766087 TZKNKVSXJSTKDZ-TWGQIWQCSA-N 251.332 2.223 10 40 CECB O=C(NCCc1ccc(O)c(O)c1)NC1CCCCC1 6224444 DIBFMTQXENFFLC-UHFFFAOYSA-N 278.352 2.272 10 40 CECB CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2O)SC1=S 12694995 AYXCAXSQBYQJHQ-WEVVVXLNSA-N 296.329 2.131 10 40 CECB O=C1N=C(N2CCCC2)S/C1=C/c1cccnc1 9061165 LZEUIXUHOFHIIQ-DHZHZOJOSA-N 259.334 2.148 10 40 CECB COc1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1 2049269215 ARYACVYIMURALZ-UHFFFAOYSA-N 294.310 2.157 10 40 CECB NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1230938 QTNCEBZYJGVYDL-YVMONPNESA-N 270.766 2.415 10 40 CECB COC(=O)c1cc(/C=C2\C(=O)Nc3ccccc32)cn1C 12369359 ZRTLCWIPASDAAQ-GHXNOFRVSA-N 282.299 2.304 10 40 CECB CN1C(=O)n2c(nc3ccccc32)C(N=[N+]=[N-])(N=[N+]=[N-])C1=O 73278098 JRCTYJWPPKXNIG-UHFFFAOYSA-N 297.238 2.250 10 40 CECB CN1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 966595 DLDRJVRRHBGGBZ-POHAHGRESA-N 263.343 2.330 10 40 CECB CC1(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(F)cc1)C(=O)C2=O 4727500 LHXCYWIUALAIFS-MEDUHNTESA-N 289.306 2.339 10 40 CECB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccco1 3156105 ZXAUFGWONRMXLC-XYOKQWHBSA-N 288.690 2.394 10 40 CECB CCOC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C 34382972 JXABBHUZBQZPLX-BDAKNGLRSA-N 284.316 2.238 10 40 CECB CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\N(C)C 100249849 CHAFHCJWKKGSFV-XFXZXTDPSA-N 293.754 2.482 10 40 CECB Oc1ccc(CNc2ccn(C(F)F)n2)c(O)c1 256049470 ABHVUWLQDUGPPJ-UHFFFAOYSA-N 255.224 2.302 10 40 CECB CCc1n[nH]c(=S)n1NCc1ccc(N(C)C)cc1 7365404 PCOUFULSKAPMHD-UHFFFAOYSA-N 277.397 2.313 10 40 CECB CN(C)c1ccc(CNC(=O)c2ccncc2)cc1 18215076 QOKZCLDXVGZMQB-UHFFFAOYSA-N 255.321 2.078 10 40 CECB COC(=O)c1sc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2c1O 3851319 BIPYHIMLRCSPSG-UHFFFAOYSA-N 298.232 2.210 10 40 CECB biogenic O=C1c2ccccc2C(=O)c2c1cc1c(c2[N+](=O)[O-])OCO1 5759660 PPORIJGQJTZRNJ-UHFFFAOYSA-N 297.222 2.099 10 40 CECB Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=S)NC2=O)c1 34926801 LATRMEVOLOQTCF-JTQLQIEISA-N 294.401 2.149 10 40 CECB O=C(O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 3269660 MWJHDSAAGSURCA-UHFFFAOYSA-N 254.241 2.450 10 40 CECB in-vivo CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1 100517487 QBPNMKUZSYLVCR-ASLCJXLESA-N 295.755 2.254 10 40 CECB CN1c2ccccc2S[C@H]2C=CC(CC(N)=O)=C[C@H]21 101242675 GWRSFAVGQQCELY-OCCSQVGLSA-N 272.373 2.337 10 40 CECB Oc1ccc(F)cc1CN1CCC[C@@H]1Cn1ccnc1 188414553 VEWVZSFUBQHSAY-CQSZACIVSA-N 275.327 2.392 10 40 CECB COc1ccc(N(C)CCCC(=O)O)c(OC)c1 224999996 OQMFLUGJWLSNED-UHFFFAOYSA-N 253.298 2.005 10 40 CECB CS(=O)(=O)c1cccc(Oc2ccc(N)cc2)c1 37369498 KJADUWAWYMPMEK-UHFFFAOYSA-N 263.318 2.465 10 40 CECB in-vitro COc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 19266201 HIIGNHWSSUWWEY-UHFFFAOYSA-N 270.332 2.136 10 40 CECB N[C@H]1C[C@H]2CCCC[C@H]2C[C@@]1(O)c1ccc(O)c(O)c1 5385389 CDYZURNKDCBCAG-LZJQFABFSA-N 277.364 2.213 10 40 CECB CO[C@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 50437056 RVXLRHDSDUHCOB-INIZCTEOSA-N 284.359 2.315 10 40 CECB O=C1NC(=S)S/C1=C\N1CCCc2ccccc21 3174340 VBNUDHAWBGNKOJ-FLIBITNWSA-N 276.386 2.429 10 40 CECB O=C(O)/C=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1 33381291 UDLTYRICBOUKIU-XQRVVYSFSA-N 262.265 2.293 10 40 CECB CN1CCc2ncnc(N3CCc4ccc(F)cc43)c2C1 65474349 YLWGGSVQMWFIBI-UHFFFAOYSA-N 284.338 2.298 10 40 CECB Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1C 409124330 BBRVGJMZAWKURP-POHAHGRESA-N 266.391 2.473 10 40 CECB CN(C)c1ccc([C@H](CN)NC(=O)OC(C)(C)C)cc1 19415855 MDPRFSHJWBTVGK-ZDUSSCGKSA-N 279.384 2.277 10 40 CECB in-vitro Cc1cc(C(=O)NCCCC(N)=O)c(C)n1-c1ccccc1 71851689 ASKIZJHVQCUXGP-UHFFFAOYSA-N 299.374 2.089 10 40 CECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCC1 32772583 QZFDBOGNCMHKGD-UHFFFAOYSA-N 288.391 2.282 10 40 CECB Cc1ccc(/C=C2\SC(=S)N(N)C2=O)cc1 4882748 SVODAUGMWZCOGI-TWGQIWQCSA-N 250.348 2.070 10 40 CECB CCCC(=O)N1CCN(c2ccc3c(c2)O[C@H](C)O3)CC1 3593558 NJJUSPCXOWMCAH-GFCCVEGCSA-N 290.363 2.253 10 40 CECB O=c1oc2c(CNC3CC3)c(O)ccc2c2c1CCC2 13654967 VOAPQHHMXGVLCA-UHFFFAOYSA-N 271.316 2.239 10 40 CECB Cc1cc(C)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C 14181238 SIOGOVJLCYCKID-UHFFFAOYSA-N 286.331 2.046 10 40 CECB CN(Cc1ccccc1O)C(=O)Nc1ccccn1 48350046 NRBYVUBRQFNTFO-UHFFFAOYSA-N 257.293 2.451 10 40 CECB Nc1ccc(OC[C@@H](O)Cn2cnc3ccccc32)cc1 818232 HZLCHYVYYLYEKP-ZDUSSCGKSA-N 283.331 2.058 10 40 CECB CC(=O)N1C(=O)/C(=C\c2ccccc2)SC1=S 5291175 KSBYJGRLYHPQGN-JXMROGBWSA-N 263.343 2.434 10 40 CECB COC[C@@H](O)Cn1ccnc1/N=N/c1ccccc1 17142630 PZKUHGODJAIVES-VVLLMFOMSA-N 260.297 2.306 10 40 CECB CN(C)c1ccc(CNC(=O)c2ccccn2)cc1 8170698 YLQIEYCDVFRCGG-UHFFFAOYSA-N 255.321 2.078 10 40 CECB COc1cccc(N/C=C2\SC(=S)N(C)C2=O)c1 618255162 QCNDYTXSCAOSBM-YFHOEESVSA-N 280.374 2.439 10 40 CECB Cc1ccc(C)c(/N=N/c2c(N)nc(N)nc2O)c1 16952195 SCKBPEYCHYMIKO-ISLYRVAYSA-N 258.285 2.379 10 40 CECB C/C(=C1\SC(=S)NC1=O)c1ccccc1O 104085031 YPTTWPLUDZVSKQ-RMKNXTFCSA-N 251.332 2.271 10 40 CECB CN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S 6661073 BHBAQRXBNKNQAL-XFFZJAGNSA-N 293.369 2.289 10 40 CECB CC1=NN(c2ccccc2)C(=O)/C1=C\NN1CCCCC1 13583367 MHNDRIZMPHIINP-QINSGFPZSA-N 284.363 2.284 10 40 CECB CC[C@@H](C(=O)O)N(CC)c1ccc(OC)cc1OC 225000255 IXDGWSHYNDNEKH-NSHDSACASA-N 267.325 2.393 10 40 CECB COc1cccc(CNc2cncc(C(=O)O)c2)c1O 257198068 RPXVFPMKSAAJDE-UHFFFAOYSA-N 274.276 2.106 10 40 CECB Cc1cc(C(=O)O)c(C)n1-c1cccc(C(=O)O)c1 1610372 TYUGVOIHNADERA-UHFFFAOYSA-N 259.261 2.491 10 40 CECB O=S(=O)(Nc1cccc(F)c1)c1cccc2nonc12 17023137 JFGJEJNHMSCIIB-UHFFFAOYSA-N 293.279 2.163 10 40 CECB N=C(N)c1ccc(N/N=N/c2ccc(C(N)=O)cc2)cc1 38816528 AKKYBKFHMUXOBA-UHFFFAOYSA-N 282.307 2.180 10 40 CECB in-vitro CC(C)C1=NN2C(=N)/C(=C/c3ccncc3)C(=O)N=C2S1 41083268 VRWGGROYXZPZMW-DDADGOEASA-N 299.359 2.357 10 40 CECB Oc1cc2c(cc1O)[C@@H](c1ccc3c(c1)OCO3)NCC2 3728060 FYQYTNGASNPZPC-MRXNPFEDSA-N 285.299 2.062 10 40 CECB C[C@H]1CN2CCC[C@H]2CN1Cc1ccc(N(C)C)cc1 72324443 XWYITMWUDZKIDE-YOEHRIQHSA-N 273.424 2.421 10 40 CECB CC(=O)NC1=NC(=O)/C(=C\c2ccc(C)cc2)S1 1189774 OUHKFYOUMXBMFX-YRNVUSSQSA-N 260.318 2.101 10 40 CECB Cc1cnn(C[C@@H](C)NCc2ccc3c(c2)CCO3)c1 69490111 OUKZSPUELZTYBJ-CYBMUJFWSA-N 271.364 2.305 10 40 CECB Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1C 1216820 QQBRLUFHGDSFAQ-WEVVVXLNSA-N 252.364 2.131 10 40 CECB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1 40462393 JNKORVRZVBMUJT-UHFFFAOYSA-N 269.348 2.420 10 40 CECB CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1cccc(Cl)c1 16925812 HRWZBMNGPMIXNH-SOLLPLKKSA-N 295.755 2.254 10 40 CECB C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(N2CCOCC2)cc1 58407541 SBASYKSEBGKTDY-DVOMOZLQSA-N 288.391 2.356 10 40 CECB O=C1c2ccccc2C(=O)c2c1ccc1c2OCCO1 40379033 JPNRAFKCDBJGRS-UHFFFAOYSA-N 266.252 2.233 10 40 CECB Cc1c([N+](=O)[O-])ccc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21 7277557 KXGBLGQACSLGDU-RVBZMBCESA-N 274.276 2.442 10 40 CECB O=C(O)[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 4409894 FVGRNYLHBYNHAI-HOTUBEGUSA-N 260.249 2.133 10 40 CECB c1cn2c(n1)[C@@H](CNCc1ccc3c(c1)CCO3)CCC2 84459195 UBQSXABKOBEKCY-OAHLLOKOSA-N 283.375 2.485 10 40 CECB C/C(C=C1C(=O)N(C)C(=O)N(C)C1=O)=C\c1ccccc1 9189652 QKVGENYBSQVPNW-PKNBQFBNSA-N 284.315 2.067 10 40 CECB O=C(O)[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@H]12 4409893 FVGRNYLHBYNHAI-VDDIYKPWSA-N 260.249 2.133 10 40 CECB CN(C)c1ccc(/C=C2/C(=O)N=C3C=CC=CN32)cc1 34714168 SWIKOMDNFWWJMY-KAMYIIQDSA-N 265.316 2.418 10 40 CECB CCOC(OCC)[C@@]1(OCC)C=C[C@H](OCC)O1 255189462 PZLDVZDPEQTIFJ-DGCLKSJQSA-N 260.330 2.067 10 40 CECB Cc1cc(C)c(C2(O)C(=O)c3ccccc3C2=O)c(O)c1 33865947 IXLHEYKZCLDERJ-UHFFFAOYSA-N 282.295 2.276 10 40 CECB CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1ccccc1Cl 100517501 GKOXPOJLFCAQSH-ASLCJXLESA-N 295.755 2.254 10 40 CECB CN1C(=O)/C(=C\c2ccccc2C(=O)O)SC1=S 16905128 BZSHHUMPYCOMJL-RMKNXTFCSA-N 279.342 2.216 10 40 CECB NS(=O)(=O)c1ccc(/N=N/N2CCCCCC2)cc1 80373 CIAKXEZVKQYCME-CCEZHUSRSA-N 282.369 2.209 10 40 CECB in-vitro O=C1c2ccccc2C(=O)c2c1ccc1c2OCO1 4098686 YBXYYSSRAZPEGN-UHFFFAOYSA-N 252.225 2.191 10 40 CECB in-vitro COc1cccc(/N=N/c2c(N)nn3c(=O)cc(C)[nH]c23)c1 4649652 WDETZVRRBPWVRT-ISLYRVAYSA-N 298.306 2.337 10 40 CECB CC/C(C)=C1\C(=O)NN(c2ccc(C)c(C)c2)C1=O 328668 RNOURMYWFWZBHK-UKTHLTGXSA-N 258.321 2.408 10 40 CECB COC(=O)c1cccc(-n2c(C)cc(CO)c2C)c1 8701615 VHJOXPOPXKBPEF-UHFFFAOYSA-N 259.305 2.373 10 40 CECB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1C(C)(C)C 409049965 ZAWUZBGRWIKMAG-YRNVUSSQSA-N 261.325 2.040 10 40 CECB Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 185390694 DRCROQUYLYXIJE-SECBINFHSA-N 275.304 2.360 10 40 CECB Cc1cc(=O)n2nc(N)c(/N=N/c3ccccc3)c2[nH]1 102522011 NQJGYLSUBPQHAB-WUKNDPDISA-N 268.280 2.329 10 40 CECB CC(=O)Nc1ccc(/C=C2\SC(=S)NC2=O)cc1 13137362 JOYWUPKLLQWEGW-POHAHGRESA-N 278.358 2.134 10 40 CECB CC1(C)OC(=O)/C(=C\c2ccccc2Cl)[C@@H](O)O1 5415391 HQEMUZPNZGMBNB-DVBBHNHCSA-N 268.696 2.351 10 40 CECB CN(C)c1ccc(CNCc2ccc3c(c2)CCO3)cn1 54174618 WEUABVOQHBUJEQ-UHFFFAOYSA-N 283.375 2.372 10 40 CECB COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3C)CC2)cc1 65488155 JWKZPHMORIMDDJ-BLLLJJGKSA-N 288.391 2.436 10 40 CECB CCN(CC)c1ccc(CNC(C)(C)CO)cc1 6869657 TWKRITGRIWRRPR-UHFFFAOYSA-N 250.386 2.393 10 40 CECB COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 18150720 OXCXPZDSOWJGDG-UHFFFAOYSA-N 299.374 2.428 10 40 CECB C[C@@H](NCc1ccc2c(c1)CCO2)c1nnc2n1CCCC2 95402024 BYAZKKHORKBOMA-GFCCVEGCSA-N 298.390 2.400 10 40 CECB NCc1cc(Br)cc(Br)c1O 31614175 YHZLVKSVOXPSQJ-UHFFFAOYSA-N 280.947 2.376 10 40 CECB Cc1ccc(C2(O)C(=O)c3ccccc3C2=O)c(O)c1C 101735 OQHIXMJROIGKQK-UHFFFAOYSA-N 282.295 2.276 10 40 CECB COCCOc1cccc2c1C(=O)c1ccccc1C2=O 5460281 DXIRUSGMMXOOTH-UHFFFAOYSA-N 282.295 2.487 10 40 CECB COc1c(O)c(O)cc2c[n+]3ccccc3c(C)c12 1764984 XQNSYMDHRGEFBT-UHFFFAOYSA-O 256.281 2.307 10 40 CECB Cc1c(/C=C2/SC(N3CCCCC3)=NC2=O)cnn1C 17022448 PUZUXUFNUBECMT-XYOKQWHBSA-N 290.392 2.185 10 40 CECB CC1=NNC(=O)/C1=C\NCc1cccc(C(F)(F)F)c1 5625782 XELUCNDNGUBNLQ-XFFZJAGNSA-N 283.253 2.185 10 40 CECB Cc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)cc(C)c1O 38160340 JVMOVORRKDZZSC-UXBLZVDNSA-N 290.344 2.106 10 40 CECB CC1CCC(=C2SC(=S)N(CO)C2=O)CC1 40541594 XXXRROAZTIILHS-UHFFFAOYSA-N 257.380 2.261 10 40 CECB Nc1nc(N)c(Cc2ccncc2)cc1Cc1ccncc1 1581667 SGJBIUYRJJNSMD-UHFFFAOYSA-N 291.358 2.218 10 40 CECB Cc1cc(C(=O)N[C@@H](C)CO)c(C)n1-c1ccc(F)cc1 97204823 HPYVEHZJNRNLOP-JTQLQIEISA-N 290.338 2.344 10 40 CECB Cc1cc(=O)n2[nH]c(=O)c(/N=N/c3ccccc3)c2[nH]1 102506975 DELDPUNTSBPABY-FOCLMDBBSA-N 269.264 2.040 10 40 CECB Cc1cc(C)nc(N2CCN(c3ccc(N)cc3)CC2)n1 11906274 SVPAVDUWPDRSRG-UHFFFAOYSA-N 283.379 2.002 10 40 CECB O=C1NC(=S)S/C1=C\C=C\c1ccc([N+](=O)[O-])o1 5172555 VGDGBMXDKZEVTF-YDCWOTKKSA-N 282.302 2.233 10 40 CECB O=C1NC(=S)S/C1=C\Nc1ccccc1F 618255057 OLBFVGFPQJZYAW-YVMONPNESA-N 254.311 2.227 10 40 CECB CN(C)c1ccc(/C=C/C(=O)NCCCn2cccn2)cc1 45936002 DLAVEGLNUQJTCL-JXMROGBWSA-N 298.390 2.169 10 40 CECB COc1ccc(N/C=C2\SC(=S)NC2=O)cc1 12139100 DONOKTNUFBPKIT-TWGQIWQCSA-N 266.347 2.096 10 40 CECB O=C1NC(=S)S/C1=C/c1ccc([N+](=O)[O-])s1 6513160 MKKRMSXOQAWSBY-HWKANZROSA-N 272.332 2.145 10 40 CECB O=C(O)C[C@H]1SC(=S)N(C2CCCCC2)C1=O 216812841 PQWAXVNAXLCBFM-MRVPVSSYSA-N 273.379 2.023 10 40 CECB CC[C@@H](NC[C@@](C)(O)c1cnn(C)c1)c1ccccc1O 155994162 CZWSEWSOBLHEIY-GDBMZVCRSA-N 289.379 2.074 10 40 CECB COc1nn(C)cc1NCc1ccc(N(C)C)cc1 256054285 VSUKPIYHZLOKCS-UHFFFAOYSA-N 260.341 2.107 10 40 CECB CCCCN1C(=O)NC(=O)/C(=C\C=C\c2ccco2)C1=O 2282824 SETMMDLKNXBECG-RZYXTZOYSA-N 288.303 2.098 10 40 CECB O=C1NN=C/C1=C\Nc1cccc(C(F)(F)F)c1 3210171 YVCHBFPVMREYHP-FNORWQNLSA-N 255.199 2.117 10 40 CECB O=C1N=C(N2CCOCC2)S/C1=C/C=C/c1ccco1 5371069 HWHISGAQJVTBAO-MPQOSVQESA-N 290.344 2.138 10 40 CECB COc1cc2c(cc1OC)C(=O)c1ccccc1C2=O 5081630 SSSUEMJDMRBPMY-UHFFFAOYSA-N 268.268 2.479 10 40 CECB Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(N)=O)cc1 4541518 GBNRMGKQBVYXBR-GFCCVEGCSA-N 286.331 2.125 10 40 CECB Cc1ccc(C)n1-c1ccc(C(=O)O)c(C(=O)O)c1 266946 UQFYRZIMRBEYDD-UHFFFAOYSA-N 259.261 2.491 10 40 CECB Cc1cc(C(=O)N[C@H](C)CO)c(C)n1-c1ccc(F)cc1 97204824 HPYVEHZJNRNLOP-SNVBAGLBSA-N 290.338 2.344 10 40 CECB COc1ccc(N(C)Cc2nnc(C)o2)c(OC)c1 95434281 SCYVBGSJSLODOQ-UHFFFAOYSA-N 263.297 2.032 10 40 CECB Cc1c([N+](=O)[O-])ccc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21 226977040 KXGBLGQACSLGDU-KKFJDGPESA-N 274.276 2.442 10 40 CECB Cc1cc(O)ccc1N/C=C1\C(=O)NN=C1C(F)(F)F 100107978 HCDBNJGSDVUOND-YVMONPNESA-N 285.225 2.045 10 40 CECB O=C(O)[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]12 4409896 FVGRNYLHBYNHAI-KBVBSXBZSA-N 260.249 2.133 10 40 CECB Cc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 4550369 SPNIWWAWCNWTAY-RVDMUPIBSA-N 278.311 2.456 10 40 CECB CN(Cc1ccccc1O)C(=O)Cc1cn2ccccc2n1 89363616 SPAQPYWSHBQJBG-UHFFFAOYSA-N 295.342 2.241 10 40 CECB O=[N+]([O-])c1ccc(O)c(C2=NN[C@@H](c3ccncc3)C2)c1 36047029 UGCFXFZWZFLALL-GFCCVEGCSA-N 284.275 2.134 10 40 CECB Cn1c(O)c(/N=N/C(=O)C(C)(C)O)c2ccccc21 100097230 HCRCFMYYBQVHQK-CCEZHUSRSA-N 261.281 2.265 10 40 CECB C[C@@H](C(=O)NCCCSc1nccs1)n1cccn1 79310595 TWLMSTZKLCQXMM-JTQLQIEISA-N 296.421 2.199 10 40 CECB CCOC(=O)[C@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@H]12 1418687 LQFSYWYGZHWLIW-MJVIPROJSA-N 287.315 2.402 10 40 CECB Cc1ccc(N/C=C2\SC(=S)NC2=O)cc1 109798593 RVBSMFZUOMVPHP-TWGQIWQCSA-N 250.348 2.396 10 40 CECB COc1cccc(NC(=O)Cc2ccc(N)cc2)c1 20185798 PHOPOGGTQJAJQD-UHFFFAOYSA-N 256.305 2.459 10 40 CECB O=C(NCc1ccccc1O)c1ccc(Cn2cccn2)o1 84504903 MUXCYJKJOIIDLF-UHFFFAOYSA-N 297.314 2.160 10 40 CECB CN(Cc1ccccc1O)C(=O)c1ccccc1O 42117885 BHFFGKJEDSXGSC-UHFFFAOYSA-N 257.289 2.370 10 40 CECB OC1=NC(=S)S/C1=C\c1cccc(O)c1O 16989322 NLLGSRAFJAIEKU-DAXSKMNVSA-N 253.304 2.427 10 40 CECB in-vitro Cc1ccc(C)n1-c1cnn(CC(=O)NCc2ccco2)c1 78991377 IBGOAGPBDTWWJH-UHFFFAOYSA-N 298.346 2.200 10 40 CECB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(N)cc1 3896356 LHLQAMIOXPCYGU-GUTXKFCHSA-N 278.396 2.271 10 40 CECB CSC(=N)N(C#N)CCSCc1nc[nH]c1C 95869786 OJHSNWXCKUSASO-UHFFFAOYSA-N 269.399 2.032 10 40 CECB CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1021930 YMEJCAHPHWEJTH-TWGQIWQCSA-N 280.330 2.426 10 40 CECB COc1ccc(C(=O)N(C)Cc2ccccc2O)c(O)c1 42117724 LNVSGVCGQSUZPB-UHFFFAOYSA-N 287.315 2.379 10 40 CECB Cc1ccsc1/C=C1/SC(N2CCOCC2)=NC1=O 82806 KZNUVOHTMZRUNU-DHZHZOJOSA-N 294.401 2.359 10 40 CECB C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc(N)cc2)C1 20155125 GTACLQJOSMWOEY-TXEJJXNPSA-N 262.353 2.152 10 40 CECB CC(=O)c1c(C)nc(-c2ccc(N(C)C)cc2)n1O 27840757 HHFKUCLLPXLOKV-UHFFFAOYSA-N 259.309 2.364 10 40 CECB CCN1C(=O)/C(=C/c2ccccn2)SC1=S 1196651 MNWKVEIZMVREIO-CLFYSBASSA-N 250.348 2.303 10 40 CECB C[C@@H](NN)c1cc(Cl)cc(Br)c1O 199536303 QLCIINOLNUSCRM-SCSAIBSYSA-N 265.538 2.332 10 40 CECB COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1 5998778 BDBVOZGRVBXANN-UHFFFAOYSA-N 274.228 2.072 10 40 CECB biogenic,in-vitro CCCc1nc(C=S(C)(C)=O)c2ccccc2n1 218781967 TYWFLWILRVQIAQ-UHFFFAOYSA-N 262.378 2.277 10 40 CECB CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)N=C1S 39932842 MQXMZUQVDUHYJJ-XFXZXTDPSA-N 275.377 2.241 10 40 CECB CCS(=O)(=O)Nc1ccc(O)c2ccccc12 45929154 ZSBSWQFHASTPEY-UHFFFAOYSA-N 251.307 2.307 10 40 CECB CN(CC(=O)c1ccc(O)c(O)c1)Cc1ccccc1 34429663 LVERDXLUFRHUKR-UHFFFAOYSA-N 271.316 2.413 10 40 CECB in-vitro CCOCCC(=O)NCc1ccc(N(C)C)c(C)c1 71896285 OHAGAXYSKHKOHM-UHFFFAOYSA-N 264.369 2.104 10 40 CECB O=C1CS[C@@H](c2ccccc2O)N1c1nncs1 5759176 OMTCDTDGVLALPR-JTQLQIEISA-N 279.346 2.022 10 40 CECB O=C1c2ccccc2N[C@H]2CC(c3ccccc3O)=NN12 1439614 DBWQCXIVQRYVPD-OAHLLOKOSA-N 279.299 2.394 10 40 CECB Oc1cc2c(cc1O)CN1CCc3cc(O)c(O)cc3[C@@H]1C2 31938986 KTXIKPCVGWAEMA-ZDUSSCGKSA-N 299.326 2.165 10 40 CECB COc1ccc(CN2C[C@H](CN=[N+]=[N-])CC2=O)cc1 1888999952 QLNBEVIFXFRRSP-NSHDSACASA-N 260.297 2.354 10 40 CECB CCOC(=O)c1ccc(/N=N/N2CCOCC2)cc1 306228 GZEIWOLRROEWHZ-CCEZHUSRSA-N 263.297 2.194 10 40 CECB COc1ccccc1[C@H](O)CNCc1ccc2c(c1)CCO2 65489033 WZYOWKWTWHHXCE-MRXNPFEDSA-N 299.370 2.453 10 40 CECB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccco2)SC1=S 19891101 OGGYHNILKPWNML-WSQKDGNHSA-N 297.357 2.344 10 40 CECB CC(/C=C/N(C)C)=C1C(=O)N(C)c2ccccc2N(C)C1=O 51129949 KYGYXVQGIAWPGC-ZHACJKMWSA-N 299.374 2.018 10 40 CECB COc1ccc(N2CCN[C@@H]3CCC[C@H]32)c(OC)c1 218845049 HLBIQSMTSOTBOY-CHWSQXEVSA-N 262.353 2.035 10 40 CECB OC1=NC(=S)S/C1=C/c1ccc(O)c(O)c1 3163877 WVCFNVNKWVWZFT-XBXARRHUSA-N 253.304 2.427 10 40 CECB COC(=O)CCSC(=S)NCc1ccccc1 5997004 RMIDAWHSPFYENA-UHFFFAOYSA-N 269.391 2.357 10 40 CECB CS(=O)(=O)c1ccc(COc2ccc(N)cc2)cc1 11906981 KNNJNYYAZSDLMU-UHFFFAOYSA-N 277.345 2.251 10 40 CECB O=C1N=C(N2CCCC2)S/C1=C/c1cccc(O)c1 80429 XCJJMQGMNVPOSZ-FMIVXFBMSA-N 274.345 2.458 10 40 CECB Cc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 1197869 YSXOSCYMSSJZRP-POHAHGRESA-N 293.369 2.281 10 40 CECB O=C(CSc1ccccn1)c1ccc(O)c(O)c1 5395322 LLBVHNUDZBQSHD-UHFFFAOYSA-N 261.302 2.468 10 40 CECB O=C1N=C(N2CCCC2)S/C1=C\c1ccncc1 4710647 JGULMYISQQOTHB-LUAWRHEFSA-N 259.334 2.148 10 40 CECB CN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O 13086622 KUQCXSFPPMSPJA-FLIBITNWSA-N 262.334 2.419 10 40 CECB O=C1N=C(O)/C(=C\c2ccc3ccccc3c2)C(=O)N1 1621536 FDEWNHZLVHMLEY-UHFFFAOYSA-N 266.256 2.430 10 40 CECB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 15973896 DCCXPTQVFZFDSG-PTNGSMBKSA-N 294.310 2.157 10 40 CECB CS(=O)(=O)N(Cc1ccc(N)cc1)c1ccc(F)cc1 225403258 KWWFCGDZRCOOBG-UHFFFAOYSA-N 294.351 2.374 10 40 CECB CCCCCC(=O)NC1=NN(c2ccccc2)C(=O)C1 16637793 RMSIXHVDURXRJR-UHFFFAOYSA-N 273.336 2.433 10 40 CECB COC(=O)Cn1c(CCC(=O)O)ccc1-c1ccccc1 559576 CGDVVNIFILFBTI-UHFFFAOYSA-N 287.315 2.345 10 40 CECB Nc1ccc(-n2cc(C(=O)O)c(C(F)F)n2)cc1 575441634 ONAGAYDFXBMNHR-UHFFFAOYSA-N 253.208 2.090 10 40 CECB CC1=CC(C)(C)N(C)c2ccc(/C=C3/NC(=O)NC3=O)cc21 208448569 MXYDQFFFQRADGG-MDWZMJQESA-N 297.358 2.499 10 40 CECB CC1(C)OC(=O)C(=CNc2ccccc2Cl)C(=O)O1 215629 JKRDXRQPIMCMIM-UHFFFAOYSA-N 281.695 2.472 10 40 CECB CN1CCCc2cc(CNC(=O)C[C@H]3CCCO3)ccc21 69521073 CVBDMRMPGDNSDL-OAHLLOKOSA-N 288.391 2.254 10 40 CECB Cc1cc(/C=C2/SC(=S)NC2=O)cc(C)c1O 13140379 NPYSSQZXRXNSQT-WEVVVXLNSA-N 265.359 2.498 10 40 CECB COc1cccc([C@H]2NCCc3cc(O)c(O)cc32)c1 3723100 MWHMVJITODAQPY-MRXNPFEDSA-N 271.316 2.342 10 40 CECB Oc1cccc([C@H]2NCCc3cc(O)c(O)cc32)c1 16399480 APWWKKZTCNEBMI-OAHLLOKOSA-N 257.289 2.039 10 40 CECB CCN(c1ccccc1)C1(O)C(=O)c2ccccc2C1=O 3153207 DKECOLWHOUNHGA-UHFFFAOYSA-N 281.311 2.281 10 40 CECB COc1ccc(N(C)CC(=O)N2CCCCC2)c(OC)c1 95973206 IKYZBJABINYIAQ-UHFFFAOYSA-N 292.379 2.153 10 40 CECB CC1=NNC(=O)/C1=C\Nc1ccc(OC(F)(F)F)cc1 100151366 CNUUJKVEUNCMOA-POHAHGRESA-N 285.225 2.387 10 40 CECB O=C1/C(=C\c2cccnc2)SC(=S)N1C1CC1 96930818 IAICDRFRRICAJD-UXBLZVDNSA-N 262.359 2.445 10 40 CECB CN(C)c1ccc(C2(O)C(=O)c3ccccc3C2=O)cc1 408878 WIBHRRILWAKQSD-UHFFFAOYSA-N 281.311 2.019 10 40 CECB O=C1c2ccccc2C(=O)c2c1cccc2N1CCOCC1 3892648 QTROOPIDMCZQBL-UHFFFAOYSA-N 293.322 2.299 10 40 CECB Nc1nc2[nH]c(/N=N/c3ccc(Cl)cc3)nc2c(=O)[nH]1 18158079 GJEUVQDKRXQRST-VHEBQXMUSA-N 289.686 2.297 10 40 CECB CC1(C)[C@]2(C)CC[C@]1(C(=O)NC1CCCCC1)C(=O)C2=O 100834604 RVQYQUPCDLQJSY-IAGOWNOFSA-N 291.391 2.400 10 40 CECB CCN1C(C)=C(C)S/C1=C1\SC(=S)N(N)C1=O 100500533 FVNGKHVKDJDONU-CLFYSBASSA-N 287.435 2.210 10 40 CECB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(N)cc1 16608857 LHLQAMIOXPCYGU-UMVBOHGHSA-N 278.396 2.271 10 40 CECB O=C(O)CN1C(=O)/C(=C\C=C\c2ccco2)SC1=S 2447677 DHRVUIHJMVTCDI-UGKRUCBZSA-N 295.341 2.122 10 40 CECB CCN1C(=O)/C(=C/NC2CCCC2)SC1=S 101072778 PAZHTAXLIHUEHR-CLFYSBASSA-N 256.396 2.240 10 40 CECB CCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)NC1=S 202717 AFBHVJQKVVOZQM-RAXLEYEMSA-N 289.404 2.220 10 40 CECB CCN1CCN(c2c(N)cc(OC)cc2Cl)CC1 45886061 QJVHHISQYCUEKZ-UHFFFAOYSA-N 269.776 2.073 10 40 CECB CC(=O)NC1(Nc2ccccc2)C(=O)c2ccccc2C1=O 226297884 ZLUBJHCQQYFKAG-UHFFFAOYSA-N 294.310 2.010 10 40 CECB Nc1ccc(Cc2nn3c(C(F)(F)F)nnc3s2)cc1 73634275 CWXOMJOPCJZFCO-UHFFFAOYSA-N 299.281 2.378 10 40 CECB Cc1cc(C)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)c1 7718351 LHNYRPLENZXQGF-UHFFFAOYSA-N 286.331 2.046 10 40 CECB O=C1N=C(NCCCO)S/C1=C\c1ccc(Cl)cc1 256055902 YMVCNIZJVKTWTK-FLIBITNWSA-N 296.779 2.282 10 40 CECB O=C1c2ccccc2C(=O)C12[C@H](c1ccccc1)[C@H]2[N+](=O)[O-] 5604279 CEODTYJEKGBWSD-ZIAGYGMSSA-N 293.278 2.495 10 40 CECB COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3C)CC2)cc1 65488153 JWKZPHMORIMDDJ-MLGOLLRUSA-N 288.391 2.436 10 40 CECB CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1ccc(C)cc1C 100525232 FSOGLFMMOPZSSF-RJLNKPMYSA-N 289.364 2.217 10 40 CECB O=C(O)c1ccc([C@@H]2NCCc3cc(O)c(O)cc32)cc1 16401288 XOLHBSQWZCKWCG-HNNXBMFYSA-N 285.299 2.031 10 40 CECB CCN1CCN(c2c(Cl)cc(OC)cc2[N+](=O)[O-])CC1 45886050 LKCRXAPVTWJTIF-UHFFFAOYSA-N 299.758 2.399 10 40 CECB O=C1C[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21 14728182 RZPNYDYGMFMXLQ-ZDUSSCGKSA-N 288.255 2.216 10 40 CECB biogenic O=C(O)/C=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4272120 UDLTYRICBOUKIU-GQCTYLIASA-N 262.265 2.293 10 40 CECB O=C1NC(=S)S/C1=C\c1cc2ccccc2oc1=O 409334759 WAKHIZDLGSRMBX-POHAHGRESA-N 289.337 2.282 10 40 CECB CC(=O)[C@@H]1C(=O)c2ccc(Br)cc2C1=O 101652741 NFYXKOHGTLUDOU-SECBINFHSA-N 267.078 2.033 10 40 CECB Cc1nn(-c2ccccn2)c2c1C(=O)C(=[N+]=[N-])C(C)(C)C2 5330532 JRJQUVZTGLAOQP-UHFFFAOYSA-N 281.319 2.012 10 40 CECB CCN1C(=O)N=C(O)/C(=C\c2c[nH]c3ccccc23)C1=O 59109625 GOCXSLYHUOTLJD-YRNVUSSQSA-N 283.287 2.490 10 40 CECB Cc1c(CNCc2ccc(N(C)C)cc2)cnn1C 12395344 YPYOFUYRZQTDIY-UHFFFAOYSA-N 258.369 2.084 10 40 CECB COc1ccc(OC(=O)Cc2ccc(N)cc2)cc1 225396056 BSSDRJBLHZZNJE-UHFFFAOYSA-N 257.289 2.426 10 40 CECB CC(=O)N1c2cc(/N=N/N(C)C)ccc2NC(=O)C[C@@H]1C 1649531 XCTVTCKRJJTLHD-DKIZVAMUSA-N 289.339 2.331 10 40 CECB CC1(C)OC(=O)/C(=C\c2ccccc2Cl)[C@H](O)O1 5415427 HQEMUZPNZGMBNB-GXMKHXEJSA-N 268.696 2.351 10 40 CECB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1C[C@H]1CCCO1 409134531 SAPZQEOOIMCCIW-PAKSIRSJSA-N 294.401 2.395 10 40 CECB CC(C)(C)OC(=O)N1CCC(O)(CN=[N+]=[N-])CC1 47844081 BMXUWVRMSNQBAA-UHFFFAOYSA-N 256.306 2.059 10 40 CECB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(N)cc1 20155131 UPQPDHDPXWXOBW-TXEJJXNPSA-N 262.353 2.437 10 40 CECB CC[C@H](NC[C@@](C)(O)c1cnn(C)c1)c1ccccc1O 155994037 CZWSEWSOBLHEIY-GOEBONIOSA-N 289.379 2.074 10 40 CECB COc1cccc(CN2C[C@H](CN=[N+]=[N-])CC2=O)c1 1889032730 GNBWISZDQHJEAC-NSHDSACASA-N 260.297 2.354 10 40 CECB Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 48523372 ARJXDDNJBILCHZ-UHFFFAOYSA-N 271.345 2.396 10 40 CECB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCO 1578555 UHXGJXGJNJTBRV-UHFFFAOYSA-N 291.306 2.205 10 40 CECB biogenic CN(C)c1ccc(/C=C2\SC(=S)NC2=O)cc1 12358823 JJRVRELEASDUMY-YFHOEESVSA-N 264.375 2.241 10 40 CECB COc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21 22204535 PVYYIZZOQDXNMG-KKFJDGPESA-N 290.275 2.142 10 40 CECB CC[C@@](O)(CN=[N+]=[N-])[C@H](C)NC(=O)OC(C)(C)C 72207851 SFRLQADRBZVOIS-GZMMTYOYSA-N 258.322 2.351 10 40 CECB Cc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 4098664 JXHLSZPLSSDYCF-UHFFFAOYSA-N 254.241 2.182 10 40 CECB biogenic,in-vitro Oc1ccc(/C=C/c2nc([C@@H]3CCOC3)no2)cc1O 95940717 VFFZMGMWYADLBN-XCRNYIDWSA-N 274.276 2.155 10 40 CECB CC(C)c1cc(CNC(=O)c2ccc(O)c(O)c2)on1 97050507 ROKLOLHFUYWFBO-UHFFFAOYSA-N 276.292 2.139 10 40 CECB Nc1ccc(OC[C@H](O)Cn2cnc3ccccc32)cc1 818233 HZLCHYVYYLYEKP-CYBMUJFWSA-N 283.331 2.058 10 40 CECB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1 4501872 WVXJFVYGNVTBLN-UHFFFAOYSA-N 258.273 2.440 10 40 CECB CCCSCC(=O)NCc1cc([N+](=O)[O-])ccc1O 48368784 XJARMGNUZONYHC-UHFFFAOYSA-N 284.337 2.060 10 40 CECB CCN(CC)c1ccc([C@@H]2CC(=O)Nc3ncnn32)cc1 6205391 LRZGQHYDQQUAEW-ZDUSSCGKSA-N 285.351 2.056 10 40 CECB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCCC1 97098018 ZDWLYQUEINYSKQ-JTQLQIEISA-N 261.321 2.255 10 40 CECB O=c1c(O)c(-c2cccc(O)c2O)oc2ccc(O)cc12 57875 KQRPHHDERPYSPX-UHFFFAOYSA-N 286.239 2.282 10 40 CECB biogenic CN(C)c1ccc(CNC(=O)c2cccnc2)cc1 12537524 SEDNLRGGVLKQFK-UHFFFAOYSA-N 255.321 2.078 10 40 CECB COC(=O)c1sc(OC)c(C(F)(F)F)c1O 99495 WUHQAKSKDRMUCX-UHFFFAOYSA-N 256.201 2.268 10 40 CECB Cc1c([N+](=O)[O-])ccc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21 105833752 KXGBLGQACSLGDU-ZDMBXUJBSA-N 274.276 2.442 10 40 CECB O=c1[nH]c(-c2ccc(O)c(O)c2)nc2ccccc12 5177945 VQZGOTKVGJAWAS-UHFFFAOYSA-N 254.245 2.001 10 40 CECB COc1ccc(N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 216766140 JNFDTHXSNGFMBV-NXEZZACHSA-N 266.297 2.217 10 40 CECB O=C1NN(c2cccc(F)c2)C(=O)/C1=C\c1ccccc1 386326 PGXJUFAHNHTALJ-ZROIWOOFSA-N 282.274 2.287 10 40 CECB O=C1N=C(O)/C(=C\c2csc3ccccc23)C(=O)N1 1700953 KYUZIHNLKUMCRA-UHFFFAOYSA-N 272.285 2.491 10 40 CECB COCCN1C(=O)/C(=C/c2ccco2)SC1=S 2820090 JAIQTORLZLXKRK-CLFYSBASSA-N 269.347 2.127 10 40 CECB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 4478796 OGGYHNILKPWNML-GTUWVTDSSA-N 297.357 2.344 10 40 CECB COC(=O)c1cc(OC)ccc1Oc1ccc(N)cn1 5728278 LYYVOUSUZZDAFL-UHFFFAOYSA-N 274.276 2.251 10 40 CECB CCN1CCc2cc(CN(C)Cc3nonc3C)ccc21 72392145 JSRWEMWJIOQUHO-UHFFFAOYSA-N 286.379 2.392 10 40 CECB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccco1 3156106 ZXAUFGWONRMXLC-WQLSENKSSA-N 288.690 2.394 10 40 CECB Cc1ccc(O)c(C2=NNC(=O)[C@@H]3CCCC[C@@H]23)c1 5542430 LWAHYQACONHMBQ-GHMZBOCLSA-N 258.321 2.341 10 40 CECB CCC(=O)c1ccc(/N=N/c2c(N)nc(N)nc2O)cc1 18084244 GAYNRSMFNYLFEG-VHEBQXMUSA-N 286.295 2.355 10 40 CECB CC(=O)N1CCc2cc(N3CCCCC3)c([N+](=O)[O-])cc21 9879787 WAKZXQBCAVMRPS-UHFFFAOYSA-N 289.335 2.494 10 40 CECB CN(C)c1ccc([C@@H](N)CC(=O)O)c2ccccc12 44216330 FCNYTXHQHPRBFQ-ZDUSSCGKSA-N 258.321 2.380 10 40 CECB O=[N+]([O-])c1ccc(O)c(CNCC2(O)CCCCC2)c1 96403164 FHWLKZIRPPQRET-UHFFFAOYSA-N 280.324 2.085 10 40 CECB CN(C)Cc1cc(C=O)cc(Br)c1O 202466375 LQVDDMGMKLUDAR-UHFFFAOYSA-N 258.115 2.029 10 40 CECB Nc1ccc(OCc2n[nH]c(-c3ccncc3)n2)cc1 62719559 KBSHCGUGTPHYBW-UHFFFAOYSA-N 267.292 2.028 10 40 CECB COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)c(O)c1 19325414 QKKVFJQLOJDDMB-UHFFFAOYSA-N 288.391 2.447 10 40 CECB O[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc2c(c1)CCO2 85334669 ARYPKHFKGBTWBN-AEFFLSMTSA-N 281.355 2.369 10 40 CECB Cn1nc(C(F)(F)F)cc1CNCc1ccccc1O 256051597 JTZCSXMUFXXZMR-UHFFFAOYSA-N 285.269 2.434 10 40 CECB O=C1NN=C/C1=C\Nc1cc(Cl)cc(Cl)c1 100394969 MYKQJXMXBZQSQX-GQCTYLIASA-N 256.092 2.405 10 40 CECB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccco1 59489941 ALOHHBNLCKNKOL-UHFFFAOYSA-N 262.261 2.423 10 40 CECB Cc1nc(C=S(C)(C)=O)c2cc(Cl)ccc2n1 218782280 VLQUFNUMYYNZRK-UHFFFAOYSA-N 268.769 2.286 10 40 CECB COc1cc(O)cc(-c2cc(O)c(O)cc2C)c1C(=O)O 31156571 LRPKVZCPOLBQHA-UHFFFAOYSA-N 290.271 2.486 10 40 CECB biogenic,in-vitro O=C1CS[C@H](c2ccccc2O)N1c1nncs1 1607993 OMTCDTDGVLALPR-SNVBAGLBSA-N 279.346 2.022 10 40 CECB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccccc1 76968 GJPQZUWTJJXCDP-NTEUORMPSA-N 281.315 2.274 10 40 CECB COc1cc(N2C(=O)CSC2=S)cc(OC)c1OC 1045135 JOYZMTXOFAFVJF-UHFFFAOYSA-N 299.373 2.077 10 40 CECB CC(=O)N1N=C(c2ccccn2)C[C@@H]1c1ccccc1O 96096344 KCFFJZSTFYBBDA-OAHLLOKOSA-N 281.315 2.485 10 40 CECB Cc1ccc2c(c1NC=O)C(=O)c1ccccc1C2=O 255188994 MZKMBEJTDYFSOJ-UHFFFAOYSA-N 265.268 2.339 10 40 CECB CCOC(=O)C1=C[C@H](OC(CC)CC)[C@H](N)[C@@H](N=[N+]=[N-])C1 77286943 UXJWNTIKRKKBGZ-RWMBFGLXSA-N 296.371 2.460 10 40 CECB in-vitro CC1(C)OC(=O)C(=Cc2ccc(F)cc2)C(=O)O1 1624763 SETVMRFCGKHQKN-UHFFFAOYSA-N 250.225 2.045 10 40 CECB Cc1ccc(/N=N/c2nc3c(O)nc(N)nc3[nH]2)cc1 104218660 MUHHRJPYXLEUDL-VHEBQXMUSA-N 269.268 2.365 10 40 CECB O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)ccc12 12359395 YXNPLJZTPMOXKR-UHFFFAOYSA-N 286.239 2.282 10 40 CECB in-vitro Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1cccnc1 306141223 VOPZZWXRXNXRSG-UHFFFAOYSA-N 295.342 2.390 10 40 CECB COc1cc2c(c(O)c1CN(C)C)C(=O)CC(C)(C)O2 30822692 KZFFGVKMLHRMTH-UHFFFAOYSA-N 279.336 2.206 10 40 CECB COCCOc1ccc(N(C)CCn2cccn2)cc1 89346531 OVFUOSWZEIPTDM-UHFFFAOYSA-N 275.352 2.045 10 40 CECB O=C1N=C(N2CCOCC2)S/C1=C\c1cccc(F)c1 12591846 PWEASAGGEDOKLH-XFXZXTDPSA-N 292.335 2.128 10 40 CECB O=C(O)CCCN1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374584 CNADMNTYMCVTFI-CLFYSBASSA-N 296.373 2.081 10 40 CECB Nc1ccc(O)c(/N=N\c2ccc(S(N)(=O)=O)cc2)c1 104318416 UJRDNWBTCMPAQW-NXVVXOECSA-N 292.320 2.037 10 40 CECB CCOc1ccc(/N=N/c2c(N)nc(N)nc2O)cc1 16952168 QLVZKEZOATXCBJ-ISLYRVAYSA-N 274.284 2.161 10 40 CECB C/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccccc1 2864135 AYLFOHMZMYASEZ-QBFSEMIESA-N 288.372 2.379 10 40 CECB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](C)(O)CN=[N+]=[N-] 72207962 CSAQZOOOIYHMAO-CABZTGNLSA-N 270.333 2.447 10 40 CECB CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1cccc(Cl)c1 100013433 HRWZBMNGPMIXNH-ASLCJXLESA-N 295.755 2.254 10 40 CECB CN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S 27533810 FNVAWWLZBCWYKN-RMKNXTFCSA-N 275.358 2.394 10 40 CECB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(N)cc1 38055377 OPSAOJQQKFKQBU-SMDDNHRTSA-N 262.353 2.343 10 40 CECB O=C1NN=C/C1=C/Nc1ccccc1C(F)(F)F 3210168 WHCMTDYZOQGGHC-ALCCZGGFSA-N 255.199 2.117 10 40 CECB Cc1c(O)c(CNCCO)cc2c1oc(=O)c1ccccc12 9047990 YJODPRZSKNWMJK-UHFFFAOYSA-N 299.326 2.042 10 40 CECB c1cncc(COc2ccc(N3CCNCC3)cc2)c1 2527246 NQVGIYRLLXQAIL-UHFFFAOYSA-N 269.348 2.070 10 40 CECB in-vitro CS(=O)(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 21996464 RJECBBUZNVRUHI-UHFFFAOYSA-N 288.324 2.156 10 40 CECB CCOC(=O)C1CCN(Cc2ccc(N)cc2)CC1 78684667 UVUDNJXFMOTJFN-UHFFFAOYSA-N 262.353 2.044 10 40 CECB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cccc(C)c1 14406537 FOEULHCTFGDTLS-LCYFTJDESA-N 271.316 2.297 10 40 CECB Oc1ccc(CC2=NCCc3cc(O)c(O)cc32)cc1O 5015115 KSDGTGRBKWQATG-UHFFFAOYSA-N 285.299 2.097 10 40 CECB CCC(=O)c1ccc(/N=N\c2c(N)nc(N)nc2N)cc1 104091015 FAIRSUPDYBJXBG-VXPUYCOJSA-N 285.311 2.231 10 40 CECB COc1ccc(/C=C2\SC(=S)NC2=O)cc1 12368669 ORGCJYCWFZQEFX-TWGQIWQCSA-N 251.332 2.184 10 40 CECB in-vitro CC(C)(C)OC(=O)NCCc1ccc(O)c(O)c1 39374781 MBDFUYZNHQSWRD-UHFFFAOYSA-N 253.298 2.165 10 40 CECB in-vitro Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1C(C)C 409189216 MWCZOOPXOBACKS-KPKJPENVSA-N 261.325 2.208 10 40 CECB O=C1NC(=S)S/C1=C\NCc1ccc(Cl)cc1 20032734 GPXQORMBULVSKM-TWGQIWQCSA-N 284.793 2.419 10 40 CECB CC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)o1 1235708 CFZCJTJXYRDIKZ-WEVVVXLNSA-N 267.331 2.313 10 40 CECB CC[C@@H](CO)NCc1ccc(N(CC)CC)cc1 6870735 UONQRMPXTKIMIG-AWEZNQCLSA-N 250.386 2.393 10 40 CECB c1csc(SCCCNc2ncnc3[nH]cnc23)n1 95431085 JVAJUNJFBYIDKJ-UHFFFAOYSA-N 292.393 2.404 10 40 CECB O=C1c2ccccc2C(=O)c2c(NCCCO)cccc21 4137915 UATCOPKQRIWTHD-UHFFFAOYSA-N 281.311 2.256 10 40 CECB CC[C@@H](C(N)=O)N(C)Cc1ccc(N2CCCCC2)cc1 95978517 GFRJFFPKRSLIPZ-INIZCTEOSA-N 289.423 2.373 10 40 CECB O=C1C(=O)c2ccc3c(c2-c2cc4c(cc21)OCO4)OCO3 1588662 NTAGSBCPCOFOGM-UHFFFAOYSA-N 296.234 2.190 10 40 CECB Oc1ccccc1CNc1cnn(CC(F)F)c1 121713209 BZZTZCPZKGXCJX-UHFFFAOYSA-N 253.252 2.466 10 40 CECB CCC(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1 98080243 QJOUXSJOCWXDCV-UHFFFAOYSA-N 272.352 2.346 10 40 CECB CCc1ccc(/C=C2/C(=O)NC(=S)N=C2O)cc1 5911312 DRSLZTVROCTYPA-UHFFFAOYSA-N 260.318 2.004 10 40 CECB COc1ccc(OC)c(NC(=O)Cc2ccc(N)cc2)c1 19275947 GEXOQWDJTZVUAU-UHFFFAOYSA-N 286.331 2.467 10 40 CECB O=C(O)CN1C(=O)/C(=C/C=C/c2ccco2)SC1=S 13787747 DHRVUIHJMVTCDI-SJAMCSFMSA-N 295.341 2.122 10 40 CECB O=C1c2ccccc2C(=O)c2c1nnn2-c1ccccc1 1628353 KXGSYSDSQRXROA-UHFFFAOYSA-N 275.267 2.043 10 40 CECB CC(=O)Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O 4416174 WTODJCNVSBJCJT-UHFFFAOYSA-N 282.251 2.093 10 40 CECB CCOc1cccc([C@@H]2NC3(CCCC3)C(=O)N2C)c1O 69894468 PGBMFLRJSXJWHD-CQSZACIVSA-N 290.363 2.164 10 40 CECB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1C 33781900 CXEYITJDRLUUCO-GDNBJRDFSA-N 295.342 2.103 10 40 CECB CN(C)c1ccc(/C=C2\Sc3nccc[n+]3C2=O)cc1 5393674 LORJRYNUDYWYKJ-RAXLEYEMSA-N 284.364 2.222 10 40 CECB O=C(O)CCc1ccc(-c2ccc(F)cc2)n1CC(=O)O 94777 HSGWFJNNFBQUEX-UHFFFAOYSA-N 291.278 2.396 10 40 CECB Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)C(N)=O)cc1 4541517 GBNRMGKQBVYXBR-LBPRGKRZSA-N 286.331 2.125 10 40 CECB CC[C@H](C(N)=O)N(C)Cc1ccc(N2CCCCC2)cc1 95978518 GFRJFFPKRSLIPZ-MRXNPFEDSA-N 289.423 2.373 10 40 CECB CN(C)c1ccc(/C=C/C(=O)NC[C@H]2CCCOC2)cc1 55921013 GYDTVBHEXZRWCY-JOZWUWCOSA-N 288.391 2.309 10 40 CECB CC[C@@H](NC(=O)Cc1ccon1)c1ccccc1O 95445910 RVLJBWBJOXCKJF-GFCCVEGCSA-N 260.293 2.190 10 40 CECB CCn1c(-c2ccc(C)cc2)cnc1SCC(N)=O 8778592 LTFWJHPOIUGYHO-UHFFFAOYSA-N 275.377 2.456 10 40 CECB CN1CCN(c2ccc(CNC(=O)C(C)(C)C)cc2)CC1 49740614 PJDYDDKWIDNSEF-UHFFFAOYSA-N 289.423 2.101 10 40 CECB COc1ccc(N2CCOCC2)c(-n2cccc2)c1 226246016 VFLDGNWQCWKBKY-UHFFFAOYSA-N 258.321 2.323 10 40 CECB O=Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 3844573 IYBZUESRDPHVRV-UHFFFAOYSA-N 281.223 2.183 10 40 CECB biogenic CCOC(OCC)[C@@]1(OCC)C=C[C@@H](OCC)O1 255189463 PZLDVZDPEQTIFJ-WCQYABFASA-N 260.330 2.067 10 40 CECB C/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 8861700 DYWCWGFIJCYLCL-KRXBUXKQSA-N 273.379 2.396 10 40 CECB Cc1cn(CCF)nc1NCc1ccc(O)cc1O 256052968 PKAGLKMCLDDYMW-UHFFFAOYSA-N 265.288 2.184 10 40 CECB Cc1ccc(/C=C2/C(=O)NC(=O)N(C(C)(C)C)C2=O)s1 503448 IZXZYAVXAUDDJV-YFHOEESVSA-N 292.360 2.317 10 40 CECB C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(N)cc2)C1 20155123 GTACLQJOSMWOEY-VXGBXAGGSA-N 262.353 2.152 10 40 CECB Cc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)o1 1803623 JDZVWSRSJLGWJK-JGESFRBXSA-N 297.357 2.262 10 40 CECB Cc1ccc(O)c(C2=NNC(=O)[C@H]3CCCC[C@@H]23)c1 5542428 LWAHYQACONHMBQ-MNOVXSKESA-N 258.321 2.341 10 40 CECB COC(=O)CSc1nc(-c2ccc(O)c(O)c2)cs1 12422062 HAKKWKQXIMTANG-UHFFFAOYSA-N 297.357 2.486 10 40 CECB O=C1NN(c2ccccc2)C(=O)[C@H]1Sc1ccccc1 6667306 NTXLFRUCLZVSLT-ZDUSSCGKSA-N 284.340 2.225 10 40 CECB COc1ccc(N(CC(N)=O)Cc2ccccc2)cc1 10395113 VUNNDKZSURNNHV-UHFFFAOYSA-N 270.332 2.187 10 40 CECB CC(C)n1ccc(CNCc2ccc(O)cc2O)n1 256051521 JLVQJORZKHYXDK-UHFFFAOYSA-N 261.325 2.165 10 40 CECB CCCN(Cc1ccccc1O)C(=O)NCCCOC 69419926 STYXGLAGTUPUDW-UHFFFAOYSA-N 280.368 2.350 10 40 CECB Nc1nc(O)c2nc(/N=N\c3ccccc3)[nH]c2n1 104218642 NPENGZXGYSJPLZ-ZCXUNETKSA-N 255.241 2.056 10 40 CECB Nc1ccc(OCc2n[nH]c(-c3cccnc3)n2)cc1 62719556 JFXQTKIQRVCTDB-UHFFFAOYSA-N 267.292 2.028 10 40 CECB CC1=CC2=NC(=O)/C(=C/c3ccc(F)cc3)C(=N)N2O1 13811628 FDLYQWCBGYVXRI-ZQJZDCJSSA-N 271.251 2.276 10 40 CECB CC(=O)Nc1ccc(/C=C2/SC(=S)NC2=O)cc1 3141277 JOYWUPKLLQWEGW-UXBLZVDNSA-N 278.358 2.134 10 40 CECB Cc1ccc(/N=N/c2c(N)nc(N)nc2O)cc1C 18057723 FCHDBYLTKFQLQO-ISLYRVAYSA-N 258.285 2.379 10 40 CECB CN1CCCc2cc(CNC(=O)C3CCC3)ccc21 58291948 MNFSWKMOYSIUSV-UHFFFAOYSA-N 258.365 2.485 10 40 CECB O=C(O)[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 20357904 KDSVTGJJKBHYGR-MRVPVSSYSA-N 275.226 2.496 10 40 CECB O=C1NN(c2ccccc2)C(=O)/C1=C\C=C\c1ccco1 5123962 PTDRFTNUSKZRCZ-NDUUIVGLSA-N 280.283 2.297 10 40 CECB COC(=O)C[C@H]1SC(=S)N(C2CCCCC2)C1=O 219781330 KKHIXKQBOVIBOT-SECBINFHSA-N 287.406 2.111 10 40 CECB Nc1ccc(OCc2n[nH]c(-c3ccco3)n2)cc1 62719566 OPQRCRFVDHCABK-UHFFFAOYSA-N 256.265 2.226 10 40 CECB CCOC(OCC)[C@]1(OCC)C=C[C@H](OCC)O1 255189464 PZLDVZDPEQTIFJ-YPMHNXCESA-N 260.330 2.067 10 40 CECB CCCN1C(=O)/C(=C/c2cc(C)n(C)c2C)NC1=S 479217 QWOYMHXAYUALLO-WQLSENKSSA-N 277.393 2.110 10 40 CECB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1O 1307925 STSAAAUFRTUEEI-POHAHGRESA-N 281.358 2.232 10 40 CECB CC(=O)Nc1nc(-c2sc(N)nc2C)cs1 11919414 GKTUSGINNHEBKJ-UHFFFAOYSA-N 254.340 2.116 10 40 CECB CCCS(=O)(=O)N(C)[C@H](C)c1ccccc1O 38089851 IEOPTPZJJRHOKL-SNVBAGLBSA-N 257.355 2.125 10 40 CECB CCn1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cn1 17022459 MXGYRJPPIZKRKT-XYOKQWHBSA-N 290.392 2.359 10 40 CECB O=C1c2ccccc2C(=O)c2sc3nc(=O)sc-3cc21 32597769 GXCHGNRASGQSTG-UHFFFAOYSA-N 299.332 2.445 10 40 CECB Cc1ccc(/C=C2\SC(=S)N(CO)C2=O)cc1 13562407 MKYARKVCIKGFFZ-POHAHGRESA-N 265.359 2.146 10 40 CECB O=C(C(=O)c1ccc2c(c1)OCO2)c1ccccc1 1710964 XXAOIBGBFLUUJS-UHFFFAOYSA-N 254.241 2.481 10 40 CECB Oc1cccc(CNCCc2ccc(O)c(O)c2)c1 3847223 OXXVNKKPUVETHL-UHFFFAOYSA-N 259.305 2.136 10 40 CECB biogenic CC(C)(C)c1cc(Cl)c(O)c(CNCCO)c1 1706326 FOJIEXPSXCEXKD-UHFFFAOYSA-N 257.761 2.425 10 40 CECB CC(=O)N1c2cc(/N=N/N(C)C)ccc2NC(=O)C[C@H]1C 5822950 XCTVTCKRJJTLHD-KAYFXNEYSA-N 289.339 2.331 10 40 CECB CC(C)(C)c1cnc(SCCNS(C)(=O)=O)s1 89725220 YQBCBLHFKJYNBC-UHFFFAOYSA-N 294.467 2.082 10 40 CECB CCNC(=S)N(Cc1ccccc1O)C[C@H]1CCCO1 7659516 JHYDULGAHAUDHW-CYBMUJFWSA-N 294.420 2.268 10 40 CECB O=C1Nc2ccccc2[C@@]12CCN[C@@H]2c1ccc(O)c(O)c1 62001420 GYQMBGLYRVEOLL-NVXWUHKLSA-N 296.326 2.022 10 40 CECB biogenic CC(=O)O[C@@H]1C=CC[C@H]2C(=O)c3ccccc3C(=O)[C@H]12 138595676 PDHNFPLKSCJFCX-MCIONIFRSA-N 270.284 2.190 10 40 CECB O=C(O)c1ccc2c(c1)C(=O)[C@H]1C=CC=C[C@@H]1C2=O 642882835 AONBVLIYHGCRMQ-UWVGGRQHSA-N 254.241 2.122 10 40 CECB Cc1cc(N)c2c(c1O)C(=O)c1ccccc1C2=O 4522777 UQVFLMWCXUOYSJ-UHFFFAOYSA-N 253.257 2.058 10 40 CECB CC1=NNC(=O)/C1=C/Nc1ccc(OC(F)(F)F)cc1 13396103 CNUUJKVEUNCMOA-UXBLZVDNSA-N 285.225 2.387 10 40 CECB Oc1cc2c(cc1O)[C@H](c1ccccc1F)NCC2 19691370 QRXMUHPUSWCTPZ-HNNXBMFYSA-N 259.280 2.472 10 40 CECB O=C(O)CCN1C(=O)/C(=C/c2ccsc2)SC1=S 96663448 OYJHUFNPBBSQTP-YVMONPNESA-N 299.398 2.424 10 40 CECB CN1CCCc2cc(CNC(=O)C[C@@H]3CCCO3)ccc21 58769751 CVBDMRMPGDNSDL-HNNXBMFYSA-N 288.391 2.254 10 40 CECB O=C(NC1=NN(c2ccccc2)C(=O)C1)c1ccccc1 84394935 SJWZAQBUFIDJQO-UHFFFAOYSA-N 279.299 2.167 10 40 CECB COC(C)(C)CCOC(=O)COc1ccc(N)cc1 20155096 JWCVEAAUAPWUKX-UHFFFAOYSA-N 267.325 2.006 10 40 CECB O=C(O)CCCN1C(=O)/C(=C/c2ccco2)SC1=S 966872 GVNQGVLYSOUCNH-CLFYSBASSA-N 297.357 2.346 10 40 CECB COCCc1ccc(CO)n1Cc1ccc(F)cc1 226030880 UEBYAEQIRUWJBS-UHFFFAOYSA-N 263.312 2.357 10 40 CECB Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1C1CC1 479398 JXIHJHXQVDFVFD-JYRVWZFOSA-N 289.404 2.469 10 40 CECB O=C1NC(=S)S/C1=C\C1=Cc2ccccc2OC1 5033160 SOCCRKZXYHAIPZ-WDZFZDKYSA-N 275.354 2.494 10 40 CECB CCOC(=O)CN1C(=O)/C(=C/c2ccco2)SC1=S 1277151 CDOIOUHYZITNLY-TWGQIWQCSA-N 297.357 2.044 10 40 CECB CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(F)cc1)C(=O)C2=O 4727501 LHXCYWIUALAIFS-BZNIZROVSA-N 289.306 2.339 10 40 CECB CN(C)c1ccc(CNC(=O)NCC2CC2)cc1F 58217812 HWVIMAAITQJRQW-UHFFFAOYSA-N 265.332 2.101 10 40 CECB Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 20265053 IANDZERBLXSPOG-UHFFFAOYSA-N 261.369 2.473 10 40 CECB in-vitro O=C(NCc1ccc(N2CCCCC2)cc1)c1cnccn1 58202470 BLKNBDFMDXRLBL-UHFFFAOYSA-N 296.374 2.397 10 40 CECB COc1cccc(CNCCCN2CCCCC2)c1O 20128777 XFMJWBJFKOXHKR-UHFFFAOYSA-N 278.396 2.366 10 40 CECB CCOc1cccc([C@H]2NC(=O)c3cccnc3N2)c1O 65607433 QOBRTILAKHCAAJ-CQSZACIVSA-N 285.303 2.040 10 40 CECB CN1CCc2cc(CN[C@H]3CCCC[C@@H]3O)ccc21 52002899 IZLBRRQLSXLIPW-HOCLYGCPSA-N 260.381 2.072 10 40 CECB CCN(CC)c1ccc(CNn2c(C)nnc2S)cc1 7365379 UDLPYGPPMSUNJL-UHFFFAOYSA-N 291.424 2.465 10 40 CECB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1 13111659 PKTTZLOKYWXRQV-KAMYIIQDSA-N 264.284 2.148 10 40 CECB CCOC(=O)C1=C(C)Nc2ccccc2[S@@]1=O 4054002 LICNNHIUDKUNBE-QGZVFWFLSA-N 251.307 2.014 10 40 CECB O=C1C(=O)[C@H](c2ccccc2)C(=O)[C@@H]1c1ccccc1 100021012 OHQNFRSPZUPPSG-OKILXGFUSA-N 264.280 2.275 10 40 CECB Nc1ccc(Cc2nc3cc(C(=O)O)ccc3[nH]2)cc1 9379609 LUSMSAJRZGXJCJ-UHFFFAOYSA-N 267.288 2.434 10 40 CECB Cc1ccc(C)c(NC(=O)C[C@H]2SC(=S)NC2=O)c1 34926800 LATRMEVOLOQTCF-SNVBAGLBSA-N 294.401 2.149 10 40 CECB COc1cc(O)c2c(=O)oc3c(O)c(O)cc(C)c3c2c1 40938655 BVYAURIYXKOUPX-UHFFFAOYSA-N 288.255 2.380 10 40 CECB biogenic CCN1C(=O)N/C(=C/c2cc(C)n(CC)c2C)C1=O 409236163 DOQSDKMEZGFNTF-XYOKQWHBSA-N 261.325 2.037 10 40 CECB Cn1nc(C2CC2)cc1NCc1ccc(O)cc1O 256053068 PVPWNYKUKPHUPG-UHFFFAOYSA-N 259.309 2.321 10 40 CECB CN(C)c1ccc([C@@H]2ON2[C@H]2CC[C@H](O)CC2)cc1 585162784 XKCSOGROYPJLOO-CKSGOKGCSA-N 262.353 2.302 10 40 CECB CCOC(=O)c1sc2nc(SC)ncc2c1O 21298555 BVEKTTYQGDZSLL-UHFFFAOYSA-N 270.335 2.296 10 40 CECB NN[C@H](c1ccccc1)c1ccc(N2CCOCC2)cc1 228933783 BNSVQBMXLLJRQJ-QGZVFWFLSA-N 283.375 2.076 10 40 CECB O=C1Nc2ccccc2[C@@]12NN=C(c1ccccc1O)S2 94313 RNFUTSZNDACRPE-HNNXBMFYSA-N 297.339 2.195 10 40 CECB C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 27331325 AUUYEGARRSUMMT-STQMWFEESA-N 291.395 2.071 10 40 CECB Cc1cc(CN)c(C)n1-c1ccc2c(c1)OCCO2 34936147 UQTWTTWDDWJPCM-UHFFFAOYSA-N 258.321 2.324 10 40 CECB Cc1ccc(/N=N/c2c(=O)[nH]n3c(=O)cc(C)[nH]c23)cc1 103674776 OXPIXGHCQPZWMJ-WUKNDPDISA-N 283.291 2.348 10 40 CECB CCOC(=O)[C@@H]1Nc2c(O)cccc2[C@@H]2C=CC[C@H]12 101170462 VTFJMPZCUSAADD-NURSFMCSSA-N 259.305 2.409 10 40 CECB CCCN(c1ccc(OC)cc1OC)[C@@H](C)C(=O)O 225000416 HGXBTFHWDMYOOY-JTQLQIEISA-N 267.325 2.393 10 40 CECB N[C@H](CC(=O)O)c1cc(Cl)cc(Cl)c1O 2586218 BRFAIKLOYWPAPR-SSDOTTSWSA-N 250.081 2.174 10 40 CECB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccoc1 9165047 IOVDPPUONXZYJD-XYOKQWHBSA-N 298.323 2.111 10 40 CECB CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2O)SC1=S 33319503 DYPMEUSUFWXBDB-YVMONPNESA-N 296.329 2.131 10 40 CECB O=C1C/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1 9051601 RLUHQBYYAFIGIW-XYOKQWHBSA-N 295.294 2.445 10 40 CECB Nc1ccc(CCNC[C@@H](O)c2ccccc2)cc1 98181741 TUAHDMSPHZSMQN-MRXNPFEDSA-N 256.349 2.135 10 40 CECB in-vitro O=C(COc1ccccc1F)c1ccc(O)c(O)c1O 26770358 CSDGDCIGKSFQIH-UHFFFAOYSA-N 278.235 2.204 10 40 CECB CCn1cc(CNCc2ccc(N(C)C)cc2)cn1 20351212 RRNNFSLJPGZQPD-UHFFFAOYSA-N 258.369 2.259 10 40 CECB C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CCC1 97098118 RMPFNNVBQBJVPJ-SNVBAGLBSA-N 263.337 2.335 10 40 CECB O=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1F 12591851 HHKPJHSJIVFVHW-XFXZXTDPSA-N 292.335 2.128 10 40 CECB CCOC(=O)c1cccc2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@@H]21 58850755 ASSCHJBTRZLIKT-NURSFMCSSA-N 287.315 2.402 10 40 CECB COCc1cc(C)nc2sc(C(=O)O)c(N)c12 19851590 DZICNDGCVYVDNU-UHFFFAOYSA-N 252.295 2.032 10 40 CECB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/N1CCOCC1 32109903 NGWGHRWTFHYGSY-LFIBNONCSA-N 299.374 2.242 10 40 CECB C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S 1774411 GFGSSPUNEUQZRU-LRUQUBRESA-N 293.369 2.361 10 40 CECB O=C(O)CN1C(=O)/C(=C\[C@@H]2CC=CCC2)SC1=S 5376479 NAEDSAXIBWILRE-GTUWVTDSSA-N 283.374 2.172 10 40 CECB Cc1nc(C=S(C)(C)=O)cc(C2CCCC2)n1 218794883 LYUYXVKGYKEZLU-UHFFFAOYSA-N 252.383 2.137 10 40 CECB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(N)cc1 38055375 OPSAOJQQKFKQBU-FZMZJTMJSA-N 262.353 2.343 10 40 CECB COc1ccc(/C=C2/SC(=S)NC2=O)cc1[N+](=O)[O-] 5201147 URJKMSLAZVCHDK-WEVVVXLNSA-N 296.329 2.092 10 40 CECB NC1=NC(=O)/C(=C\c2ccnc3ccccc23)S1 17299673 MBHBIJDGRZJPJU-YRNVUSSQSA-N 255.302 2.164 10 40 CECB COc1ccc(CC(=O)Nc2ccc(N)cc2)cc1 19266109 YSQQSEIITXAOFS-UHFFFAOYSA-N 256.305 2.459 10 40 CECB CCN1C(=O)/C(=C/c2cccnc2)SC1=S 13214869 BXVWDRQDNRGBSS-TWGQIWQCSA-N 250.348 2.303 10 40 CECB CN(C)c1ccc(CNCc2ccnn2CCF)cc1 256051880 KWKHTRJLBCZLJN-UHFFFAOYSA-N 276.359 2.208 10 40 CECB CN1C(=O)/C(=C/Nc2cccc(O)c2)SC1=S 100265129 PONVMDOSRBCCDR-TWGQIWQCSA-N 266.347 2.136 10 40 CECB CN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1021720 CCWKDSPKUCORRF-TWGQIWQCSA-N 251.332 2.223 10 40 CECB Cc1n[nH]c(C(F)(F)F)c1/N=N\N1CCOCC1 16932199 ZCMKKFLZOGVHPV-PEZBUJJGSA-N 263.223 2.068 10 40 CECB Cc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)o1 1803625 JDZVWSRSJLGWJK-AJQDLKILSA-N 297.357 2.262 10 40 CECB OCC1CCN(c2ccc(CNc3ncccn3)cc2)CC1 48367530 GDLGZLAFBDQHIJ-UHFFFAOYSA-N 298.390 2.297 10 40 CECB CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 4245166 QLBLLPHHKLJIQF-COPLHBTASA-N 272.304 2.183 10 40 CECB CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4245168 QLBLLPHHKLJIQF-MISXGVKJSA-N 272.304 2.183 10 40 CECB COc1cc(OC)c2c(c1OC)C(=O)c1ccccc1C2=O 5320452 ZYGLYUJWEUEICT-UHFFFAOYSA-N 298.294 2.488 10 40 CECB C[C@H]1CN2CCC[C@@H]2CN1Cc1ccc(N(C)C)cc1 72324442 XWYITMWUDZKIDE-WMLDXEAASA-N 273.424 2.421 10 40 CECB Cc1cc(C(=O)C(=O)O)c(C)n1-c1ccc2cn[nH]c2c1 4025517 QBQBLXIEUWDNFI-UHFFFAOYSA-N 283.287 2.238 10 40 CECB CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(CN)cc2)C1 26896410 QQSIMCRQAPSTTN-CYBMUJFWSA-N 291.395 2.249 10 40 CECB O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(O)c1 58866028 JTNRBSWKCRIFJE-UHFFFAOYSA-N 274.272 2.146 10 40 CECB COc1ccc(N2N=C(C)/C(=C(\C)NC3CC3)C2=O)cc1 100422745 HKEUKEGNLYUVEV-GDNBJRDFSA-N 285.347 2.444 10 40 CECB Nc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1 19726943 WSTSJMUNOLJYDB-UHFFFAOYSA-N 266.300 2.108 10 40 CECB COC(=O)/C=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5393808 XGPFOAPFJIMDRS-FNORWQNLSA-N 276.292 2.381 10 40 CECB O=C(O)C(=S)C[C@@H]1CCC[C@@H](CC(=S)C(=O)O)C1 68563783 BQVMJKMMOYKPCI-HTQZYQBOSA-N 288.390 2.482 10 40 CECB COC(=O)c1cccc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@H]21 5611467 MVRAHNKBSITDJL-JQEORGNBSA-N 273.288 2.012 10 40 CECB COc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 58866032 CLGTWTRZNMUKTN-UHFFFAOYSA-N 288.299 2.449 10 40 CECB CN(Cc1ccccc1)C[C@H](O)c1ccc(O)c(O)c1 77272636 YENHZTNWVCNPRW-INIZCTEOSA-N 273.332 2.263 10 40 CECB in-vitro CC(=O)NC1=NC(=O)/C(=C/Nc2ccccc2C)S1 618255146 PFDVBIUYNWNNDQ-XFFZJAGNSA-N 275.333 2.014 10 40 CECB N[C@H]1C[C@H]2CCCC[C@H]2C[C@]1(O)c1ccc(O)c(O)c1 5385390 CDYZURNKDCBCAG-OVTCNUJSSA-N 277.364 2.213 10 40 CECB Nc1ccc(NC(=O)COc2ccccc2F)cc1 22176502 RXNOMYYEGGAHDP-UHFFFAOYSA-N 260.268 2.425 10 40 CECB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H](O)CN=[N+]=[N-] 72207817 CYFDWIGNSXJDLH-BDAKNGLRSA-N 256.306 2.057 10 40 CECB CCN(CC)C(=O)C1CCN(Cc2ccccc2O)CC1 6493413 GSNNJNVVSYRZIU-UHFFFAOYSA-N 290.407 2.473 10 40 CECB CS(=O)(=O)N(Cc1ccc(N)cc1)c1ccccc1 225403182 PCHZAPIFQNZVPK-UHFFFAOYSA-N 276.361 2.235 10 40 CECB Cc1ccc(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 244517 CHAZFPQECCPFQK-UHFFFAOYSA-N 259.261 2.491 10 40 CECB Nc1ccc(Oc2ccc(S(=O)(=O)O)cc2)cc1 1596933 WUATXTZXBBEMCN-UHFFFAOYSA-N 265.290 2.308 10 40 CECB CN(CCOCCOCCN=[N+]=[N-])C(=O)OC(C)(C)C 1857524239 RLEVTQIEDBSNOI-UHFFFAOYSA-N 288.348 2.197 10 40 CECB O=C1OCC[C@@H]1N1CCCc2cc(OC(F)F)ccc21 65597320 MENKSAMTGJSTGX-LBPRGKRZSA-N 283.274 2.356 10 40 CECB Cc1oc2c(c1C(=O)O)C(=O)c1ccccc1C2=O 65262 DGUNRTJCCAANGI-UHFFFAOYSA-N 256.213 2.062 10 40 CECB O=C1NC(=S)S/C1=C\c1cnc2ccccc2n1 8220427 XUUMNYDGUHORQI-YHYXMXQVSA-N 273.342 2.119 10 40 CECB C[C@H](O)CN(Cc1c(O)ccc2ccccc12)C[C@H](C)O 1679459 GJVXIIDAOYGDNX-STQMWFEESA-N 289.375 2.109 10 40 CECB CN(C)C(=O)c1cc(Oc2ccc(N)cc2)ccn1 35672900 KFFKMBWNWNRVEB-UHFFFAOYSA-N 257.293 2.158 10 40 CECB CCOC(OCC)[C@]1(OCC)C=C[C@@H](OCC)O1 255189461 PZLDVZDPEQTIFJ-AAEUAGOBSA-N 260.330 2.067 10 40 CECB Cc1cccc(CN[C@@H](CO)Cc2ccccc2)c1O 154782976 AXPNTWYDLSWJEE-MRXNPFEDSA-N 271.360 2.394 10 40 CECB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccncc1 58856477 CNRZNZLGPYVWNP-UHFFFAOYSA-N 273.288 2.225 10 40 CECB C[C@H]1CN(C(=O)/C=C/c2ccc(N(C)C)cc2)C[C@H](C)O1 29107204 MBXGTLPJLSGQJD-MUNSZCJHSA-N 288.391 2.402 10 40 CECB COC(C)(C)CCOC(=O)Cc1ccc(N)cc1 20154907 WWRFFDQRTFJAOV-UHFFFAOYSA-N 251.326 2.170 10 40 CECB CC(=O)N[C@H]1CCCN(Cc2cc(C)c(C)cc2O)C1 48621598 ZWNNKDPXWCYMES-HNNXBMFYSA-N 276.380 2.110 10 40 CECB Cc1n[nH]c(=S)n1NCc1ccc(N(C)C)cc1 5926990 VQPQLPJWPYDJQN-UHFFFAOYSA-N 263.370 2.059 10 40 CECB CCOC(=O)c1cc2c(N)c(C(=O)OC)sc2nc1C 32929443 CJSMMBCFKFLBHG-UHFFFAOYSA-N 294.332 2.150 10 40 CECB CC[C@H](NC(=O)c1csnn1)c1ccccc1O 95445907 RATGGKFCFOWGBZ-VIFPVBQESA-N 263.322 2.125 10 40 CECB O=C(c1ccc(O)c(O)c1)N1CCc2cc(F)ccc2C1 97050773 RHZNYDAKVOZNKU-UHFFFAOYSA-N 287.290 2.435 10 40 CECB Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 185390672 DRCROQUYLYXIJE-VIFPVBQESA-N 275.304 2.360 10 40 CECB COC(=O)c1cccc2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@@H]21 5798270 MVRAHNKBSITDJL-GMOODISLSA-N 273.288 2.012 10 40 CECB Cc1cccc(/C=C2/SC(=S)NC2=O)c1O 2120248 HGGMOCOECSNFSM-VMPITWQZSA-N 251.332 2.189 10 40 CECB COc1ccc(CN2C[C@@H](CN=[N+]=[N-])CC2=O)cc1 1888999951 QLNBEVIFXFRRSP-LLVKDONJSA-N 260.297 2.354 10 40 CECB Cc1ccc(O)c(CNCc2c(C)nn(C)c2C)c1 78638580 BDXYSBYMSQXVDV-UHFFFAOYSA-N 259.353 2.341 10 40 CECB O=[N+]([O-])c1ccc([C@H]2NCCc3cc(O)c(O)cc32)cc1 19691359 BVVKBFZPUJYGAY-OAHLLOKOSA-N 286.287 2.241 10 40 CECB CN1CCN(c2ccc([C@H](N)C(F)(F)F)cc2)CC1 72190892 JTRPOOADOFIEFY-LBPRGKRZSA-N 273.302 2.001 10 40 CECB COc1ccc(OC)c(N2C[C@H](CN=[N+]=[N-])CC2=O)c1 1889040938 GWPZJSRHBKQWNS-VIFPVBQESA-N 276.296 2.367 10 40 CECB COc1cc(N(C)Cc2nccn2C)cc(OC)c1OC 96424546 OEMMVCAPUNUFPT-UHFFFAOYSA-N 291.351 2.082 10 40 CECB Cc1ccsc1/C=C1/C(=O)N(C)C(=S)N=C1O 4671937 JGVPOYPATDMBCN-FNORWQNLSA-N 266.347 2.153 10 40 CECB O=C(O)C(=S)C[C@H]1CCC[C@H](CC(=S)C(=O)O)C1 68563788 BQVMJKMMOYKPCI-YUMQZZPRSA-N 288.390 2.482 10 40 CECB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1C[C@@H]1CCCO1 409134536 SAPZQEOOIMCCIW-QBQSQJOESA-N 294.401 2.395 10 40 CECB CN(C)CCOc1cc2c3c(c1)CCCN3CCC2 33898233 ACJWFMRGLPVPPI-UHFFFAOYSA-N 260.381 2.326 10 40 CECB